Program PWSCF v.5.1.1 starts on 26Nov2015 at 15:14:43 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Ge2N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 29 8 1895 833 128 Max 52 30 9 1898 846 133 Sum 2473 1437 413 91015 40215 6243 bravais-lattice index = 14 lattice parameter (alat) = 10.3433 a.u. unit-cell volume = 923.1038 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.343267 celldm(2)= 1.000000 celldm(3)= 0.932689 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.447232 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.447232 0.894418 0.000000 ) a(3) = ( 0.000000 0.000000 0.932689 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.500026 -0.000000 ) b(2) = ( 0.000000 1.118046 -0.000000 ) b(3) = ( 0.000000 0.000000 1.072169 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4663445 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090918 0.0147111 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0181835 0.0294222 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0272753 0.0441334 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0363671 0.0588445 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0454588 0.0735556 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0545506 0.0882668 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0636424 0.1029779 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0727341 0.1176890 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0818259 0.1324001 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0909177 0.1471113 -0.0000000), wk = 0.0028249 k( 12) = ( 0.1000094 0.1618224 -0.0000000), wk = 0.0028249 k( 13) = ( 0.1091012 0.1765335 -0.0000000), wk = 0.0028249 k( 14) = ( 0.1181930 0.1912446 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272847 0.2059557 -0.0000000), wk = 0.0028249 k( 16) = ( 0.1363765 0.2206669 -0.0000000), wk = 0.0028249 k( 17) = ( 0.1454683 0.2353780 -0.0000000), wk = 0.0028249 k( 18) = ( 0.1545600 0.2500891 -0.0000000), wk = 0.0028249 k( 19) = ( 0.1636518 0.2648003 -0.0000000), wk = 0.0028249 k( 20) = ( 0.1727435 0.2795114 -0.0000000), wk = 0.0028249 k( 21) = ( 0.1818353 0.2942225 -0.0000000), wk = 0.0028249 k( 22) = ( 0.1909271 0.3089336 -0.0000000), wk = 0.0028249 k( 23) = ( 0.2000188 0.3236447 -0.0000000), wk = 0.0028249 k( 24) = ( 0.2091106 0.3383559 -0.0000000), wk = 0.0028249 k( 25) = ( 0.2182024 0.3530670 -0.0000000), wk = 0.0028249 k( 26) = ( 0.2272942 0.3677781 -0.0000000), wk = 0.0028249 k( 27) = ( 0.2363859 0.3824892 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2454777 0.3972004 -0.0000000), wk = 0.0028249 k( 29) = ( 0.2545694 0.4119115 -0.0000000), wk = 0.0028249 k( 30) = ( 0.2636612 0.4266226 -0.0000000), wk = 0.0028249 k( 31) = ( 0.2727530 0.4413338 -0.0000000), wk = 0.0028249 k( 32) = ( 0.2818447 0.4560449 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2909365 0.4707560 -0.0000000), wk = 0.0028249 k( 34) = ( 0.3000283 0.4854671 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3091200 0.5001782 -0.0000000), wk = 0.0028249 k( 36) = ( 0.3182118 0.5148894 -0.0000000), wk = 0.0028249 k( 37) = ( 0.3273036 0.5296005 -0.0000000), wk = 0.0028249 k( 38) = ( 0.3363953 0.5443116 -0.0000000), wk = 0.0028249 k( 39) = ( 0.3454871 0.5590228 -0.0000000), wk = 0.0028249 k( 40) = ( 0.3454871 0.5590228 -0.0000000), wk = 0.0028249 k( 41) = ( 0.3282127 0.5590227 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3109384 0.5590228 -0.0000000), wk = 0.0028249 k( 43) = ( 0.2936640 0.5590228 -0.0000000), wk = 0.0028249 k( 44) = ( 0.2763897 0.5590227 -0.0000000), wk = 0.0028249 k( 45) = ( 0.2591153 0.5590228 -0.0000000), wk = 0.0028249 k( 46) = ( 0.2418410 0.5590227 -0.0000000), wk = 0.0028249 k( 47) = ( 0.2245666 0.5590228 -0.0000000), wk = 0.0028249 k( 48) = ( 0.2072923 0.5590227 -0.0000000), wk = 0.0028249 k( 49) = ( 0.1900179 0.5590228 -0.0000000), wk = 0.0028249 k( 50) = ( 0.1727435 0.5590227 -0.0000000), wk = 0.0028249 k( 51) = ( 0.1554692 0.5590228 -0.0000000), wk = 0.0028249 k( 52) = ( 0.1381948 0.5590227 -0.0000000), wk = 0.0028249 k( 53) = ( 0.1209205 0.5590228 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1036461 0.5590227 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863718 0.5590228 -0.0000000), wk = 0.0028249 k( 56) = ( 0.0690974 0.5590227 -0.0000000), wk = 0.0028249 k( 57) = ( 0.0518231 0.5590228 -0.0000000), wk = 0.0028249 k( 58) = ( 0.0345487 0.5590227 -0.0000000), wk = 0.0028249 k( 59) = ( 0.0172744 0.5590228 -0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5590228 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5590228 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5590228 0.0172930), wk = 0.0028249 k( 63) = ( 0.0000000 0.5590228 0.0345861), wk = 0.0028249 k( 64) = ( 0.0000000 0.5590228 0.0518791), wk = 0.0028249 k( 65) = ( 0.0000000 0.5590228 0.0691722), wk = 0.0028249 k( 66) = ( 0.0000000 0.5590228 0.0864652), wk = 0.0028249 k( 67) = ( 0.0000000 0.5590228 0.1037583), wk = 0.0028249 k( 68) = ( 0.0000000 0.5590228 0.1210513), wk = 0.0028249 k( 69) = ( 0.0000000 0.5590228 0.1383444), wk = 0.0028249 k( 70) = ( 0.0000000 0.5590228 0.1556374), wk = 0.0028249 k( 71) = ( 0.0000000 0.5590228 0.1729304), wk = 0.0028249 k( 72) = ( 0.0000000 0.5590228 0.1902235), wk = 0.0028249 k( 73) = ( 0.0000000 0.5590228 0.2075165), wk = 0.0028249 k( 74) = ( 0.0000000 0.5590228 0.2248096), wk = 0.0028249 k( 75) = ( 0.0000000 0.5590228 0.2421026), wk = 0.0028249 k( 76) = ( 0.0000000 0.5590228 0.2593957), wk = 0.0028249 k( 77) = ( 0.0000000 0.5590228 0.2766887), wk = 0.0028249 k( 78) = ( 0.0000000 0.5590228 0.2939818), wk = 0.0028249 k( 79) = ( 0.0000000 0.5590228 0.3112748), wk = 0.0028249 k( 80) = ( 0.0000000 0.5590228 0.3285678), wk = 0.0028249 k( 81) = ( 0.0000000 0.5590228 0.3458609), wk = 0.0028249 k( 82) = ( 0.0000000 0.5590228 0.3631539), wk = 0.0028249 k( 83) = ( 0.0000000 0.5590228 0.3804470), wk = 0.0028249 k( 84) = ( 0.0000000 0.5590228 0.3977400), wk = 0.0028249 k( 85) = ( 0.0000000 0.5590228 0.4150331), wk = 0.0028249 k( 86) = ( 0.0000000 0.5590228 0.4323261), wk = 0.0028249 k( 87) = ( 0.0000000 0.5590228 0.4496192), wk = 0.0028249 k( 88) = ( 0.0000000 0.5590228 0.4669122), wk = 0.0028249 k( 89) = ( 0.0000000 0.5590228 0.4842052), wk = 0.0028249 k( 90) = ( 0.0000000 0.5590228 0.5014983), wk = 0.0028249 k( 91) = ( 0.0000000 0.5590228 0.5187913), wk = 0.0028249 k( 92) = ( 0.0000000 0.5590228 0.5360844), wk = 0.0028249 k( 93) = ( 0.0000000 0.5590228 0.5360844), wk = 0.0028249 k( 94) = ( 0.0172744 0.5590228 0.5360844), wk = 0.0028249 k( 95) = ( 0.0345487 0.5590227 0.5360844), wk = 0.0028249 k( 96) = ( 0.0518231 0.5590228 0.5360844), wk = 0.0028249 k( 97) = ( 0.0690974 0.5590227 0.5360844), wk = 0.0028249 k( 98) = ( 0.0863718 0.5590228 0.5360844), wk = 0.0028249 k( 99) = ( 0.1036461 0.5590227 0.5360844), wk = 0.0028249 k( 100) = ( 0.1209205 0.5590228 0.5360844), wk = 0.0028249 k( 101) = ( 0.1381948 0.5590227 0.5360844), wk = 0.0028249 k( 102) = ( 0.1554692 0.5590228 0.5360844), wk = 0.0028249 k( 103) = ( 0.1727435 0.5590227 0.5360844), wk = 0.0028249 k( 104) = ( 0.1900179 0.5590228 0.5360844), wk = 0.0028249 k( 105) = ( 0.2072923 0.5590227 0.5360844), wk = 0.0028249 k( 106) = ( 0.2245666 0.5590228 0.5360844), wk = 0.0028249 k( 107) = ( 0.2418410 0.5590227 0.5360844), wk = 0.0028249 k( 108) = ( 0.2591153 0.5590228 0.5360844), wk = 0.0028249 k( 109) = ( 0.2763897 0.5590227 0.5360844), wk = 0.0028249 k( 110) = ( 0.2936640 0.5590228 0.5360844), wk = 0.0028249 k( 111) = ( 0.3109384 0.5590228 0.5360844), wk = 0.0028249 k( 112) = ( 0.3282127 0.5590227 0.5360844), wk = 0.0028249 k( 113) = ( 0.3454871 0.5590228 0.5360844), wk = 0.0028249 k( 114) = ( 0.3454871 0.5590228 0.5360844), wk = 0.0028249 k( 115) = ( 0.3363953 0.5443116 0.5360844), wk = 0.0028249 k( 116) = ( 0.3273036 0.5296005 0.5360844), wk = 0.0028249 k( 117) = ( 0.3182118 0.5148894 0.5360844), wk = 0.0028249 k( 118) = ( 0.3091200 0.5001782 0.5360844), wk = 0.0028249 k( 119) = ( 0.3000283 0.4854671 0.5360844), wk = 0.0028249 k( 120) = ( 0.2909365 0.4707560 0.5360844), wk = 0.0028249 k( 121) = ( 0.2818447 0.4560449 0.5360844), wk = 0.0028249 k( 122) = ( 0.2727530 0.4413338 0.5360844), wk = 0.0028249 k( 123) = ( 0.2636612 0.4266226 0.5360844), wk = 0.0028249 k( 124) = ( 0.2545694 0.4119115 0.5360844), wk = 0.0028249 k( 125) = ( 0.2454777 0.3972004 0.5360844), wk = 0.0028249 k( 126) = ( 0.2363859 0.3824892 0.5360844), wk = 0.0028249 k( 127) = ( 0.2272942 0.3677781 0.5360844), wk = 0.0028249 k( 128) = ( 0.2182024 0.3530670 0.5360844), wk = 0.0028249 k( 129) = ( 0.2091106 0.3383559 0.5360844), wk = 0.0028249 k( 130) = ( 0.2000188 0.3236447 0.5360844), wk = 0.0028249 k( 131) = ( 0.1909271 0.3089336 0.5360844), wk = 0.0028249 k( 132) = ( 0.1818353 0.2942225 0.5360844), wk = 0.0028249 k( 133) = ( 0.1727435 0.2795114 0.5360844), wk = 0.0028249 k( 134) = ( 0.1636518 0.2648003 0.5360844), wk = 0.0028249 k( 135) = ( 0.1545600 0.2500891 0.5360844), wk = 0.0028249 k( 136) = ( 0.1454683 0.2353780 0.5360844), wk = 0.0028249 k( 137) = ( 0.1363765 0.2206669 0.5360844), wk = 0.0028249 k( 138) = ( 0.1272847 0.2059557 0.5360844), wk = 0.0028249 k( 139) = ( 0.1181930 0.1912446 0.5360844), wk = 0.0028249 k( 140) = ( 0.1091012 0.1765335 0.5360844), wk = 0.0028249 k( 141) = ( 0.1000094 0.1618224 0.5360844), wk = 0.0028249 k( 142) = ( 0.0909177 0.1471113 0.5360844), wk = 0.0028249 k( 143) = ( 0.0818259 0.1324001 0.5360844), wk = 0.0028249 k( 144) = ( 0.0727341 0.1176890 0.5360844), wk = 0.0028249 k( 145) = ( 0.0636424 0.1029779 0.5360844), wk = 0.0028249 k( 146) = ( 0.0545506 0.0882668 0.5360844), wk = 0.0028249 k( 147) = ( 0.0454588 0.0735556 0.5360844), wk = 0.0028249 k( 148) = ( 0.0363671 0.0588445 0.5360844), wk = 0.0028249 k( 149) = ( 0.0272753 0.0441334 0.5360844), wk = 0.0028249 k( 150) = ( 0.0181835 0.0294222 0.5360844), wk = 0.0028249 k( 151) = ( 0.0090918 0.0147111 0.5360844), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5360844), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5360844), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.5187913), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.5014983), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4842052), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4669122), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4496192), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4323261), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.4150331), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3977400), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3804470), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3631539), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3458609), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3285678), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.3112748), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2939818), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2766887), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2593957), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2421026), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2248096), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.2075165), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1902235), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1729304), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1556374), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1383444), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1210513), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.1037583), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0864652), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0691722), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0518791), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0345861), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0172930), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0090885 0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0181770 0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0272656 0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0363541 0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0454426 0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0545312 0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.0636197 0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.0727082 0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.0817967 0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.0908853 0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.0999738 0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1090623 0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1181508 0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.1272394 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.1363279 0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.1454164 0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.1545049 0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.1635935 0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.1726820 0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.1817705 0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.1908590 0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.1999476 0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.2090361 0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.2181246 0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.2272131 0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.2363017 0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.2453902 0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.2544787 0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.2635673 0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.2726558 0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.2817443 0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.2908328 0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.2999214 0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.3090099 0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.3090099 0.0000000), wk = 0.0028249 k( 221) = ( -0.4909110 0.3237165 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4818220 0.3384232 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4727330 0.3531298 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4636440 0.3678364 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4545550 0.3825431 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4454660 0.3972497 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4363770 0.4119564 -0.0000000), wk = 0.0028249 k( 228) = ( -0.4272880 0.4266630 -0.0000000), wk = 0.0028249 k( 229) = ( -0.4181991 0.4413696 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4091101 0.4560763 -0.0000000), wk = 0.0028249 k( 231) = ( -0.4000211 0.4707829 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3909321 0.4854896 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3818431 0.5001962 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3727541 0.5149028 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3636651 0.5296095 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3545761 0.5443161 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3454871 0.5590227 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3454871 0.5590227 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3454871 0.5590227 0.0172930), wk = 0.0028249 k( 240) = ( -0.3454871 0.5590227 0.0345861), wk = 0.0028249 k( 241) = ( -0.3454871 0.5590227 0.0518791), wk = 0.0028249 k( 242) = ( -0.3454871 0.5590227 0.0691722), wk = 0.0028249 k( 243) = ( -0.3454871 0.5590227 0.0864652), wk = 0.0028249 k( 244) = ( -0.3454871 0.5590227 0.1037583), wk = 0.0028249 k( 245) = ( -0.3454871 0.5590227 0.1210513), wk = 0.0028249 k( 246) = ( -0.3454871 0.5590227 0.1383444), wk = 0.0028249 k( 247) = ( -0.3454871 0.5590227 0.1556374), wk = 0.0028249 k( 248) = ( -0.3454871 0.5590227 0.1729304), wk = 0.0028249 k( 249) = ( -0.3454871 0.5590227 0.1902235), wk = 0.0028249 k( 250) = ( -0.3454871 0.5590227 0.2075165), wk = 0.0028249 k( 251) = ( -0.3454871 0.5590227 0.2248096), wk = 0.0028249 k( 252) = ( -0.3454871 0.5590227 0.2421026), wk = 0.0028249 k( 253) = ( -0.3454871 0.5590227 0.2593957), wk = 0.0028249 k( 254) = ( -0.3454871 0.5590227 0.2766887), wk = 0.0028249 k( 255) = ( -0.3454871 0.5590227 0.2939818), wk = 0.0028249 k( 256) = ( -0.3454871 0.5590227 0.3112748), wk = 0.0028249 k( 257) = ( -0.3454871 0.5590227 0.3285678), wk = 0.0028249 k( 258) = ( -0.3454871 0.5590227 0.3458609), wk = 0.0028249 k( 259) = ( -0.3454871 0.5590227 0.3631539), wk = 0.0028249 k( 260) = ( -0.3454871 0.5590227 0.3804470), wk = 0.0028249 k( 261) = ( -0.3454871 0.5590227 0.3977400), wk = 0.0028249 k( 262) = ( -0.3454871 0.5590227 0.4150331), wk = 0.0028249 k( 263) = ( -0.3454871 0.5590227 0.4323261), wk = 0.0028249 k( 264) = ( -0.3454871 0.5590227 0.4496192), wk = 0.0028249 k( 265) = ( -0.3454871 0.5590227 0.4669122), wk = 0.0028249 k( 266) = ( -0.3454871 0.5590227 0.4842052), wk = 0.0028249 k( 267) = ( -0.3454871 0.5590227 0.5014983), wk = 0.0028249 k( 268) = ( -0.3454871 0.5590227 0.5187913), wk = 0.0028249 k( 269) = ( -0.3454871 0.5590227 0.5360844), wk = 0.0028249 k( 270) = ( -0.3454871 0.5590227 0.5360844), wk = 0.0028249 k( 271) = ( -0.3545761 0.5443161 0.5360844), wk = 0.0028249 k( 272) = ( -0.3636651 0.5296095 0.5360844), wk = 0.0028249 k( 273) = ( -0.3727541 0.5149028 0.5360844), wk = 0.0028249 k( 274) = ( -0.3818431 0.5001962 0.5360844), wk = 0.0028249 k( 275) = ( -0.3909321 0.4854896 0.5360844), wk = 0.0028249 k( 276) = ( -0.4000211 0.4707829 0.5360844), wk = 0.0028249 k( 277) = ( -0.4091101 0.4560763 0.5360844), wk = 0.0028249 k( 278) = ( -0.4181991 0.4413696 0.5360844), wk = 0.0028249 k( 279) = ( -0.4272880 0.4266630 0.5360844), wk = 0.0028249 k( 280) = ( -0.4363770 0.4119564 0.5360844), wk = 0.0028249 k( 281) = ( -0.4454660 0.3972497 0.5360844), wk = 0.0028249 k( 282) = ( -0.4545550 0.3825431 0.5360844), wk = 0.0028249 k( 283) = ( -0.4636440 0.3678364 0.5360844), wk = 0.0028249 k( 284) = ( -0.4727330 0.3531298 0.5360844), wk = 0.0028249 k( 285) = ( -0.4818220 0.3384232 0.5360844), wk = 0.0028249 k( 286) = ( -0.4909110 0.3237165 0.5360844), wk = 0.0028249 k( 287) = ( -0.5000000 0.3090099 0.5360844), wk = 0.0028249 k( 288) = ( -0.5000000 0.3090099 0.5360844), wk = 0.0028249 k( 289) = ( -0.5000000 0.3090099 0.5187913), wk = 0.0028249 k( 290) = ( -0.5000000 0.3090099 0.5014983), wk = 0.0028249 k( 291) = ( -0.5000000 0.3090099 0.4842052), wk = 0.0028249 k( 292) = ( -0.5000000 0.3090099 0.4669122), wk = 0.0028249 k( 293) = ( -0.5000000 0.3090099 0.4496192), wk = 0.0028249 k( 294) = ( -0.5000000 0.3090099 0.4323261), wk = 0.0028249 k( 295) = ( -0.5000000 0.3090099 0.4150331), wk = 0.0028249 k( 296) = ( -0.5000000 0.3090099 0.3977400), wk = 0.0028249 k( 297) = ( -0.5000000 0.3090099 0.3804470), wk = 0.0028249 k( 298) = ( -0.5000000 0.3090099 0.3631539), wk = 0.0028249 k( 299) = ( -0.5000000 0.3090099 0.3458609), wk = 0.0028249 k( 300) = ( -0.5000000 0.3090099 0.3285678), wk = 0.0028249 k( 301) = ( -0.5000000 0.3090099 0.3112748), wk = 0.0028249 k( 302) = ( -0.5000000 0.3090099 0.2939818), wk = 0.0028249 k( 303) = ( -0.5000000 0.3090099 0.2766887), wk = 0.0028249 k( 304) = ( -0.5000000 0.3090099 0.2593957), wk = 0.0028249 k( 305) = ( -0.5000000 0.3090099 0.2421026), wk = 0.0028249 k( 306) = ( -0.5000000 0.3090099 0.2248096), wk = 0.0028249 k( 307) = ( -0.5000000 0.3090099 0.2075165), wk = 0.0028249 k( 308) = ( -0.5000000 0.3090099 0.1902235), wk = 0.0028249 k( 309) = ( -0.5000000 0.3090099 0.1729304), wk = 0.0028249 k( 310) = ( -0.5000000 0.3090099 0.1556374), wk = 0.0028249 k( 311) = ( -0.5000000 0.3090099 0.1383444), wk = 0.0028249 k( 312) = ( -0.5000000 0.3090099 0.1210513), wk = 0.0028249 k( 313) = ( -0.5000000 0.3090099 0.1037583), wk = 0.0028249 k( 314) = ( -0.5000000 0.3090099 0.0864652), wk = 0.0028249 k( 315) = ( -0.5000000 0.3090099 0.0691722), wk = 0.0028249 k( 316) = ( -0.5000000 0.3090099 0.0518791), wk = 0.0028249 k( 317) = ( -0.5000000 0.3090099 0.0345861), wk = 0.0028249 k( 318) = ( -0.5000000 0.3090099 0.0172930), wk = 0.0028249 k( 319) = ( -0.5000000 0.3090099 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5360844), wk = 0.0028249 k( 321) = ( -0.0147059 0.0090885 0.5360844), wk = 0.0028249 k( 322) = ( -0.0294118 0.0181770 0.5360844), wk = 0.0028249 k( 323) = ( -0.0441177 0.0272656 0.5360844), wk = 0.0028249 k( 324) = ( -0.0588235 0.0363541 0.5360844), wk = 0.0028249 k( 325) = ( -0.0735294 0.0454426 0.5360844), wk = 0.0028249 k( 326) = ( -0.0882353 0.0545312 0.5360844), wk = 0.0028249 k( 327) = ( -0.1029412 0.0636197 0.5360844), wk = 0.0028249 k( 328) = ( -0.1176471 0.0727082 0.5360844), wk = 0.0028249 k( 329) = ( -0.1323529 0.0817967 0.5360844), wk = 0.0028249 k( 330) = ( -0.1470588 0.0908853 0.5360844), wk = 0.0028249 k( 331) = ( -0.1617647 0.0999738 0.5360844), wk = 0.0028249 k( 332) = ( -0.1764706 0.1090623 0.5360844), wk = 0.0028249 k( 333) = ( -0.1911765 0.1181508 0.5360844), wk = 0.0028249 k( 334) = ( -0.2058823 0.1272394 0.5360844), wk = 0.0028249 k( 335) = ( -0.2205882 0.1363279 0.5360844), wk = 0.0028249 k( 336) = ( -0.2352941 0.1454164 0.5360844), wk = 0.0028249 k( 337) = ( -0.2500000 0.1545049 0.5360844), wk = 0.0028249 k( 338) = ( -0.2647059 0.1635935 0.5360844), wk = 0.0028249 k( 339) = ( -0.2794118 0.1726820 0.5360844), wk = 0.0028249 k( 340) = ( -0.2941177 0.1817705 0.5360844), wk = 0.0028249 k( 341) = ( -0.3088235 0.1908590 0.5360844), wk = 0.0028249 k( 342) = ( -0.3235294 0.1999476 0.5360844), wk = 0.0028249 k( 343) = ( -0.3382353 0.2090361 0.5360844), wk = 0.0028249 k( 344) = ( -0.3529412 0.2181246 0.5360844), wk = 0.0028249 k( 345) = ( -0.3676471 0.2272131 0.5360844), wk = 0.0028249 k( 346) = ( -0.3823529 0.2363017 0.5360844), wk = 0.0028249 k( 347) = ( -0.3970588 0.2453902 0.5360844), wk = 0.0028249 k( 348) = ( -0.4117647 0.2544787 0.5360844), wk = 0.0028249 k( 349) = ( -0.4264706 0.2635673 0.5360844), wk = 0.0028249 k( 350) = ( -0.4411765 0.2726558 0.5360844), wk = 0.0028249 k( 351) = ( -0.4558823 0.2817443 0.5360844), wk = 0.0028249 k( 352) = ( -0.4705882 0.2908328 0.5360844), wk = 0.0028249 k( 353) = ( -0.4852941 0.2999214 0.5360844), wk = 0.0028249 k( 354) = ( -0.5000000 0.3090099 0.5360844), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0090918 0.0090918 0.0000000), wk = 0.0028249 k( 3) = ( 0.0181835 0.0181835 0.0000000), wk = 0.0028249 k( 4) = ( 0.0272753 0.0272753 0.0000000), wk = 0.0028249 k( 5) = ( 0.0363671 0.0363671 0.0000000), wk = 0.0028249 k( 6) = ( 0.0454588 0.0454588 0.0000000), wk = 0.0028249 k( 7) = ( 0.0545506 0.0545506 0.0000000), wk = 0.0028249 k( 8) = ( 0.0636424 0.0636424 0.0000000), wk = 0.0028249 k( 9) = ( 0.0727341 0.0727341 0.0000000), wk = 0.0028249 k( 10) = ( 0.0818259 0.0818259 0.0000000), wk = 0.0028249 k( 11) = ( 0.0909177 0.0909177 0.0000000), wk = 0.0028249 k( 12) = ( 0.1000094 0.1000094 0.0000000), wk = 0.0028249 k( 13) = ( 0.1091012 0.1091012 0.0000000), wk = 0.0028249 k( 14) = ( 0.1181930 0.1181930 -0.0000000), wk = 0.0028249 k( 15) = ( 0.1272847 0.1272847 0.0000000), wk = 0.0028249 k( 16) = ( 0.1363765 0.1363765 0.0000000), wk = 0.0028249 k( 17) = ( 0.1454683 0.1454683 0.0000000), wk = 0.0028249 k( 18) = ( 0.1545600 0.1545600 0.0000000), wk = 0.0028249 k( 19) = ( 0.1636518 0.1636518 0.0000000), wk = 0.0028249 k( 20) = ( 0.1727435 0.1727436 0.0000000), wk = 0.0028249 k( 21) = ( 0.1818353 0.1818353 0.0000000), wk = 0.0028249 k( 22) = ( 0.1909271 0.1909271 0.0000000), wk = 0.0028249 k( 23) = ( 0.2000188 0.2000189 0.0000000), wk = 0.0028249 k( 24) = ( 0.2091106 0.2091106 0.0000000), wk = 0.0028249 k( 25) = ( 0.2182024 0.2182024 0.0000000), wk = 0.0028249 k( 26) = ( 0.2272942 0.2272942 0.0000000), wk = 0.0028249 k( 27) = ( 0.2363859 0.2363859 -0.0000000), wk = 0.0028249 k( 28) = ( 0.2454777 0.2454777 0.0000000), wk = 0.0028249 k( 29) = ( 0.2545694 0.2545694 0.0000000), wk = 0.0028249 k( 30) = ( 0.2636612 0.2636612 0.0000000), wk = 0.0028249 k( 31) = ( 0.2727530 0.2727530 0.0000000), wk = 0.0028249 k( 32) = ( 0.2818447 0.2818447 -0.0000000), wk = 0.0028249 k( 33) = ( 0.2909365 0.2909365 0.0000000), wk = 0.0028249 k( 34) = ( 0.3000283 0.3000283 -0.0000000), wk = 0.0028249 k( 35) = ( 0.3091200 0.3091200 0.0000000), wk = 0.0028249 k( 36) = ( 0.3182118 0.3182118 0.0000000), wk = 0.0028249 k( 37) = ( 0.3273036 0.3273036 0.0000000), wk = 0.0028249 k( 38) = ( 0.3363953 0.3363953 0.0000000), wk = 0.0028249 k( 39) = ( 0.3454871 0.3454871 0.0000000), wk = 0.0028249 k( 40) = ( 0.3454871 0.3454871 0.0000000), wk = 0.0028249 k( 41) = ( 0.3282127 0.3532128 -0.0000000), wk = 0.0028249 k( 42) = ( 0.3109384 0.3609384 0.0000000), wk = 0.0028249 k( 43) = ( 0.2936640 0.3686640 0.0000000), wk = 0.0028249 k( 44) = ( 0.2763897 0.3763897 0.0000000), wk = 0.0028249 k( 45) = ( 0.2591153 0.3841153 0.0000000), wk = 0.0028249 k( 46) = ( 0.2418410 0.3918410 0.0000000), wk = 0.0028249 k( 47) = ( 0.2245666 0.3995666 0.0000000), wk = 0.0028249 k( 48) = ( 0.2072923 0.4072923 0.0000000), wk = 0.0028249 k( 49) = ( 0.1900179 0.4150179 0.0000000), wk = 0.0028249 k( 50) = ( 0.1727435 0.4227436 0.0000000), wk = 0.0028249 k( 51) = ( 0.1554692 0.4304692 0.0000000), wk = 0.0028249 k( 52) = ( 0.1381948 0.4381948 0.0000000), wk = 0.0028249 k( 53) = ( 0.1209205 0.4459205 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1036461 0.4536461 -0.0000000), wk = 0.0028249 k( 55) = ( 0.0863718 0.4613718 0.0000000), wk = 0.0028249 k( 56) = ( 0.0690974 0.4690974 0.0000000), wk = 0.0028249 k( 57) = ( 0.0518231 0.4768231 0.0000000), wk = 0.0028249 k( 58) = ( 0.0345487 0.4845487 0.0000000), wk = 0.0028249 k( 59) = ( 0.0172744 0.4922744 0.0000000), wk = 0.0028249 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249 k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249 k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249 k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249 k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249 k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249 k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249 k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249 k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249 k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249 k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249 k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249 k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249 k( 75) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0028249 k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249 k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249 k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249 k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249 k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249 k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249 k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249 k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249 k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249 k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249 k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249 k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249 k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249 k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249 k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249 k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 94) = ( 0.0172744 0.4922744 0.5000000), wk = 0.0028249 k( 95) = ( 0.0345487 0.4845487 0.5000000), wk = 0.0028249 k( 96) = ( 0.0518231 0.4768231 0.5000000), wk = 0.0028249 k( 97) = ( 0.0690974 0.4690974 0.5000000), wk = 0.0028249 k( 98) = ( 0.0863718 0.4613718 0.5000000), wk = 0.0028249 k( 99) = ( 0.1036461 0.4536461 0.5000000), wk = 0.0028249 k( 100) = ( 0.1209205 0.4459205 0.5000000), wk = 0.0028249 k( 101) = ( 0.1381948 0.4381948 0.5000000), wk = 0.0028249 k( 102) = ( 0.1554692 0.4304692 0.5000000), wk = 0.0028249 k( 103) = ( 0.1727435 0.4227436 0.5000000), wk = 0.0028249 k( 104) = ( 0.1900179 0.4150179 0.5000000), wk = 0.0028249 k( 105) = ( 0.2072923 0.4072923 0.5000000), wk = 0.0028249 k( 106) = ( 0.2245666 0.3995666 0.5000000), wk = 0.0028249 k( 107) = ( 0.2418410 0.3918410 0.5000000), wk = 0.0028249 k( 108) = ( 0.2591153 0.3841153 0.5000000), wk = 0.0028249 k( 109) = ( 0.2763897 0.3763897 0.5000000), wk = 0.0028249 k( 110) = ( 0.2936640 0.3686640 0.5000000), wk = 0.0028249 k( 111) = ( 0.3109384 0.3609384 0.5000000), wk = 0.0028249 k( 112) = ( 0.3282127 0.3532128 0.5000000), wk = 0.0028249 k( 113) = ( 0.3454871 0.3454871 0.5000000), wk = 0.0028249 k( 114) = ( 0.3454871 0.3454871 0.5000000), wk = 0.0028249 k( 115) = ( 0.3363953 0.3363953 0.5000000), wk = 0.0028249 k( 116) = ( 0.3273036 0.3273036 0.5000000), wk = 0.0028249 k( 117) = ( 0.3182118 0.3182118 0.5000000), wk = 0.0028249 k( 118) = ( 0.3091200 0.3091200 0.5000000), wk = 0.0028249 k( 119) = ( 0.3000283 0.3000283 0.5000000), wk = 0.0028249 k( 120) = ( 0.2909365 0.2909365 0.5000000), wk = 0.0028249 k( 121) = ( 0.2818447 0.2818447 0.5000000), wk = 0.0028249 k( 122) = ( 0.2727530 0.2727530 0.5000000), wk = 0.0028249 k( 123) = ( 0.2636612 0.2636612 0.5000000), wk = 0.0028249 k( 124) = ( 0.2545694 0.2545694 0.5000000), wk = 0.0028249 k( 125) = ( 0.2454777 0.2454777 0.5000000), wk = 0.0028249 k( 126) = ( 0.2363859 0.2363859 0.5000000), wk = 0.0028249 k( 127) = ( 0.2272942 0.2272942 0.5000000), wk = 0.0028249 k( 128) = ( 0.2182024 0.2182024 0.5000000), wk = 0.0028249 k( 129) = ( 0.2091106 0.2091106 0.5000000), wk = 0.0028249 k( 130) = ( 0.2000188 0.2000189 0.5000000), wk = 0.0028249 k( 131) = ( 0.1909271 0.1909271 0.5000000), wk = 0.0028249 k( 132) = ( 0.1818353 0.1818353 0.5000000), wk = 0.0028249 k( 133) = ( 0.1727435 0.1727436 0.5000000), wk = 0.0028249 k( 134) = ( 0.1636518 0.1636518 0.5000000), wk = 0.0028249 k( 135) = ( 0.1545600 0.1545600 0.5000000), wk = 0.0028249 k( 136) = ( 0.1454683 0.1454683 0.5000000), wk = 0.0028249 k( 137) = ( 0.1363765 0.1363765 0.5000000), wk = 0.0028249 k( 138) = ( 0.1272847 0.1272847 