Program PWSCF v.5.1.1 starts on 29Dec2015 at 8:52:28 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: ./AlPO4.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 48 28 8 2462 1084 166 Max 49 29 9 2471 1100 172 Sum 2337 1353 385 118365 52459 8111 bravais-lattice index = 14 lattice parameter (alat) = 9.5056 a.u. unit-cell volume = 1201.8664 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 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)= 9.505597 celldm(2)= 1.000000 celldm(3)= 1.399323 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.000619 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.000619 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.399323 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000619 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.714631 ) PseudoPot. # 1 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. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 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 ) ( 0.6996616 ) 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0111042 0.0111111 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0222085 0.0222222 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0333127 0.0333333 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0444170 0.0444445 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0555212 0.0555556 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0666255 0.0666667 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0777297 0.0777778 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0888339 0.0888889 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0999382 0.1000000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.1110424 0.1111111 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1221467 0.1222222 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1332509 0.1333334 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1443552 0.1444445 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1554594 0.1555556 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1665636 0.1666667 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1776679 0.1777778 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1887721 0.1888889 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1998764 0.2000000 -0.0000000), wk = 0.0028571 k( 20) = ( 0.2109806 0.2111111 -0.0000000), wk = 0.0028571 k( 21) = ( 0.2220849 0.2222223 -0.0000000), wk = 0.0028571 k( 22) = ( 0.2331891 0.2333334 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2442933 0.2444445 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2553976 0.2555556 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2665018 0.2666667 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2776061 0.2777778 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2887103 0.2888889 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2998146 0.3000001 -0.0000000), wk = 0.0028571 k( 29) = ( 0.3109188 0.3111112 -0.0000000), wk = 0.0028571 k( 30) = ( 0.3220230 0.3222223 -0.0000000), wk = 0.0028571 k( 31) = ( 0.3331273 0.3333334 -0.0000000), wk = 0.0028571 k( 32) = ( 0.3442315 0.3444445 -0.0000000), wk = 0.0028571 k( 33) = ( 0.3553358 0.3555556 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3664400 0.3666667 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3775443 0.3777779 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3886485 0.3888890 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3997527 0.4000001 -0.0000000), wk = 0.0028571 k( 38) = ( 0.4108570 0.4111112 -0.0000000), wk = 0.0028571 k( 39) = ( 0.4219612 0.4222223 -0.0000000), wk = 0.0028571 k( 40) = ( 0.4330655 0.4333334 -0.0000000), wk = 0.0028571 k( 41) = ( 0.4441697 0.4444445 -0.0000000), wk = 0.0028571 k( 42) = ( 0.4552740 0.4555556 -0.0000000), wk = 0.0028571 k( 43) = ( 0.4663782 0.4666668 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4774824 0.4777779 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4885867 0.4888890 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4996909 0.5000001 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4996909 0.5000001 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4840756 0.5000001 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4684603 0.5000001 -0.0000000), wk = 0.0028571 k( 50) = ( 0.4528449 0.5000001 -0.0000000), wk = 0.0028571 k( 51) = ( 0.4372296 0.5000001 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4216142 0.5000001 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4059989 0.5000001 -0.0000000), wk = 0.0028571 k( 54) = ( 0.3903835 0.5000001 -0.0000000), wk = 0.0028571 k( 55) = ( 0.3747682 0.5000001 -0.0000000), wk = 0.0028571 k( 56) = ( 0.3591529 0.5000001 -0.0000000), wk = 0.0028571 k( 57) = ( 0.3435375 0.5000001 -0.0000000), wk = 0.0028571 k( 58) = ( 0.3279222 0.5000001 -0.0000000), wk = 0.0028571 k( 59) = ( 0.3123068 0.5000001 -0.0000000), wk = 0.0028571 k( 60) = ( 0.2966915 0.5000001 -0.0000000), wk = 0.0028571 k( 61) = ( 0.2810762 0.5000001 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2654608 0.5000001 -0.0000000), wk = 0.0028571 k( 63) = ( 0.2498455 0.5000001 -0.0000000), wk = 0.0028571 k( 64) = ( 0.2342301 0.5000001 -0.0000000), wk = 0.0028571 k( 65) = ( 0.2186148 0.5000001 -0.0000000), wk = 0.0028571 k( 66) = ( 0.2029994 0.5000001 -0.0000000), wk = 0.0028571 k( 67) = ( 0.1873841 0.5000001 -0.0000000), wk = 0.0028571 k( 68) = ( 0.1717688 0.5000001 -0.0000000), wk = 0.0028571 k( 69) = ( 0.1561534 0.5000001 -0.0000000), wk = 0.0028571 k( 70) = ( 0.1405381 0.5000001 -0.0000000), wk = 0.0028571 k( 71) = ( 0.1249227 0.5000001 -0.0000000), wk = 0.0028571 k( 72) = ( 0.1093074 0.5000001 -0.0000000), wk = 0.0028571 k( 73) = ( 0.0936920 0.5000001 -0.0000000), wk = 0.0028571 k( 74) = ( 0.0780767 0.5000001 -0.0000000), wk = 0.0028571 k( 75) = ( 0.0624614 0.5000001 -0.0000000), wk = 0.0028571 k( 76) = ( 0.0468460 0.5000001 -0.0000000), wk = 0.0028571 k( 77) = ( 0.0312307 0.5000001 -0.0000000), wk = 0.0028571 k( 78) = ( 0.0156153 0.5000001 -0.0000000), wk = 0.0028571 k( 79) = ( 0.0000000 0.5000001 -0.0000000), wk = 0.0028571 k( 80) = ( 0.0000000 0.5000001 -0.0000000), wk = 0.0028571 k( 81) = ( 0.0000000 0.5000001 0.0155355), wk = 0.0028571 k( 82) = ( 0.0000000 0.5000001 0.0310709), wk = 0.0028571 k( 83) = ( 0.0000000 0.5000001 0.0466064), wk = 0.0028571 k( 84) = ( 0.0000000 0.5000001 0.0621418), wk = 0.0028571 k( 85) = ( 0.0000000 0.5000001 0.0776773), wk = 0.0028571 k( 86) = ( 0.0000000 0.5000001 0.0932128), wk = 0.0028571 k( 87) = ( 0.0000000 0.5000001 0.1087482), wk = 0.0028571 k( 88) = ( 0.0000000 0.5000001 0.1242837), wk = 0.0028571 k( 89) = ( 0.0000000 0.5000001 0.1398191), wk = 0.0028571 k( 90) = ( 0.0000000 0.5000001 0.1553546), wk = 0.0028571 k( 91) = ( 0.0000000 0.5000001 0.1708901), wk = 0.0028571 k( 92) = ( 0.0000000 0.5000001 0.1864255), wk = 0.0028571 k( 93) = ( 0.0000000 0.5000001 0.2019610), wk = 0.0028571 k( 94) = ( 0.0000000 0.5000001 0.2174964), wk = 0.0028571 k( 95) = ( 0.0000000 0.5000001 0.2330319), wk = 0.0028571 k( 96) = ( 0.0000000 0.5000001 0.2485674), wk = 0.0028571 k( 97) = ( 0.0000000 0.5000001 0.2641028), wk = 0.0028571 k( 98) = ( 0.0000000 0.5000001 0.2796383), wk = 0.0028571 k( 99) = ( 0.0000000 0.5000001 0.2951737), wk = 0.0028571 k( 100) = ( 0.0000000 0.5000001 0.3107092), wk = 0.0028571 k( 101) = ( 0.0000000 0.5000001 0.3262447), wk = 0.0028571 k( 102) = ( 0.0000000 0.5000001 0.3417801), wk = 0.0028571 k( 103) = ( 0.0000000 0.5000001 0.3573156), wk = 0.0028571 k( 104) = ( 0.0000000 0.5000001 0.3573156), wk = 0.0028571 k( 105) = ( 0.0156153 0.5000001 0.3573156), wk = 0.0028571 k( 106) = ( 0.0312307 0.5000001 0.3573156), wk = 0.0028571 k( 107) = ( 0.0468460 0.5000001 0.3573156), wk = 0.0028571 k( 108) = ( 0.0624614 0.5000001 0.3573156), wk = 0.0028571 k( 109) = ( 0.0780767 0.5000001 0.3573156), wk = 0.0028571 k( 110) = ( 0.0936920 0.5000001 0.3573156), wk = 0.0028571 k( 111) = ( 0.1093074 0.5000001 0.3573156), wk = 0.0028571 k( 112) = ( 0.1249227 0.5000001 0.3573156), wk = 0.0028571 k( 113) = ( 0.1405381 0.5000001 0.3573156), wk = 0.0028571 k( 114) = ( 0.1561534 0.5000001 0.3573156), wk = 0.0028571 k( 115) = ( 0.1717688 0.5000001 0.3573156), wk = 0.0028571 k( 116) = ( 0.1873841 0.5000001 0.3573156), wk = 0.0028571 k( 117) = ( 0.2029994 0.5000001 0.3573156), wk = 0.0028571 k( 118) = ( 0.2186148 0.5000001 0.3573156), wk = 0.0028571 k( 119) = ( 0.2342301 0.5000001 0.3573156), wk = 0.0028571 k( 120) = ( 0.2498455 0.5000001 0.3573156), wk = 0.0028571 k( 121) = ( 0.2654608 0.5000001 0.3573156), wk = 0.0028571 k( 122) = ( 0.2810762 0.5000001 0.3573156), wk = 0.0028571 k( 123) = ( 0.2966915 0.5000001 0.3573156), wk = 0.0028571 k( 124) = ( 0.3123068 0.5000001 0.3573156), wk = 0.0028571 k( 125) = ( 0.3279222 0.5000001 0.3573156), wk = 0.0028571 k( 126) = ( 0.3435375 0.5000001 0.3573156), wk = 0.0028571 k( 127) = ( 0.3591529 0.5000001 0.3573156), wk = 0.0028571 k( 128) = ( 0.3747682 0.5000001 0.3573156), wk = 0.0028571 k( 129) = ( 0.3903835 0.5000001 0.3573156), wk = 0.0028571 k( 130) = ( 0.4059989 0.5000001 0.3573156), wk = 0.0028571 k( 131) = ( 0.4216142 0.5000001 0.3573156), wk = 0.0028571 k( 132) = ( 0.4372296 0.5000001 0.3573156), wk = 0.0028571 k( 133) = ( 0.4528449 0.5000001 0.3573156), wk = 0.0028571 k( 134) = ( 0.4684603 0.5000001 0.3573156), wk = 0.0028571 k( 135) = ( 0.4840756 0.5000001 0.3573156), wk = 0.0028571 k( 136) = ( 0.4996909 0.5000001 0.3573156), wk = 0.0028571 k( 137) = ( 0.4996909 0.5000001 0.3573156), wk = 0.0028571 k( 138) = ( 0.4885867 0.4888890 0.3573156), wk = 0.0028571 k( 139) = ( 0.4774824 0.4777779 0.3573156), wk = 0.0028571 k( 140) = ( 0.4663782 0.4666668 0.3573156), wk = 0.0028571 k( 141) = ( 0.4552740 0.4555556 0.3573156), wk = 0.0028571 k( 142) = ( 0.4441697 0.4444445 0.3573156), wk = 0.0028571 k( 143) = ( 0.4330655 0.4333334 0.3573156), wk = 0.0028571 k( 144) = ( 0.4219612 0.4222223 0.3573156), wk = 0.0028571 k( 145) = ( 0.4108570 0.4111112 0.3573156), wk = 0.0028571 k( 146) = ( 0.3997527 0.4000001 0.3573156), wk = 0.0028571 k( 147) = ( 0.3886485 0.3888890 0.3573156), wk = 0.0028571 k( 148) = ( 0.3775443 0.3777779 0.3573156), wk = 0.0028571 k( 149) = ( 0.3664400 0.3666667 0.3573156), wk = 0.0028571 k( 150) = ( 0.3553358 0.3555556 0.3573156), wk = 0.0028571 k( 151) = ( 0.3442315 0.3444445 0.3573156), wk = 0.0028571 k( 152) = ( 0.3331273 0.3333334 0.3573156), wk = 0.0028571 k( 153) = ( 0.3220230 0.3222223 0.3573156), wk = 0.0028571 k( 154) = ( 0.3109188 0.3111112 0.3573156), wk = 0.0028571 k( 155) = ( 0.2998146 0.3000001 0.3573156), wk = 0.0028571 k( 156) = ( 0.2887103 0.2888889 0.3573156), wk = 0.0028571 k( 157) = ( 0.2776061 0.2777778 0.3573156), wk = 0.0028571 k( 158) = ( 0.2665018 0.2666667 0.3573156), wk = 0.0028571 k( 159) = ( 0.2553976 0.2555556 0.3573156), wk = 0.0028571 k( 160) = ( 0.2442933 0.2444445 0.3573156), wk = 0.0028571 k( 161) = ( 0.2331891 0.2333334 0.3573156), wk = 0.0028571 k( 162) = ( 0.2220849 0.2222223 0.3573156), wk = 0.0028571 k( 163) = ( 0.2109806 0.2111111 0.3573156), wk = 0.0028571 k( 164) = ( 0.1998764 0.2000000 0.3573156), wk = 0.0028571 k( 165) = ( 0.1887721 0.1888889 0.3573156), wk = 0.0028571 k( 166) = ( 0.1776679 0.1777778 0.3573156), wk = 0.0028571 k( 167) = ( 0.1665636 0.1666667 0.3573156), wk = 0.0028571 k( 168) = ( 0.1554594 0.1555556 0.3573156), wk = 0.0028571 k( 169) = ( 0.1443552 0.1444445 0.3573156), wk = 0.0028571 k( 170) = ( 0.1332509 0.1333334 0.3573156), wk = 0.0028571 k( 171) = ( 0.1221467 0.1222222 0.3573156), wk = 0.0028571 k( 172) = ( 0.1110424 0.1111111 0.3573156), wk = 0.0028571 k( 173) = ( 0.0999382 0.1000000 0.3573156), wk = 0.0028571 k( 174) = ( 0.0888339 0.0888889 0.3573156), wk = 0.0028571 k( 175) = ( 0.0777297 0.0777778 0.3573156), wk = 0.0028571 k( 176) = ( 0.0666255 0.0666667 0.3573156), wk = 0.0028571 k( 177) = ( 0.0555212 0.0555556 0.3573156), wk = 0.0028571 k( 178) = ( 0.0444170 0.0444445 0.3573156), wk = 0.0028571 k( 179) = ( 0.0333127 0.0333333 0.3573156), wk = 0.0028571 k( 180) = ( 0.0222085 0.0222222 0.3573156), wk = 0.0028571 k( 181) = ( 0.0111042 0.0111111 0.3573156), wk = 0.0028571 k( 182) = ( 0.0000000 0.0000000 0.3573156), wk = 0.0028571 k( 183) = ( 0.0000000 0.0000000 0.3573156), wk = 0.0028571 k( 184) = ( 0.0000000 0.0000000 0.3417801), wk = 0.0028571 k( 185) = ( 0.0000000 0.0000000 0.3262447), wk = 0.0028571 k( 186) = ( 0.0000000 0.0000000 0.3107092), wk = 0.0028571 k( 187) = ( 0.0000000 0.0000000 0.2951737), wk = 0.0028571 k( 188) = ( 0.0000000 0.0000000 0.2796383), wk = 0.0028571 k( 189) = ( 0.0000000 0.0000000 0.2641028), wk = 0.0028571 k( 190) = ( 0.0000000 0.0000000 0.2485674), wk = 0.0028571 k( 191) = ( 0.0000000 0.0000000 0.2330319), wk = 0.0028571 k( 192) = ( 0.0000000 0.0000000 0.2174964), wk = 0.0028571 k( 193) = ( 0.0000000 0.0000000 0.2019610), wk = 0.0028571 k( 194) = ( 0.0000000 0.0000000 0.1864255), wk = 0.0028571 k( 195) = ( 0.0000000 0.0000000 0.1708901), wk = 0.0028571 k( 196) = ( 0.0000000 0.0000000 0.1553546), wk = 0.0028571 k( 197) = ( 0.0000000 0.0000000 0.1398191), wk = 0.0028571 k( 198) = ( 0.0000000 0.0000000 0.1242837), wk = 0.0028571 k( 199) = ( 0.0000000 0.0000000 0.1087482), wk = 0.0028571 k( 200) = ( 0.0000000 0.0000000 0.0932128), wk = 0.0028571 k( 201) = ( 0.0000000 0.0000000 0.0776773), wk = 0.0028571 k( 202) = ( 0.0000000 0.0000000 0.0621418), wk = 0.0028571 k( 203) = ( 0.0000000 0.0000000 0.0466064), wk = 0.0028571 k( 204) = ( 0.0000000 0.0000000 0.0310709), wk = 0.0028571 k( 205) = ( 0.0000000 0.0000000 0.0155355), wk = 0.0028571 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 208) = ( -0.0111111 0.0111042 -0.0000000), wk = 0.0028571 k( 209) = ( -0.0222222 0.0222085 -0.0000000), wk = 0.0028571 k( 210) = ( -0.0333333 0.0333127 -0.0000000), wk = 0.0028571 k( 211) = ( -0.0444444 0.0444170 -0.0000000), wk = 0.0028571 k( 212) = ( -0.0555556 0.0555212 0.0000000), wk = 0.0028571 k( 213) = ( -0.0666667 0.0666254 -0.0000000), wk = 0.0028571 k( 214) = ( -0.0777778 0.0777297 -0.0000000), wk = 0.0028571 k( 215) = ( -0.0888889 0.0888339 -0.0000000), wk = 0.0028571 k( 216) = ( -0.1000000 0.0999382 -0.0000000), wk = 0.0028571 k( 217) = ( -0.1111111 0.1110424 0.0000000), wk = 0.0028571 k( 218) = ( -0.1222222 0.1221466 -0.0000000), wk = 0.0028571 k( 219) = ( -0.1333333 0.1332509 -0.0000000), wk = 0.0028571 k( 220) = ( -0.1444444 0.1443551 -0.0000000), wk = 0.0028571 k( 221) = ( -0.1555556 0.1554594 -0.0000000), wk = 0.0028571 k( 222) = ( -0.1666667 0.1665636 -0.0000000), wk = 0.0028571 k( 223) = ( -0.1777778 0.1776679 -0.0000000), wk = 0.0028571 k( 224) = ( -0.1888889 0.1887721 0.0000000), wk = 0.0028571 k( 225) = ( -0.2000000 0.1998763 -0.0000000), wk = 0.0028571 k( 226) = ( -0.2111111 0.2109806 -0.0000000), wk = 0.0028571 k( 227) = ( -0.2222222 0.2220848 0.0000000), wk = 0.0028571 k( 228) = ( -0.2333333 0.2331891 -0.0000000), wk = 0.0028571 k( 229) = ( -0.2444444 0.2442933 -0.0000000), wk = 0.0028571 k( 230) = ( -0.2555556 0.2553975 -0.0000000), wk = 0.0028571 k( 231) = ( -0.2666667 0.2665018 -0.0000000), wk = 0.0028571 k( 232) = ( -0.2777778 0.2776060 0.0000000), wk = 0.0028571 k( 233) = ( -0.2888889 0.2887103 0.0000000), wk = 0.0028571 k( 234) = ( -0.3000000 0.2998145 -0.0000000), wk = 0.0028571 k( 235) = ( -0.3111111 0.3109187 -0.0000000), wk = 0.0028571 k( 236) = ( -0.3222222 0.3220230 -0.0000000), wk = 0.0028571 k( 237) = ( -0.3333333 0.3331272 -0.0000000), wk = 0.0028571 k( 238) = ( -0.3444444 0.3442315 0.0000000), wk = 0.0028571 k( 239) = ( -0.3555556 0.3553357 -0.0000000), wk = 0.0028571 k( 240) = ( -0.3666667 0.3664399 0.0000000), wk = 0.0028571 k( 241) = ( -0.3777778 0.3775442 0.0000000), wk = 0.0028571 k( 242) = ( -0.3888889 0.3886484 -0.0000000), wk = 0.0028571 k( 243) = ( -0.4000000 0.3997527 -0.0000000), wk = 0.0028571 k( 244) = ( -0.4111111 0.4108569 -0.0000000), wk = 0.0028571 k( 245) = ( -0.4222222 0.4219611 -0.0000000), wk = 0.0028571 k( 246) = ( -0.4333333 0.4330654 -0.0000000), wk = 0.0028571 k( 247) = ( -0.4444444 0.4441696 0.0000000), wk = 0.0028571 k( 248) = ( -0.4555556 0.4552739 0.0000000), wk = 0.0028571 k( 249) = ( -0.4666667 0.4663781 -0.0000000), wk = 0.0028571 k( 250) = ( -0.4777778 0.4774824 -0.0000000), wk = 0.0028571 k( 251) = ( -0.4888889 0.4885866 -0.0000000), wk = 0.0028571 k( 252) = ( -0.5000000 0.4996908 -0.0000000), wk = 0.0028571 k( 253) = ( -0.5000000 0.4996908 -0.0000000), wk = 0.0028571 k( 254) = ( -0.4996909 0.5000001 -0.0000000), wk = 0.0028571 k( 255) = ( -0.4996909 0.5000001 -0.0000000), wk = 0.0028571 k( 256) = ( -0.4996909 0.5000001 0.0155355), wk = 0.0028571 k( 257) = ( -0.4996909 0.5000001 0.0310709), wk = 0.0028571 k( 258) = ( -0.4996909 0.5000001 0.0466064), wk = 0.0028571 k( 259) = ( -0.4996909 0.5000001 0.0621418), wk = 0.0028571 k( 260) = ( -0.4996909 0.5000001 0.0776773), wk = 0.0028571 k( 261) = ( -0.4996909 0.5000001 0.0932128), wk = 0.0028571 k( 262) = ( -0.4996909 0.5000001 0.1087482), wk = 0.0028571 k( 263) = ( -0.4996909 0.5000001 0.1242837), wk = 0.0028571 k( 264) = ( -0.4996909 0.5000001 0.1398191), wk = 0.0028571 k( 265) = ( -0.4996909 0.5000001 0.1553546), wk = 0.0028571 k( 266) = ( -0.4996909 0.5000001 0.1708901), wk = 0.0028571 k( 267) = ( -0.4996909 0.5000001 0.1864255), wk = 0.0028571 k( 268) = ( -0.4996909 0.5000001 0.2019610), wk = 0.0028571 k( 269) = ( -0.4996909 0.5000001 0.2174964), wk = 0.0028571 k( 270) = ( -0.4996909 0.5000001 0.2330319), wk = 0.0028571 k( 271) = ( -0.4996909 0.5000001 0.2485674), wk = 0.0028571 k( 272) = ( -0.4996909 0.5000001 0.2641028), wk = 0.0028571 k( 273) = ( -0.4996909 0.5000001 0.2796383), wk = 0.0028571 k( 274) = ( -0.4996909 0.5000001 0.2951737), wk = 0.0028571 k( 275) = ( -0.4996909 0.5000001 0.3107092), wk = 0.0028571 k( 276) = ( -0.4996909 0.5000001 0.3262447), wk = 0.0028571 k( 277) = ( -0.4996909 0.5000001 0.3417801), wk = 0.0028571 k( 278) = ( -0.4996909 0.5000001 0.3573156), wk = 0.0028571 k( 279) = ( -0.4996909 0.5000001 0.3573156), wk = 0.0028571 k( 280) = ( -0.5000000 0.4996908 0.3573156), wk = 0.0028571 k( 281) = ( -0.5000000 0.4996908 0.3573156), wk = 0.0028571 k( 282) = ( -0.5000000 0.4996908 0.3417801), wk = 0.0028571 k( 283) = ( -0.5000000 0.4996908 0.3262447), wk = 0.0028571 k( 284) = ( -0.5000000 0.4996908 0.3107092), wk = 0.0028571 k( 285) = ( -0.5000000 0.4996908 0.2951737), wk = 0.0028571 k( 286) = ( -0.5000000 0.4996908 0.2796383), wk = 0.0028571 k( 287) = ( -0.5000000 0.4996908 0.2641028), wk = 0.0028571 k( 288) = ( -0.5000000 0.4996908 0.2485674), wk = 0.0028571 k( 289) = ( -0.5000000 0.4996908 0.2330319), wk = 0.0028571 k( 290) = ( -0.5000000 0.4996908 0.2174964), wk = 0.0028571 k( 291) = ( -0.5000000 0.4996908 0.2019610), wk = 0.0028571 k( 292) = ( -0.5000000 0.4996908 0.1864255), wk = 0.0028571 k( 293) = ( -0.5000000 0.4996908 0.1708901), wk = 0.0028571 k( 294) = ( -0.5000000 0.4996908 0.1553546), wk = 0.0028571 k( 295) = ( -0.5000000 0.4996908 0.1398191), wk = 0.0028571 k( 296) = ( -0.5000000 0.4996908 0.1242837), wk = 0.0028571 k( 297) = ( -0.5000000 0.4996908 0.1087482), wk = 0.0028571 k( 298) = ( -0.5000000 0.4996908 0.0932128), wk = 0.0028571 k( 299) = ( -0.5000000 0.4996908 0.0776773), wk = 0.0028571 k( 300) = ( -0.5000000 0.4996908 0.0621418), wk = 0.0028571 k( 301) = ( -0.5000000 0.4996908 0.0466064), wk = 0.0028571 k( 302) = ( -0.5000000 0.4996908 0.0310709), wk = 0.0028571 k( 303) = ( -0.5000000 0.4996908 0.0155355), wk = 0.0028571 k( 304) = ( -0.5000000 0.4996908 -0.0000000), wk = 0.0028571 k( 305) = ( 0.0000000 0.0000000 0.3573156), wk = 0.0028571 k( 306) = ( -0.0111111 0.0111042 0.3573156), wk = 0.0028571 k( 307) = ( -0.0222222 0.0222085 0.3573156), wk = 0.0028571 k( 308) = ( -0.0333333 0.0333127 0.3573156), wk = 0.0028571 k( 309) = ( -0.0444444 0.0444170 0.3573156), wk = 0.0028571 k( 310) = ( -0.0555556 0.0555212 0.3573156), wk = 0.0028571 k( 311) = ( -0.0666667 0.0666254 0.3573156), wk = 0.0028571 k( 312) = ( -0.0777778 0.0777297 0.3573156), wk = 0.0028571 k( 313) = ( -0.0888889 0.0888339 0.3573156), wk = 0.0028571 k( 314) = ( -0.1000000 0.0999382 0.3573156), wk = 0.0028571 k( 315) = ( -0.1111111 0.1110424 0.3573156), wk = 0.0028571 k( 316) = ( -0.1222222 0.1221466 0.3573156), wk = 0.0028571 k( 317) = ( -0.1333333 0.1332509 0.3573156), wk = 0.0028571 k( 318) = ( -0.1444444 0.1443551 0.3573156), wk = 0.0028571 k( 319) = ( -0.1555556 0.1554594 0.3573156), wk = 0.0028571 k( 320) = ( -0.1666667 0.1665636 0.3573156), wk = 0.0028571 k( 321) = ( -0.1777778 0.1776679 0.3573156), wk = 0.0028571 k( 322) = ( -0.1888889 0.1887721 0.3573156), wk = 0.0028571 k( 