0.5000000), wk = 0.0028249 k( 139) = ( 0.1181930 0.1181930 0.5000000), wk = 0.0028249 k( 140) = ( 0.1091012 0.1091012 0.5000000), wk = 0.0028249 k( 141) = ( 0.1000094 0.1000094 0.5000000), wk = 0.0028249 k( 142) = ( 0.0909177 0.0909177 0.5000000), wk = 0.0028249 k( 143) = ( 0.0818259 0.0818259 0.5000000), wk = 0.0028249 k( 144) = ( 0.0727341 0.0727341 0.5000000), wk = 0.0028249 k( 145) = ( 0.0636424 0.0636424 0.5000000), wk = 0.0028249 k( 146) = ( 0.0545506 0.0545506 0.5000000), wk = 0.0028249 k( 147) = ( 0.0454588 0.0454588 0.5000000), wk = 0.0028249 k( 148) = ( 0.0363671 0.0363671 0.5000000), wk = 0.0028249 k( 149) = ( 0.0272753 0.0272753 0.5000000), wk = 0.0028249 k( 150) = ( 0.0181835 0.0181835 0.5000000), wk = 0.0028249 k( 151) = ( 0.0090918 0.0090918 0.5000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249 k( 170) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0028249 k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249 k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249 k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249 k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249 k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249 k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249 k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249 k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249 k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249 k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249 k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249 k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249 k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 186) = ( -0.0147059 0.0147059 -0.0000000), wk = 0.0028249 k( 187) = ( -0.0294118 0.0294118 -0.0000000), wk = 0.0028249 k( 188) = ( -0.0441177 0.0441176 -0.0000000), wk = 0.0028249 k( 189) = ( -0.0588235 0.0588235 -0.0000000), wk = 0.0028249 k( 190) = ( -0.0735294 0.0735294 -0.0000000), wk = 0.0028249 k( 191) = ( -0.0882353 0.0882353 -0.0000000), wk = 0.0028249 k( 192) = ( -0.1029412 0.1029412 -0.0000000), wk = 0.0028249 k( 193) = ( -0.1176471 0.1176471 -0.0000000), wk = 0.0028249 k( 194) = ( -0.1323529 0.1323529 -0.0000000), wk = 0.0028249 k( 195) = ( -0.1470588 0.1470588 -0.0000000), wk = 0.0028249 k( 196) = ( -0.1617647 0.1617647 -0.0000000), wk = 0.0028249 k( 197) = ( -0.1764706 0.1764706 -0.0000000), wk = 0.0028249 k( 198) = ( -0.1911765 0.1911765 -0.0000000), wk = 0.0028249 k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249 k( 200) = ( -0.2205882 0.2205882 -0.0000000), wk = 0.0028249 k( 201) = ( -0.2352941 0.2352941 -0.0000000), wk = 0.0028249 k( 202) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0028249 k( 203) = ( -0.2647059 0.2647059 -0.0000000), wk = 0.0028249 k( 204) = ( -0.2794118 0.2794118 -0.0000000), wk = 0.0028249 k( 205) = ( -0.2941177 0.2941177 -0.0000000), wk = 0.0028249 k( 206) = ( -0.3088235 0.3088235 -0.0000000), wk = 0.0028249 k( 207) = ( -0.3235294 0.3235294 -0.0000000), wk = 0.0028249 k( 208) = ( -0.3382353 0.3382353 -0.0000000), wk = 0.0028249 k( 209) = ( -0.3529412 0.3529412 -0.0000000), wk = 0.0028249 k( 210) = ( -0.3676471 0.3676471 -0.0000000), wk = 0.0028249 k( 211) = ( -0.3823529 0.3823529 -0.0000000), wk = 0.0028249 k( 212) = ( -0.3970588 0.3970588 -0.0000000), wk = 0.0028249 k( 213) = ( -0.4117647 0.4117647 -0.0000000), wk = 0.0028249 k( 214) = ( -0.4264706 0.4264706 -0.0000000), wk = 0.0028249 k( 215) = ( -0.4411765 0.4411765 -0.0000000), wk = 0.0028249 k( 216) = ( -0.4558823 0.4558823 -0.0000000), wk = 0.0028249 k( 217) = ( -0.4705882 0.4705882 -0.0000000), wk = 0.0028249 k( 218) = ( -0.4852941 0.4852941 -0.0000000), wk = 0.0028249 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 221) = ( -0.4909110 0.5090890 -0.0000000), wk = 0.0028249 k( 222) = ( -0.4818220 0.5181780 -0.0000000), wk = 0.0028249 k( 223) = ( -0.4727330 0.5272670 -0.0000000), wk = 0.0028249 k( 224) = ( -0.4636440 0.5363560 -0.0000000), wk = 0.0028249 k( 225) = ( -0.4545550 0.5454450 -0.0000000), wk = 0.0028249 k( 226) = ( -0.4454660 0.5545340 -0.0000000), wk = 0.0028249 k( 227) = ( -0.4363770 0.5636230 0.0000000), wk = 0.0028249 k( 228) = ( -0.4272880 0.5727119 0.0000000), wk = 0.0028249 k( 229) = ( -0.4181991 0.5818009 -0.0000000), wk = 0.0028249 k( 230) = ( -0.4091101 0.5908899 -0.0000000), wk = 0.0028249 k( 231) = ( -0.4000211 0.5999789 -0.0000000), wk = 0.0028249 k( 232) = ( -0.3909321 0.6090679 -0.0000000), wk = 0.0028249 k( 233) = ( -0.3818431 0.6181569 -0.0000000), wk = 0.0028249 k( 234) = ( -0.3727541 0.6272459 -0.0000000), wk = 0.0028249 k( 235) = ( -0.3636651 0.6363349 -0.0000000), wk = 0.0028249 k( 236) = ( -0.3545761 0.6454239 -0.0000000), wk = 0.0028249 k( 237) = ( -0.3454871 0.6545129 -0.0000000), wk = 0.0028249 k( 238) = ( -0.3454871 0.6545129 -0.0000000), wk = 0.0028249 k( 239) = ( -0.3454871 0.6545129 0.0161290), wk = 0.0028249 k( 240) = ( -0.3454871 0.6545129 0.0322581), wk = 0.0028249 k( 241) = ( -0.3454871 0.6545129 0.0483871), wk = 0.0028249 k( 242) = ( -0.3454871 0.6545129 0.0645161), wk = 0.0028249 k( 243) = ( -0.3454871 0.6545129 0.0806452), wk = 0.0028249 k( 244) = ( -0.3454871 0.6545129 0.0967742), wk = 0.0028249 k( 245) = ( -0.3454871 0.6545129 0.1129032), wk = 0.0028249 k( 246) = ( -0.3454871 0.6545129 0.1290323), wk = 0.0028249 k( 247) = ( -0.3454871 0.6545129 0.1451613), wk = 0.0028249 k( 248) = ( -0.3454871 0.6545129 0.1612903), wk = 0.0028249 k( 249) = ( -0.3454871 0.6545129 0.1774194), wk = 0.0028249 k( 250) = ( -0.3454871 0.6545129 0.1935484), wk = 0.0028249 k( 251) = ( -0.3454871 0.6545129 0.2096774), wk = 0.0028249 k( 252) = ( -0.3454871 0.6545129 0.2258065), wk = 0.0028249 k( 253) = ( -0.3454871 0.6545129 0.2419355), wk = 0.0028249 k( 254) = ( -0.3454871 0.6545129 0.2580645), wk = 0.0028249 k( 255) = ( -0.3454871 0.6545129 0.2741936), wk = 0.0028249 k( 256) = ( -0.3454871 0.6545129 0.2903226), wk = 0.0028249 k( 257) = ( -0.3454871 0.6545129 0.3064516), wk = 0.0028249 k( 258) = ( -0.3454871 0.6545129 0.3225807), wk = 0.0028249 k( 259) = ( -0.3454871 0.6545129 0.3387097), wk = 0.0028249 k( 260) = ( -0.3454871 0.6545129 0.3548387), wk = 0.0028249 k( 261) = ( -0.3454871 0.6545129 0.3709677), wk = 0.0028249 k( 262) = ( -0.3454871 0.6545129 0.3870968), wk = 0.0028249 k( 263) = ( -0.3454871 0.6545129 0.4032258), wk = 0.0028249 k( 264) = ( -0.3454871 0.6545129 0.4193548), wk = 0.0028249 k( 265) = ( -0.3454871 0.6545129 0.4354839), wk = 0.0028249 k( 266) = ( -0.3454871 0.6545129 0.4516129), wk = 0.0028249 k( 267) = ( -0.3454871 0.6545129 0.4677419), wk = 0.0028249 k( 268) = ( -0.3454871 0.6545129 0.4838710), wk = 0.0028249 k( 269) = ( -0.3454871 0.6545129 0.5000000), wk = 0.0028249 k( 270) = ( -0.3454871 0.6545129 0.5000000), wk = 0.0028249 k( 271) = ( -0.3545761 0.6454239 0.5000000), wk = 0.0028249 k( 272) = ( -0.3636651 0.6363349 0.5000000), wk = 0.0028249 k( 273) = ( -0.3727541 0.6272459 0.5000000), wk = 0.0028249 k( 274) = ( -0.3818431 0.6181569 0.5000000), wk = 0.0028249 k( 275) = ( -0.3909321 0.6090679 0.5000000), wk = 0.0028249 k( 276) = ( -0.4000211 0.5999789 0.5000000), wk = 0.0028249 k( 277) = ( -0.4091101 0.5908899 0.5000000), wk = 0.0028249 k( 278) = ( -0.4181991 0.5818009 0.5000000), wk = 0.0028249 k( 279) = ( -0.4272880 0.5727119 0.5000000), wk = 0.0028249 k( 280) = ( -0.4363770 0.5636230 0.5000000), wk = 0.0028249 k( 281) = ( -0.4454660 0.5545340 0.5000000), wk = 0.0028249 k( 282) = ( -0.4545550 0.5454450 0.5000000), wk = 0.0028249 k( 283) = ( -0.4636440 0.5363560 0.5000000), wk = 0.0028249 k( 284) = ( -0.4727330 0.5272670 0.5000000), wk = 0.0028249 k( 285) = ( -0.4818220 0.5181780 0.5000000), wk = 0.0028249 k( 286) = ( -0.4909110 0.5090890 0.5000000), wk = 0.0028249 k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249 k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249 k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249 k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249 k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249 k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249 k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249 k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249 k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249 k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249 k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249 k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249 k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249 k( 302) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028249 k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249 k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249 k( 305) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0028249 k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249 k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249 k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249 k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249 k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249 k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249 k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249 k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249 k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249 k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249 k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249 k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249 k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249 k( 319) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249 k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249 k( 323) = ( -0.0441177 0.0441176 0.5000000), wk = 0.0028249 k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249 k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249 k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249 k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249 k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249 k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249 k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249 k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249 k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249 k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249 k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249 k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249 k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249 k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249 k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249 k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249 k( 340) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028249 k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249 k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249 k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249 k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249 k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249 k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249 k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249 k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249 k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249 k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249 k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249 k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249 k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 91015 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 40215 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 226, 58) NL pseudopotentials 0.24 Mb ( 113, 140) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1898) G-vector shells 0.01 Mb ( 975) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 226, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) The potential is recalculated from file : ./Ge2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 49.2 secs Computing kpt #: 4 total cpu time spent up to now is 52.5 secs Computing kpt #: 5 total cpu time spent up to now is 55.9 secs Computing kpt #: 6 total cpu time spent up to now is 59.1 secs Computing kpt #: 7 total cpu time spent up to now is 62.2 secs Computing kpt #: 8 total cpu time spent up to now is 65.3 secs Computing kpt #: 9 total cpu time spent up to now is 68.2 secs Computing kpt #: 10 total cpu time spent up to now is 71.5 secs Computing kpt #: 11 total cpu time spent up to now is 74.5 secs Computing kpt #: 12 total cpu time spent up to now is 77.3 secs Computing kpt #: 13 total cpu time spent up to now is 80.1 secs Computing kpt #: 14 total cpu time spent up to now is 82.9 secs Computing kpt #: 15 total cpu time spent up to now is 85.6 secs Computing kpt #: 16 total cpu time spent up to now is 88.4 secs Computing kpt #: 17 total cpu time spent up to now is 91.0 secs Computing kpt #: 18 total cpu time spent up to now is 93.8 secs Computing kpt #: 19 total cpu time spent up to now is 96.1 secs Computing kpt #: 20 total cpu time spent up to now is 99.0 secs Computing kpt #: 21 total cpu time spent up to now is 102.0 secs Computing kpt #: 22 total cpu time spent up to now is 105.1 secs Computing kpt #: 23 total cpu time spent up to now is 108.1 secs Computing kpt #: 24 total cpu time spent up to now is 110.8 secs Computing kpt #: 25 total cpu time spent up to now is 113.3 secs Computing kpt #: 26 total cpu time spent up to now is 115.6 secs Computing kpt #: 27 total cpu time spent up to now is 117.9 secs Computing kpt #: 28 total cpu time spent up to now is 120.3 secs Computing kpt #: 29 total cpu time spent up to now is 122.6 secs Computing kpt #: 30 total cpu time spent up to now is 125.2 secs Computing kpt #: 31 total cpu time spent up to now is 127.5 secs Computing kpt #: 32 total cpu time spent up to now is 130.0 secs Computing kpt #: 33 total cpu time spent up to now is 132.6 secs Computing kpt #: 34 total cpu time spent up to now is 134.8 secs Computing kpt #: 35 total cpu time spent up to now is 137.3 secs Computing kpt #: 36 total cpu time spent up to now is 139.5 secs Computing kpt #: 37 total cpu time spent up to now is 141.7 secs Computing kpt #: 38 total cpu time spent up to now is 143.9 secs Computing kpt #: 39 total cpu time spent up to now is 146.0 secs Computing kpt #: 40 total cpu time spent up to now is 148.3 secs Computing kpt #: 41 total cpu time spent up to now is 150.6 secs Computing kpt #: 42 total cpu time spent up to now is 152.9 secs Computing kpt #: 43 total cpu time spent up to now is 155.6 secs Computing kpt #: 44 total cpu time spent up to now is 157.8 secs Computing kpt #: 45 total cpu time spent up to now is 160.0 secs Computing kpt #: 46 total cpu time spent up to now is 162.2 secs Computing kpt #: 47 total cpu time spent up to now is 164.6 secs Computing kpt #: 48 total cpu time spent up to now is 167.1 secs Computing kpt #: 49 total cpu time spent up to now is 169.5 secs Computing kpt #: 50 total cpu time spent up to now is 172.0 secs Computing kpt #: 51 total cpu time spent up to now is 174.4 secs Computing kpt #: 52 total cpu time spent up to now is 177.0 secs Computing kpt #: 53 total cpu time spent up to now is 179.5 secs Computing kpt #: 54 total cpu time spent up to now is 182.1 secs Computing kpt #: 55 total cpu time spent up to now is 184.7 secs Computing kpt #: 56 total cpu time spent up to now is 187.3 secs Computing kpt #: 57 total cpu time spent up to now is 190.0 secs Computing kpt #: 58 total cpu time spent up to now is 192.5 secs Computing kpt #: 59 total cpu time spent up to now is 195.0 secs Computing kpt #: 60 total cpu time spent up to now is 197.4 secs Computing kpt #: 61 total cpu time spent up to now is 200.0 secs Computing kpt #: 62 total cpu time spent up to now is 202.5 secs Computing kpt #: 63 total cpu time spent up to now is 205.0 secs Computing kpt #: 64 total cpu time spent up to now is 207.8 secs Computing kpt #: 65 total cpu time spent up to now is 210.7 secs Computing kpt #: 66 total cpu time spent up to now is 213.5 secs Computing kpt #: 67 total cpu time spent up to now is 216.3 secs Computing kpt #: 68 total cpu time spent up to now is 219.1 secs Computing kpt #: 69 total cpu time spent up to now is 222.1 secs Computing kpt #: 70 total cpu time spent up to now is 225.2 secs Computing kpt #: 71 total cpu time spent up to now is 228.6 secs Computing kpt #: 72 total cpu time spent up to now is 231.8 secs Computing kpt #: 73 total cpu time spent up to now is 235.2 secs Computing kpt #: 74 total cpu time spent up to now is 238.5 secs Computing kpt #: 75 total cpu time spent up to now is 241.9 secs Computing kpt #: 76 total cpu time spent up to now is 245.5 secs Computing kpt #: 77 total cpu time spent up to now is 248.9 secs Computing kpt #: 78 total cpu time spent up to now is 252.4 secs Computing kpt #: 79 total cpu time spent up to now is 256.0 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.3 secs Computing kpt #: 82 total cpu time spent up to now is 271.1 secs Computing kpt #: 83 total cpu time spent up to now is 274.5 secs Computing kpt #: 84 total cpu time spent up to now is 277.5 secs Computing kpt #: 85 total cpu time spent up to now is 280.3 secs Computing kpt #: 86 total cpu time spent up to now is 283.1 secs Computing kpt #: 87 total cpu time spent up to now is 285.8 secs Computing kpt #: 88 total cpu time spent up to now is 288.4 secs Computing kpt #: 89 total cpu time spent up to now is 291.4 secs Computing kpt #: 90 total cpu time spent up to now is 295.6 secs Computing kpt #: 91 total cpu time spent up to now is 300.4 secs Computing kpt #: 92 total cpu time spent up to now is 304.3 secs Computing kpt #: 93 total cpu time spent up to now is 307.1 secs Computing kpt #: 94 total cpu time spent up to now is 309.4 secs Computing kpt #: 95 total cpu time spent up to now is 312.1 secs Computing kpt #: 96 total cpu time spent up to now is 314.9 secs Computing kpt #: 97 total cpu time spent up to now is 317.6 secs Computing kpt #: 98 total cpu time spent up to now is 320.4 secs Computing kpt #: 99 total cpu time spent up to now is 323.1 secs Computing kpt #: 100 total cpu time spent up to now is 326.0 secs Computing kpt #: 101 total cpu time spent up to now is 328.8 secs Computing kpt #: 102 total cpu time spent up to now is 331.6 secs Computing kpt #: 103 total cpu time spent up to now is 334.3 secs Computing kpt #: 104 total cpu time spent up to now is 337.2 secs Computing kpt #: 105 total cpu time spent up to now is 339.4 secs Computing kpt #: 106 total cpu time spent up to now is 342.1 secs Computing kpt #: 107 total cpu time spent up to now is 344.3 secs Computing kpt #: 108 total cpu time spent up to now is 347.1 secs Computing kpt #: 109 total cpu time spent up to now is 349.7 secs Computing kpt #: 110 total cpu time spent up to now is 352.6 secs Computing kpt #: 111 total cpu time spent up to now is 355.5 secs Computing kpt #: 112 total cpu time spent up to now is 358.4 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.1 secs Computing kpt #: 114 total cpu time spent up to now is 367.1 secs Computing kpt #: 115 total cpu time spent up to now is 370.2 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.9 secs Computing kpt #: 117 total cpu time spent up to now is 378.3 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.9 secs Computing kpt #: 119 total cpu time spent up to now is 385.2 secs Computing kpt #: 120 total cpu time spent up to now is 388.2 secs Computing kpt #: 121 total cpu time spent up to now is 390.9 secs Computing kpt #: 122 total cpu time spent up to now is 393.9 secs Computing kpt #: 123 total cpu time spent up to now is 396.7 secs Computing kpt #: 124 total cpu time spent up to now is 399.5 secs Computing kpt #: 125 total cpu time spent up to now is 402.2 secs Computing kpt #: 126 total cpu time spent up to now is 405.1 secs Computing kpt #: 127 total cpu time spent up to now is 407.8 secs Computing kpt #: 128 total cpu time spent up to now is 410.5 secs Computing kpt #: 129 total cpu time spent up to now is 413.7 secs Computing kpt #: 130 total cpu time spent up to now is 417.0 secs Computing kpt #: 131 total cpu time spent up to now is 420.7 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.3 secs Computing kpt #: 133 total cpu time spent up to now is 429.1 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 438.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.4 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.1 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.7 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.2 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.0 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.8 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.5 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.3 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 495.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.5 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 515.3 secs Computing kpt #: 152 total cpu time spent up to now is 517.3 secs Computing kpt #: 153 total cpu time spent up to now is 519.4 secs Computing kpt #: 154 total cpu time spent up to now is 522.1 secs Computing kpt #: 155 total cpu time spent up to now is 524.8 secs Computing kpt #: 156 total cpu time spent up to now is 528.0 secs Computing kpt #: 157 total cpu time spent up to now is 531.2 secs Computing kpt #: 158 total cpu time spent up to now is 533.8 secs Computing kpt #: 159 total cpu time spent up to now is 536.8 secs Computing kpt #: 160 total cpu time spent up to now is 539.0 secs Computing kpt #: 161 total cpu time spent up to now is 541.2 secs Computing kpt #: 162 total cpu time spent up to now is 543.8 secs Computing kpt #: 163 total cpu time spent up to now is 545.9 secs Computing kpt #: 164 total cpu time spent up to now is 547.9 secs Computing kpt #: 165 total cpu time spent up to now is 549.9 secs Computing kpt #: 166 total cpu time spent up to now is 552.0 secs Computing kpt #: 167 total cpu time spent up to now is 554.0 secs Computing kpt #: 168 total cpu time spent up to now is 556.1 secs Computing kpt #: 169 total cpu time spent up to now is 558.1 secs Computing kpt #: 170 total cpu time spent up to now is 560.1 secs Computing kpt #: 171 total cpu time spent up to now is 562.2 secs Computing kpt #: 172 total cpu time spent up to now is 564.3 secs Computing kpt #: 173 total cpu time spent up to now is 566.4 secs Computing kpt #: 174 total cpu time spent up to now is 568.6 secs Computing kpt #: 175 total cpu time spent up to now is 570.8 secs Computing kpt #: 176 total cpu time spent up to now is 573.1 secs Computing kpt #: 177 total cpu time spent up to now is 575.4 secs Computing kpt #: 178 total cpu time spent up to now is 578.0 secs Computing kpt #: 179 total cpu time spent up to now is 581.0 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.0 secs Computing kpt #: 181 total cpu time spent up to now is 590.2 secs Computing kpt #: 182 total cpu time spent up to now is 593.5 secs Computing kpt #: 183 total cpu time spent up to now is 596.8 secs Computing kpt #: 184 total cpu time spent up to now is 601.4 secs Computing kpt #: 185 total cpu time spent up to now is 605.7 secs Computing kpt #: 186 total cpu time spent up to now is 609.0 secs Computing kpt #: 187 total cpu time spent up to now is 612.5 secs Computing kpt #: 188 total cpu time spent up to now is 616.6 secs Computing kpt #: 189 total cpu time spent up to now is 620.0 secs Computing kpt #: 190 total cpu time spent up to now is 623.4 secs Computing kpt #: 191 total cpu time spent up to now is 626.6 secs Computing kpt #: 192 total cpu time spent up to now is 629.6 secs Computing kpt #: 193 total cpu time spent up to now is 632.5 secs Computing kpt #: 194 total cpu time spent up to now is 635.2 secs Computing kpt #: 195 total cpu time spent up to now is 637.9 secs Computing kpt #: 196 total cpu time spent up to now is 640.5 secs Computing kpt #: 197 total cpu time spent up to now is 643.0 secs Computing kpt #: 198 total cpu time spent up to now is 645.5 secs Computing kpt #: 199 total cpu time spent up to now is 647.9 secs Computing kpt #: 200 total cpu time spent up to now is 650.3 secs Computing kpt #: 201 total cpu time spent up to now is 652.6 secs Computing kpt #: 202 total cpu time spent up to now is 655.0 secs Computing kpt #: 203 total cpu time spent up to now is 657.3 secs Computing kpt #: 204 total cpu time spent up to now is 659.6 secs Computing kpt #: 205 total cpu time spent up to now is 661.9 secs Computing kpt #: 206 total cpu time spent up to now is 664.3 secs Computing kpt #: 207 total cpu time spent up to now is 666.6 secs Computing kpt #: 208 total cpu time spent up to now is 668.8 secs Computing kpt #: 209 total cpu time spent up to now is 671.1 secs Computing kpt #: 210 total cpu time spent up to now is 673.3 secs Computing kpt #: 211 total cpu time spent up to now is 675.6 secs Computing kpt #: 212 total cpu time spent up to now is 677.9 secs Computing kpt #: 213 total cpu time spent up to now is 680.2 secs Computing kpt #: 214 total cpu time spent up to now is 682.7 secs Computing kpt #: 215 total cpu time spent up to now is 685.2 secs Computing kpt #: 216 total cpu time spent up to now is 687.9 secs Computing kpt #: 217 total cpu time spent up to now is 690.6 secs Computing kpt #: 218 total cpu time spent up to now is 693.3 secs Computing kpt #: 219 total cpu time spent up to now is 695.8 secs Computing kpt #: 220 total cpu time spent up to now is 698.2 secs Computing kpt #: 221 total cpu time spent up to now is 700.9 secs Computing kpt #: 222 total cpu time spent up to now is 703.6 secs Computing kpt #: 223 total cpu time spent up to now is 706.3 secs Computing kpt #: 224 total cpu time spent up to now is 708.8 secs Computing kpt #: 225 total cpu time spent up to now is 711.3 secs Computing kpt #: 226 total cpu time spent up to now is 713.9 secs Computing kpt #: 227 total cpu time spent up to now is 716.2 secs Computing kpt #: 228 total cpu time spent up to now is 718.6 secs Computing kpt #: 229 total cpu time spent up to now is 721.0 secs Computing kpt #: 230 total cpu time spent up to now is 723.7 secs Computing kpt #: 231 total cpu time spent up to now is 726.1 secs Computing kpt #: 232 total cpu time spent up to now is 728.4 secs Computing kpt #: 233 total cpu time spent up to now is 732.0 secs Computing kpt #: 234 total cpu time spent up to now is 735.0 secs Computing kpt #: 235 total cpu time spent up to now is 737.3 secs Computing kpt #: 236 total cpu time spent up to now is 739.7 secs Computing kpt #: 237 total cpu time spent up to now is 742.0 secs Computing kpt #: 238 total cpu time spent up to now is 744.4 secs Computing kpt #: 239 total cpu time spent up to now is 746.6 secs Computing kpt #: 240 total cpu time spent up to now is 748.8 secs Computing kpt #: 241 total cpu time spent up to now is 751.6 secs Computing kpt #: 242 total cpu time spent up to now is 754.6 secs Computing kpt #: 243 total cpu time spent up to now is 757.4 secs Computing kpt #: 244 total cpu time spent up to now is 760.2 secs Computing kpt #: 245 total cpu time spent up to now is 763.2 secs Computing kpt #: 246 total cpu time spent up to now is 766.5 secs Computing kpt #: 247 total cpu time spent up to now is 768.8 secs Computing kpt #: 248 total cpu time spent up to now is 771.4 secs Computing kpt #: 249 total cpu time spent up to now is 773.8 secs Computing kpt #: 250 total cpu time spent up to now is 776.2 secs Computing kpt #: 251 total cpu time spent up to now is 778.7 secs Computing kpt #: 252 total cpu time spent up to now is 781.1 secs Computing kpt #: 253 total cpu time spent up to now is 783.8 secs Computing kpt #: 254 total cpu time spent up to now is 786.7 secs Computing kpt #: 255 total cpu time spent up to now is 789.7 secs Computing kpt #: 256 total cpu time spent up to now is 792.4 secs Computing kpt #: 257 total cpu time spent up to now is 795.3 secs Computing kpt #: 258 total cpu time spent up to now is 798.1 secs Computing kpt #: 259 total cpu time spent up to now is 800.9 secs Computing kpt #: 260 total cpu time spent up to now is 803.7 secs Computing kpt #: 261 total cpu time spent up to now is 806.4 secs Computing kpt #: 262 total cpu time spent up to now is 809.1 secs Computing kpt #: 263 total cpu time spent up to now is 811.9 secs Computing kpt #: 264 total cpu time spent up to now is 814.5 secs Computing kpt #: 265 total cpu time spent up to now is 817.2 secs Computing kpt #: 266 total cpu time spent up to now is 820.0 secs Computing kpt #: 267 total cpu time spent up to now is 822.8 secs Computing kpt #: 268 total cpu time spent up to now is 825.7 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 830.3 secs Computing kpt #: 270 total cpu time spent up to now is 833.3 secs Computing kpt #: 271 total cpu time spent up to now is 836.7 secs Computing kpt #: 272 total cpu time spent up to now is 841.7 secs Computing kpt #: 273 total cpu time spent up to now is 844.9 secs Computing kpt #: 274 total cpu time spent up to now is 848.4 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 852.9 secs Computing kpt #: 276 total cpu time spent up to now is 859.3 secs Computing kpt #: 277 total cpu time spent up to now is 862.0 secs Computing kpt #: 278 total cpu time spent up to now is 864.9 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 869.9 secs Computing kpt #: 280 total cpu time spent up to now is 874.3 secs Computing kpt #: 281 total cpu time spent up to now is 877.2 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 881.8 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 886.7 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 891.5 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 896.4 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 904.4 secs Computing kpt #: 287 total cpu time spent up to now is 906.5 secs Computing kpt #: 288 total cpu time spent up to now is 908.8 secs Computing kpt #: 289 total cpu time spent up to now is 912.5 secs Computing kpt #: 290 total cpu time spent up to now is 915.2 secs Computing kpt #: 291 total cpu time spent up to now is 918.0 secs Computing kpt #: 292 total cpu time spent up to now is 920.8 secs Computing kpt #: 293 total cpu time spent up to now is 923.2 secs Computing kpt #: 294 total cpu time spent up to now is 925.8 secs Computing kpt #: 295 total cpu time spent up to now is 928.5 secs Computing kpt #: 296 total cpu time spent up to now is 930.9 secs Computing kpt #: 297 total cpu time spent up to now is 933.3 secs Computing kpt #: 298 total cpu time spent up to now is 935.7 secs Computing kpt #: 299 total cpu time spent up to now is 938.1 secs Computing kpt #: 300 total cpu time spent up to now is 940.5 secs Computing kpt #: 301 total cpu time spent up to now is 942.7 secs Computing kpt #: 302 total cpu time spent up to now is 945.1 secs Computing kpt #: 303 total cpu time spent up to now is 947.7 secs Computing kpt #: 304 total cpu time spent up to now is 950.0 secs Computing kpt #: 305 total cpu time spent up to now is 952.4 secs Computing kpt #: 306 total cpu time spent up to now is 954.7 secs Computing kpt #: 307 total cpu time spent up to now is 957.1 secs Computing kpt #: 308 total cpu time spent up to now is 959.7 secs Computing kpt #: 309 total cpu time spent up to now is 962.3 secs Computing kpt #: 310 total cpu time spent up to now is 964.9 secs Computing kpt #: 311 total cpu time spent up to now is 967.6 secs Computing kpt #: 312 total cpu time spent up to now is 971.9 secs Computing kpt #: 313 total cpu time spent up to now is 975.5 secs Computing kpt #: 314 total cpu time spent up to now is 978.1 secs Computing kpt #: 315 total cpu time spent up to now is 980.9 secs Computing kpt #: 316 total cpu time spent up to now is 984.0 secs Computing kpt #: 317 total cpu time spent up to now is 987.1 secs Computing kpt #: 318 total cpu time spent up to now is 989.7 secs Computing kpt #: 319 total cpu time spent up to now is 992.3 secs Computing kpt #: 320 total cpu time spent up to now is 994.5 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.1 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1008.8 secs Computing kpt #: 324 total cpu time spent up to now is 1011.4 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1016.0 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1020.8 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1025.6 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1030.3 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1034.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.9 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1044.7 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1049.4 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.1 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.9 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1063.7 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1068.4 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1073.2 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1077.9 secs Computing kpt #: 339 total cpu time spent up to now is 1082.6 secs Computing kpt #: 340 total cpu time spent up to now is 1087.1 secs Computing kpt #: 341 total cpu time spent up to now is 1091.6 secs Computing kpt #: 342 total cpu time spent up to now is 1095.8 secs Computing kpt #: 343 total cpu time spent up to now is 1099.7 secs Computing kpt #: 344 total cpu time spent up to now is 1103.7 secs Computing kpt #: 345 total cpu time spent up to now is 1107.9 secs Computing kpt #: 346 total cpu time spent up to now is 1111.7 secs Computing kpt #: 347 total cpu time spent up to now is 1115.3 secs Computing kpt #: 348 total cpu time spent up to now is 1118.6 secs Computing kpt #: 349 total cpu time spent up to now is 1121.8 secs Computing kpt #: 350 total cpu time spent up to now is 1126.0 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1130.6 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1135.2 secs Computing kpt #: 353 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1140.0 secs Computing kpt #: 354 total cpu time spent up to now is 1142.0 secs ethr = 2.08E-11, avg # of iterations = 58.0 total cpu time spent up to now is 1142.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -14.1774 -14.1774 -13.6689 -13.6689 -11.4202 -11.4202 -9.8424 -9.8424 -9.7535 -9.7535 -9.5042 -9.5042 -4.5148 -4.5148 -4.2891 -4.2891 -4.2617 -4.2617 -1.1848 -1.1848 -0.8832 -0.8832 -0.6885 -0.6885 0.0838 0.0838 0.1664 0.1664 1.1258 1.1258 1.3313 1.3313 2.1601 2.1601 2.6948 2.6948 2.9702 2.9702 3.1248 3.1248 3.4900 3.4900 3.6202 3.6202 3.8827 3.8827 4.0850 4.0850 7.3418 7.3418 9.2711 9.2711 10.5765 10.5765 10.8549 10.8549 12.1559 12.1559 k = 0.0091 0.0147-0.0000 ( 5045 PWs) bands (ev): -14.1771 -14.1770 -13.6689 -13.6689 -11.4197 -11.4195 -9.8778 -9.8638 -9.7347 -9.7190 -9.5043 -9.5032 -4.5297 -4.5257 -4.2768 -4.2705 -4.2609 -4.2607 -1.1902 -1.1805 -0.8856 -0.8833 -0.6929 -0.6903 0.0857 0.0937 0.1668 0.1682 1.1229 1.1249 1.3288 1.3301 2.1598 2.1600 2.6921 2.6921 2.9703 2.9727 3.1232 3.1252 3.4898 3.4900 3.6135 3.6164 3.8825 3.8827 4.0862 4.0878 7.3460 7.3461 9.2729 9.2742 10.5771 10.5773 10.8557 10.8558 12.1357 12.1457 k = 0.0182 0.0294-0.0000 ( 5037 PWs) bands (ev): -14.1760 -14.1760 -13.6690 -13.6690 -11.4180 -11.4177 -9.9313 -9.9156 -9.6891 -9.6698 -9.5035 -9.5015 -4.5620 -4.5561 -4.2595 -4.2581 -4.2385 -4.2293 -1.1970 -1.1775 -0.8904 -0.8857 -0.7032 -0.6976 0.0989 0.1146 0.1695 0.1724 1.1163 1.1204 1.3225 1.3250 2.1590 2.1595 2.6845 2.6845 2.9724 2.9774 3.1205 3.1247 3.4895 3.4898 3.5972 3.6027 3.8823 3.8827 4.0912 4.0941 7.3585 7.3586 9.2798 9.2823 10.5793 10.5796 10.8582 10.8584 12.0921 12.1087 k = 0.0273 0.0441-0.0000 ( 5035 PWs) bands (ev): -14.1743 -14.1742 -13.6691 -13.6691 -11.4151 -11.4146 -9.9895 -9.9740 -9.6405 -9.6194 -9.5020 -9.4990 -4.6012 -4.5949 -4.2554 -4.2538 -4.1876 -4.1759 -1.2057 -1.1761 -0.8975 -0.8906 -0.7180 -0.7084 0.1214 0.1439 0.1758 0.1798 1.1060 1.1121 1.3124 1.3162 2.1577 2.1584 2.6727 2.6727 2.9747 2.9825 3.1170 3.1237 3.4890 3.4896 3.5728 3.5806 3.8820 3.8826 4.0988 4.1029 7.3792 7.3794 9.2914 9.2952 10.5830 10.5835 10.8623 10.8627 12.0351 12.0552 k = 0.0364 0.0588-0.0000 ( 5023 PWs) bands (ev): -14.1719 -14.1718 -13.6693 -13.6693 -11.4109 -11.4103 -10.0499 -10.0350 -9.5927 -9.5704 -9.4996 -9.4956 -4.6420 -4.6360 -4.2499 -4.2479 -4.1290 -4.1157 -1.2167 -1.1770 -0.9070 -0.8979 -0.7350 -0.7206 0.1487 0.1695 0.1935 0.1959 1.0920 1.1001 1.2987 1.3037 2.1559 2.1569 2.6580 2.6580 2.9749 2.9858 3.1136 3.1231 3.4881 3.4892 3.5427 3.5522 3.8817 3.8824 4.1081 4.1129 7.4078 7.4080 9.3078 9.3128 10.5882 10.5888 10.8680 10.8684 11.9721 11.9939 k = 0.0455 0.0736-0.0000 ( 5031 PWs) bands (ev): -14.1689 -14.1687 -13.6695 -13.6695 -11.4056 -11.4048 -10.1118 -10.0976 -9.5471 -9.5234 -9.4961 -9.4915 -4.6820 -4.6766 -4.2428 -4.2404 -4.0656 -4.0511 -1.2308 -1.1812 -0.9189 -0.9076 -0.7515 -0.7319 0.1717 0.1812 0.2208 0.2384 1.0743 1.0842 1.2813 1.2874 2.1534 2.1547 2.6413 2.6413 2.9705 2.9843 3.1115 3.1235 3.4855 3.4887 3.5105 3.5197 3.8813 3.8822 4.1178 4.1230 7.4438 7.4441 9.3286 9.3349 10.5949 10.5955 10.8749 10.8755 11.9071 11.9297 k = 0.0546 0.0883-0.0000 ( 5031 PWs) bands (ev): -14.1651 -14.1649 -13.6698 -13.6697 -11.3991 -11.3981 -10.1748 -10.1613 -9.5062 -9.4895 -9.4870 -9.4784 -4.7200 -4.7154 -4.2342 -4.2313 -3.9989 -3.9834 -1.2486 -1.1898 -0.9331 -0.9197 -0.7650 -0.7401 0.1878 0.1913 0.2628 0.2895 1.0528 1.0645 1.2604 1.2676 2.1502 2.1518 2.6237 2.6237 2.9595 2.9755 3.1114 3.1256 3.4681 3.4840 3.4899 3.4920 3.8809 3.8819 4.1270 4.1325 7.4870 7.4872 9.3537 9.3611 10.6030 10.6037 10.8831 10.8838 11.8427 11.8657 k = 0.0636 0.1030-0.0000 ( 5025 PWs) bands (ev): -14.1607 -14.1605 -13.6701 -13.6701 -11.3913 -11.3902 -10.2386 -10.2258 -9.4904 -9.4811 -9.4597 -9.4367 -4.7555 -4.7516 -4.2239 -4.2206 -3.9296 -3.9132 -1.2703 -1.2036 -0.9496 -0.9340 -0.7732 -0.7438 0.2018 0.2024 0.3132 0.3454 1.0275 1.0410 1.2359 1.2443 2.1461 2.1482 2.6058 2.6059 2.9408 2.9579 3.1130 3.1287 3.4361 3.4517 3.4882 3.4893 3.8805 3.8817 4.1353 4.1409 7.5366 7.5368 9.3826 9.3912 10.6126 10.6133 10.8921 10.8929 11.7804 11.8036 k = 0.0727 0.1177-0.0000 ( 5018 PWs) bands (ev): -14.1557 -14.1555 -13.6705 -13.6704 -11.3823 -11.3810 -10.3030 -10.2909 -9.4843 -9.4748 -9.4224 -9.3977 -4.7881 -4.7850 -4.2122 -4.2084 -3.8584 -3.8412 -1.2958 -1.2231 -0.9685 -0.9507 -0.7747 -0.7420 0.2151 0.2163 0.3684 0.4044 0.9984 1.0134 1.2081 1.2176 2.1411 2.1436 2.5883 2.5883 2.9141 2.9316 3.1150 3.1317 3.4057 3.4208 3.4876 3.4883 3.8802 3.8814 4.1423 4.1478 7.5923 7.5924 9.4151 9.4247 10.6235 10.6242 10.9017 10.9026 11.7214 11.7446 k = 0.0818 0.1324-0.0000 ( 5024 PWs) bands (ev): -14.1501 -14.1498 -13.6709 -13.6708 -11.3721 -11.3707 -10.3678 -10.3564 -9.4780 -9.4677 -9.3875 -9.3617 -4.8175 -4.8152 -4.1989 -4.1947 -3.7856 -3.7676 -1.3247 -1.2479 -0.9898 -0.9696 -0.7689 -0.7343 0.2293 0.2319 0.4268 0.4659 0.9653 0.9819 1.1771 1.1877 2.1349 2.1380 2.5714 2.5714 2.8801 2.8971 3.1156 3.1334 3.3798 3.3940 3.4872 3.4876 3.8799 3.8813 4.1478 4.1533 7.6533 7.6533 9.4507 9.4614 10.6358 10.6363 10.9115 10.9125 11.6663 11.6896 k = 0.0909 0.1471-0.0000 ( 5024 PWs) bands (ev): -14.1439 -14.1436 -13.6714 -13.6713 -11.3607 -11.3591 -10.4328 -10.4221 -9.4713 -9.4600 -9.3555 -9.3289 -4.8437 -4.8421 -4.1841 -4.1795 -3.7114 -3.6928 -1.3565 -1.2772 -1.0133 -0.9908 -0.7559 -0.7209 0.2451 0.2489 0.4874 0.5289 0.9283 0.9463 1.1430 1.1548 2.1276 2.1312 2.5554 2.5555 2.8395 2.8557 3.1136 3.1325 3.3596 3.3723 3.4869 3.4872 3.8798 3.8813 4.1519 4.1572 7.7189 7.7192 9.4892 9.5008 10.6493 10.6496 10.9210 10.9222 11.6159 11.6393 k = 0.1000 0.1618-0.0000 ( 5040 PWs) bands (ev): -14.1371 -14.1368 -13.6719 -13.6718 -11.3480 -11.3462 -10.4979 -10.4878 -9.4639 -9.4517 -9.3267 -9.2994 -4.8667 -4.8657 -4.1678 -4.1629 -3.6362 -3.6169 -1.3902 -1.3099 -1.0391 -1.0141 -0.7365 -0.7020 0.2625 0.2675 0.5495 0.5929 0.8873 0.9066 1.1060 1.1190 2.1191 2.1233 2.5405 2.5408 2.7935 2.8086 3.1083 3.1284 3.3450 3.3559 3.4867 3.4869 3.8799 3.8814 4.1546 4.1597 7.7887 7.7892 9.5302 9.5426 10.6639 10.6639 10.9298 10.9311 11.5706 11.5941 k = 0.1091 0.1765-0.0000 ( 5040 PWs) bands (ev): -14.1298 -14.1295 -13.6725 -13.6723 -11.3341 -11.3321 -10.5630 -10.5535 -9.4560 -9.4428 -9.3011 -9.2731 -4.8864 -4.8860 -4.1502 -4.1449 -3.5602 -3.5404 -1.4252 -1.3447 -1.0670 -1.0396 -0.7113 -0.6780 0.2816 0.2876 0.6124 0.6571 0.8427 0.8626 1.0663 1.0807 2.1092 2.1141 2.5266 2.5272 2.7436 2.7575 3.0999 3.1209 3.3351 3.3441 3.4868 3.4869 3.8801 3.8817 4.1561 4.1609 7.8622 7.8629 9.5733 9.5864 10.6791 10.6795 10.9370 10.9386 11.5310 11.5546 k = 0.1182 0.1912-0.0000 ( 5032 PWs) bands (ev): -14.1220 -14.1216 -13.6730 -13.6729 -11.3189 -11.3167 -10.6279 -10.6190 -9.4475 -9.4333 -9.2787 -9.2502 -4.9030 -4.9029 -4.1311 -4.1255 -3.4835 -3.4633 -1.4607 -1.3806 -1.0970 -1.0672 -0.6812 -0.6495 0.3022 0.3093 0.6757 0.7188 0.7966 0.8145 1.0244 1.0401 2.0979 2.1035 2.5137 2.5146 2.6912 2.7038 3.0889 3.1106 3.3285 3.3359 3.4871 3.4873 3.8807 3.8823 4.1563 4.1609 7.9386 7.9397 9.6181 9.6319 10.6950 10.6961 10.9422 10.9442 11.4974 11.5213 k = 0.1273 0.2060-0.0000 ( 5034 PWs) bands (ev): -14.1137 -14.1133 -13.6737 -13.6736 -11.3024 -11.3000 -10.6925 -10.6841 -9.4386 -9.4234 -9.2596 -9.2307 -4.9169 -4.9163 -4.1108 -4.1049 -3.4065 -3.3858 -1.4960 -1.4168 -1.1290 -1.0967 -0.6467 -0.6170 0.3245 0.3326 0.7291 0.7381 0.7626 0.7976 0.9808 0.9973 2.0853 2.0916 2.5011 2.5026 2.6382 2.6494 3.0759 3.0981 3.3239 3.3300 3.4878 3.4879 3.8817 3.8832 4.1555 4.1599 8.0176 8.0191 9.6645 9.6788 10.7115 10.7132 10.9445 10.9469 11.4702 11.4945 k = 0.1364 0.2207-0.0000 ( 5040 PWs) bands (ev): -14.1050 -14.1046 -13.6744 -13.6742 -11.2847 -11.2821 -10.7566 -10.7488 -9.4292 -9.4130 -9.2438 -9.2145 -4.9277 -4.9267 -4.0892 -4.0830 -3.3293 -3.3083 -1.5306 -1.4524 -1.1627 -1.1280 -0.6086 -0.5808 0.3483 0.3575 0.6754 0.7046 0.8003 0.8580 0.9369 0.9529 2.0715 2.0785 2.4874 2.4900 2.5869 2.5964 3.0617 3.0841 3.3201 3.3251 3.4889 3.4890 3.8830 3.8845 4.1536 4.1578 8.0986 8.1005 9.7121 9.7268 10.7283 10.7308 10.9430 10.9462 11.4498 11.4745 k = 0.1455 0.2354-0.0000 ( 5038 PWs) bands (ev): -14.0959 -14.0954 -13.6751 -13.6750 -11.2657 -11.2628 -10.8202 -10.8129 -9.4193 -9.4022 -9.2311 -9.2015 -4.9357 -4.9344 -4.0664 -4.0599 -3.2521 -3.2308 -1.5639 -1.4870 -1.1982 -1.1610 -0.5671 -0.5413 0.3737 0.3840 0.6135 0.6432 0.8475 0.9051 0.9056 0.9231 2.0565 2.0641 2.4687 2.4735 2.5422 2.5490 3.0466 3.0691 3.3161 3.3204 3.4905 3.4907 3.8848 3.8863 4.1508 4.1548 8.1811 8.1836 9.7608 9.7757 10.7452 10.7487 10.9370 10.9410 11.4363 11.4616 k = 0.1546 0.2501-0.0000 ( 5040 PWs) bands (ev): -14.0863 -14.0859 -13.6758 -13.6757 -11.2454 -11.2423 -10.8832 -10.8763 -9.4092 -9.3911 -9.2215 -9.1917 -4.9411 -4.9395 -4.0425 -4.0358 -3.1751 -3.1535 -1.5957 -1.5200 -1.2351 -1.1956 -0.5229 -0.4991 0.4007 0.4120 0.5467 0.5773 0.8258 0.8592 0.9404 0.9860 2.0404 2.0487 2.4375 2.4454 2.5120 2.5155 3.0312 3.0535 3.3114 3.3151 3.4926 3.4928 3.8872 3.8886 4.1470 4.1508 8.2648 8.2677 9.8103 9.8254 10.7622 10.7664 10.9254 10.9306 11.4298 11.4560 k = 0.1637 0.2648-0.0000 ( 5032 PWs) bands (ev): -14.0765 -14.0760 -13.6766 -13.6765 -11.2237 -11.2205 -10.9454 -10.9390 -9.3988 -9.3797 -9.2148 -9.1849 -4.9441 -4.9423 -4.0176 -4.0107 -3.0984 -3.0767 -1.6255 -1.5510 -1.2734 -1.2315 -0.4762 -0.4543 0.4293 0.4415 0.4755 0.5071 0.7791 0.8111 0.9991 1.0491 2.0234 2.0322 2.3949 2.4041 2.4959 2.4978 3.0155 3.0376 3.3054 3.3088 3.4953 3.4957 3.8902 3.8916 4.1421 4.1459 8.3491 8.3527 9.8607 9.8758 10.7790 10.7837 10.9077 10.9141 11.4301 11.4577 k = 0.1727 0.2795-0.0000 ( 5040 PWs) bands (ev): -14.0664 -14.0658 -13.6774 -13.6773 -11.2008 -11.1973 -11.0068 -11.0008 -9.3881 -9.3681 -9.2110 -9.1811 -4.9449 -4.9430 -3.9917 -3.9846 -3.0223 -3.0005 -1.6529 -1.5798 -1.3128 -1.2686 -0.4275 -0.4075 0.3999 0.4311 0.4594 0.4739 0.7293 0.7622 1.0593 1.1113 2.0056 2.0149 2.3484 2.3578 2.4864 2.4880 2.9999 3.0217 3.2981 3.3013 3.4987 3.4992 3.8940 3.8952 4.1361 4.1399 8.4338 8.4380 9.9117 9.9267 10.7954 10.7998 10.8837 10.8908 11.4358 11.4660 k = 0.1818 0.2942-0.0000 ( 5034 PWs) bands (ev): -14.0560 -14.0554 -13.6783 -13.6782 -11.1766 -11.1728 -11.0673 -11.0617 -9.3774 -9.3565 -9.2098 -9.1800 -4.9439 -4.9419 -3.9649 -3.9577 -2.9469 -2.9250 -1.6779 -1.6061 -1.3530 -1.3067 -0.3772 -0.3590 0.3204 0.3525 0.4911 0.5064 0.6785 0.7128 1.1192 1.1726 1.9872 1.9969 2.3020 2.3115 2.4797 2.4812 2.9846 3.0059 3.2892 3.2924 3.5028 3.5035 3.8985 3.8995 4.1291 4.1328 8.5184 8.5233 9.9635 9.9783 10.8105 10.8109 10.8572 10.8608 11.4386 11.4460 k = 0.1909 0.3089-0.0000 ( 5038 PWs) bands (ev): -14.0454 -14.0448 -13.6792 -13.6790 -11.1514 -11.1471 -11.1264 -11.1215 -9.3666 -9.3448 -9.2111 -9.1815 -4.9413 -4.9393 -3.9375 -3.9302 -2.8723 -2.8505 -1.7001 -1.6295 -1.3938 -1.3454 -0.3257 -0.3094 0.2370 0.2693 0.5243 0.5408 0.6273 0.6634 1.1782 1.2327 1.9683 1.9784 2.2573 2.2668 2.4742 2.4758 2.9696 2.9904 3.2787 3.2819 3.5078 3.5087 3.9038 3.9047 4.1208 4.1245 8.6027 8.6084 10.0160 10.0304 10.7941 10.8126 10.8367 10.8498 11.4024 11.4183 k = 0.2000 0.3236-0.0000 ( 5044 PWs) bands (ev): -14.0346 -14.0340 -13.6800 -13.6799 -11.1855 -11.1804 -11.1239 -11.1198 -9.3558 -9.3332 -9.2148 -9.1854 -4.9373 -4.9354 -3.9093 -3.9020 -2.7987 -2.7770 -1.7193 -1.6500 -1.4349 -1.3844 -0.2735 -0.2590 0.1502 0.1824 0.5584 0.5715 0.5817 0.6147 1.2360 1.2916 1.9489 1.9594 2.2149 2.2244 2.4694 2.4709 2.9551 2.9754 3.2666 3.2699 3.5137 3.5148 3.9100 3.9108 4.1112 4.1150 8.6863 8.6929 10.0692 10.0832 10.7506 10.7712 10.8481 10.8621 11.3632 11.3883 k = 0.2091 0.3384-0.0000 ( 5038 PWs) bands (ev): -14.0237 -14.0230 -13.6809 -13.6808 -11.2427 -11.2380 -11.0958 -11.0914 -9.3452 -9.3218 -9.2206 -9.1915 -4.9324 -4.9305 -3.8807 -3.8734 -2.7263 -2.7048 -1.7354 -1.6673 -1.4760 -1.4235 -0.2210 -0.2085 0.0603 0.0920 0.5242 0.5603 0.6002 0.6160 1.2927 1.3492 1.9293 1.9401 2.1750 2.1848 2.4648 2.4663 2.9413 2.9609 3.2529 3.2565 3.5206 3.5219 3.9173 3.9179 4.1002 4.1041 8.7690 8.7765 10.1233 10.1368 10.6970 10.7185 10.8641 10.8780 11.3283 11.3600 k = 0.2182 0.3531-0.0000 ( 5038 PWs) bands (ev): -14.0127 -14.0120 -13.6818 -13.6818 -11.2987 -11.2944 -11.0664 -11.0616 -9.3349 -9.3107 -9.2283 -9.1996 -4.9267 -4.9248 -3.8517 -3.8444 -2.6552 -2.6339 -1.7483 -1.6814 -1.5166 -1.4624 -0.1689 -0.1593 -0.0316 -0.0015 0.4734 0.5127 0.6373 0.6560 1.3481 1.4054 1.9094 1.9204 2.1380 2.1480 2.4601 2.4615 2.9282 2.9472 3.2378 3.2417 3.5285 3.5301 3.9256 3.9260 4.0879 4.0918 8.8507 8.8590 10.1781 10.1911 10.6369 10.6592 10.8808 10.8948 11.2973 11.3344 k = 0.2273 0.3678-0.0000 ( 5044 PWs) bands (ev): -14.0016 -14.0010 -13.6827 -13.6827 -11.3535 -11.3495 -11.0356 -11.0305 -9.3249 -9.2999 -9.2377 -9.2095 -4.9205 -4.9187 -3.8225 -3.8153 -2.5855 -2.5646 -1.7579 -1.6920 -1.5563 -1.5005 -0.1405 -0.1196 -0.0963 -0.0957 0.4228 0.4637 0.6781 0.6980 1.4021 1.4602 1.8891 1.9004 2.1039 2.1143 2.4551 2.4564 2.9161 2.9343 3.2213 3.2254 3.5375 3.5393 3.9349 3.9352 4.0740 4.0781 8.9310 8.9403 10.2339 10.2463 10.5719 10.5948 10.8980 10.9122 11.2693 11.3113 k = 0.2364 0.3825-0.0000 ( 5038 PWs) bands (ev): -13.9906 -13.9899 -13.6836 -13.6836 -11.4070 -11.4033 -11.0035 -10.9981 -9.3153 -9.2897 -9.2487 -9.2210 -4.9140 -4.9124 -3.7932 -3.7861 -2.5174 -2.4969 -1.7641 -1.6992 -1.5947 -1.5376 -0.2305 -0.1974 -0.0666 -0.0559 0.3726 0.4149 0.7212 0.7423 1.4547 1.5136 1.8685 1.8799 2.0729 2.0839 2.4497 2.4507 2.9049 2.9224 3.2034 3.2080 3.5476 3.5497 3.9455 3.9456 4.0587 4.0630 9.0098 9.0201 10.2905 10.3022 10.5032 10.5263 10.9157 10.9301 11.2433 11.2899 k = 0.2455 0.3972-0.0000 ( 5034 PWs) bands (ev): -13.9796 -13.9789 -13.6845 -13.6845 -11.4591 -11.4557 -10.9701 -10.9645 -9.3063 -9.2800 -9.2610 -9.2339 -4.9075 -4.9060 -3.7640 -3.7570 -2.4510 -2.4309 -1.7671 -1.7029 -1.6313 -1.5732 -0.3298 -0.2980 -0.0187 -0.0101 0.3229 0.3663 0.7668 0.7888 1.5060 1.5656 1.8474 1.8589 2.0453 2.0567 2.4437 2.4443 2.8949 2.9116 3.1844 3.1893 3.5589 3.5612 3.9571 3.9572 4.0420 4.0464 9.0870 9.0983 10.3478 10.3590 10.4318 10.4548 10.9338 10.9484 11.2180 11.2688 k = 0.2546 0.4119-0.0000 ( 5026 PWs) bands (ev): -13.9686 -13.9680 -13.6854 -13.6854 -11.5097 -11.5066 -10.9355 -10.9295 -9.2981 -9.2744 -9.2711 -9.2480 -4.9012 -4.8998 -3.7350 -3.7282 -2.3864 -2.3669 -1.7672 -1.7031 -1.6652 -1.6069 -0.4312 -0.4004 0.0267 0.0338 0.2737 0.3181 0.8148 0.8376 1.5557 1.6161 1.8258 1.8371 2.0212 2.0331 2.4368 2.4371 2.8860 2.9019 3.1644 3.1696 3.5714 3.5740 3.9699 3.9700 4.0238 4.0283 9.1624 9.1747 10.3583 10.3810 10.4061 10.4165 10.9525 10.9672 11.1917 11.2463 k = 0.2637 0.4266-0.0000 ( 5018 PWs) bands (ev): -13.9578 -13.9572 -13.6862 -13.6862 -11.5589 -11.5560 -10.8996 -10.8933 -9.2906 -9.2888 -9.2632 -9.2630 -4.8953 -4.8940 -3.7064 -3.6999 -2.3239 -2.3049 -1.7652 -1.6997 -1.6952 -1.6382 -0.5340 -0.5042 0.0686 0.0748 0.2254 0.2702 0.8653 0.8889 1.6039 1.6652 1.8037 1.8147 2.0006 2.0129 2.4290 2.4291 2.8783 2.8934 3.1433 3.1489 3.5852 3.5880 3.9839 3.9840 4.0042 4.0089 9.2360 9.2492 10.2836 10.3059 10.4647 10.4746 10.9716 10.9863 11.1621 11.2195 k = 0.2728 0.4413-0.0000 ( 5022 PWs) bands (ev): -13.9472 -13.9465 -13.6871 -13.6871 -11.6066 -11.6038 -10.8625 -10.8558 -9.3040 -9.2841 -9.2790 -9.2560 -4.8898 -4.8886 -3.6783 -3.6721 -2.2634 -2.2450 -1.7644 -1.7176 -1.6929 -1.6668 -0.6378 -0.6090 0.1048 0.1122 0.1796 0.2227 0.9183 0.9425 1.6503 1.7128 1.7814 1.7915 1.9836 1.9962 2.4200 2.4205 2.8718 2.8861 3.1215 3.1274 3.6003 3.6032 3.9831 3.9880 3.9992 3.9993 9.3076 9.3218 10.2081 10.2298 10.5236 10.5329 10.9911 11.0057 11.1259 11.1842 k = 0.2818 0.4560-0.0000 ( 5020 PWs) bands (ev): -13.9368 -13.9361 -13.6878 -13.6878 -11.6526 -11.6501 -10.8243 -10.8172 -9.3198 -9.2956 -9.2786 -9.2501 -4.8848 -4.8837 -3.6509 -3.6450 -2.2051 -2.1873 -1.7729 -1.7238 -1.6923 -1.6824 -0.7421 -0.7144 0.1131 0.1439 0.1580 0.1773 0.9737 0.9986 1.6934 1.7581 1.7605 1.7685 1.9700 1.9829 2.4100 2.4110 2.8665 2.8801 3.0989 3.1050 3.6168 3.6198 3.9610 3.9660 4.0155 4.0155 9.3771 9.3923 10.1323 10.1533 10.5824 10.5914 11.0108 11.0249 11.0803 11.1364 k = 0.2909 0.4708-0.0000 ( 5028 PWs) bands (ev): -13.9266 -13.9259 -13.6886 -13.6885 -11.6971 -11.6948 -10.7848 -10.7773 -9.3360 -9.3126 -9.2744 -9.2455 -4.8806 -4.8796 -3.6244 -3.6187 -2.1492 -2.1320 -1.7894 -1.7151 -1.7141 -1.6689 -0.8468 -0.8201 0.0726 0.1247 0.1789 0.1812 1.0314 1.0569 1.7181 1.7430 1.7562 1.8041 1.9597 1.9729 2.3992 2.4006 2.8623 2.8752 3.0757 3.0820 3.6345 3.6376 3.9378 3.9429 4.0327 4.0329 9.4445 9.4607 10.0567 10.0769 10.6405 10.6495 11.0168 11.0378 11.0379 11.0813 k = 0.3000 0.4855-0.0000 ( 5028 PWs) bands (ev): -13.9167 -13.9160 -13.6893 -13.6892 -11.7399 -11.7377 -10.7443 -10.7364 -9.3525 -9.3300 -9.2715 -9.2422 -4.8770 -4.8761 -3.5986 -3.5933 -2.0958 -2.0791 -1.8057 -1.7322 -1.6992 -1.6520 -0.9514 -0.9258 0.0255 0.0782 0.2036 0.2066 1.0911 1.1172 1.7031 1.7185 1.7901 1.8472 1.9525 1.9658 2.3875 2.3893 2.8591 2.8715 3.0521 3.0585 3.6537 3.6568 3.9135 3.9187 4.0509 4.0512 9.5097 9.5268 9.9815 10.0009 10.6968 10.7067 10.9548 10.9910 11.0556 11.0762 k = 0.3091 0.5002-0.0000 ( 5036 PWs) bands (ev): -13.9071 -13.9064 -13.6899 -13.6898 -11.7810 -11.7790 -10.7027 -10.6944 -9.3692 -9.3475 -9.2700 -9.2405 -4.8742 -4.8733 -3.5739 -3.5688 -2.0450 -2.0286 -1.8187 -1.7461 -1.6791 -1.6321 -1.0555 -1.0311 -0.0225 0.0308 0.2247 0.2286 1.1525 1.1792 1.6807 1.6940 1.8300 1.8889 1.9480 1.9616 2.3750 2.3773 2.8566 2.8687 3.0284 3.0346 3.6743 3.6773 3.8884 3.8937 4.0698 4.0705 9.5726 9.5905 9.9072 9.9256 10.7483 10.7624 10.8862 10.9140 11.0782 11.0970 k = 0.3182 0.5149-0.0000 ( 5034 PWs) bands (ev): -13.8978 -13.8972 -13.6904 -13.6903 -11.8204 -11.8186 -10.6601 -10.6513 -9.3859 -9.3651 -9.2702 -9.2404 -4.8721 -4.8712 -3.5500 -3.5452 -1.9971 -1.9806 -1.8275 -1.7558 -1.6556 -1.6094 -1.1588 -1.1356 -0.0710 -0.0170 0.2418 0.2464 1.2152 1.2425 1.6575 1.6697 1.8693 1.9290 1.9461 1.9600 2.3620 2.3646 2.8546 2.8667 3.0047 3.0105 3.6962 3.6991 3.8627 3.8680 4.0895 4.0904 9.6330 9.6517 9.8341 9.8514 10.7689 10.8157 10.8334 10.8429 11.1030 11.1213 k = 0.3273 0.5296-0.0000 ( 5042 PWs) bands (ev): -13.8890 -13.8883 -13.6909 -13.6908 -11.8581 -11.8564 -10.6166 -10.6073 -9.4024 -9.3826 -9.2720 -9.2421 -4.8707 -4.8699 -3.5269 -3.5224 -1.9526 -1.9352 -1.8313 -1.7614 -1.6294 -1.5840 -1.2607 -1.2390 -0.1199 -0.0650 0.2547 0.2599 1.2788 1.3067 1.6345 1.6459 1.9071 1.9466 1.9610 1.9674 2.3485 2.3515 2.8526 2.8650 2.9815 2.9866 3.7196 3.7223 3.8364 3.8418 4.1095 4.1108 9.6905 9.7104 9.7629 9.7786 10.7128 10.7520 10.8663 10.8722 11.1303 11.1482 k = 0.3364 0.5443-0.0000 ( 5034 PWs) bands (ev): -13.8805 -13.8799 -13.6912 -13.6911 -11.8939 -11.8924 -10.5721 -10.5624 -9.4187 -9.3998 -9.2757 -9.2457 -4.8700 -4.8692 -3.5046 -3.5004 -1.9124 -1.8922 -1.8293 -1.7630 -1.6012 -1.5564 -1.3604 -1.3404 -0.1691 -0.1134 0.2636 0.2693 1.3426 1.3713 1.6121 1.6228 1.9422 1.9493 1.9653 2.0041 2.3347 2.3380 2.8499 2.8632 2.9595 2.9634 3.7443 3.7468 3.8098 3.8152 4.1298 4.1315 9.6904 9.7074 9.7483 9.7665 10.6403 10.6725 10.9123 10.9144 11.1610 11.1783 k = 0.3455 0.5590-0.0000 ( 5026 PWs) bands (ev): -13.8725 -13.8718 -13.6915 -13.6914 -11.9280 -11.9266 -10.5269 -10.5167 -9.4347 -9.4167 -9.2812 -9.2512 -4.8699 -4.8691 -3.4829 -3.4789 -1.8790 -1.8517 -1.8196 -1.7618 -1.5730 -1.5267 -1.4551 -1.4387 -0.2188 -0.1623 0.2687 0.2748 1.4062 1.4357 1.5906 1.6006 1.9540 1.9645 1.9827 2.0388 2.3207 2.3242 2.8453 2.8600 2.9399 2.9420 3.7702 3.7725 3.7833 3.7885 4.1502 4.1524 9.6230 9.6381 9.8003 9.8195 10.5674 10.5952 10.9533 10.9534 11.1956 11.2121 k = 0.3455 0.5590-0.0000 ( 5026 PWs) bands (ev): -13.8725 -13.8718 -13.6915 -13.6914 -11.9280 -11.9266 -10.5269 -10.5167 -9.4347 -9.4167 -9.2812 -9.2512 -4.8699 -4.8691 -3.4829 -3.4789 -1.8790 -1.8517 -1.8196 -1.7618 -1.5730 -1.5267 -1.4551 -1.4387 -0.2188 -0.1623 0.2687 0.2748 1.4062 1.4357 1.5906 1.6006 1.9540 1.9645 1.9827 2.0388 2.3207 2.3242 2.8453 2.8600 2.9399 2.9420 3.7702 3.7725 3.7833 3.7885 4.1502 4.1524 9.6230 9.6381 9.8003 9.8195 10.5674 10.5952 10.9533 10.9534 11.1956 11.2121 k = 0.3282 0.5590-0.0000 ( 5029 PWs) bands (ev): -13.8768 -13.8762 -13.6916 -13.6915 -11.9093 -11.9079 -10.5513 -10.5413 -9.4263 -9.4078 -9.2779 -9.2479 -4.8694 -4.8685 -3.4969 -3.4928 -1.9019 -1.8782 -1.8227 -1.7601 -1.5889 -1.5456 -1.3990 -1.3799 -0.1913 -0.1353 0.2655 0.2714 1.3714 1.4005 1.6020 1.6123 1.9335 1.9577 1.9797 2.0277 2.3284 2.3317 2.8480 2.8618 2.9509 2.9539 3.7555 3.7578 3.7979 3.8031 4.1395 4.1415 9.6519 9.6669 9.7781 9.7966 10.6051 10.6349 10.9333 10.9383 11.1768 11.1932 k = 0.3109 0.5590-0.0000 ( 5029 PWs) bands (ev): -13.8816 -13.8810 -13.6921 -13.6920 -11.8882 -11.8867 -10.5764 -10.5667 -9.4176 -9.3987 -9.2750 -9.2450 -4.8679 -4.8668 -3.5162 -3.5120 -1.9333 -1.9114 -1.8206 -1.7570 -1.6034 -1.5625 -1.3335 -1.3130 -0.1613 -0.1057 0.2595 0.2651 1.3336 1.3621 1.6138 1.6240 1.9024 1.9366 1.9907 2.0296 2.3365 2.3396 2.8496 2.8627 2.9646 2.9684 3.7404 3.7428 3.8125 3.8177 4.1292 4.1309 9.6620 9.6727 9.7746 9.7890 10.6406 10.6727 10.9177 10.9299 11.1589 11.1744 k = 0.2937 0.5590-0.0000 ( 5025 PWs) bands (ev): -13.8867 -13.8860 -13.6930 -13.6928 -11.8649 -11.8632 -10.6024 -10.5930 -9.4088 -9.3894 -9.2723 -9.2424 -4.8654 -4.8641 -3.5404 -3.5363 -1.9669 -1.9464 -1.8183 -1.7567 -1.6114 -1.5732 -1.2648 -1.2436 -0.1291 -0.0739 0.2512 0.2566 1.2931 1.3210 1.6243 1.6337 1.8719 1.9091 2.0052 2.0389 2.3447 2.3477 2.8500 2.8626 2.9805 2.9847 3.7255 3.7283 3.8261 3.8313 4.1197 4.1211 9.6495 9.6557 9.7909 9.8005 10.6710 10.7061 10.9089 10.9300 11.1418 11.1563 k = 0.2764 0.5590-0.0000 ( 5029 PWs) bands (ev): -13.8920 -13.8913 -13.6942 -13.6941 -11.8394 -11.8377 -10.6292 -10.6201 -9.3999 -9.3800 -9.2700 -9.2402 -4.8617 -4.8601 -3.5692 -3.5652 -2.0004 -1.9813 -1.8185 -1.7617 -1.6107 -1.5757 -1.1953 -1.1740 -0.0947 -0.0401 0.2412 0.2464 1.2501 1.2774 1.6307 1.6388 1.8460 1.8822 2.0213 2.0519 2.3529 2.3557 2.8494 2.8616 2.9976 3.0019 3.7113 3.7144 3.8382 3.8432 4.1114 4.1126 9.6243 9.6301 9.8136 9.8216 10.6945 10.7325 10.9089 10.9396 11.1256 11.1395 k = 0.2591 0.5590-0.0000 ( 5035 PWs) bands (ev): -13.8973 -13.8967 -13.6958 -13.6957 -11.8119 -11.8101 -10.6569 -10.6481 -9.3909 -9.3706 -9.2679 -9.2382 -4.8567 -4.8548 -3.6020 -3.5983 -2.0328 -2.0149 -1.8221 -1.7719 -1.6011 -1.5693 -1.1265 -1.1055 -0.0585 -0.0046 0.2303 0.2351 1.2048 1.2315 1.6277 1.6367 1.8293 1.8606 2.0385 2.0669 2.3607 2.3634 2.8478 2.8598 3.0153 3.0194 3.6981 3.7014 3.8481 3.8530 4.1050 4.1059 9.5957 9.6021 9.8360 9.8437 10.7111 10.7507 10.9184 10.9572 11.1111 11.1249 k = 0.2418 0.5590-0.0000 ( 5037 PWs) bands (ev): -13.9027 -13.9021 -13.6977 -13.6976 -11.7827 -11.7808 -10.6854 -10.6768 -9.3818 -9.3611 -9.2661 -9.2366 -4.8503 -4.8482 -3.6383 -3.6349 -2.0635 -2.0468 -1.8291 -1.7856 -1.5844 -1.5548 -1.0594 -1.0391 -0.0206 0.0323 0.2191 0.2238 1.1576 1.1837 1.6105 1.6255 1.8251 1.8487 2.0564 2.0830 2.3680 2.3708 2.8453 2.8571 3.0329 3.0366 3.6861 3.6897 3.8553 3.8598 4.1011 4.1016 9.5672 9.5741 9.8560 9.8636 10.7228 10.7620 10.9344 10.9783 11.0997 11.1139 k = 0.2246 0.5590-0.0000 ( 5037 PWs) bands (ev): -13.9081 -13.9075 -13.6998 -13.6997 -11.7519 -11.7499 -10.7147 -10.7064 -9.3729 -9.3518 -9.2647 -9.2353 -4.8426 -4.8403 -3.6774 -3.6744 -2.0923 -2.0767 -1.8387 -1.8011 -1.5622 -1.5337 -0.9949 -0.9755 0.0184 0.0698 0.2088 0.2138 1.1086 1.1342 1.5808 1.6031 1.8323 1.8483 2.0746 2.0997 2.3749 2.3777 2.8419 2.8536 3.0498 3.0530 3.6756 3.6795 3.8593 3.8635 4.0999 4.1001 9.5403 9.5474 9.8729 9.8803 10.7323 10.7696 10.9514 10.9965 11.0948 11.1080 k = 0.2073 0.5590-0.0000 ( 5037 PWs) bands (ev): -13.9133 -13.9127 -13.7021 -13.7019 -11.7198 -11.7177 -10.7447 -10.7368 -9.3640 -9.3425 -9.2635 -9.2344 -4.8334 -4.8309 -3.7187 -3.7162 -2.1190 -2.1045 -1.8497 -1.8171 -1.5359 -1.5081 -0.9336 -0.9155 0.0579 0.1061 0.2007 0.2073 1.0581 1.0832 1.5426 1.5706 1.8475 1.8579 2.0927 2.1164 2.3811 2.3841 2.8377 2.8493 3.0656 3.0683 3.6668 3.6708 3.8600 3.8638 4.1013 4.1017 9.5154 9.5225 9.8863 9.8935 10.7414 10.7762 10.9643 11.0054 11.1000 11.1089 k = 0.1900 0.5590-0.0000 ( 5035 PWs) bands (ev): -13.9183 -13.9178 -13.7044 -13.7043 -11.6866 -11.6843 -10.7754 -10.7678 -9.3553 -9.3335 -9.2626 -9.2338 -4.8229 -4.8202 -3.7616 -3.7595 -2.1435 -2.1301 -1.8613 -1.8329 -1.5066 -1.4795 -0.8764 -0.8598 0.0963 0.1364 0.1972 0.2101 1.0062 1.0310 1.4993 1.5311 1.8676 1.8744 2.1101 2.1326 2.3867 2.3898 2.8327 2.8441 3.0800 3.0823 3.6597 3.6639 3.8578 3.8611 4.1053 4.1059 9.4928 9.4998 9.8965 9.9034 10.7511 10.7831 10.9704 11.0039 11.1144 11.1165 k = 0.1727 0.5590-0.0000 ( 5041 PWs) bands (ev): -13.9231 -13.9226 -13.7068 -13.7067 -11.6524 -11.6500 -10.8067 -10.7994 -9.3468 -9.3247 -9.2621 -9.2336 -4.8109 -4.8082 -3.8052 -3.8035 -2.1658 -2.1535 -1.8728 -1.8480 -1.4754 -1.4490 -0.8240 -0.8093 0.1293 0.1536 0.2027 0.2304 0.9534 0.9777 1.4530 1.4873 1.8906 1.8954 2.1264 2.1477 2.3918 2.3949 2.8269 2.8381 3.0928 3.0946 3.6544 3.6587 3.8530 3.8560 4.1114 4.1122 9.4725 9.4792 9.9038 9.9103 10.7619 10.7910 10.9708 10.9968 11.1283 11.1322 k = 0.1555 0.5590-0.0000 ( 5035 PWs) bands (ev): -13.9276 -13.9271 -13.7091 -13.7090 -11.6177 -11.6152 -10.8384 -10.8315 -9.3386 -9.3162 -9.2618 -9.2337 -4.7978 -4.7949 -3.8489 -3.8477 -2.1858 -2.1747 -1.8837 -1.8621 -1.4430 -1.4177 -0.7771 -0.7646 0.1501 0.1621 0.2244 0.2649 0.8996 0.9237 1.4053 1.4408 1.9153 1.9193 2.1411 2.1611 2.3963 2.3994 2.8206 2.8314 3.1039 3.1054 3.6508 3.6550 3.8465 3.8491 4.1189 4.1199 9.4546 9.4610 9.9086 9.9147 10.7737 10.7998 10.9677 10.9879 11.1413 11.1489 k = 0.1382 0.5590-0.0000 ( 5034 PWs) bands (ev): -13.9317 -13.9313 -13.7114 -13.7113 -11.5827 -11.5801 -10.8704 -10.8638 -9.3307 -9.3082 -9.2618 -9.2342 -4.7836 -4.7807 -3.8919 -3.8911 -2.2036 -2.1937 -1.8938 -1.8750 -1.4104 -1.3865 -0.7366 -0.7264 0.1613 0.1717 0.2598 0.3050 0.8453 0.8690 1.3570 1.3931 1.9410 1.9449 2.1535 2.1724 2.4004 2.4034 2.8138 2.8242 3.1133 3.1145 3.6487 3.6527 3.8390 3.8412 4.1272 4.1283 9.4391 9.4450 9.9114 9.9171 10.7860 10.8091 10.9633 10.9788 11.1534 11.1627 k = 0.1209 0.5590-0.0000 ( 5032 PWs) bands (ev): -13.9354 -13.9351 -13.7135 -13.7134 -11.5477 -11.5450 -10.9023 -10.8961 -9.3232 -9.3006 -9.2621 -9.2350 -4.7686 -4.7658 -3.9334 -3.9329 -2.2192 -2.2104 -1.9028 -1.8867 -1.3784 -1.3562 -0.7029 -0.6951 