323) = ( -0.2000000 0.1998763 0.3573156), wk = 0.0028571 k( 324) = ( -0.2111111 0.2109806 0.3573156), wk = 0.0028571 k( 325) = ( -0.2222222 0.2220848 0.3573156), wk = 0.0028571 k( 326) = ( -0.2333333 0.2331891 0.3573156), wk = 0.0028571 k( 327) = ( -0.2444444 0.2442933 0.3573156), wk = 0.0028571 k( 328) = ( -0.2555556 0.2553975 0.3573156), wk = 0.0028571 k( 329) = ( -0.2666667 0.2665018 0.3573156), wk = 0.0028571 k( 330) = ( -0.2777778 0.2776060 0.3573156), wk = 0.0028571 k( 331) = ( -0.2888889 0.2887103 0.3573156), wk = 0.0028571 k( 332) = ( -0.3000000 0.2998145 0.3573156), wk = 0.0028571 k( 333) = ( -0.3111111 0.3109187 0.3573156), wk = 0.0028571 k( 334) = ( -0.3222222 0.3220230 0.3573156), wk = 0.0028571 k( 335) = ( -0.3333333 0.3331272 0.3573156), wk = 0.0028571 k( 336) = ( -0.3444444 0.3442315 0.3573156), wk = 0.0028571 k( 337) = ( -0.3555556 0.3553357 0.3573156), wk = 0.0028571 k( 338) = ( -0.3666667 0.3664399 0.3573156), wk = 0.0028571 k( 339) = ( -0.3777778 0.3775442 0.3573156), wk = 0.0028571 k( 340) = ( -0.3888889 0.3886484 0.3573156), wk = 0.0028571 k( 341) = ( -0.4000000 0.3997527 0.3573156), wk = 0.0028571 k( 342) = ( -0.4111111 0.4108569 0.3573156), wk = 0.0028571 k( 343) = ( -0.4222222 0.4219611 0.3573156), wk = 0.0028571 k( 344) = ( -0.4333333 0.4330654 0.3573156), wk = 0.0028571 k( 345) = ( -0.4444444 0.4441696 0.3573156), wk = 0.0028571 k( 346) = ( -0.4555556 0.4552739 0.3573156), wk = 0.0028571 k( 347) = ( -0.4666667 0.4663781 0.3573156), wk = 0.0028571 k( 348) = ( -0.4777778 0.4774824 0.3573156), wk = 0.0028571 k( 349) = ( -0.4888889 0.4885866 0.3573156), wk = 0.0028571 k( 350) = ( -0.5000000 0.4996908 0.3573156), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0111042 0.0111042 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0222085 0.0222085 0.0000000), wk = 0.0028571 k( 4) = ( 0.0333127 0.0333127 0.0000000), wk = 0.0028571 k( 5) = ( 0.0444170 0.0444170 0.0000000), wk = 0.0028571 k( 6) = ( 0.0555212 0.0555212 0.0000000), wk = 0.0028571 k( 7) = ( 0.0666255 0.0666255 0.0000000), wk = 0.0028571 k( 8) = ( 0.0777297 0.0777297 0.0000000), wk = 0.0028571 k( 9) = ( 0.0888339 0.0888339 0.0000000), wk = 0.0028571 k( 10) = ( 0.0999382 0.0999382 0.0000000), wk = 0.0028571 k( 11) = ( 0.1110424 0.1110424 0.0000000), wk = 0.0028571 k( 12) = ( 0.1221467 0.1221467 0.0000000), wk = 0.0028571 k( 13) = ( 0.1332509 0.1332509 0.0000000), wk = 0.0028571 k( 14) = ( 0.1443552 0.1443552 0.0000000), wk = 0.0028571 k( 15) = ( 0.1554594 0.1554594 0.0000000), wk = 0.0028571 k( 16) = ( 0.1665636 0.1665636 0.0000000), wk = 0.0028571 k( 17) = ( 0.1776679 0.1776679 0.0000000), wk = 0.0028571 k( 18) = ( 0.1887721 0.1887721 0.0000000), wk = 0.0028571 k( 19) = ( 0.1998764 0.1998764 0.0000000), wk = 0.0028571 k( 20) = ( 0.2109806 0.2109806 0.0000000), wk = 0.0028571 k( 21) = ( 0.2220849 0.2220849 0.0000000), wk = 0.0028571 k( 22) = ( 0.2331891 0.2331891 0.0000000), wk = 0.0028571 k( 23) = ( 0.2442933 0.2442933 0.0000000), wk = 0.0028571 k( 24) = ( 0.2553976 0.2553976 0.0000000), wk = 0.0028571 k( 25) = ( 0.2665018 0.2665018 0.0000000), wk = 0.0028571 k( 26) = ( 0.2776061 0.2776061 0.0000000), wk = 0.0028571 k( 27) = ( 0.2887103 0.2887103 0.0000000), wk = 0.0028571 k( 28) = ( 0.2998146 0.2998146 0.0000000), wk = 0.0028571 k( 29) = ( 0.3109188 0.3109188 0.0000000), wk = 0.0028571 k( 30) = ( 0.3220230 0.3220230 0.0000000), wk = 0.0028571 k( 31) = ( 0.3331273 0.3331273 0.0000000), wk = 0.0028571 k( 32) = ( 0.3442315 0.3442315 0.0000000), wk = 0.0028571 k( 33) = ( 0.3553358 0.3553358 0.0000000), wk = 0.0028571 k( 34) = ( 0.3664400 0.3664400 0.0000000), wk = 0.0028571 k( 35) = ( 0.3775443 0.3775443 0.0000000), wk = 0.0028571 k( 36) = ( 0.3886485 0.3886485 0.0000000), wk = 0.0028571 k( 37) = ( 0.3997527 0.3997527 0.0000000), wk = 0.0028571 k( 38) = ( 0.4108570 0.4108570 0.0000000), wk = 0.0028571 k( 39) = ( 0.4219612 0.4219612 0.0000000), wk = 0.0028571 k( 40) = ( 0.4330655 0.4330655 -0.0000000), wk = 0.0028571 k( 41) = ( 0.4441697 0.4441697 0.0000000), wk = 0.0028571 k( 42) = ( 0.4552740 0.4552740 0.0000000), wk = 0.0028571 k( 43) = ( 0.4663782 0.4663782 0.0000000), wk = 0.0028571 k( 44) = ( 0.4774824 0.4774824 0.0000000), wk = 0.0028571 k( 45) = ( 0.4885867 0.4885867 0.0000000), wk = 0.0028571 k( 46) = ( 0.4996909 0.4996909 0.0000000), wk = 0.0028571 k( 47) = ( 0.4996909 0.4996909 0.0000000), wk = 0.0028571 k( 48) = ( 0.4840756 0.4997006 0.0000000), wk = 0.0028571 k( 49) = ( 0.4684603 0.4997102 0.0000000), wk = 0.0028571 k( 50) = ( 0.4528449 0.4997199 0.0000000), wk = 0.0028571 k( 51) = ( 0.4372296 0.4997296 0.0000000), wk = 0.0028571 k( 52) = ( 0.4216142 0.4997392 0.0000000), wk = 0.0028571 k( 53) = ( 0.4059989 0.4997489 0.0000000), wk = 0.0028571 k( 54) = ( 0.3903835 0.4997585 0.0000000), wk = 0.0028571 k( 55) = ( 0.3747682 0.4997682 0.0000000), wk = 0.0028571 k( 56) = ( 0.3591529 0.4997779 0.0000000), wk = 0.0028571 k( 57) = ( 0.3435375 0.4997875 0.0000000), wk = 0.0028571 k( 58) = ( 0.3279222 0.4997972 0.0000000), wk = 0.0028571 k( 59) = ( 0.3123068 0.4998068 0.0000000), wk = 0.0028571 k( 60) = ( 0.2966915 0.4998165 0.0000000), wk = 0.0028571 k( 61) = ( 0.2810762 0.4998261 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2654608 0.4998358 0.0000000), wk = 0.0028571 k( 63) = ( 0.2498455 0.4998455 0.0000000), wk = 0.0028571 k( 64) = ( 0.2342301 0.4998551 0.0000000), wk = 0.0028571 k( 65) = ( 0.2186148 0.4998648 0.0000000), wk = 0.0028571 k( 66) = ( 0.2029994 0.4998744 -0.0000000), wk = 0.0028571 k( 67) = ( 0.1873841 0.4998841 0.0000000), wk = 0.0028571 k( 68) = ( 0.1717688 0.4998938 -0.0000000), wk = 0.0028571 k( 69) = ( 0.1561534 0.4999034 0.0000000), wk = 0.0028571 k( 70) = ( 0.1405381 0.4999131 0.0000000), wk = 0.0028571 k( 71) = ( 0.1249227 0.4999227 0.0000000), wk = 0.0028571 k( 72) = ( 0.1093074 0.4999324 0.0000000), wk = 0.0028571 k( 73) = ( 0.0936920 0.4999420 -0.0000000), wk = 0.0028571 k( 74) = ( 0.0780767 0.4999517 0.0000000), wk = 0.0028571 k( 75) = ( 0.0624614 0.4999614 -0.0000000), wk = 0.0028571 k( 76) = ( 0.0468460 0.4999710 -0.0000000), wk = 0.0028571 k( 77) = ( 0.0312307 0.4999807 0.0000000), wk = 0.0028571 k( 78) = ( 0.0156153 0.4999903 0.0000000), wk = 0.0028571 k( 79) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 80) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 81) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0028571 k( 82) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0028571 k( 83) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0028571 k( 84) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0028571 k( 85) = ( 0.0000000 0.5000000 0.1086956), wk = 0.0028571 k( 86) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0028571 k( 87) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0028571 k( 88) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0028571 k( 89) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0028571 k( 90) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0028571 k( 91) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0028571 k( 92) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0028571 k( 93) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0028571 k( 94) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0028571 k( 95) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0028571 k( 96) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0028571 k( 97) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0028571 k( 98) = ( 0.0000000 0.5000000 0.3913043), wk = 0.0028571 k( 99) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0028571 k( 100) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0028571 k( 101) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0028571 k( 102) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0028571 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 105) = ( 0.0156153 0.4999903 0.5000000), wk = 0.0028571 k( 106) = ( 0.0312307 0.4999807 0.5000000), wk = 0.0028571 k( 107) = ( 0.0468460 0.4999710 0.5000000), wk = 0.0028571 k( 108) = ( 0.0624614 0.4999614 0.5000000), wk = 0.0028571 k( 109) = ( 0.0780767 0.4999517 0.5000000), wk = 0.0028571 k( 110) = ( 0.0936920 0.4999420 0.5000000), wk = 0.0028571 k( 111) = ( 0.1093074 0.4999324 0.5000000), wk = 0.0028571 k( 112) = ( 0.1249227 0.4999227 0.5000000), wk = 0.0028571 k( 113) = ( 0.1405381 0.4999131 0.5000000), wk = 0.0028571 k( 114) = ( 0.1561534 0.4999034 0.5000000), wk = 0.0028571 k( 115) = ( 0.1717688 0.4998938 0.5000000), wk = 0.0028571 k( 116) = ( 0.1873841 0.4998841 0.5000000), wk = 0.0028571 k( 117) = ( 0.2029994 0.4998744 0.5000000), wk = 0.0028571 k( 118) = ( 0.2186148 0.4998648 0.5000000), wk = 0.0028571 k( 119) = ( 0.2342301 0.4998551 0.5000000), wk = 0.0028571 k( 120) = ( 0.2498455 0.4998455 0.5000000), wk = 0.0028571 k( 121) = ( 0.2654608 0.4998358 0.5000000), wk = 0.0028571 k( 122) = ( 0.2810762 0.4998261 0.5000000), wk = 0.0028571 k( 123) = ( 0.2966915 0.4998165 0.5000000), wk = 0.0028571 k( 124) = ( 0.3123068 0.4998068 0.5000000), wk = 0.0028571 k( 125) = ( 0.3279222 0.4997972 0.5000000), wk = 0.0028571 k( 126) = ( 0.3435375 0.4997875 0.5000000), wk = 0.0028571 k( 127) = ( 0.3591529 0.4997779 0.5000000), wk = 0.0028571 k( 128) = ( 0.3747682 0.4997682 0.5000000), wk = 0.0028571 k( 129) = ( 0.3903835 0.4997585 0.5000000), wk = 0.0028571 k( 130) = ( 0.4059989 0.4997489 0.5000000), wk = 0.0028571 k( 131) = ( 0.4216142 0.4997392 0.5000000), wk = 0.0028571 k( 132) = ( 0.4372296 0.4997296 0.5000000), wk = 0.0028571 k( 133) = ( 0.4528449 0.4997199 0.5000000), wk = 0.0028571 k( 134) = ( 0.4684603 0.4997102 0.5000000), wk = 0.0028571 k( 135) = ( 0.4840756 0.4997006 0.5000000), wk = 0.0028571 k( 136) = ( 0.4996909 0.4996909 0.5000000), wk = 0.0028571 k( 137) = ( 0.4996909 0.4996909 0.5000000), wk = 0.0028571 k( 138) = ( 0.4885867 0.4885867 0.5000000), wk = 0.0028571 k( 139) = ( 0.4774824 0.4774824 0.5000000), wk = 0.0028571 k( 140) = ( 0.4663782 0.4663782 0.5000000), wk = 0.0028571 k( 141) = ( 0.4552740 0.4552740 0.5000000), wk = 0.0028571 k( 142) = ( 0.4441697 0.4441697 0.5000000), wk = 0.0028571 k( 143) = ( 0.4330655 0.4330655 0.5000000), wk = 0.0028571 k( 144) = ( 0.4219612 0.4219612 0.5000000), wk = 0.0028571 k( 145) = ( 0.4108570 0.4108570 0.5000000), wk = 0.0028571 k( 146) = ( 0.3997527 0.3997527 0.5000000), wk = 0.0028571 k( 147) = ( 0.3886485 0.3886485 0.5000000), wk = 0.0028571 k( 148) = ( 0.3775443 0.3775443 0.5000000), wk = 0.0028571 k( 149) = ( 0.3664400 0.3664400 0.5000000), wk = 0.0028571 k( 150) = ( 0.3553358 0.3553358 0.5000000), wk = 0.0028571 k( 151) = ( 0.3442315 0.3442315 0.5000000), wk = 0.0028571 k( 152) = ( 0.3331273 0.3331273 0.5000000), wk = 0.0028571 k( 153) = ( 0.3220230 0.3220230 0.5000000), wk = 0.0028571 k( 154) = ( 0.3109188 0.3109188 0.5000000), wk = 0.0028571 k( 155) = ( 0.2998146 0.2998146 0.5000000), wk = 0.0028571 k( 156) = ( 0.2887103 0.2887103 0.5000000), wk = 0.0028571 k( 157) = ( 0.2776061 0.2776061 0.5000000), wk = 0.0028571 k( 158) = ( 0.2665018 0.2665018 0.5000000), wk = 0.0028571 k( 159) = ( 0.2553976 0.2553976 0.5000000), wk = 0.0028571 k( 160) = ( 0.2442933 0.2442933 0.5000000), wk = 0.0028571 k( 161) = ( 0.2331891 0.2331891 0.5000000), wk = 0.0028571 k( 162) = ( 0.2220849 0.2220849 0.5000000), wk = 0.0028571 k( 163) = ( 0.2109806 0.2109806 0.5000000), wk = 0.0028571 k( 164) = ( 0.1998764 0.1998764 0.5000000), wk = 0.0028571 k( 165) = ( 0.1887721 0.1887721 0.5000000), wk = 0.0028571 k( 166) = ( 0.1776679 0.1776679 0.5000000), wk = 0.0028571 k( 167) = ( 0.1665636 0.1665636 0.5000000), wk = 0.0028571 k( 168) = ( 0.1554594 0.1554594 0.5000000), wk = 0.0028571 k( 169) = ( 0.1443552 0.1443552 0.5000000), wk = 0.0028571 k( 170) = ( 0.1332509 0.1332509 0.5000000), wk = 0.0028571 k( 171) = ( 0.1221467 0.1221467 0.5000000), wk = 0.0028571 k( 172) = ( 0.1110424 0.1110424 0.5000000), wk = 0.0028571 k( 173) = ( 0.0999382 0.0999382 0.5000000), wk = 0.0028571 k( 174) = ( 0.0888339 0.0888339 0.5000000), wk = 0.0028571 k( 175) = ( 0.0777297 0.0777297 0.5000000), wk = 0.0028571 k( 176) = ( 0.0666255 0.0666255 0.5000000), wk = 0.0028571 k( 177) = ( 0.0555212 0.0555212 0.5000000), wk = 0.0028571 k( 178) = ( 0.0444170 0.0444170 0.5000000), wk = 0.0028571 k( 179) = ( 0.0333127 0.0333127 0.5000000), wk = 0.0028571 k( 180) = ( 0.0222085 0.0222085 0.5000000), wk = 0.0028571 k( 181) = ( 0.0111042 0.0111042 0.5000000), wk = 0.0028571 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 183) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 184) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0028571 k( 185) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0028571 k( 186) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0028571 k( 187) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0028571 k( 188) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0028571 k( 189) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0028571 k( 190) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0028571 k( 191) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0028571 k( 192) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0028571 k( 193) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0028571 k( 194) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0028571 k( 195) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0028571 k( 196) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0028571 k( 197) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0028571 k( 198) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0028571 k( 199) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0028571 k( 200) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0028571 k( 201) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0028571 k( 202) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0028571 k( 203) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0028571 k( 204) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0028571 k( 205) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0028571 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 208) = ( -0.0111111 0.0111111 -0.0000000), wk = 0.0028571 k( 209) = ( -0.0222222 0.0222222 -0.0000000), wk = 0.0028571 k( 210) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0028571 k( 211) = ( -0.0444444 0.0444444 -0.0000000), wk = 0.0028571 k( 212) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0028571 k( 213) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0028571 k( 214) = ( -0.0777778 0.0777778 -0.0000000), wk = 0.0028571 k( 215) = ( -0.0888889 0.0888889 -0.0000000), wk = 0.0028571 k( 216) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0028571 k( 217) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0028571 k( 218) = ( -0.1222222 0.1222222 -0.0000000), wk = 0.0028571 k( 219) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0028571 k( 220) = ( -0.1444444 0.1444444 -0.0000000), wk = 0.0028571 k( 221) = ( -0.1555556 0.1555556 -0.0000000), wk = 0.0028571 k( 222) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0028571 k( 223) = ( -0.1777778 0.1777778 -0.0000000), wk = 0.0028571 k( 224) = ( -0.1888889 0.1888889 0.0000000), wk = 0.0028571 k( 225) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0028571 k( 226) = ( -0.2111111 0.2111111 -0.0000000), wk = 0.0028571 k( 227) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0028571 k( 228) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0028571 k( 229) = ( -0.2444444 0.2444444 -0.0000000), wk = 0.0028571 k( 230) = ( -0.2555556 0.2555556 -0.0000000), wk = 0.0028571 k( 231) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0028571 k( 232) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0028571 k( 233) = ( -0.2888889 0.2888889 0.0000000), wk = 0.0028571 k( 234) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0028571 k( 235) = ( -0.3111111 0.3111111 -0.0000000), wk = 0.0028571 k( 236) = ( -0.3222222 0.3222222 -0.0000000), wk = 0.0028571 k( 237) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0028571 k( 238) = ( -0.3444444 0.3444444 0.0000000), wk = 0.0028571 k( 239) = ( -0.3555556 0.3555556 -0.0000000), wk = 0.0028571 k( 240) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0028571 k( 241) = ( -0.3777778 0.3777778 0.0000000), wk = 0.0028571 k( 242) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0028571 k( 243) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0028571 k( 244) = ( -0.4111111 0.4111111 -0.0000000), wk = 0.0028571 k( 245) = ( -0.4222222 0.4222222 -0.0000000), wk = 0.0028571 k( 246) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0028571 k( 247) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0028571 k( 248) = ( -0.4555556 0.4555556 0.0000000), wk = 0.0028571 k( 249) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0028571 k( 250) = ( -0.4777778 0.4777778 -0.0000000), wk = 0.0028571 k( 251) = ( -0.4888889 0.4888889 -0.0000000), wk = 0.0028571 k( 252) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 253) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 254) = ( -0.4996909 0.5003091 -0.0000000), wk = 0.0028571 k( 255) = ( -0.4996909 0.5003091 -0.0000000), wk = 0.0028571 k( 256) = ( -0.4996909 0.5003091 0.0217391), wk = 0.0028571 k( 257) = ( -0.4996909 0.5003091 0.0434783), wk = 0.0028571 k( 258) = ( -0.4996909 0.5003091 0.0652174), wk = 0.0028571 k( 259) = ( -0.4996909 0.5003091 0.0869565), wk = 0.0028571 k( 260) = ( -0.4996909 0.5003091 0.1086957), wk = 0.0028571 k( 261) = ( -0.4996909 0.5003091 0.1304348), wk = 0.0028571 k( 262) = ( -0.4996909 0.5003091 0.1521739), wk = 0.0028571 k( 263) = ( -0.4996909 0.5003091 0.1739130), wk = 0.0028571 k( 264) = ( -0.4996909 0.5003091 0.1956522), wk = 0.0028571 k( 265) = ( -0.4996909 0.5003091 0.2173913), wk = 0.0028571 k( 266) = ( -0.4996909 0.5003091 0.2391304), wk = 0.0028571 k( 267) = ( -0.4996909 0.5003091 0.2608696), wk = 0.0028571 k( 268) = ( -0.4996909 0.5003091 0.2826087), wk = 0.0028571 k( 269) = ( -0.4996909 0.5003091 0.3043478), wk = 0.0028571 k( 270) = ( -0.4996909 0.5003091 0.3260870), wk = 0.0028571 k( 271) = ( -0.4996909 0.5003091 0.3478261), wk = 0.0028571 k( 272) = ( -0.4996909 0.5003091 0.3695652), wk = 0.0028571 k( 273) = ( -0.4996909 0.5003091 0.3913043), wk = 0.0028571 k( 274) = ( -0.4996909 0.5003091 0.4130435), wk = 0.0028571 k( 275) = ( -0.4996909 0.5003091 0.4347826), wk = 0.0028571 k( 276) = ( -0.4996909 0.5003091 0.4565217), wk = 0.0028571 k( 277) = ( -0.4996909 0.5003091 0.4782609), wk = 0.0028571 k( 278) = ( -0.4996909 0.5003091 0.5000000), wk = 0.0028571 k( 279) = ( -0.4996909 0.5003091 0.5000000), wk = 0.0028571 k( 280) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 281) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 282) = ( -0.5000000 0.5000000 0.4782609), wk = 0.0028571 k( 283) = ( -0.5000000 0.5000000 0.4565217), wk = 0.0028571 k( 284) = ( -0.5000000 0.5000000 0.4347826), wk = 0.0028571 k( 285) = ( -0.5000000 0.5000000 0.4130435), wk = 0.0028571 k( 286) = ( -0.5000000 0.5000000 0.3913043), wk = 0.0028571 k( 287) = ( -0.5000000 0.5000000 0.3695652), wk = 0.0028571 k( 288) = ( -0.5000000 0.5000000 0.3478261), wk = 0.0028571 k( 289) = ( -0.5000000 0.5000000 0.3260870), wk = 0.0028571 k( 290) = ( -0.5000000 0.5000000 0.3043478), wk = 0.0028571 k( 291) = ( -0.5000000 0.5000000 0.2826087), wk = 0.0028571 k( 292) = ( -0.5000000 0.5000000 0.2608696), wk = 0.0028571 k( 293) = ( -0.5000000 0.5000000 0.2391304), wk = 0.0028571 k( 294) = ( -0.5000000 0.5000000 0.2173913), wk = 0.0028571 k( 295) = ( -0.5000000 0.5000000 0.1956522), wk = 0.0028571 k( 296) = ( -0.5000000 0.5000000 0.1739130), wk = 0.0028571 k( 297) = ( -0.5000000 0.5000000 0.1521739), wk = 0.0028571 k( 298) = ( -0.5000000 0.5000000 0.1304348), wk = 0.0028571 k( 299) = ( -0.5000000 0.5000000 0.1086957), wk = 0.0028571 k( 300) = ( -0.5000000 0.5000000 0.0869565), wk = 0.0028571 k( 301) = ( -0.5000000 0.5000000 0.0652174), wk = 0.0028571 k( 302) = ( -0.5000000 0.5000000 0.0434783), wk = 0.0028571 k( 303) = ( -0.5000000 0.5000000 0.0217391), wk = 0.0028571 k( 304) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 306) = ( -0.0111111 0.0111111 0.5000000), wk = 0.0028571 k( 307) = ( -0.0222222 0.0222222 0.5000000), wk = 0.0028571 k( 308) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0028571 k( 309) = ( -0.0444444 0.0444444 0.5000000), wk = 0.0028571 k( 310) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0028571 k( 311) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0028571 k( 312) = ( -0.0777778 0.0777778 0.5000000), wk = 0.0028571 k( 313) = ( -0.0888889 0.0888889 0.5000000), wk = 