0.1729 0.1852 0.3007 0.3467 0.7905 0.8140 1.3093 1.3451 1.9672 1.9715 2.1633 2.1808 2.4043 2.4070 2.8069 2.8166 3.1210 3.1222 3.6479 3.6516 3.8310 3.8329 4.1357 4.1368 9.4259 9.4312 9.9128 9.9179 10.7984 10.8185 10.9587 10.9705 11.1637 11.1735 k = 0.1036 0.5590-0.0000 ( 5034 PWs) bands (ev): -13.9387 -13.9384 -13.7154 -13.7153 -11.5134 -11.5106 -10.9337 -10.9280 -9.3161 -9.2937 -9.2625 -9.2363 -4.7533 -4.7507 -3.9726 -3.9724 -2.2326 -2.2250 -1.9106 -1.8970 -1.3478 -1.3277 -0.6762 -0.6705 0.1891 0.2038 0.3428 0.3879 0.7357 0.7588 1.2630 1.2978 1.9935 1.9982 2.1699 2.1861 2.4079 2.4103 2.8001 2.8089 3.1274 3.1284 3.6480 3.6514 3.8232 3.8248 4.1439 4.1450 9.4148 9.4195 9.9131 9.9176 10.8103 10.8273 10.9546 10.9633 11.1720 11.1813 k = 0.0864 0.5590-0.0000 ( 5035 PWs) bands (ev): -13.9416 -13.9413 -13.7171 -13.7171 -11.4802 -11.4775 -10.9642 -10.9590 -9.3095 -9.2877 -9.2629 -9.2379 -4.7382 -4.7358 -4.0086 -4.0085 -2.2438 -2.2374 -1.9171 -1.9059 -1.3194 -1.3017 -0.6563 -0.6523 0.2112 0.2283 0.3841 0.4272 0.6813 0.7040 1.2194 1.2522 2.0194 2.0248 2.1729 2.1877 2.4114 2.4134 2.7937 2.8015 3.1324 3.1334 3.6487 3.6516 3.8159 3.8172 4.1514 4.1524 9.4058 9.4098 9.9127 9.9166 10.8213 10.8352 10.9514 10.9575 11.1785 11.1868 k = 0.0691 0.5590-0.0000 ( 5037 PWs) bands (ev): -13.9440 -13.9437 -13.7186 -13.7185 -11.4491 -11.4466 -10.9928 -10.9882 -9.3034 -9.2830 -9.2629 -9.2400 -4.7240 -4.7219 -4.0404 -4.0402 -2.2528 -2.2477 -1.9224 -1.9135 -1.2941 -1.2793 -0.6424 -0.6396 0.2393 0.2585 0.4224 0.4629 0.6279 0.6499 1.1801 1.2096 2.0446 2.0506 2.1722 2.1856 2.4145 2.4162 2.7881 2.7947 3.1363 3.1372 3.6498 3.6522 3.8096 3.8107 4.1580 4.1588 9.3987 9.4020 9.9121 9.9152 10.8309 10.8417 10.9490 10.9530 11.1835 11.1904 k = 0.0518 0.5590-0.0000 ( 5037 PWs) bands (ev): -13.9458 -13.9456 -13.7197 -13.7197 -11.4214 -11.4191 -11.0183 -11.0145 -9.2977 -9.2804 -9.2618 -9.2425 -4.7114 -4.7097 -4.0668 -4.0665 -2.2596 -2.2558 -1.9262 -1.9196 -1.2728 -1.2612 -0.6334 -0.6314 0.2728 0.2936 0.4549 0.4929 0.5768 0.5979 1.1469 1.1717 2.0686 2.0752 2.1676 2.1797 2.4174 2.4186 2.7835 2.7887 3.1393 3.1399 3.6509 3.6528 3.8046 3.8053 4.1633 4.1639 9.3934 9.3959 9.9114 9.9138 10.8388 10.8466 10.9475 10.9499 11.1873 11.1925 k = 0.0345 0.5590-0.0000 ( 5035 PWs) bands (ev): -13.9471 -13.9470 -13.7206 -13.7205 -11.3987 -11.3970 -11.0389 -11.0362 -9.2927 -9.2801 -9.2593 -9.2454 -4.7015 -4.7003 -4.0867 -4.0864 -2.2643 -2.2617 -1.9286 -1.9243 -1.2562 -1.2482 -0.6280 -0.6267 0.3105 0.3322 0.4728 0.5126 0.5332 0.5535 1.1222 1.1404 2.0910 2.0981 2.1594 2.1702 2.4196 2.4205 2.7803 2.7839 3.1413 3.1418 3.6520 3.6533 3.8008 3.8013 4.1672 4.1677 9.3898 9.3915 9.9109 9.9125 10.8447 10.8498 10.9467 10.9480 11.1900 11.1936 k = 0.0173 0.5590-0.0000 ( 5032 PWs) bands (ev): -13.9479 -13.9479 -13.7211 -13.7210 -11.3835 -11.3825 -11.0524 -11.0510 -9.2883 -9.2817 -9.2559 -9.2487 -4.6949 -4.6943 -4.0990 -4.0989 -2.2669 -2.2656 -1.9297 -1.9275 -1.2451 -1.2410 -0.6252 -0.6245 0.3500 0.3700 0.4587 0.4857 0.5305 0.5384 1.1083 1.1180 2.1109 2.1182 2.1486 2.1577 2.4212 2.4216 2.7787 2.7805 3.1426 3.1428 3.6528 3.6535 3.7986 3.7989 4.1697 4.1699 9.3879 9.3887 9.9108 9.9116 10.8488 10.8513 10.9463 10.9469 11.1920 11.1938 k = 0.0000 0.5590-0.0000 ( 5032 PWs) bands (ev): -13.9482 -13.9482 -13.7212 -13.7212 -11.3777 -11.3777 -11.0567 -11.0567 -9.2845 -9.2845 -9.2522 -9.2522 -4.6925 -4.6925 -4.1032 -4.1032 -2.2673 -2.2673 -1.9293 -1.9293 -1.2399 -1.2399 -0.6241 -0.6241 0.3819 0.3819 0.4511 0.4511 0.5370 0.5370 1.1069 1.1069 2.1257 2.1257 2.1448 2.1448 2.4219 2.4219 2.7788 2.7788 3.1431 3.1431 3.6533 3.6533 3.7980 3.7980 4.1706 4.1706 9.3875 9.3875 9.9110 9.9110 10.8509 10.8509 10.9464 10.9464 11.1932 11.1932 k = 0.0000 0.5590-0.0000 ( 5032 PWs) bands (ev): -13.9482 -13.9482 -13.7212 -13.7212 -11.3777 -11.3777 -11.0567 -11.0567 -9.2845 -9.2845 -9.2522 -9.2522 -4.6925 -4.6925 -4.1032 -4.1032 -2.2673 -2.2673 -1.9293 -1.9293 -1.2399 -1.2399 -0.6241 -0.6241 0.3819 0.3819 0.4511 0.4511 0.5370 0.5370 1.1069 1.1069 2.1257 2.1257 2.1448 2.1448 2.4219 2.4219 2.7788 2.7788 3.1431 3.1431 3.6533 3.6533 3.7980 3.7980 4.1706 4.1706 9.3875 9.3875 9.9110 9.9110 10.8509 10.8509 10.9464 10.9464 11.1932 11.1932 k = 0.0000 0.5590 0.0173 ( 5036 PWs) bands (ev): -13.9480 -13.9479 -13.7213 -13.7213 -11.3768 -11.3768 -11.0561 -11.0560 -9.2867 -9.2862 -9.2544 -9.2543 -4.6910 -4.6908 -4.1019 -4.1009 -2.2686 -2.2678 -1.9273 -1.9263 -1.2383 -1.2376 -0.6277 -0.6259 0.3744 0.3757 0.4447 0.4524 0.5415 0.5472 1.1082 1.1101 2.1254 2.1267 2.1406 2.1408 2.4248 2.4259 2.7789 2.7794 3.1424 3.1425 3.6536 3.6538 3.7982 3.7984 4.1703 4.1704 9.3846 9.3861 9.9094 9.9097 10.7903 10.7953 11.0008 11.0077 11.1922 11.1932 k = 0.0000 0.5590 0.0346 ( 5034 PWs) bands (ev): -13.9473 -13.9473 -13.7215 -13.7215 -11.3741 -11.3741 -11.0541 -11.0539 -9.2928 -9.2917 -9.2609 -9.2605 -4.6865 -4.6860 -4.0971 -4.0952 -2.2717 -2.2702 -1.9204 -1.9184 -1.2328 -1.2313 -0.6366 -0.6332 0.3568 0.3588 0.4348 0.4471 0.5586 0.5676 1.1141 1.1178 2.1217 2.1252 2.1319 2.1333 2.4341 2.4363 2.7799 2.7807 3.1405 3.1407 3.6546 3.6550 3.7991 3.7996 4.1695 4.1698 9.3773 9.3804 9.9050 9.9057 10.7020 10.7075 11.0847 11.0964 11.1897 11.1941 k = 0.0000 0.5590 0.0519 ( 5032 PWs) bands (ev): -13.9462 -13.9462 -13.7218 -13.7218 -11.3696 -11.3696 -11.0508 -11.0504 -9.3026 -9.3010 -9.2715 -9.2710 -4.6790 -4.6782 -4.0889 -4.0860 -2.2767 -2.2744 -1.9086 -1.9057 -1.2233 -1.2211 -0.6509 -0.6459 0.3341 0.3367 0.4215 0.4364 0.5826 0.5933 1.1240 1.1292 2.1047 2.1072 2.1337 2.1342 2.4483 2.4513 2.7817 2.7829 3.1374 3.1376 3.6562 3.6568 3.8008 3.8015 4.1683 4.1686 9.3661 9.3706 9.8979 9.8986 10.6124 10.6186 11.1514 11.1815 11.1898 11.2114 k = 0.0000 0.5590 0.0692 ( 5024 PWs) bands (ev): -13.9447 -13.9446 -13.7223 -13.7222 -11.3634 -11.3633 -11.0461 -11.0455 -9.3162 -9.3141 -9.2861 -9.2854 -4.6685 -4.6674 -4.0773 -4.0736 -2.2836 -2.2805 -1.8921 -1.8882 -1.2098 -1.2068 -0.6703 -0.6638 0.3097 0.3130 0.4049 0.4217 0.6093 0.6210 1.1371 1.1438 2.0805 2.0827 2.1376 2.1391 2.4658 2.4694 2.7843 2.7858 3.1330 3.1333 3.6585 3.6593 3.8030 3.8040 4.1666 4.1670 9.3516 9.3574 9.8880 9.8886 10.5250 10.5323 11.1651 11.1792 11.2720 11.2765 k = 0.0000 0.5590 0.0865 ( 5022 PWs) bands (ev): -13.9427 -13.9427 -13.7229 -13.7228 -11.3553 -11.3552 -11.0400 -11.0393 -9.3335 -9.3308 -9.3047 -9.3038 -4.6551 -4.6537 -4.0626 -4.0579 -2.2924 -2.2885 -1.8711 -1.8661 -1.1923 -1.1885 -0.6944 -0.6866 0.2858 0.2899 0.3855 0.4041 0.6365 0.6490 1.1527 1.1605 2.0524 2.0544 2.1428 2.1452 2.4850 2.4891 2.7876 2.7895 3.1275 3.1279 3.6612 3.6623 3.8058 3.8071 4.1643 4.1649 9.3344 9.3414 9.8753 9.8754 10.4414 10.4502 11.1611 11.1717 11.3515 11.3517 k = 0.0000 0.5590 0.1038 ( 5024 PWs) bands (ev): -13.9404 -13.9403 -13.7236 -13.7235 -11.3455 -11.3454 -11.0325 -11.0317 -9.3543 -9.3511 -9.3269 -9.3258 -4.6389 -4.6373 -4.0448 -4.0393 -2.3030 -2.2985 -1.8460 -1.8399 -1.1706 -1.1661 -0.7229 -0.7139 0.2633 0.2682 0.3641 0.3842 0.6630 0.6763 1.1698 1.1785 2.0217 2.0235 2.1490 2.1520 2.5050 2.5094 2.7917 2.7938 3.1209 3.1212 3.6643 3.6657 3.8092 3.8107 4.1615 4.1622 9.3154 9.3234 9.8587 9.8599 10.3628 10.3736 11.1532 11.1625 11.4205 11.4232 k = 0.0000 0.5590 0.1211 ( 5024 PWs) bands (ev): -13.9376 -13.9375 -13.7245 -13.7244 -11.3338 -11.3337 -11.0237 -11.0228 -9.3786 -9.3749 -9.3525 -9.3513 -4.6201 -4.6182 -4.0242 -4.0180 -2.3156 -2.3105 -1.8171 -1.8097 -1.1448 -1.1396 -0.7551 -0.7453 0.2429 0.2485 0.3414 0.3629 0.6882 0.7020 1.1876 1.1970 1.9893 1.9910 2.1557 2.1594 2.5251 2.5297 2.7964 2.7988 3.1132 3.1136 3.6676 3.6693 3.8130 3.8147 4.1582 4.1590 9.2954 9.3043 9.8387 9.8416 10.2902 10.3036 11.1434 11.1520 11.4801 11.4847 k = 0.0000 0.5590 0.1383 ( 5030 PWs) bands (ev): -13.9344 -13.9343 -13.7255 -13.7254 -11.3204 -11.3203 -11.0135 -11.0125 -9.4062 -9.4021 -9.3812 -9.3799 -4.5987 -4.5966 -4.0011 -3.9941 -2.3301 -2.3245 -1.7851 -1.7763 -1.1148 -1.1090 -0.7902 -0.7799 0.2248 0.2312 0.3181 0.3409 0.7115 0.7259 1.2051 1.2152 1.9558 1.9573 2.1625 2.1670 2.5447 2.5495 2.8018 2.8043 3.1048 3.1050 3.6709 3.6729 3.8172 3.8192 4.1543 4.1553 9.2754 9.2851 9.8153 9.8204 10.2247 10.2412 11.1319 11.1401 11.5294 11.5357 k = 0.0000 0.5590 0.1556 ( 5030 PWs) bands (ev): -13.9309 -13.9307 -13.7267 -13.7266 -11.3053 -11.3051 -11.0020 -11.0008 -9.4370 -9.4327 -9.4126 -9.4113 -4.5751 -4.5727 -3.9758 -3.9681 -2.3464 -2.3403 -1.7506 -1.7404 -1.0807 -1.0744 -0.8272 -0.8166 0.2093 0.2163 0.2948 0.3186 0.7328 0.7477 1.2216 1.2322 1.9218 1.9232 2.1691 2.1743 2.5635 2.5685 2.8076 2.8102 3.0956 3.0957 3.6738 3.6763 3.8218 3.8241 4.1499 4.1510 9.2563 9.2668 9.7889 9.7965 10.1669 10.1868 11.1191 11.1269 11.5690 11.5767 k = 0.0000 0.5590 0.1729 ( 5022 PWs) bands (ev): -13.9270 -13.9268 -13.7281 -13.7280 -11.2884 -11.2882 -10.9891 -10.9878 -9.4710 -9.4666 -9.4462 -9.4452 -4.5492 -4.5465 -3.9484 -3.9402 -2.3643 -2.3578 -1.7148 -1.7030 -1.0427 -1.0359 -0.8645 -0.8541 0.1962 0.2037 0.2718 0.2966 0.7517 0.7670 1.2362 1.2473 1.8879 1.8893 2.1750 2.1811 2.5812 2.5862 2.8136 2.8163 3.0861 3.0862 3.6763 3.6791 3.8269 3.8293 4.1449 4.1461 9.2390 9.2501 9.7602 9.7705 10.1172 10.1406 11.1050 11.1125 11.6003 11.6092 k = 0.0000 0.5590 0.1902 ( 5028 PWs) bands (ev): -13.9227 -13.9226 -13.7296 -13.7295 -11.2697 -11.2695 -10.9748 -10.9734 -9.5079 -9.5037 -9.4818 -9.4812 -4.5213 -4.5184 -3.9195 -3.9108 -2.3836 -2.3769 -1.6792 -1.6655 -1.0013 -0.9947 -0.8995 -0.8903 0.1856 0.1934 0.2498 0.2752 0.7683 0.7840 1.2482 1.2598 1.8546 1.8560 2.1798 2.1867 2.5977 2.6027 2.8195 2.8222 3.0765 3.0769 3.6779 3.6810 3.8324 3.8350 4.1393 4.1406 9.2242 9.2360 9.7305 9.7432 10.0754 10.1021 11.0895 11.0970 11.6249 11.6349 k = 0.0000 0.5590 0.2075 ( 5026 PWs) bands (ev): -13.9182 -13.9180 -13.7313 -13.7312 -11.2493 -11.2491 -10.9592 -10.9577 -9.5476 -9.5437 -9.5192 -9.5190 -4.4916 -4.4883 -3.8894 -3.8802 -2.4041 -2.3973 -1.6458 -1.6302 -0.9602 -0.9598 -0.9210 -0.9192 0.1772 0.1850 0.2289 0.2549 0.7824 0.7983 1.2568 1.2688 1.8226 1.8240 2.1831 2.1909 2.6127 2.6177 2.8248 2.8274 3.0675 3.0683 3.6782 3.6818 3.8384 3.8412 4.1332 4.1346 9.2129 9.2252 9.7013 9.7162 10.0409 10.0705 11.0728 11.0803 11.6441 11.6551 k = 0.0000 0.5590 0.2248 ( 5028 PWs) bands (ev): -13.9133 -13.9132 -13.7332 -13.7331 -11.2272 -11.2269 -10.9423 -10.9406 -9.5898 -9.5863 -9.5584 -9.5581 -4.4601 -4.4566 -3.8584 -3.8490 -2.4255 -2.4187 -1.6176 -1.5999 -0.9691 -0.9588 -0.8985 -0.8883 0.1710 0.1783 0.2100 0.2357 0.7940 0.8102 1.2612 1.2736 1.7926 1.7940 2.1845 2.1931 2.6263 2.6312 2.8288 2.8313 3.0601 3.0612 3.6770 3.6809 3.8450 3.8478 4.1265 4.1281 9.2055 9.2185 9.6743 9.6909 10.0128 10.0448 11.0548 11.0623 11.6588 11.6708 k = 0.0000 0.5590 0.2421 ( 5034 PWs) bands (ev): -13.9082 -13.9080 -13.7353 -13.7352 -11.2034 -11.2031 -10.9240 -10.9222 -9.6342 -9.6311 -9.5993 -9.5984 -4.4270 -4.4233 -3.8271 -3.8176 -2.4474 -2.4407 -1.5979 -1.5782 -0.9840 -0.9742 -0.8478 -0.8367 0.1667 0.1719 0.1941 0.2181 0.8031 0.8195 1.2605 1.2734 1.7652 1.7669 2.1834 2.1929 2.6382 2.6431 2.8309 2.8331 3.0550 3.0566 3.6740 3.6781 3.8522 3.8551 4.1193 4.1210 9.2028 9.2164 9.6510 9.6689 9.9901 10.0241 11.0355 11.0432 11.6694 11.6825 k = 0.0000 0.5590 0.2594 ( 5038 PWs) bands (ev): -13.9028 -13.9026 -13.7376 -13.7375 -11.1779 -11.1776 -10.9044 -10.9025 -9.6806 -9.6777 -9.6413 -9.6400 -4.3925 -4.3885 -3.7959 -3.7864 -2.4692 -2.4628 -1.5903 -1.5689 -0.9871 -0.9778 -0.7923 -0.7805 0.1634 0.1642 0.1842 0.2023 0.8097 0.8262 1.2539 1.2673 1.7414 1.7431 2.1796 2.1900 2.6485 2.6534 2.8302 2.8321 3.0533 3.0552 3.6689 3.6732 3.8600 3.8628 4.1118 4.1135 9.2051 9.2194 9.6329 9.6516 9.9719 10.0075 11.0149 11.0228 11.6761 11.6904 k = 0.0000 0.5590 0.2767 ( 5034 PWs) bands (ev): -13.8973 -13.8970 -13.7401 -13.7399 -11.1508 -11.1505 -10.8836 -10.8815 -9.7285 -9.7259 -9.6844 -9.6827 -4.3568 -4.3525 -3.7654 -3.7560 -2.4904 -2.4846 -1.5968 -1.5742 -0.9752 -0.9657 -0.7338 -0.7214 0.1519 0.1630 0.1809 0.1888 0.8138 0.8303 1.2410 1.2547 1.7215 1.7234 2.1728 2.1839 2.6573 2.6621 2.8265 2.8278 3.0555 3.0577 3.6615 3.6660 3.8684 3.8711 4.1038 4.1056 9.2127 9.2278 9.6208 9.6401 9.9575 9.9944 10.9928 11.0011 11.6784 11.6943 k = 0.0000 0.5590 0.2940 ( 5032 PWs) bands (ev): -13.8915 -13.8912 -13.7428 -13.7426 -11.1221 -11.1217 -10.8615 -10.8593 -9.7776 -9.7753 -9.7283 -9.7262 -4.3199 -4.3154 -3.7362 -3.7272 -2.5104 -2.5052 -1.6173 -1.5942 -0.9482 -0.9378 -0.6731 -0.6601 0.1404 0.1622 0.1789 0.1815 0.8154 0.8318 1.2213 1.2355 1.7061 1.7081 2.1626 2.1746 2.6645 2.6692 2.8196 2.8204 3.0619 3.0644 3.6518 3.6565 3.8773 3.8799 4.0956 4.0975 9.2260 9.2419 9.6156 9.6352 9.9463 9.9843 10.9692 10.9780 11.6758 11.6937 k = 0.0000 0.5590 0.3113 ( 5032 PWs) bands (ev): -13.8855 -13.8852 -13.7458 -13.7456 -11.0918 -11.0914 -10.8382 -10.8359 -9.8278 -9.8257 -9.7729 -9.7706 -4.2819 -4.2772 -3.7090 -3.7005 -2.5284 -2.5242 -1.6497 -1.6266 -0.9083 -0.8965 -0.6110 -0.5973 0.1306 0.1588 0.1756 0.1849 0.8144 0.8306 1.1951 1.2096 1.6949 1.6970 2.1490 2.1617 2.6702 2.6749 2.8101 2.8101 3.0722 3.0749 3.6399 3.6446 3.8866 3.8889 4.0872 4.0891 9.2449 9.2618 9.6178 9.6375 9.9378 9.9766 10.9442 10.9534 11.6667 11.6874 k = 0.0000 0.5590 0.3286 ( 5036 PWs) bands (ev): -13.8794 -13.8791 -13.7489 -13.7487 -11.0600 -11.0595 -10.8137 -10.8114 -9.8787 -9.8767 -9.8180 -9.8154 -4.2431 -4.2382 -3.6845 -3.6766 -2.5437 -2.5405 -1.6913 -1.6685 -0.8586 -0.8451 -0.5483 -0.5342 0.1233 0.1535 0.1789 0.1905 0.8107 0.8267 1.1626 1.1774 1.6878 1.6900 2.1320 2.1452 2.6745 2.6791 2.7979 2.7985 3.0859 3.0888 3.6257 3.6306 3.8961 3.8982 4.0787 4.0807 9.2693 9.2873 9.6277 9.6473 9.9316 9.9711 10.9175 10.9272 11.6487 11.6736 k = 0.0000 0.5590 0.3459 ( 5036 PWs) bands (ev): -13.8731 -13.8729 -13.7523 -13.7521 -11.0267 -11.0262 -10.7882 -10.7858 -9.9299 -9.9281 -9.8633 -9.8605 -4.2036 -4.1984 -3.6634 -3.6564 -2.5555 -2.5536 -1.7393 -1.7169 -0.8021 -0.7866 -0.4861 -0.4716 0.1193 0.1498 0.1858 0.1985 0.8042 0.8198 1.1245 1.1397 1.6842 1.6864 2.1115 2.1252 2.6776 2.6822 2.7845 2.7858 3.1024 3.1054 3.6096 3.6145 3.9056 3.9075 4.0703 4.0723 9.2992 9.3184 9.6453 9.6647 9.9274 9.9675 10.8890 10.8993 11.6134 11.6456 k = 0.0000 0.5590 0.3632 ( 5036 PWs) bands (ev): -13.8668 -13.8666 -13.7559 -13.7557 -10.9919 -10.9914 -10.7618 -10.7593 -9.9812 -9.9796 -9.9087 -9.9058 -4.1634 -4.1581 -3.6464 -3.6405 -2.5628 -2.5624 -1.7917 -1.7699 -0.7413 -0.7237 -0.4255 -0.4113 0.1195 0.1493 0.1956 0.2089 0.7947 0.8099 1.0815 1.0971 1.6836 1.6859 2.0879 2.1019 2.6796 2.6842 2.7706 2.7726 3.1211 3.1242 3.5916 3.5965 3.9151 3.9167 4.0619 4.0639 9.3341 9.3547 9.6707 9.6894 9.9250 9.9653 10.8585 10.8695 11.5493 11.5821 k = 0.0000 0.5590 0.3804 ( 5028 PWs) bands (ev): -13.8604 -13.8602 -13.7598 -13.7595 -10.9559 -10.9554 -10.7346 -10.7320 -10.0323 -10.0307 -9.9540 -9.9509 -4.1228 -4.1173 -3.6343 -3.6296 -2.5664 -2.5650 -1.8470 -1.8257 -0.6782 -0.6585 -0.3684 -0.3551 0.1252 0.1532 0.2085 0.2222 0.7820 0.7967 1.0343 1.0504 1.6856 1.6880 2.0614 2.0756 2.6807 2.6853 2.7569 2.7595 3.1414 3.1447 3.5719 3.5769 3.9244 3.9258 4.0538 4.0557 9.3736 9.3958 9.7034 9.7209 9.9244 9.9643 10.8258 10.8373 11.4732 11.5057 k = 0.0000 0.5590 0.3977 ( 5024 PWs) bands (ev): -13.8540 -13.8537 -13.7638 -13.7636 -10.9186 -10.9181 -10.7070 -10.7043 -10.0826 -10.0811 -9.9989 -9.9958 -4.0819 -4.0763 -3.6276 -3.6242 -2.5647 -2.5616 -1.9040 -1.8832 -0.6147 -0.5930 -0.3166 -0.3053 0.1379 0.1627 0.2248 0.2387 0.7659 0.7799 0.9835 1.0002 1.6897 1.6924 2.0327 2.0468 2.6811 2.6856 2.7439 2.7470 3.1631 3.1665 3.5509 3.5558 3.9334 3.9345 4.0459 4.0478 9.4170 9.4409 9.7428 9.7580 9.9259 9.9644 10.7902 10.8023 11.3949 11.4278 k = 0.0000 0.5590 0.4150 ( 5024 PWs) bands (ev): -13.8476 -13.8473 -13.7681 -13.7679 -10.8803 -10.8797 -10.6792 -10.6765 -10.1317 -10.1302 -10.0433 -10.0401 -4.0409 -4.0351 -3.6266 -3.6246 -2.5570 -2.5520 -1.9619 -1.9416 -0.5524 -0.5286 -0.2721 -0.2642 0.1591 0.1789 0.2453 0.2588 0.7460 0.7594 0.9299 0.9472 1.6959 1.6989 2.0022 2.0160 2.6810 2.6855 2.7319 2.7353 3.1857 3.1893 3.5287 3.5336 3.9421 3.9430 4.0383 4.0401 9.4635 9.4894 9.7874 9.7976 9.9315 9.9660 10.7509 10.7636 11.3182 11.3520 k = 0.0000 0.5590 0.4323 ( 5028 PWs) bands (ev): -13.8411 -13.8409 -13.7726 -13.7724 -10.8410 -10.8404 -10.6521 -10.6493 -10.1787 -10.1773 -10.0868 -10.0836 -3.9999 -3.9941 -3.6314 -3.6308 -2.5430 -2.5362 -2.0199 -2.0002 -0.4926 -0.4671 -0.2368 -0.2337 0.1895 0.2026 0.2704 0.2831 0.7222 0.7348 0.8741 0.8919 1.7040 1.7075 1.9707 1.9841 2.6805 2.6851 2.7211 2.7248 3.2091 3.2129 3.5056 3.5105 3.9504 3.9510 4.0310 4.0327 9.5121 9.5402 9.8328 9.8338 9.9471 9.9712 10.7067 10.7201 11.2467 11.2815 k = 0.0000 0.5590 0.4496 ( 5026 PWs) bands (ev): -13.8348 -13.8345 -13.7774 -13.7771 -10.8011 -10.8004 -10.6266 -10.6238 -10.2224 -10.2210 -10.1291 -10.1259 -3.9592 -3.9533 -3.6427 -3.6420 -2.5228 -2.5142 -2.0774 -2.0584 -0.4367 -0.4098 -0.2140 -0.2117 0.2285 0.2339 0.3006 0.3120 0.6941 0.7062 0.8169 0.8351 1.7141 1.7181 1.9390 1.9517 2.6800 2.6846 2.7115 2.7156 3.2330 3.2369 3.4817 3.4866 3.9583 3.9587 4.0240 4.0255 9.5618 9.5923 9.8529 9.8731 9.9818 9.9874 10.6564 10.6705 11.1837 11.2198 k = 0.0000 0.5590 0.4669 ( 5016 PWs) bands (ev): -13.8284 -13.8281 -13.7824 -13.7821 -10.7610 -10.7601 -10.6047 -10.6020 -10.2609 -10.2594 -10.1699 -10.1667 -3.9190 -3.9132 -3.6598 -3.6580 -2.4966 -2.4864 -2.1341 -2.1156 -0.3858 -0.3579 -0.2044 -0.1965 0.2717 0.2741 0.3361 0.3458 0.6617 0.6734 0.7591 0.7775 1.7262 1.7309 1.9076 1.9196 2.6797 2.6843 2.7034 2.7076 3.2574 3.2615 3.4574 3.4622 3.9658 3.9659 4.0173 4.0187 9.6114 9.6444 9.8562 9.8918 10.0263 10.0355 10.5990 10.6138 11.1327 11.1701 k = 0.0000 0.5590 0.4842 ( 5022 PWs) bands (ev): -13.8222 -13.8219 -13.7875 -13.7872 -10.7211 -10.7201 -10.5894 -10.5869 -10.2910 -10.2893 -10.2084 -10.2053 -3.8796 -3.8739 -3.6817 -3.6788 -2.4649 -2.4533 -2.1893 -2.1716 -0.3406 -0.3126 -0.2035 -0.1905 0.3145 0.3235 0.3758 0.3839 0.6252 0.6371 0.7021 0.7200 1.7405 1.7459 1.8774 1.8885 2.6797 2.6843 2.6965 2.7009 3.2821 3.2863 3.4326 3.4374 3.9728 3.9729 4.0108 4.0120 9.6593 9.6949 9.8485 9.8902 10.0858 10.1010 10.5342 10.5498 11.0959 11.1345 k = 0.0000 0.5590 0.5015 ( 5022 PWs) bands (ev): -13.8160 -13.8158 -13.7929 -13.7926 -10.6824 -10.6813 -10.5848 -10.5826 -10.3086 -10.3066 -10.2438 -10.2408 -3.8413 -3.8358 -3.7077 -3.7040 -2.4282 -2.4152 -2.2427 -2.2257 -0.3016 -0.2743 -0.2101 -0.1928 0.3605 0.3740 0.4171 0.4246 0.5861 0.5990 0.6473 0.6638 1.7572 1.7635 1.8488 1.8589 2.6802 2.6849 2.6910 2.6955 3.3070 3.3113 3.4076 3.4123 3.9795 3.9797 4.0045 4.0056 9.7043 9.7425 9.8327 9.8763 10.1560 10.1731 10.4631 10.4794 11.0746 11.1144 k = 0.0000 0.5590 0.5188 ( 5022 PWs) bands (ev): -13.8100 -13.8097 -13.7984 -13.7981 -10.6464 -10.6452 -10.5939 -10.5921 -10.3107 -10.3083 -10.2746 -10.2716 -3.8045 -3.7993 -3.7372 -3.7329 -2.3871 -2.3729 -2.2938 -2.2777 -0.2691 -0.2432 -0.2234 -0.2025 0.4071 0.4222 0.4504 0.4595 0.5533 0.5671 0.5969 0.6112 1.7764 1.7835 1.8222 1.8314 2.6815 2.6861 2.6867 2.6913 3.3321 3.3365 3.3824 3.3870 3.9859 3.9864 3.9983 3.9992 9.7451 9.7855 9.8099 9.8534 10.2316 10.2492 10.3875 10.4045 11.0689 11.1019 k = 0.0000 0.5590 0.5361 ( 5024 PWs) bands (ev): -13.8042 -13.8042 -13.8039 -13.8039 -10.6156 -10.6156 -10.6142 -10.6142 -10.2981 -10.2981 -10.2954 -10.2954 -3.7697 -3.7697 -3.7648 -3.7648 -2.3421 -2.3421 -2.3269 -2.3269 -0.2431 -0.2431 -0.2193 -0.2193 0.4461 0.4461 0.4596 0.4596 0.5572 0.5572 0.5702 0.5702 1.7980 1.7980 1.8062 1.8062 2.6836 2.6836 2.6882 2.6882 3.3572 3.3572 3.3618 3.3618 3.9921 3.9921 3.9928 3.9928 9.7806 9.7806 9.8228 9.8228 10.3095 10.3095 10.3270 10.3270 11.0784 11.0784 k = 0.0000 0.5590 0.5361 ( 5024 PWs) bands (ev): -13.8042 -13.8042 -13.8039 -13.8039 -10.6156 -10.6156 -10.6142 -10.6142 -10.2981 -10.2981 -10.2954 -10.2954 -3.7697 -3.7697 -3.7648 -3.7648 -2.3421 -2.3421 -2.3269 -2.3269 -0.2431 -0.2431 -0.2193 -0.2193 0.4461 0.4461 0.4596 0.4596 0.5572 0.5572 0.5702 0.5702 1.7980 1.7980 1.8062 1.8062 2.6836 2.6836 2.6882 2.6882 3.3572 3.3572 3.3618 3.3618 3.9921 3.9921 3.9928 3.9928 9.7806 9.7806 9.8228 9.8228 10.3095 10.3095 10.3270 10.3270 11.0784 11.0784 k = 0.0173 0.5590 0.5361 ( 5024 PWs) bands (ev): -13.8040 -13.8040 -13.8037 -13.8037 -10.6180 -10.6180 -10.6164 -10.6164 -10.2961 -10.2961 -10.2934 -10.2934 -3.7677 -3.7677 -3.7628 -3.7628 -2.3448 -2.3448 -2.3296 -2.3296 -0.2421 -0.2421 -0.2183 -0.2183 0.4360 0.4360 0.4600 0.4600 0.5569 0.5569 0.5818 0.5818 1.7968 1.7968 1.8051 1.8051 2.6846 2.6846 2.6893 2.6893 3.3577 3.3577 3.3622 3.3622 3.9904 3.9904 3.9913 3.9913 9.7793 9.7793 9.8213 9.8213 10.3108 10.3108 10.3288 10.3288 11.0778 11.0778 k = 0.0345 0.5590 0.5361 ( 5020 PWs) bands (ev): -13.8035 -13.8035 -13.8032 -13.8032 -10.6249 -10.6249 -10.6229 -10.6229 -10.2904 -10.2904 -10.2875 -10.2875 -3.7619 -3.7619 -3.7569 -3.7569 -2.3527 -2.3527 -2.3376 -2.3376 -0.2390 -0.2390 -0.2155 -0.2155 0.4176 0.4176 0.4520 0.4520 0.5668 0.5668 0.6035 0.6035 1.7932 1.7932 1.8017 1.8017 2.6874 2.6874 2.6923 2.6923 3.3589 3.3589 3.3635 3.3635 3.9854 3.9854 3.9866 3.9866 9.7757 9.7757 9.8169 9.8169 10.3146 10.3146 10.3342 10.3342 11.0763 11.0763 k = 0.0518 0.5590 0.5361 ( 5020 PWs) bands (ev): -13.8027 -13.8027 -13.8023 -13.8023 -10.6358 -10.6358 -10.6333 -10.6333 -10.2814 -10.2814 -10.2782 -10.2782 -3.7523 -3.7523 -3.7470 -3.7470 -2.3657 -2.3657 -2.3508 -2.3508 -0.2340 -0.2340 -0.2108 -0.2108 0.3972 0.3972 0.4363 0.4363 0.5861 0.5861 0.6288 0.6288 1.7873 1.7873 1.7962 1.7962 2.6920 2.6920 2.6973 2.6973 3.3610 3.3610 3.3658 3.3658 3.9772 3.9772 3.9788 3.9788 9.7699 9.7699 9.8097 9.8097 10.3209 10.3209 10.3429 10.3429 11.0737 11.0737 k = 0.0691 0.5590 0.5361 ( 5018 PWs) bands (ev): -13.8015 -13.8015 -13.8012 -13.8012 -10.6499 -10.6499 -10.6470 -10.6470 -10.2697 -10.2697 -10.2662 -10.2662 -3.7389 -3.7389 -3.7332 -3.7332 -2.3838 -2.3838 -2.3691 -2.3691 -0.2271 -0.2271 -0.2045 -0.2045 0.3764 0.3764 0.4173 0.4173 0.6101 0.6101 0.6559 0.6559 1.7793 1.7793 1.7886 1.7886 2.6981 2.6981 2.7039 2.7039 3.3639 3.3639 3.3689 3.3689 3.9660 3.9660 3.9680 3.9680 9.7622 9.7622 9.8003 9.8003 10.3296 10.3296 10.3543 10.3543 11.0700 11.0700 k = 0.0864 0.5590 0.5361 ( 5016 PWs) bands (ev): -13.8000 -13.8000 -13.7997 -13.7997 -10.6665 -10.6665 -10.6633 -10.6633 -10.2558 -10.2558 -10.2521 -10.2521 -3.7217 -3.7217 -3.7157 -3.7157 -2.4068 -2.4068 -2.3923 -2.3923 -0.2185 -0.2185 -0.1965 -0.1965 0.3561 0.3561 0.3974 0.3974 0.6367 0.6367 0.6842 0.6842 1.7695 1.7695 1.7793 1.7793 2.7056 2.7056 2.7118 2.7118 3.3676 3.3676 3.3729 3.3729 3.9520 3.9520 3.9544 3.9544 9.7530 9.7530 9.7891 9.7891 10.3406 10.3406 10.3681 10.3681 11.0651 11.0651 k = 0.1036 0.5590 0.5361 ( 5016 PWs) bands (ev): -13.7983 -13.7983 -13.7979 -13.7979 -10.6852 -10.6852 -10.6817 -10.6817 -10.2404 -10.2404 -10.2365 -10.2365 -3.7009 -3.7009 -3.6944 -3.6944 -2.4344 -2.4344 -2.4202 -2.4202 -0.2084 -0.2084 -0.1870 -0.1870 0.3364 0.3364 0.3775 0.3775 0.6647 0.6647 0.7133 0.7133 1.7582 1.7582 1.7684 1.7684 2.7141 2.7141 2.7207 2.7207 3.3722 3.3722 3.3778 3.3778 3.9353 3.9353 3.9382 3.9382 9.7426 9.7426 9.7766 9.7766 10.3535 10.3535 10.3838 10.3838 11.0591 11.0591 k = 0.1209 0.5590 0.5361 ( 5020 PWs) bands (ev): -13.7963 -13.7963 -13.7959 -13.7959 -10.7052 -10.7052 -10.7016 -10.7016 -10.2238 -10.2238 -10.2199 -10.2199 -3.6765 -3.6765 -3.6695 -3.6695 -2.4664 -2.4664 -2.4525 -2.4525 -0.1969 -0.1969 -0.1763 -0.1763 0.3177 0.3177 0.3580 0.3580 0.6935 0.6935 0.7428 0.7428 1.7456 1.7456 1.7561 1.7561 2.7234 2.7234 2.7302 2.7302 3.3777 3.3777 3.3835 3.3835 3.9163 3.9163 3.9197 3.9197 9.7314 9.7314 9.7633 9.7633 10.3682 10.3682 10.4012 10.4012 11.0519 11.0519 k = 0.1382 0.5590 0.5361 ( 5018 PWs) bands (ev): -13.7941 -13.7941 -13.7937 -13.7937 -10.7263 -10.7263 -10.7225 -10.7225 -10.2065 -10.2065 -10.2025 -10.2025 -3.6487 -3.6487 -3.6411 -3.6411 -2.5026 -2.5026 -2.4890 -2.4890 -0.1843 -0.1843 -0.1645 -0.1645 0.2998 0.2998 0.3393 0.3393 0.7227 0.7227 0.7724 0.7724 1.7320 1.7320 1.7428 1.7428 2.7329 2.7329 2.7400 2.7400 3.3840 3.3840 3.3901 3.3901 3.8954 3.8954 3.8992 3.8992 9.7198 9.7198 9.7495 9.7495 10.3844 10.3844 10.4198 10.4198 11.0436 11.0436 k = 0.1555 0.5590 0.5361 ( 5026 PWs) bands (ev): -13.7917 -13.7917 -13.7912 -13.7912 -10.7481 -10.7481 -10.7442 -10.7442 -10.1887 -10.1887 -10.1847 -10.1847 -3.6176 -3.6176 -3.6094 -3.6094 -2.5426 -2.5426 -2.5293 -2.5293 -0.1708 -0.1708 -0.1518 -0.1518 0.2830 0.2830 0.3215 0.3215 0.7520 0.7520 0.8021 0.8021 1.7179 1.7179 1.7288 1.7288 2.7424 2.7424 2.7497 2.7497 3.3910 3.3910 3.3973 3.3973 3.8730 3.8730 3.8772 3.8772 9.7080 9.7080 9.7355 9.7355 10.4018 10.4018 10.4395 10.4395 11.0342 11.0342 k = 0.1727 0.5590 0.5361 ( 5022 PWs) bands (ev): -13.7890 -13.7890 -13.7886 -13.7886 -10.7702 -10.7702 -10.7663 -10.7663 -10.1706 -10.1706 -10.1666 -10.1666 -3.5833 -3.5833 -3.5746 -3.5746 -2.5862 -2.5862 -2.5731 -2.5731 -0.1565 -0.1565 -0.1384 -0.1384 0.2673 0.2673 0.3046 0.3046 0.7811 0.7811 0.8315 0.8315 1.7033 1.7033 1.7143 1.7143 2.7516 2.7516 2.7589 2.7589 3.3986 3.3986 3.4051 3.4051 3.8495 3.8495 3.8542 3.8542 9.6963 9.6963 9.7218 9.7218 10.4202 10.4202 10.4600 10.4600 11.0239 11.0239 k = 0.1900 0.5590 0.5361 ( 5022 PWs) bands (ev): -13.7863 -13.7863 -13.7859 -13.7859 -10.7925 -10.7925 -10.7885 -10.7885 -10.1524 -10.1524 -10.1484 -10.1484 -3.5460 -3.5460 -3.5367 -3.5367 -2.6330 -2.6330 -2.6202 -2.6202 -0.1417 -0.1417 -0.1245 -0.1245 0.2527 0.2527 0.2887 0.2887 0.8097 0.8097 0.8604 0.8604 1.6888 1.6888 1.6996 1.6996 2.7601 2.7601 2.7674 2.7674 3.4065 3.4065 3.4132 3.4132 3.8256 3.8256 3.8307 3.8307 9.6847 9.6847 9.7084 9.7084 10.4395 10.4395 10.4811 10.4811 11.0129 11.0129 k = 0.2073 0.5590 0.5361 ( 5020 PWs) bands (ev): -13.7835 -13.7835 -13.7830 -13.7830 -10.8147 -10.8147 -10.8107 -10.8107 -10.1342 -10.1342 -10.1302 -10.1302 -3.5059 -3.5059 -3.4961 -3.4961 -2.6829 -2.6829 -2.6701 -2.6701 -0.1266 -0.1266 -0.1104 -0.1104 0.2392 0.2392 0.2740 0.2740 0.8376 0.8376 0.8884 0.8884 1.6746 1.6746 1.6851 1.6851 2.7677 2.7677 2.7749 2.7749 3.4145 3.4145 3.4212 3.4212 3.8020 3.8020 3.8075 3.8075 9.6733 9.6733 9.6955 9.6955 10.4592 10.4592 10.5024 10.5024 11.0015 11.0015 k = 0.2246 0.5590 0.5361 ( 5020 PWs) bands (ev): -13.7806 -13.7806 -13.7802 -13.7802 -10.8366 -10.8366 -10.8326 -10.8326 -10.1161 -10.1161 -10.1121 -10.1121 -3.4633 -3.4633 -3.4529 -3.4529 -2.7353 -2.7353 -2.7227 -2.7227 -0.1114 -0.1114 -0.0961 -0.0961 0.2270 0.2270 0.2604 0.2604 0.8644 0.8644 0.9154 0.9154 1.6610 1.6610 1.6710 1.6710 2.7742 2.7742 2.7812 2.7812 3.4221 3.4221 3.4287 3.4287 3.7795 3.7795 3.7853 3.7853 9.6622 9.6622 9.6831 9.6831 10.4793 10.4793 10.5237 10.5237 10.9901 10.9901 k = 0.2418 0.5590 0.5361 ( 5026 PWs) bands (ev): -13.7778 -13.7778 -13.7773 -13.7773 -10.8580 -10.8580 -10.8541 -10.8541 -10.0981 -10.0981 -10.0941 -10.0941 -3.4185 -3.4185 -3.4074 -3.4074 -2.7901 -2.7901 -2.7774 -2.7774 -0.0964 -0.0964 -0.0822 -0.0822 0.2161 0.2161 0.2481 0.2481 0.8897 0.8897 0.9409 0.9409 1.6484 1.6484 1.6577 1.6577 2.7793 2.7793 2.7862 2.7862 3.4285 3.4285 3.4349 3.4349 3.7591 3.7591 3.7652 3.7652 9.6513 9.6513 9.6712 9.6712 10.4992 10.4992 10.5444 10.5444 10.9794 10.9794 k = 0.2591 0.5590 0.5361 ( 5018 PWs) bands (ev): -13.7750 -13.7750 -13.7745 -13.7745 -10.8789 -10.8789 -10.8750 -10.8750 -10.0803 -10.0803 -10.0764 -10.0764 -3.3718 -3.3718 -3.3601 -3.3601 -2.8466 -2.8466 -2.8338 -2.8338 -0.0818 -0.0818 -0.0687 -0.0687 0.2066 0.2066 0.2373 0.2373 0.9132 0.9132 0.9644 0.9644 1.6372 1.6372 1.6456 1.6456 2.7830 2.7830 2.7897 2.7897 3.4332 3.4332 3.4392 3.4392 3.7420 3.7420 3.7481 3.7481 9.6405 9.6405 9.6597 9.6597 10.5185 10.5185 10.5642 10.5642 10.9699 10.9699 k = 0.2764 0.5590 0.5361 ( 5016 PWs) bands (ev): -13.7722 -13.7722 -13.7718 -13.7718 -10.8990 -10.8990 -10.8951 -10.8951 -10.0627 -10.0627 -10.0588 -10.0588 -3.3239 -3.3239 -3.3115 -3.3115 -2.9044 -2.9044 -2.8914 -2.8914 -0.0679 -0.0679 -0.0562 -0.0562 0.1988 0.1988 0.2282 0.2282 0.9343 0.9343 0.9856 0.9856 1.6278 1.6278 1.6351 1.6351 2.7853 2.7853 2.7918 2.7918 3.4351 3.4351 3.4406 3.4406 3.7291 3.7291 3.7353 3.7353 9.6299 9.6299 9.6486 9.6486 10.5366 10.5366 10.5823 10.5823 10.9625 10.9625 k = 0.2937 0.5590 0.5361 ( 5016 PWs) bands (ev): -13.7697 -13.7697 -13.7692 -13.7692 -10.9182 -10.9182 -10.9144 -10.9144 -10.0454 -10.0454 -10.0416 -10.0416 -3.2761 -3.2761 -3.2629 -3.2629 -2.9620 -2.9620 -2.9487 -2.9487 -0.0551 -0.0551 -0.0451 -0.0451 0.1930 0.1930 0.2210 0.2210 0.9525 0.9525 1.0038 1.0038 1.6207 1.6207 1.6268 1.6268 2.7861 2.7861 2.7925 2.7925 3.4336 3.4336 3.4384 3.4384 3.7213 3.7213 3.7275 3.7275 9.6192 9.6192 9.6375 9.6375 10.5526 10.5526 10.5978 10.5978 10.9583 10.9583 k = 0.3109 0.5590 0.5361 ( 5012 PWs) bands (ev): -13.7673 -13.7673 -13.7668 -13.7668 -10.9364 -10.9364 -10.9327 -10.9327 -10.0283 -10.0283 -10.0245 -10.0245 -3.2314 -3.2314 -3.2179 -3.2179 -3.0161 -3.0161 -3.0027 -3.0027 -0.0440 -0.0440 -0.0358 -0.0358 0.1896 0.1896 0.2163 0.2163 0.9673 0.9673 1.0184 1.0184 1.6164 1.6164 1.6211 1.6211 2.7856 2.7856 2.7917 2.7917 3.4284 3.4284 3.4325 3.4325 3.7193 3.7193 3.7253 3.7253 9.6083 9.6083 9.6265 9.6265 10.5655 10.5655 10.6097 10.6097 10.9583 10.9583 k = 0.3282 0.5590 0.5361 ( 5014 PWs) bands (ev): -13.7651 -13.7651 -13.7647 -13.7647 -10.9535 -10.9535 -10.9499 -10.9499 -10.0115 -10.0115 -10.0078 -10.0078 -3.2011 -3.2011 -3.1896 -3.1896 -3.0532 -3.0532 -3.0423 -3.0423 -0.0351 -0.0351 -0.0287 -0.0287 0.1890 0.1890 0.2145 0.2145 0.9782 0.9782 1.0288 1.0288 1.6153 1.6153 1.6186 1.6186 2.7838 2.7838 2.7898 2.7898 3.4195 3.4195 3.4231 3.4231 3.7226 3.7226 3.7285 3.7285 9.5972 9.5972 9.6152 9.6152 10.5742 10.5742 10.6173 10.6173 10.9635 10.9635 k = 0.3455 0.5590 0.5361 ( 5006 PWs) bands (ev): -13.7633 -13.7633 -13.7629 -13.7629 -10.9694 -10.9694 -10.9658 -10.9658 -9.9950 -9.9950 -9.9914 -9.9914 -3.2120 -3.2120 -3.2047 -3.2047 -3.0470 -3.0470 -3.0404 -3.0404 -0.0293 -0.0293 -0.0240 -0.0240 0.1916 0.1916 0.2160 0.2160 0.9845 0.9845 1.0346 1.0346 1.6176 1.6176 1.6202 1.6202 2.7809 2.7809 2.7867 2.7867 3.4076 3.4076 3.4110 3.4110 3.7307 3.7307 3.7366 3.7366 9.5856 9.5856 9.6036 9.6036 10.5778 10.5778 10.6199 10.6199 10.9736 10.9736 k = 0.3455 0.5590 0.5361 ( 5006 PWs) bands (ev): -13.7633 -13.7633 -13.7629 -13.7629 -10.9694 -10.9694 -10.9658 -10.9658 -9.9950 -9.9950 -9.9914 -9.9914 -3.2120 -3.2120 -3.2047 -3.2047 -3.0470 -3.0470 -3.0404 -3.0404 -0.0293 -0.0293 -0.0240 -0.0240 0.1916 0.1916 0.2160 0.2160 0.9845 0.9845 1.0346 1.0346 1.6176 1.6176 1.6202 1.6202 2.7809 2.7809 2.7867 2.7867 3.4076 3.4076 3.4110 3.4110 3.7307 3.7307 3.7366 3.7366 9.5856 9.5856 9.6036 9.6036 10.5778 10.5778 10.6199 10.6199 10.9736 10.9736 k = 0.3364 0.5443 0.5361 ( 5002 PWs) bands (ev): -13.7666 -13.7666 -13.7662 -13.7662 -10.9396 -10.9396 -10.9359 -10.9359 -10.0264 -10.0264 -10.0227 -10.0227 -3.1449 -3.1449 -3.1356 -3.1356 -3.0977 -3.0977 -3.0924 -3.0924 -0.0370 -0.0370 -0.0315 -0.0315 0.1833 0.1833 0.2094 0.2094 0.9770 0.9770 1.0283 1.0283 1.6111 1.6111 1.6136 1.6136 2.7870 2.7870 2.7931 2.7931 3.4329 3.4329 3.4365 3.4365 3.7117 3.7117 3.7176 3.7176 9.6068 9.6068 9.6248 9.6248 10.5752 10.5752 10.6187 10.6187 10.9581 10.9582 k = 0.3273 0.5296 0.5361 ( 5000 PWs) bands (ev): -13.7701 -13.7701 -13.7696 -13.7696 -10.9084 -10.9084 -10.9046 -10.9046 -10.0582 -10.0582 -10.0544 -10.0544 -3.1583 -3.1583 -3.1504 -3.1504 -3.0685 -3.0685 -3.0610 -3.0610 -0.0458 -0.0458 -0.0402 -0.0402 0.1746 0.1746 0.2025 0.2025 0.9697 0.9697 1.0220 1.0220 1.6063 1.6063 1.6086 1.6086 2.7923 2.7923 2.7986 2.7986 3.4590 3.4590 3.4627 3.4627 3.6938 3.6938 3.6997 3.6997 9.6247 9.6247 9.6426 9.6426 10.5697 10.5697 10.6145 10.6145 10.9473 10.9474 k = 0.3182 0.5149 0.5361 ( 5004 PWs) bands (ev): -13.7737 -13.7737 -13.7732 -13.7732 -10.8758 -10.8758 -10.8718 -10.8718 -10.0902 -10.0902 -10.0864 -10.0864 -3.2149 -3.2149 -3.2077 -3.2077 -2.9969 -2.9969 -2.9879 -2.9879 -0.0558 -0.0558 -0.0503 -0.0503 0.1656 0.1656 0.1952 0.1952 0.9630 0.9630 1.0160 1.0160 1.6033 1.6033 1.6054 1.6054 2.7968 2.7968 2.8034 2.8034 3.4856 3.4856 3.4896 3.4896 3.6772 3.6772 3.6830 3.6830 9.6388 9.6388 9.6564 9.6564 10.5609 10.5609 10.6066 10.6066 10.9412 10.9412 k = 0.3091 0.5002 0.5361 ( 5008 PWs) bands (ev): -13.7774 -13.7774 -13.7769 -13.7769 -10.8419 -10.8419 -10.8377 -10.8377 -10.1224 -10.1224 -10.1185 -10.1185 -3.2742 -3.2742 -3.2674 -3.2674 -2.9235 -2.9235 -2.9134 -2.9134 -0.0672 -0.0672 -0.0618 -0.0618 0.1563 0.1563 0.1876 0.1876 0.9569 0.9569 1.0103 1.0103 1.6022 1.6022 1.6042 1.6042 2.8006 2.8006 2.8075 2.8075 3.5128 3.5128 3.5170 3.5170 3.6619 3.6619 3.6675 3.6675 9.6486 9.6486 9.6657 9.6657 10.5482 10.5482 10.5945 10.5945 10.9409 10.9409 k = 0.3000 0.4855 0.5361 ( 5008 PWs) bands (ev): -13.7813 -13.7813 -13.7808 -13.7808 -10.8066 -10.8066 -10.8023 -10.8023 -10.1546 -10.1546 -10.1507 -10.1507 -3.3356 -3.3356 -3.3290 -3.3290 -2.8491 -2.8491 -2.8380 -2.8380 -0.0801 -0.0801 -0.0748 -0.0748 0.1468 0.1468 0.1797 0.1797 0.9518 0.9518 1.0053 1.0053 1.6032 1.6032 1.6050 1.6050 2.8036 2.8036 2.8108 2.8108 3.5402 3.5402 3.5448 3.5448 3.6482 3.6482 3.6535 3.6535 9.6538 9.6538 9.6703 9.6703 10.5313 10.5313 10.5778 10.5778 10.9469 10.9469 k = 0.2909 0.4708 0.5361 ( 5008 PWs) bands (ev): -13.7853 -13.7853 -13.7848 -13.7848 -10.7702 -10.7702 -10.7657 -10.7657 -10.1866 -10.1866 -10.1828 -10.1828 -3.3986 -3.3986 -3.3924 -3.3924 -2.7743 -2.7743 -2.7620 -2.7620 -0.0945 -0.0945 -0.0895 -0.0895 0.1370 0.1370 0.1716 0.1716 0.9477 0.9477 1.0010 1.0010 1.6064 1.6064 1.6080 1.6080 2.8059 2.8059 2.8134 2.8134 3.5676 3.5676 3.5727 3.5727 3.6361 3.6361 3.6410 3.6410 9.6544 9.6544 9.6702 9.6702 10.5097 10.5097 10.5562 10.5562 10.9591 10.9591 k = 0.2818 0.4560 0.5361 ( 5016 PWs) bands (ev): -13.7894 -13.7894 -13.7889 -13.7889 -10.7325 -10.7325 -10.7279 -10.7279 -10.2185 -10.2185 -10.2146 -10.2146 -3.4633 -3.4633 -3.4574 -3.4574 -2.6992 -2.6992 -2.6858 -2.6858 -0.1106 -0.1106 -0.1059 -0.1059 0.1270 0.1270 0.1632 0.1632 0.9448 0.9448 0.9977 0.9977 1.6117 1.6117 1.6132 1.6132 2.8076 2.8076 2.8153 2.8153 3.5945 3.5945 3.6006 3.6006 3.6262 3.6262 3.6300 3.6300 9.6504 9.6504 9.6655 9.6655 10.4836 10.4836 10.5297 10.5297 10.9774 10.9774 k = 0.2728 0.4413 0.5361 ( 5020 PWs) bands (ev): -13.7937 -13.7937 -13.7931 -13.7931 -10.6937 -10.6937 -10.6890 -10.6890 -10.2500 -10.2500 -10.2462 -10.2462 -3.5294 -3.5294 -3.5238 -3.5238 -2.6242 -2.6242 -2.6096 -2.6096 -0.1282 -0.1282 -0.1240 -0.1240 0.1169 0.1169 0.1547 0.1547 0.9433 0.9433 0.9954 0.9954 1.6193 1.6193 1.6206 1.6206 2.8086 2.8086 2.8166 2.8166 3.6115 3.6115 3.6201 3.6201 3.6276 3.6276 3.6290 3.6290 9.6421 9.6421 9.6565 9.6565 10.4528 10.4528 10.4985 10.4985 11.0013 11.0013 k = 0.2637 0.4266 0.5361 ( 5012 PWs) bands (ev): -13.7980 -13.7980 -13.7974 -13.7974 -10.6540 -10.6540 -10.6491 -10.6491 -10.2810 -10.2810 -10.2773 -10.2773 -3.5968 -3.5968 -3.5916 -3.5916 -2.5495 -2.5495 -2.5337 -2.5337 -0.1474 -0.1474 -0.1438 -0.1438 0.1068 0.1068 0.1460 0.1460 0.9432 0.9432 0.9944 0.9944 1.6290 1.6290 1.6302 1.6302 2.8092 2.8092 2.8175 2.8175 3.6066 3.6066 3.6123 3.6123 3.6522 3.6522 3.6564 3.6564 9.6301 9.6301 9.6437 9.6437 10.4176 10.4176 10.4627 10.4627 11.0303 11.0303 k = 0.2546 0.4119 0.5361 ( 5012 PWs) bands (ev): -13.8023 -13.8023 -13.8018 -13.8018 -10.6132 -10.6132 -10.6083 -10.6083 -10.3116 -10.3116 -10.3079 -10.3079 -3.6652 -3.6652 -3.6604 -3.6604 -2.4755 -2.4755 -2.4585 -2.4585 -0.1682 -0.1682 -0.1651 -0.1651 0.0967 0.0967 0.1373 0.1373 0.9446 0.9446 0.9947 0.9947 1.6409 1.6409 1.6420 1.6420 2.8092 2.8092 2.8178 2.8178 3.6009 3.6009 3.6058 3.6058 3.6788 3.6788 3.6837 3.6837 9.6147 9.6147 9.6276 9.6276 10.3783 10.3783 10.4227 10.4227 11.0634 11.0634 k = 0.2455 0.3972 0.5361 ( 5020 PWs) bands (ev): -13.8068 -13.8068 -13.8062 -13.8062 -10.5717 -10.5717 -10.5667 -10.5667 -10.3415 -10.3415 -10.3379 -10.3379 -3.7346 -3.7346 -3.7301 -3.7301 -2.4024 -2.4024 -2.3842 -2.3842 -0.1904 -0.1904 -0.1879 -0.1879 0.0867 0.0867 0.1287 0.1287 0.9474 0.9474 0.9962 0.9962 1.6549 1.6549 1.6558 1.6558 2.8089 2.8089 2.8178 2.8178 3.5963 3.5963 3.6008 3.6008 3.7052 3.7052 3.7105 3.7105 9.5966 9.5966 9.6088 9.6088 10.3355 10.3355 10.3791 10.3791 11.0999 11.0999 k = 0.2364 0.3825 0.5361 ( 5014 PWs) bands (ev): -13.8112 -13.8112 -13.8107 -13.8107 -10.5294 -10.5294 -10.5243 -10.5243 -10.3708 -10.3708 -10.3673 -10.3673 -3.8047 -3.8047 -3.8006 -3.8006 -2.3305 -2.3305 -2.3111 -2.3111 -0.2138 -0.2138 -0.2120 -0.2120 0.0770 0.0770 0.1201 0.1201 0.9518 0.9518 0.9991 0.9991 1.6709 1.6709 1.6717 1.6717 2.8084 2.8084 2.8176 2.8176 3.5931 3.5931 3.5971 3.5971 3.7310 3.7310 3.7368 3.7368 9.5762 9.5762 9.5879 9.5879 10.2895 10.2895 10.3322 10.3322 11.1386 11.1386 k = 0.2273 0.3678 0.5361 ( 5018 PWs) bands (ev): -13.8158 -13.8158 -13.8152 -13.8152 -10.4866 -10.4866 -10.4813 -10.4813 -10.3992 -10.3992 -10.3959 -10.3959 -3.8753 -3.8753 -3.8716 -3.8716 -2.2600 -2.2600 -2.2394 -2.2394 -0.2385 -0.2385 -0.2373 -0.2373 0.0675 0.0675 0.1117 0.1117 0.9576 0.9576 1.0033 1.0033 1.6887 1.6887 1.6895 1.6895 2.8077 2.8077 2.8173 2.8173 3.5912 3.5912 3.5947 3.5947 3.7561 3.7561 3.7622 3.7622 9.5541 9.5541 9.5652 9.5652 10.2408 10.2408 10.2825 10.2825 11.1787 11.1787 k = 0.2182 0.3531 0.5361 ( 5022 PWs) bands (ev): -13.8203 -13.8203 -13.8197 -13.8197 -10.4443 -10.4443 -10.4382 -10.4382 -10.4258 -10.4258 -10.4233 -10.4233 -3.9463 -3.9463 -3.9430 -3.9430 -2.1912 -2.1912 -2.1694 -2.1694 -0.2641 -0.2641 -0.2636 -0.2636 0.0585 0.0585 0.1036 0.1036 0.9647 0.9647 1.0088 1.0088 1.7081 1.7081 1.7088 1.7088 2.8071 2.8071 2.8170 2.8170 3.5905 3.5905 3.5936 3.5936 3.7805 3.7805 3.7869 3.7869 9.5306 9.5306 9.5413 9.5413 10.1901 10.1901 10.2308 10.2308 11.2190 11.2190 k = 0.2091 0.3384 0.5361 ( 5010 PWs) bands (ev): -13.8248 -13.8248 -13.8242 -13.8242 -10.4547 -10.4547 -10.4510 -10.4510 -10.3983 -10.3983 -10.3935 -10.3935 -4.0173 -4.0173 -4.0144 -4.0144 -2.1243 -2.1243 -2.1013 -2.1013 -0.2905 -0.2905 -0.2905 -0.2905 0.0499 0.0499 0.0959 0.0959 0.9730 0.9730 1.0154 1.0154 1.7290 1.7290 1.7296 1.7296 2.8067 2.8067 2.8169 2.8169 3.5909 3.5909 3.5936 3.5936 3.8038 3.8038 3.8107 3.8107 9.5061 9.5061 9.5164 9.5164 10.1378 10.1378 10.1773 10.1773 11.2585 11.2585 k = 0.2000 0.3236 0.5361 ( 5010 PWs) bands (ev): -13.8293 -13.8293 -13.8288 -13.8288 -10.4804 -10.4804 -10.4771 -10.4771 -10.3543 -10.3543 -10.3493 -10.3493 -4.0883 -4.0883 -4.0858 -4.0858 -2.0595 -2.0595 -2.0354 -2.0354 -0.3181 -0.3181 -0.3175 -0.3175 0.0420 0.0420 0.0885 0.0885 0.9825 0.9825 1.0230 1.0230 1.7510 1.7510 1.7515 1.7515 2.8066 2.8066 2.8172 2.8172 3.5923 3.5923 3.5946 3.5946 3.8262 3.8262 3.8334 3.8334 9.4810 9.4810 9.4908 9.4908 10.0843 10.0843 10.1227 10.1227 11.2962 11.2962 k = 0.1909 0.3089 0.5361 ( 5014 PWs) bands (ev): -13.8338 -13.8338 -13.8332 -13.8332 -10.5054 -10.5054 -10.5022 -10.5022 -10.3100 -10.3100 -10.3050 -10.3050 -4.1590 -4.1590 -4.1569 -4.1569 -1.9969 -1.9969 -1.9719 -1.9719 -0.3459 -0.3459 -0.3448 -0.3448 0.0347 0.0347 0.0817 0.0817 0.9929 0.9929 1.0316 1.0316 1.7738 1.7738 1.7743 1.7743 2.8071 2.8071 2.8181 2.8181 3.5947 3.5947 3.5966 3.5966 3.8475 3.8475 3.8550 3.8550 9.4553 9.4553 9.4648 9.4648 10.0303 10.0303 10.0674 10.0674 11.3311 11.3311 k = 0.1818 0.2942 0.5361 ( 5022 PWs) bands (ev): -13.8382 -13.8382 -13.8377 -13.8377 -10.5295 -10.5295 -10.5264 -10.5264 -10.2657 -10.2657 -10.2607 -10.2607 -4.2291 -4.2291 -4.2273 -4.2273 -1.9368 -1.9368 -1.9110 -1.9110 -0.3738 -0.3738 -0.3723 -0.3723 0.0282 0.0282 0.0754 0.0754 1.0042 1.0042 1.0410 1.0410 1.7972 1.7972 1.7975 1.7975 2.8083 2.8083 2.8197 2.8197 3.5979 3.5979 3.5994 3.5994 3.8677 3.8677 3.8754 3.8754 9.4293 9.4293 9.4384 9.4384 9.9760 9.9760 10.0118 10.0118 11.3624 11.3624 k = 0.1727 0.2795 0.5361 ( 5022 PWs) bands (ev): -13.8426 -13.8426 -13.8420 -13.8420 -10.5525 -10.5525 -10.5495 -10.5495 -10.2215 -10.2215 -10.2165 -10.2165 -4.2985 -4.2985 -4.2970 -4.2970 -1.8794 -1.8794 -1.8528 -1.8528 -0.4016 -0.4016 -0.3997 -0.3997 0.0224 0.0224 0.0697 0.0697 1.0161 1.0161 1.0510 1.0510 1.8207 1.8207 1.8209 1.8209 2.8105 2.8105 2.8222 2.8222 3.6018 3.6018 3.6029 3.6029 3.8866 3.8866 3.8947 3.8947 9.4031 9.4031 9.4119 9.4119 9.9219 9.9219 9.9564 9.9564 11.3896 11.3896 k = 0.1637 0.2648 0.5361 ( 5030 PWs) bands (ev): -13.8468 -13.8468 -13.8463 -13.8463 -10.5745 -10.5745 -10.5716 -10.5716 -10.1776 -10.1776 -10.1727 -10.1727 -4.3667 -4.3667 -4.3656 -4.3656 -1.8246 -1.8246 -1.7975 -1.7975 -0.4291 -0.4291 -0.4268 -0.4268 0.0176 0.0176 0.0647 0.0647 1.0285 1.0285 1.0616 1.0616 1.8440 1.8440 1.8440 1.8440 2.8138 2.8138 2.8260 2.8260 3.6063 3.6063 3.6071 3.6071 3.9043 3.9043 3.9126 3.9126 9.3767 9.3767 9.3853 9.3853 9.8684 9.8684 9.9015 9.9015 11.4126 11.4126 k = 0.1546 0.2501 0.5361 ( 5028 PWs) bands (ev): -13.8510 -13.8510 -13.8505 -13.8505 -10.5953 -10.5953 -10.5927 -10.5927 -10.1343 -10.1343 -10.1294 -10.1294 -4.4337 -4.4337 -4.4328 -4.4328 -1.7728 -1.7728 -1.7453 -1.7453 -0.4560 -0.4560 -0.4535 -0.4535 0.0138 0.0138 0.0604 0.0604 1.0414 1.0414 1.0725 1.0725 1.8666 1.8666 1.8667 1.8667 2.8185 2.8185 2.8310 2.8310 3.6112 3.6112 3.6118 3.6118 3.9207 3.9207 3.9292 3.9292 9.3503 9.3503 9.3586 9.3586 9.8158 9.8158 9.8475 9.8475 11.4315 11.4315 k = 0.1455 0.2354 0.5361 ( 5032 PWs) bands (ev): -13.8550 -13.8550 -13.8545 -13.8545 -10.6151 -10.6151 -10.6126 -10.6126 -10.0916 -10.0916 -10.0868 -10.0868 -4.4991 -4.4991 -4.4985 -4.4985 -1.7239 -1.7239 -1.6962 -1.6962 -0.4823 -0.4823 -0.4795 -0.4795 0.0108 0.0108 0.0568 0.0568 1.0544 1.0544 1.0837 1.0837 1.8881 1.8881 1.8885 1.8885 2.8248 2.8248 2.8375 2.8375 3.6166 3.6166 3.6169 3.6169 3.9358 3.9358 3.9446 3.9446 9.3240 9.3240 9.3319 9.3319 9.7646 9.7646 9.7947 9.7947 11.4470 11.4470 k = 0.1364 0.2207 0.5361 ( 5020 PWs) bands (ev): -13.8589 -13.8589 -13.8584 -13.8584 -10.6338 -10.6338 -10.6314 -10.6314 -10.0499 -10.0499 -10.0452 -10.0452 -4.5626 -4.5626 -4.5622 -4.5622 -1.6780 -1.6780 -1.6504 -1.6504 -0.5077 -0.5077 -0.5047 -0.5047 0.0089 0.0089 0.0538 0.0538 1.0675 1.0675 1.0949 1.0949 1.9083 1.9083 1.9089 1.9089 2.8326 2.8326 2.8456 2.8456 3.6223 3.6223 3.6223 3.6223 3.9497 3.9497 3.9585 3.9585 9.2977 9.2977 9.3054 9.3054 9.7149 9.7149 9.7435 9.7435 11.4600 11.4600 k = 0.1273 0.2060 0.5361 ( 5010 PWs) bands (ev): -13.8626 -13.8626 -13.8622 -13.8622 -10.6513 -10.6513 -10.6490 -10.6490 -10.0092 -10.0092 -10.0047 -10.0047 -4.6239 -4.6239 -4.6238 -4.6238 -1.6352 -1.6352 -1.6078 -1.6078 -0.5320 -0.5320 -0.5290 -0.5290 0.0079 0.0079 0.0516 0.0516 1.0806 1.0806 1.1061 1.1061 1.9270 1.9270 1.9278 1.9278 2.8422 2.8422 2.8553 2.8553 3.6279 3.6279 3.6281 3.6281 3.9622 3.9622 3.9711 3.9711 9.2717 9.2717 9.2790 9.2790 9.6671 9.6671 9.6941 9.6941 11.4714 11.4714 k = 0.1182 0.1912 0.5361 ( 4994 PWs) bands (ev): -13.8662 -13.8662 -13.8657 -13.8657 -10.6676 -10.6676 -10.6655 -10.6655 -9.9700 -9.9700 -9.9656 -9.9656 -4.6829 -4.6829 -4.6828 -4.6828 -1.5955 -1.5955 -1.5687 -1.5687 -0.5552 -0.5552 -0.5521 -0.5521 0.0079 0.0079 0.0500 0.0500 1.0934 1.0934 1.1171 1.1171 1.9438 1.9438 1.9448 1.9448 2.8534 2.8534 2.8665 2.8665 3.6337 3.6337 3.6340 3.6340 3.9736 3.9736 3.9825 3.9825 9.2459 9.2459 9.2529 9.2529 9.6215 9.6215 9.6468 9.6468 11.4824 11.4824 k = 0.1091 0.1765 0.5361 ( 4994 PWs) bands (ev): -13.8695 -13.8695 -13.8691 -13.8691 -10.6827 -10.6827 -10.6808 -10.6808 -9.9322 -9.9322 -9.9281 -9.9281 -4.7392 -4.7392 -4.7390 -4.7390 -1.5590 -1.5590 -1.5329 -1.5329 -0.5772 -0.5772 -0.5740 -0.5740 0.0087 0.0087 0.0490 0.0490 1.1060 1.1060 1.1277 1.1277 1.9587 1.9587 1.9599 1.9599 2.8661 2.8661 2.8792 2.8792 3.6394 3.6394 3.6399 3.6399 3.9836 3.9836 3.9924 3.9924 9.2207 9.2207 9.2273 9.2273 9.5783 9.5783 9.6019 9.6019 11.4937 11.4938 k = 0.1000 0.1618 0.5361 ( 4990 PWs) bands (ev): -13.8727 -13.8727 -13.8723 -13.8723 -10.6967 -10.6967 -10.6949 -10.6949 -9.8963 -9.8963 -9.8924 -9.8924 -4.7925 -4.7925 -4.7921 -4.7921 -1.5255 -1.5255 -1.5004 -1.5004 -0.5977 -0.5977 -0.5946 -0.5946 0.0103 0.0103 0.0484 0.0484 1.1180 1.1180 1.1379 1.1379 1.9716 1.9716 1.9729 1.9729 2.8801 2.8801 2.8930 2.8930 3.6451 3.6451 3.6457 3.6457 3.9925 3.9925 4.0012 4.0012 9.1961 9.1961 9.2023 9.2023 9.5377 9.5377 9.5596 9.5596 11.5060 11.5067 k = 0.0909 0.1471 0.5361 ( 4978 PWs) bands (ev): -13.8756 -13.8756 -13.8753 -13.8753 -10.7095 -10.7095 -10.7078 -10.7078 -9.8624 -9.8624 -9.8588 -9.8588 -4.8424 -4.8424 -4.8419 -4.8419 -1.4950 -1.4950 -1.4713 -1.4713 -0.6167 -0.6167 -0.6137 -0.6137 0.0126 0.0126 0.0483 0.0483 1.1295 1.1295 1.1476 1.1476 1.9826 1.9826 1.9840 1.9840 2.8952 2.8952 2.9077 2.9077 3.6506 3.6506 3.6513 3.6513 4.0003 4.0003 4.0087 4.0087 9.1724 9.1724 9.1782 9.1782 9.5000 9.5000 9.5201 9.5201 11.5197 11.5201 k = 0.0818 0.1324 0.5361 ( 4986 PWs) bands (ev): -13.8783 -13.8783 -13.8780 -13.8780 -10.7210 -10.7210 -10.7196 -10.7196 -9.8309 -9.8309 -9.8275 -9.8275 -4.8886 -4.8886 -4.8881 -4.8881 -1.4676 -1.4676 -1.4455 -1.4455 -0.6341 -0.6341 -0.6313 -0.6313 0.0155 0.0155 0.0485 0.0485 1.1403 1.1403 1.1566 1.1566 1.9916 1.9916 1.9931 1.9931 2.9109 2.9109 2.9229 2.9229 3.6559 3.6559 3.6566 3.6566 4.0070 4.0070 4.0150 4.0150 9.1498 9.1498 9.1552 9.1552 9.4654 9.4654 9.4836 9.4836 11.5350 11.5351 k = 0.0727 0.1177 0.5361 ( 4992 PWs) bands (ev): -13.8808 -13.8808 -13.8805 -13.8805 -10.7314 -10.7314 -10.7301 -10.7301 -9.8018 -9.8018 -9.7987 -9.7987 -4.9308 -4.9308 -4.9303 -4.9303 -1.4432 -1.4432 -1.4228 -1.4228 -0.6499 -0.6499 -0.6473 -0.6473 0.0188 0.0188 0.0489 0.0489 1.1504 1.1504 1.1648 1.1648 1.9990 1.9990 2.0004 2.0004 2.9269 2.9269 2.9382 2.9382 3.6609 3.6609 3.6616 3.6616 4.0127 4.0127 4.0202 4.0202 9.1286 9.1286 9.1335 9.1335 9.4340 9.4340 9.4504 9.4504 11.5515 11.5516 k = 0.0636 0.1030 0.5361 ( 4996 PWs) bands (ev): -13.8829 -13.8829 -13.8827 -13.8827 -10.7405 -10.7405 -10.7394 -10.7394 -9.7755 -9.7755 -9.7727 -9.7727 -4.9689 -4.9689 -4.9683 -4.9683 -1.4216 -1.4216 -1.4033 -1.4033 -0.6639 -0.6639 -0.6615 -0.6615 0.0225 0.0225 0.0493 0.0493 1.1596 1.1596 1.1722 1.1722 2.0048 2.0048 2.0062 2.0062 2.9427 2.9427 2.9530 2.9530 3.6654 3.6654 3.6661 3.6661 4.0176 4.0176 4.0245 4.0245 9.1091 9.1091 9.1135 9.1135 9.4061 9.4061 9.4205 9.4205 11.5685 11.5690 k = 0.0546 0.0883 0.5361 ( 5002 PWs) bands (ev): -13.8849 -13.8849 -13.8846 -13.8846 -10.7484 -10.7484 -10.7474 -10.7474 -9.7521 -9.7521 -9.7497 -9.7497 -5.0024 -5.0024 -5.0019 -5.0019 -1.4029 -1.4029 -1.3868 -1.3868 -0.6762 -0.6762 -0.6740 -0.6740 0.0263 0.0263 0.0497 0.0497 1.1678 1.1678 1.1786 1.1786 2.0092 2.0092 2.0105 2.0105 2.9577 2.9577 2.9670 2.9670 3.6695 3.6695 3.6702 3.6702 4.0216 4.0216 4.0278 4.0278 9.0916 9.0916 9.0954 9.0954 9.3817 9.3817 9.3941 9.3941 11.5860 11.5866 k = 0.0455 0.0736 0.5361 ( 5018 PWs) bands (ev): -13.8865 -13.8865 -13.8863 -13.8863 -10.7551 -10.7551 -10.7543 -10.7543 -9.7319 -9.7319 -9.7299 -9.7299 -5.0312 -5.0312 -5.0308 -5.0308 -1.3870 -1.3870 -1.3733 -1.3733 -0.6866 -0.6866 -0.6847 -0.6847 0.0302 0.0302 0.0500 0.0500 1.1750 1.1750 1.1840 1.1840 2.0126 2.0126 2.0138 2.0138 2.9715 2.9715 2.9795 2.9795 3.6731 3.6731 3.6737 3.6737 4.0249 4.0249 4.0303 4.0303 9.0762 9.0762 9.0795 9.0795 9.3610 9.3610 9.3714 9.3714 11.6035 11.6035 k = 0.0364 0.0588 0.5361 ( 5010 PWs) bands (ev): -13.8878 -13.8878 -13.8877 -13.8877 -10.7606 -10.7606 -10.7599 -10.7599 -9.7151 -9.7151 -9.7135 -9.7135 -5.0551 -5.0551 -5.0547 -5.0547 -1.3737 -1.3737 -1.3626 -1.3626 -0.6951 -0.6951 -0.6936 -0.6936 0.0339 0.0339 0.0500 0.0500 1.1812 1.1812 1.1884 1.1884 2.0151 2.0151 2.0160 2.0160 2.9837 2.9837 2.9903 2.9903 3.6761 3.6761 3.6766 3.6766 4.0276 4.0276 4.0321 4.0321 9.0634 9.0634 9.0660 9.0660 9.3441 9.3441 9.3525 9.3525 11.6199 11.6213 k = 0.0273 0.0441 0.5361 ( 5010 PWs) bands (ev): -13.8889 -13.8889 -13.8888 -13.8888 -10.7648 -10.7648 -10.7643 -10.7643 -9.7018 -9.7018 -9.7006 -9.7006 -5.0738 -5.0738 -5.0735 -5.0735 -1.3632 -1.3632 -1.3547 -1.3547 -0.7017 -0.7017 -0.7005 -0.7005 0.0374 0.0374 0.0496 0.0496 1.1862 1.1862 1.1916 1.1916 2.0168 2.0168 2.0176 2.0176 2.9938 2.9938 2.9989 2.9989 3.6785 3.6785 3.6789 3.6789 4.0298 4.0298 4.0332 4.0332 9.0532 9.0532 9.0552 9.0552 9.3312 9.3312 9.3374 9.3374 11.6342 11.6343 k = 0.0182 0.0294 0.5361 ( 5018 PWs) bands (ev): -13.8896 -13.8896 -13.8896 -13.8896 -10.7678 -10.7678 -10.7674 -10.7674 -9.6921 -9.6921 -9.6913 -9.6913 -5.0873 -5.0873 -5.0871 -5.0871 -1.3553 -1.3553 -1.3496 -1.3496 -0.7064 -0.7064 -0.7056 -0.7056 0.0406 0.0406 0.0488 0.0488 1.1901 1.1901 1.1937 1.1937 2.0180 2.0180 2.0185 2.0185 3.0015 3.0015 3.0050 3.0050 3.6803 3.6803 3.6805 3.6805 4.0314 4.0314 4.0338 4.0338 9.0460 9.0460 9.0473 9.0473 9.3221 9.3221 9.3263 9.3263 11.6453 11.6459 k = 0.0091 0.0147 0.5361 ( 5018 PWs) bands (ev): -13.8901 -13.8901 -13.8900 -13.8900 -10.7695 -10.7695 -10.7694 -10.7694 -9.6862 -9.6862 -9.6858 -9.6858 -5.0954 -5.0954 -5.0953 -5.0953 -1.3499 -1.3499 -1.3471 -1.3471 -0.7091 -0.7091 -0.7087 -0.7087 0.0434 0.0434 0.0475 0.0475 1.1928 1.1928 1.1946 1.1946 2.0187 2.0187 2.0190 2.0190 3.0066 3.0066 3.0084 3.0084 3.6814 3.6814 3.6815 3.6815 4.0327 4.0327 4.0338 4.0338 9.0417 9.0417 9.0423 9.0423 9.3171 9.3171 9.3192 9.3192 11.6525 11.6528 k = 0.0000 0.0000 0.5361 ( 5018 PWs) bands (ev): -13.8902 -13.8902 -13.8902 -13.8902 -10.7701 -10.7701 -10.7701 -10.7701 -9.6841 -9.6841 -9.6841 -9.6841 -5.0981 -5.0981 -5.0981 -5.0981 -1.3472 -1.3472 -1.3472 -1.3472 -0.7099 -0.7099 -0.7099 -0.7099 0.0457 0.0457 0.0457 0.0457 1.1943 1.1943 1.1943 1.1943 2.0190 2.0190 2.0190 2.0190 3.0090 3.0090 3.0090 3.0090 3.6818 3.6818 3.6818 3.6818 4.0335 4.0335 4.0335 4.0335 9.0404 9.0404 9.0404 9.0404 9.3161 9.3161 9.3161 9.3161 11.6551 11.6551 k = 0.0000 0.0000 0.5361 ( 5018 PWs) bands (ev): -13.8902 -13.8902 -13.8902 -13.8902 -10.7701 -10.7701 -10.7701 -10.7701 -9.6841 -9.6841 -9.6841 -9.6841 -5.0981 -5.0981 -5.0981 -5.0981 -1.3472 -1.3472 -1.3472 -1.3472 -0.7099 -0.7099 -0.7099 -0.7099 0.0457 0.0457 0.0457 0.0457 1.1943 1.1943 1.1943 1.1943 2.0190 2.0190 2.0190 2.0190 3.0090 3.0090 3.0090 3.0090 3.6818 3.6818 3.6818 3.6818 4.0335 4.0335 4.0335 4.0335 9.0404 9.0404 9.0404 9.0404 9.3161 9.3161 9.3161 9.3161 11.6551 11.6551 k = 0.0000 0.0000 0.5188 ( 5010 PWs) bands (ev): -13.9032 -13.9032 -13.8773 -13.8773 -10.8127 -10.8127 -10.7261 -10.7261 -9.6868 -9.6868 -9.6820 -9.6820 -5.0994 -5.0994 -5.0937 -5.0937 -1.4763 -1.4763 -1.2216 -1.2216 -0.7374 -0.7374 -0.6822 -0.6822 0.0148 0.0148 0.0802 0.0802 1.1760 1.1760 1.2062 1.2062 2.0122 2.0122 2.0278 2.0278 2.9972 2.9972 3.0208 3.0208 3.6689 3.6689 3.6941 3.6941 4.0179 4.0179 4.0473 4.0473 9.0128 9.0128 9.0652 9.0652 9.3200 9.3200 9.3238 9.3238 11.6381 11.6381 k = 0.0000 0.0000 0.5015 ( 5015 PWs) bands (ev): -13.9164 -13.9164 -13.8647 -13.8647 -10.8539 -10.8539 -10.6809 -10.6809 -9.6902 -9.6902 -9.6805 -9.6805 -5.0977 -5.0977 -5.0862 -5.0862 -1.6077 -1.6077 -1.1011 -1.1011 -0.7647 -0.7647 -0.6547 -0.6547 -0.0110 -0.0110 0.1177 0.1177 1.1513 1.1513 1.2115 1.2115 2.0072 2.0072 2.0387 2.0387 2.9856 2.9856 3.0325 3.0325 3.6556 3.6556 3.7057 3.7057 4.0006 4.0006 4.0593 4.0593 8.9819 8.9819 9.0872 9.0872 9.3353 9.3353 9.3430 9.3430 11.6160 11.6160 k = 0.0000 0.0000 0.4842 ( 5019 PWs) bands (ev): -13.9297 -13.9297 -13.8522 -13.8522 -10.8936 -10.8936 -10.6344 -10.6344 -9.6941 -9.6941 -9.6796 -9.6796 -5.0930 -5.0930 -5.0756 -5.0756 -1.7406 -1.7406 -0.9884 -0.9884 -0.7910 -0.7910 -0.6273 -0.6273 -0.0299 -0.0299 0.1573 0.1573 1.1206 1.1206 1.2100 1.2100 2.0040 2.0040 2.0518 2.0518 2.9741 2.9741 3.0442 3.0442 3.6421 3.6421 3.7166 3.7166 3.9818 3.9818 4.0695 4.0695 8.9474 8.9474 9.1069 9.1069 9.3620 9.3620 9.3734 9.3734 11.5888 11.5888 k = 0.0000 0.0000 0.4669 ( 5015 PWs) bands (ev): -13.9431 -13.9431 -13.8401 -13.8401 -10.9319 -10.9319 -10.5868 -10.5868 -9.6986 -9.6986 -9.6794 -9.6794 -5.0854 -5.0854 -5.0620 -5.0620 -1.8741 -1.8741 -0.8895 -0.8895 -0.8134 -0.8134 -0.6002 -0.6002 -0.0394 -0.0394 0.1987 0.1987 1.0843 1.0843 1.2019 1.2019 2.0025 2.0025 2.0672 2.0672 2.9629 2.9629 3.0556 3.0556 3.6284 3.6284 3.7267 3.7267 3.9615 3.9615 4.0779 4.0779 8.9092 8.9092 9.1245 9.1245 9.3996 9.3996 9.4150 9.4150 11.5568 11.5568 k = 0.0000 0.0000 0.4496 ( 5021 PWs) bands (ev): -13.9564 -13.9564 -13.8282 -13.8282 -10.9687 -10.9687 -10.5381 -10.5381 -9.7036 -9.7036 -9.6797 -9.6797 -5.0750 -5.0750 -5.0454 -5.0454 -2.0078 -2.0078 -0.8556 -0.8556 -0.7844 -0.7844 -0.5734 -0.5734 -0.0358 -0.0358 0.2414 0.2414 1.0428 1.0428 1.1871 1.1871 2.0024 2.0024 2.0849 2.0849 2.9520 2.9520 3.0667 3.0667 3.6148 3.6148 3.7362 3.7362 3.9399 3.9399 4.0844 4.0844 8.8670 8.8670 9.1403 9.1403 9.4478 9.4478 9.4673 9.4673 11.5208 11.5208 k = 0.0000 0.0000 0.4323 ( 5013 PWs) bands (ev): -13.9698 -13.9698 -13.8167 -13.8167 -11.0041 -11.0041 -10.4883 -10.4883 -9.7091 -9.7091 -9.6807 -9.6807 -5.0618 -5.0618 -5.0260 -5.0260 -2.1411 -2.1411 -0.8769 -0.8769 -0.7179 -0.7179 -0.5470 -0.5470 -0.0155 -0.0155 0.2852 0.2852 0.9965 0.9965 1.1660 1.1660 2.0038 2.0038 2.1052 2.1052 2.9415 2.9415 3.0774 3.0774 3.6016 3.6016 3.7450 3.7450 3.9172 3.9172 4.0891 4.0891 8.8208 8.8208 9.1543 9.1543 9.5060 9.5060 9.5300 9.5300 11.4814 11.4814 k = 0.0000 0.0000 0.4150 ( 5021 PWs) bands (ev): -13.9831 -13.9831 -13.8055 -13.8055 -11.0379 -11.0379 -10.4377 -10.4377 -9.7150 -9.7150 -9.6821 -9.6821 -5.0460 -5.0460 -5.0036 -5.0036 -2.2736 -2.2736 -0.9013 -0.9013 -0.6687 -0.6687 -0.5214 -0.5214 0.0240 0.0240 0.3299 0.3299 0.9461 0.9461 1.1387 1.1387 2.0065 2.0065 2.1281 2.1281 2.9315 2.9315 3.0875 3.0875 3.5888 3.5888 3.7532 3.7532 3.8937 3.8937 4.0922 4.0922 8.7703 8.7703 9.1669 9.1669 9.5737 9.5737 9.6025 9.6025 11.4391 11.4391 k = 0.0000 0.0000 0.3977 ( 5019 PWs) bands (ev): -13.9963 -13.9963 -13.7946 -13.7946 -11.0702 -11.0702 -10.3864 -10.3864 -9.7213 -9.7213 -9.6841 -9.6841 -5.0279 -5.0279 -4.9786 -4.9786 -2.4049 -2.4049 -0.9256 -0.9256 -0.6393 -0.6393 -0.4972 -0.4972 0.0823 0.0823 0.3752 0.3752 0.8920 0.8920 1.1057 1.1057 2.0104 2.0104 2.1536 2.1536 2.9220 2.9220 3.0969 3.0969 3.5767 3.5767 3.7609 3.7609 3.8694 3.8694 4.0936 4.0936 8.7157 8.7157 9.1782 9.1782 9.6501 9.6501 9.6843 9.6843 11.3946 11.3946 k = 0.0000 0.0000 0.3804 ( 5019 PWs) bands (ev): -14.0093 -14.0093 -13.7842 -13.7842 -11.1010 -11.1010 -10.3344 -10.3344 -9.7279 -9.7279 -9.6865 -9.6865 -5.0074 -5.0074 -4.9511 -4.9511 -2.5346 -2.5346 -0.9493 -0.9493 -0.6264 -0.6264 -0.4749 -0.4749 0.1555 0.1555 0.4209 0.4209 0.8350 0.8350 1.0672 1.0672 2.0154 2.0154 2.1818 2.1818 2.9132 2.9132 3.1054 3.1054 3.5653 3.5653 3.7682 3.7682 3.8448 3.8448 4.0936 4.0936 8.6570 8.6570 9.1883 9.1883 9.7345 9.7345 9.7748 9.7748 11.3485 11.3485 k = 0.0000 0.0000 0.3632 ( 5031 PWs) bands (ev): -14.0221 -14.0221 -13.7741 -13.7741 -11.1303 -11.1303 -10.2819 -10.2819 -9.7349 -9.7349 -9.6893 -9.6893 -4.9849 -4.9849 -4.9212 -4.9212 -2.6623 -2.6623 -0.9722 -0.9722 -0.6256 -0.6256 -0.4550 -0.4550 0.2386 0.2386 0.4669 0.4669 0.7758 0.7758 1.0239 1.0239 2.0213 2.0213 2.2128 2.2128 2.9051 2.9051 3.1128 3.1128 3.5547 3.5547 3.7751 3.7751 3.8201 3.8201 4.0922 4.0922 8.5945 8.5945 9.1974 9.1974 9.8258 9.8258 9.8734 9.8734 11.3010 11.3010 k = 0.0000 0.0000 0.3459 ( 5023 PWs) bands (ev): -14.0347 -14.0347 -13.7645 -13.7645 -11.1581 -11.1581 -10.2291 -10.2291 -9.7420 -9.7420 -9.6925 -9.6925 -4.9605 -4.9605 -4.8891 -4.8891 -2.7878 -2.7878 -0.9942 -0.9942 -0.6330 -0.6330 -0.4373 -0.4373 0.3269 0.3269 0.5128 0.5128 0.7154 0.7154 0.9762 0.9762 2.0281 2.0281 2.2464 2.2464 2.8979 2.8979 3.1190 3.1190 3.5452 3.5452 3.7816 3.7816 3.7960 3.7960 4.0896 4.0896 8.5283 8.5283 9.2057 9.2057 9.9231 9.9231 9.9794 9.9794 11.2527 11.2527 k = 0.0000 0.0000 0.3286 ( 5023 PWs) bands (ev): -14.0470 -14.0470 -13.7553 -13.7553 -11.1845 -11.1845 -10.1762 -10.1762 -9.7493 -9.7493 -9.6961 -9.6961 -4.9344 -4.9344 -4.8550 -4.8550 -2.9107 -2.9107 -1.0151 -1.0151 -0.6458 -0.6458 -0.4222 -0.4222 0.4168 0.4168 0.5579 0.5579 0.6555 0.6555 0.9248 0.9248 2.0356 2.0356 2.2825 2.2825 2.8917 2.8917 3.1237 3.1237 3.5365 3.5365 3.7713 3.7713 3.7891 3.7891 4.0861 4.0861 8.4588 8.4588 9.2132 9.2132 10.0252 10.0252 10.0922 10.0922 11.2039 11.2039 k = 0.0000 0.0000 0.3113 ( 5017 PWs) bands (ev): -14.0590 -14.0590 -13.7465 -13.7465 -11.2093 -11.2093 -10.1234 -10.1234 -9.7567 -9.7567 -9.6998 -9.6998 -4.9070 -4.9070 -4.8192 -4.8192 -3.0306 -3.0306 -1.0350 -1.0350 -0.6618 -0.6618 -0.4100 -0.4100 0.5051 0.5051 0.5812 0.5812 0.6182 0.6182 0.8704 0.8704 2.0436 2.0436 2.3209 2.3209 2.8867 2.8867 3.1267 3.1267 3.5288 3.5288 3.7485 3.7485 3.7955 3.7955 4.0818 4.0818 8.3865 8.3865 9.2200 9.2200 10.1309 10.1309 10.2112 10.2112 11.1549 11.1549 k = 0.0000 0.0000 0.2940 ( 5025 PWs) bands (ev): -14.0706 -14.0706 -13.7382 -13.7382 -11.2327 -11.2327 -10.0708 -10.0708 -9.7641 -9.7641 -9.7038 -9.7038 -4.8784 -4.8784 -4.7819 -4.7819 -3.1471 -3.1471 -1.0536 -1.0536 -0.6798 -0.6798 -0.4013 -0.4013 0.5289 0.5289 0.5897 0.5897 0.6586 0.6586 0.8138 0.8138 2.0521 2.0521 2.3611 2.3611 2.8832 2.8832 3.1277 3.1277 3.5220 3.5220 3.7269 3.7269 3.8021 3.8021 4.0769 4.0769 8.3117 8.3117 9.2261 9.2261 10.2385 10.2385 10.3356 10.3356 11.1059 11.1059 k = 0.0000 0.0000 0.2767 ( 5033 PWs) bands (ev): -14.0818 -14.0818 -13.7303 -13.7303 -11.2546 -11.2546 -10.0188 -10.0188 -9.7714 -9.7714 -9.7079 -9.7079 -4.8490 -4.8490 -4.7434 -4.7434 -3.2600 -3.2600 -1.0711 -1.0711 -0.6986 -0.6986 -0.3965 -0.3965 0.4727 0.4727 0.6618 0.6618 0.7114 0.7114 0.7575 0.7575 2.0610 2.0610 2.4027 2.4027 2.8815 2.8815 3.1266 3.1266 3.5161 3.5161 3.7069 3.7069 3.8087 3.8087 4.0718 4.0718 8.2350 8.2350 9.2317 9.2317 10.3462 10.3462 10.4647 10.4647 11.0572 11.0572 k = 0.0000 0.0000 0.2594 ( 5041 PWs) bands (ev): -14.0926 -14.0926 -13.7229 -13.7229 -11.2751 -11.2751 -9.9676 -9.9676 -9.7787 -9.7787 -9.7121 -9.7121 -4.8189 -4.8189 -4.7040 -4.7040 -3.3689 -3.3689 -1.0872 -1.0872 -0.7178 -0.7178 -0.3963 -0.3963 0.4192 0.4192 0.6831 0.6831 0.7327 0.7327 0.7779 0.7779 2.0700 2.0700 2.4448 2.4448 2.8821 2.8821 3.1232 3.1232 3.5111 3.5111 3.6889 3.6889 3.8153 3.8153 4.0667 4.0667 8.1569 8.1569 9.2368 9.2368 10.4517 10.4517 10.5980 10.5980 11.0093 11.0093 k = 0.0000 0.0000 0.2421 ( 5043 PWs) bands (ev): -14.1028 -14.1028 -13.7159 -13.7159 -11.2941 -11.2941 -9.9175 -9.9175 -9.7857 -9.7857 -9.7164 -9.7164 -4.7886 -4.7886 -4.6641 -4.6641 -3.4733 -3.4733 -1.1021 -1.1021 -0.7368 -0.7368 -0.4012 -0.4012 0.3700 0.3700 0.6287 0.6287 0.7740 0.7740 0.8478 0.8478 2.0792 2.0792 2.4864 2.4864 2.8854 2.8854 3.1176 3.1176 3.5068 3.5068 3.6731 3.6731 3.8219 3.8219 4.0618 4.0618 8.0782 8.0782 9.2414 9.2414 10.5522 10.5522 10.7348 10.7348 10.9624 10.9624 k = 0.0000 0.0000 0.2248 ( 5049 PWs) bands (ev): -14.1126 -14.1126 -13.7095 -13.7095 -11.3118 -11.3118 -9.8689 -9.8689 -9.7925 -9.7925 -9.7206 -9.7206 -4.7584 -4.7584 -4.6240 -4.6240 -3.5730 -3.5730 -1.1155 -1.1155 -0.7552 -0.7552 -0.4114 -0.4114 0.3263 0.3263 0.5691 0.5691 0.8163 0.8163 0.9155 0.9155 2.0883 2.0883 2.5261 2.5261 2.8921 2.8921 3.1096 3.1096 3.5032 3.5032 3.6595 3.6595 3.8285 3.8285 4.0576 4.0576 7.9993 7.9993 9.2457 9.2457 10.6442 10.6442 10.8742 10.8742 10.9170 10.9170 k = 0.0000 0.0000 0.2075 ( 5059 PWs) bands (ev): -14.1217 -14.1217 -13.7035 -13.7035 -11.3281 -11.3281 -9.8226 -9.8226 -9.7983 -9.7983 -9.7246 -9.7246 -4.7285 -4.7285 -4.5842 -4.5842 -3.6675 -3.6675 -1.1277 -1.1277 -0.7729 -0.7729 -0.4271 -0.4271 0.2887 0.2887 0.5096 0.5096 0.8567 0.8567 0.9787 0.9787 2.0973 2.0973 2.5627 2.5627 2.9030 2.9030 3.0995 3.0995 3.5002 3.5002 3.6484 3.6484 3.8350 3.8350 4.0542 4.0542 7.9212 7.9212 9.2495 9.2495 10.7238 10.7238 10.8732 10.8732 11.0161 11.0161 k = 0.0000 0.0000 0.1902 ( 5041 PWs) bands (ev): -14.1303 -14.1303 -13.6979 -13.6979 -11.3430 -11.3430 -9.8067 -9.8067 -9.7756 -9.7756 -9.7284 -9.7284 -4.6993 -4.6993 -4.5451 -4.5451 -3.7565 -3.7565 -1.1385 -1.1385 -0.7896 -0.7896 -0.4480 -0.4480 0.2574 0.2574 0.4515 0.4515 0.8952 0.8952 1.0367 1.0367 2.1061 2.1061 2.5948 2.5948 2.9184 2.9184 3.0877 3.0877 3.4977 3.4977 3.6394 3.6394 3.8414 3.8414 4.0519 4.0519 7.8445 7.8445 9.2530 9.2530 10.7854 10.7854 10.8341 10.8341 11.1593 11.1593 k = 0.0000 0.0000 0.1729 ( 5045 PWs) bands (ev): -14.1382 -14.1382 -13.6929 -13.6929 -11.3565 -11.3565 -9.8121 -9.8121 -9.7375 -9.7375 -9.7280 -9.7280 -4.6712 -4.6712 -4.5070 -4.5070 -3.8395 -3.8395 -1.1479 -1.1479 -0.8052 -0.8052 -0.4732 -0.4732 0.2322 0.2322 0.3955 0.3955 0.9315 0.9315 1.0894 1.0894 2.1144 2.1144 2.6214 2.6214 2.9383 2.9383 3.0744 3.0744 3.4958 3.4958 3.6326 3.6326 3.8476 3.8476 4.0510 4.0510 7.7701 7.7701 9.2561 9.2561 10.7854 10.7854 10.8414 10.8414 11.3032 11.3032 k = 0.0000 0.0000 0.1556 ( 5029 PWs) bands (ev): -14.1454 -14.1454 -13.6883 -13.6883 -11.3687 -11.3687 -9.8175 -9.8175 -9.7369 -9.7369 -9.6922 -9.6922 -4.6444 -4.6444 -4.4706 -4.4706 -3.9162 -3.9162 -1.1561 -1.1561 -0.8195 -0.8195 -0.5016 -0.5016 0.2127 0.2127 0.3422 0.3422 0.9655 0.9655 1.1365 1.1365 2.1224 2.1224 2.6424 2.6424 2.9620 2.9620 3.0603 3.0603 3.4942 3.4942 3.6276 3.6276 3.8535 3.8535 4.0515 4.0515 7.6988 7.6988 9.2589 9.2589 10.7501 10.7501 10.8696 10.8696 11.4471 11.4471 k = 0.0000 0.0000 0.1383 ( 5041 PWs) bands (ev): -14.1520 -14.1520 -13.6843 -13.6843 -11.3796 -11.3796 -9.8225 -9.8225 -9.7400 -9.7400 -9.6553 -9.6553 -4.6194 -4.6194 -4.4362 -4.4362 -3.9861 -3.9861 -1.1630 -1.1630 -0.8326 -0.8326 -0.5319 -0.5319 0.1980 0.1980 0.2924 0.2924 0.9970 0.9970 1.1783 1.1783 2.1298 2.1298 2.6584 2.6584 2.9878 2.9878 3.0461 3.0461 3.4930 3.4930 3.6241 3.6241 3.8590 3.8590 4.0535 4.0535 7.6314 7.6314 9.2615 9.2615 10.7160 10.7160 10.8849 10.8849 11.5902 11.5902 k = 0.0000 0.0000 0.1211 ( 5041 PWs) bands (ev): -14.1579 -14.1579 -13.6807 -13.6807 -11.3892 -11.3892 -9.8270 -9.8270 -9.7430 -9.7430 -9.6216 -9.6216 -4.5964 -4.5964 -4.4043 -4.4043 -4.0489 -4.0489 -1.1688 -1.1688 -0.8442 -0.8442 -0.5625 -0.5625 0.1871 0.1871 0.2468 0.2468 1.0256 1.0256 1.2148 1.2148 2.1365 2.1365 2.6701 2.6701 3.0122 3.0122 3.0341 3.0341 3.4921 3.4921 3.6219 3.6219 3.8642 3.8642 4.0568 4.0568 7.5690 7.5690 9.2637 9.2637 10.6848 10.6848 10.8896 10.8896 11.7316 11.7316 k = 0.0000 0.0000 0.1038 ( 5045 PWs) bands (ev): -14.1630 -14.1630 -13.6775 -13.6775 -11.3974 -11.3974 -9.8310 -9.8310 -9.7457 -9.7457 -9.5916 -9.5916 -4.5757 -4.5757 -4.3755 -4.3755 -4.1042 -4.1042 -1.1735 -1.1735 -0.8544 -0.8544 -0.5920 -0.5920 0.1791 0.1791 0.2060 0.2060 1.0511 1.0511 1.2461 1.2461 2.1425 2.1425 2.6785 2.6785 3.0138 3.0138 3.0445 3.0445 3.4914 3.4914 3.6206 3.6206 3.8688 3.8688 4.0614 4.0614 7.5124 7.5124 9.2656 9.2656 10.6571 10.6571 10.8874 10.8874 11.8703 11.8703 k = 0.0000 0.0000 0.0865 ( 5033 PWs) bands (ev): -14.1674 -14.1674 -13.6749 -13.6749 -11.4044 -11.4044 -9.8344 -9.8344 -9.7480 -9.7480 -9.5656 -9.5656 -4.5577 -4.5577 -4.3501 -4.3501 -4.1516 -4.1516 -1.1772 -1.1772 -0.8632 -0.8632 -0.6192 -0.6192 0.1672 0.1672 0.1768 0.1768 1.0733 1.0733 1.2724 1.2724 2.1478 2.1478 2.6845 2.6845 3.0023 3.0023 3.0670 3.0670 3.4909 3.4909 3.6200 3.6200 3.8729 3.8729 4.0666 4.0666 7.4625 7.4625 9.2673 9.2673 10.6330 10.6330 10.8813 10.8813 12.0046 12.0046 k = 0.0000 0.0000 0.0692 ( 5029 PWs) bands (ev): -14.1710 -14.1710 -13.6727 -13.6727 -11.4101 -11.4101 -9.8373 -9.8373 -9.7499 -9.7499 -9.5438 -9.5438 -4.5426 -4.5426 -4.3287 -4.3287 -4.1909 -4.1909 -1.1801 -1.1801 -0.8703 -0.8703 -0.6429 -0.6429 0.1389 0.1389 0.1715 0.1715 1.0918 1.0918 1.2937 1.2937 2.1521 2.1521 2.6887 2.6887 2.9915 2.9915 3.0871 3.0871 3.4905 3.4905 3.6198 3.6198 3.8763 3.8763 4.0721 4.0721 7.4203 7.4203 9.2686 9.2686 10.6130 10.6130 10.8736 10.8736 12.1288 12.1288 k = 0.0000 0.0000 0.0519 ( 5033 PWs) bands (ev): -14.1738 -14.1738 -13.6711 -13.6711 -11.4145 -11.4145 -9.8395 -9.8395 -9.7515 -9.7515 -9.5266 -9.5266 -4.5306 -4.5306 -4.3116 -4.3116 -4.2217 -4.2217 -1.1822 -1.1822 -0.8760 -0.8760 -0.6623 -0.6623 0.1152 0.1152 0.1689 0.1689 1.1065 1.1065 1.3102 1.3102 2.1556 2.1556 2.6916 2.6916 2.9825 2.9825 3.1033 3.1033 3.4902 3.4902 3.6199 3.6199 3.8791 3.8791 4.0772 4.0772 7.3865 7.3865 9.2697 9.2697 10.5971 10.5971 10.8662 10.8662 12.1559 12.1559 k = 0.0000 0.0000 0.0346 ( 5037 PWs) bands (ev): -14.1758 -14.1758 -13.6699 -13.6699 -11.4177 -11.4177 -9.8411 -9.8411 -9.7526 -9.7526 -9.5142 -9.5142 -4.5219 -4.5219 -4.2992 -4.2992 -4.2439 -4.2439 -1.1837 -1.1837 -0.8800 -0.8800 -0.6767 -0.6767 0.0979 0.0979 0.1675 0.1675 1.1172 1.1172 1.3220 1.3220 2.1581 2.1581 2.6934 2.6934 2.9758 2.9758 3.1152 3.1152 3.4901 3.4901 3.6200 3.6200 3.8810 3.8810 4.0814 4.0814 7.3619 7.3619 9.2705 9.2705 10.5857 10.5857 10.8602 10.8602 12.1564 12.1564 k = 0.0000 0.0000 0.0173 ( 5037 PWs) bands (ev): -14.1770 -14.1770 -13.6691 -13.6691 -11.4196 -11.4196 -9.8421 -9.8421 -9.7532 -9.7532 -9.5067 -9.5067 -4.5166 -4.5166 -4.2916 -4.2916 -4.2573 -4.2573 -1.1845 -1.1845 -0.8824 -0.8824 -0.6855 -0.6855 0.0874 0.0874 0.1667 0.1667 1.1236 1.1236 1.3290 1.3290 2.1596 2.1596 2.6945 2.6945 2.9716 2.9716 3.1224 3.1224 3.4900 3.4900 3.6201 3.6201 3.8823 3.8823 4.0841 4.0841 7.3469 7.3469 9.2709 9.2709 10.5788 10.5788 10.8563 10.8563 12.1561 12.1561 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -14.1774 -14.1774 -13.6689 -13.6689 -11.4202 -11.4202 -9.8424 -9.8424 -9.7535 -9.7535 -9.5042 -9.5042 -4.5148 -4.5148 -4.2891 -4.2891 -4.2617 -4.2617 -1.1848 -1.1848 -0.8832 -0.8832 -0.6885 -0.6885 0.0838 0.0838 0.1664 0.1664 1.1258 1.1258 1.3313 1.3313 2.1601 2.1601 2.6948 2.6948 2.9702 2.9702 3.1248 3.1248 3.4900 3.4900 3.6202 3.6202 3.8827 3.8827 4.0850 4.0850 7.3418 7.3418 9.2711 9.2711 10.5765 10.5765 10.8549 10.8549 12.1559 12.1559 k = 0.0000 0.0000 0.0000 ( 5037 PWs) bands (ev): -14.1774 -14.1774 -13.6689 -13.6689 -11.4202 -11.4202 -9.8424 -9.8424 -9.7535 -9.7535 -9.5042 -9.5042 -4.5148 -4.5148 -4.2891 -4.2891 -4.2617 -4.2617 -1.1848 -1.1848 -0.8832 -0.8832 -0.6885 -0.6885 0.0838 0.0838 0.1664 0.1664 1.1258 1.1258 1.3313 1.3313 2.1601 2.1601 2.6948 2.6948 2.9702 2.9702 3.1248 3.1248 3.4900 3.4900 3.6202 3.6202 3.8827 3.8827 4.0850 4.0850 7.3418 7.3418 9.2711 9.2711 10.5765 10.5765 10.8549 10.8549 12.1559 12.1559 k =-0.0147 0.0091 0.0000 ( 5039 PWs) bands (ev): -14.1768 -14.1768 -13.6690 -13.6689 -11.4219 -11.4219 -9.8424 -9.8420 -9.7537 -9.7532 -9.5046 -9.5034 -4.5127 -4.5117 -4.3187 -4.3162 -4.2344 -4.2303 -1.1873 -1.1842 -0.8824 -0.8805 -0.6905 -0.6885 0.0818 0.0829 0.1616 0.1654 1.1271 1.1275 1.3319 1.3337 2.1600 2.1603 2.6925 2.6935 2.9712 2.9721 3.1245 3.1247 3.4855 3.4862 3.6204 3.6205 3.8820 3.8821 4.0854 4.0856 7.3462 7.3463 9.2690 9.2723 10.5765 10.5780 10.8563 10.8578 12.1470 12.1536 k =-0.0294 0.0182 0.0000 ( 5041 PWs) bands (ev): -14.1750 -14.1750 -13.6692 -13.6689 -11.4270 -11.4269 -9.8420 -9.8412 -9.7540 -9.7529 -9.5049 -9.5024 -4.5053 -4.5034 -4.3560 -4.3542 -4.1941 -4.1891 -1.1917 -1.1855 -0.8779 -0.8743 -0.6945 -0.6905 0.0767 0.0789 0.1509 0.1584 1.1316 1.1324 1.3354 1.3391 2.1598 2.1605 2.6866 2.6885 2.9750 2.9768 3.1236 3.1242 3.4729 3.4743 3.6212 3.6214 3.8801 3.8803 4.0867 4.0872 7.3593 7.3595 9.2660 9.2725 10.5782 10.5812 10.8619 10.8648 12.1276 12.1391 k =-0.0441 0.0273 0.0000 ( 5027 PWs) bands (ev): -14.1720 -14.1720 -13.6694 -13.6691 -11.4354 -11.4352 -9.8411 -9.8400 -9.7542 -9.7526 -9.5048 -9.5011 -4.4927 -4.4899 -4.3928 -4.3917 -4.1522 -4.1464 -1.1978 -1.1888 -0.8699 -0.8647 -0.7005 -0.6944 0.0687 0.0719 0.1344 0.1457 1.1391 1.1404 1.3419 1.3473 2.1597 2.1607 2.6771 2.6800 2.9814 2.9840 3.1223 3.1231 3.4525 3.4546 3.6227 3.6230 3.8770 3.8774 4.0890 4.0896 7.3808 7.3812 9.2622 9.2719 10.5818 10.5861 10.8713 10.8755 12.0983 12.1116 k =-0.0588 0.0364 0.0000 ( 5023 PWs) bands (ev): -14.1678 -14.1677 -13.6697 -13.6693 -11.4471 -11.4467 -9.8399 -9.8385 -9.7544 -9.7522 -9.5046 -9.4997 -4.4752 -4.4712 -4.4283 -4.4282 -4.1092 -4.1026 -1.2054 -1.1938 -0.8586 -0.8519 -0.7083 -0.7002 0.0577 0.0618 0.1126 0.1275 1.1497 1.1513 1.3512 1.3584 2.1597 2.1609 2.6639 2.6678 2.9900 2.9933 3.1206 3.1216 3.4249 3.4277 3.6251 3.6254 3.8727 3.8732 4.0921 4.0930 7.4105 7.4109 9.2580 9.2707 10.5876 10.5929 10.8841 10.8891 12.0604 12.0727 k =-0.0735 0.0454 0.0000 ( 5021 PWs) bands (ev): -14.1625 -14.1624 -13.6701 -13.6696 -11.4618 -11.4614 -9.8384 -9.8366 -9.7544 -9.7517 -9.5041 -9.4980 -4.4654 -4.4636 -4.4499 -4.4475 -4.0654 -4.0580 -1.2144 -1.2003 -0.8443 -0.8360 -0.7180 -0.7078 0.0439 0.0486 0.0856 0.1042 1.1633 1.1652 1.3632 1.3720 2.1596 2.1611 2.6469 2.6517 3.0002 3.0041 3.1184 3.1196 3.3908 3.3941 3.6284 3.6288 3.8673 3.8679 4.0961 4.0971 7.4476 7.4481 9.2535 9.2692 10.5956 10.6017 10.8994 10.9050 12.0156 12.0255 k =-0.0882 0.0545 0.0000 ( 5017 PWs) bands (ev): -14.1560 -14.1558 -13.6706 -13.6699 -11.4794 -11.4790 -9.8366 -9.8345 -9.7544 -9.7512 -9.5035 -9.4963 -4.4976 -4.4973 -4.4236 -4.4188 -4.0209 -4.0127 -1.2244 -1.2081 -0.8272 -0.8174 -0.7294 -0.7168 0.0269 0.0322 0.0541 0.0763 1.1797 1.1820 1.3778 1.3882 2.1596 2.1613 2.6260 2.6319 3.0115 3.0159 3.1158 3.1172 3.3509 3.3549 3.6330 3.6335 3.8610 3.8617 4.1008 4.1020 7.4915 7.4921 9.2492 9.2676 10.6062 10.6128 10.9163 10.9222 11.9662 11.9733 k =-0.1029 0.0636 0.0000 ( 5017 PWs) bands (ev): -14.1483 -14.1482 -13.6711 -13.6704 -11.4999 -11.4994 -9.8345 -9.8321 -9.7541 -9.7505 -9.5028 -9.4946 -4.5302 -4.5292 -4.3911 -4.3852 -3.9758 -3.9667 -1.2355 -1.2171 -0.8080 -0.7963 -0.7423 -0.7267 0.0059 0.0121 0.0196 0.0447 1.1990 1.2015 1.3948 1.4067 2.1595 2.1614 2.6011 2.6081 3.0230 3.0279 3.1128 3.1142 3.3063 3.3108 3.6390 3.6395 3.8538 3.8546 4.1063 4.1076 7.5416 7.5423 9.2453 9.2663 10.6194 10.6264 10.9340 10.9399 11.9141 11.9187 k =-0.1176 0.0727 0.0000 ( 5023 PWs) bands (ev): -14.1396 -14.1394 -13.6717 -13.6709 -11.5229 -11.5224 -9.8323 -9.8296 -9.7537 -9.7496 -9.5020 -9.4929 -4.5615 -4.5599 -4.3538 -4.3470 -3.9301 -3.9202 -1.2473 -1.2271 -0.7885 -0.7739 -0.7553 -0.7359 -0.0262 -0.0131 -0.0104 0.0113 1.2209 1.2237 1.4139 1.4272 2.1594 2.1616 2.5722 2.5804 3.0341 3.0393 3.1094 3.1108 3.2578 3.2630 3.6465 3.6472 3.8459 3.8468 4.1123 4.1138 7.5970 7.5978 9.2423 9.2656 10.6353 10.6425 10.9514 10.9571 11.8609 11.8634 k =-0.1324 0.0818 0.0000 ( 5017 PWs) bands (ev): -14.1298 -14.1296 -13.6723 -13.6714 -11.5483 -11.5477 -9.8299 -9.8270 -9.7530 -9.7485 -9.5013 -9.4912 -4.5912 -4.5891 -4.3119 -4.3043 -3.8840 -3.8733 -1.2598 -1.2379 -0.7768 -0.7750 -0.7438 -0.7362 -0.0686 -0.0462 -0.0362 -0.0206 1.2454 1.2484 1.4349 1.4496 2.1593 2.1617 2.5393 2.5486 3.0439 3.0492 3.1056 3.1067 3.2066 3.2125 3.6557 3.6564 3.8379 3.8387 4.1189 4.1205 7.6570 7.6578 9.2404 9.2659 10.6540 10.6613 10.9677 10.9730 11.8077 11.8086 k =-0.1471 0.0909 0.0000 ( 5017 PWs) bands (ev): -14.1190 -14.1188 -13.6730 -13.6720 -11.5759 -11.5753 -9.8274 -9.8243 -9.7520 -9.7471 -9.5007 -9.4898 -4.6196 -4.6170 -4.2656 -4.2572 -3.8375 -3.8260 -1.2729 -1.2493 -0.7916 -0.7825 -0.7181 -0.7158 -0.1149 -0.0871 -0.0636 -0.0506 1.2724 1.2756 1.4576 1.4736 2.1592 2.1617 2.5023 2.5129 3.0516 3.0568 3.1014 3.1014 3.1536 3.1610 3.6662 3.6670 3.8301 3.8310 4.1260 4.1277 7.7208 7.7217 9.2401 9.2675 10.6754 10.6828 10.9819 10.9868 11.7549 11.7553 k =-0.1618 0.1000 0.0000 ( 5029 PWs) bands (ev): -14.1072 -14.1070 -13.6737 -13.6727 -11.6054 -11.6048 -9.8248 -9.8216 -9.7507 -9.7454 -9.5003 -9.4885 -4.6464 -4.6434 -4.2151 -4.2059 -3.7907 -3.7784 -1.2865 -1.2612 -0.8098 -0.7965 -0.6909 -0.6851 -0.1641 -0.1326 -0.0933 -0.0815 1.3018 1.3051 1.4817 1.4990 2.1591 2.1617 2.4613 2.4732 3.0561 3.0608 3.0893 3.0954 3.1020 3.1152 3.6773 3.6780 3.8238 3.8245 4.1335 4.1352 7.7878 7.7887 9.2416 9.2708 10.6996 10.7069 10.9931 10.9977 11.7030 11.7045 k =-0.1765 0.1091 0.0000 ( 5029 PWs) bands (ev): -14.0945 -14.0943 -13.6745 -13.6734 -11.6365 -11.6359 -9.8223 -9.8190 -9.7491 -9.7434 -9.5001 -9.4876 -4.6716 -4.6683 -4.1608 -4.1507 -3.7437 -3.7307 -1.3003 -1.2735 -0.8290 -0.8133 -0.6600 -0.6522 -0.2154 -0.1811 -0.1253 -0.1142 1.3334 1.3368 1.5069 1.5254 2.1589 2.1616 2.4168 2.4301 3.0405 3.0431 3.0615 3.0670 3.0929 3.0988 3.6876 3.6882 3.8204 3.8210 4.1414 4.1431 7.8571 7.8581 9.2452 9.2760 10.7264 10.7337 11.0007 11.0051 11.6532 11.6557 k =-0.1912 0.1182 0.0000 ( 5033 PWs) bands (ev): -14.0809 -14.0807 -13.6753 -13.6742 -11.6691 -11.6685 -9.8198 -9.8164 -9.7471 -9.7410 -9.5001 -9.4870 -4.6954 -4.6917 -4.1027 -4.0919 -3.6966 -3.6829 -1.3144 -1.2860 -0.8490 -0.8315 -0.6269 -0.6174 -0.2684 -0.2318 -0.1594 -0.1492 1.3672 1.3705 1.5328 1.5525 2.1587 2.1614 2.3689 2.3837 2.9878 2.9920 3.0585 3.0635 3.0878 3.0919 3.6946 3.6950 3.8222 3.8226 4.1494 4.1512 7.9282 7.9292 9.2512 9.2833 10.7556 10.7629 11.0040 11.0084 11.6059 11.6092 k =-0.2059 0.1272 0.0000 ( 5027 PWs) bands (ev): -14.0665 -14.0663 -13.6761 -13.6750 -11.7029 -11.7023 -9.8173 -9.8139 -9.7447 -9.7382 -9.5005 -9.4868 -4.7176 -4.7137 -4.0411 -4.0296 -3.6496 -3.6352 -1.3287 -1.2988 -0.8696 -0.8506 -0.5925 -0.5811 -0.3226 -0.2841 -0.1955 -0.1864 1.4029 1.4062 1.5590 1.5800 2.1584 2.1611 2.3185 2.3349 2.9340 2.9389 3.0537 3.0585 3.0819 3.0854 3.6964 3.6965 3.8313 3.8313 4.1577 4.1595 8.0005 8.0015 9.2597 9.2930 10.7871 10.7945 11.0027 11.0074 11.5613 11.5652 k =-0.2206 0.1363 0.0000 ( 5031 PWs) bands (ev): -14.0515 -14.0512 -13.6769 -13.6758 -11.7376 -11.7370 -9.8150 -9.8115 -9.7418 -9.7350 -9.5013 -9.4870 -4.7383 -4.7341 -3.9764 -3.9641 -3.6026 -3.5877 -1.3431 -1.3115 -0.8907 -0.8704 -0.5579 -0.5434 -0.3772 -0.3375 -0.2330 -0.2257 1.4405 1.4437 1.5850 1.6072 2.1580 2.1607 2.2663 2.2843 2.8809 2.8862 3.0461 3.0507 3.0749 3.0783 3.6922 3.6924 3.8475 3.8477 4.1661 4.1679 8.0733 8.0744 9.2710 9.3053 10.8203 10.8281 10.9965 11.0019 11.5194 11.5240 k =-0.2353 0.1454 0.0000 ( 5035 PWs) bands (ev): -14.0358 -14.0356 -13.6778 -13.6766 -11.7729 -11.7724 -9.8127 -9.8093 -9.7386 -9.7314 -9.5025 -9.4877 -4.7574 -4.7531 -3.9088 -3.8957 -3.5559 -3.5404 -1.3574 -1.3243 -0.9121 -0.8906 -0.5258 -0.5054 -0.4306 -0.3915 -0.2707 -0.2666 1.4799 1.4828 1.6102 1.6337 2.1576 2.1603 2.2133 2.2331 2.8287 2.8343 3.0354 3.0400 3.0670 3.0705 3.6834 3.6837 3.8695 3.8700 4.1744 4.1763 8.1461 8.1472 9.2851 9.3202 10.8544 10.8628 10.9859 10.9927 11.4803 11.4855 k =-0.2500 0.1545 0.0000 ( 5031 PWs) bands (ev): -14.0196 -14.0193 -13.6786 -13.6775 -11.8086 -11.8081 -9.8106 -9.8072 -9.7348 -9.7272 -9.5042 -9.4890 -4.7751 -4.7707 -3.8385 -3.8248 -3.5096 -3.4936 -1.3717 -1.3369 -0.9336 -0.9111 -0.5128 -0.4707 -0.4691 -0.4436 -0.3076 -0.3054 1.5208 1.5232 1.6339 1.6585 2.1556 2.1594 2.1625 2.1828 2.7776 2.7835 3.0216 3.0263 3.0585 3.0622 3.6715 3.6719 3.8957 3.8962 4.1827 4.1846 8.2185 8.2196 9.3021 9.3379 10.8862 10.8957 10.9738 10.9827 11.4441 11.4498 k =-0.2647 0.1636 0.0000 ( 5025 PWs) bands (ev): -14.0030 -14.0027 -13.6795 -13.6783 -11.8444 -11.8440 -9.8086 -9.8053 -9.7307 -9.7227 -9.5063 -9.4908 -4.7913 -4.7869 -3.7660 -3.7516 -3.4638 -3.4474 -1.3858 -1.3494 -0.9549 -0.9315 -0.5537 -0.5027 -0.4671 -0.4371 -0.3417 -0.3278 1.5632 1.5647 1.6551 1.6803 2.1106 2.1337 2.1571 2.1598 2.7276 2.7337 3.0047 3.0093 3.0498 3.0535 3.6578 3.6582 3.9244 3.9249 4.1909 4.1928 8.2899 8.2911 9.3221 9.3584 10.9046 10.9123 10.9745 10.9828 11.4107 11.4169 k =-0.2794 0.1727 0.0000 ( 5017 PWs) bands (ev): -13.9861 -13.9858 -13.6803 -13.6792 -11.8801 -11.8797 -9.8068 -9.8036 -9.7260 -9.7176 -9.5090 -9.4932 -4.8061 -4.8016 -3.6917 -3.6766 -3.4186 -3.4020 -1.3998 -1.3616 -0.9761 -0.9518 -0.6068 -0.5563 -0.4797 -0.4423 -0.3432 -0.3242 1.6061 1.6068 1.6729 1.6971 2.0657 2.0903 2.1565 2.1589 2.6789 2.6852 2.9848 2.9893 3.0409 3.0446 3.6430 3.6435 3.9545 3.9549 4.1990 4.2007 8.3600 8.3611 9.3452 9.3819 10.8958 10.8969 11.0036 11.0067 11.3800 11.3866 k =-0.2941 0.1818 0.0000 ( 5015 PWs) bands (ev): -13.9690 -13.9687 -13.6811 -13.6800 -11.9154 -11.9151 -9.8051 -9.8020 -9.7209 -9.7121 -9.5122 -9.4962 -4.8195 -4.8151 -3.6158 -3.6001 -3.3744 -3.3576 -1.4134 -1.3735 -0.9969 -0.9718 -0.6605 -0.6097 -0.5149 -0.4815 -0.3118 -0.2979 1.6439 1.6515 1.6887 1.7061 2.0291 2.0539 2.1559 2.1582 2.6313 2.6378 2.9621 2.9664 3.0319 3.0355 3.6277 3.6282 3.9851 3.9855 4.2067 4.2085 8.4282 8.4294 9.3713 9.4082 10.8666 10.8696 11.0443 11.0449 11.3520 11.3589 k =-0.3088 0.1909 0.0000 ( 5015 PWs) bands (ev): -13.9519 -13.9516 -13.6819 -13.6808 -11.9500 -11.9497 -9.8035 -9.8007 -9.7154 -9.7062 -9.5159 -9.4998 -4.8316 -4.8273 -3.5389 -3.5226 -3.3311 -3.3143 -1.4267 -1.3851 -1.0170 -0.9913 -0.7135 -0.6621 -0.5612 -0.5311 -0.2714 -0.2616 1.6632 1.6952 1.7060 1.7148 2.0042 2.0273 2.1554 2.1574 2.5850 2.5917 2.9368 2.9409 3.0228 3.0263 3.6123 3.6127 4.0156 4.0159 4.2142 4.2158 8.4942 8.4954 9.4004 9.4374 10.8292 10.8350 11.0882 11.0886 11.3264 11.3336 k =-0.3235 0.1999 0.0000 ( 5023 PWs) bands (ev): -13.9349 -13.9346 -13.6827 -13.6816 -11.9837 -11.9834 -9.8021 -9.7994 -9.7094 -9.6999 -9.5202 -9.5039 -4.8424 -4.8382 -3.4614 -3.4447 -3.2892 -3.2725 -1.4397 -1.3963 -1.0365 -1.0101 -0.7650 -0.7131 -0.6127 -0.5843 -0.2288 -0.2213 1.6585 1.6884 1.7445 1.7554 1.9933 2.0123 2.1549 2.1566 2.5401 2.5470 2.9091 2.9130 3.0137 3.0170 3.5970 3.5974 4.0455 4.0457 4.2213 4.2229 8.5576 8.5588 9.4325 9.4694 10.7869 10.7949 11.1340 11.1348 11.3030 11.3105 k =-0.3382 0.2090 0.0000 ( 5023 PWs) bands (ev): -13.9182 -13.9180 -13.6834 -13.6824 -12.0161 -12.0158 -9.8009 -9.7984 -9.7031 -9.6931 -9.5249 -9.5087 -4.8520 -4.8480 -3.3840 -3.3669 -3.2487 -3.2323 -1.4522 -1.4071 -1.0552 -1.0281 -0.8147 -0.7623 -0.6668 -0.6394 -0.1856 -0.1797 1.6400 1.6630 1.7912 1.8004 1.9948 2.0085 2.1544 2.1559 2.4968 2.5038 2.8793 2.8830 3.0046 3.0077 3.5822 3.5824 4.0743 4.0744 4.2280 4.2295 8.6181 8.6192 9.4675 9.5042 10.7404 10.7505 11.1810 11.1821 11.2819 11.2896 k =-0.3529 0.2181 0.0000 ( 5015 PWs) bands (ev): -13.9020 -13.9018 -13.6840 -13.6831 -12.0470 -12.0467 -9.7998 -9.7975 -9.6963 -9.6860 -9.5302 -9.5139 -4.8604 -4.8567 -3.3072 -3.2898 -3.2100 -3.1940 -1.4642 -1.4175 -1.0728 -1.0452 -0.8622 -0.8093 -0.7222 -0.6953 -0.1429 -0.1380 1.6133 1.6304 1.8384 1.8469 2.0052 2.0137 2.1539 2.1551 2.4552 2.4625 2.8476 2.8511 2.9956 2.9985 3.5679 3.5682 4.1016 4.1017 4.2342 4.2356 8.6751 8.6762 9.5053 9.5416 10.6906 10.7027 11.2281 11.2297 11.2630 11.2711 k =-0.3676 0.2272 0.0000 ( 5015 PWs) bands (ev): -13.8865 -13.8863 -13.6847 -13.6838 -12.0760 -12.0758 -9.7988 -9.7967 -9.6892 -9.6785 -9.5358 -9.5197 -4.8678 -4.8643 -3.2318 -3.2144 -3.1732 -3.1580 -1.4756 -1.4277 -1.0893 -1.0612 -0.9070 -0.8539 -0.7775 -0.7511 -0.1012 -0.0971 1.5821 1.5946 1.8855 1.8936 2.0210 2.0250 2.1536 2.1545 2.4156 2.4230 2.8142 2.8175 2.9868 2.9895 3.5545 3.5547 4.1272 4.1272 4.2400 4.2413 8.7283 8.7294 9.5456 9.5814 10.6381 10.6519 11.2447 11.2504 11.2786 11.2794 k =-0.3824 0.2363 0.0000 ( 5015 PWs) bands (ev): -13.8719 -13.8717 -13.6852 -13.6845 -12.1030 -12.1029 -9.7979 -9.7961 -9.6818 -9.6708 -9.5419 -9.5260 -4.8741 -4.8709 -3.1588 -3.1437 -3.1365 -3.1243 -1.4865 -1.4377 -1.1046 -1.0761 -0.9488 -0.8955 -0.8317 -0.8060 -0.0612 -0.0577 1.5493 1.5582 1.9320 1.9401 2.0399 2.0402 2.1534 2.1538 2.3782 2.3858 2.7794 2.7825 2.9784 2.9809 3.5420 3.5422 4.1506 4.1507 4.2452 4.2464 8.7773 8.7783 9.5884 9.6234 10.5834 10.5989 11.2293 11.2359 11.3256 11.3257 k =-0.3971 0.2454 0.0000 ( 5019 PWs) bands (ev): -13.8583 -13.8581 -13.6857 -13.6851 -12.1277 -12.1275 -9.7972 -9.7956 -9.6742 -9.6629 -9.5483 -9.5327 -4.8795 -4.8767 -3.1081 -3.0964 -3.0862 -3.0709 -1.4965 -1.4477 -1.1186 -1.0900 -0.9871 -0.9339 -0.8833 -0.8589 -0.0236 -0.0206 1.5169 1.5232 1.9771 1.9853 2.0581 2.0606 2.1534 2.1534 2.3432 2.3509 2.7437 2.7466 2.9704 2.9726 3.5307 3.5308 4.1718 4.1719 4.2500 4.2510 8.8218 8.8228 9.6332 9.6672 10.5274 10.5443 11.2154 11.2218 11.3718 11.3719 k =-0.4118 0.2545 0.0000 ( 5012 PWs) bands (ev): -13.8460 -13.8459 -13.6862 -13.6856 -12.1496 -12.1495 -9.7966 -9.7952 -9.6663 -9.6549 -9.5549 -9.5397 -4.8840 -4.8815 -3.0794 -3.0676 -3.0222 -3.0062 -1.5055 -1.4578 -1.1312 -1.1030 -1.0211 -0.9686 -0.9311 -0.9087 0.0111 0.0137 1.4864 1.4908 2.0197 2.0276 2.0783 2.0826 2.1532 2.1539 2.3109 2.3187 2.7074 2.7101 2.9631 2.9650 3.5206 3.5207 4.1905 4.1906 4.2541 4.2550 8.8614 8.8622 9.6796 9.7125 10.4708 10.4890 11.2031 11.2090 11.4161 11.4163 k =-0.4265 0.2636 0.0000 ( 5002 PWs) bands (ev): -13.8352 -13.8351 -13.6865 -13.6860 -12.1687 -12.1686 -9.7960 -9.7948 -9.6584 -9.6470 -9.5617 -9.5470 -4.8877 -4.8856 -3.0542 -3.0439 -2.9624 -2.9475 -1.5132 -1.4681 -1.1423 -1.1159 -1.0497 -0.9994 -0.9733 -0.9541 0.0421 0.0443 1.4589 1.4619 2.0576 2.0637 2.1026 2.1059 2.1539 2.1557 2.2816 2.2893 2.6713 2.6737 2.9565 2.9582 3.5119 3.5120 4.2067 4.2067 4.2577 4.2584 8.8956 8.8963 9.7271 9.7584 10.4147 10.4336 11.1926 11.1978 11.4576 11.4579 k =-0.4412 0.2727 0.0000 ( 4990 PWs) bands (ev): -13.8261 -13.8260 -13.6868 -13.6864 -12.1847 -12.1847 -9.7956 -9.7946 -9.6505 -9.6394 -9.5683 -9.5545 -4.8906 -4.8888 -3.0329 -3.0242 -2.9096 -2.8966 -1.5193 -1.4788 -1.1518 -1.1292 -1.0714 -1.0259 -1.0088 -0.9937 0.0688 0.0705 1.4353 1.4372 2.0886 2.0904 2.1282 2.1295 2.1582 2.1618 2.2553 2.2627 2.6363 2.6385 2.9509 2.9523 3.5047 3.5047 4.2200 4.2201 4.2607 4.2613 8.9242 8.9248 9.7748 9.8038 10.3603 10.3794 11.1839 11.1882 11.4949 11.4955 k =-0.4559 0.2817 0.0000 ( 4990 PWs) bands (ev): -13.8188 -13.8187 -13.6871 -13.6868 -12.1974 -12.1973 -9.7952 -9.7945 -9.6428 -9.6325 -9.5743 -9.5619 -4.8927 -4.8914 -3.0156 -3.0089 -2.8656 -2.8551 -1.5231 -1.4897 -1.1596 -1.1429 -1.0853 -1.0480 -1.0366 -1.0262 0.0904 0.0918 1.4161 1.4173 2.1105 2.1128 2.1406 2.1435 2.1772 2.1788 2.2330 2.2391 2.6040 2.6058 2.9465 2.9475 3.4989 3.4990 4.2305 4.2305 4.2631 4.2635 8.9468 8.9472 9.8210 9.8467 10.3100 10.3282 11.1770 11.1804 11.5269 11.5275 k =-0.4706 0.2908 0.0000 ( 4996 PWs) bands (ev): -13.8135 -13.8134 -13.6872 -13.6870 -12.2066 -12.2065 -9.7949 -9.7944 -9.6357 -9.6271 -9.5789 -9.5690 -4.8942 -4.8933 -3.0026 -2.9981 -2.8321 -2.8246 -1.5243 -1.5003 -1.1654 -1.1554 -1.0919 -1.0656 -1.0563 -1.0504 0.1064 0.1074 1.4021 1.4028 2.1275 2.1323 2.1446 2.1464 2.1947 2.2008 2.2204 2.2208 2.5768 2.5780 2.9432 2.9439 3.4948 3.4948 4.2380 4.2380 4.2648 4.2650 8.9631 8.9634 9.8631 9.8834 10.2674 10.2828 11.1722 11.1746 11.5517 11.5523 k =-0.4853 0.2999 0.0000 ( 4996 PWs) bands (ev): -13.8102 -13.8102 -13.6873 -13.6872 -12.2121 -12.2121 -9.7947 -9.7944 -9.6295 -9.6244 -9.5811 -9.5753 -4.8949 -4.8945 -2.9943 -2.9920 -2.8104 -2.8065 -1.5224 -1.5098 -1.1687 -1.1642 -1.0926 -1.0791 -1.0678 -1.0654 0.1164 0.1168 1.3935 1.3938 2.1410 2.1440 2.1487 2.1501 2.1880 2.1959 2.2272 2.2290 2.5580 2.5587 2.9413 2.9416 3.4923 3.4923 4.2425 4.2425 4.2659 4.2660 8.9731 8.9732 9.8961 9.9080 10.2389 10.2483 11.1695 11.1707 11.5676 11.5680 k =-0.5000 0.3090 0.0000 ( 5000 PWs) bands (ev): -13.8091 -13.8091 -13.6873 -13.6873 -12.2140 -12.2140 -9.7945 -9.7945 -9.6253 -9.6253 -9.5797 -9.5797 -4.8950 -4.8950 -2.9907 -2.9907 -2.8017 -2.8017 -1.5175 -1.5175 -1.1686 -1.1686 -1.0882 -1.0882 -1.0710 -1.0710 0.1199 0.1199 1.3907 1.3907 2.1448 2.1448 2.1552 2.1552 2.1843 2.1843 2.2343 2.2343 2.5514 2.5514 2.9407 2.9407 3.4915 3.4915 4.2440 4.2440 4.2663 4.2663 8.9764 8.9764 9.9129 9.9129 10.2318 10.2318 11.1690 11.1690 11.5733 11.5733 k =-0.5000 0.3090 0.0000 ( 5000 PWs) bands (ev): -13.8091 -13.8091 -13.6873 -13.6873 -12.2140 -12.2140 -9.7945 -9.7945 -9.6253 -9.6253 -9.5797 -9.5797 -4.8950 -4.8950 -2.9907 -2.9907 -2.8017 -2.8017 -1.5175 -1.5175 -1.1686 -1.1686 -1.0882 -1.0882 -1.0710 -1.0710 0.1199 0.1199 1.3907 1.3907 2.1448 2.1448 2.1552 2.1552 2.1843 2.1843 2.2343 2.2343 2.5514 2.5514 2.9407 2.9407 3.4915 3.4915 4.2440 4.2440 4.2663 4.2663 8.9764 8.9764 9.9129 9.9129 10.2318 10.2318 11.1690 11.1690 11.5733 11.5733 k =-0.4909 0.3237-0.0000 ( 4996 PWs) bands (ev): -13.8094 -13.8093 -13.6873 -13.6873 -12.2130 -12.2129 -9.8097 -9.8006 -9.6217 -9.6109 -9.5793 -9.5784 -4.8949 -4.8948 -3.0064 -3.0044 -2.7857 -2.7816 -1.5192 -1.5183 -1.2134 -1.1509 -1.1167 -1.0981 -1.0604 -1.0198 0.1212 0.1216 1.3912 1.3917 2.1373 2.1462 2.1472 2.1591 2.1827 2.1852 2.2245 2.2450 2.5526 2.5550 2.9403 2.9404 3.4925 3.4930 4.2309 4.2359 4.2713 4.2767 8.9787 8.9794 9.9147 9.9159 10.2292 10.2318 11.1677 11.1690 11.5647 11.5769 k =-0.4818 0.3384-0.0000 ( 5002 PWs) bands (ev): -13.8100 -13.8099 -13.6875 -13.6874 -12.2100 -12.2099 -9.8392 -9.8251 -9.6034 -9.5870 -9.5769 -9.5739 -4.8944 -4.8942 -3.0402 -3.0377 -2.7433 -2.7366 -1.5234 -1.5215 -1.2637 -1.1918 -1.1216 -1.1101 -1.0185 -0.9646 0.1255 0.1262 1.3931 1.3942 2.1206 2.1382 2.1461 2.1535 2.1798 2.1861 2.2192 2.2542 2.5585 2.5632 2.9392 2.9394 3.4962 3.4972 4.2109 4.2162 4.2821 4.2884 8.9861 8.9875 9.9211 9.9236 10.2242 10.2294 11.1651 11.1676 11.5519 11.5755 k =-0.4727 0.3531-0.0000 ( 4990 PWs) bands (ev): -13.8110 -13.8108 -13.6877 -13.6877 -12.2050 -12.2048 -9.8763 -9.8603 -9.5835 -9.5751 -9.5668 -9.5514 -4.8936 -4.8933 -3.0799 -3.0776 -2.6874 -2.6790 -1.5301 -1.5271 -1.3148 -1.2432 -1.1285 -1.1252 -0.9674 -0.9088 0.1325 0.1337 1.3965 1.3981 2.0975 2.1294 2.1347 2.1430 2.1785 2.1877 2.2181 2.2607 2.5688 2.5756 2.9375 2.9377 3.5024 3.5039 4.1878 4.1928 4.2909 4.2975 8.9986 9.0007 9.9321 9.9361 10.2166 10.2245 11.1613 11.1650 11.5354 11.5693 k =-0.4636 0.3678-0.0000 ( 4986 PWs) bands (ev): -13.8124 -13.8121 -13.6880 -13.6880 -12.1980 -12.1978 -9.9175 -9.9009 -9.5756 -9.5697 -9.5410 -9.5199 -4.8924 -4.8921 -3.1201 -3.1185 -2.6241 -2.6142 -1.5394 -1.5352 -1.3654 -1.2946 -1.1440 -1.1415 -0.9133 -0.8527 0.1419 0.1435 1.4014 1.4035 2.0698 2.1096 2.1185 2.1334 2.1804 2.1905 2.2176 2.2642 2.5828 2.5914 2.9351 2.9354 3.5112 3.5130 4.1623 4.1670 4.2969 4.3036 9.0161 9.0190 9.9478 9.9533 10.2065 10.2169 11.1562 11.1610 11.5163 11.5588 k =-0.4546 0.3825-0.0000 ( 4994 PWs) bands (ev): -13.8142 -13.8139 -13.6884 -13.6884 -12.1890 -12.1887 -9.9612 -9.9446 -9.5700 -9.5637 -9.5114 -9.4881 -4.8910 -4.8906 -3.1591 -3.1581 -2.5555 -2.5443 -1.5513 -1.5457 -1.4145 -1.3448 -1.1663 -1.1593 -0.8581 -0.7966 0.1533 0.1554 1.4078 1.4104 2.0378 2.0782 2.1057 2.1213 2.1846 2.1946 2.2158 2.2645 2.5999 2.6101 2.9322 2.9326 3.5223 3.5246 4.1348 4.1391 4.2999 4.3065 9.0385 9.0422 9.9681 9.9753 10.1936 10.2067 11.1500 11.1558 11.4954 11.5448 k =-0.4455 0.3972-0.0000 ( 4994 PWs) bands (ev): -13.8164 -13.8161 -13.6889 -13.6888 -12.1780 -12.1776 -10.0065 -9.9902 -9.5637 -9.5567 -9.4819 -9.4573 -4.8892 -4.8888 -3.1959 -3.1956 -2.4829 -2.4703 -1.5660 -1.5585 -1.4616 -1.3933 -1.1919 -1.1811 -0.8026 -0.7407 0.1662 0.1689 1.4156 1.4187 2.0020 2.0421 2.0916 2.1072 2.1900 2.2002 2.2121 2.2617 2.6195 2.6309 2.9289 2.9294 3.5356 3.5384 4.1058 4.1096 4.2998 4.3063 9.0657 9.0702 9.9928 10.0020 10.1780 10.1938 11.1427 11.1493 11.4735 11.5283 k =-0.4364 0.4120-0.0000 ( 4994 PWs) bands (ev): -13.8191 -13.8187 -13.6893 -13.6892 -12.1650 -12.1645 -10.0529 -10.0371 -9.5566 -9.5486 -9.4536 -9.4279 -4.8873 -4.8868 -3.2307 -3.2304 -2.4069 -2.3928 -1.5838 -1.5737 -1.5059 -1.4398 -1.2204 -1.2061 -0.7472 -0.6852 0.1801 0.1833 1.4248 1.4284 1.9625 2.0018 2.0765 2.0921 2.1943 2.2071 2.2080 2.2556 2.6410 2.6535 2.9253 2.9259 3.5511 3.5542 4.0756 4.0788 4.2967 4.3031 9.0976 9.1029 10.0216 10.0335 10.1594 10.1783 11.1345 11.1417 11.4513 11.5100 k =-0.4273 0.4267-0.0000 ( 5000 PWs) bands (ev): -13.8222 -13.8218 -13.6898 -13.6897 -12.1500 -12.1495 -10.1001 -10.0848 -9.5484 -9.5394 -9.4269 -9.4004 -4.8852 -4.8847 -3.2634 -3.2625 -2.3279 -2.3123 -1.6049 -1.5913 -1.5466 -1.4837 -1.2513 -1.2338 -0.6919 -0.6301 0.1946 0.1983 1.4353 1.4395 1.9194 1.9577 2.0611 2.0765 2.1899 2.2109 2.2153 2.2464 2.6638 2.6773 2.9215 2.9221 3.5685 3.5720 4.0445 4.0472 4.2909 4.2970 9.1338 9.1400 10.0536 10.0697 10.1379 10.1610 11.1252 11.1328 11.4292 11.4907 k =-0.4182 0.4414-0.0000 ( 5006 PWs) bands (ev): -13.8258 -13.8254 -13.6903 -13.6901 -12.1331 -12.1325 -10.1478 -10.1330 -9.5392 -9.5293 -9.4022 -9.3749 -4.8830 -4.8824 -3.2938 -3.2924 -2.2463 -2.2290 -1.6298 -1.6112 -1.5829 -1.5248 -1.2841 -1.2637 -0.6371 -0.5755 0.2089 0.2132 1.4473 1.4520 1.8730 1.9102 2.0456 2.0608 2.1781 2.2194 2.2245 2.2342 2.6876 2.7019 2.9176 2.9184 3.5877 3.5915 4.0129 4.0150 4.2823 4.2882 9.1743 9.1813 10.0840 10.1103 10.1135 10.1466 11.1148 11.1227 11.4077 11.4709 k =-0.4091 0.4561-0.0000 ( 5006 PWs) bands (ev): -13.8299 -13.8294 -13.6907 -13.6906 -12.1142 -12.1135 -10.1957 -10.1816 -9.5290 -9.5181 -9.3794 -9.3515 -4.8808 -4.8801 -3.3219 -3.3201 -2.1628 -2.1434 -1.6572 -1.6333 -1.6152 -1.5624 -1.3184 -1.2953 -0.5827 -0.5216 0.2228 0.2276 1.4606 1.4657 1.8234 1.8594 2.0305 2.0455 2.1626 2.2189 2.2296 2.2347 2.7120 2.7270 2.9138 2.9148 3.6085 3.6126 3.9811 3.9826 4.2714 4.2769 9.2187 9.2267 10.0852 10.0896 10.1562 10.1581 11.1033 11.1111 11.3872 11.4511 k =-0.4000 0.4708-0.0000 ( 4998 PWs) bands (ev): -13.8345 -13.8339 -13.6911 -13.6909 -12.0933 -12.0925 -10.2438 -10.2303 -9.5179 -9.5060 -9.3588 -9.3304 -4.8785 -4.8778 -3.3482 -3.3459 -2.0783 -2.0562 -1.6846 -1.6577 -1.6449 -1.5958 -1.3537 -1.3281 -0.5289 -0.4682 0.2356 0.2409 1.4751 1.4808 1.7710 1.8057 2.0161 2.0308 2.1441 2.2009 2.2409 2.2459 2.7365 2.7523 2.9104 2.9116 3.6307 3.6351 3.9493 3.9502 4.2583 4.2634 9.2670 9.2759 10.0541 10.0673 10.1985 10.2063 11.0904 11.0979 11.3679 11.4314 k =-0.3909 0.4855-0.0000 ( 5000 PWs) bands (ev): -13.8395 -13.8390 -13.6914 -13.6912 -12.0705 -12.0696 -10.2919 -10.2789 -9.5059 -9.4929 -9.3404 -9.3115 -4.8764 -4.8757 -3.3728 -3.3701 -1.9950 -1.9686 -1.7084 -1.6844 -1.6735 -1.6237 -1.3895 -1.3617 -0.4756 -0.4156 0.2471 0.2527 1.4909 1.4968 1.7160 1.7494 2.0025 2.0169 2.1229 2.1800 2.2530 2.2577 2.7608 2.7773 2.9078 2.9092 3.6542 3.6588 3.9179 3.9182 4.2434 4.2480 9.3188 9.3287 10.0196 10.0360 10.2487 10.2609 11.0758 11.0827 11.3498 11.4105 k =-0.3818 0.5002-0.0000 ( 5008 PWs) bands (ev): -13.8451 -13.8446 -13.6916 -13.6914 -12.0458 -12.0448 -10.3397 -10.3273 -9.4931 -9.4791 -9.3242 -9.2949 -4.8744 -4.8737 -3.3960 -3.3931 -1.9186 -1.8835 -1.7248 -1.7133 -1.6988 -1.6430 -1.4255 -1.3956 -0.4231 -0.3636 0.2566 0.2626 1.5076 1.5136 1.6592 1.6910 1.9900 2.0041 2.0990 2.1566 2.2657 2.2703 2.7841 2.8014 2.9064 2.9082 3.6786 3.6835 3.8868 3.8870 4.2268 4.2310 9.3740 9.3848 9.9820 10.0000 10.3044 10.3198 11.0590 11.0648 11.3326 11.3781 k =-0.3728 0.5149-0.0000 ( 5020 PWs) bands (ev): -13.8512 -13.8506 -13.6917 -13.6916 -12.0191 -12.0181 -10.3873 -10.3755 -9.4795 -9.4645 -9.3102 -9.2807 -4.8727 -4.8720 -3.4184 -3.4151 -1.8652 -1.8102 -1.7444 -1.7434 -1.6953 -1.6442 -1.4609 -1.4295 -0.3711 -0.3123 0.2639 0.2701 1.5248 1.5294 1.6025 1.6312 1.9787 1.9925 2.0727 2.1306 2.2790 2.2833 2.8055 2.8234 2.9074 2.9094 3.7040 3.7090 3.8561 3.8569 4.2089 4.2126 9.4322 9.4441 9.9411 9.9600 10.3646 10.3830 11.0391 11.0438 11.3118 11.3346 k =-0.3637 0.5296-0.0000 ( 5032 PWs) bands (ev): -13.8578 -13.8572 -13.6917 -13.6916 -11.9906 -11.9895 -10.4344 -10.4231 -9.4651 -9.4491 -9.2984 -9.2686 -4.8713 -4.8706 -3.4400 -3.4365 -1.8492 -1.7780 -1.7718 -1.7694 -1.6419 -1.6066 -1.4944 -1.4629 -0.3198 -0.2617 0.2686 0.2749 1.5226 1.5371 1.5678 1.5758 1.9688 1.9822 2.0441 2.1022 2.2927 2.2968 2.8236 2.8414 2.9127 2.9144 3.7299 3.7351 3.8265 3.8277 4.1900 4.1931 9.4933 9.5062 9.8971 9.9165 10.4288 10.4501 11.0155 11.0187 11.2756 11.2910 k =-0.3546 0.5443-0.0000 ( 5034 PWs) bands (ev): -13.8649 -13.8643 -13.6917 -13.6916 -11.9602 -11.9590 -10.4810 -10.4702 -9.4502 -9.4332 -9.2888 -9.2589 -4.8704 -4.8696 -3.4614 -3.4577 -1.8570 -1.8136 -1.7995 -1.7607 -1.5722 -1.5307 -1.5159 -1.4954 -0.2690 -0.2117 0.2703 0.2765 1.4683 1.4980 1.5715 1.5803 1.9605 1.9733 2.0137 2.0716 2.3066 2.3104 2.8369 2.8536 2.9243 2.9244 3.7563 3.7616 3.7979 3.7996 4.1703 4.1730 9.5570 9.5710 9.8501 9.8696 10.4966 10.5209 10.9872 10.9887 11.2343 11.2498 k =-0.3455 0.5590-0.0000 ( 5026 PWs) bands (ev): -13.8725 -13.8718 -13.6915 -13.6914 -11.9280 -11.9266 -10.5269 -10.5167 -9.4347 -9.4167 -9.2812 -9.2512 -4.8699 -4.8691 -3.4829 -3.4789 -1.8790 -1.8517 -1.8196 -1.7618 -1.5730 -1.5267 -1.4551 -1.4387 -0.2188 -0.1623 0.2687 0.2748 1.4062 1.4357 1.5906 1.6006 1.9540 1.9645 1.9827 2.0388 2.3207 2.3242 2.8453 2.8600 2.9399 2.9420 3.7702 3.7725 3.7833 3.7885 4.1502 4.1524 9.6230 9.6381 9.8003 9.8195 10.5674 10.5952 10.9533 10.9534 11.1956 11.2121 k =-0.3455 0.5590-0.0000 ( 5026 PWs) bands (ev): -13.8725 -13.8718 -13.6915 -13.6914 -11.9280 -11.9266 -10.5269 -10.5167 -9.4347 -9.4167 -9.2812 -9.2512 -4.8699 -4.8691 -3.4829 -3.4789 -1.8790 -1.8517 -1.8196 -1.7618 -1.5730 -1.5267 -1.4551 -1.4387 -0.2188 -0.1623 0.2687 0.2748 1.4062 1.4357 1.5906 1.6006 1.9540 1.9645 1.9827 2.0388 2.3207 2.3242 2.8453 2.8600 2.9399 2.9420 3.7702 3.7725 3.7833 3.7885 4.1502 4.1524 9.6230 9.6381 9.8003 9.8195 10.5674 10.5952 10.9533 10.9534 11.1956 11.2121 k =-0.3455 0.5590 0.0173 ( 5034 PWs) bands (ev): -13.8723 -13.8717 -13.6916 -13.6915 -11.9269 -11.9256 -10.5263 -10.5161 -9.4376 -9.4197 -9.2823 -9.2523 -4.8664 -4.8657 -3.4841 -3.4800 -1.8789 -1.8531 -1.8168 -1.7577 -1.5715 -1.5249 -1.4602 -1.4444 -0.2139 -0.1579 0.2694 0.2755 1.4034 1.4323 1.5902 1.6002 1.9532 1.9638 1.9831 2.0387 2.3222 2.3257 2.8433 2.8577 2.9423 2.9446 3.7699 3.7721 3.7834 3.7885 4.1495 4.1517 9.6214 9.6362 9.7983 9.8175 10.5680 10.5959 10.9317 10.9322 11.2154 11.2316 k =-0.3455 0.5590 0.0346 ( 5032 PWs) bands (ev): -13.8718 -13.8712 -13.6918 -13.6917 -11.9238 -11.9224 -10.5246 -10.5144 -9.4462 -9.4284 -9.2855 -9.2557 -4.8561 -4.8555 -3.4875 -3.4834 -1.8798 -1.8573 -1.8073 -1.7455 -1.5674 -1.5194 -1.4746 -1.4610 -0.1995 -0.1449 0.2715 0.2776 1.3952 1.4222 1.5892 1.5990 1.9509 1.9617 1.9844 2.0382 2.3268 2.3301 2.8379 2.8515 2.9488 2.9518 3.7690 3.7711 3.7836 3.7887 4.1475 4.1497 9.6171 9.6308 9.7922 9.8115 10.5698 10.5981 10.8804 10.8817 11.2607 11.2771 k =-0.3455 0.5590 0.0519 ( 5028 PWs) bands (ev): -13.8710 -13.8704 -13.6921 -13.6920 -11.9185 -11.9171 -10.5216 -10.5116 -9.4605 -9.4429 -9.2908 -9.2613 -4.8390 -4.8387 -3.4931 -3.4889 -1.8834 -1.8644 -1.7900 -1.7262 -1.5624 -1.5110 -1.4953 -1.4862 -0.1766 -0.1242 0.2749 0.2812 1.3817 1.4059 1.5874 1.5971 1.9473 1.9580 1.9864 2.0371 2.3342 2.3373 2.8301 2.8429 2.9584 2.9620 3.7674 3.7695 3.7840 3.7890 4.1442 4.1463 9.6103 9.6225 9.7822 9.8014 10.5728 10.6018 10.8169 10.8183 11.3133 11.3322 k =-0.3455 0.5590 0.0692 ( 5022 PWs) bands (ev): -13.8699 -13.8692 -13.6926 -13.6925 -11.9111 -11.9098 -10.5176 -10.5076 -9.4802 -9.4629 -9.2982 -9.2690 -4.8154 -4.8153 -3.5004 -3.4961 -1.8906 -1.8742 -1.7653 -1.7020 -1.5650 -1.5214 -1.5121 -1.4951 -0.1466 -0.0969 0.2797 0.2863 1.3632 1.3839 1.5849 1.5943 1.9428 1.9532 1.9885 2.0350 2.3443 2.3470 2.8212 2.8331 2.9700 2.9740 3.7652 3.7672 3.7843 3.7894 4.1395 4.1416 9.6020 9.6120 9.7681 9.7874 10.5765 10.6067 10.7496 10.7504 11.3641 11.3887 k =-0.3455 0.5590 0.0865 ( 5020 PWs) bands (ev): -13.8684 -13.8678 -13.6932 -13.6931 -11.9016 -11.9003 -10.5123 -10.5024 -9.5052 -9.4883 -9.3077 -9.2789 -4.7859 -4.7854 -3.5091 -3.5047 -1.9015 -1.8867 -1.7369 -1.6805 -1.5864 -1.5503 -1.5089 -1.4793 -0.1111 -0.0645 0.2859 0.2927 1.3402 1.3569 1.5815 1.5906 1.9376 1.9474 1.9902 2.0317 2.3567 2.3591 2.8117 2.8229 2.9829 2.9872 3.7623 3.7642 3.7847 3.7896 4.1334 4.1355 9.5929 9.6005 9.7502 9.7693 10.5795 10.6124 10.6822 10.6836 11.4132 11.4426 k =-0.3455 0.5590 0.1038 ( 5012 PWs) bands (ev): -13.8667 -13.8660 -13.6940 -13.6939 -11.8900 -11.8888 -10.5059 -10.4961 -9.5352 -9.5187 -9.3192 -9.2909 -4.7504 -4.7494 -3.5186 -3.5142 -1.9155 -1.9020 -1.7188 -1.6834 -1.6059 -1.5547 -1.4923 -1.4592 -0.0717 -0.0283 0.2935 0.3006 1.3132 1.3255 1.5773 1.5860 1.9322 1.9413 1.9907 2.0266 2.3711 2.3731 2.8021 2.8127 2.9966 3.0010 3.7589 3.7607 3.7848 3.7895 4.1261 4.1281 9.5841 9.5889 9.7283 9.7473 10.5721 10.6034 10.6306 10.6313 11.4638 11.4921 k =-0.3455 0.5590 0.1211 ( 5009 PWs) bands (ev): -13.8646 -13.8640 -13.6949 -13.6948 -11.8763 -11.8751 -10.4983 -10.4887 -9.5698 -9.5538 -9.3326 -9.3049 -4.7095 -4.7079 -3.5286 -3.5241 -1.9326 -1.9200 -1.7377 -1.7213 -1.5895 -1.5229 -1.4692 -1.4353 -0.0297 0.0103 0.3024 0.3100 1.2825 1.2905 1.5721 1.5804 1.9268 1.9351 1.9894 2.0193 2.3874 2.3890 2.7927 2.8027 3.0108 3.0152 3.7550 3.7565 3.7845 3.7892 4.1173 4.1192 9.5766 9.5785 9.7028 9.7214 10.5295 10.5440 10.6170 10.6349 11.5139 11.5357 k =-0.3455 0.5590 0.1383 ( 5015 PWs) bands (ev): -13.8623 -13.8616 -13.6959 -13.6958 -11.8605 -11.8594 -10.4895 -10.4802 -9.6088 -9.5932 -9.3480 -9.3209 -4.6634 -4.6612 -3.5385 -3.5341 -1.9526 -1.9406 -1.7849 -1.7760 -1.5439 -1.4722 -1.4410 -1.4078 0.0135 0.0503 0.3128 0.3208 1.2486 1.2524 1.5659 1.5737 1.9217 1.9293 1.9857 2.0093 2.4051 2.4064 2.7837 2.7932 3.0252 3.0295 3.7505 3.7518 3.7838 3.7882 4.1072 4.1090 9.5702 9.5713 9.6738 9.6918 10.4721 10.4826 10.6231 10.6456 11.5567 11.5719 k =-0.3455 0.5590 0.1556 ( 5017 PWs) bands (ev): -13.8596 -13.8590 -13.6971 -13.6970 -11.8427 -11.8417 -10.4796 -10.4705 -9.6517 -9.6367 -9.3651 -9.3388 -4.6125 -4.6097 -3.5479 -3.5436 -1.9754 -1.9639 -1.8428 -1.8379 -1.4867 -1.4120 -1.4076 -1.3767 0.0570 0.0905 0.3245 0.3331 1.2117 1.2119 1.5587 1.5660 1.9171 1.9239 1.9791 1.9965 2.4242 2.4252 2.7754 2.7843 3.0398 3.0439 3.7457 3.7467 3.7823 3.7866 4.0959 4.0975 9.5651 9.5688 9.6418 9.6588 10.4160 10.4252 10.6340 10.6581 11.5881 11.5991 k =-0.3455 0.5590 0.1729 ( 5017 PWs) bands (ev): -13.8567 -13.8561 -13.6984 -13.6984 -11.8228 -11.8218 -10.4685 -10.4597 -9.6982 -9.6838 -9.3840 -9.3584 -4.5574 -4.5538 -3.5564 -3.5523 -2.0010 -1.9899 -1.9054 -1.9036 -1.4250 -1.3676 -1.3467 -1.3409 0.0999 0.1301 0.3376 0.3468 1.1689 1.1728 1.5505 1.5573 1.9129 1.9189 1.9694 1.9806 2.4444 2.4451 2.7677 2.7761 3.0545 3.0583 3.7404 3.7411 3.7800 3.7840 4.0832 4.0847 9.5638 9.5690 9.6084 9.6229 10.3640 10.3726 10.6471 10.6722 11.6084 11.6166 k =-0.3455 0.5590 0.1902 ( 5014 PWs) bands (ev): -13.8536 -13.8529 -13.6999 -13.6999 -11.8008 -11.8000 -10.4563 -10.4477 -9.7479 -9.7341 -9.4045 -9.3798 -4.4984 -4.4941 -3.5636 -3.5597 -2.0300 -2.0186 -1.9715 -1.9703 -1.3656 -1.3164 -1.3045 -1.2734 0.1414 0.1685 0.3521 0.3619 1.1243 1.1317 1.5414 1.5477 1.9087 1.9143 1.9564 1.9617 2.4657 2.4661 2.7609 2.7688 3.0690 3.0725 3.7349 3.7353 3.7765 3.7804 4.0694 4.0707 9.5606 9.5667 9.5851 9.5861 10.3169 10.3251 10.6619 10.6877 11.6177 11.6239 k =-0.3455 0.5590 0.2075 ( 5011 PWs) bands (ev): -13.8502 -13.8495 -13.7016 -13.7016 -11.7768 -11.7761 -10.4429 -10.4346 -9.8005 -9.7873 -9.4265 -9.4028 -4.4360 -4.4310 -3.5692 -3.5657 -2.0648 -2.0518 -2.0389 -2.0337 -1.3129 -1.2629 -1.2506 -1.1978 0.1810 0.2050 0.3679 0.3785 1.0781 1.0887 1.5316 1.5375 1.9034 1.9091 1.9407 1.9407 2.4877 2.4879 2.7550 2.7623 3.0834 3.0866 3.7292 3.7293 3.7719 3.7755 4.0544 4.0554 9.5272 9.5444 9.5761 9.5926 10.2749 10.2829 10.6779 10.7043 11.6163 11.6209 k =-0.3455 0.5590 0.2248 ( 5013 PWs) bands (ev): -13.8466 -13.8459 -13.7034 -13.7034 -11.7507 -11.7501 -10.4284 -10.4205 -9.8556 -9.8430 -9.4500 -9.4273 -4.3706 -4.3649 -3.5730 -3.5698 -2.1171 -2.1132 -2.0831 -2.0814 -1.2630 -1.2181 -1.1751 -1.1189 0.2182 0.2392 0.3852 0.3966 1.0308 1.0442 1.5213 1.5268 1.8921 1.9004 1.9219 1.9248 2.5103 2.5104 2.7501 2.7569 3.0976 3.1004 3.7230 3.7236 3.7658 3.7692 4.0385 4.0392 9.4896 9.5045 9.5899 9.6085 10.2379 10.2456 10.6950 10.7219 11.6041 11.6079 k =-0.3455 0.5590 0.2421 ( 5011 PWs) bands (ev): -13.8427 -13.8421 -13.7054 -13.7053 -11.7227 -11.7222 -10.4127 -10.4052 -9.9129 -9.9009 -9.4749 -9.4531 -4.3026 -4.2963 -3.5747 -3.5720 -2.1835 -2.1831 -2.1218 -2.1178 -1.2119 -1.1700 -1.0947 -1.0374 0.2525 0.2707 0.4039 0.4161 0.9823 0.9982 1.5109 1.5160 1.8681 1.8819 1.9118 1.9144 2.5332 2.5336 2.7462 2.7525 3.1115 3.1140 3.7169 3.7179 3.7582 3.7614 4.0216 4.0220 9.4523 9.4652 9.6095 9.6307 10.2054 10.2130 10.7129 10.7403 11.5813 11.5850 k =-0.3455 0.5590 0.2594 ( 5007 PWs) bands (ev): -13.8387 -13.8381 -13.7075 -13.7074 -11.6927 -11.6923 -10.3959 -10.3888 -9.9720 -9.9606 -9.5010 -9.4802 -4.2325 -4.2255 -3.5742 -3.5719 -2.2541 -2.2517 -2.1605 -2.1563 -1.1585 -1.1187 -1.0111 -0.9539 0.2838 0.2991 0.4239 0.4371 0.9330 0.9510 1.5007 1.5053 1.8350 1.8546 1.9063 1.9085 2.5563 2.5570 2.7436 2.7493 3.1252 3.1273 3.7110 3.7124 3.7490 3.7519 4.0040 4.0040 9.4168 9.4276 9.6351 9.6587 10.1769 10.1843 10.7313 10.7592 11.5474 11.5523 k =-0.3455 0.5590 0.2767 ( 5006 PWs) bands (ev): -13.8345 -13.8339 -13.7098 -13.7097 -11.6607 -11.6605 -10.3781 -10.3714 -10.0326 -10.0218 -9.5282 -9.5085 -4.1605 -4.1529 -3.5712 -3.5695 -2.3244 -2.3206 -2.2009 -2.1970 -1.1022 -1.0643 -0.9257 -0.8689 0.3116 0.3242 0.4453 0.4594 0.8830 0.9026 1.4910 1.4953 1.7967 1.8216 1.9014 1.9034 2.5793 2.5804 2.7423 2.7475 3.1387 3.1405 3.7053 3.7073 3.7380 3.7406 3.9854 3.9858 9.3842 9.3929 9.6665 9.6924 10.1516 10.1590 10.7498 10.7783 11.5017 11.5092 k =-0.3455 0.5590 0.2940 ( 5016 PWs) bands (ev): -13.8302 -13.8296 -13.7123 -13.7122 -11.6267 -11.6267 -10.3591 -10.3528 -10.0944 -10.0843 -9.5564 -9.5378 -4.0871 -4.0790 -3.5657 -3.5646 -2.3941 -2.3893 -2.2434 -2.2400 -1.0430 -1.0070 -0.8390 -0.7831 0.3359 0.3458 0.4681 0.4831 0.8324 0.8531 1.4823 1.4863 1.7542 1.7841 1.8958 1.8977 2.6019 2.6035 2.7423 2.7470 3.1520 3.1536 3.7001 3.7026 3.7253 3.7276 3.9663 3.9671 9.3556 9.3621 9.7037 9.7318 10.1288 10.1363 10.7680 10.7973 11.4447 11.4555 k =-0.3455 0.5590 0.3113 ( 5012 PWs) bands (ev): -13.8257 -13.8251 -13.7149 -13.7148 -11.5910 -11.5909 -10.3390 -10.3333 -10.1572 -10.1476 -9.5855 -9.5680 -4.0125 -4.0040 -3.5576 -3.5570 -2.4629 -2.4573 -2.2880 -2.2853 -0.9810 -0.9469 -0.7518 -0.6970 0.3563 0.3636 0.4922 0.5078 0.7815 0.8027 1.4749 1.4786 1.7081 1.7426 1.8888 1.8907 2.6238 2.6258 2.7438 2.7479 3.1652 3.1666 3.6954 3.6984 3.7108 3.7128 3.9468 3.9481 9.3319 9.3361 9.7465 9.7766 10.1075 10.1152 10.7853 10.8155 11.3789 11.3924 k =-0.3455 0.5590 0.3286 ( 5017 PWs) bands (ev): -13.8211 -13.8205 -13.7177 -13.7175 -11.5534 -11.5531 -10.3179 -10.3127 -10.2207 -10.2117 -9.6153 -9.5990 -3.9372 -3.9282 -3.5468 -3.5467 -2.5307 -2.5245 -2.3347 -2.3327 -0.9163 -0.8842 -0.6646 -0.6111 0.3726 0.3774 0.5173 0.5327 0.7312 0.7515 1.4693 1.4726 1.6588 1.6976 1.8799 1.8819 2.6444 2.6470 2.7469 2.7504 3.1785 3.1798 3.6910 3.6933 3.6963 3.6966 3.9272 3.9290 9.3137 9.3157 9.7945 9.8265 10.0868 10.0948 10.8012 10.8324 11.3086 11.3234 k =-0.3455 0.5590 0.3459 ( 5016 PWs) bands (ev): -13.8164 -13.8158 -13.7206 -13.7205 -11.5140 -11.5135 -10.2964 -10.2927 -10.2831 -10.2756 -9.6459 -9.6306 -3.8613 -3.8520 -3.5339 -3.5332 -2.5973 -2.5905 -2.3835 -2.3823 -0.8490 -0.8192 -0.5781 -0.5261 0.3848 0.3872 0.5426 0.5553 0.6842 0.7004 1.4658 1.4686 1.6069 1.6493 1.8690 1.8711 2.6634 2.6667 2.7515 2.7544 3.1920 3.1933 3.6763 3.6772 3.6889 3.6927 3.9077 3.9098 9.3014 9.3017 9.8475 9.8812 10.0654 10.0740 10.8147 10.8473 11.2379 11.2527 k =-0.3455 0.5590 0.3632 ( 5025 PWs) bands (ev): -13.8116 -13.8110 -13.7238 -13.7236 -11.4727 -11.4720 -10.3493 -10.3414 -10.2721 -10.2681 -9.6770 -9.6628 -3.7851 -3.7756 -3.5182 -3.5169 -2.6624 -2.6552 -2.4343 -2.4339 -0.7794 -0.7519 -0.4928 -0.4424 0.3925 0.3927 0.5634 0.5643 0.6525 0.6532 1.4648 1.4667 1.5528 1.5981 1.8557 1.8581 2.6806 2.6844 2.7577 2.7598 3.2060 3.2074 3.6568 3.6574 3.6866 3.6910 3.8882 3.8909 9.2937 9.2963 9.9049 9.9401 10.0422 10.0516 10.8248 10.8592 11.1703 11.1838 k =-0.3455 0.5590 0.3804 ( 5025 PWs) bands (ev): -13.8068 -13.8062 -13.7271 -13.7268 -11.4297 -11.4288 -10.4135 -10.4061 -10.2480 -10.2446 -9.7085 -9.6955 -3.7089 -3.6992 -3.4998 -3.4978 -2.7260 -2.7185 -2.4875 -2.4871 -0.7077 -0.6828 -0.4092 -0.3606 0.3937 0.3956 0.5358 0.5589 0.6334 0.6576 1.4656 1.4665 1.4990 1.5447 1.8400 1.8426 2.6958 2.7000 2.7650 2.7661 3.2207 3.2223 3.6358 3.6360 3.6855 3.6902 3.8691 3.8722 9.2931 9.2978 9.9658 10.0026 10.0163 10.0265 10.8305 10.8671 11.1086 11.1199 k =-0.3455 0.5590 0.3977 ( 5025 PWs) bands (ev): -13.8019 -13.8013 -13.7305 -13.7303 -11.3849 -11.3837 -10.4777 -10.4708 -10.2229 -10.2201 -9.7404 -9.7285 -3.6329 -3.6231 -3.4785 -3.4759 -2.7879 -2.7803 -2.5430 -2.5418 -0.6342 -0.6122 -0.3279 -0.2813 0.3900 0.3933 0.4878 0.5139 0.6535 0.6844 1.4342 1.4703 1.4770 1.4905 1.8218 1.8248 2.7091 2.7137 2.7729 2.7729 3.2363 3.2382 3.6132 3.6135 3.6855 3.6906 3.8505 3.8540 9.2996 9.3064 9.9839 9.9967 10.0325 10.0690 10.8306 10.8698 11.0553 11.0633 k =-0.3455 0.5590 0.4150 ( 5031 PWs) bands (ev): -13.7970 -13.7964 -13.7341 -13.7339 -11.3384 -11.3370 -10.5416 -10.5352 -10.1968 -10.1947 -9.7724 -9.7616 -3.5573 -3.5474 -3.4544 -3.4512 -2.8481 -2.8403 -2.6003 -2.5984 -0.5592 -0.5402 -0.2495 -0.2049 0.3811 0.3838 0.4358 0.4580 0.6850 0.7184 1.3774 1.4314 1.4806 1.4828 1.8013 1.8045 2.7210 2.7258 2.7794 2.7805 3.2531 3.2553 3.5893 3.5901 3.6867 3.6921 3.8325 3.8364 9.3133 9.3221 9.9487 9.9623 10.0994 10.1374 10.8240 10.8662 11.0117 11.0160 k =-0.3455 0.5590 0.4323 ( 5033 PWs) bands (ev): -13.7921 -13.7915 -13.7379 -13.7376 -11.2903 -11.2886 -10.6050 -10.5991 -10.1698 -10.1684 -9.8046 -9.7949 -3.4823 -3.4725 -3.4273 -3.4237 -2.9063 -2.8985 -2.6594 -2.6567 -0.4831 -0.4673 -0.1743 -0.1318 0.3556 0.3649 0.3946 0.4008 0.7205 0.7562 1.3189 1.3739 1.4917 1.4932 1.7786 1.7820 2.7317 2.7367 2.7849 2.7871 3.2713 3.2738 3.5644 3.5657 3.6891 3.6948 3.8151 3.8194 9.3341 9.3449 9.9075 9.9224 10.1689 10.2077 10.8106 10.8554 10.9785 10.9792 k =-0.3455 0.5590 0.4496 ( 5022 PWs) bands (ev): -13.7871 -13.7866 -13.7418 -13.7415 -11.2405 -11.2385 -10.6679 -10.6624 -10.1419 -10.1413 -9.8368 -9.8282 -3.4101 -3.4005 -3.3955 -3.3913 -2.9625 -2.9548 -2.7202 -2.7167 -0.4061 -0.3937 -0.1030 -0.0627 0.3023 0.3253 0.3595 0.3714 0.7587 0.7968 1.2604 1.3158 1.5063 1.5071 1.7541 1.7576 2.7416 2.7469 2.7889 2.7920 3.2908 3.2936 3.5389 3.5406 3.6928 3.6987 3.7985 3.8032 9.3619 9.3743 9.8609 9.8770 10.2396 10.2791 10.7901 10.8364 10.9534 10.9553 k =-0.3455 0.5590 0.4669 ( 5019 PWs) bands (ev): -13.7823 -13.7818 -13.7458 -13.7455 -11.1891 -11.1869 -10.7301 -10.7250 -10.1134 -10.1132 -9.8690 -9.8614 -3.3673 -3.3617 -3.3324 -3.3237 -3.0166 -3.0091 -2.7827 -2.7784 -0.3287 -0.3199 -0.0360 0.0022 0.2411 0.2635 0.3333 0.3491 0.7993 0.8398 1.2024 1.2578 1.5241 1.5242 1.7279 1.7315 2.7509 2.7564 2.7909 2.7950 3.3118 3.3149 3.5128 3.5150 3.6978 3.7038 3.7829 3.7879 9.3961 9.4102 9.8097 9.8268 10.3107 10.3507 10.7627 10.8088 10.9387 10.9415 k =-0.3455 0.5590 0.4842 ( 5015 PWs) bands (ev): -13.7774 -13.7769 -13.7500 -13.7497 -11.1363 -11.1338 -10.7914 -10.7868 -10.0848 -10.0837 -9.9010 -9.8944 -3.3319 -3.3261 -3.2603 -3.2515 -3.0684 -3.0612 -2.8467 -2.8417 -0.2514 -0.2463 0.0257 0.0623 0.1771 0.1975 0.3048 0.3230 0.8422 0.8853 1.1455 1.2002 1.5441 1.5448 1.7007 1.7042 2.7595 2.7652 2.7911 2.7958 3.3341 3.3375 3.4864 3.4890 3.7041 3.7101 3.7682 3.7735 9.4364 9.4518 9.7551 9.7729 10.3811 10.4216 10.7276 10.7728 10.9344 10.9372 k =-0.3455 0.5590 0.5015 ( 5018 PWs) bands (ev): -13.7726 -13.7722 -13.7543 -13.7539 -11.0820 -11.0792 -10.8518 -10.8476 -10.0554 -10.0536 -9.9327 -9.9271 -3.2943 -3.2881 -3.1895 -3.1804 -3.1172 -3.1108 -2.9122 -2.9065 -0.1745 -0.1730 0.0761 0.1033 0.1252 0.1355 0.2718 0.2923 0.8874 0.9329 1.0900 1.1436 1.5666 1.5681 1.6728 1.6762 2.7675 2.7733 2.7893 2.7946 3.3577 3.3611 3.4599 3.4629 3.7117 3.7177 3.7546 3.7601 9.4819 9.4984 9.6985 9.7167 10.4499 10.4909 10.6848 10.7287 10.9395 10.9419 k =-0.3455 0.5590 0.5188 ( 5013 PWs) bands (ev): -13.7679 -13.7675 -13.7587 -13.7583 -11.0263 -11.0232 -10.9112 -10.9073 -10.0255 -10.0228 -9.9641 -9.9595 -3.2543 -3.2476 -3.1684 -3.1598 -3.1151 -3.1089 -2.9790 -2.9728 -0.1006 -0.0984 0.0404 0.0466 0.1464 0.1705 0.2340 0.2566 0.9349 0.9828 1.0363 1.0883 1.5913 1.5933 1.6449 1.6480 2.7747 2.7806 2.7859 2.7915 3.3823 3.3857 3.4336 3.4368 3.7206 3.7265 3.7421 3.7478 9.5320 9.5494 9.6415 9.6598 10.5159 10.5573 10.6345 10.6774 10.9530 10.9549 k =-0.3455 0.5590 0.5361 ( 5006 PWs) bands (ev): -13.7633 -13.7633 -13.7629 -13.7629 -10.9694 -10.9694 -10.9658 -10.9658 -9.9950 -9.9950 -9.9914 -9.9914 -3.2120 -3.2120 -3.2047 -3.2047 -3.0470 -3.0470 -3.0404 -3.0404 -0.0293 -0.0293 -0.0240 -0.0240 0.1916 0.1916 0.2160 0.2160 0.9845 0.9845 1.0346 1.0346 1.6176 1.6176 1.6202 1.6202 2.7809 2.7809 2.7867 2.7867 3.4076 3.4076 3.4110 3.4110 3.7307 3.7307 3.7366 3.7366 9.5856 9.5856 9.6036 9.6036 10.5778 10.5778 10.6199 10.6199 10.9736 10.9736 k =-0.3455 0.5590 0.5361 ( 5006 PWs) bands (ev): -13.7633 -13.7633 -13.7629 -13.7629 -10.9694 -10.9694 -10.9658 -10.9658 -9.9950 -9.9950 -9.9914 -9.9914 -3.2120 -3.2120 -3.2047 -3.2047 -3.0470 -3.0470 -3.0404 -3.0404 -0.0293 -0.0293 -0.0240 -0.0240 0.1916 0.1916 0.2160 0.2160 0.9845 0.9845 1.0346 1.0346 1.6176 1.6176 1.6202 1.6202 2.7809 2.7809 2.7867 2.7867 3.4076 3.4076 3.4110 3.4110 3.7307 3.7307 3.7366 3.7366 9.5856 9.5856 9.6036 9.6036 10.5778 10.5778 10.6199 10.6199 10.9736 10.9736 k =-0.3546 0.5443 0.5361 ( 5010 PWs) bands (ev): -13.7601 -13.7601 -13.7597 -13.7597 -10.9976 -10.9976 -10.9943 -10.9943 -9.9642 -9.9642 -9.9607 -9.9607 -3.2792 -3.2792 -3.2729 -3.2729 -2.9966 -2.9966 -2.9897 -2.9897 -0.0227 -0.0227 -0.0176 -0.0176 0.1995 0.1995 0.2222 0.2222 0.9922 0.9922 1.0408 1.0408 1.6255 1.6255 1.6283 1.6283 2.7741 2.7741 2.7796 2.7796 3.3833 3.3833 3.3865 3.3865 3.7506 3.7506 3.7564 3.7564 9.5619 9.5619 9.5797 9.5797 10.5784 10.5784 10.6187 10.6187 10.9935 10.9935 k =-0.3637 0.5296 0.5361 ( 5008 PWs) bands (ev): -13.7571 -13.7571 -13.7568 -13.7568 -11.0243 -11.0243 -11.0211 -11.0211 -9.9341 -9.9341 -9.9307 -9.9307 -3.3444 -3.3444 -3.3388 -3.3388 -2.9483 -2.9483 -2.9415 -2.9415 -0.0169 -0.0169 -0.0121 -0.0121 0.2070 0.2070 0.2280 0.2280 0.9999 0.9999 1.0467 1.0467 1.6348 1.6348 1.6376 1.6376 2.7666 2.7666 2.7718 2.7718 3.3600 3.3600 3.3630 3.3630 3.7712 3.7712 3.7768 3.7768 9.5363 9.5363 9.5537 9.5537 10.5775 10.5775 10.6158 10.6158 11.0169 11.0169 k =-0.3728 0.5149 0.5361 ( 5028 PWs) bands (ev): -13.7543 -13.7543 -13.7540 -13.7540 -11.0494 -11.0494 -11.0464 -11.0464 -9.9049 -9.9049 -9.9016 -9.9016 -3.4071 -3.4071 -3.4023 -3.4023 -2.9026 -2.9026 -2.8958 -2.8958 -0.0120 -0.0120 -0.0074 -0.0074 0.2141 0.2141 0.2335 0.2335 1.0074 1.0074 1.0522 1.0522 1.6452 1.6452 1.6481 1.6481 2.7584 2.7584 2.7634 2.7634 3.3378 3.3378 3.3407 3.3407 3.7923 3.7923 3.7977 3.7977 9.5095 9.5095 9.5263 9.5263 10.5756 10.5756 10.6119 10.6119 11.0430 11.0430 k =-0.3818 0.5002 0.5361 ( 5048 PWs) bands (ev): -13.7517 -13.7517 -13.7514 -13.7514 -11.0729 -11.0729 -11.0702 -11.0702 -9.8767 -9.8767 -9.8735 -9.8735 -3.4670 -3.4670 -3.4628 -3.4628 -2.8596 -2.8596 -2.8529 -2.8529 -0.0076 -0.0076 -0.0034 -0.0034 0.2208 0.2208 0.2385 0.2385 1.0146 1.0146 1.0572 1.0572 1.6565 1.6565 1.6594 1.6594 2.7497 2.7497 2.7543 2.7543 3.3169 3.3169 3.3196 3.3196 3.8136 3.8136 3.8187 3.8187 9.4822 9.4822 9.4983 9.4983 10.5734 10.5734 10.6075 10.6075 11.0710 11.0710 k =-0.3909 0.4855 0.5361 ( 5044 PWs) bands (ev): -13.7493 -13.7493 -13.7489 -13.7489 -11.0948 -11.0948 -11.0922 -11.0922 -9.8497 -9.8497 -9.8466 -9.8466 -3.5238 -3.5238 -3.5202 -3.5202 -2.8193 -2.8193 -2.8129 -2.8129 -0.0039 -0.0039 0.0000 0.0000 0.2270 0.2270 0.2432 0.2432 1.0214 1.0214 1.0616 1.0616 1.6684 1.6684 1.6713 1.6713 2.7405 2.7405 2.7448 2.7448 3.2974 3.2974 3.2999 3.2999 3.8348 3.8348 3.8397 3.8397 9.4549 9.4549 9.4702 9.4702 10.5713 10.5713 10.6031 10.6031 11.1003 11.1003 k =-0.4000 0.4708 0.5361 ( 5040 PWs) bands (ev): -13.7470 -13.7470 -13.7467 -13.7467 -11.1150 -11.1150 -11.1127 -11.1127 -9.8240 -9.8240 -9.8212 -9.8212 -3.5773 -3.5773 -3.5742 -3.5742 -2.7819 -2.7819 -2.7757 -2.7757 -0.0006 -0.0006 0.0030 0.0030 0.2329 0.2329 0.2475 0.2475 1.0278 1.0278 1.0653 1.0653 1.6808 1.6808 1.6836 1.6836 2.7310 2.7310 2.7350 2.7350 3.2793 3.2793 3.2817 3.2817 3.8557 3.8557 3.8603 3.8603 9.4282 9.4282 9.4426 9.4426 10.5697 10.5697 10.5992 10.5992 11.1300 11.1300 k =-0.4091 0.4561 0.5361 ( 5046 PWs) bands (ev): -13.7449 -13.7449 -13.7446 -13.7446 -11.1336 -11.1336 -11.1314 -11.1314 -9.7999 -9.7999 -9.7972 -9.7972 -3.6271 -3.6271 -3.6244 -3.6244 -2.7474 -2.7474 -2.7415 -2.7415 0.0023 0.0023 0.0055 0.0055 0.2383 0.2383 0.2514 0.2514 1.0338 1.0338 1.0685 1.0685 1.6933 1.6933 1.6961 1.6961 2.7213 2.7213 2.7250 2.7250 3.2627 3.2627 3.2650 3.2650 3.8760 3.8760 3.8803 3.8803 9.4025 9.4025 9.4158 9.4158 10.5688 10.5688 10.5960 10.5960 11.1595 11.1595 k =-0.4182 0.4414 0.5361 ( 5040 PWs) bands (ev): -13.7430 -13.7430 -13.7428 -13.7428 -11.1504 -11.1504 -11.1484 -11.1484 -9.7775 -9.7775 -9.7750 -9.7750 -3.6731 -3.6731 -3.6708 -3.6708 -2.7159 -2.7159 -2.7104 -2.7104 0.0049 0.0049 0.0077 0.0077 0.2432 0.2432 0.2549 0.2549 1.0393 1.0393 1.0709 1.0709 1.7058 1.7058 1.7085 1.7085 2.7116 2.7116 2.7149 2.7149 3.2477 3.2477 3.2498 3.2498 3.8954 3.8954 3.8993 3.8993 9.3783 9.3783 9.3905 9.3905 10.5689 10.5689 10.5937 10.5937 11.1883 11.1883 k =-0.4273 0.4267 0.5361 ( 5036 PWs) bands (ev): -13.7413 -13.7413 -13.7411 -13.7411 -11.1655 -11.1655 -11.1637 -11.1637 -9.7569 -9.7569 -9.7547 -9.7547 -3.7149 -3.7149 -3.7129 -3.7129 -2.6875 -2.6875 -2.6825 -2.6825 0.0071 0.0071 0.0096 0.0096 0.2477 0.2477 0.2580 0.2580 1.0442 1.0442 1.0728 1.0728 1.7180 1.7180 1.7204 1.7204 2.7021 2.7021 2.7051 2.7051 3.2343 3.2343 3.2361 3.2361 3.9137 3.9137 3.9172 3.9172 9.3558 9.3558 9.3668 9.3668 10.5699 10.5699 10.5922 10.5922 11.2156 11.2156 k =-0.4364 0.4120 0.5361 ( 5040 PWs) bands (ev): -13.7398 -13.7398 -13.7396 -13.7396 -11.1788 -11.1788 -11.1773 -11.1773 -9.7383 -9.7383 -9.7363 -9.7363 -3.7523 -3.7523 -3.7507 -3.7507 -2.6623 -2.6623 -2.6578 -2.6578 0.0091 0.0091 0.0113 0.0113 0.2518 0.2518 0.2607 0.2607 1.0488 1.0488 1.0740 1.0740 1.7295 1.7295 1.7318 1.7318 2.6930 2.6930 2.6956 2.6956 3.2225 3.2225 3.2241 3.2241 3.9305 3.9305 3.9336 3.9336 9.3354 9.3354 9.3451 9.3451 10.5719 10.5719 10.5916 10.5916 11.2411 11.2411 k =-0.4455 0.3972 0.5361 ( 5042 PWs) bands (ev): -13.7385 -13.7385 -13.7383 -13.7383 -11.1904 -11.1904 -11.1890 -11.1890 -9.7219 -9.7219 -9.7201 -9.7201 -3.7852 -3.7852 -3.7839 -3.7839 -2.6402 -2.6402 -2.6363 -2.6363 0.0108 0.0108 0.0126 0.0126 0.2554 0.2554 0.2630 0.2630 1.0528 1.0528 1.0747 1.0747 1.7402 1.7402 1.7422 1.7422 2.6845 2.6845 2.6868 2.6868 3.2122 3.2122 3.2137 3.2137 3.9457 3.9457 3.9484 3.9484 9.3173 9.3173 9.3258 9.3258 10.5746 10.5746 10.5917 10.5917 11.2642 11.2642 k =-0.4546 0.3825 0.5361 ( 5058 PWs) bands (ev): -13.7374 -13.7374 -13.7373 -13.7373 -11.2002 -11.2002 -11.1991 -11.1991 -9.7077 -9.7077 -9.7062 -9.7062 -3.8134 -3.8134 -3.8123 -3.8123 -2.6214 -2.6214 -2.6181 -2.6181 0.0122 0.0122 0.0138 0.0138 0.2586 0.2586 0.2648 0.2648 1.0565 1.0565 1.0749 1.0749 1.7498 1.7498 1.7515 1.7515 2.6769 2.6769 2.6789 2.6789 3.2036 3.2036 3.2048 3.2048 3.9590 3.9590 3.9612 3.9612 9.3018 9.3018 9.3089 9.3089 10.5778 10.5778 10.5923 10.5923 11.2845 11.2845 k =-0.4636 0.3678 0.5361 ( 5050 PWs) bands (ev): -13.7365 -13.7365 -13.7364 -13.7364 -11.2082 -11.2082 -11.2073 -11.2073 -9.6959 -9.6959 -9.6947 -9.6947 -3.8366 -3.8366 -3.8358 -3.8358 -2.6059 -2.6059 -2.6032 -2.6032 0.0134 0.0134 0.0147 0.0147 0.2613 0.2613 0.2662 0.2662 1.0598 1.0598 1.0746 1.0746 1.7580 1.7580 1.7594 1.7594 2.6704 2.6704 2.6720 2.6720 3.1966 3.1966 3.1976 3.1976 3.9701 3.9701 3.9719 3.9719 9.2890 9.2890 9.2947 9.2947 10.5814 10.5814 10.5931 10.5931 11.3018 11.3018 k =-0.4727 0.3531 0.5361 ( 5054 PWs) bands (ev): -13.7358 -13.7358 -13.7357 -13.7357 -11.2144 -11.2144 -11.2137 -11.2137 -9.6866 -9.6866 -9.6857 -9.6857 -3.8548 -3.8548 -3.8542 -3.8542 -2.5938 -2.5938 -2.5917 -2.5917 0.0144 0.0144 0.0153 0.0153 0.2635 0.2635 0.2672 0.2672 1.0628 1.0628 1.0739 1.0739 1.7647 1.7647 1.7658 1.7658 2.6651 2.6651 2.6663 2.6663 3.1912 3.1912 3.1919 3.1919 3.9791 3.9791 3.9804 3.9804 9.2791 9.2791 9.2834 9.2834 10.5849 10.5849 10.5938 10.5938 11.3156 11.3156 k =-0.4818 0.3384 0.5361 ( 5046 PWs) bands (ev): -13.7352 -13.7352 -13.7352 -13.7352 -11.2188 -11.2188 -11.2184 -11.2184 -9.6798 -9.6798 -9.6792 -9.6792 -3.8679 -3.8679 -3.8675 -3.8675 -2.5849 -2.5849 -2.5836 -2.5836 0.0152 0.0152 0.0158 0.0158 0.2653 0.2653 0.2677 0.2677 1.0654 1.0654 1.0729 1.0729 1.7697 1.7697 1.7704 1.7704 2.6613 2.6613 2.6621 2.6621 3.1874 3.1874 3.1879 3.1879 3.9856 3.9856 3.9865 3.9865 9.2721 9.2721 9.2750 9.2750 10.5881 10.5881 10.5940 10.5940 11.3257 11.3257 k =-0.4909 0.3237 0.5361 ( 5050 PWs) bands (ev): -13.7349 -13.7349 -13.7349 -13.7349 -11.2214 -11.2214 -11.2212 -11.2212 -9.6757 -9.6757 -9.6754 -9.6754 -3.8757 -3.8757 -3.8755 -3.8755 -2.5795 -2.5795 -2.5788 -2.5788 0.0157 0.0157 0.0160 0.0160 0.2666 0.2666 0.2678 0.2678 1.0677 1.0677 1.0715 1.0715 1.7728 1.7728 1.7732 1.7732 2.6590 2.6590 2.6594 2.6594 3.1851 3.1851 3.1854 3.1854 3.9897 3.9897 3.9901 3.9901 9.2682 9.2682 9.2697 9.2697 10.5907 10.5907 10.5937 10.5937 11.3320 11.3322 k =-0.5000 0.3090 0.5361 ( 5048 PWs) bands (ev): -13.7348 -13.7348 -13.7348 -13.7348 -11.2222 -11.2222 -11.2222 -11.2222 -9.6742 -9.6742 -9.6742 -9.6742 -3.8783 -3.8783 -3.8783 -3.8783 -2.5775 -2.5775 -2.5775 -2.5775 0.0159 0.0159 0.0159 0.0159 0.2674 0.2674 0.2674 0.2674 1.0697 1.0697 1.0697 1.0697 1.7740 1.7740 1.7740 1.7740 2.6584 2.6584 2.6584 2.6584 3.1845 3.1845 3.1845 3.1845 3.9912 3.9912 3.9912 3.9912 9.2674 9.2674 9.2674 9.2674 10.5926 10.5926 10.5926 10.5926 11.3343 11.3343 k =-0.5000 0.3090 0.5361 ( 5048 PWs) bands (ev): -13.7348 -13.7348 -13.7348 -13.7348 -11.2222 -11.2222 -11.2222 -11.2222 -9.6742 -9.6742 -9.6742 -9.6742 -3.8783 -3.8783 -3.8783 -3.8783 -2.5775 -2.5775 -2.5775 -2.5775 0.0159 0.0159 0.0159 0.0159 0.2674 0.2674 0.2674 0.2674 1.0697 1.0697 1.0697 1.0697 1.7740 1.7740 1.7740 1.7740 2.6584 2.6584 2.6584 2.6584 3.1845 3.1845 3.1845 3.1845 3.9912 3.9912 3.9912 3.9912 9.2674 9.2674 9.2674 9.2674 10.5926 10.5926 10.5926 10.5926 11.3343 11.3343 k =-0.5000 0.3090 0.5188 ( 5050 PWs) bands (ev): -13.7380 -13.7380 -13.7317 -13.7317 -11.2817 -11.2817 -11.1614 -11.1614 -9.6787 -9.6787 -9.6698 -9.6698 -3.8808 -3.8808 -3.8723 -3.8723 -2.6576 -2.6576 -2.5006 -2.5006 -0.0586 -0.0586 0.0909 0.0909 0.2621 0.2621 0.2687 0.2687 1.0271 1.0271 1.1148 1.1148 1.7622 1.7622 1.7846 1.7846 2.6553 2.6553 2.6581 2.6581 3.1608 3.1608 3.2101 3.2101 3.9867 3.9867 3.9966 3.9966 9.2671 9.2671 9.2762 9.2762 10.5874 10.5874 10.5897 10.5897 11.2973 11.2973 k =-0.5000 0.3090 0.5015 ( 5040 PWs) bands (ev): -13.7412 -13.7412 -13.7288 -13.7288 -11.3397 -11.3397 -11.0993 -11.0993 -9.6834 -9.6834 -9.6657 -9.6657 -3.8799 -3.8799 -3.8628 -3.8628 -2.7407 -2.7407 -2.4270 -2.4270 -0.1316 -0.1316 0.1634 0.1634 0.2541 0.2541 0.2657 0.2657 0.9879 0.9879 1.1617 1.1617 1.7492 1.7492 1.7941 1.7941 2.6484 2.6484 2.6549 2.6549 3.1395 3.1395 3.2371 3.2371 3.9834 3.9834 4.0030 4.0030 9.2751 9.2751 9.2936 9.2936 10.5751 10.5751 10.5778 10.5778 11.2616 11.2616 k =-0.5000 0.3090 0.4842 ( 5034 PWs) bands (ev): -13.7444 -13.7444 -13.7258 -13.7258 -11.3962 -11.3962 -11.0361 -11.0361 -9.6883 -9.6883 -9.6618 -9.6618 -3.8755 -3.8755 -3.8500 -3.8500 -2.8268 -2.8268 -2.3568 -2.3568 -0.2026 -0.2026 0.2140 0.2140 0.2517 0.2517 0.2682 0.2682 0.9533 0.9533 1.2100 1.2100 1.7350 1.7350 1.8028 1.8028 2.6374 2.6374 2.6496 2.6496 3.1211 3.1211 3.2648 3.2648 3.9812 3.9812 4.0103 4.0103 9.2911 9.2911 9.3194 9.3194 10.5544 10.5544 10.5586 10.5586 11.2276 11.2276 k =-0.5000 0.3090 0.4669 ( 5030 PWs) bands (ev): -13.7477 -13.7477 -13.7230 -13.7230 -11.4512 -11.4512 -10.9718 -10.9718 -9.6932 -9.6932 -9.6580 -9.6580 -3.8677 -3.8677 -3.8338 -3.8338 -2.9156 -2.9156 -2.2899 -2.2899 -0.2712 -0.2712 0.2079 0.2079 0.2410 0.2410 0.3224 0.3224 0.9255 0.9255 1.2594 1.2594 1.7196 1.7196 1.8107 1.8107 2.6224 2.6224 2.6429 2.6429 3.1055 3.1055 3.2925 3.2925 3.9802 3.9802 4.0184 4.0184 9.3149 9.3149 9.3536 9.3536 10.5225 10.5225 10.5358 10.5358 11.1957 11.1957 k =-0.5000 0.3090 0.4496 ( 5040 PWs) bands (ev): -13.7510 -13.7510 -13.7203 -13.7203 -11.5046 -11.5046 -10.9065 -10.9065 -9.6983 -9.6983 -9.6545 -9.6545 -3.8564 -3.8564 -3.8143 -3.8143 -3.0069 -3.0069 -2.2264 -2.2264 -0.3370 -0.3370 0.1863 0.1863 0.2223 0.2223 0.3829 0.3829 0.9078 0.9078 1.3096 1.3096 1.7030 1.7030 1.8182 1.8182 2.6036 2.6036 2.6353 2.6353 3.0927 3.0927 3.3197 3.3197 3.9805 3.9805 4.0272 4.0272 9.3459 9.3459 9.3958 9.3958 10.4806 10.4806 10.5097 10.5097 11.1662 11.1662 k =-0.5000 0.3090 0.4323 ( 5032 PWs) bands (ev): -13.7544 -13.7544 -13.7177 -13.7177 -11.5563 -11.5563 -10.8403 -10.8403 -9.7035 -9.7035 -9.6513 -9.6513 -3.8419 -3.8419 -3.7915 -3.7915 -3.1003 -3.1003 -2.1663 -2.1663 -0.4000 -0.4000 0.1589 0.1589 0.1980 0.1980 0.4328 0.4328 0.9048 0.9048 1.3603 1.3603 1.6855 1.6855 1.8256 1.8256 2.5818 2.5818 2.6273 2.6273 3.0821 3.0821 3.3461 3.3461 3.9821 3.9821 4.0366 4.0366 9.3835 9.3835 9.4458 9.4458 10.4295 10.4295 10.4808 10.4808 11.1395 11.1395 k =-0.5000 0.3090 0.4150 ( 5030 PWs) bands (ev): -13.7577 -13.7577 -13.7151 -13.7151 -11.6063 -11.6063 -10.7734 -10.7734 -9.7088 -9.7088 -9.6482 -9.6482 -3.8240 -3.8240 -3.7655 -3.7655 -3.1956 -3.1956 -2.1094 -2.1094 -0.4601 -0.4601 0.1268 0.1268 0.1681 0.1681 0.4659 0.4659 0.9213 0.9213 1.4112 1.4112 1.6673 1.6673 1.8331 1.8331 2.5575 2.5575 2.6194 2.6194 3.0734 3.0734 3.3710 3.3710 3.9850 3.9850 4.0466 4.0466 9.4270 9.4270 9.5030 9.5030 10.3704 10.3704 10.4500 10.4500 11.1161 11.1161 k =-0.5000 0.3090 0.3977 ( 5024 PWs) bands (ev): -13.7611 -13.7611 -13.7127 -13.7127 -11.6545 -11.6545 -10.7060 -10.7060 -9.7141 -9.7141 -9.6454 -9.6454 -3.8028 -3.8028 -3.7364 -3.7364 -3.2924 -3.2924 -2.0557 -2.0557 -0.5171 -0.5171 0.0904 0.0904 0.1327 0.1327 0.4800 0.4800 0.9586 0.9586 1.4621 1.4621 1.6486 1.6486 1.8411 1.8411 2.5317 2.5317 2.6117 2.6117 3.0659 3.0659 3.3944 3.3944 3.9893 3.9893 4.0571 4.0571 9.4757 9.4757 9.5670 9.5670 10.3046 10.3046 10.4177 10.4177 11.0965 11.0965 k =-0.5000 0.3090 0.3804 ( 5020 PWs) bands (ev): -13.7644 -13.7644 -13.7104 -13.7104 -11.7009 -11.7009 -10.6381 -10.6381 -9.7195 -9.7195 -9.6428 -9.6428 -3.7786 -3.7786 -3.7043 -3.7043 -3.3903 -3.3903 -2.0052 -2.0052 -0.5711 -0.5711 0.0496 0.0496 0.0920 0.0920 0.4779 0.4779 1.0135 1.0135 1.5126 1.5126 1.6298 1.6298 1.8496 1.8496 2.5049 2.5049 2.6047 2.6047 3.0593 3.0593 3.4159 3.4159 3.9949 3.9949 4.0680 4.0680 9.5287 9.5287 9.6372 9.6372 10.2335 10.2335 10.3845 10.3845 11.0812 11.0812 k =-0.5000 0.3090 0.3632 ( 5012 PWs) bands (ev): -13.7677 -13.7677 -13.7082 -13.7082 -11.7455 -11.7455 -10.5700 -10.5700 -9.7248 -9.7248 -9.6404 -9.6404 -3.7512 -3.7512 -3.6693 -3.6693 -3.4889 -3.4889 -1.9577 -1.9577 -0.6222 -0.6222 0.0047 0.0047 0.0463 0.0463 0.4647 0.4647 1.0805 1.0805 1.5607 1.5607 1.6130 1.6130 1.8591 1.8591 2.4778 2.4778 2.5983 2.5983 3.0531 3.0531 3.4354 3.4354 4.0020 4.0020 4.0792 4.0792 9.5850 9.5850 9.7130 9.7130 10.1583 10.1583 10.3509 10.3509 11.0708 11.0708 k =-0.5000 0.3090 0.3459 ( 5012 PWs) bands (ev): -13.7710 -13.7710 -13.7062 -13.7062 -11.7882 -11.7882 -10.5018 -10.5018 -9.7301 -9.7301 -9.6382 -9.6382 -3.7210 -3.7210 -3.6317 -3.6317 -3.5877 -3.5877 -1.9131 -1.9131 -0.6703 -0.6703 -0.0445 -0.0445 -0.0041 -0.0041 0.4448 0.4448 1.1547 1.1547 1.5819 1.5819 1.6227 1.6227 1.8697 1.8697 2.4510 2.4510 2.5927 2.5927 3.0471 3.0471 3.4527 3.4527 4.0105 4.0105 4.0906 4.0906 9.6435 9.6435 9.7936 9.7936 10.0800 10.0800 10.3171 10.3171 11.0658 11.0658 k =-0.5000 0.3090 0.3286 ( 5012 PWs) bands (ev): -13.7742 -13.7742 -13.7042 -13.7042 -11.8289 -11.8289 -10.4337 -10.4337 -9.7354 -9.7354 -9.6363 -9.6363 -3.6922 -3.6922 -3.6827 -3.6827 -3.5909 -3.5909 -1.8714 -1.8714 -0.7155 -0.7155 -0.0977 -0.0977 -0.0588 -0.0588 0.4212 0.4212 1.2326 1.2326 1.5671 1.5671 1.6681 1.6681 1.8814 1.8814 2.4249 2.4249 2.5877 2.5877 3.0410 3.0410 3.4678 3.4678 4.0203 4.0203 4.1021 4.1021 9.7029 9.7029 9.8783 9.8783 9.9999 9.9999 10.2837 10.2837 11.0669 11.0669 k =-0.5000 0.3090 0.3113 ( 5014 PWs) bands (ev): -13.7773 -13.7773 -13.7024 -13.7024 -11.8678 -11.8678 -10.3660 -10.3660 -9.7406 -9.7406 -9.6345 -9.6345 -3.7855 -3.7855 -3.6518 -3.6518 -3.5481 -3.5481 -1.8324 -1.8324 -0.7579 -0.7579 -0.1550 -0.1550 -0.1172 -0.1172 0.3959 0.3959 1.3119 1.3119 1.5495 1.5495 1.7161 1.7161 1.8943 1.8943 2.3997 2.3997 2.5835 2.5835 3.0347 3.0347 3.4807 3.4807 4.0315 4.0315 4.1137 4.1137 9.7622 9.7622 9.9189 9.9189 9.9663 9.9663 10.2508 10.2508 11.0747 11.0747 k =-0.5000 0.3090 0.2940 ( 5030 PWs) bands (ev): -13.7804 -13.7804 -13.7007 -13.7007 -11.9047 -11.9047 -10.2989 -10.2989 -9.7457 -9.7457 -9.6329 -9.6329 -3.8828 -3.8828 -3.6137 -3.6137 -3.5030 -3.5030 -1.7961 -1.7961 -0.7975 -0.7975 -0.2160 -0.2160 -0.1786 -0.1786 0.3700 0.3700 1.3908 1.3908 1.5325 1.5325 1.7636 1.7636 1.9085 1.9085 2.3757 2.3757 2.5799 2.5799 3.0282 3.0282 3.4915 3.4915 4.0439 4.0439 4.1253 4.1253 9.8176 9.8176 9.8400 9.8400 10.0564 10.0564 10.2191 10.2191 11.0899 11.0899 k =-0.5000 0.3090 0.2767 ( 5030 PWs) bands (ev): -13.7833 -13.7833 -13.6991 -13.6991 -11.9396 -11.9396 -10.2326 -10.2326 -9.7506 -9.7506 -9.6315 -9.6315 -3.9786 -3.9786 -3.5733 -3.5733 -3.4558 -3.4558 -1.7623 -1.7623 -0.8345 -0.8345 -0.2805 -0.2805 -0.2425 -0.2425 0.3442 0.3442 1.4659 1.4659 1.5187 1.5187 1.8100 1.8100 1.9238 1.9238 2.3530 2.3530 2.5768 2.5768 3.0215 3.0215 3.5001 3.5001 4.0575 4.0575 4.1367 4.1367 9.7557 9.7557 9.8765 9.8765 10.1445 10.1445 10.1920 10.1920 11.1129 11.1129 k =-0.5000 0.3090 0.2594 ( 5028 PWs) bands (ev): -13.7862 -13.7862 -13.6976 -13.6976 -11.9725 -11.9725 -10.1676 -10.1676 -9.7554 -9.7554 -9.6302 -9.6302 -4.0724 -4.0724 -3.5308 -3.5308 -3.4068 -3.4068 -1.7310 -1.7310 -0.8689 -0.8689 -0.3481 -0.3481 -0.3084 -0.3084 0.3190 0.3190 1.4935 1.4935 1.5513 1.5513 1.8551 1.8551 1.9402 1.9402 2.3317 2.3317 2.5742 2.5742 3.0145 3.0145 3.5067 3.5067 4.0723 4.0723 4.1479 4.1479 9.6762 9.6762 9.9283 9.9283 10.1532 10.1532 10.2463 10.2463 11.1442 11.1442 k =-0.5000 0.3090 0.2421 ( 5012 PWs) bands (ev): -13.7889 -13.7889 -13.6962 -13.6962 -12.0033 -12.0033 -10.1039 -10.1039 -9.7600 -9.7600 -9.6291 -9.6291 -4.1638 -4.1638 -3.4866 -3.4866 -3.3562 -3.3562 -1.7021 -1.7021 -0.9008 -0.9008 -0.4180 -0.4180 -0.3757 -0.3757 0.2947 0.2947 1.4812 1.4812 1.6220 1.6220 1.8985 1.8985 1.9575 1.9575 2.3119 2.3119 2.5719 2.5719 3.0074 3.0074 3.5114 3.5114 4.0880 4.0880 4.1588 4.1588 9.5984 9.5984 9.9758 9.9758 10.1259 10.1259 10.3380 10.3380 11.1837 11.1837 k =-0.5000 0.3090 0.2248 ( 5008 PWs) bands (ev): -13.7915 -13.7915 -13.6949 -13.6949 -12.0321 -12.0321 -10.0421 -10.0421 -9.7644 -9.7644 -9.6282 -9.6282 -4.2522 -4.2522 -3.4409 -3.4409 -3.3044 -3.3044 -1.6756 -1.6756 -0.9303 -0.9303 -0.4896 -0.4896 -0.4440 -0.4440 0.2717 0.2717 1.4681 1.4681 1.6915 1.6915 1.9400 1.9400 1.9757 1.9757 2.2936 2.2936 2.5699 2.5699 3.0002 3.0002 3.5143 3.5143 4.1044 4.1044 4.1694 4.1694 9.5230 9.5230 10.0183 10.0183 10.0992 10.0992 10.4299 10.4299 11.2314 11.2314 k =-0.5000 0.3090 0.2075 ( 5002 PWs) bands (ev): -13.7940 -13.7940 -13.6937 -13.6937 -12.0588 -12.0588 -9.9825 -9.9825 -9.7685 -9.7685 -9.6273 -9.6273 -4.3371 -4.3371 -3.3943 -3.3943 -3.2518 -3.2518 -1.6513 -1.6513 -0.9574 -0.9574 -0.5619 -0.5619 -0.5127 -0.5127 0.2499 0.2499 1.4558 1.4558 1.7574 1.7574 1.9790 1.9790 1.9947 1.9947 2.2768 2.2768 2.5681 2.5681 2.9930 2.9930 3.5157 3.5157 4.1215 4.1215 4.1795 4.1795 9.4504 9.4504 10.0527 10.0527 10.0770 10.0770 10.5203 10.5203 11.2867 11.2867 k =-0.5000 0.3090 0.1902 ( 5008 PWs) bands (ev): -13.7963 -13.7963 -13.6927 -13.6927 -12.0835 -12.0835 -9.9254 -9.9254 -9.7724 -9.7724 -9.6266 -9.6266 -4.4179 -4.4179 -3.3470 -3.3470 -3.1988 -3.1988 -1.6292 -1.6292 -0.9823 -0.9823 -0.6342 -0.6342 -0.5813 -0.5813 0.2297 0.2297 1.4446 1.4446 1.8192 1.8192 2.0102 2.0102 2.0197 2.0197 2.2615 2.2615 2.5663 2.5663 2.9860 2.9860 3.5158 3.5158 4.1388 4.1388 4.1892 4.1892 9.3814 9.3814 10.0457 10.0457 10.0928 10.0928 10.6081 10.6081 11.3487 11.3487 k =-0.5000 0.3090 0.1729 ( 5018 PWs) bands (ev): -13.7984 -13.7984 -13.6917 -13.6917 -12.1060 -12.1060 -9.8713 -9.8713 -9.7760 -9.7760 -9.6260 -9.6260 -4.4942 -4.4942 -3.2997 -3.2997 -3.1459 -3.1459 -1.6092 -1.6092 -1.0050 -1.0050 -0.7054 -0.7054 -0.6490 -0.6490 0.2110 0.2110 1.4346 1.4346 1.8765 1.8765 2.0302 2.0302 2.0533 2.0533 2.2476 2.2476 2.5646 2.5646 2.9791 2.9791 3.5146 3.5146 4.1563 4.1563 4.1982 4.1982 9.3162 9.3162 10.0243 10.0243 10.1202 10.1202 10.6925 10.6925 11.4163 11.4163 k =-0.5000 0.3090 0.1556 ( 5018 PWs) bands (ev): -13.8004 -13.8004 -13.6908 -13.6908 -12.1265 -12.1265 -9.8207 -9.8207 -9.7793 -9.7793 -9.6254 -9.6254 -4.5654 -4.5654 -3.2528 -3.2528 -3.0937 -3.0937 -1.5913 -1.5913 -1.0257 -1.0257 -0.7747 -0.7747 -0.7152 -0.7152 0.1939 0.1939 1.4257 1.4257 1.9288 1.9288 2.0488 2.0488 2.0855 2.0855 2.2351 2.2351 2.5629 2.5629 2.9725 2.9725 3.5126 3.5126 4.1735 4.1735 4.2066 4.2066 9.2556 9.2556 10.0039 10.0039 10.1441 10.1441 10.7726 10.7726 11.4883 11.4883 k =-0.5000 0.3090 0.1383 ( 5016 PWs) bands (ev): -13.8022 -13.8022 -13.6901 -13.6901 -12.1448 -12.1448 -9.7835 -9.7835 -9.7726 -9.7726 -9.6249 -9.6249 -4.6309 -4.6309 -3.2072 -3.2072 -3.0429 -3.0429 -1.5755 -1.5755 -1.0445 -1.0445 -0.8408 -0.8408 -0.7789 -0.7789 0.1785 0.1785 1.4180 1.4180 1.9760 1.9760 2.0665 2.0665 2.1151 2.1151 2.2241 2.2241 2.5612 2.5612 2.9664 2.9664 3.5100 3.5100 4.1901 4.1901 4.2144 4.2144 9.1998 9.1998 9.9853 9.9853 10.1645 10.1645 10.8477 10.8477 11.5631 11.5631 k =-0.5000 0.3090 0.1211 ( 5024 PWs) bands (ev): -13.8038 -13.8038 -13.6894 -13.6894 -12.1610 -12.1610 -9.7855 -9.7855 -9.7308 -9.7307 -9.6244 -9.6244 -4.6902 -4.6902 -3.1635 -3.1635 -2.9944 -2.9944 -1.5616 -1.5616 -1.0618 -1.0618 -0.9025 -0.9025 -0.8392 -0.8392 0.1649 0.1649 1.4113 1.4113 2.0178 2.0178 2.0832 2.0832 2.1419 2.1419 2.2145 2.2145 2.5594 2.5594 2.9607 2.9607 3.5069 3.5069 4.2057 4.2057 4.2214 4.2214 9.1494 9.1494 9.9686 9.9686 10.1815 10.1815 10.9168 10.9168 11.6382 11.6382 k =-0.5000 0.3090 0.1038 ( 5022 PWs) bands (ev): -13.8052 -13.8052 -13.6888 -13.6888 -12.1750 -12.1750 -9.7878 -9.7878 -9.6930 -9.6930 -9.6239 -9.6239 -4.7428 -4.7428 -3.1226 -3.1226 -2.9489 -2.9489 -1.5497 -1.5497 -1.0780 -1.0780 -0.9582 -0.9582 -0.8950 -0.8950 0.1530 0.1530 1.4056 1.4056 2.0542 2.0542 2.0986 2.0986 2.1655 2.1655 2.2062 2.2062 2.5577 2.5577 2.9557 2.9557 3.5036 3.5036 4.2198 4.2198 4.2280 4.2280 9.1048 9.1048 9.9540 9.9540 10.1956 10.1956 10.9793 10.9793 11.6599 11.6599 k =-0.5000 0.3090 0.0865 ( 5014 PWs) bands (ev): -13.8064 -13.8064 -13.6884 -13.6884 -12.1869 -12.1869 -9.7898 -9.7898 -9.6607 -9.6607 -9.6229 -9.6229 -4.7883 -4.7883 -3.0855 -3.0855 -2.9076 -2.9076 -1.5397 -1.5397 -1.0942 -1.0942 -1.0057 -1.0057 -0.9452 -0.9452 0.1429 0.1429 1.4009 1.4009 2.0848 2.0848 2.1124 2.1124 2.1858 2.1858 2.1995 2.1995 2.5561 2.5561 2.9512 2.9512 3.5004 3.5004 4.2302 4.2302 4.2358 4.2358 9.0664 9.0664 9.9416 9.9416 10.2071 10.2071 11.0343 11.0343 11.6350 11.6350 k =-0.5000 0.3090 0.0692 ( 5014 PWs) bands (ev): -13.8074 -13.8074 -13.6880 -13.6880 -12.1966 -12.1966 -9.7915 -9.7915 -9.6362 -9.6362 -9.6195 -9.6195 -4.8262 -4.8262 -3.0532 -3.0532 -2.8717 -2.8717 -1.5316 -1.5316 -1.1121 -1.1121 -1.0421 -1.0421 -0.9885 -0.9885 0.1346 0.1346 1.3972 1.3972 2.1097 2.1097 2.1244 2.1244 2.1932 2.1932 2.2035 2.2035 2.5545 2.5545 2.9475 2.9475 3.4975 3.4975 4.2358 4.2358 4.2457 4.2457 9.0344 9.0344 9.9313 9.9313 10.2162 10.2162 11.0811 11.0811 11.6133 11.6133 k =-0.5000 0.3090 0.0519 ( 5000 PWs) bands (ev): -13.8081 -13.8081 -13.6877 -13.6877 -12.2042 -12.2042 -9.7928 -9.7928 -9.6274 -9.6274 -9.6064 -9.6064 -4.8561 -4.8561 -3.0267 -3.0267 -2.8421 -2.8421 -1.5254 -1.5254 -1.1322 -1.1322 -1.0658 -1.0658 -1.0237 -1.0237 0.1282 0.1282 1.3943 1.3943 2.1281 2.1281 2.1348 2.1348 2.1893 2.1893 2.2167 2.2167 2.5532 2.5532 2.9446 2.9446 3.4950 3.4950 4.2395 4.2395 4.2544 4.2544 9.0092 9.0092 9.9233 9.9233 10.2231 10.2231 11.1187 11.1187 11.5960 11.5960 k =-0.5000 0.3090 0.0346 ( 4988 PWs) bands (ev): -13.8087 -13.8087 -13.6874 -13.6874 -12.2096 -12.2096 -9.7938 -9.7938 -9.6259 -9.6259 -9.5920 -9.5920 -4.8776 -4.8776 -3.0070 -3.0070 -2.8200 -2.8200 -1.5210 -1.5210 -1.1510 -1.1510 -1.0793 -1.0793 -1.0497 -1.0497 0.1236 0.1236 1.3923 1.3923 2.1385 2.1385 2.1451 2.1451 2.1865 2.1865 2.2264 2.2264 2.5522 2.5522 2.9425 2.9425 3.4931 3.4931 4.2420 4.2420 4.2609 4.2609 8.9911 8.9911 9.9176 9.9176 10.2279 10.2279 11.1464 11.1464 11.5834 11.5834 k =-0.5000 0.3090 0.0173 ( 4992 PWs) bands (ev): -13.8090 -13.8090 -13.6873 -13.6873 -12.2129 -12.2129 -9.7943 -9.7943 -9.6254 -9.6254 -9.5828 -9.5828 -4.8907 -4.8907 -2.9949 -2.9949 -2.8064 -2.8064 -1.5184 -1.5184 -1.1640 -1.1640 -1.0861 -1.0861 -1.0656 -1.0656 0.1208 0.1208 1.3911 1.3911 2.1433 2.1433 2.1526 2.1526 2.1849 2.1849 2.2323 2.2323 2.5516 2.5516 2.9412 2.9412 3.4919 3.4919 4.2435 4.2435 4.2649 4.2649 8.9801 8.9801 9.9141 9.9141 10.2308 10.2308 11.1633 11.1633 11.5758 11.5758 k =-0.5000 0.3090 0.0000 ( 5000 PWs) bands (ev): -13.8091 -13.8091 -13.6873 -13.6873 -12.2140 -12.2140 -9.7945 -9.7945 -9.6253 -9.6253 -9.5797 -9.5797 -4.8950 -4.8950 -2.9907 -2.9907 -2.8017 -2.8017 -1.5175 -1.5175 -1.1686 -1.1686 -1.0882 -1.0882 -1.0710 -1.0710 0.1199 0.1199 1.3907 1.3907 2.1448 2.1448 2.1552 2.1552 2.1843 2.1843 2.2343 2.2343 2.5514 2.5514 2.9407 2.9407 3.4915 3.4915 4.2440 4.2440 4.2663 4.2663 8.9764 8.9764 9.9129 9.9129 10.2318 10.2318 11.1690 11.1690 11.5733 11.5733 k = 0.0000 0.0000 0.5361 ( 5018 PWs) bands (ev): -13.8902 -13.8902 -13.8902 -13.8902 -10.7701 -10.7701 -10.7701 -10.7701 -9.6841 -9.6841 -9.6841 -9.6841 -5.0981 -5.0981 -5.0981 -5.0981 -1.3472 -1.3472 -1.3472 -1.3472 -0.7099 -0.7099 -0.7099 -0.7099 0.0457 0.0457 0.0457 0.0457 1.1943 1.1943 1.1943 1.1943 2.0190 2.0190 2.0190 2.0190 3.0090 3.0090 3.0090 3.0090 3.6818 3.6818 3.6818 3.6818 4.0335 4.0335 4.0335 4.0335 9.0404 9.0404 9.0404 9.0404 9.3161 9.3161 9.3161 9.3161 11.6551 11.6551 k =-0.0147 0.0091 0.5361 ( 5010 PWs) bands (ev): -13.8899 -13.8899 -13.8899 -13.8899 -10.7712 -10.7712 -10.7710 -10.7710 -9.6843 -9.6843 -9.6837 -9.6837 -5.0968 -5.0968 -5.0957 -5.0957 -1.3515 -1.3515 -1.3482 -1.3482 -0.7113 -0.7113 -0.7049 -0.7049 0.0460 0.0460 0.0484 0.0484 1.1918 1.1918 1.1931 1.1931 2.0198 2.0198 2.0212 2.0212 3.0073 3.0073 3.0082 3.0082 3.6770 3.6770 3.6786 3.6786 4.0352 4.0352 4.0362 4.0362 9.0388 9.0388 9.0434 9.0434 9.3165 9.3165 9.3206 9.3206 11.6551 11.6554 k =-0.0294 0.0182 0.5361 ( 5006 PWs) bands (ev): -13.8891 -13.8891 -13.8889 -13.8889 -10.7745 -10.7745 -10.7741 -10.7741 -9.6842 -9.6842 -9.6832 -9.6832 -5.0918 -5.0918 -5.0896 -5.0896 -1.3609 -1.3609 -1.3544 -1.3544 -0.7090 -0.7090 -0.6964 -0.6964 0.0495 0.0495 0.0541 0.0541 1.1854 1.1854 1.1880 1.1880 2.0236 2.0236 2.0262 2.0262 3.0031 3.0031 3.0049 3.0049 3.6647 3.6647 3.6677 3.6677 4.0411 4.0411 4.0429 4.0429 9.0384 9.0384 9.0474 9.0474 9.3217 9.3217 9.3296 9.3296 11.6560 11.6565 k =-0.0441 0.0273 0.5361 ( 5018 PWs) bands (ev): -13.8876 -13.8876 -13.8874 -13.8874 -10.7798 -10.7798 -10.7792 -10.7792 -9.6839 -9.6839 -9.6824 -9.6824 -5.0832 -5.0832 -5.0798 -5.0798 -1.3751 -1.3751 -1.3659 -1.3659 -0.7031 -0.7031 -0.6849 -0.6849 0.0561 0.0561 0.0629 0.0629 1.1754 1.1754 1.1793 1.1793 2.0300 2.0300 2.0339 2.0339 2.9965 2.9965 2.9993 2.9993 3.6460 3.6460 3.6502 3.6502 4.0501 4.0501 4.0525 4.0525 9.0394 9.0394 9.0523 9.0523 9.3318 9.3318 9.3433 9.3433 11.6577 11.6578 k =-0.0588 0.0364 0.5361 ( 5008 PWs) bands (ev): -13.8856 -13.8856 -13.8853 -13.8853 -10.7870 -10.7870 -10.7863 -10.7863 -9.6834 -9.6834 -9.6814 -9.6814 -5.0708 -5.0708 -5.0664 -5.0664 -1.3938 -1.3938 -1.3822 -1.3822 -0.6937 -0.6937 -0.6705 -0.6705 0.0656 0.0656 0.0745 0.0745 1.1619 1.1619 1.1671 1.1671 2.0390 2.0390 2.0441 2.0441 2.9876 2.9876 2.9912 2.9912 3.6223 3.6223 3.6275 3.6275 4.0610 4.0610 4.0640 4.0640 9.0418 9.0418 9.0579 9.0579 9.3469 9.3469 9.3614 9.3614 11.6600 11.6600 k =-0.0735 0.0454 0.5361 ( 5004 PWs) bands (ev): -13.8830 -13.8830 -13.8826 -13.8826 -10.7962 -10.7962 -10.7954 -10.7954 -9.6828 -9.6828 -9.6803 -9.6803 -5.0549 -5.0549 -5.0494 -5.0494 -1.4165 -1.4165 -1.4032 -1.4032 -0.6811 -0.6811 -0.6536 -0.6536 0.0780 0.0780 0.0888 0.0888 1.1452 1.1452 1.1517 1.1517 2.0501 2.0501 2.0565 2.0565 2.9763 2.9763 2.9809 2.9809 3.5948 3.5948 3.6008 3.6008 4.0728 4.0728 4.0761 4.0761 9.0454 9.0454 9.0641 9.0641 9.3668 9.3668 9.3839 9.3839 11.6630 11.6630 k =-0.0882 0.0545 0.5361 ( 5000 PWs) bands (ev): -13.8798 -13.8798 -13.8794 -13.8794 -10.8072 -10.8072 -10.8062 -10.8062 -9.6820 -9.6820 -9.6791 -9.6791 -5.0354 -5.0354 -5.0289 -5.0289 -1.4428 -1.4428 -1.4283 -1.4283 -0.6657 -0.6657 -0.6346 -0.6346 0.0933 0.0933 0.1058 0.1058 1.1255 1.1255 1.1332 1.1332 2.0629 2.0629 2.0705 2.0705 2.9629 2.9629 2.9684 2.9684 3.5648 3.5648 3.5714 3.5714 4.0845 4.0845 4.0880 4.0880 9.0501 9.0501 9.0707 9.0707 9.3915 9.3915 9.4106 9.4106 11.6662 11.6666 k =-0.1029 0.0636 0.5361 ( 5012 PWs) bands (ev): -13.8761 -13.8761 -13.8756 -13.8756 -10.8199 -10.8199 -10.8187 -10.8187 -9.6811 -9.6811 -9.6779 -9.6779 -5.0125 -5.0125 -5.0050 -5.0050 -1.4724 -1.4724 -1.4571 -1.4571 -0.6477 -0.6477 -0.6138 -0.6138 0.1111 0.1111 0.1253 0.1253 1.1030 1.1030 1.1120 1.1120 2.0770 2.0770 2.0857 2.0857 2.9474 2.9474 2.9539 2.9539 3.5331 3.5331 3.5402 3.5402 4.0953 4.0953 4.0990 4.0990 9.0559 9.0559 9.0777 9.0777 9.4208 9.4208 9.4415 9.4415 11.6696 11.6696 k =-0.1176 0.0727 0.5361 ( 5016 PWs) bands (ev): -13.8719 -13.8719 -13.8713 -13.8713 -10.8341 -10.8341 -10.8328 -10.8328 -9.6801 -9.6801 -9.6766 -9.6766 -4.9862 -4.9862 -4.9777 -4.9777 -1.5049 -1.5049 -1.4893 -1.4893 -0.6275 -0.6275 -0.5913 -0.5913 0.1315 0.1315 0.1470 0.1470 1.0781 1.0781 1.0883 1.0883 2.0918 2.0918 2.1018 2.1018 2.9302 2.9302 2.9377 2.9377 3.5006 3.5006 3.5080 3.5080 4.1049 4.1049 4.1086 4.1086 9.0625 9.0625 9.0849 9.0849 9.4542 9.4542 9.4763 9.4763 11.6728 11.6728 k =-0.1324 0.0818 0.5361 ( 5020 PWs) bands (ev): -13.8672 -13.8672 -13.8666 -13.8666 -10.8497 -10.8497 -10.8483 -10.8483 -9.6791 -9.6791 -9.6753 -9.6753 -4.9566 -4.9566 -4.9472 -4.9472 -1.5401 -1.5401 -1.5245 -1.5245 -0.6053 -0.6053 -0.5675 -0.5675 0.1541 0.1541 0.1710 0.1710 1.0510 1.0510 1.0625 1.0625 2.1069 2.1069 2.1180 2.1180 2.9116 2.9116 2.9200 2.9200 3.4677 3.4677 3.4754 3.4754 4.1129 4.1129 4.1167 4.1167 9.0700 9.0700 9.0925 9.0925 9.4915 9.4915 9.5149 9.5149 11.6755 11.6755 k =-0.1471 0.0909 0.5361 ( 5014 PWs) bands (ev): -13.8621 -13.8621 -13.8614 -13.8614 -10.8666 -10.8666 -10.8651 -10.8651 -9.6781 -9.6781 -9.6740 -9.6740 -4.9238 -4.9238 -4.9137 -4.9137 -1.5777 -1.5777 -1.5623 -1.5623 -0.5814 -0.5814 -0.5424 -0.5424 0.1789 0.1789 0.1970 0.1970 1.0220 1.0220 1.0348 1.0348 2.1216 2.1216 2.1338 2.1338 2.8919 2.8919 2.9012 2.9012 3.4351 3.4351 3.4429 3.4429 4.1191 4.1191 4.1230 4.1230 9.0781 9.0781 9.1003 9.1003 9.5324 9.5324 9.5569 9.5569 11.6775 11.6775 k =-0.1618 0.1000 0.5361 ( 5010 PWs) bands (ev): -13.8565 -13.8565 -13.8558 -13.8558 -10.8845 -10.8845 -10.8830 -10.8830 -9.6771 -9.6771 -9.6729 -9.6729 -4.8881 -4.8881 -4.8771 -4.8771 -1.6175 -1.6175 -1.6025 -1.6025 -0.5561 -0.5561 -0.5163 -0.5163 0.2057 0.2057 0.2248 0.2248 0.9914 0.9914 1.0054 1.0054 2.1353 2.1353 2.1487 2.1487 2.8717 2.8717 2.8818 2.8818 3.4030 3.4030 3.4108 3.4108 4.1234 4.1234 4.1273 4.1273 9.0867 9.0867 9.1084 9.1084 9.5763 9.5763 9.6021 9.6021 11.6784 11.6784 k =-0.1765 0.1091 0.5361 ( 5010 PWs) bands (ev): -13.8506 -13.8506 -13.8498 -13.8498 -10.9033 -10.9033 -10.9017 -10.9017 -9.6762 -9.6762 -9.6718 -9.6718 -4.8494 -4.8494 -4.8377 -4.8377 -1.6593 -1.6593 -1.6447 -1.6447 -0.5296 -0.5296 -0.4893 -0.4893 0.2343 0.2343 0.2544 0.2544 0.9594 0.9594 0.9747 0.9747 2.1473 2.1473 2.1618 2.1618 2.8515 2.8515 2.8623 2.8623 3.3718 3.3718 3.3795 3.3795 4.1259 4.1259 4.1298 4.1298 9.0958 9.0958 9.1168 9.1168 9.6229 9.6229 9.6500 9.6500 11.6779 11.6779 k =-0.1912 0.1182 0.5361 ( 5000 PWs) bands (ev): -13.8444 -13.8444 -13.8435 -13.8435 -10.9228 -10.9228 -10.9212 -10.9212 -9.6753 -9.6753 -9.6709 -9.6709 -4.8081 -4.8081 -4.7957 -4.7957 -1.7029 -1.7029 -1.6889 -1.6889 -0.5020 -0.5020 -0.4617 -0.4617 0.2645 0.2645 0.2856 0.2856 0.9262 0.9262 0.9429 0.9429 2.1570 2.1570 2.1726 2.1726 2.8320 2.8320 2.8433 2.8433 3.3418 3.3418 3.3492 3.3492 4.1265 4.1265 4.1305 4.1305 9.1053 9.1053 9.1255 9.1255 9.6719 9.6719 9.7004 9.7004 11.6758 11.6758 k =-0.2059 0.1272 0.5361 ( 4996 PWs) bands (ev): -13.8378 -13.8378 -13.8370 -13.8370 -10.9429 -10.9429 -10.9413 -10.9413 -9.6746 -9.6746 -9.6701 -9.6701 -4.7641 -4.7641 -4.7512 -4.7512 -1.7481 -1.7481 -1.7347 -1.7347 -0.4737 -0.4737 -0.4334 -0.4334 0.2960 0.2960 0.3182 0.3182 0.8923 0.8923 0.9104 0.9104 2.1637 2.1637 2.1803 2.1803 2.8136 2.8136 2.8253 2.8253 3.3131 3.3131 3.3202 3.3202 4.1254 4.1254 4.1294 4.1294 9.1151 9.1151 9.1344 9.1344 9.7228 9.7228 9.7528 9.7528 11.6717 11.6717 k =-0.2206 0.1363 0.5361 ( 5012 PWs) bands (ev): -13.8310 -13.8310 -13.8301 -13.8301 -10.9634 -10.9634 -10.9617 -10.9617 -9.6739 -9.6739 -9.6694 -9.6694 -4.7179 -4.7179 -4.7044 -4.7044 -1.7948 -1.7948 -1.7820 -1.7820 -0.4448 -0.4448 -0.4048 -0.4048 0.3285 0.3285 0.3520 0.3520 0.8580 0.8580 0.8776 0.8776 2.1667 2.1667 2.1843 2.1843 2.7970 2.7970 2.8087 2.8087 3.2859 3.2859 3.2927 3.2927 4.1227 4.1227 4.1267 4.1267 9.1251 9.1251 9.1434 9.1434 9.7751 9.7751 9.8069 9.8069 11.6655 11.6656 k =-0.2353 0.1454 0.5361 ( 5008 PWs) bands (ev): -13.8241 -13.8241 -13.8232 -13.8232 -10.9841 -10.9841 -10.9824 -10.9824 -9.6734 -9.6734 -9.6689 -9.6689 -4.6694 -4.6694 -4.6555 -4.6555 -1.8428 -1.8428 -1.8306 -1.8306 -0.4154 -0.4154 -0.3759 -0.3759 0.3616 0.3616 0.3866 0.3866 0.8237 0.8237 0.8450 0.8450 2.1655 2.1655 2.1840 2.1840 2.7826 2.7826 2.7941 2.7941 3.2606 3.2606 3.2669 3.2669 4.1184 4.1184 4.1224 4.1224 9.1353 9.1353 9.1526 9.1526 9.8287 9.8287 9.8621 9.8621 11.6571 11.6571 k =-0.2500 0.1545 0.5361 ( 4996 PWs) bands (ev): -13.8170 -13.8170 -13.8160 -13.8160 -11.0048 -11.0048 -11.0032 -11.0032 -9.6730 -9.6730 -9.6686 -9.6686 -4.6191 -4.6191 -4.6048 -4.6048 -1.8920 -1.8920 -1.8804 -1.8804 -0.3857 -0.3857 -0.3468 -0.3468 0.3946 0.3946 0.4217 0.4217 0.7902 0.7902 0.8134 0.8134 2.1599 2.1599 2.1792 2.1792 2.7705 2.7705 2.7815 2.7815 3.2373 3.2373 3.2433 3.2433 4.1128 4.1128 4.1168 4.1168 9.1456 9.1456 9.1620 9.1620 9.8831 9.8831 9.9183 9.9183 11.6463 11.6463 k =-0.2647 0.1636 0.5361 ( 5006 PWs) bands (ev): -13.8098 -13.8098 -13.8089 -13.8089 -11.0254 -11.0254 -11.0238 -11.0238 -9.6727 -9.6727 -9.6684 -9.6684 -4.5670 -4.5670 -4.5525 -4.5525 -1.9422 -1.9422 -1.9312 -1.9312 -0.3560 -0.3560 -0.3178 -0.3178 0.4265 0.4265 0.4561 0.4561 0.7585 0.7585 0.7839 0.7839 2.1495 2.1495 2.1696 2.1696 2.7606 2.7606 2.7708 2.7708 3.2163 3.2163 3.2220 3.2220 4.1060 4.1060 4.1101 4.1101 9.1559 9.1559 9.1714 9.1714 9.9380 9.9380 9.9748 9.9748 11.6332 11.6332 k =-0.2794 0.1727 0.5361 ( 5002 PWs) bands (ev): -13.8026 -13.8026 -13.8017 -13.8017 -11.0457 -11.0457 -11.0441 -11.0441 -9.6726 -9.6726 -9.6684 -9.6684 -4.5136 -4.5136 -4.4988 -4.4988 -1.9932 -1.9932 -1.9827 -1.9827 -0.3264 -0.3264 -0.2889 -0.2889 0.4552 0.4552 0.4883 0.4883 0.7304 0.7304 0.7584 0.7584 2.1347 2.1347 2.1554 2.1554 2.7525 2.7525 2.7619 2.7619 3.1980 3.1980 3.2033 3.2033 4.0983 4.0983 4.1023 4.1023 9.1662 9.1662 9.1807 9.1807 9.9929 9.9929 10.0315 10.0315 11.6176 11.6176 k =-0.2941 0.1818 0.5361 ( 5002 PWs) bands (ev): -13.7955 -13.7955 -13.7946 -13.7946 -11.0655 -11.0655 -11.0639 -11.0639 -9.6725 -9.6725 -9.6685 -9.6685 -4.4590 -4.4590 -4.4441 -4.4441 -2.0449 -2.0449 -2.0348 -2.0348 -0.2969 -0.2969 -0.2603 -0.2603 0.4779 0.4779 0.5146 0.5146 0.7095 0.7095 0.7402 0.7402 2.1156 2.1156 2.1370 2.1370 2.7457 2.7457 2.7541 2.7541 3.1825 3.1825 3.1877 3.1877 4.0897 4.0897 4.0937 4.0937 9.1764 9.1764 9.1900 9.1900 10.0477 10.0477 10.0879 10.0879 11.5996 11.5996 k =-0.3088 0.1909 0.5361 ( 5002 PWs) bands (ev): -13.7885 -13.7885 -13.7876 -13.7876 -11.0847 -11.0847 -11.0832 -11.0832 -9.6725 -9.6725 -9.6687 -9.6687 -4.4037 -4.4037 -4.3888 -4.3888 -2.0970 -2.0970 -2.0872 -2.0872 -0.2677 -0.2677 -0.2320 -0.2320 0.4903 0.4903 0.5290 0.5290 0.7021 0.7021 0.7333 0.7333 2.0927 2.0927 2.1147 2.1147 2.7394 2.7394 2.7470 2.7470 3.1702 3.1702 3.1753 3.1753 4.0805 4.0805 4.0845 4.0845 9.1865 9.1865 9.1992 9.1992 10.1020 10.1020 10.1436 10.1436 11.5795 11.5795 k =-0.3235 0.1999 0.5361 ( 5004 PWs) bands (ev): -13.7816 -13.7816 -13.7808 -13.7808 -11.1032 -11.1032 -11.1017 -11.1017 -9.6726 -9.6726 -9.6690 -9.6690 -4.3479 -4.3479 -4.3331 -4.3331 -2.1491 -2.1491 -2.1397 -2.1397 -0.2390 -0.2390 -0.2042 -0.2042 0.4895 0.4895 0.5266 0.5266 0.7126 0.7126 0.7408 0.7408 2.0667 2.0667 2.0891 2.0891 2.7330 2.7330 2.7399 2.7399 3.1611 3.1611 3.1661 3.1661 4.0709 4.0709 4.0748 4.0748 9.1963 9.1963 9.2081 9.2081 10.1555 10.1555 10.1983 10.1983 11.5572 11.5572 k =-0.3382 0.2090 0.5361 ( 5002 PWs) bands (ev): -13.7750 -13.7750 -13.7742 -13.7742 -11.1207 -11.1207 -11.1194 -11.1194 -9.6728 -9.6728 -9.6694 -9.6694 -4.2921 -4.2921 -4.2776 -4.2776 -2.2011 -2.2011 -2.1920 -2.1920 -0.2108 -0.2108 -0.1770 -0.1770 0.4767 0.4767 0.5105 0.5105 0.7381 0.7381 0.7616 0.7616 2.0381 2.0381 2.0608 2.0608 2.7262 2.7262 2.7325 2.7325 3.1553 3.1553 3.1603 3.1603 4.0610 4.0610 4.0648 4.0648 9.2058 9.2058 9.2167 9.2167 10.2079 10.2079 10.2517 10.2517 11.5332 11.5332 k =-0.3529 0.2181 0.5361 ( 5006 PWs) bands (ev): -13.7688 -13.7688 -13.7680 -13.7680 -11.1372 -11.1372 -11.1359 -11.1359 -9.6730 -9.6730 -9.6699 -9.6699 -4.2369 -4.2369 -4.2227 -4.2227 -2.2525 -2.2525 -2.2436 -2.2436 -0.1833 -0.1833 -0.1505 -0.1505 0.4560 0.4560 0.4868 0.4868 0.7719 0.7719 0.7917 0.7917 2.0076 2.0076 2.0304 2.0304 2.7188 2.7188 2.7246 2.7246 3.1525 3.1525 3.1574 3.1574 4.0512 4.0512 4.0548 4.0548 9.2149 9.2149 9.2249 9.2249 10.2588 10.2588 10.3033 10.3033 11.5078 11.5078 k =-0.3676 0.2272 0.5361 ( 5014 PWs) bands (ev): -13.7629 -13.7629 -13.7621 -13.7621 -11.1526 -11.1526 -11.1514 -11.1514 -9.6732 -9.6732 -9.6704 -9.6704 -4.1827 -4.1827 -4.1690 -4.1690 -2.3027 -2.3027 -2.2942 -2.2942 -0.1565 -0.1565 -0.1247 -0.1247 0.4311 0.4311 0.4598 0.4598 0.8098 0.8098 0.8272 0.8272 1.9758 1.9758 1.9985 1.9985 2.7107 2.7107 2.7161 2.7161 3.1524 3.1524 3.1572 3.1572 4.0414 4.0414 4.0449 4.0449 9.2236 9.2236 9.2327 9.2327 10.3081 10.3081 10.3528 10.3528 11.4813 11.4813 k =-0.3824 0.2363 0.5361 ( 5010 PWs) bands (ev): -13.7574 -13.7574 -13.7567 -13.7567 -11.1666 -11.1666 -11.1656 -11.1656 -9.6735 -9.6735 -9.6709 -9.6709 -4.1301 -4.1301 -4.1171 -4.1171 -2.3513 -2.3513 -2.3431 -2.3431 -0.1304 -0.1304 -0.0999 -0.0999 0.4044 0.4044 0.4316 0.4316 0.8493 0.8493 0.8652 0.8652 1.9434 1.9434 1.9656 1.9656 2.7021 2.7021 2.7071 2.7071 3.1546 3.1546 3.1590 3.1590 4.0321 4.0321 4.0353 4.0353 9.2317 9.2317 9.2398 9.2398 10.3553 10.3553 10.3996 10.3996 11.4545 11.4545 k =-0.3971 0.2454 0.5361 ( 5022 PWs) bands (ev): -13.7524 -13.7524 -13.7518 -13.7518 -11.1793 -11.1793 -11.1783 -11.1783 -9.6737 -9.6737 -9.6714 -9.6714 -4.0800 -4.0800 -4.0679 -4.0679 -2.3975 -2.3975 -2.3898 -2.3898 -0.1053 -0.1053 -0.0762 -0.0762 0.3775 0.3775 0.4034 0.4034 0.8890 0.8890 0.9039 0.9039 1.9110 1.9110 1.9324 1.9324 2.6935 2.6935 2.6980 2.6980 3.1583 3.1583 3.1624 3.1624 4.0233 4.0233 4.0262 4.0262 9.2391 9.2391 9.2463 9.2463 10.4000 10.4000 10.4431 10.4431 11.4281 11.4281 k =-0.4118 0.2545 0.5361 ( 5028 PWs) bands (ev): -13.7479 -13.7479 -13.7474 -13.7474 -11.1905 -11.1905 -11.1896 -11.1896 -9.6739 -9.6739 -9.6720 -9.6720 -4.0332 -4.0332 -4.0221 -4.0221 -2.4406 -2.4406 -2.4334 -2.4334 -0.0813 -0.0813 -0.0538 -0.0538 0.3514 0.3514 0.3760 0.3760 0.9277 0.9277 0.9416 0.9416 1.8796 1.8796 1.8997 1.8997 2.6851 2.6851 2.6891 2.6891 3.1630 3.1630 3.1666 3.1666 4.0152 4.0152 4.0178 4.0178 9.2459 9.2459 9.2521 9.2521 10.4419 10.4419 10.4828 10.4828 11.4028 11.4028 k =-0.4265 0.2636 0.5361 ( 5024 PWs) bands (ev): -13.7440 -13.7440 -13.7436 -13.7436 -11.2001 -11.2001 -11.1994 -11.1994 -9.6741 -9.6741 -9.6725 -9.6725 -3.9906 -3.9906 -3.9808 -3.9808 -2.4795 -2.4795 -2.4731 -2.4731 -0.0585 -0.0585 -0.0332 -0.0332 0.3271 0.3271 0.3500 0.3500 0.9643 0.9643 0.9770 0.9770 1.8501 1.8501 1.8684 1.8684 2.6774 2.6774 2.6808 2.6808 3.1681 3.1681 3.1712 3.1712 4.0081 4.0081 4.0103 4.0103 9.2518 9.2518 9.2571 9.2571 10.4802 10.4802 10.5178 10.5178 11.3798 11.3798 k =-0.4412 0.2727 0.5361 ( 5032 PWs) bands (ev): -13.7408 -13.7408 -13.7404 -13.7404 -11.2080 -11.2080 -11.2074 -11.2074 -9.6743 -9.6743 -9.6729 -9.6729 -3.9533 -3.9533 -3.9450 -3.9450 -2.5134 -2.5134 -2.5079 -2.5079 -0.0375 -0.0375 -0.0149 -0.0149 0.3055 0.3055 0.3260 0.3260 0.9975 0.9975 1.0088 1.0088 1.8236 1.8236 1.8395 1.8395 2.6707 2.6707 2.6735 2.6735 3.1731 3.1731 3.1757 3.1757 4.0020 4.0020 4.0039 4.0039 9.2569 9.2569 9.2611 9.2611 10.5144 10.5144 10.5473 10.5473 11.3601 11.3601 k =-0.4559 0.2817 0.5361 ( 5030 PWs) bands (ev): -13.7382 -13.7382 -13.7380 -13.7380 -11.2142 -11.2142 -11.2138 -11.2138 -9.6744 -9.6744 -9.6734 -9.6734 -3.9224 -3.9224 -3.9159 -3.9159 -2.5410 -2.5410 -2.5367 -2.5367 -0.0185 -0.0185 0.0002 0.0002 0.2875 0.2875 0.3048 0.3048 1.0261 1.0261 1.0353 1.0353 1.8015 1.8015 1.8143 1.8143 2.6652 2.6652 2.6673 2.6673 3.1776 3.1776 3.1795 3.1795 3.9972 3.9972 3.9986 3.9986 9.2610 9.2610 9.2642 9.2642 10.5437 10.5437 10.5702 10.5702 11.3448 11.3448 k =-0.4706 0.2908 0.5361 ( 5030 PWs) bands (ev): -13.7364 -13.7364 -13.7362 -13.7362 -11.2187 -11.2187 -11.2184 -11.2184 -9.6744 -9.6744 -9.6737 -9.6737 -3.8990 -3.8990 -3.8946 -3.8946 -2.5615 -2.5615 -2.5584 -2.5584 -0.0026 -0.0026 0.0111 0.0111 0.2744 0.2744 0.2871 0.2871 1.0485 1.0485 1.0551 1.0551 1.7851 1.7851 1.7941 1.7941 2.6612 2.6612 2.6627 2.6627 3.1811 3.1811 3.1824 3.1824 3.9937 3.9937 3.9947 3.9947 9.2642 9.2642 9.2663 9.2663 10.5670 10.5670 10.5858 10.5858 11.3350 11.3350 k =-0.4853 0.2999 0.5361 ( 5042 PWs) bands (ev): -13.7352 -13.7352 -13.7351 -13.7351 -11.2214 -11.2214 -11.2212 -11.2212 -9.6743 -9.6743 -9.6740 -9.6740 -3.8841 -3.8841 -3.8818 -3.8818 -2.5738 -2.5738 -2.5723 -2.5723 0.0093 0.0093 0.0166 0.0166 0.2674 0.2674 0.2743 0.2743 1.0634 1.0634 1.0669 1.0669 1.7756 1.7756 1.7803 1.7803 2.6589 2.6589 2.6597 2.6597 3.1834 3.1834 3.1841 3.1841 3.9917 3.9917 3.9922 3.9922 9.2663 9.2663 9.2674 9.2674 10.5836 10.5836 10.5934 10.5934 11.3314 11.3314 k =-0.5000 0.3090 0.5361 ( 5048 PWs) bands (ev): -13.7348 -13.7348 -13.7348 -13.7348 -11.2222 -11.2222 -11.2222 -11.2222 -9.6742 -9.6742 -9.6742 -9.6742 -3.8783 -3.8783 -3.8783 -3.8783 -2.5775 -2.5775 -2.5775 -2.5775 0.0159 0.0159 0.0159 0.0159 0.2674 0.2674 0.2674 0.2674 1.0697 1.0697 1.0697 1.0697 1.7740 1.7740 1.7740 1.7740 2.6584 2.6584 2.6584 2.6584 3.1845 3.1845 3.1845 3.1845 3.9912 3.9912 3.9912 3.9912 9.2674 9.2674 9.2674 9.2674 10.5926 10.5926 10.5926 10.5926 11.3343 11.3343 Writing output data file Ge2N2O.save init_run : 1.45s CPU 11.41s WALL ( 1 calls) electrons : 1097.08s CPU 1106.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.54s CPU 1.42s WALL ( 1 calls) Called by electrons: c_bands : 1097.06s CPU 1106.53s WALL ( 1 calls) v_of_rho : 0.26s CPU 1.00s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.22s CPU 0.74s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 354 calls) cegterg : 1048.30s CPU 1054.49s WALL ( 1181 calls) Called by sum_band: Called by *egterg: h_psi : 372.36s CPU 383.64s WALL ( 22069 calls) s_psi : 29.37s CPU 30.51s WALL ( 22069 calls) g_psi : 1.08s CPU 1.21s WALL ( 20534 calls) cdiaghg : 482.37s CPU 477.16s WALL ( 20888 calls) cegterg:over : 85.97s CPU 83.41s WALL ( 20534 calls) cegterg:upda : 21.79s CPU 27.70s WALL ( 20534 calls) cegterg:last : 17.51s CPU 18.37s WALL ( 2580 calls) Called by h_psi: h_psi:vloc : 288.89s CPU 298.85s WALL ( 22069 calls) h_psi:vnl : 82.86s CPU 83.46s WALL ( 22069 calls) add_vuspsi : 23.29s CPU 28.22s WALL ( 22069 calls) General routines calbec : 59.50s CPU 55.04s WALL ( 22069 calls) fft : 0.46s CPU 1.46s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 271.64s CPU 278.69s WALL ( 1694576 calls) interpolate : 0.04s CPU 0.06s WALL ( 4 calls) davcio : 0.04s CPU 1.71s WALL ( 708 calls) Parallel routines fft_scatter : 171.17s CPU 179.92s WALL ( 1694599 calls) PWSCF : 19m22.00s CPU 22m24.39s WALL This run was terminated on: 15:37: 7 26Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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