0.0028571 k( 314) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0028571 k( 315) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0028571 k( 316) = ( -0.1222222 0.1222222 0.5000000), wk = 0.0028571 k( 317) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0028571 k( 318) = ( -0.1444444 0.1444444 0.5000000), wk = 0.0028571 k( 319) = ( -0.1555556 0.1555556 0.5000000), wk = 0.0028571 k( 320) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0028571 k( 321) = ( -0.1777778 0.1777778 0.5000000), wk = 0.0028571 k( 322) = ( -0.1888889 0.1888889 0.5000000), wk = 0.0028571 k( 323) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0028571 k( 324) = ( -0.2111111 0.2111111 0.5000000), wk = 0.0028571 k( 325) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0028571 k( 326) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0028571 k( 327) = ( -0.2444444 0.2444444 0.5000000), wk = 0.0028571 k( 328) = ( -0.2555556 0.2555556 0.5000000), wk = 0.0028571 k( 329) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0028571 k( 330) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0028571 k( 331) = ( -0.2888889 0.2888889 0.5000000), wk = 0.0028571 k( 332) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0028571 k( 333) = ( -0.3111111 0.3111111 0.5000000), wk = 0.0028571 k( 334) = ( -0.3222222 0.3222222 0.5000000), wk = 0.0028571 k( 335) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0028571 k( 336) = ( -0.3444444 0.3444444 0.5000000), wk = 0.0028571 k( 337) = ( -0.3555556 0.3555556 0.5000000), wk = 0.0028571 k( 338) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0028571 k( 339) = ( -0.3777778 0.3777778 0.5000000), wk = 0.0028571 k( 340) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0028571 k( 341) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0028571 k( 342) = ( -0.4111111 0.4111111 0.5000000), wk = 0.0028571 k( 343) = ( -0.4222222 0.4222222 0.5000000), wk = 0.0028571 k( 344) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0028571 k( 345) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0028571 k( 346) = ( -0.4555556 0.4555556 0.5000000), wk = 0.0028571 k( 347) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0028571 k( 348) = ( -0.4777778 0.4777778 0.5000000), wk = 0.0028571 k( 349) = ( -0.4888889 0.4888889 0.5000000), wk = 0.0028571 k( 350) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028571 Dense grid: 118365 G-vectors FFT dimensions: ( 60, 60, 80) Smooth grid: 52459 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 288, 76) NL pseudopotentials 0.54 Mb ( 144, 248) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2464) G-vector shells 0.01 Mb ( 1256) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 288, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.58 Mb ( 248, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlPO4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.0 secs Computing kpt #: 2 total cpu time spent up to now is 61.3 secs Computing kpt #: 3 total cpu time spent up to now is 70.8 secs Computing kpt #: 4 total cpu time spent up to now is 80.7 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.5 secs Computing kpt #: 6 total cpu time spent up to now is 101.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.1 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.0 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.8 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.7 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.6 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.1 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.8 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.6 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.0 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.1 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.8 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.4 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 20 total cpu time spent up to now is 254.3 secs Computing kpt #: 21 total cpu time spent up to now is 264.1 secs Computing kpt #: 22 total cpu time spent up to now is 271.4 secs Computing kpt #: 23 total cpu time spent up to now is 280.1 secs Computing kpt #: 24 total cpu time spent up to now is 289.2 secs Computing kpt #: 25 total cpu time spent up to now is 297.7 secs Computing kpt #: 26 total cpu time spent up to now is 305.8 secs Computing kpt #: 27 total cpu time spent up to now is 314.7 secs Computing kpt #: 28 total cpu time spent up to now is 324.2 secs Computing kpt #: 29 total cpu time spent up to now is 333.4 secs Computing kpt #: 30 total cpu time spent up to now is 342.3 secs Computing kpt #: 31 total cpu time spent up to now is 351.2 secs Computing kpt #: 32 total cpu time spent up to now is 361.9 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.9 secs Computing kpt #: 34 total cpu time spent up to now is 383.6 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.8 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.1 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.3 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.4 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.9 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.9 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.1 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.2 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 484.3 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.4 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.2 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.3 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 529.3 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.5 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 551.7 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.3 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.5 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.0 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.3 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.6 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.9 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 631.4 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.7 secs Computing kpt #: 58 total cpu time spent up to now is 653.5 secs Computing kpt #: 59 total cpu time spent up to now is 663.9 secs Computing kpt #: 60 total cpu time spent up to now is 673.5 secs Computing kpt #: 61 total cpu time spent up to now is 682.7 secs Computing kpt #: 62 total cpu time spent up to now is 691.7 secs Computing kpt #: 63 total cpu time spent up to now is 700.3 secs Computing kpt #: 64 total cpu time spent up to now is 708.4 secs Computing kpt #: 65 total cpu time spent up to now is 716.5 secs Computing kpt #: 66 total cpu time spent up to now is 725.1 secs Computing kpt #: 67 total cpu time spent up to now is 733.4 secs Computing kpt #: 68 total cpu time spent up to now is 741.6 secs Computing kpt #: 69 total cpu time spent up to now is 749.9 secs Computing kpt #: 70 total cpu time spent up to now is 757.9 secs Computing kpt #: 71 total cpu time spent up to now is 766.5 secs Computing kpt #: 72 total cpu time spent up to now is 776.1 secs Computing kpt #: 73 total cpu time spent up to now is 786.2 secs Computing kpt #: 74 total cpu time spent up to now is 796.9 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 810.3 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 821.8 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 833.3 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 844.6 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.5 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 866.5 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.5 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 890.5 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.6 secs Computing kpt #: 84 total cpu time spent up to now is 913.5 secs Computing kpt #: 85 total cpu time spent up to now is 923.2 secs Computing kpt #: 86 total cpu time spent up to now is 932.9 secs Computing kpt #: 87 total cpu time spent up to now is 943.2 secs Computing kpt #: 88 total cpu time spent up to now is 952.1 secs Computing kpt #: 89 total cpu time spent up to now is 960.4 secs Computing kpt #: 90 total cpu time spent up to now is 968.0 secs Computing kpt #: 91 total cpu time spent up to now is 975.8 secs Computing kpt #: 92 total cpu time spent up to now is 983.9 secs Computing kpt #: 93 total cpu time spent up to now is 991.9 secs Computing kpt #: 94 total cpu time spent up to now is 999.8 secs Computing kpt #: 95 total cpu time spent up to now is 1007.0 secs Computing kpt #: 96 total cpu time spent up to now is 1014.0 secs Computing kpt #: 97 total cpu time spent up to now is 1021.6 secs Computing kpt #: 98 total cpu time spent up to now is 1029.1 secs Computing kpt #: 99 total cpu time spent up to now is 1036.4 secs Computing kpt #: 100 total cpu time spent up to now is 1043.3 secs Computing kpt #: 101 total cpu time spent up to now is 1050.7 secs Computing kpt #: 102 total cpu time spent up to now is 1058.1 secs Computing kpt #: 103 total cpu time spent up to now is 1065.5 secs Computing kpt #: 104 total cpu time spent up to now is 1072.7 secs Computing kpt #: 105 total cpu time spent up to now is 1079.9 secs Computing kpt #: 106 total cpu time spent up to now is 1087.3 secs Computing kpt #: 107 total cpu time spent up to now is 1094.5 secs Computing kpt #: 108 total cpu time spent up to now is 1102.9 secs Computing kpt #: 109 total cpu time spent up to now is 1110.8 secs Computing kpt #: 110 total cpu time spent up to now is 1117.8 secs Computing kpt #: 111 total cpu time spent up to now is 1125.1 secs Computing kpt #: 112 total cpu time spent up to now is 1132.0 secs Computing kpt #: 113 total cpu time spent up to now is 1139.4 secs Computing kpt #: 114 total cpu time spent up to now is 1146.5 secs Computing kpt #: 115 total cpu time spent up to now is 1154.2 secs Computing kpt #: 116 total cpu time spent up to now is 1161.9 secs Computing kpt #: 117 total cpu time spent up to now is 1169.0 secs Computing kpt #: 118 total cpu time spent up to now is 1176.3 secs Computing kpt #: 119 total cpu time spent up to now is 1184.0 secs Computing kpt #: 120 total cpu time spent up to now is 1191.7 secs Computing kpt #: 121 total cpu time spent up to now is 1199.0 secs Computing kpt #: 122 total cpu time spent up to now is 1206.7 secs Computing kpt #: 123 total cpu time spent up to now is 1214.6 secs Computing kpt #: 124 total cpu time spent up to now is 1222.6 secs Computing kpt #: 125 total cpu time spent up to now is 1230.4 secs Computing kpt #: 126 total cpu time spent up to now is 1238.6 secs Computing kpt #: 127 total cpu time spent up to now is 1246.9 secs Computing kpt #: 128 total cpu time spent up to now is 1255.8 secs Computing kpt #: 129 total cpu time spent up to now is 1264.5 secs Computing kpt #: 130 total cpu time spent up to now is 1273.2 secs Computing kpt #: 131 total cpu time spent up to now is 1282.1 secs Computing kpt #: 132 total cpu time spent up to now is 1291.7 secs Computing kpt #: 133 total cpu time spent up to now is 1300.7 secs Computing kpt #: 134 total cpu time spent up to now is 1309.3 secs Computing kpt #: 135 total cpu time spent up to now is 1317.5 secs Computing kpt #: 136 total cpu time spent up to now is 1328.9 secs Computing kpt #: 137 total cpu time spent up to now is 1337.2 secs Computing kpt #: 138 total cpu time spent up to now is 1345.6 secs Computing kpt #: 139 total cpu time spent up to now is 1354.0 secs Computing kpt #: 140 total cpu time spent up to now is 1362.6 secs Computing kpt #: 141 total cpu time spent up to now is 1370.6 secs Computing kpt #: 142 total cpu time spent up to now is 1378.5 secs Computing kpt #: 143 total cpu time spent up to now is 1386.3 secs Computing kpt #: 144 total cpu time spent up to now is 1393.7 secs Computing kpt #: 145 total cpu time spent up to now is 1402.6 secs Computing kpt #: 146 total cpu time spent up to now is 1411.3 secs Computing kpt #: 147 total cpu time spent up to now is 1418.5 secs Computing kpt #: 148 total cpu time spent up to now is 1426.3 secs Computing kpt #: 149 total cpu time spent up to now is 1434.0 secs Computing kpt #: 150 total cpu time spent up to now is 1442.0 secs Computing kpt #: 151 total cpu time spent up to now is 1450.3 secs Computing kpt #: 152 total cpu time spent up to now is 1459.4 secs Computing kpt #: 153 total cpu time spent up to now is 1468.5 secs Computing kpt #: 154 total cpu time spent up to now is 1477.7 secs Computing kpt #: 155 total cpu time spent up to now is 1487.5 secs Computing kpt #: 156 total cpu time spent up to now is 1497.2 secs Computing kpt #: 157 total cpu time spent up to now is 1507.0 secs Computing kpt #: 158 total cpu time spent up to now is 1517.0 secs Computing kpt #: 159 total cpu time spent up to now is 1526.6 secs Computing kpt #: 160 total cpu time spent up to now is 1535.8 secs Computing kpt #: 161 total cpu time spent up to now is 1545.8 secs Computing kpt #: 162 total cpu time spent up to now is 1555.2 secs Computing kpt #: 163 total cpu time spent up to now is 1564.5 secs Computing kpt #: 164 total cpu time spent up to now is 1573.9 secs Computing kpt #: 165 total cpu time spent up to now is 1583.1 secs Computing kpt #: 166 total cpu time spent up to now is 1592.2 secs Computing kpt #: 167 total cpu time spent up to now is 1600.8 secs Computing kpt #: 168 total cpu time spent up to now is 1608.9 secs Computing kpt #: 169 total cpu time spent up to now is 1617.0 secs Computing kpt #: 170 total cpu time spent up to now is 1624.9 secs Computing kpt #: 171 total cpu time spent up to now is 1632.7 secs Computing kpt #: 172 total cpu time spent up to now is 1640.6 secs Computing kpt #: 173 total cpu time spent up to now is 1648.9 secs Computing kpt #: 174 total cpu time spent up to now is 1656.2 secs Computing kpt #: 175 total cpu time spent up to now is 1663.5 secs Computing kpt #: 176 total cpu time spent up to now is 1670.7 secs Computing kpt #: 177 total cpu time spent up to now is 1678.0 secs Computing kpt #: 178 total cpu time spent up to now is 1684.8 secs Computing kpt #: 179 total cpu time spent up to now is 1691.3 secs Computing kpt #: 180 total cpu time spent up to now is 1697.8 secs Computing kpt #: 181 total cpu time spent up to now is 1705.5 secs Computing kpt #: 182 total cpu time spent up to now is 1712.5 secs Computing kpt #: 183 total cpu time spent up to now is 1719.3 secs Computing kpt #: 184 total cpu time spent up to now is 1725.8 secs Computing kpt #: 185 total cpu time spent up to now is 1732.4 secs Computing kpt #: 186 total cpu time spent up to now is 1738.7 secs Computing kpt #: 187 total cpu time spent up to now is 1745.0 secs Computing kpt #: 188 total cpu time spent up to now is 1751.7 secs Computing kpt #: 189 total cpu time spent up to now is 1759.0 secs Computing kpt #: 190 total cpu time spent up to now is 1767.0 secs Computing kpt #: 191 total cpu time spent up to now is 1775.5 secs Computing kpt #: 192 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1787.3 secs Computing kpt #: 193 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1799.3 secs Computing kpt #: 194 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1811.2 secs Computing kpt #: 195 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1823.1 secs Computing kpt #: 196 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1835.2 secs Computing kpt #: 197 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1847.0 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1858.2 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1869.1 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1880.1 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1890.9 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1901.6 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1912.4 secs Computing kpt #: 204 total cpu time spent up to now is 1923.0 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1933.7 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1944.0 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1954.4 secs Computing kpt #: 208 total cpu time spent up to now is 1964.0 secs Computing kpt #: 209 total cpu time spent up to now is 1974.2 secs Computing kpt #: 210 total cpu time spent up to now is 1981.5 secs Computing kpt #: 211 total cpu time spent up to now is 1991.1 secs Computing kpt #: 212 total cpu time spent up to now is 2000.9 secs Computing kpt #: 213 total cpu time spent up to now is 2010.4 secs Computing kpt #: 214 total cpu time spent up to now is 2018.4 secs Computing kpt #: 215 total cpu time spent up to now is 2027.2 secs Computing kpt #: 216 total cpu time spent up to now is 2034.2 secs Computing kpt #: 217 total cpu time spent up to now is 2040.8 secs Computing kpt #: 218 total cpu time spent up to now is 2047.7 secs Computing kpt #: 219 total cpu time spent up to now is 2054.4 secs Computing kpt #: 220 total cpu time spent up to now is 2061.1 secs Computing kpt #: 221 total cpu time spent up to now is 2067.8 secs Computing kpt #: 222 total cpu time spent up to now is 2074.4 secs Computing kpt #: 223 total cpu time spent up to now is 2081.0 secs Computing kpt #: 224 total cpu time spent up to now is 2087.6 secs Computing kpt #: 225 total cpu time spent up to now is 2094.2 secs Computing kpt #: 226 total cpu time spent up to now is 2100.9 secs Computing kpt #: 227 total cpu time spent up to now is 2107.8 secs Computing kpt #: 228 total cpu time spent up to now is 2114.6 secs Computing kpt #: 229 total cpu time spent up to now is 2121.5 secs Computing kpt #: 230 total cpu time spent up to now is 2128.9 secs Computing kpt #: 231 total cpu time spent up to now is 2136.1 secs Computing kpt #: 232 total cpu time spent up to now is 2143.5 secs Computing kpt #: 233 total cpu time spent up to now is 2152.2 secs Computing kpt #: 234 total cpu time spent up to now is 2161.3 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2172.5 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2183.7 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2194.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2206.0 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2217.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2228.2 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2239.1 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2250.2 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2261.4 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2272.5 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2283.9 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2295.1 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2307.7 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2318.7 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2329.7 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2340.9 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2351.8 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2362.5 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2373.1 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2384.2 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2395.2 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2406.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2417.7 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2429.1 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2440.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2451.8 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2463.0 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2474.7 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2486.0 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2497.1 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2508.2 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2519.1 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2530.2 secs Computing kpt #: 268 total cpu time spent up to now is 2541.2 secs Computing kpt #: 269 total cpu time spent up to now is 2551.9 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2562.9 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2574.3 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2585.8 secs Computing kpt #: 273 total cpu time spent up to now is 2596.8 secs Computing kpt #: 274 total cpu time spent up to now is 2607.6 secs Computing kpt #: 275 total cpu time spent up to now is 2616.3 secs Computing kpt #: 276 total cpu time spent up to now is 2624.7 secs Computing kpt #: 277 total cpu time spent up to now is 2633.4 secs Computing kpt #: 278 total cpu time spent up to now is 2641.7 secs Computing kpt #: 279 total cpu time spent up to now is 2649.9 secs Computing kpt #: 280 total cpu time spent up to now is 2658.2 secs Computing kpt #: 281 total cpu time spent up to now is 2666.3 secs Computing kpt #: 282 total cpu time spent up to now is 2675.1 secs Computing kpt #: 283 total cpu time spent up to now is 2683.1 secs Computing kpt #: 284 total cpu time spent up to now is 2691.7 secs Computing kpt #: 285 total cpu time spent up to now is 2701.0 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2712.3 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2723.3 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2735.6 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2746.6 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2757.5 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2768.5 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2779.6 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2790.7 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2801.9 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2813.0 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2824.4 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2835.5 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2846.9 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2858.1 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2869.4 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2880.7 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2892.2 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2904.9 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2916.0 secs Computing kpt #: 305 total cpu time spent up to now is 2922.2 secs Computing kpt #: 306 total cpu time spent up to now is 2928.7 secs Computing kpt #: 307 total cpu time spent up to now is 2935.1 secs Computing kpt #: 308 total cpu time spent up to now is 2941.9 secs Computing kpt #: 309 total cpu time spent up to now is 2948.3 secs Computing kpt #: 310 total cpu time spent up to now is 2954.9 secs Computing kpt #: 311 total cpu time spent up to now is 2961.5 secs Computing kpt #: 312 total cpu time spent up to now is 2968.5 secs Computing kpt #: 313 total cpu time spent up to now is 2975.6 secs Computing kpt #: 314 total cpu time spent up to now is 2982.9 secs Computing kpt #: 315 total cpu time spent up to now is 2989.9 secs Computing kpt #: 316 total cpu time spent up to now is 2997.6 secs Computing kpt #: 317 total cpu time spent up to now is 3004.9 secs Computing kpt #: 318 total cpu time spent up to now is 3013.0 secs Computing kpt #: 319 total cpu time spent up to now is 3020.7 secs Computing kpt #: 320 total cpu time spent up to now is 3029.5 secs Computing kpt #: 321 total cpu time spent up to now is 3038.1 secs Computing kpt #: 322 total cpu time spent up to now is 3047.6 secs Computing kpt #: 323 total cpu time spent up to now is 3057.2 secs Computing kpt #: 324 total cpu time spent up to now is 3067.0 secs Computing kpt #: 325 total cpu time spent up to now is 3077.5 secs Computing kpt #: 326 total cpu time spent up to now is 3087.8 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3099.1 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3110.3 secs Computing kpt #: 329 total cpu time spent up to now is 3121.6 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3132.9 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3144.4 secs Computing kpt #: 332 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 3155.9 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3167.1 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3178.5 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3189.8 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3201.9 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3214.4 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3227.7 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3238.8 secs Computing kpt #: 340 total cpu time spent up to now is 3249.4 secs Computing kpt #: 341 total cpu time spent up to now is 3259.4 secs Computing kpt #: 342 total cpu time spent up to now is 3269.7 secs Computing kpt #: 343 total cpu time spent up to now is 3279.8 secs Computing kpt #: 344 total cpu time spent up to now is 3289.8 secs Computing kpt #: 345 total cpu time spent up to now is 3298.7 secs Computing kpt #: 346 total cpu time spent up to now is 3309.3 secs Computing kpt #: 347 total cpu time spent up to now is 3320.2 secs Computing kpt #: 348 total cpu time spent up to now is 3329.0 secs Computing kpt #: 349 total cpu time spent up to now is 3337.5 secs Computing kpt #: 350 total cpu time spent up to now is 3345.7 secs ethr = 1.56E-11, avg # of iterations = 89.6 total cpu time spent up to now is 3346.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6577 PWs) bands (ev): -19.5119 -19.5119 -19.2751 -19.2751 -17.1848 -17.1848 -16.7953 -16.7953 -16.6664 -16.6664 -16.6575 -16.6575 -16.6493 -16.6493 -16.6282 -16.6282 -8.3246 -8.3246 -6.8835 -6.8835 -5.9083 -5.9083 -4.9096 -4.9096 -4.8203 -4.8203 -4.7791 -4.7791 -4.3991 -4.3991 -4.2787 -4.2787 -1.9675 -1.9675 -1.9600 -1.9600 -1.9539 -1.9539 -1.4085 -1.4085 -1.4067 -1.4067 -1.1379 -1.1379 -0.9446 -0.9446 -0.9189 -0.9189 -0.8803 -0.8803 -0.7904 -0.7904 0.0655 0.0655 0.1982 0.1982 0.4868 0.4868 0.7809 0.7809 0.8550 0.8550 1.0394 1.0394 6.8045 6.8045 9.4206 9.4206 10.2864 10.2864 10.3876 10.3876 10.3981 10.3981 10.7000 10.7000 k = 0.0111 0.0111-0.0000 ( 6569 PWs) bands (ev): -19.5116 -19.5116 -19.2751 -19.2750 -17.1848 -17.1846 -16.7954 -16.7954 -16.6676 -16.6665 -16.6578 -16.6570 -16.6494 -16.6493 -16.6282 -16.6282 -8.3234 -8.3234 -6.8836 -6.8834 -5.9084 -5.9079 -4.9092 -4.9088 -4.8211 -4.8210 -4.7786 -4.7784 -4.3991 -4.3991 -4.2792 -4.2789 -1.9697 -1.9658 -1.9615 -1.9600 -1.9554 -1.9514 -1.4085 -1.4084 -1.4064 -1.4058 -1.1380 -1.1374 -0.9468 -0.9430 -0.9216 -0.9165 -0.8819 -0.8815 -0.7904 -0.7898 0.0647 0.0656 0.1983 0.1995 0.4862 0.4864 0.7803 0.7804 0.8544 0.8546 1.0386 1.0389 6.8071 6.8071 9.4220 9.4225 10.2866 10.2868 10.3875 10.3881 10.3969 10.3975 10.7022 10.7023 k = 0.0222 0.0222-0.0000 ( 6569 PWs) bands (ev): -19.5108 -19.5108 -19.2750 -19.2750 -17.1847 -17.1842 -16.7955 -16.7954 -16.6699 -16.6681 -16.6579 -16.6568 -16.6496 -16.6496 -16.6283 -16.6283 -8.3199 -8.3199 -6.8836 -6.8832 -5.9080 -5.9071 -4.9076 -4.9069 -4.8233 -4.8232 -4.7770 -4.7764 -4.3992 -4.3991 -4.2803 -4.2797 -1.9720 -1.9658 -1.9643 -1.9615 -1.9549 -1.9483 -1.4088 -1.4087 -1.4047 -1.4034 -1.1376 -1.1364 -0.9497 -0.9423 -0.9244 -0.9144 -0.8864 -0.8854 -0.7900 -0.7887 0.0633 0.0650 0.2001 0.2024 0.4843 0.4847 0.7787 0.7788 0.8529 0.8533 1.0365 1.0372 6.8148 6.8148 9.4266 9.4278 10.2874 10.2878 10.3877 10.3888 10.3942 10.3954 10.7090 10.7091 k = 0.0333 0.0333-0.0000 ( 6573 PWs) bands (ev): -19.5096 -19.5096 -19.2749 -19.2749 -17.1844 -17.1836 -16.7956 -16.7956 -16.6731 -16.6708 -16.6579 -16.6567 -16.6500 -16.6500 -16.6285 -16.6284 -8.3141 -8.3141 -6.8836 -6.8831 -5.9073 -5.9059 -4.9048 -4.9038 -4.8271 -4.8268 -4.7742 -4.7733 -4.3992 -4.3991 -4.2820 -4.2811 -1.9742 -1.9686 -1.9681 -1.9636 -1.9524 -1.9449 -1.4095 -1.4094 -1.4015 -1.3997 -1.1367 -1.1350 -0.9531 -0.9426 -0.9273 -0.9129 -0.8936 -0.8918 -0.7890 -0.7871 0.0614 0.0639 0.2032 0.2066 0.4812 0.4819 0.7760 0.7762 0.8504 0.8510 1.0332 1.0342 6.8276 6.8277 9.4346 9.4363 10.2887 10.2894 10.3882 10.3899 10.3902 10.3920 10.7199 10.7201 k = 0.0444 0.0444-0.0000 ( 6561 PWs) bands (ev): -19.5078 -19.5078 -19.2748 -19.2747 -17.1839 -17.1828 -16.7958 -16.7957 -16.6771 -16.6747 -16.6581 -16.6570 -16.6506 -16.6505 -16.6288 -16.6287 -8.3059 -8.3059 -6.8836 -6.8829 -5.9062 -5.9043 -4.9009 -4.8996 -4.8324 -4.8320 -4.7701 -4.7690 -4.3992 -4.3991 -4.2843 -4.2832 -1.9763 -1.9741 -1.9725 -1.9654 -1.9490 -1.9413 -1.4104 -1.4103 -1.3971 -1.3948 -1.1354 -1.1332 -0.9570 -0.9440 -0.9309 -0.9124 -0.9028 -0.9002 -0.7874 -0.7848 0.0592 0.0622 0.2077 0.2120 0.4771 0.4780 0.7722 0.7725 0.8471 0.8479 1.0287 1.0300 6.8456 6.8456 9.4458 9.4481 10.2904 10.2912 10.3855 10.3875 10.3893 10.3912 10.7347 10.7350 k = 0.0555 0.0556-0.0000 ( 6557 PWs) bands (ev): -19.5055 -19.5055 -19.2747 -19.2745 -17.1833 -17.1819 -16.7961 -16.7960 -16.6820 -16.6795 -16.6586 -16.6577 -16.6513 -16.6512 -16.6291 -16.6290 -8.2955 -8.2955 -6.8836 -6.8827 -5.9048 -5.9024 -4.8958 -4.8942 -4.8391 -4.8387 -4.7649 -4.7635 -4.3992 -4.3990 -4.2871 -4.2857 -1.9810 -1.9784 -1.9779 -1.9670 -1.9450 -1.9374 -1.4116 -1.4115 -1.3918 -1.3890 -1.1337 -1.1310 -0.9616 -0.9466 -0.9361 -0.9184 -0.9095 -0.9088 -0.7850 -0.7818 0.0567 0.0603 0.2134 0.2184 0.4719 0.4730 0.7674 0.7678 0.8428 0.8438 1.0230 1.0246 6.8685 6.8685 9.4601 9.4630 10.2922 10.2932 10.3807 10.3832 10.3904 10.3929 10.7527 10.7532 k = 0.0666 0.0667-0.0000 ( 6559 PWs) bands (ev): -19.5027 -19.5027 -19.2744 -19.2743 -17.1825 -17.1808 -16.7964 -16.7962 -16.6876 -16.6851 -16.6593 -16.6587 -16.6521 -16.6519 -16.6295 -16.6294 -8.2828 -8.2827 -6.8836 -6.8824 -5.9030 -5.9002 -4.8897 -4.8878 -4.8473 -4.8468 -4.7585 -4.7568 -4.3992 -4.3990 -4.2905 -4.2888 -1.9885 -1.9853 -1.9795 -1.9684 -1.9408 -1.9333 -1.4129 -1.4129 -1.3857 -1.3825 -1.1317 -1.1285 -0.9670 -0.9504 -0.9452 -0.9322 -0.9175 -0.9098 -0.7818 -0.7780 0.0543 0.0582 0.2200 0.2257 0.4657 0.4670 0.7616 0.7620 0.8377 0.8389 1.0161 1.0181 6.8963 6.8963 9.4775 9.4809 10.2936 10.2946 10.3765 10.3794 10.3918 10.3948 10.7736 10.7743 k = 0.0777 0.0778-0.0000 ( 6573 PWs) bands (ev): -19.4994 -19.4994 -19.2742 -19.2740 -17.1815 -17.1796 -16.7967 -16.7966 -16.6941 -16.6917 -16.6603 -16.6600 -16.6531 -16.6528 -16.6299 -16.6299 -8.2678 -8.2677 -6.8836 -6.8822 -5.9010 -5.8977 -4.8828 -4.8805 -4.8568 -4.8561 -4.7510 -4.7490 -4.3991 -4.3989 -4.2942 -4.2923 -1.9967 -1.9930 -1.9810 -1.9697 -1.9364 -1.9292 -1.4143 -1.4143 -1.3793 -1.3757 -1.1294 -1.1257 -0.9742 -0.9606 -0.9539 -0.9480 -0.9233 -0.9110 -0.7777 -0.7734 0.0519 0.0560 0.2275 0.2338 0.4585 0.4600 0.7547 0.7552 0.8318 0.8332 1.0081 1.0105 6.9289 6.9289 9.4979 9.5018 10.2940 10.2949 10.3739 10.3770 10.3936 10.3969 10.7968 10.7976 k = 0.0888 0.0889-0.0000 ( 6561 PWs) bands (ev): -19.4956 -19.4956 -19.2739 -19.2737 -17.1803 -17.1782 -16.7971 -16.7970 -16.7014 -16.6990 -16.6616 -16.6616 -16.6541 -16.6538 -16.6304 -16.6304 -8.2506 -8.2505 -6.8836 -6.8820 -5.8987 -5.8949 -4.8767 -4.8746 -4.8653 -4.8649 -4.7423 -4.7401 -4.3990 -4.3988 -4.2983 -4.2962 -2.0053 -2.0012 -1.9823 -1.9709 -1.9319 -1.9250 -1.4158 -1.4158 -1.3727 -1.3687 -1.1268 -1.1227 -0.9854 -0.9791 -0.9625 -0.9590 -0.9280 -0.9130 -0.7726 -0.7679 0.0497 0.0541 0.2357 0.2425 0.4506 0.4523 0.7469 0.7474 0.8251 0.8267 0.9991 1.0018 6.9661 6.9661 9.5210 9.5254 10.2928 10.2935 10.3738 10.3769 10.3956 10.3991 10.8215 10.8226 k = 0.0999 0.1000-0.0000 ( 6565 PWs) bands (ev): -19.4914 -19.4914 -19.2736 -19.2734 -17.1790 -17.1766 -16.7975 -16.7974 -16.7095 -16.7072 -16.6636 -16.6632 -16.6552 -16.6548 -16.6310 -16.6310 -8.2312 -8.2311 -6.8836 -6.8819 -5.8961 -5.8919 -4.8829 -4.8829 -4.8619 -4.8600 -4.7325 -4.7300 -4.3988 -4.3986 -4.3027 -4.3003 -2.0142 -2.0096 -1.9835 -1.9721 -1.9274 -1.9209 -1.4173 -1.4172 -1.3662 -1.3619 -1.1240 -1.1196 -1.0033 -1.0008 -0.9729 -0.9644 -0.9325 -0.9161 -0.7666 -0.7617 0.0479 0.0523 0.2445 0.2517 0.4419 0.4438 0.7381 0.7387 0.8176 0.8195 0.9891 0.9921 7.0079 7.0079 9.5468 9.5517 10.2897 10.2898 10.3767 10.3796 10.3978 10.4012 10.8470 10.8484 k = 0.1110 0.1111-0.0000 ( 6555 PWs) bands (ev): -19.4867 -19.4867 -19.2733 -19.2730 -17.1776 -17.1749 -16.7980 -16.7978 -16.7183 -16.7161 -16.6659 -16.6650 -16.6564 -16.6560 -16.6316 -16.6316 -8.2097 -8.2096 -6.8836 -6.8818 -5.8933 -5.8887 -4.8968 -4.8964 -4.8521 -4.8496 -4.7216 -4.7189 -4.3986 -4.3983 -4.3072 -4.3046 -2.0231 -2.0182 -1.9848 -1.9733 -1.9229 -1.9169 -1.4187 -1.4186 -1.3601 -1.3554 -1.1212 -1.1164 -1.0260 -1.0249 -0.9807 -0.9702 -0.9375 -0.9202 -0.7599 -0.7546 0.0464 0.0510 0.2538 0.2613 0.4327 0.4348 0.7283 0.7290 0.8095 0.8116 0.9782 0.9815 7.0541 7.0541 9.5751 9.5803 10.2840 10.2845 10.3826 10.3848 10.4001 10.4031 10.8722 10.8738 k = 0.1221 0.1222-0.0000 ( 6559 PWs) bands (ev): -19.4816 -19.4816 -19.2729 -19.2726 -17.1760 -17.1731 -16.7986 -16.7984 -16.7279 -16.7258 -16.6684 -16.6671 -16.6576 -16.6572 -16.6323 -16.6323 -8.1861 -8.1860 -6.8837 -6.8817 -5.8904 -5.8854 -4.9125 -4.9119 -4.8407 -4.8378 -4.7097 -4.7068 -4.3982 -4.3979 -4.3118 -4.3090 -2.0318 -2.0265 -1.9860 -1.9745 -1.9186 -1.9130 -1.4200 -1.4197 -1.3545 -1.3495 -1.1185 -1.1136 -1.0516 -1.0508 -0.9876 -0.9764 -0.9433 -0.9254 -0.7524 -0.7470 0.0455 0.0500 0.2636 0.2713 0.4230 0.4253 0.7176 0.7184 0.8009 0.8031 0.9664 0.9700 7.1045 7.1045 9.6056 9.6112 10.2767 10.2777 10.3909 10.3915 10.4031 10.4047 10.8954 10.8973 k = 0.1333 0.1333-0.0000 ( 6549 PWs) bands (ev): -19.4761 -19.4761 -19.2725 -19.2722 -17.1742 -17.1711 -16.7991 -16.7989 -16.7382 -16.7362 -16.6711 -16.6695 -16.6589 -16.6585 -16.6330 -16.6330 -8.1604 -8.1603 -6.8838 -6.8817 -5.8874 -5.8820 -4.9297 -4.9290 -4.8281 -4.8250 -4.6968 -4.6937 -4.3977 -4.3974 -4.3163 -4.3133 -2.0401 -2.0346 -1.9873 -1.9759 -1.9146 -1.9095 -1.4210 -1.4206 -1.3498 -1.3444 -1.1165 -1.1120 -1.0784 -1.0772 -0.9943 -0.9828 -0.9499 -0.9316 -0.7445 -0.7389 0.0450 0.0495 0.2737 0.2816 0.4131 0.4156 0.7061 0.7069 0.7916 0.7941 0.9538 0.9577 7.1589 7.1589 9.6382 9.6441 10.2681 10.2698 10.3963 10.3999 10.4068 10.4095 10.9144 10.9167 k = 0.1444 0.1444-0.0000 ( 6549 PWs) bands (ev): -19.4702 -19.4702 -19.2721 -19.2717 -17.1723 -17.1689 -16.7997 -16.7995 -16.7491 -16.7472 -16.6741 -16.6721 -16.6603 -16.6599 -16.6338 -16.6338 -8.1327 -8.1326 -6.8840 -6.8818 -5.8843 -5.8785 -4.9485 -4.9477 -4.8146 -4.8113 -4.6830 -4.6797 -4.3971 -4.3968 -4.3208 -4.3176 -2.0479 -2.0422 -1.9888 -1.9775 -1.9109 -1.9063 -1.4218 -1.4212 -1.3459 -1.3402 -1.1204 -1.1195 -1.1010 -1.0961 -1.0011 -0.9895 -0.9573 -0.9389 -0.7362 -0.7305 0.0451 0.0496 0.2841 0.2922 0.4030 0.4058 0.6937 0.6945 0.7819 0.7847 0.9406 0.9448 7.2172 7.2172 9.6725 9.6787 10.2589 10.2611 10.3972 10.4024 10.4157 10.4203 10.9265 10.9294 k = 0.1555 0.1556-0.0000 ( 6551 PWs) bands (ev): -19.4639 -19.4639 -19.2716 -19.2712 -17.1702 -17.1667 -16.8004 -16.8002 -16.7607 -16.7588 -16.6772 -16.6749 -16.6618 -16.6613 -16.6346 -16.6346 -8.1031 -8.1029 -6.8843 -6.8819 -5.8812 -5.8751 -4.9688 -4.9679 -4.8001 -4.7966 -4.6683 -4.6648 -4.3963 -4.3960 -4.3250 -4.3216 -2.0551 -2.0492 -1.9905 -1.9794 -1.9075 -1.9035 -1.4222 -1.4215 -1.3432 -1.3371 -1.1453 -1.1445 -1.1048 -1.0981 -1.0078 -0.9964 -0.9657 -0.9473 -0.7280 -0.7222 0.0458 0.0503 0.2947 0.3030 0.3931 0.3960 0.6805 0.6814 0.7719 0.7748 0.9267 0.9312 7.2791 7.2791 9.7082 9.7147 10.2492 10.2519 10.3955 10.4002 10.4286 10.4333 10.9297 10.9320 k = 0.1666 0.1667-0.0000 ( 6547 PWs) bands (ev): -19.4573 -19.4573 -19.2711 -19.2707 -17.1681 -17.1643 -16.8011 -16.8009 -16.7727 -16.7710 -16.6805 -16.6779 -16.6633 -16.6628 -16.6355 -16.6355 -8.0716 -8.0714 -6.8847 -6.8822 -5.8781 -5.8717 -4.9906 -4.9895 -4.7847 -4.7811 -4.6527 -4.6491 -4.3954 -4.3950 -4.3288 -4.3254 -2.0615 -2.0554 -1.9925 -1.9816 -1.9046 -1.9012 -1.4223 -1.4214 -1.3416 -1.3351 -1.1764 -1.1755 -1.1027 -1.0958 -1.0146 -1.0036 -0.9749 -0.9565 -0.7200 -0.7141 0.0472 0.0516 0.3056 0.3140 0.3836 0.3866 0.6665 0.6674 0.7615 0.7646 0.9123 0.9171 7.3445 7.3445 9.7452 9.7517 10.2392 10.2425 10.3916 10.3957 10.4425 10.4474 10.9230 10.9243 k = 0.1777 0.1778-0.0000 ( 6549 PWs) bands (ev): -19.4503 -19.4503 -19.2706 -19.2702 -17.1658 -17.1618 -16.8019 -16.8017 -16.7853 -16.7836 -16.6840 -16.6811 -16.6649 -16.6644 -16.6364 -16.6363 -8.0382 -8.0381 -6.8852 -6.8826 -5.8751 -5.8684 -5.0138 -5.0126 -4.7686 -4.7649 -4.6363 -4.6326 -4.3942 -4.3938 -4.3323 -4.3287 -2.0670 -2.0608 -1.9948 -1.9842 -1.9021 -1.8993 -1.4221 -1.4209 -1.3413 -1.3343 -1.2091 -1.2081 -1.0998 -1.0929 -1.0215 -1.0109 -0.9849 -0.9667 -0.7125 -0.7066 0.0492 0.0534 0.3166 0.3252 0.3745 0.3777 0.6517 0.6527 0.7508 0.7541 0.8975 0.9025 7.4131 7.4131 9.7829 9.7895 10.2292 10.2330 10.3853 10.3887 10.4564 10.4616 10.9075 10.9080 k = 0.1888 0.1889-0.0000 ( 6543 PWs) bands (ev): -19.4431 -19.4431 -19.2701 -19.2697 -17.1634 -17.1592 -16.8034 -16.8031 -16.7976 -16.7960 -16.6877 -16.6844 -16.6665 -16.6660 -16.6373 -16.6373 -8.0032 -8.0030 -6.8857 -6.8831 -5.8723 -5.8652 -5.0384 -5.0371 -4.7517 -4.7479 -4.6192 -4.6153 -4.3928 -4.3925 -4.3352 -4.3315 -2.0716 -2.0652 -1.9976 -1.9874 -1.9001 -1.8980 -1.4217 -1.4202 -1.3424 -1.3349 -1.2425 -1.2415 -1.0966 -1.0897 -1.0284 -1.0185 -0.9955 -0.9777 -0.7059 -0.6999 0.0517 0.0559 0.3277 0.3364 0.3664 0.3696 0.6363 0.6374 0.7400 0.7435 0.8822 0.8875 7.4848 7.4848 9.8209 9.8275 10.2192 10.2236 10.3767 10.3795 10.4696 10.4752 10.8866 10.8871 k = 0.1999 0.2000-0.0000 ( 6537 PWs) bands (ev): -19.4355 -19.4355 -19.2696 -19.2691 -17.1609 -17.1565 -16.8128 -16.8116 -16.8024 -16.8018 -16.6914 -16.6879 -16.6681 -16.6676 -16.6382 -16.6382 -7.9664 -7.9663 -6.8864 -6.8837 -5.8696 -5.8623 -5.0645 -5.0631 -4.7342 -4.7303 -4.6014 -4.5975 -4.3912 -4.3908 -4.3375 -4.3337 -2.0751 -2.0686 -2.0009 -1.9910 -1.8986 -1.8972 -1.4212 -1.4194 -1.3450 -1.3368 -1.2763 -1.2749 -1.0933 -1.0863 -1.0354 -1.0265 -1.0066 -0.9894 -0.7003 -0.6943 0.0549 0.0590 0.3385 0.3475 0.3596 0.3628 0.6203 0.6214 0.7291 0.7328 0.8668 0.8723 7.5592 7.5592 9.8586 9.8650 10.2093 10.2142 10.3661 10.3681 10.4810 10.4870 10.8640 10.8656 k = 0.2110 0.2111-0.0000 ( 6537 PWs) bands (ev): -19.4278 -19.4278 -19.2690 -19.2686 -17.1583 -17.1538 -16.8264 -16.8251 -16.8034 -16.8030 -16.6953 -16.6916 -16.6698 -16.6693 -16.6392 -16.6391 -7.9281 -7.9279 -6.8873 -6.8845 -5.8671 -5.8595 -5.0920 -5.0905 -4.7161 -4.7122 -4.5831 -4.5790 -4.3893 -4.3889 -4.3391 -4.3353 -2.0775 -2.0709 -2.0047 -1.9953 -1.8976 -1.8970 -1.4212 -1.4190 -1.3495 -1.3400 -1.3098 -1.3076 -1.0897 -1.0828 -1.0426 -1.0352 -1.0177 -1.0017 -0.6960 -0.6900 0.0587 0.0626 0.3464 0.3538 0.3569 0.3618 0.6037 0.6049 0.7182 0.7220 0.8511 0.8569 7.6362 7.6363 9.8952 9.9014 10.1994 10.2050 10.3541 10.3553 10.4894 10.4957 10.8436 10.8461 k = 0.2221 0.2222-0.0000 ( 6537 PWs) bands (ev): -19.4198 -19.4198 -19.2685 -19.2680 -17.1556 -17.1510 -16.8405 -16.8392 -16.8042 -16.8039 -16.6993 -16.6953 -16.6715 -16.6710 -16.6401 -16.6401 -7.8882 -7.8880 -6.8882 -6.8854 -5.8648 -5.8571 -5.1208 -5.1192 -4.6975 -4.6935 -4.5642 -4.5601 -4.3871 -4.3868 -4.3400 -4.3362 -2.0788 -2.0721 -2.0092 -2.0003 -1.8971 -1.8970 -1.4225 -1.4201 -1.3573 -1.3451 -1.3413 -1.3368 -1.0858 -1.0790 -1.0502 -1.0454 -1.0282 -1.0144 -0.6933 -0.6872 0.0629 0.0667 0.3452 0.3503 0.3647 0.3720 0.5866 0.5879 0.7073 0.7113 0.8353 0.8413 7.7156 7.7157 9.9296 9.9355 10.1897 10.1959 10.3419 10.3422 10.4936 10.5000 10.8282 10.8314 k = 0.2332 0.2333-0.0000 ( 6533 PWs) bands (ev): -19.4116 -19.4116 -19.2679 -19.2675 -17.1529 -17.1481 -16.8549 -16.8536 -16.8050 -16.8047 -16.7033 -16.6992 -16.6733 -16.6728 -16.6411 -16.6411 -7.8469 -7.8467 -6.8893 -6.8864 -5.8629 -5.8550 -5.1511 -5.1493 -4.6786 -4.6746 -4.5449 -4.5408 -4.3846 -4.3843 -4.3401 -4.3363 -2.0789 -2.0722 -2.0143 -2.0059 -1.8977 -1.8969 -1.4281 -1.4257 -1.3741 -1.3693 -1.3540 -1.3503 -1.0814 -1.0748 -1.0586 -1.0575 -1.0373 -1.0270 -0.6922 -0.6861 0.0677 0.0714 0.3423 0.3470 0.3756 0.3833 0.5692 0.5705 0.6965 0.7007 0.8195 0.8257 7.7971 7.7972 9.9602 9.9656 10.1801 10.1870 10.3305 10.3310 10.4925 10.4986 10.8197 10.8233 k = 0.2443 0.2444-0.0000 ( 6541 PWs) bands (ev): -19.4034 -19.4034 -19.2673 -19.2669 -17.1501 -17.1452 -16.8695 -16.8682 -16.8058 -16.8054 -16.7074 -16.7031 -16.6750 -16.6745 -16.6421 -16.6420 -7.8043 -7.8041 -6.8904 -6.8876 -5.8612 -5.8532 -5.1826 -5.1807 -4.6593 -4.6554 -4.5253 -4.5211 -4.3817 -4.3814 -4.3394 -4.3356 -2.0777 -2.0709 -2.0201 -2.0123 -1.8987 -1.8971 -1.4439 -1.4420 -1.3894 -1.3857 -1.3636 -1.3574 -1.0767 -1.0715 -1.0700 -1.0682 -1.0454 -1.0388 -0.6929 -0.6868 0.0728 0.0763 0.3404 0.3451 0.3868 0.3945 0.5517 0.5530 0.6859 0.6902 0.8037 0.8100 7.8805 7.8805 9.9851 9.9898 10.1705 10.1782 10.3227 10.3240 10.4859 10.4913 10.8190 10.8226 k = 0.2554 0.2556-0.0000 ( 6543 PWs) bands (ev): -19.3950 -19.3950 -19.2668 -19.2663 -17.1472 -17.1422 -16.8841 -16.8828 -16.8065 -16.8062 -16.7115 -16.7071 -16.6768 -16.6763 -16.6431 -16.6430 -7.7604 -7.7602 -6.8917 -6.8889 -5.8599 -5.8517 -5.2154 -5.2134 -4.6399 -4.6360 -4.5054 -4.5012 -4.3784 -4.3782 -4.3379 -4.3341 -2.0753 -2.0685 -2.0266 -2.0193 -1.8999 -1.8976 -1.4702 -1.4689 -1.3957 -1.3915 -1.3726 -1.3657 -1.0866 -1.0804 -1.0708 -1.0649 -1.0528 -1.0493 -0.6954 -0.6894 0.0783 0.0817 0.3401 0.3447 0.3976 0.4052 0.5343 0.5356 0.6755 0.6799 0.7880 0.7945 7.9655 7.9655 10.0017 10.0057 10.1609 10.1694 10.3213 10.3234 10.4745 10.4788 10.8257 10.8289 k = 0.2665 0.2667-0.0000 ( 6537 PWs) bands (ev): -19.3865 -19.3865 -19.2662 -19.2658 -17.1443 -17.1392 -16.8988 -16.8975 -16.8072 -16.8069 -16.7156 -16.7111 -16.6785 -16.6780 -16.6440 -16.6440 -7.7154 -7.7152 -6.8931 -6.8903 -5.8589 -5.8507 -5.2494 -5.2472 -4.6205 -4.6167 -4.4854 -4.4811 -4.3747 -4.3746 -4.3355 -4.3318 -2.0716 -2.0649 -2.0337 -2.0269 -1.9014 -1.8984 -1.5010 -1.5000 -1.3980 -1.3928 -1.3820 -1.3751 -1.1028 -1.0944 -1.0648 -1.0604 -1.0583 -1.0580 -0.6997 -0.6938 0.0840 0.0873 0.3413 0.3458 0.4076 0.4149 0.5177 0.5189 0.6654 0.6699 0.7725 0.7791 8.0518 8.0519 10.0082 10.0115 10.1512 10.1605 10.3288 10.3314 10.4595 10.4626 10.8385 10.8411 k = 0.2776 0.2778-0.0000 ( 6537 PWs) bands (ev): -19.3780 -19.3780 -19.2657 -19.2652 -17.1414 -17.1362 -16.9134 -16.9122 -16.8080 -16.8076 -16.7198 -16.7151 -16.6802 -16.6798 -16.6450 -16.6449 -7.6693 -7.6691 -6.8946 -6.8919 -5.8583 -5.8500 -5.2845 -5.2822 -4.6013 -4.5975 -4.4653 -4.4610 -4.3704 -4.3704 -4.3324 -4.3286 -2.0667 -2.0601 -2.0415 -2.0351 -1.9030 -1.8995 -1.5331 -1.5323 -1.4004 -1.3929 -1.3908 -1.3854 -1.1198 -1.1103 -1.0668 -1.0665 -1.0570 -1.0519 -0.7058 -0.6999 0.0900 0.0930 0.3440 0.3485 0.4156 0.4223 0.5031 0.5039 0.6557 0.6603 0.7572 0.7640 8.1392 8.1393 10.0044 10.0071 10.1413 10.1515 10.3455 10.3484 10.4426 10.4444 10.8558 10.8576 k = 0.2887 0.2889-0.0000 ( 6537 PWs) bands (ev): -19.3696 -19.3696 -19.2651 -19.2647 -17.1384 -17.1332 -16.9279 -16.9267 -16.8087 -16.8084 -16.7239 -16.7192 -16.6820 -16.6815 -16.6459 -16.6458 -7.6223 -7.6221 -6.8962 -6.8935 -5.8580 -5.8497 -5.3207 -5.3183 -4.5823 -4.5786 -4.4454 -4.4410 -4.3658 -4.3656 -4.3284 -4.3248 -2.0609 -2.0546 -2.0494 -2.0432 -1.9048 -1.9008 -1.5652 -1.5645 -1.4076 -1.3967 -1.3953 -1.3927 -1.1376 -1.1276 -1.0736 -1.0735 -1.0489 -1.0441 -0.7134 -0.7077 0.0960 0.0989 0.3481 0.3527 0.4196 0.4250 0.4928 0.4931 0.6463 0.6510 0.7422 0.7491 8.2274 8.2275 9.9918 9.9942 10.1312 10.1421 10.3702 10.3729 10.4249 10.4257 10.8760 10.8772 k = 0.2998 0.3000-0.0000 ( 6543 PWs) bands (ev): -19.3612 -19.3612 -19.2646 -19.2641 -17.1355 -17.1302 -16.9422 -16.9410 -16.8094 -16.8090 -16.7279 -16.7232 -16.6836 -16.6832 -16.6468 -16.6467 -7.5746 -7.5743 -6.8979 -6.8952 -5.8582 -5.8499 -5.3578 -5.3553 -4.5637 -4.5602 -4.4256 -4.4213 -4.3605 -4.3601 -4.3237 -4.3201 -2.0605 -2.0556 -2.0512 -2.0441 -1.9068 -1.9023 -1.5968 -1.5962 -1.4186 -1.4085 -1.3968 -1.3928 -1.1560 -1.1460 -1.0805 -1.0804 -1.0398 -1.0353 -0.7225 -0.7169 0.1021 0.1047 0.3536 0.3582 0.4167 0.4201 0.4883 0.4904 0.6373 0.6421 0.7276 0.7346 8.3160 8.3162 9.9729 9.9751 10.1208 10.1324 10.3988 10.4007 10.4076 10.4116 10.8979 10.8984 k = 0.3109 0.3111-0.0000 ( 6545 PWs) bands (ev): -19.3529 -19.3529 -19.2640 -19.2636 -17.1326 -17.1273 -16.9563 -16.9551 -16.8100 -16.8097 -16.7319 -16.7272 -16.6853 -16.6849 -16.6477 -16.6476 -7.5261 -7.5259 -6.8996 -6.8970 -5.8588 -5.8505 -5.3958 -5.3931 -4.5458 -4.5425 -4.4063 -4.4019 -4.3545 -4.3538 -4.3183 -4.3148 -2.0691 -2.0645 -2.0432 -2.0363 -1.9088 -1.9041 -1.6276 -1.6271 -1.4307 -1.4209 -1.3980 -1.3935 -1.1749 -1.1652 -1.0874 -1.0874 -1.0297 -1.0256 -0.7327 -0.7273 0.1081 0.1106 0.3603 0.3649 0.4067 0.4083 0.4911 0.4945 0.6288 0.6336 0.7134 0.7204 8.4049 8.4050 9.9499 9.9520 10.1102 10.1222 10.3880 10.3913 10.4351 10.4390 10.9204 10.9205 k = 0.3220 0.3222-0.0000 ( 6549 PWs) bands (ev): -19.3448 -19.3448 -19.2635 -19.2631 -17.1297 -17.1244 -16.9700 -16.9689 -16.8107 -16.8104 -16.7358 -16.7311 -16.6869 -16.6865 -16.6486 -16.6485 -7.4772 -7.4770 -6.9013 -6.8988 -5.8597 -5.8515 -5.4345 -5.4317 -4.5288 -4.5256 -4.3876 -4.3831 -4.3475 -4.3465 -4.3123 -4.3090 -2.0787 -2.0744 -2.0333 -2.0266 -1.9109 -1.9059 -1.6573 -1.6569 -1.4434 -1.4338 -1.3996 -1.3946 -1.1944 -1.1851 -1.0947 -1.0944 -1.0186 -1.0149 -0.7437 -0.7385 0.1140 0.1163 0.3677 0.3725 0.3923 0.3925 0.4983 0.5025 0.6209 0.6256 0.6996 0.7067 8.4935 8.4937 9.9244 9.9265 10.0992 10.1116 10.3726 10.3764 10.4718 10.4750 10.9422 10.9428 k = 0.3331 0.3333-0.0000 ( 6548 PWs) bands (ev): -19.3368 -19.3368 -19.2630 -19.2626 -17.1268 -17.1216 -16.9834 -16.9822 -16.8113 -16.8110 -16.7396 -16.7350 -16.6884 -16.6881 -16.6494 -16.6493 -7.4279 -7.4277 -6.9031 -6.9007 -5.8612 -5.8530 -5.4737 -5.4707 -4.5127 -4.5098 -4.3699 -4.3653 -4.3393 -4.3380 -4.3058 -4.3026 -2.0886 -2.0846 -2.0222 -2.0155 -1.9132 -1.9080 -1.6858 -1.6854 -1.4562 -1.4468 -1.4016 -1.3964 -1.2143 -1.2055 -1.1022 -1.1017 -1.0067 -1.0034 -0.7553 -0.7504 0.1198 0.1217 0.3712 0.3742 0.3803 0.3817 0.5077 0.5122 0.6134 0.6182 0.6863 0.6935 8.5816 8.5818 9.8978 9.8998 10.0882 10.1007 10.3586 10.3630 10.5097 10.5123 10.9630 10.9641 k = 0.3442 0.3444-0.0000 ( 6552 PWs) bands (ev): -19.3291 -19.3291 -19.2626 -19.2622 -17.1240 -17.1189 -16.9962 -16.9951 -16.8119 -16.8116 -16.7433 -16.7388 -16.6899 -16.6896 -16.6502 -16.6501 -7.3784 -7.3783 -6.9049 -6.9026 -5.8631 -5.8550 -5.5133 -5.5100 -4.4978 -4.4952 -4.3537 -4.3493 -4.3293 -4.3279 -4.2988 -4.2958 -2.0986 -2.0950 -2.0099 -2.0034 -1.9155 -1.9103 -1.7129 -1.7125 -1.4692 -1.4600 -1.4040 -1.3987 -1.2347 -1.2265 -1.1100 -1.1092 -0.9941 -0.9911 -0.7672 -0.7625 0.1252 0.1270 0.3558 0.3563 0.3870 0.3905 0.5181 0.5226 0.6065 0.6112 0.6735 0.6807 8.6687 8.6689 9.8708 9.8727 10.0774 10.0898 10.3464 10.3513 10.5479 10.5500 10.9822 10.9837 k = 0.3553 0.3556-0.0000 ( 6546 PWs) bands (ev): -19.3217 -19.3217 -19.2621 -19.2617 -17.1213 -17.1162 -17.0086 -17.0074 -16.8125 -16.8122 -16.7468 -16.7424 -16.6913 -16.6910 -16.6510 -16.6509 -7.3290 -7.3289 -6.9067 -6.9045 -5.8657 -5.8575 -5.5528 -5.5494 -4.4843 -4.4820 -4.3392 -4.3355 -4.3170 -4.3159 -4.2916 -4.2886 -2.1086 -2.1053 -1.9966 -1.9902 -1.9179 -1.9128 -1.7384 -1.7381 -1.4820 -1.4730 -1.4067 -1.4014 -1.2554 -1.2479 -1.1180 -1.1170 -0.9810 -0.9783 -0.7791 -0.7747 0.1303 0.1319 0.3379 0.3379 0.3964 0.4000 0.5288 0.5332 0.6001 0.6048 0.6614 0.6685 8.7543 8.7546 9.8441 9.8460 10.0670 10.0792 10.3357 10.3409 10.5858 10.5875 10.9991 11.0009 k = 0.3664 0.3667-0.0000 ( 6544 PWs) bands (ev): -19.3146 -19.3146 -19.2617 -19.2613 -17.1187 -17.1137 -17.0203 -17.0191 -16.8130 -16.8128 -16.7501 -16.7459 -16.6927 -16.6924 -16.6517 -16.6516 -7.2799 -7.2798 -6.9084 -6.9063 -5.8689 -5.8608 -5.5920 -5.5883 -4.4721 -4.4701 -4.3264 -4.3238 -4.3028 -4.3024 -4.2841 -4.2813 -2.1185 -2.1155 -1.9824 -1.9761 -1.9205 -1.9155 -1.7622 -1.7620 -1.4944 -1.4858 -1.4098 -1.4045 -1.2764 -1.2696 -1.1263 -1.1251 -0.9675 -0.9651 -0.7907 -0.7866 0.1351 0.1364 0.3197 0.3200 0.4062 0.4099 0.5394 0.5436 0.5943 0.5988 0.6497 0.6568 8.8380 8.8383 9.8182 9.8200 10.0574 10.0692 10.3262 10.3316 10.6228 10.6240 11.0131 11.0151 k = 0.3775 0.3778-0.0000 ( 6540 PWs) bands (ev): -19.3079 -19.3079 -19.2613 -19.2609 -17.1161 -17.1113 -17.0314 -17.0301 -16.8135 -16.8133 -16.7533 -16.7493 -16.6939 -16.6936 -16.6523 -16.6522 -7.2314 -7.2312 -6.9101 -6.9081 -5.8730 -5.8650 -5.6304 -5.6265 -4.4613 -4.4596 -4.3147 -4.3130 -4.2883 -4.2883 -4.2766 -4.2738 -2.1281 -2.1254 -1.9673 -1.9613 -1.9232 -1.9184 -1.7841 -1.7840 -1.5065 -1.4982 -1.4130 -1.4079 -1.2975 -1.2916 -1.1349 -1.1334 -0.9539 -0.9518 -0.8018 -0.7980 0.1394 0.1404 0.3021 0.3025 0.4162 0.4198 0.5498 0.5537 0.5891 0.5934 0.6388 0.6458 8.9192 8.9195 9.7934 9.7951 10.0491 10.0603 10.3176 10.3229 10.6585 10.6593 11.0237 11.0260 k = 0.3886 0.3889-0.0000 ( 6532 PWs) bands (ev): -19.3016 -19.3016 -19.2609 -19.2606 -17.1138 -17.1091 -17.0417 -17.0404 -16.8140 -16.8137 -16.7562 -16.7525 -16.6951 -16.6948 -16.6529 -16.6529 -7.1837 -7.1835 -6.9117 -6.9099 -5.8783 -5.8704 -5.6673 -5.6631 -4.4520 -4.4505 -4.3037 -4.3025 -4.2743 -4.2743 -4.2691 -4.2662 -2.1374 -2.1349 -1.9516 -1.9458 -1.9262 -1.9217 -1.8040 -1.8040 -1.5178 -1.5100 -1.4162 -1.4114 -1.3188 -1.3136 -1.1434 -1.1418 -0.9403 -0.9385 -0.8122 -0.8087 0.1431 0.1439 0.2853 0.2859 0.4262 0.4297 0.5596 0.5634 0.5845 0.5886 0.6285 0.6353 8.9972 8.9976 9.7701 9.7717 10.0426 10.0531 10.3092 10.3145 10.6924 10.6928 11.0309 11.0331 k = 0.3998 0.4000-0.0000 ( 6538 PWs) bands (ev): -19.2958 -19.2957 -19.2605 -19.2603 -17.1115 -17.1070 -17.0513 -17.0499 -16.8144 -16.8142 -16.7589 -16.7554 -16.6962 -16.6959 -16.6535 -16.6534 -7.1373 -7.1372 -6.9132 -6.9115 -5.8853 -5.8775 -5.7018 -5.6975 -4.4439 -4.4426 -4.2930 -4.2923 -4.2624 -4.2624 -4.2603 -4.2575 -2.1462 -2.1440 -1.9355 -1.9300 -1.9293 -1.9252 -1.8219 -1.8218 -1.5284 -1.5211 -1.4195 -1.4150 -1.3401 -1.3357 -1.1519 -1.1503 -0.9271 -0.9254 -0.8218 -0.8186 0.1463 0.1469 0.2695 0.2702 0.4358 0.4393 0.5685 0.5723 0.5807 0.5842 0.6189 0.6256 9.0713 9.0717 9.7484 9.7499 10.0382 10.0481 10.3006 10.3058 10.7241 10.7242 11.0343 11.0365 k = 0.4109 0.4111-0.0000 ( 6554 PWs) bands (ev): -19.2904 -19.2904 -19.2602 -19.2600 -17.1095 -17.1051 -17.0601 -17.0586 -16.8148 -16.8146 -16.7614 -16.7582 -16.6972 -16.6969 -16.6540 -16.6539 -7.0926 -7.0925 -6.9146 -6.9131 -5.8945 -5.8871 -5.7328 -5.7284 -4.4370 -4.4360 -4.2829 -4.2825 -4.2552 -4.2542 -4.2481 -4.2465 -2.1544 -2.1524 -1.9331 -1.9295 -1.9189 -1.9136 -1.8375 -1.8372 -1.5380 -1.5312 -1.4227 -1.4186 -1.3612 -1.3575 -1.1602 -1.1585 -0.9144 -0.9130 -0.8304 -0.8276 0.1487 0.1491 0.2551 0.2559 0.4452 0.4485 0.5739 0.5788 0.5802 0.5820 0.6101 0.6165 9.1407 9.1411 9.7286 9.7299 10.0365 10.0456 10.2913 10.2964 10.7530 10.7532 11.0343 11.0364 k = 0.4220 0.4222-0.0000 ( 6562 PWs) bands (ev): -19.2856 -19.2856 -19.2599 -19.2597 -17.1076 -17.1034 -17.0679 -17.0664 -16.8151 -16.8149 -16.7636 -16.7607 -16.6980 -16.6979 -16.6545 -16.6544 -7.0502 -7.0501 -6.9158 -6.9145 -5.9065 -5.8997 -5.7589 -5.7548 -4.4312 -4.4304 -4.2734 -4.2732 -4.2487 -4.2476 -4.2368 -4.2355 -2.1619 -2.1601 -1.9369 -1.9338 -1.9026 -1.8977 -1.8507 -1.8502 -1.5465 -1.5402 -1.4258 -1.4221 -1.3818 -1.3788 -1.1681 -1.1664 -0.9025 -0.9012 -0.8379 -0.8355 0.1504 0.1506 0.2423 0.2431 0.4540 0.4573 0.5721 0.5761 0.5866 0.5885 0.6023 0.6082 9.2045 9.2049 9.7108 9.7120 10.0379 10.0464 10.2808 10.2857 10.7789 10.7794 11.0313 11.0332 k = 0.4331 0.4333-0.0000 ( 6552 PWs) bands (ev): -19.2814 -19.2813 -19.2597 -19.2595 -17.1059 -17.1019 -17.0749 -17.0732 -16.8154 -16.8153 -16.7655 -16.7629 -16.6988 -16.6986 -16.6549 -16.6548 -7.0106 -7.0105 -6.9169 -6.9158 -5.9215 -5.9156 -5.7795 -5.7759 -4.4264 -4.4257 -4.2647 -4.2646 -4.2428 -4.2418 -4.2267 -4.2256 -2.1686 -2.1671 -1.9409 -1.9384 -1.8866 -1.8823 -1.8615 -1.8608 -1.5536 -1.5479 -1.4286 -1.4258 -1.4013 -1.3993 -1.1754 -1.1738 -0.8916 -0.8905 -0.8444 -0.8423 0.1512 0.1513 0.2313 0.2322 0.4623 0.4654 0.5694 0.5727 0.5932 0.5934 0.5971 0.6008 9.2617 9.2622 9.6951 9.6962 10.0430 10.0507 10.2687 10.2734 10.8017 10.8023 11.0259 11.0276 k = 0.4442 0.4444-0.0000 ( 6548 PWs) bands (ev): -19.2777 -19.2777 -19.2595 -19.2593 -17.1044 -17.1006 -17.0809 -17.0790 -16.8157 -16.8155 -16.7671 -16.7649 -16.6995 -16.6993 -16.6552 -16.6551 -6.9748 -6.9747 -6.9179 -6.9169 -5.9387 -5.9340 -5.7944 -5.7917 -4.4225 -4.4219 -4.2570 -4.2570 -4.2376 -4.2367 -4.2179 -4.2170 -2.1744 -2.1731 -1.9450 -1.9431 -1.8721 -1.8711 -1.8695 -1.8658 -1.5594 -1.5544 -1.4318 -1.4305 -1.4183 -1.4178 -1.1818 -1.1804 -0.8819 -0.8810 -0.8498 -0.8481 0.1510 0.1512 0.2224 0.2233 0.4698 0.4727 0.5669 0.5694 0.5890 0.5937 0.5998 0.6015 9.3116 9.3121 9.6817 9.6826 10.0519 10.0590 10.2545 10.2591 10.8210 10.8218 11.0191 11.0205 k = 0.4553 0.4556-0.0000 ( 6548 PWs) bands (ev): -19.2747 -19.2747 -19.2593 -19.2591 -17.1031 -17.0996 -17.0858 -17.0838 -16.8159 -16.8158 -16.7683 -16.7666 -16.7000 -16.6999 -16.6555 -16.6554 -6.9434 -6.9434 -6.9187 -6.9179 -5.9566 -5.9530 -5.8047 -5.8028 -4.4193 -4.4189 -4.2505 -4.2505 -4.2331 -4.2324 -4.2106 -4.2099 -2.1792 -2.1782 -1.9490 -1.9475 -1.8768 -1.8763 -1.8575 -1.8539 -1.5636 -1.5593 -1.4413 -1.4398 -1.4295 -1.4273 -1.1873 -1.1861 -0.8736 -0.8729 -0.8542 -0.8528 0.1502 0.1505 0.2156 0.2164 0.4765 0.4791 0.5644 0.5661 0.5846 0.5884 0.6047 0.6061 9.3533 9.3537 9.6706 9.6714 10.0648 10.0712 10.2381 10.2427 10.8369 10.8376 11.0118 11.0129 k = 0.4664 0.4667-0.0000 ( 6552 PWs) bands (ev): -19.2723 -19.2723 -19.2591 -19.2590 -17.1021 -17.0988 -17.0897 -17.0876 -16.8160 -16.8159 -16.7693 -16.7680 -16.7004 -16.7003 -16.6557 -16.6557 -6.9196 -6.9191 -6.9172 -6.9172 -5.9731 -5.9706 -5.8115 -5.8102 -4.4169 -4.4166 -4.2453 -4.2453 -4.2296 -4.2291 -4.2049 -4.2043 -2.1831 -2.1823 -1.9524 -1.9514 -1.8814 -1.8809 -1.8458 -1.8429 -1.5663 -1.5629 -1.4550 -1.4536 -1.4325 -1.4306 -1.1918 -1.1908 -0.8669 -0.8664 -0.8575 -0.8565 0.1489 0.1492 0.2108 0.2115 0.4822 0.4844 0.5622 0.5631 0.5813 0.5841 0.6088 0.6098 9.3862 9.3866 9.6620 9.6625 10.0812 10.0870 10.2196 10.2241 10.8492 10.8498 11.0049 11.0057 k = 0.4775 0.4778-0.0000 ( 6560 PWs) bands (ev): -19.2706 -19.2706 -19.2590 -19.2589 -17.1011 -17.0984 -17.0925 -17.0905 -16.8161 -16.8161 -16.7699 -16.7690 -16.7007 -16.7007 -16.6558 -16.6558 -6.9197 -6.9193 -6.8981 -6.8981 -5.9863 -5.9847 -5.8158 -5.8150 -4.4152 -4.4151 -4.2415 -4.2415 -4.2270 -4.2266 -4.2007 -4.2003 -2.1858 -2.1853 -1.9551 -1.9544 -1.8845 -1.8841 -1.8365 -1.8345 -1.5676 -1.5652 -1.4664 -1.4655 -1.4338 -1.4325 -1.1950 -1.1943 -0.8621 -0.8616 -0.8597 -0.8592 0.1476 0.1479 0.2077 0.2082 0.4867 0.4884 0.5602 0.5605 0.5793 0.5810 0.6118 0.6125 9.4099 9.4102 9.6557 9.6561 10.1005 10.1057 10.1994 10.2037 10.8579 10.8584 10.9993 10.9999 k = 0.4886 0.4889-0.0000 ( 6572 PWs) bands (ev): -19.2695 -19.2695 -19.2589 -19.2589 -17.1003 -17.0986 -17.0937 -17.0924 -16.8162 -16.8162 -16.7702 -16.7698 -16.7009 -16.7009 -16.6559 -16.6559 -6.9199 -6.9197 -6.8860 -6.8859 -5.9948 -5.9940 -5.8181 -5.8177 -4.4142 -4.4141 -4.2391 -4.2391 -4.2253 -4.2252 -4.1981 -4.1979 -2.1874 -2.1872 -1.9567 -1.9564 -1.8863 -1.8861 -1.8304 -1.8294 -1.5679 -1.5666 -1.4739 -1.4734 -1.4344 -1.4337 -1.1969 -1.1965 -0.8614 -0.8610 -0.8587 -0.8586 0.1467 0.1468 0.2061 0.2063 0.4898 0.4907 0.5587 0.5588 0.5782 0.5790 0.6136 0.6140 9.4243 9.4245 9.6520 9.6522 10.1209 10.1252 10.1792 10.1830 10.8632 10.8635 10.9957 10.9960 k = 0.4997 0.5000-0.0000 ( 6576 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0935 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1356 10.1358 10.1682 10.1684 10.8651 10.8651 10.9945 10.9945 k = 0.4997 0.5000-0.0000 ( 6576 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0935 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1356 10.1358 10.1682 10.1684 10.8651 10.8651 10.9945 10.9945 k = 0.4841 0.5000-0.0000 ( 6572 PWs) bands (ev): -19.2694 -19.2694 -19.2591 -19.2591 -17.1000 -17.0988 -17.0935 -17.0926 -16.8162 -16.8162 -16.7702 -16.7697 -16.7009 -16.7009 -16.6559 -16.6559 -6.9222 -6.9218 -6.8835 -6.8833 -5.9962 -5.9955 -5.8169 -5.8167 -4.4144 -4.4142 -4.2392 -4.2391 -4.2256 -4.2253 -4.1977 -4.1975 -2.1875 -2.1873 -1.9570 -1.9563 -1.8887 -1.8876 -1.8279 -1.8269 -1.5669 -1.5659 -1.4780 -1.4742 -1.4350 -1.4303 -1.1968 -1.1965 -0.8661 -0.8652 -0.8550 -0.8541 0.1466 0.1467 0.2063 0.2065 0.4905 0.4911 0.5581 0.5582 0.5777 0.5783 0.6141 0.6146 9.4268 9.4270 9.6479 9.6482 10.1267 10.1304 10.1744 10.1778 10.8646 10.8648 10.9944 10.9958 k = 0.4685 0.5000-0.0000 ( 6560 PWs) bands (ev): -19.2700 -19.2700 -19.2596 -19.2595 -17.1005 -17.0985 -17.0923 -17.0910 -16.8162 -16.8161 -16.7700 -16.7690 -16.7008 -16.7007 -16.6558 -16.6558 -6.9285 -6.9278 -6.8885 -6.8880 -5.9915 -5.9903 -5.8114 -5.8109 -4.4158 -4.4155 -4.2415 -4.2413 -4.2278 -4.2272 -4.1992 -4.1989 -2.1863 -2.1859 -1.9556 -1.9542 -1.8931 -1.8910 -1.8269 -1.8252 -1.5642 -1.5621 -1.4790 -1.4724 -1.4315 -1.4232 -1.1949 -1.1942 -0.8724 -0.8715 -0.8512 -0.8502 0.1474 0.1476 0.2086 0.2089 0.4892 0.4904 0.5580 0.5583 0.5771 0.5783 0.6138 0.6147 9.4198 9.4201 9.6396 9.6400 10.1135 10.1182 10.1888 10.1928 10.8634 10.8638 10.9954 10.9980 k = 0.4528 0.5000-0.0000 ( 6558 PWs) bands (ev): -19.2710 -19.2709 -19.2604 -19.2603 -17.1007 -17.0983 -17.0903 -17.0888 -16.8162 -16.8161 -16.7694 -16.7679 -16.7005 -16.7004 -16.6556 -16.6556 -6.9385 -6.9376 -6.8965 -6.8959 -5.9838 -5.9819 -5.8024 -5.8016 -4.4181 -4.4177 -4.2453 -4.2450 -4.2315 -4.2306 -4.2017 -4.2013 -2.1842 -2.1836 -1.9530 -1.9510 -1.8990 -1.8964 -1.8253 -1.8232 -1.5594 -1.5561 -1.4790 -1.4711 -1.4238 -1.4132 -1.1915 -1.1906 -0.8795 -0.8787 -0.8482 -0.8471 0.1487 0.1490 0.2123 0.2128 0.4873 0.4891 0.5576 0.5582 0.5763 0.5782 0.6134 0.6147 9.4086 9.4090 9.6258 9.6264 10.1002 10.1053 10.2051 10.2092 10.8618 10.8623 10.9974 11.0010 k = 0.4372 0.5000-0.0000 ( 6552 PWs) bands (ev): -19.2723 -19.2723 -19.2616 -19.2615 -17.1006 -17.0978 -17.0876 -17.0861 -16.8162 -16.8160 -16.7684 -16.7664 -16.7002 -16.7000 -16.6554 -16.6554 -6.9520 -6.9508 -6.9075 -6.9068 -5.9731 -5.9706 -5.7899 -5.7890 -4.4212 -4.4208 -4.2506 -4.2502 -4.2365 -4.2353 -4.2050 -4.2044 -2.1813 -2.1805 -1.9494 -1.9468 -1.9060 -1.9031 -1.8238 -1.8214 -1.5528 -1.5483 -1.4780 -1.4700 -1.4123 -1.4007 -1.1869 -1.1857 -0.8874 -0.8866 -0.8458 -0.8447 0.1506 0.1509 0.2175 0.2181 0.4850 0.4872 0.5569 0.5580 0.5753 0.5781 0.6130 0.6146 9.3935 9.3941 9.6067 9.6075 10.0879 10.0932 10.2217 10.2259 10.8598 10.8604 11.0001 11.0044 k = 0.4216 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.2740 -19.2739 -19.2630 -19.2629 -17.1001 -17.0972 -17.0845 -17.0830 -16.8161 -16.8159 -16.7671 -16.7647 -16.6997 -16.6995 -16.6551 -16.6550 -6.9684 -6.9670 -6.9213 -6.9206 -5.9596 -5.9567 -5.7745 -5.7734 -4.4252 -4.4247 -4.2572 -4.2568 -4.2429 -4.2414 -4.2092 -4.2084 -2.1776 -2.1767 -1.9448 -1.9416 -1.9132 -1.9104 -1.8227 -1.8201 -1.5449 -1.5390 -1.4758 -1.4683 -1.3978 -1.3858 -1.1811 -1.1796 -0.8959 -0.8952 -0.8442 -0.8429 0.1529 0.1533 0.2239 0.2246 0.4825 0.4851 0.5557 0.5575 0.5743 0.5779 0.6126 0.6145 9.3749 9.3756 9.5826 9.5835 10.0767 10.0822 10.2383 10.2424 10.8577 10.8584 11.0030 11.0077 k = 0.4060 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.2760 -19.2760 -19.2648 -19.2646 -17.0993 -17.0962 -17.0809 -17.0794 -16.8160 -16.8158 -16.7655 -16.7628 -16.6991 -16.6989 -16.6547 -16.6546 -6.9873 -6.9858 -6.9377 -6.9370 -5.9438 -5.9404 -5.7564 -5.7552 -4.4300 -4.4294 -4.2652 -4.2646 -4.2505 -4.2488 -4.2140 -4.2131 -2.1733 -2.1723 -1.9394 -1.9355 -1.9202 -1.9179 -1.8221 -1.8193 -1.5364 -1.5291 -1.4719 -1.4651 -1.3808 -1.3688 -1.1743 -1.1725 -0.9050 -0.9044 -0.8432 -0.8419 0.1556 0.1560 0.2315 0.2323 0.4799 0.4827 0.5540 0.5566 0.5733 0.5778 0.6121 0.6143 9.3533 9.3541 9.5540 9.5549 10.0666 10.0723 10.2544 10.2585 10.8558 10.8565 11.0055 11.0103 k = 0.3904 0.5000-0.0000 ( 6546 PWs) bands (ev): -19.2783 -19.2783 -19.2668 -19.2666 -17.0982 -17.0950 -17.0769 -17.0755 -16.8158 -16.8156 -16.7637 -16.7606 -16.6984 -16.6981 -16.6542 -16.6542 -7.0083 -7.0067 -6.9565 -6.9558 -5.9257 -5.9220 -5.7359 -5.7346 -4.4356 -4.4349 -4.2744 -4.2737 -4.2593 -4.2573 -4.2196 -4.2185 -2.1686 -2.1673 -1.9346 -1.9296 -1.9250 -1.9243 -1.8220 -1.8192 -1.5284 -1.5199 -1.4653 -1.4594 -1.3619 -1.3500 -1.1665 -1.1646 -0.9145 -0.9140 -0.8428 -0.8413 0.1586 0.1590 0.2400 0.2409 0.4773 0.4805 0.5518 0.5551 0.5724 0.5778 0.6116 0.6141 9.3291 9.3300 9.5214 9.5223 10.0576 10.0633 10.2702 10.2742 10.8541 10.8547 11.0069 11.0115 k = 0.3748 0.5000-0.0000 ( 6546 PWs) bands (ev): -19.2810 -19.2809 -19.2691 -19.2689 -17.0969 -17.0935 -17.0727 -17.0713 -16.8156 -16.8154 -16.7615 -16.7582 -16.6975 -16.6973 -16.6537 -16.6536 -7.0310 -7.0294 -6.9774 -6.9766 -5.9059 -5.9017 -5.7135 -5.7121 -4.4419 -4.4411 -4.2847 -4.2839 -4.2693 -4.2670 -4.2257 -4.2245 -2.1635 -2.1621 -1.9363 -1.9322 -1.9230 -1.9195 -1.8224 -1.8194 -1.5217 -1.5127 -1.4554 -1.4504 -1.3416 -1.3298 -1.1580 -1.1558 -0.9244 -0.9239 -0.8429 -0.8412 0.1616 0.1621 0.2495 0.2504 0.4750 0.4784 0.5493 0.5532 0.5717 0.5776 0.6112 0.6138 9.3028 9.3037 9.4853 9.4861 10.0493 10.0551 10.2856 10.2895 10.8528 10.8534 11.0066 11.0108 k = 0.3592 0.5000-0.0000 ( 6542 PWs) bands (ev): -19.2838 -19.2837 -19.2716 -19.2714 -17.0953 -17.0918 -17.0681 -17.0668 -16.8154 -16.8152 -16.7592 -16.7556 -16.6965 -16.6962 -16.6531 -16.6530 -7.0550 -7.0535 -6.9999 -6.9991 -5.8844 -5.8800 -5.6894 -5.6879 -4.4488 -4.4480 -4.2961 -4.2952 -4.2801 -4.2777 -4.2324 -4.2311 -2.1583 -2.1568 -1.9409 -1.9377 -1.9152 -1.9111 -1.8232 -1.8200 -1.5166 -1.5079 -1.4421 -1.4381 -1.3203 -1.3086 -1.1488 -1.1465 -0.9343 -0.9340 -0.8433 -0.8414 0.1646 0.1652 0.2595 0.2605 0.4732 0.4768 0.5464 0.5508 0.5710 0.5774 0.6108 0.6137 9.2748 9.2757 9.4463 9.4472 10.0415 10.0474 10.3005 10.3043 10.8520 10.8524 11.0044 11.0080 k = 0.3435 0.5000-0.0000 ( 6539 PWs) bands (ev): -19.2869 -19.2868 -19.2743 -19.2741 -17.0935 -17.0900 -17.0634 -17.0620 -16.8151 -16.8149 -16.7566 -16.7529 -16.6953 -16.6950 -16.6524 -16.6523 -7.0801 -7.0785 -7.0238 -7.0230 -5.8617 -5.8570 -5.6640 -5.6624 -4.4563 -4.4554 -4.3085 -4.3074 -4.2918 -4.2892 -4.2397 -4.2382 -2.1532 -2.1517 -1.9448 -1.9421 -1.9062 -1.9019 -1.8242 -1.8208 -1.5130 -1.5050 -1.4262 -1.4232 -1.2984 -1.2869 -1.1392 -1.1367 -0.9440 -0.9438 -0.8440 -0.8417 0.1673 0.1680 0.2700 0.2710 0.4722 0.4759 0.5433 0.5481 0.5704 0.5770 0.6105 0.6136 9.2454 9.2464 9.4052 9.4060 10.0342 10.0401 10.3151 10.3188 10.8515 10.8518 11.0000 11.0031 k = 0.3279 0.5000-0.0000 ( 6544 PWs) bands (ev): -19.2901 -19.2900 -19.2771 -19.2770 -17.0915 -17.0880 -17.0585 -17.0571 -16.8148 -16.8145 -16.7539 -16.7501 -16.6939 -16.6937 -16.6516 -16.6516 -7.1058 -7.1043 -7.0487 -7.0480 -5.8380 -5.8331 -5.6374 -5.6358 -4.4644 -4.4634 -4.3217 -4.3205 -4.3042 -4.3015 -4.2474 -4.2458 -2.1485 -2.1469 -1.9474 -1.9451 -1.8965 -1.8921 -1.8251 -1.8216 -1.5105 -1.5032 -1.4089 -1.4067 -1.2763 -1.2649 -1.1292 -1.1265 -0.9534 -0.9531 -0.8447 -0.8421 0.1695 0.1704 0.2808 0.2818 0.4719 0.4759 0.5402 0.5453 0.5697 0.5764 0.6104 0.6138 9.2149 9.2160 9.3624 9.3632 10.0271 10.0331 10.3294 10.3330 10.8513 10.8516 10.9938 10.9964 k = 0.3123 0.5000-0.0000 ( 6546 PWs) bands (ev): -19.2936 -19.2935 -19.2802 -19.2800 -17.0894 -17.0859 -17.0535 -17.0520 -16.8144 -16.8141 -16.7511 -16.7472 -16.6924 -16.6921 -16.6508 -16.6508 -7.1320 -7.1305 -7.0743 -7.0736 -5.8135 -5.8085 -5.6101 -5.6085 -4.4729 -4.4719 -4.3357 -4.3343 -4.3171 -4.3143 -4.2555 -4.2537 -2.1443 -2.1427 -1.9484 -1.9465 -1.8861 -1.8817 -1.8260 -1.8223 -1.5085 -1.5021 -1.3913 -1.3893 -1.2546 -1.2435 -1.1191 -1.1162 -0.9618 -0.9613 -0.8453 -0.8424 0.1710 0.1721 0.2916 0.2925 0.4728 0.4770 0.5371 0.5423 0.5689 0.5756 0.6105 0.6141 9.1838 9.1849 9.3186 9.3193 10.0202 10.0262 10.3435 10.3470 10.8513 10.8517 10.9858 10.9881 k = 0.2967 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.2971 -19.2970 -19.2833 -19.2831 -17.0872 -17.0837 -17.0484 -17.0469 -16.8140 -16.8136 -16.7483 -16.7443 -16.6906 -16.6903 -16.6500 -16.6499 -7.1583 -7.1568 -7.1003 -7.0997 -5.7885 -5.7833 -5.5822 -5.5806 -4.4818 -4.4807 -4.3503 -4.3488 -4.3304 -4.3276 -4.2639 -4.2621 -2.1410 -2.1394 -1.9477 -1.9460 -1.8753 -1.8711 -1.8264 -1.8226 -1.5070 -1.5012 -1.3741 -1.3720 -1.2340 -1.2232 -1.1090 -1.1056 -0.9687 -0.9681 -0.8457 -0.8423 0.1717 0.1729 0.3022 0.3032 0.4747 0.4792 0.5340 0.5394 0.5681 0.5746 0.6109 0.6147 9.1523 9.1534 9.2742 9.2748 10.0135 10.0196 10.3574 10.3609 10.8513 10.8519 10.9766 10.9787 k = 0.2811 0.5000-0.0000 ( 6552 PWs) bands (ev): -19.3007 -19.3006 -19.2866 -19.2864 -17.0850 -17.0815 -17.0432 -17.0417 -16.8135 -16.8130 -16.7454 -16.7415 -16.6885 -16.6883 -16.6490 -16.6489 -7.1845 -7.1832 -7.1265 -7.1259 -5.7632 -5.7579 -5.5539 -5.5523 -4.4911 -4.4899 -4.3655 -4.3639 -4.3440 -4.3412 -4.2726 -4.2707 -2.1385 -2.1370 -1.9454 -1.9437 -1.8642 -1.8605 -1.8261 -1.8221 -1.5056 -1.5005 -1.3579 -1.3556 -1.2152 -1.2052 -1.0988 -1.0946 -0.9734 -0.9726 -0.8457 -0.8418 0.1713 0.1727 0.3124 0.3134 0.4779 0.4826 0.5312 0.5366 0.5674 0.5736 0.6115 0.6156 9.1205 9.1216 9.2298 9.2304 10.0071 10.0131 10.3712 10.3746 10.8513 10.8522 10.9665 10.9687 k = 0.2655 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.3044 -19.3042 -19.2899 -19.2896 -17.0827 -17.0793 -17.0381 -17.0365 -16.8130 -16.8124 -16.7426 -16.7388 -16.6863 -16.6861 -16.6480 -16.6479 -7.2105 -7.2092 -7.1526 -7.1520 -5.7378 -5.7324 -5.5255 -5.5238 -4.5005 -4.4993 -4.3811 -4.3794 -4.3578 -4.3549 -4.2814 -4.2795 -2.1371 -2.1356 -1.9416 -1.9398 -1.8532 -1.8504 -1.8245 -1.8203 -1.5043 -1.4997 -1.3431 -1.3407 -1.1997 -1.1908 -1.0880 -1.0827 -0.9753 -0.9742 -0.8452 -0.8407 0.1698 0.1714 0.3221 0.3230 0.4822 0.4872 0.5287 0.5341 0.5667 0.5727 0.6125 0.6169 9.0887 9.0899 9.1858 9.1864 10.0010 10.0069 10.3850 10.3882 10.8512 10.8524 10.9559 10.9584 k = 0.2498 0.5000-0.0000 ( 6538 PWs) bands (ev): -19.3080 -19.3079 -19.2932 -19.2930 -17.0804 -17.0771 -17.0331 -17.0315 -16.8125 -16.8118 -16.7398 -16.7362 -16.6839 -16.6836 -16.6470 -16.6469 -7.2360 -7.2347 -7.1784 -7.1778 -5.7124 -5.7070 -5.4971 -5.4954 -4.5101 -4.5088 -4.3971 -4.3954 -4.3716 -4.3688 -4.2904 -4.2884 -2.1366 -2.1351 -1.9367 -1.9345 -1.8430 -1.8417 -1.8207 -1.8161 -1.5031 -1.4990 -1.3302 -1.3277 -1.1888 -1.1814 -1.0757 -1.0691 -0.9740 -0.9726 -0.8440 -0.8389 0.1672 0.1690 0.3309 0.3318 0.4875 0.4928 0.5266 0.5318 0.5664 0.5720 0.6140 0.6186 9.0571 9.0582 9.1427 9.1432 9.9951 10.0010 10.3988 10.4018 10.8508 10.8524 10.9453 10.9482 k = 0.2342 0.5000-0.0000 ( 6540 PWs) bands (ev): -19.3117 -19.3115 -19.2965 -19.2963 -17.0782 -17.0750 -17.0282 -17.0265 -16.8119 -16.8112 -16.7372 -16.7337 -16.6813 -16.6810 -16.6459 -16.6458 -7.2608 -7.2596 -7.2036 -7.2031 -5.6873 -5.6819 -5.4688 -5.4672 -4.5198 -4.5184 -4.4133 -4.4115 -4.3853 -4.3825 -4.2994 -4.2974 -2.1369 -2.1355 -1.9309 -1.9284 -1.8357 -1.8338 -1.8137 -1.8086 -1.5020 -1.4982 -1.3194 -1.3170 -1.1834 -1.1775 -1.0611 -1.0534 -0.9696 -0.9677 -0.8420 -0.8362 0.1635 0.1654 0.3387 0.3396 0.4933 0.4991 0.5248 0.5300 0.5666 0.5718 0.6159 0.6207 9.0257 9.0269 9.1010 9.1015 9.9896 9.9955 10.4125 10.4154 10.8501 10.8521 10.9351 10.9385 k = 0.2186 0.5000-0.0000 ( 6530 PWs) bands (ev): -19.3152 -19.3151 -19.2997 -19.2995 -17.0760 -17.0729 -17.0234 -17.0217 -16.8113 -16.8105 -16.7347 -16.7314 -16.6785 -16.6781 -16.6448 -16.6447 -7.2848 -7.2837 -7.2281 -7.2276 -5.6627 -5.6573 -5.4409 -5.4393 -4.5295 -4.5280 -4.4297 -4.4279 -4.3988 -4.3962 -4.3083 -4.3063 -2.1379 -2.1365 -1.9249 -1.9221 -1.8300 -1.8269 -1.8037 -1.7983 -1.5008 -1.4974 -1.3110 -1.3087 -1.1835 -1.1789 -1.0441 -1.0359 -0.9625 -0.9599 -0.8392 -0.8327 0.1588 0.1607 0.3455 0.3464 0.4993 0.5055 0.5235 0.5285 0.5676 0.5723 0.6184 0.6233 8.9947 8.9958 9.0612 9.0616 9.9846 9.9903 10.4262 10.4290 10.8491 10.8516 10.9254 10.9294 k = 0.2030 0.5000-0.0000 ( 6530 PWs) bands (ev): -19.3187 -19.3186 -19.3029 -19.3027 -17.0739 -17.0710 -17.0189 -17.0172 -16.8106 -16.8098 -16.7323 -16.7293 -16.6756 -16.6751 -16.6436 -16.6436 -7.3078 -7.3068 -7.2516 -7.2511 -5.6386 -5.6333 -5.4135 -5.4120 -4.5390 -4.5375 -4.4460 -4.4443 -4.4121 -4.4095 -4.3171 -4.3151 -2.1393 -2.1381 -1.9191 -1.9160 -1.8239 -1.8202 -1.7919 -1.7864 -1.4998 -1.4967 -1.3049 -1.3029 -1.1881 -1.1844 -1.0254 -1.0173 -0.9535 -0.9498 -0.8357 -0.8283 0.1532 0.1552 0.3511 0.3520 0.5049 0.5116 0.5226 0.5275 0.5698 0.5739 0.6214 0.6264 8.9641 8.9651 9.0236 9.0239 9.9801 9.9856 10.4399 10.4425 10.8479 10.8510 10.9164 10.9211 k = 0.1874 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.3221 -19.3220 -19.3060 -19.3058 -17.0719 -17.0691 -17.0145 -17.0129 -16.8100 -16.8091 -16.7302 -16.7274 -16.6726 -16.6720 -16.6425 -16.6424 -7.3297 -7.3287 -7.2741 -7.2736 -5.6152 -5.6101 -5.3868 -5.3853 -4.5484 -4.5468 -4.4623 -4.4606 -4.4249 -4.4225 -4.3256 -4.3237 -2.1412 -2.1400 -1.9139 -1.9108 -1.8165 -1.8125 -1.7791 -1.7738 -1.4988 -1.4959 -1.3012 -1.2995 -1.1959 -1.1929 -1.0058 -0.9985 -0.9431 -0.9378 -0.8313 -0.8232 0.1469 0.1489 0.3556 0.3565 0.5094 0.5165 0.5223 0.5270 0.5735 0.5770 0.6250 0.6300 8.9338 8.9347 8.9888 8.9890 9.9760 9.9814 10.4535 10.4560 10.8467 10.8504 10.9083 10.9135 k = 0.1718 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.3253 -19.3252 -19.3089 -19.3087 -17.0701 -17.0674 -17.0105 -17.0089 -16.8093 -16.8085 -16.7282 -16.7257 -16.6695 -16.6688 -16.6413 -16.6413 -7.3503 -7.3494 -7.2953 -7.2948 -5.5928 -5.5879 -5.3610 -5.3595 -4.5575 -4.5558 -4.4783 -4.4767 -4.4372 -4.4350 -4.3338 -4.3320 -2.1432 -2.1421 -1.9097 -1.9066 -1.8075 -1.8035 -1.7659 -1.7608 -1.4980 -1.4953 -1.2997 -1.2982 -1.2058 -1.2033 -0.9864 -0.9804 -0.9317 -0.9245 -0.8263 -0.8174 0.1401 0.1421 0.3591 0.3599 0.5125 0.5188 0.5234 0.5272 0.5787 0.5816 0.6292 0.6340 8.9040 8.9048 8.9570 8.9572 9.9725 9.9776 10.4670 10.4693 10.8457 10.8499 10.9009 10.9065 k = 0.1562 0.5000-0.0000 ( 6528 PWs) bands (ev): -19.3283 -19.3283 -19.3117 -19.3115 -17.0683 -17.0659 -17.0067 -17.0051 -16.8086 -16.8078 -16.7264 -16.7242 -16.6665 -16.6657 -16.6402 -16.6402 -7.3695 -7.3688 -7.3151 -7.3147 -5.5715 -5.5668 -5.3361 -5.3348 -4.5663 -4.5645 -4.4940 -4.4925 -4.4489 -4.4469 -4.3415 -4.3398 -2.1453 -2.1443 -1.9065 -1.9035 -1.7970 -1.7932 -1.7526 -1.7478 -1.4974 -1.4948 -1.3002 -1.2989 -1.2170 -1.2149 -0.9681 -0.9638 -0.9194 -0.9101 -0.8209 -0.8111 0.1330 0.1350 0.3615 0.3624 0.5142 0.5187 0.5256 0.5280 0.5854 0.5877 0.6338 0.6384 8.8751 8.8757 8.9284 8.9286 9.9695 9.9744 10.4804 10.4824 10.8452 10.8497 10.8943 10.8999 k = 0.1405 0.5000-0.0000 ( 6522 PWs) bands (ev): -19.3312 -19.3311 -19.3143 -19.3142 -17.0667 -17.0644 -17.0032 -17.0017 -16.8080 -16.8072 -16.7248 -16.7229 -16.6635 -16.6627 -16.6391 -16.6391 -7.3873 -7.3866 -7.3334 -7.3330 -5.5515 -5.5470 -5.3126 -5.3113 -4.5746 -4.5729 -4.5092 -4.5077 -4.4599 -4.4581 -4.3488 -4.3472 -2.1474 -2.1465 -1.9041 -1.9014 -1.7853 -1.7819 -1.7393 -1.7349 -1.4970 -1.4946 -1.3024 -1.3012 -1.2287 -1.2271 -0.9515 -0.9490 -0.9063 -0.8950 -0.8151 -0.8047 0.1258 0.1276 0.3631 0.3639 0.5147 0.5179 0.5274 0.5291 0.5929 0.5947 0.6388 0.6431 8.8473 8.8479 8.9028 8.9030 9.9671 9.9716 10.4934 10.4952 10.8454 10.8500 10.8884 10.8937 k = 0.1249 0.5000-0.0000 ( 6532 PWs) bands (ev): -19.3338 -19.3337 -19.3167 -19.3166 -17.0652 -17.0632 -17.0000 -16.9987 -16.8074 -16.8066 -16.7234 -16.7217 -16.6606 -16.6598 -16.6381 -16.6380 -7.4034 -7.4028 -7.3501 -7.3497 -5.5329 -5.5287 -5.2905 -5.2892 -4.5825 -4.5807 -4.5236 -4.5223 -4.4700 -4.4684 -4.3555 -4.3541 -2.1494 -2.1486 -1.9025 -1.9001 -1.7730 -1.7699 -1.7263 -1.7223 -1.4969 -1.4946 -1.3060 -1.3048 -1.2406 -1.2392 -0.9374 -0.9362 -0.8925 -0.8795 -0.8093 -0.7983 0.1187 0.1204 0.3640 0.3648 0.5145 0.5168 0.5287 0.5302 0.6009 0.6023 0.6440 0.6480 8.8213 8.8218 8.8801 8.8804 9.9651 9.9693 10.5061 10.5077 10.8463 10.8507 10.8834 10.8877 k = 0.1093 0.5000-0.0000 ( 6538 PWs) bands (ev): -19.3361 -19.3360 -19.3188 -19.3187 -17.0638 -17.0620 -16.9972 -16.9960 -16.8068 -16.8061 -16.7222 -16.7207 -16.6579 -16.6571 -16.6371 -16.6371 -7.4179 -7.4173 -7.3650 -7.3647 -5.5158 -5.5120 -5.2700 -5.2689 -4.5897 -4.5880 -4.5372 -4.5360 -4.4792 -4.4778 -4.3616 -4.3603 -2.1513 -2.1506 -1.9015 -1.8994 -1.7604 -1.7578 -1.7137 -1.7101 -1.4971 -1.4950 -1.3107 -1.3094 -1.2520 -1.2509 -0.9258 -0.9253 -0.8782 -0.8643 -0.8037 -0.7922 0.1119 0.1134 0.3644 0.3652 0.5139 0.5156 0.5297 0.5311 0.6087 0.6099 0.6492 0.6528 8.7975 8.7979 8.8603 8.8605 9.9636 9.9674 10.5182 10.5196 10.8476 10.8514 10.8800 10.8823 k = 0.0937 0.5000-0.0000 ( 6538 PWs) bands (ev): -19.3382 -19.3381 -19.3208 -19.3207 -17.0626 -17.0611 -16.9947 -16.9936 -16.8063 -16.8057 -16.7211 -16.7199 -16.6554 -16.6547 -16.6363 -16.6362 -7.4305 -7.4301 -7.3782 -7.3779 -5.5006 -5.4972 -5.2515 -5.2505 -4.5962 -4.5946 -4.5496 -4.5485 -4.4873 -4.4862 -4.3670 -4.3658 -2.1530 -2.1524 -1.9008 -1.8991 -1.7482 -1.7460 -1.7018 -1.6986 -1.4976 -1.4957 -1.3160 -1.3147 -1.2627 -1.2618 -0.9167 -0.9161 -0.8640 -0.8498 -0.7985 -0.7867 0.1055 0.1069 0.3644 0.3651 0.5130 0.5144 0.5305 0.5317 0.6162 0.6171 0.6542 0.6574 8.7763 8.7765 8.8431 8.8433 9.9625 9.9658 10.5296 10.5307 10.8478 10.8516 10.8785 10.8794 k = 0.0781 0.5000-0.0000 ( 6544 PWs) bands (ev): -19.3400 -19.3399 -19.3224 -19.3223 -17.0616 -17.0603 -16.9926 -16.9917 -16.8058 -16.8053 -16.7202 -16.7192 -16.6532 -16.6525 -16.6355 -16.6354 -7.4414 -7.4410 -7.3894 -7.3892 -5.4873 -5.4844 -5.2352 -5.2343 -4.6019 -4.6005 -4.5607 -4.5598 -4.4943 -4.4934 -4.3716 -4.3706 -2.1545 -2.1540 -1.9004 -1.8990 -1.7368 -1.7350 -1.6906 -1.6879 -1.4985 -1.4968 -1.3215 -1.3202 -1.2723 -1.2716 -0.9093 -0.9086 -0.8506 -0.8367 -0.7938 -0.7821 0.0998 0.1009 0.3642 0.3648 0.5122 0.5132 0.5311 0.5322 0.6229 0.6236 0.6589 0.6616 8.7579 8.7581 8.8286 8.8288 9.9618 9.9646 10.5400 10.5409 10.8458 10.8504 10.8782 10.8823 k = 0.0625 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.3414 -19.3414 -19.3238 -19.3237 -17.0607 -17.0597 -16.9908 -16.9901 -16.8054 -16.8050 -16.7194 -16.7186 -16.6513 -16.6508 -16.6349 -16.6348 -7.4503 -7.4500 -7.3987 -7.3985 -5.4761 -5.4737 -5.2213 -5.2206 -4.6067 -4.6055 -4.5703 -4.5694 -4.5002 -4.4995 -4.3754 -4.3746 -2.1558 -2.1553 -1.9002 -1.8990 -1.7267 -1.7253 -1.6806 -1.6784 -1.4997 -1.4982 -1.3267 -1.3256 -1.2805 -1.2800 -0.9034 -0.9028 -0.8384 -0.8254 -0.7898 -0.7786 0.0949 0.0958 0.3639 0.3644 0.5113 0.5122 0.5316 0.5325 0.6287 0.6293 0.6631 0.6653 8.7426 8.7427 8.8167 8.8168 9.9613 9.9636 10.5492 10.5499 10.8421 10.8471 10.8825 10.8883 k = 0.0468 0.5000-0.0000 ( 6544 PWs) bands (ev): -19.3426 -19.3426 -19.3248 -19.3248 -17.0600 -17.0592 -16.9894 -16.9889 -16.8050 -16.8047 -16.7188 -16.7182 -16.6498 -16.6493 -16.6343 -16.6343 -7.4573 -7.4571 -7.4060 -7.4058 -5.4672 -5.4653 -5.2102 -5.2096 -4.6105 -4.6096 -4.5779 -4.5773 -4.5048 -4.5042 -4.3784 -4.3778 -2.1567 -2.1564 -1.9000 -1.8992 -1.7184 -1.7173 -1.6720 -1.6704 -1.5009 -1.4997 -1.3312 -1.3303 -1.2872 -1.2868 -0.8989 -0.8984 -0.8279 -0.8165 -0.7864 -0.7764 0.0909 0.0917 0.3636 0.3640 0.5107 0.5113 0.5320 0.5327 0.6334 0.6338 0.6666 0.6682 8.7305 8.7306 8.8074 8.8075 9.9611 9.9629 10.5568 10.5574 10.8382 10.8425 10.8903 10.8968 k = 0.0312 0.5000-0.0000 ( 6542 PWs) bands (ev): -19.3434 -19.3434 -19.3256 -19.3256 -17.0595 -17.0589 -16.9884 -16.9880 -16.8048 -16.8046 -16.7184 -16.7180 -16.6486 -16.6483 -16.6340 -16.6339 -7.4624 -7.4622 -7.4112 -7.4111 -5.4606 -5.4593 -5.2020 -5.2016 -4.6132 -4.6126 -4.5836 -4.5831 -4.5080 -4.5077 -4.3805 -4.3801 -2.1574 -2.1572 -1.8999 -1.8994 -1.7121 -1.7114 -1.6654 -1.6643 -1.5020 -1.5012 -1.3347 -1.3341 -1.2920 -1.2918 -0.8957 -0.8954 -0.8193 -0.8107 -0.7833 -0.7756 0.0881 0.0886 0.3633 0.3636 0.5102 0.5106 0.5324 0.5328 0.6368 0.6371 0.6693 0.6704 8.7218 8.7219 8.8007 8.8008 9.9611 9.9623 10.5626 10.5630 10.8351 10.8381 10.9005 10.9070 k = 0.0156 0.5000-0.0000 ( 6554 PWs) bands (ev): -19.3439 -19.3439 -19.3261 -19.3260 -17.0591 -17.0588 -16.9878 -16.9876 -16.8046 -16.8045 -16.7181 -16.7179 -16.6479 -16.6478 -16.6337 -16.6337 -7.4654 -7.4653 -7.4143 -7.4143 -5.4565 -5.4559 -5.1970 -5.1968 -4.6148 -4.6146 -4.5869 -4.5867 -4.5100 -4.5098 -4.3817 -4.3815 -2.1578 -2.1577 -1.8998 -1.8995 -1.7081 -1.7078 -1.6611 -1.6605 -1.5028 -1.5023 -1.3369 -1.3365 -1.2950 -1.2949 -0.8938 -0.8936 -0.8130 -0.8082 -0.7803 -0.7761 0.0863 0.0866 0.3632 0.3633 0.5099 0.5101 0.5326 0.5328 0.6389 0.6391 0.6710 0.6716 8.7165 8.7166 8.7968 8.7968 9.9612 9.9618 10.5663 10.5665 10.8332 10.8348 10.9123 10.9183 k = 0.0000 0.5000-0.0000 ( 6556 PWs) bands (ev): -19.3441 -19.3441 -19.3262 -19.3262 -17.0589 -17.0589 -16.9875 -16.9875 -16.8045 -16.8045 -16.7179 -16.7179 -16.6476 -16.6476 -16.6336 -16.6336 -7.4663 -7.4663 -7.4153 -7.4153 -5.4549 -5.4549 -5.1952 -5.1952 -4.6153 -4.6153 -4.5880 -4.5880 -4.5106 -4.5106 -4.3821 -4.3821 -2.1579 -2.1579 -1.8997 -1.8997 -1.7067 -1.7067 -1.6594 -1.6594 -1.5029 -1.5029 -1.3375 -1.3375 -1.2960 -1.2960 -0.8931 -0.8931 -0.8091 -0.8091 -0.7778 -0.7778 0.0859 0.0859 0.3632 0.3632 0.5099 0.5099 0.5327 0.5327 0.6397 0.6397 0.6718 0.6718 8.7148 8.7148 8.7954 8.7954 9.9615 9.9615 10.5676 10.5676 10.8331 10.8331 10.9236 10.9238 k = 0.0000 0.5000-0.0000 ( 6556 PWs) bands (ev): -19.3441 -19.3441 -19.3262 -19.3262 -17.0589 -17.0589 -16.9875 -16.9875 -16.8045 -16.8045 -16.7179 -16.7179 -16.6476 -16.6476 -16.6336 -16.6336 -7.4663 -7.4663 -7.4153 -7.4153 -5.4549 -5.4549 -5.1952 -5.1952 -4.6153 -4.6153 -4.5880 -4.5880 -4.5106 -4.5106 -4.3821 -4.3821 -2.1579 -2.1579 -1.8997 -1.8997 -1.7067 -1.7067 -1.6594 -1.6594 -1.5029 -1.5029 -1.3375 -1.3375 -1.2960 -1.2960 -0.8931 -0.8931 -0.8091 -0.8091 -0.7778 -0.7778 0.0859 0.0859 0.3632 0.3632 0.5099 0.5099 0.5327 0.5327 0.6397 0.6397 0.6718 0.6718 8.7148 8.7148 8.7954 8.7954 9.9615 9.9615 10.5676 10.5676 10.8331 10.8331 10.9235 10.9237 k = 0.0000 0.5000 0.0155 ( 6554 PWs) bands (ev): -19.3441 -19.3441 -19.3262 -19.3262 -17.0589 -17.0588 -16.9877 -16.9877 -16.8043 -16.8042 -16.7180 -16.7178 -16.6477 -16.6475 -16.6338 -16.6335 -7.4664 -7.4664 -7.4155 -7.4155 -5.4543 -5.4542 -5.1950 -5.1950 -4.6153 -4.6151 -4.5881 -4.5879 -4.5109 -4.5107 -4.3825 -4.3824 -2.1582 -2.1581 -1.9019 -1.9015 -1.7063 -1.7060 -1.6591 -1.6590 -1.5013 -1.5010 -1.3372 -1.3369 -1.2961 -1.2959 -0.8936 -0.8932 -0.8099 -0.8094 -0.7782 -0.7782 0.0864 0.0865 0.3626 0.3628 0.5074 0.5079 0.5285 0.5288 0.6436 0.6441 0.6741 0.6746 8.7161 8.7162 8.7964 8.7964 9.9597 9.9606 10.5652 10.5657 10.8297 10.8316 10.9248 10.9252 k = 0.0000 0.5000 0.0311 ( 6552 PWs) bands (ev): -19.3440 -19.3440 -19.3263 -19.3263 -17.0589 -17.0588 -16.9884 -16.9883 -16.8036 -16.8035 -16.7182 -16.7178 -16.6477 -16.6474 -16.6339 -16.6335 -7.4665 -7.4665 -7.4160 -7.4160 -5.4524 -5.4521 -5.1944 -5.1944 -4.6153 -4.6148 -4.5882 -4.5879 -4.5117 -4.5111 -4.3836 -4.3835 -2.1591 -2.1589 -1.9079 -1.9072 -1.7047 -1.7043 -1.6582 -1.6579 -1.4966 -1.4960 -1.3359 -1.3355 -1.2964 -1.2959 -0.8947 -0.8939 -0.8116 -0.8106 -0.7794 -0.7793 0.0883 0.0884 0.3611 0.3614 0.5007 0.5017 0.5178 0.5182 0.6542 0.6550 0.6812 0.6821 8.7200 8.7202 8.7993 8.7994 9.9555 9.9572 10.5585 10.5595 10.8222 10.8255 10.9118 10.9130 k = 0.0000 0.5000 0.0466 ( 6550 PWs) bands (ev): -19.3439 -19.3439 -19.3264 -19.3264 -17.0588 -17.0587 -16.9895 -16.9893 -16.8025 -16.8023 -16.7185 -16.7179 -16.6477 -16.6473 -16.6341 -16.6334 -7.4667 -7.4667 -7.4168 -7.4168 -5.4491 -5.4488 -5.1935 -5.1934 -4.6151 -4.6144 -4.5883 -4.5879 -4.5129 -4.5121 -4.3854 -4.3852 -2.1606 -2.1602 -1.9172 -1.9163 -1.7021 -1.7016 -1.6566 -1.6562 -1.4889 -1.4881 -1.3338 -1.3331 -1.2968 -1.2960 -0.8963 -0.8951 -0.8143 -0.8129 -0.7815 -0.7813 0.0913 0.0916 0.3586 0.3591 0.4911 0.4924 0.5034 0.5036 0.6689 0.6699 0.6919 0.6931 8.7265 8.7268 8.8041 8.8042 9.9487 9.9512 10.5474 10.5488 10.8116 10.8158 10.8870 10.8888 k = 0.0000 0.5000 0.0621 ( 6550 PWs) bands (ev): -19.3437 -19.3437 -19.3265 -19.3265 -17.0588 -17.0586 -16.9910 -16.9908 -16.8009 -16.8006 -16.7188 -16.7180 -16.6477 -16.6471 -16.6343 -16.6334 -7.4669 -7.4669 -7.4180 -7.4179 -5.4446 -5.4442 -5.1921 -5.1920 -4.6148 -4.6139 -4.5884 -4.5878 -4.5145 -4.5134 -4.3879 -4.3877 -2.1625 -2.1621 -1.9294 -1.9282 -1.6986 -1.6980 -1.6544 -1.6539 -1.4791 -1.4780 -1.3305 -1.3297 -1.2972 -1.2963 -0.8986 -0.8969 -0.8179 -0.8160 -0.7843 -0.7841 0.0955 0.0958 0.3550 0.3558 0.4793 0.4812 0.4872 0.4876 0.6856 0.6868 0.7051 0.7066 8.7357 8.7360 8.8109 8.8110 9.9396 9.9428 10.5317 10.5336 10.7987 10.8035 10.8571 10.8593 k = 0.0000 0.5000 0.0777 ( 6544 PWs) bands (ev): -19.3435 -19.3435 -19.3267 -19.3266 -17.0587 -17.0585 -16.9929 -16.9926 -16.7989 -16.7986 -16.7191 -16.7182 -16.6476 -16.6470 -16.6346 -16.6335 -7.4672 -7.4672 -7.4194 -7.4194 -5.4389 -5.4383 -5.1906 -5.1904 -4.6143 -4.6132 -4.5885 -4.5878 -4.5165 -4.5150 -4.3911 -4.3909 -2.1649 -2.1644 -1.9438 -1.9424 -1.6943 -1.6936 -1.6515 -1.6509 -1.4678 -1.4665 -1.3260 -1.3250 -1.2978 -1.2966 -0.9014 -0.8993 -0.8224 -0.8200 -0.7879 -0.7877 0.1007 0.1012 0.3503 0.3514 0.4652 0.4678 0.4713 0.4725 0.7033 0.7046 0.7200 0.7215 8.7474 8.7478 8.8195 8.8196 9.9283 9.9321 10.5111 10.5135 10.7842 10.7893 10.8246 10.8272 k = 0.0000 0.5000 0.0932 ( 6540 PWs) bands (ev): -19.3432 -19.3432 -19.3268 -19.3268 -17.0585 -17.0583 -16.9950 -16.9947 -16.7966 -16.7962 -16.7196 -16.7185 -16.6476 -16.6467 -16.6349 -16.6335 -7.4675 -7.4675 -7.4211 -7.4211 -5.4320 -5.4313 -5.1888 -5.1886 -4.6137 -4.6124 -4.5887 -4.5878 -4.5188 -4.5171 -4.3949 -4.3947 -2.1677 -2.1671 -1.9598 -1.9583 -1.6892 -1.6884 -1.6481 -1.6473 -1.4556 -1.4542 -1.3200 -1.3191 -1.2984 -1.2972 -0.9048 -0.9021 -0.8278 -0.8247 -0.7921 -0.7919 0.1069 0.1076 0.3444 0.3460 0.4490 0.4509 0.4584 0.4594 0.7213 0.7226 0.7356 0.7373 8.7616 8.7621 8.8299 8.8300 9.9149 9.9192 10.4855 10.4883 10.7684 10.7736 10.7917 10.7944 k = 0.0000 0.5000 0.1087 ( 6538 PWs) bands (ev): -19.3429 -19.3429 -19.3271 -19.3270 -17.0583 -17.0581 -16.9975 -16.9971 -16.7940 -16.7935 -16.7201 -16.7188 -16.6475 -16.6465 -16.6352 -16.6336 -7.4679 -7.4679 -7.4230 -7.4230 -5.4239 -5.4232 -5.1869 -5.1866 -4.6128 -4.6114 -4.5888 -4.5878 -4.5214 -4.5194 -4.3995 -4.3992 -2.1709 -2.1702 -1.9769 -1.9753 -1.6834 -1.6826 -1.6441 -1.6432 -1.4434 -1.4419 -1.3124 -1.3116 -1.2991 -1.2979 -0.9088 -0.9055 -0.8339 -0.8302 -0.7971 -0.7969 0.1140 0.1149 0.3373 0.3394 0.4320 0.4334 0.4467 0.4477 0.7393 0.7406 0.7517 0.7534 8.7782 8.7788 8.8421 8.8423 9.8996 9.9043 10.4545 10.4577 10.7514 10.7567 10.7598 10.7625 k = 0.0000 0.5000 0.1243 ( 6542 PWs) bands (ev): -19.3426 -19.3426 -19.3273 -19.3273 -17.0581 -17.0578 -17.0002 -16.9997 -16.7911 -16.7905 -16.7207 -16.7193 -16.6474 -16.6463 -16.6355 -16.6338 -7.4682 -7.4682 -7.4252 -7.4251 -5.4149 -5.4140 -5.1850 -5.1847 -4.6118 -4.6102 -4.5889 -4.5878 -4.5243 -4.5220 -4.4046 -4.4043 -2.1743 -2.1735 -1.9946 -1.9930 -1.6770 -1.6763 -1.6396 -1.6386 -1.4317 -1.4302 -1.3039 -1.3029 -1.2988 -1.2984 -0.9133 -0.9093 -0.8407 -0.8363 -0.8027 -0.8024 0.1219 0.1229 0.3292 0.3317 0.4151 0.4162 0.4359 0.4370 0.7569 0.7582 0.7678 0.7695 8.7971 8.7979 8.8560 8.8562 9.8826 9.8875 10.4183 10.4216 10.7288 10.7325 10.7350 10.7393 k = 0.0000 0.5000 0.1398 ( 6546 PWs) bands (ev): -19.3422 -19.3422 -19.3276 -19.3276 -17.0578 -17.0575 -17.0030 -17.0025 -16.7881 -16.7873 -16.7214 -16.7198 -16.6472 -16.6460 -16.6359 -16.6340 -7.4686 -7.4686 -7.4275 -7.4275 -5.4049 -5.4039 -5.1832 -5.1828 -4.6105 -4.6088 -4.5889 -4.5877 -4.5273 -4.5248 -4.4104 -4.4100 -2.1779 -2.1771 -2.0127 -2.0111 -1.6700 -1.6694 -1.6347 -1.6336 -1.4209 -1.4196 -1.3028 -1.3000 -1.2913 -1.2896 -0.9183 -0.9136 -0.8480 -0.8428 -0.8088 -0.8086 0.1303 0.1316 0.3202 0.3232 0.3989 0.3996 0.4258 0.4274 0.7739 0.7753 0.7836 0.7853 8.8183 8.8192 8.8715 8.8717 9.8641 9.8692 10.3771 10.3805 10.7019 10.7051 10.7170 10.7212 k = 0.0000 0.5000 0.1554 ( 6544 PWs) bands (ev): -19.3418 -19.3418 -19.3279 -19.3279 -17.0575 -17.0571 -17.0060 -17.0055 -16.7848 -16.7840 -16.7222 -16.7205 -16.6471 -16.6457 -16.6363 -16.6342 -7.4689 -7.4689 -7.4300 -7.4300 -5.3940 -5.3930 -5.1816 -5.1812 -4.6089 -4.6071 -4.5889 -4.5876 -4.5305 -4.5277 -4.4168 -4.4163 -2.1817 -2.1807 -2.0307 -2.0291 -1.6626 -1.6620 -1.6294 -1.6282 -1.4114 -1.4102 -1.3040 -1.3015 -1.2779 -1.2767 -0.9239 -0.9184 -0.8556 -0.8498 -0.8155 -0.8153 0.1392 0.1408 0.3106 0.3141 0.3834 0.3838 0.4166 0.4185 0.7904 0.7917 0.7989 0.8006 8.8415 8.8425 8.8886 8.8887 9.8444 9.8494 10.3314 10.3348 10.6776 10.6805 10.6992 10.7031 k = 0.0000 0.5000 0.1709 ( 6530 PWs) bands (ev): -19.3414 -19.3413 -19.3283 -19.3282 -17.0570 -17.0566 -17.0090 -17.0085 -16.7814 -16.7805 -16.7230 -16.7212 -16.6469 -16.6453 -16.6367 -16.6344 -7.4692 -7.4692 -7.4327 -7.4326 -5.3824 -5.3813 -5.1804 -5.1799 -4.6070 -4.6052 -4.5888 -4.5875 -4.5337 -4.5307 -4.4236 -4.4231 -2.1854 -2.1843 -2.0485 -2.0468 -1.6548 -1.6543 -1.6238 -1.6225 -1.4031 -1.4022 -1.3058 -1.3032 -1.2629 -1.2621 -0.9300 -0.9237 -0.8636 -0.8569 -0.8226 -0.8224 0.1484 0.1504 0.3006 0.3046 0.3689 0.3689 0.4081 0.4104 0.8060 0.8074 0.8136 0.8153 8.8666 8.8677 8.9070 8.9071 9.8237 9.8286 10.2822 10.2854 10.6562 10.6587 10.6817 10.6851 k = 0.0000 0.5000 0.1864 ( 6532 PWs) bands (ev): -19.3409 -19.3408 -19.3287 -19.3286 -17.0565 -17.0561 -17.0122 -17.0116 -16.7780 -16.7769 -16.7240 -16.7221 -16.6466 -16.6450 -16.6371 -16.6347 -7.4694 -7.4694 -7.4354 -7.4353 -5.3702 -5.3690 -5.1796 -5.1790 -4.6049 -4.6030 -4.5887 -4.5873 -4.5369 -4.5337 -4.4310 -4.4305 -2.1890 -2.1879 -2.0658 -2.0641 -1.6468 -1.6463 -1.6181 -1.6167 -1.3960 -1.3953 -1.3079 -1.3053 -1.2465 -1.2461 -0.9367 -0.9296 -0.8715 -0.8641 -0.8300 -0.8299 0.1578 0.1602 0.2906 0.2949 0.3550 0.3555 0.4001 0.4027 0.8207 0.8221 0.8275 0.8291 8.8933 8.8946 8.9267 8.9267 9.8022 9.8069 10.2302 10.2332 10.6374 10.6395 10.6647 10.6677 k = 0.0000 0.5000 0.2020 ( 6540 PWs) bands (ev): -19.3404 -19.3403 -19.3291 -19.3290 -17.0559 -17.0554 -17.0153 -17.0147 -16.7745 -16.7733 -16.7251 -16.7230 -16.6464 -16.6446 -16.6376 -16.6350 -7.4695 -7.4695 -7.4382 -7.4381 -5.3574 -5.3561 -5.1795 -5.1788 -4.6024 -4.6006 -4.5884 -4.5870 -4.5400 -4.5366 -4.4388 -4.4382 -2.1924 -2.1912 -2.0824 -2.0807 -1.6385 -1.6382 -1.6123 -1.6108 -1.3898 -1.3893 -1.3103 -1.3077 -1.2291 -1.2291 -0.9439 -0.9362 -0.8792 -0.8711 -0.8376 -0.8376 0.1670 0.1701 0.2807 0.2854 0.3424 0.3435 0.3924 0.3954 0.8344 0.8358 0.8404 0.8421 8.9214 8.9228 8.9474 8.9475 9.7805 9.7848 10.1763 10.1791 10.6210 10.6227 10.6485 10.6509 k = 0.0000 0.5000 0.2175 ( 6534 PWs) bands (ev): -19.3398 -19.3398 -19.3295 -19.3295 -17.0551 -17.0547 -17.0184 -17.0178 -16.7710 -16.7697 -16.7263 -16.7241 -16.6461 -16.6442 -16.6380 -16.6354 -7.4695 -7.4695 -7.4409 -7.4409 -5.3443 -5.3429 -5.1801 -5.1793 -4.5996 -4.5980 -4.5879 -4.5867 -4.5428 -4.5393 -4.4470 -4.4464 -2.1955 -2.1942 -2.0983 -2.0966 -1.6303 -1.6300 -1.6065 -1.6049 -1.3843 -1.3841 -1.3130 -1.3104 -1.2115 -1.2110 -0.9519 -0.9435 -0.8864 -0.8778 -0.8455 -0.8453 0.1761 0.1797 0.2712 0.2764 0.3312 0.3330 0.3850 0.3884 0.8471 0.8485 0.8524 0.8541 8.9505 8.9520 8.9690 8.9691 9.7588 9.7628 10.1214 10.1240 10.6068 10.6081 10.6332 10.6351 k = 0.0000 0.5000 0.2330 ( 6522 PWs) bands (ev): -19.3393 -19.3392 -19.3300 -19.3299 -17.0543 -17.0538 -17.0215 -17.0209 -16.7675 -16.7661 -16.7276 -16.7254 -16.6458 -16.6437 -16.6385 -16.6358 -7.4694 -7.4694 -7.4437 -7.4437 -5.3309 -5.3294 -5.1815 -5.1807 -4.5965 -4.5954 -4.5872 -4.5862 -4.5452 -4.5417 -4.4555 -4.4548 -2.1981 -2.1968 -2.1132 -2.1115 -1.6221 -1.6220 -1.6009 -1.5993 -1.3795 -1.3793 -1.3161 -1.3135 -1.1935 -1.1927 -0.9605 -0.9517 -0.8929 -0.8840 -0.8534 -0.8530 0.1846 0.1891 0.2624 0.2679 0.3216 0.3241 0.3777 0.3814 0.8587 0.8601 0.8633 0.8649 8.9800 8.9816 8.9911 8.9914 9.7378 9.7414 10.0662 10.0686 10.5946 10.5955 10.6191 10.6205 k = 0.0000 0.5000 0.2486 ( 6532 PWs) bands (ev): -19.3387 -19.3386 -19.3305 -19.3304 -17.0533 -17.0528 -17.0246 -17.0239 -16.7641 -16.7626 -16.7290 -16.7268 -16.6455 -16.6433 -16.6390 -16.6362 -7.4691 -7.4691 -7.4464 -7.4464 -5.3173 -5.3159 -5.1839 -5.1830 -4.5934 -4.5930 -4.5862 -4.5856 -4.5470 -4.5436 -4.4643 -4.4635 -2.2002 -2.1989 -2.1271 -2.1254 -1.6142 -1.6142 -1.5957 -1.5940 -1.3751 -1.3750 -1.3194 -1.3170 -1.1754 -1.1741 -0.9698 -0.9610 -0.8983 -0.8895 -0.8613 -0.8606 0.1924 0.1978 0.2542 0.2600 0.3138 0.3172 0.3704 0.3744 0.8690 0.8705 0.8731 0.8747 9.0093 9.0111 9.0135 9.0139 9.7182 9.7213 10.0115 10.0136 10.5842 10.5848 10.6062 10.6071 k = 0.0000 0.5000 0.2641 ( 6542 PWs) bands (ev): -19.3381 -19.3381 -19.3310 -19.3309 -17.0522 -17.0517 -17.0275 -17.0269 -16.7608 -16.7591 -16.7306 -16.7283 -16.6451 -16.6428 -16.6395 -16.6366 -7.4687 -7.4687 -7.4491 -7.4490 -5.3038 -5.3023 -5.1873 -5.1863 -4.5910 -4.5904 -4.5848 -4.5848 -4.5479 -4.5447 -4.4732 -4.4724 -2.2016 -2.2003 -2.1398 -2.1382 -1.6068 -1.6067 -1.5909 -1.5892 -1.3709 -1.3709 -1.3230 -1.3207 -1.1574 -1.1557 -0.9800 -0.9714 -0.9027 -0.8942 -0.8689 -0.8680 0.1992 0.2055 0.2468 0.2530 0.3080 0.3124 0.3631 0.3674 0.8782 0.8796 0.8816 0.8832 9.0354 9.0362 9.0380 9.0398 9.7008 9.7034 9.9579 9.9598 10.5756 10.5758 10.5947 10.5952 k = 0.0000 0.5000 0.2796 ( 6536 PWs) bands (ev): -19.3375 -19.3375 -19.3315 -19.3315 -17.0510 -17.0504 -17.0304 -17.0297 -16.7575 -16.7558 -16.7323 -16.7300 -16.6448 -16.6423 -16.6400 -16.6371 -7.4681 -7.4681 -7.4516 -7.4516 -5.2904 -5.2889 -5.1918 -5.1906 -4.5895 -4.5878 -4.5838 -4.5834 -4.5476 -4.5449 -4.4822 -4.4814 -2.2023 -2.2009 -2.1515 -2.1498 -1.6001 -1.5998 -1.5867 -1.5851 -1.3670 -1.3669 -1.3268 -1.3247 -1.1396 -1.1375 -0.9909 -0.9828 -0.9057 -0.8978 -0.8762 -0.8749 0.2049 0.2122 0.2404 0.2469 0.3045 0.3098 0.3557 0.3603 0.8860 0.8874 0.8888 0.8904 9.0571 9.0579 9.0644 9.0664 9.6867 9.6889 9.9063 9.9079 10.5685 10.5686 10.5847 10.5847 k = 0.0000 0.5000 0.2952 ( 6542 PWs) bands (ev): -19.3369 -19.3368 -19.3321 -19.3320 -17.0496 -17.0490 -17.0331 -17.0324 -16.7544 -16.7525 -16.7341 -16.7318 -16.6444 -16.6418 -16.6405 -16.6376 -7.4673 -7.4673 -7.4541 -7.4540 -5.2773 -5.2758 -5.1974 -5.1961 -4.5882 -4.5859 -4.5825 -4.5823 -4.5457 -4.5437 -4.4912 -4.4904 -2.2021 -2.2007 -2.1619 -2.1603 -1.5940 -1.5936 -1.5833 -1.5817 -1.3631 -1.3630 -1.3307 -1.3288 -1.1222 -1.1195 -1.0027 -0.9951 -0.9076 -0.9004 -0.8830 -0.8813 0.2094 0.2174 0.2348 0.2417 0.3035 0.3095 0.3482 0.3532 0.8925 0.8940 0.8948 0.8963 9.0773 9.0784 9.0877 9.0898 9.6772 9.6789 9.8573 9.8587 10.5629 10.5633 10.5759 10.5761 k = 0.0000 0.5000 0.3107 ( 6548 PWs) bands (ev): -19.3363 -19.3362 -19.3327 -19.3326 -17.0481 -17.0475 -17.0357 -17.0350 -16.7513 -16.7494 -16.7361 -16.7338 -16.6439 -16.6413 -16.6410 -16.6381 -7.4663 -7.4663 -7.4564 -7.4563 -5.2646 -5.2631 -5.2040 -5.2027 -4.5871 -4.5845 -4.5819 -4.5815 -4.5422 -4.5410 -4.5000 -4.4992 -2.2010 -2.1995 -2.1711 -2.1695 -1.5889 -1.5883 -1.5808 -1.5793 -1.3592 -1.3590 -1.3348 -1.3332 -1.1051 -1.1020 -1.0152 -1.0083 -0.9082 -0.9018 -0.8892 -0.8870 0.2129 0.2213 0.2300 0.2373 0.3048 0.3113 0.3407 0.3461 0.8977 0.8991 0.8994 0.9009 9.0954 9.0967 9.1066 9.1088 9.6736 9.6750 9.8121 9.8133 10.5589 10.5595 10.5686 10.5691 k = 0.0000 0.5000 0.3262 ( 6546 PWs) bands (ev): -19.3357 -19.3356 -19.3332 -19.3332 -17.0464 -17.0458 -17.0381 -17.0375 -16.7484 -16.7464 -16.7383 -16.7360 -16.6435 -16.6416 -16.6408 -16.6386 -7.4651 -7.4651 -7.4585 -7.4585 -5.2525 -5.2510 -5.2118 -5.2104 -4.5860 -4.5834 -4.5822 -4.5811 -4.5373 -4.5367 -4.5086 -4.5079 -2.1989 -2.1974 -2.1791 -2.1775 -1.5847 -1.5839 -1.5793 -1.5779 -1.3553 -1.3549 -1.3390 -1.3376 -1.0886 -1.0849 -1.0285 -1.0223 -0.9076 -0.9020 -0.8947 -0.8920 0.2156 0.2242 0.2261 0.2338 0.3082 0.3148 0.3333 0.3390 0.9015 0.9026 0.9029 0.9041 9.1105 9.1121 9.1199 9.1222 9.6773 9.6784 9.7715 9.7725 10.5565 10.5572 10.5630 10.5637 k = 0.0000 0.5000 0.3418 ( 6548 PWs) bands (ev): -19.3351 -19.3350 -19.3338 -19.3338 -17.0446 -17.0439 -17.0404 -17.0398 -16.7457 -16.7436 -16.7406 -16.7384 -16.6430 -16.6421 -16.6403 -16.6392 -7.4638 -7.4638 -7.4604 -7.4604 -5.2410 -5.2395 -5.2206 -5.2192 -4.5849 -4.5829 -4.5825 -4.5812 -4.5311 -4.5311 -4.5167 -4.5162 -2.1957 -2.1942 -2.1858 -2.1842 -1.5816 -1.5807 -1.5789 -1.5777 -1.3513 -1.3507 -1.3432 -1.3420 -1.0726 -1.0684 -1.0426 -1.0370 -0.9059 -0.9012 -0.8994 -0.8961 0.2179 0.2229 0.2265 0.2309 0.3131 0.3197 0.3261 0.3321 0.9039 0.9044 0.9053 0.9059 9.1215 9.1233 9.1269 9.1290 9.6890 9.6899 9.7367 9.7377 10.5557 10.5565 10.5589 10.5597 k = 0.0000 0.5000 0.3573 ( 6552 PWs) bands (ev): -19.3344 -19.3344 -19.3344 -19.3344 -17.0426 -17.0426 -17.0419 -17.0419 -16.7431 -16.7431 -16.7409 -16.7409 -16.6425 -16.6425 -16.6397 -16.6397 -7.4622 -7.4622 -7.4622 -7.4622 -5.2304 -5.2304 -5.2289 -5.2289 -4.5838 -4.5838 -4.5817 -4.5817 -4.5243 -4.5243 -4.5240 -4.5240 -2.1914 -2.1914 -2.1898 -2.1898 -1.5797 -1.5797 -1.5786 -1.5786 -1.3473 -1.3473 -1.3464 -1.3464 -1.0573 -1.0573 -1.0524 -1.0524 -0.9032 -0.9032 -0.8991 -0.8991 0.2203 0.2203 0.2286 0.2286 0.3193 0.3193 0.3256 0.3256 0.9048 0.9048 0.9063 0.9063 9.1273 9.1273 9.1293 9.1293 9.7089 9.7089 9.7098 9.7098 10.5565 10.5565 10.5574 10.5574 k = 0.0000 0.5000 0.3573 ( 6552 PWs) bands (ev): -19.3344 -19.3344 -19.3344 -19.3344 -17.0426 -17.0426 -17.0419 -17.0419 -16.7431 -16.7431 -16.7409 -16.7409 -16.6425 -16.6425 -16.6397 -16.6397 -7.4622 -7.4622 -7.4622 -7.4622 -5.2304 -5.2304 -5.2289 -5.2289 -4.5838 -4.5838 -4.5817 -4.5817 -4.5243 -4.5243 -4.5240 -4.5240 -2.1914 -2.1914 -2.1898 -2.1898 -1.5797 -1.5797 -1.5786 -1.5786 -1.3473 -1.3473 -1.3464 -1.3464 -1.0573 -1.0573 -1.0524 -1.0524 -0.9032 -0.9032 -0.8991 -0.8991 0.2203 0.2203 0.2286 0.2286 0.3193 0.3193 0.3256 0.3256 0.9048 0.9048 0.9063 0.9063 9.1273 9.1273 9.1293 9.1293 9.7089 9.7089 9.7098 9.7098 10.5565 10.5565 10.5574 10.5574 k = 0.0156 0.5000 0.3573 ( 6538 PWs) bands (ev): -19.3343 -19.3343 -19.3342 -19.3342 -17.0427 -17.0427 -17.0420 -17.0420 -16.7432 -16.7432 -16.7410 -16.7410 -16.6427 -16.6427 -16.6398 -16.6398 -7.4611 -7.4611 -7.4611 -7.4611 -5.2321 -5.2321 -5.2305 -5.2305 -4.5832 -4.5832 -4.5809 -4.5809 -4.5238 -4.5238 -4.5229 -4.5229 -2.1912 -2.1912 -2.1896 -2.1896 -1.5803 -1.5803 -1.5792 -1.5792 -1.3485 -1.3485 -1.3476 -1.3476 -1.0567 -1.0567 -1.0518 -1.0518 -0.9026 -0.9026 -0.8985 -0.8985 0.2197 0.2197 0.2280 0.2280 0.3192 0.3192 0.3256 0.3256 0.9044 0.9044 0.9059 0.9059 9.1290 9.1290 9.1310 9.1310 9.7098 9.7098 9.7107 9.7107 10.5575 10.5575 10.5583 10.5583 k = 0.0312 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.3338 -19.3338 -19.3337 -19.3337 -17.0430 -17.0430 -17.0422 -17.0422 -16.7436 -16.7436 -16.7413 -16.7413 -16.6431 -16.6431 -16.6402 -16.6402 -7.4580 -7.4580 -7.4579 -7.4579 -5.2370 -5.2370 -5.2352 -5.2352 -4.5814 -4.5814 -4.5787 -4.5787 -4.5219 -4.5219 -4.5202 -4.5202 -2.1906 -2.1906 -2.1890 -2.1890 -1.5822 -1.5822 -1.5810 -1.5810 -1.3522 -1.3522 -1.3510 -1.3510 -1.0551 -1.0551 -1.0500 -1.0500 -0.9011 -0.9011 -0.8967 -0.8967 0.2179 0.2179 0.2261 0.2261 0.3190 0.3190 0.3254 0.3254 0.9032 0.9032 0.9047 0.9047 9.1342 9.1342 9.1362 9.1362 9.7125 9.7125 9.7134 9.7134 10.5603 10.5603 10.5612 10.5612 k = 0.0468 0.5000 0.3573 ( 6532 PWs) bands (ev): -19.3330 -19.3330 -19.3329 -19.3329 -17.0436 -17.0436 -17.0425 -17.0425 -16.7442 -16.7442 -16.7419 -16.7419 -16.6438 -16.6438 -16.6408 -16.6408 -7.4527 -7.4527 -7.4526 -7.4526 -5.2452 -5.2452 -5.2431 -5.2431 -4.5784 -4.5784 -4.5752 -4.5752 -4.5184 -4.5184 -4.5159 -4.5159 -2.1896 -2.1896 -2.1880 -2.1880 -1.5854 -1.5854 -1.5840 -1.5840 -1.3581 -1.3581 -1.3565 -1.3565 -1.0527 -1.0527 -1.0472 -1.0472 -0.8985 -0.8985 -0.8938 -0.8938 0.2149 0.2149 0.2231 0.2231 0.3188 0.3188 0.3251 0.3251 0.9011 0.9011 0.9026 0.9026 9.1429 9.1429 9.1449 9.1449 9.7169 9.7169 9.7178 9.7178 10.5649 10.5649 10.5659 10.5659 k = 0.0625 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.3319 -19.3319 -19.3318 -19.3318 -17.0443 -17.0443 -17.0430 -17.0430 -16.7451 -16.7451 -16.7427 -16.7427 -16.6448 -16.6448 -16.6417 -16.6417 -7.4453 -7.4453 -7.4451 -7.4451 -5.2563 -5.2563 -5.2539 -5.2539 -4.5743 -4.5743 -4.5706 -4.5706 -4.5135 -4.5135 -4.5103 -4.5103 -2.1883 -2.1883 -2.1865 -2.1865 -1.5897 -1.5897 -1.5882 -1.5882 -1.3660 -1.3660 -1.3640 -1.3640 -1.0495 -1.0495 -1.0437 -1.0437 -0.8950 -0.8950 -0.8899 -0.8899 0.2107 0.2107 0.2189 0.2189 0.3185 0.3185 0.3248 0.3248 0.8981 0.8981 0.8997 0.8997 9.1550 9.1550 9.1570 9.1570 9.7230 9.7230 9.7240 9.7240 10.5714 10.5714 10.5723 10.5723 k = 0.0781 0.5000 0.3573 ( 6534 PWs) bands (ev): -19.3305 -19.3305 -19.3304 -19.3304 -17.0452 -17.0452 -17.0436 -17.0436 -16.7462 -16.7462 -16.7437 -16.7437 -16.6460 -16.6460 -16.6427 -16.6427 -7.4358 -7.4358 -7.4357 -7.4357 -5.2703 -5.2703 -5.2675 -5.2675 -4.5690 -4.5690 -4.5649 -4.5649 -4.5071 -4.5071 -4.5033 -4.5033 -2.1865 -2.1865 -2.1847 -2.1847 -1.5951 -1.5951 -1.5934 -1.5934 -1.3756 -1.3756 -1.3733 -1.3733 -1.0459 -1.0459 -1.0396 -1.0396 -0.8907 -0.8907 -0.8850 -0.8850 0.2056 0.2056 0.2136 0.2136 0.3183 0.3183 0.3245 0.3245 0.8944 0.8944 0.8959 0.8959 9.1704 9.1704 9.1725 9.1725 9.7309 9.7309 9.7319 9.7319 10.5795 10.5795 10.5805 10.5805 k = 0.0937 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.3288 -19.3288 -19.3286 -19.3286 -17.0462 -17.0462 -17.0444 -17.0444 -16.7476 -16.7476 -16.7450 -16.7450 -16.6474 -16.6474 -16.6439 -16.6439 -7.4244 -7.4244 -7.4242 -7.4242 -5.2868 -5.2868 -5.2837 -5.2837 -4.5628 -4.5628 -4.5584 -4.5584 -4.4994 -4.4994 -4.4951 -4.4951 -2.1844 -2.1844 -2.1825 -2.1825 -1.6015 -1.6015 -1.5996 -1.5996 -1.3867 -1.3867 -1.3840 -1.3840 -1.0421 -1.0421 -1.0353 -1.0353 -0.8857 -0.8857 -0.8795 -0.8795 0.1995 0.1995 0.2075 0.2075 0.3181 0.3181 0.3244 0.3244 0.8898 0.8898 0.8914 0.8914 9.1891 9.1891 9.1912 9.1912 9.7405 9.7405 9.7416 9.7416 10.5892 10.5892 10.5904 10.5904 k = 0.1093 0.5000 0.3573 ( 6522 PWs) bands (ev): -19.3268 -19.3268 -19.3267 -19.3267 -17.0475 -17.0475 -17.0454 -17.0454 -16.7492 -16.7492 -16.7465 -16.7465 -16.6490 -16.6490 -16.6453 -16.6453 -7.4110 -7.4110 -7.4108 -7.4108 -5.3056 -5.3056 -5.3022 -5.3022 -4.5556 -4.5556 -4.5511 -4.5511 -4.4906 -4.4906 -4.4859 -4.4859 -2.1820 -2.1820 -2.1800 -2.1800 -1.6088 -1.6088 -1.6067 -1.6067 -1.3990 -1.3990 -1.3959 -1.3959 -1.0384 -1.0384 -1.0310 -1.0310 -0.8801 -0.8801 -0.8734 -0.8734 0.1927 0.1927 0.2006 0.2006 0.3181 0.3181 0.3243 0.3243 0.8844 0.8844 0.8860 0.8860 9.2109 9.2109 9.2131 9.2131 9.7519 9.7519 9.7530 9.7530 10.6005 10.6005 10.6017 10.6017 k = 0.1249 0.5000 0.3573 ( 6522 PWs) bands (ev): -19.3246 -19.3246 -19.3244 -19.3244 -17.0489 -17.0489 -17.0466 -17.0466 -16.7510 -16.7510 -16.7482 -16.7482 -16.6507 -16.6507 -16.6469 -16.6469 -7.3958 -7.3958 -7.3955 -7.3955 -5.3265 -5.3265 -5.3228 -5.3228 -4.5476 -4.5476 -4.5430 -4.5430 -4.4808 -4.4808 -4.4757 -4.4757 -2.1792 -2.1792 -2.1770 -2.1770 -1.6169 -1.6169 -1.6147 -1.6147 -1.4123 -1.4123 -1.4088 -1.4088 -1.0350 -1.0350 -1.0269 -1.0269 -0.8742 -0.8742 -0.8669 -0.8669 0.1853 0.1853 0.1932 0.1932 0.3182 0.3182 0.3245 0.3245 0.8781 0.8781 0.8798 0.8798 9.2357 9.2357 9.2380 9.2380 9.7649 9.7649 9.7662 9.7662 10.6131 10.6131 10.6143 10.6143 k = 0.1405 0.5000 0.3573 ( 6532 PWs) bands (ev): -19.3221 -19.3221 -19.3219 -19.3219 -17.0505 -17.0505 -17.0479 -17.0479 -16.7531 -16.7531 -16.7501 -16.7501 -16.6525 -16.6525 -16.6485 -16.6485 -7.3788 -7.3788 -7.3784 -7.3784 -5.3492 -5.3492 -5.3453 -5.3453 -4.5390 -4.5390 -4.5344 -4.5344 -4.4701 -4.4701 -4.4648 -4.4648 -2.1760 -2.1760 -2.1738 -2.1738 -1.6258 -1.6258 -1.6233 -1.6233 -1.4262 -1.4262 -1.4223 -1.4223 -1.0321 -1.0321 -1.0234 -1.0234 -0.8681 -0.8681 -0.8603 -0.8603 0.1777 0.1777 0.1854 0.1854 0.3185 0.3185 0.3248 0.3248 0.8711 0.8711 0.8728 0.8728 9.2635 9.2635 9.2657 9.2657 9.7797 9.7797 9.7810 9.7810 10.6268 10.6268 10.6282 10.6282 k = 0.1562 0.5000 0.3573 ( 6520 PWs) bands (ev): -19.3194 -19.3194 -19.3192 -19.3192 -17.0522 -17.0522 -17.0494 -17.0494 -16.7553 -16.7553 -16.7523 -16.7523 -16.6544 -16.6544 -16.6502 -16.6502 -7.3600 -7.3600 -7.3596 -7.3596 -5.3736 -5.3736 -5.3695 -5.3695 -4.5297 -4.5297 -4.5252 -4.5252 -4.4588 -4.4588 -4.4533 -4.4533 -2.1725 -2.1725 -2.1701 -2.1701 -1.6353 -1.6353 -1.6326 -1.6326 -1.4405 -1.4405 -1.4363 -1.4363 -1.0298 -1.0298 -1.0207 -1.0207 -0.8619 -0.8619 -0.8537 -0.8537 0.1699 0.1699 0.1777 0.1777 0.3190 0.3190 0.3254 0.3254 0.8632 0.8632 0.8650 0.8650 9.2939 9.2939 9.2962 9.2962 9.7962 9.7962 9.7976 9.7976 10.6416 10.6416 10.6430 10.6430 k = 0.1718 0.5000 0.3573 ( 6514 PWs) bands (ev): -19.3166 -19.3166 -19.3163 -19.3163 -17.0541 -17.0541 -17.0511 -17.0511 -16.7577 -16.7577 -16.7546 -16.7546 -16.6563 -16.6563 -16.6519 -16.6519 -7.3397 -7.3397 -7.3393 -7.3393 -5.3993 -5.3993 -5.3951 -5.3951 -4.5199 -4.5199 -4.5156 -4.5156 -4.4470 -4.4470 -4.4413 -4.4413 -2.1686 -2.1686 -2.1661 -2.1661 -1.6454 -1.6454 -1.6425 -1.6425 -1.4550 -1.4550 -1.4505 -1.4505 -1.0285 -1.0285 -1.0189 -1.0189 -0.8558 -0.8558 -0.8472 -0.8472 0.1623 0.1623 0.1701 0.1701 0.3197 0.3197 0.3262 0.3262 0.8546 0.8546 0.8565 0.8565 9.3268 9.3268 9.3293 9.3293 9.8143 9.8143 9.8159 9.8159 10.6572 10.6572 10.6587 10.6587 k = 0.1874 0.5000 0.3573 ( 6516 PWs) bands (ev): -19.3135 -19.3135 -19.3132 -19.3132 -17.0562 -17.0562 -17.0530 -17.0530 -16.7603 -16.7603 -16.7571 -16.7571 -16.6582 -16.6582 -16.6537 -16.6537 -7.3180 -7.3180 -7.3175 -7.3175 -5.4263 -5.4263 -5.4220 -5.4220 -4.5096 -4.5096 -4.5055 -4.5055 -4.4348 -4.4348 -4.4290 -4.4290 -2.1645 -2.1645 -2.1618 -2.1618 -1.6562 -1.6562 -1.6530 -1.6530 -1.4695 -1.4695 -1.4647 -1.4647 -1.0282 -1.0282 -1.0182 -1.0182 -0.8499 -0.8499 -0.8410 -0.8410 0.1552 0.1552 0.1631 0.1631 0.3206 0.3206 0.3273 0.3273 0.8453 0.8453 0.8471 0.8471 9.3619 9.3619 9.3645 9.3645 9.8343 9.8343 9.8359 9.8359 10.6734 10.6734 10.6749 10.6749 k = 0.2030 0.5000 0.3573 ( 6518 PWs) bands (ev): -19.3103 -19.3103 -19.3100 -19.3100 -17.0584 -17.0584 -17.0550 -17.0550 -16.7630 -16.7630 -16.7597 -16.7597 -16.6601 -16.6601 -16.6554 -16.6554 -7.2949 -7.2949 -7.2943 -7.2943 -5.4543 -5.4543 -5.4499 -5.4499 -4.4991 -4.4991 -4.4951 -4.4951 -4.4223 -4.4223 -4.4165 -4.4165 -2.1600 -2.1600 -2.1572 -2.1572 -1.6675 -1.6675 -1.6641 -1.6641 -1.4838 -1.4838 -1.4787 -1.4787 -1.0292 -1.0292 -1.0189 -1.0189 -0.8443 -0.8443 -0.8352 -0.8352 0.1487 0.1487 0.1567 0.1567 0.3218 0.3218 0.3287 0.3287 0.8352 0.8352 0.8371 0.8371 9.3991 9.3991 9.4018 9.4018 9.8559 9.8559 9.8577 9.8577 10.6900 10.6900 10.6914 10.6914 k = 0.2186 0.5000 0.3573 ( 6514 PWs) bands (ev): -19.3070 -19.3070 -19.3067 -19.3067 -17.0608 -17.0608 -17.0572 -17.0572 -16.7658 -16.7658 -16.7625 -16.7625 -16.6619 -16.6619 -16.6571 -16.6571 -7.2706 -7.2706 -7.2699 -7.2699 -5.4832 -5.4832 -5.4786 -5.4786 -4.4882 -4.4882 -4.4845 -4.4845 -4.4097 -4.4097 -4.4038 -4.4038 -2.1552 -2.1552 -2.1522 -2.1522 -1.6795 -1.6795 -1.6757 -1.6757 -1.4975 -1.4975 -1.4922 -1.4922 -1.0314 -1.0314 -1.0209 -1.0209 -0.8390 -0.8390 -0.8298 -0.8298 0.1432 0.1432 0.1513 0.1513 0.3233 0.3233 0.3304 0.3304 0.8244 0.8244 0.8264 0.8264 9.4379 9.4379 9.4408 9.4408 9.8795 9.8795 9.8814 9.8814 10.7066 10.7066 10.7081 10.7081 k = 0.2342 0.5000 0.3573 ( 6520 PWs) bands (ev): -19.3036 -19.3036 -19.3033 -19.3033 -17.0632 -17.0632 -17.0595 -17.0595 -16.7687 -16.7687 -16.7653 -16.7653 -16.6637 -16.6637 -16.6588 -16.6588 -7.2452 -7.2452 -7.2445 -7.2445 -5.5127 -5.5127 -5.5080 -5.5080 -4.4773 -4.4773 -4.4737 -4.4737 -4.3970 -4.3970 -4.3910 -4.3910 -2.1500 -2.1500 -2.1470 -2.1470 -1.6921 -1.6921 -1.6880 -1.6880 -1.5104 -1.5104 -1.5050 -1.5050 -1.0351 -1.0351 -1.0245 -1.0245 -0.8341 -0.8341 -0.8249 -0.8249 0.1387 0.1387 0.1469 0.1469 0.3250 0.3250 0.3324 0.3324 0.8130 0.8130 0.8151 0.8151 9.4780 9.4780 9.4811 9.4811 9.9049 9.9049 9.9070 9.9070 10.7230 10.7230 10.7245 10.7245 k = 0.2498 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.3002 -19.3002 -19.2998 -19.2998 -17.0658 -17.0658 -17.0619 -17.0619 -16.7716 -16.7716 -16.7682 -16.7682 -16.6653 -16.6653 -16.6604 -16.6604 -7.2190 -7.2190 -7.2182 -7.2182 -5.5427 -5.5427 -5.5379 -5.5379 -4.4664 -4.4664 -4.4630 -4.4630 -4.3843 -4.3843 -4.3783 -4.3783 -2.1446 -2.1446 -2.1414 -2.1414 -1.7053 -1.7053 -1.7010 -1.7010 -1.5225 -1.5225 -1.5170 -1.5170 -1.0403 -1.0403 -1.0296 -1.0296 -0.8295 -0.8295 -0.8204 -0.8204 0.1353 0.1353 0.1437 0.1437 0.3271 0.3271 0.3347 0.3347 0.8009 0.8009 0.8031 0.8031 9.5190 9.5190 9.5223 9.5223 9.9323 9.9323 9.9347 9.9347 10.7389 10.7389 10.7403 10.7403 k = 0.2655 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.2967 -19.2967 -19.2964 -19.2964 -17.0685 -17.0685 -17.0644 -17.0644 -16.7744 -16.7744 -16.7712 -16.7712 -16.6669 -16.6669 -16.6619 -16.6619 -7.1920 -7.1920 -7.1912 -7.1912 -5.5729 -5.5729 -5.5681 -5.5681 -4.4555 -4.4555 -4.4523 -4.4523 -4.3717 -4.3717 -4.3657 -4.3657 -2.1388 -2.1388 -2.1355 -2.1355 -1.7194 -1.7194 -1.7147 -1.7147 -1.5334 -1.5334 -1.5278 -1.5278 -1.0470 -1.0470 -1.0364 -1.0364 -0.8252 -0.8252 -0.8163 -0.8163 0.1333 0.1333 0.1418 0.1418 0.3295 0.3295 0.3374 0.3374 0.7883 0.7883 0.7906 0.7906 9.5604 9.5604 9.5639 9.5639 9.9620 9.9620 9.9645 9.9645 10.7539 10.7539 10.7553 10.7553 k = 0.2811 0.5000 0.3573 ( 6522 PWs) bands (ev): -19.2933 -19.2933 -19.2929 -19.2929 -17.0712 -17.0712 -17.0670 -17.0670 -16.7773 -16.7773 -16.7741 -16.7741 -16.6684 -16.6684 -16.6633 -16.6633 -7.1646 -7.1646 -7.1637 -7.1637 -5.6033 -5.6033 -5.5984 -5.5984 -4.4449 -4.4449 -4.4418 -4.4418 -4.3592 -4.3592 -4.3533 -4.3533 -2.1327 -2.1327 -2.1292 -2.1292 -1.7341 -1.7341 -1.7291 -1.7291 -1.5429 -1.5429 -1.5375 -1.5375 -1.0552 -1.0552 -1.0446 -1.0446 -0.8212 -0.8212 -0.8126 -0.8126 0.1324 0.1324 0.1410 0.1410 0.3323 0.3323 0.3405 0.3405 0.7752 0.7752 0.7776 0.7776 9.6018 9.6018 9.6055 9.6055 9.9940 9.9940 9.9967 9.9967 10.7678 10.7678 10.7691 10.7691 k = 0.2967 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.2899 -19.2899 -19.2895 -19.2895 -17.0739 -17.0739 -17.0697 -17.0697 -16.7800 -16.7800 -16.7769 -16.7769 -16.6698 -16.6698 -16.6647 -16.6647 -7.1369 -7.1369 -7.1359 -7.1359 -5.6336 -5.6336 -5.6286 -5.6286 -4.4346 -4.4346 -4.4317 -4.4317 -4.3469 -4.3469 -4.3412 -4.3412 -2.1262 -2.1262 -2.1226 -2.1226 -1.7495 -1.7495 -1.7442 -1.7442 -1.5511 -1.5511 -1.5458 -1.5458 -1.0647 -1.0647 -1.0543 -1.0543 -0.8174 -0.8174 -0.8093 -0.8093 0.1327 0.1327 0.1414 0.1414 0.3356 0.3356 0.3440 0.3440 0.7617 0.7617 0.7641 0.7641 9.6426 9.6426 9.6464 9.6464 10.0284 10.0284 10.0315 10.0315 10.7801 10.7801 10.7815 10.7815 k = 0.3123 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.2866 -19.2866 -19.2862 -19.2862 -17.0766 -17.0766 -17.0723 -17.0723 -16.7827 -16.7827 -16.7797 -16.7797 -16.6710 -16.6710 -16.6659 -16.6659 -7.1092 -7.1092 -7.1080 -7.1080 -5.6635 -5.6635 -5.6584 -5.6584 -4.4247 -4.4247 -4.4219 -4.4219 -4.3349 -4.3349 -4.3293 -4.3293 -2.1193 -2.1193 -2.1156 -2.1156 -1.7656 -1.7656 -1.7599 -1.7599 -1.5579 -1.5579 -1.5527 -1.5527 -1.0755 -1.0755 -1.0651 -1.0651 -0.8140 -0.8140 -0.8063 -0.8063 0.1341 0.1341 0.1429 0.1429 0.3393 0.3393 0.3480 0.3480 0.7478 0.7478 0.7503 0.7503 9.6822 9.6822 9.6862 9.6862 10.0656 10.0656 10.0688 10.0688 10.7905 10.7905 10.7920 10.7920 k = 0.3279 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.2834 -19.2834 -19.2830 -19.2830 -17.0793 -17.0793 -17.0750 -17.0750 -16.7852 -16.7852 -16.7824 -16.7824 -16.6722 -16.6722 -16.6670 -16.6670 -7.0817 -7.0817 -7.0804 -7.0804 -5.6929 -5.6929 -5.6877 -5.6877 -4.4153 -4.4153 -4.4127 -4.4127 -4.3233 -4.3233 -4.3179 -4.3179 -2.1121 -2.1121 -2.1083 -2.1083 -1.7823 -1.7823 -1.7762 -1.7762 -1.5633 -1.5633 -1.5582 -1.5582 -1.0872 -1.0872 -1.0770 -1.0770 -0.8107 -0.8107 -0.8036 -0.8036 0.1365 0.1365 0.1453 0.1453 0.3434 0.3434 0.3524 0.3524 0.7337 0.7337 0.7363 0.7363 9.7201 9.7201 9.7242 9.7242 10.1055 10.1055 10.1089 10.1089 10.7990 10.7990 10.8006 10.8006 k = 0.3435 0.5000 0.3573 ( 6526 PWs) bands (ev): -19.2803 -19.2803 -19.2799 -19.2799 -17.0820 -17.0820 -17.0776 -17.0776 -16.7876 -16.7876 -16.7849 -16.7849 -16.6733 -16.6733 -16.6681 -16.6681 -7.0547 -7.0547 -7.0533 -7.0533 -5.7215 -5.7215 -5.7162 -5.7162 -4.4066 -4.4066 -4.4041 -4.4041 -4.3121 -4.3121 -4.3069 -4.3069 -2.1044 -2.1044 -2.1006 -2.1006 -1.7994 -1.7994 -1.7929 -1.7929 -1.5673 -1.5673 -1.5625 -1.5625 -1.0997 -1.0997 -1.0895 -1.0895 -0.8077 -0.8077 -0.8011 -0.8011 0.1395 0.1395 0.1483 0.1483 0.3481 0.3481 0.3573 0.3573 0.7194 0.7194 0.7222 0.7222 9.7558 9.7558 9.7600 9.7600 10.1481 10.1481 10.1518 10.1518 10.8052 10.8052 10.8070 10.8070 k = 0.3592 0.5000 0.3573 ( 6530 PWs) bands (ev): -19.2775 -19.2775 -19.2771 -19.2771 -17.0845 -17.0845 -17.0801 -17.0801 -16.7897 -16.7897 -16.7873 -16.7873 -16.6742 -16.6742 -16.6690 -16.6690 -7.0285 -7.0285 -7.0270 -7.0270 -5.7489 -5.7489 -5.7437 -5.7437 -4.3985 -4.3985 -4.3962 -4.3962 -4.3015 -4.3015 -4.2966 -4.2966 -2.0963 -2.0963 -2.0925 -2.0925 -1.8167 -1.8167 -1.8099 -1.8099 -1.5701 -1.5701 -1.5655 -1.5655 -1.1126 -1.1126 -1.1025 -1.1025 -0.8050 -0.8050 -0.7989 -0.7989 0.1431 0.1431 0.1518 0.1518 0.3533 0.3533 0.3627 0.3627 0.7052 0.7052 0.7080 0.7080 9.7890 9.7890 9.7932 9.7932 10.1934 10.1934 10.1972 10.1972 10.8093 10.8093 10.8114 10.8114 k = 0.3748 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.2748 -19.2748 -19.2744 -19.2744 -17.0869 -17.0869 -17.0824 -17.0824 -16.7917 -16.7917 -16.7894 -16.7894 -16.6750 -16.6750 -16.6698 -16.6698 -7.0035 -7.0035 -7.0018 -7.0018 -5.7750 -5.7750 -5.7697 -5.7697 -4.3912 -4.3912 -4.3890 -4.3890 -4.2915 -4.2915 -4.2869 -4.2869 -2.0878 -2.0878 -2.0839 -2.0839 -1.8341 -1.8341 -1.8269 -1.8269 -1.5718 -1.5718 -1.5674 -1.5674 -1.1255 -1.1255 -1.1155 -1.1155 -0.8024 -0.8024 -0.7968 -0.7968 0.1470 0.1470 0.1556 0.1556 0.3589 0.3589 0.3685 0.3685 0.6911 0.6911 0.6941 0.6941 9.8192 9.8192 9.8235 9.8235 10.2410 10.2410 10.2450 10.2450 10.8112 10.8112 10.8137 10.8137 k = 0.3904 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.2724 -19.2724 -19.2720 -19.2720 -17.0891 -17.0891 -17.0846 -17.0846 -16.7935 -16.7935 -16.7914 -16.7914 -16.6758 -16.6758 -16.6706 -16.6706 -6.9800 -6.9800 -6.9782 -6.9782 -5.7994 -5.7994 -5.7939 -5.7939 -4.3846 -4.3846 -4.3826 -4.3826 -4.2824 -4.2824 -4.2780 -4.2780 -2.0789 -2.0789 -2.0751 -2.0751 -1.8515 -1.8515 -1.8439 -1.8439 -1.5727 -1.5727 -1.5684 -1.5684 -1.1381 -1.1381 -1.1281 -1.1281 -0.8001 -0.8001 -0.7950 -0.7950 0.1510 0.1510 0.1595 0.1595 0.3649 0.3649 0.3746 0.3746 0.6774 0.6774 0.6805 0.6805 9.8463 9.8463 9.8505 9.8505 10.2904 10.2904 10.2946 10.2946 10.8113 10.8113 10.8142 10.8142 k = 0.4060 0.5000 0.3573 ( 6524 PWs) bands (ev): -19.2703 -19.2703 -19.2698 -19.2698 -17.0911 -17.0911 -17.0866 -17.0866 -16.7950 -16.7950 -16.7931 -16.7931 -16.6764 -16.6764 -16.6712 -16.6712 -6.9584 -6.9584 -6.9566 -6.9566 -5.8216 -5.8216 -5.8161 -5.8161 -4.3789 -4.3789 -4.3770 -4.3770 -4.2741 -4.2741 -4.2701 -4.2701 -2.0697 -2.0697 -2.0658 -2.0658 -1.8685 -1.8685 -1.8604 -1.8604 -1.5728 -1.5728 -1.5686 -1.5686 -1.1501 -1.1501 -1.1401 -1.1401 -0.7981 -0.7981 -0.7935 -0.7935 0.1549 0.1549 0.1632 0.1632 0.3710 0.3710 0.3809 0.3809 0.6644 0.6644 0.6676 0.6676 9.8701 9.8701 9.8743 9.8743 10.3410 10.3410 10.3454 10.3454 10.8095 10.8095 10.8130 10.8130 k = 0.4216 0.5000 0.3573 ( 6534 PWs) bands (ev): -19.2684 -19.2684 -19.2680 -19.2680 -17.0928 -17.0928 -17.0884 -17.0884 -16.7963 -16.7963 -16.7947 -16.7947 -16.6769 -16.6769 -16.6717 -16.6717 -6.9392 -6.9392 -6.9373 -6.9373 -5.8414 -5.8414 -5.8358 -5.8358 -4.3739 -4.3739 -4.3722 -4.3722 -4.2669 -4.2669 -4.2631 -4.2631 -2.0602 -2.0602 -2.0564 -2.0564 -1.8849 -1.8849 -1.8763 -1.8763 -1.5724 -1.5724 -1.5684 -1.5684 -1.1611 -1.1611 -1.1510 -1.1510 -0.7964 -0.7964 -0.7921 -0.7921 0.1585 0.1585 0.1666 0.1666 0.3772 0.3772 0.3872 0.3872 0.6522 0.6522 0.6556 0.6556 9.8905 9.8905 9.8946 9.8946 10.3918 10.3918 10.3965 10.3965 10.8062 10.8062 10.8101 10.8101 k = 0.4372 0.5000 0.3573 ( 6528 PWs) bands (ev): -19.2669 -19.2669 -19.2664 -19.2664 -17.0943 -17.0943 -17.0898 -17.0898 -16.7973 -16.7973 -16.7959 -16.7959 -16.6774 -16.6774 -16.6722 -16.6722 -6.9228 -6.9228 -6.9207 -6.9207 -5.8583 -5.8583 -5.8526 -5.8526 -4.3699 -4.3699 -4.3683 -4.3683 -4.2608 -4.2608 -4.2573 -4.2573 -2.0507 -2.0507 -2.0470 -2.0470 -1.9004 -1.9004 -1.8912 -1.8912 -1.5717 -1.5717 -1.5677 -1.5677 -1.1707 -1.1707 -1.1605 -1.1605 -0.7949 -0.7949 -0.7910 -0.7910 0.1617 0.1617 0.1696 0.1696 0.3831 0.3831 0.3931 0.3931 0.6414 0.6414 0.6449 0.6449 9.9074 9.9074 9.9114 9.9114 10.4417 10.4417 10.4468 10.4468 10.8011 10.8011 10.8056 10.8056 k = 0.4528 0.5000 0.3573 ( 6522 PWs) bands (ev): -19.2656 -19.2656 -19.2652 -19.2652 -17.0954 -17.0954 -17.0910 -17.0910 -16.7981 -16.7981 -16.7970 -16.7970 -16.6777 -16.6777 -16.6725 -16.6725 -6.9094 -6.9094 -6.9073 -6.9073 -5.8719 -5.8719 -5.8661 -5.8661 -4.3667 -4.3667 -4.3652 -4.3652 -4.2560 -4.2560 -4.2527 -4.2527 -2.0417 -2.0417 -2.0380 -2.0380 -1.9144 -1.9144 -1.9044 -1.9044 -1.5709 -1.5709 -1.5670 -1.5670 -1.1785 -1.1785 -1.1683 -1.1683 -0.7938 -0.7938 -0.7902 -0.7902 0.1642 0.1642 0.1720 0.1720 0.3884 0.3884 0.3984 0.3984 0.6323 0.6323 0.6359 0.6359 9.9207 9.9207 9.9246 9.9246 10.4889 10.4889 10.4944 10.4944 10.7942 10.7942 10.7991 10.7991 k = 0.4685 0.5000 0.3573 ( 6518 PWs) bands (ev): -19.2647 -19.2647 -19.2643 -19.2643 -17.0963 -17.0963 -17.0919 -17.0919 -16.7986 -16.7986 -16.7977 -16.7977 -16.6779 -16.6779 -16.6727 -16.6727 -6.8996 -6.8996 -6.8974 -6.8974 -5.8819 -5.8819 -5.8761 -5.8761 -4.3645 -4.3645 -4.3630 -4.3630 -4.2524 -4.2524 -4.2493 -4.2493 -2.0338 -2.0338 -2.0299 -2.0299 -1.9262 -1.9262 -1.9153 -1.9153 -1.5701 -1.5701 -1.5663 -1.5663 -1.1844 -1.1844 -1.1741 -1.1741 -0.7929 -0.7929 -0.7896 -0.7896 0.1662 0.1662 0.1737 0.1737 0.3925 0.3925 0.4026 0.4026 0.6253 0.6253 0.6290 0.6290 9.9302 9.9302 9.9341 9.9341 10.5303 10.5303 10.5363 10.5363 10.7855 10.7855 10.7902 10.7902 k = 0.4841 0.5000 0.3573 ( 6512 PWs) bands (ev): -19.2642 -19.2642 -19.2638 -19.2638 -17.0968 -17.0968 -17.0924 -17.0924 -16.7989 -16.7989 -16.7982 -16.7982 -16.6781 -16.6781 -16.6729 -16.6729 -6.8936 -6.8936 -6.8913 -6.8913 -5.8881 -5.8881 -5.8822 -5.8822 -4.3631 -4.3631 -4.3617 -4.3617 -4.2503 -4.2503 -4.2472 -4.2472 -2.0281 -2.0281 -2.0241 -2.0241 -1.9344 -1.9344 -1.9228 -1.9228 -1.5696 -1.5696 -1.5658 -1.5658 -1.1880 -1.1880 -1.1777 -1.1777 -0.7924 -0.7924 -0.7892 -0.7892 0.1674 0.1674 0.1748 0.1748 0.3952 0.3952 0.4053 0.4053 0.6209 0.6209 0.6246 0.6246 9.9360 9.9360 9.9399 9.9399 10.5607 10.5607 10.5672 10.5672 10.7771 10.7771 10.7804 10.7804 k = 0.4997 0.5000 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k = 0.4997 0.5000 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k = 0.4886 0.4889 0.3573 ( 6512 PWs) bands (ev): -19.2642 -19.2642 -19.2638 -19.2638 -17.0968 -17.0968 -17.0924 -17.0924 -16.7989 -16.7989 -16.7982 -16.7982 -16.6781 -16.6781 -16.6729 -16.6729 -6.8936 -6.8936 -6.8914 -6.8914 -5.8880 -5.8880 -5.8822 -5.8822 -4.3632 -4.3632 -4.3618 -4.3618 -4.2502 -4.2502 -4.2472 -4.2472 -2.0270 -2.0270 -2.0228 -2.0228 -1.9358 -1.9358 -1.9241 -1.9241 -1.5696 -1.5696 -1.5657 -1.5657 -1.1878 -1.1878 -1.1774 -1.1774 -0.7925 -0.7925 -0.7893 -0.7893 0.1674 0.1674 0.1748 0.1748 0.3954 0.3954 0.4055 0.4055 0.6208 0.6208 0.6245 0.6245 9.9361 9.9361 9.9400 9.9400 10.5626 10.5626 10.5689 10.5689 10.7739 10.7739 10.7755 10.7755 k = 0.4775 0.4778 0.3573 ( 6520 PWs) bands (ev): -19.2648 -19.2648 -19.2643 -19.2643 -17.0963 -17.0963 -17.0918 -17.0918 -16.7987 -16.7987 -16.7977 -16.7977 -16.6779 -16.6779 -16.6727 -16.6727 -6.8997 -6.8997 -6.8975 -6.8975 -5.8817 -5.8817 -5.8759 -5.8759 -4.3649 -4.3649 -4.3635 -4.3635 -4.2523 -4.2523 -4.2491 -4.2491 -2.0295 -2.0295 -2.0253 -2.0253 -1.9316 -1.9316 -1.9202 -1.9202 -1.5700 -1.5700 -1.5660 -1.5660 -1.1835 -1.1835 -1.1731 -1.1731 -0.7932 -0.7932 -0.7899 -0.7899 0.1661 0.1661 0.1736 0.1736 0.3931 0.3931 0.4032 0.4032 0.6247 0.6247 0.6285 0.6285 9.9306 9.9306 9.9346 9.9346 10.5368 10.5368 10.5422 10.5422 10.7748 10.7748 10.7763 10.7763 k = 0.4664 0.4667 0.3573 ( 6518 PWs) bands (ev): -19.2657 -19.2657 -19.2652 -19.2652 -17.0954 -17.0954 -17.0909 -17.0909 -16.7982 -16.7982 -16.7970 -16.7970 -16.6776 -16.6776 -16.6724 -16.6724 -6.9097 -6.9097 -6.9075 -6.9075 -5.8716 -5.8716 -5.8658 -5.8658 -4.3678 -4.3678 -4.3662 -4.3662 -4.2556 -4.2556 -4.2521 -4.2521 -2.0331 -2.0331 -2.0290 -2.0290 -1.9251 -1.9251 -1.9142 -1.9142 -1.5706 -1.5706 -1.5663 -1.5663 -1.1765 -1.1765 -1.1661 -1.1661 -0.7944 -0.7944 -0.7909 -0.7909 0.1642 0.1642 0.1718 0.1718 0.3896 0.3896 0.3999 0.3999 0.6310 0.6310 0.6348 0.6348 9.9210 9.9210 9.9251 9.9251 10.5015 10.5015 10.5060 10.5060 10.7761 10.7761 10.7775 10.7775 k = 0.4553 0.4556 0.3573 ( 6520 PWs) bands (ev): -19.2669 -19.2669 -19.2665 -19.2665 -17.0941 -17.0941 -17.0897 -17.0897 -16.7975 -16.7975 -16.7960 -16.7960 -16.6772 -16.6772 -16.6721 -16.6721 -6.9231 -6.9231 -6.9211 -6.9211 -5.8577 -5.8577 -5.8521 -5.8521 -4.3717 -4.3717 -4.3700 -4.3700 -4.2601 -4.2601 -4.2563 -4.2563 -2.0373 -2.0373 -2.0333 -2.0333 -1.9171 -1.9171 -1.9067 -1.9067 -1.5711 -1.5711 -1.5665 -1.5665 -1.1671 -1.1671 -1.1567 -1.1567 -0.7960 -0.7960 -0.7924 -0.7924 0.1615 0.1615 0.1691 0.1691 0.3854 0.3854 0.3957 0.3957 0.6392 0.6392 0.6429 0.6429 9.9066 9.9066 9.9109 9.9109 10.4622 10.4622 10.4660 10.4660 10.7778 10.7778 10.7792 10.7792 k = 0.4442 0.4444 0.3573 ( 6530 PWs) bands (ev): -19.2685 -19.2685 -19.2681 -19.2681 -17.0925 -17.0925 -17.0881 -17.0881 -16.7965 -16.7965 -16.7948 -16.7948 -16.6768 -16.6768 -16.6716 -16.6716 -6.9398 -6.9398 -6.9378 -6.9378 -5.8406 -5.8406 -5.8351 -5.8351 -4.3768 -4.3768 -4.3748 -4.3748 -4.2657 -4.2657 -4.2616 -4.2616 -2.0418 -2.0418 -2.0377 -2.0377 -1.9081 -1.9081 -1.8982 -1.8982 -1.5713 -1.5713 -1.5665 -1.5665 -1.1555 -1.1555 -1.1452 -1.1452 -0.7981 -0.7981 -0.7942 -0.7942 0.1581 0.1581 0.1658 0.1658 0.3809 0.3809 0.3912 0.3912 0.6488 0.6488 0.6525 0.6525 9.8864 9.8864 9.8909 9.8909 10.4229 10.4229 10.4263 10.4263 10.7797 10.7797 10.7814 10.7814 k = 0.4331 0.4333 0.3573 ( 6522 PWs) bands (ev): -19.2705 -19.2705 -19.2700 -19.2700 -17.0906 -17.0906 -17.0862 -17.0862 -16.7953 -16.7953 -16.7934 -16.7934 -16.6762 -16.6762 -16.6710 -16.6710 -6.9593 -6.9593 -6.9575 -6.9575 -5.8207 -5.8207 -5.8152 -5.8152 -4.3829 -4.3829 -4.3808 -4.3808 -4.2724 -4.2724 -4.2679 -4.2679 -2.0461 -2.0461 -2.0420 -2.0420 -1.8985 -1.8985 -1.8889 -1.8889 -1.5710 -1.5710 -1.5659 -1.5659 -1.1421 -1.1421 -1.1317 -1.1317 -0.8007 -0.8007 -0.7964 -0.7964 0.1541 0.1541 0.1619 0.1619 0.3765 0.3765 0.3868 0.3868 0.6594 0.6594 0.6631 0.6631 9.8595 9.8595 9.8643 9.8643 10.3864 10.3864 10.3897 10.3897 10.7822 10.7822 10.7841 10.7841 k = 0.4220 0.4222 0.3573 ( 6518 PWs) bands (ev): -19.2727 -19.2727 -19.2723 -19.2723 -17.0884 -17.0884 -17.0840 -17.0840 -16.7939 -16.7939 -16.7917 -16.7917 -16.6755 -16.6755 -16.6703 -16.6703 -6.9813 -6.9813 -6.9796 -6.9796 -5.7982 -5.7982 -5.7928 -5.7928 -4.3901 -4.3901 -4.3878 -4.3878 -4.2800 -4.2800 -4.2752 -4.2752 -2.0500 -2.0500 -2.0459 -2.0459 -1.8886 -1.8886 -1.8794 -1.8794 -1.5699 -1.5699 -1.5646 -1.5646 -1.1272 -1.1272 -1.1168 -1.1168 -0.8036 -0.8036 -0.7991 -0.7991 0.1497 0.1497 0.1574 0.1574 0.3725 0.3725 0.3827 0.3827 0.6708 0.6708 0.6743 0.6743 9.8254 9.8254 9.8302 9.8302 10.3546 10.3546 10.3582 10.3582 10.7851 10.7851 10.7872 10.7872 k = 0.4109 0.4111 0.3573 ( 6514 PWs) bands (ev): -19.2753 -19.2753 -19.2749 -19.2749 -17.0859 -17.0859 -17.0814 -17.0814 -16.7923 -16.7923 -16.7898 -16.7898 -16.6747 -16.6747 -16.6695 -16.6695 -7.0054 -7.0054 -7.0038 -7.0038 -5.7737 -5.7737 -5.7684 -5.7684 -4.3983 -4.3983 -4.3958 -4.3958 -4.2883 -4.2883 -4.2832 -4.2832 -2.0533 -2.0533 -2.0491 -2.0491 -1.8788 -1.8788 -1.8699 -1.8699 -1.5679 -1.5679 -1.5624 -1.5624 -1.1111 -1.1111 -1.1007 -1.1007 -0.8070 -0.8070 -0.8021 -0.8021 0.1449 0.1449 0.1525 0.1525 0.3693 0.3693 0.3793 0.3793 0.6825 0.6825 0.6859 0.6859 9.7837 9.7837 9.7886 9.7886 10.3288 10.3288 10.3327 10.3327 10.7885 10.7885 10.7909 10.7909 k = 0.3998 0.4000 0.3573 ( 6502 PWs) bands (ev): -19.2781 -19.2781 -19.2777 -19.2777 -17.0831 -17.0831 -17.0786 -17.0786 -16.7904 -16.7904 -16.7876 -16.7876 -16.6738 -16.6738 -16.6686 -16.6686 -7.0313 -7.0313 -7.0297 -7.0297 -5.7474 -5.7474 -5.7422 -5.7422 -4.4075 -4.4075 -4.4048 -4.4048 -4.2974 -4.2974 -4.2919 -4.2919 -2.0558 -2.0558 -2.0516 -2.0516 -1.8692 -1.8692 -1.8606 -1.8606 -1.5648 -1.5648 -1.5591 -1.5591 -1.0942 -1.0942 -1.0837 -1.0837 -0.8108 -0.8108 -0.8055 -0.8055 0.1400 0.1400 0.1474 0.1474 0.3668 0.3668 0.3766 0.3766 0.6943 0.6943 0.6976 0.6976 9.7349 9.7349 9.7397 9.7397 10.3092 10.3092 10.3134 10.3134 10.7924 10.7924 10.7950 10.7950 k = 0.3886 0.3889 0.3573 ( 6510 PWs) bands (ev): -19.2813 -19.2813 -19.2809 -19.2809 -17.0801 -17.0801 -17.0756 -17.0756 -16.7883 -16.7883 -16.7852 -16.7852 -16.6729 -16.6729 -16.6677 -16.6677 -7.0585 -7.0585 -7.0571 -7.0571 -5.7199 -5.7199 -5.7148 -5.7148 -4.4176 -4.4176 -4.4148 -4.4148 -4.3070 -4.3070 -4.3012 -4.3012 -2.0574 -2.0574 -2.0533 -2.0533 -1.8601 -1.8601 -1.8517 -1.8517 -1.5603 -1.5603 -1.5546 -1.5546 -1.0767 -1.0767 -1.0662 -1.0662 -0.8150 -0.8150 -0.8092 -0.8092 0.1351 0.1351 0.1423 0.1423 0.3653 0.3653 0.3748 0.3748 0.7060 0.7060 0.7091 0.7091 9.6798 9.6798 9.6844 9.6844 10.2954 10.2954 10.2999 10.2999 10.7969 10.7969 10.7997 10.7997 k = 0.3775 0.3778 0.3573 ( 6522 PWs) bands (ev): -19.2847 -19.2847 -19.2843 -19.2843 -17.0768 -17.0768 -17.0723 -17.0723 -16.7860 -16.7860 -16.7827 -16.7827 -16.6719 -16.6719 -16.6667 -16.6667 -7.0869 -7.0869 -7.0856 -7.0856 -5.6914 -5.6914 -5.6863 -5.6863 -4.4286 -4.4286 -4.4257 -4.4257 -4.3171 -4.3171 -4.3110 -4.3110 -2.0581 -2.0581 -2.0540 -2.0540 -1.8516 -1.8516 -1.8435 -1.8435 -1.5545 -1.5545 -1.5488 -1.5488 -1.0591 -1.0591 -1.0485 -1.0485 -0.8195 -0.8195 -0.8133 -0.8133 0.1305 0.1305 0.1374 0.1374 0.3648 0.3648 0.3739 0.3739 0.7174 0.7174 0.7204 0.7204 9.6194 9.6194 9.6238 9.6238 10.2868 10.2868 10.2915 10.2915 10.8018 10.8018 10.8048 10.8048 k = 0.3664 0.3667 0.3573 ( 6522 PWs) bands (ev): -19.2883 -19.2883 -19.2879 -19.2879 -17.0733 -17.0733 -17.0688 -17.0688 -16.7835 -16.7835 -16.7799 -16.7799 -16.6708 -16.6708 -16.6656 -16.6656 -7.1162 -7.1162 -7.1149 -7.1149 -5.6622 -5.6622 -5.6572 -5.6572 -4.4404 -4.4404 -4.4374 -4.4374 -4.3275 -4.3275 -4.3212 -4.3212 -2.0578 -2.0578 -2.0537 -2.0537 -1.8438 -1.8438 -1.8360 -1.8360 -1.5473 -1.5473 -1.5416 -1.5416 -1.0417 -1.0417 -1.0310 -1.0310 -0.8243 -0.8243 -0.8177 -0.8177 0.1264 0.1264 0.1330 0.1330 0.3652 0.3652 0.3740 0.3740 0.7284 0.7284 0.7312 0.7312 9.5550 9.5550 9.5590 9.5590 10.2824 10.2824 10.2874 10.2874 10.8073 10.8073 10.8105 10.8105 k = 0.3553 0.3556 0.3573 ( 6526 PWs) bands (ev): -19.2922 -19.2922 -19.2918 -19.2918 -17.0697 -17.0697 -17.0651 -17.0651 -16.7807 -16.7807 -16.7769 -16.7769 -16.6696 -16.6696 -16.6644 -16.6644 -7.1461 -7.1461 -7.1449 -7.1449 -5.6326 -5.6326 -5.6276 -5.6276 -4.4528 -4.4528 -4.4497 -4.4497 -4.3382 -4.3382 -4.3318 -4.3318 -2.0563 -2.0563 -2.0523 -2.0523 -1.8368 -1.8368 -1.8293 -1.8293 -1.5388 -1.5388 -1.5331 -1.5331 -1.0247 -1.0247 -1.0138 -1.0138 -0.8294 -0.8294 -0.8224 -0.8224 0.1230 0.1230 0.1294 0.1294 0.3665 0.3665 0.3750 0.3750 0.7388 0.7388 0.7414 0.7414 9.4874 9.4874 9.4912 9.4912 10.2817 10.2817 10.2869 10.2869 10.8131 10.8131 10.8165 10.8165 k = 0.3442 0.3444 0.3573 ( 6522 PWs) bands (ev): -19.2962 -19.2962 -19.2959 -19.2959 -17.0658 -17.0658 -17.0613 -17.0613 -16.7778 -16.7778 -16.7737 -16.7737 -16.6684 -16.6684 -16.6632 -16.6632 -7.1764 -7.1764 -7.1753 -7.1753 -5.6029 -5.6029 -5.5979 -5.5979 -4.4657 -4.4657 -4.4626 -4.4626 -4.3490 -4.3490 -4.3425 -4.3425 -2.0538 -2.0538 -2.0497 -2.0497 -1.8307 -1.8307 -1.8235 -1.8235 -1.5289 -1.5289 -1.5234 -1.5234 -1.0085 -1.0085 -0.9974 -0.9974 -0.8346 -0.8346 -0.8272 -0.8272 0.1205 0.1205 0.1266 0.1266 0.3688 0.3688 0.3770 0.3770 0.7485 0.7485 0.7510 0.7510 9.4177 9.4177 9.4211 9.4211 10.2840 10.2840 10.2894 10.2894 10.8192 10.8192 10.8230 10.8230 k = 0.3331 0.3333 0.3573 ( 6518 PWs) bands (ev): -19.3005 -19.3005 -19.3001 -19.3001 -17.0618 -17.0618 -17.0573 -17.0573 -16.7746 -16.7746 -16.7704 -16.7704 -16.6671 -16.6671 -16.6619 -16.6619 -7.2069 -7.2069 -7.2059 -7.2059 -5.5733 -5.5733 -5.5684 -5.5684 -4.4791 -4.4791 -4.4759 -4.4759 -4.3600 -4.3600 -4.3534 -4.3534 -2.0500 -2.0500 -2.0460 -2.0460 -1.8253 -1.8253 -1.8185 -1.8185 -1.5178 -1.5178 -1.5125 -1.5125 -0.9934 -0.9934 -0.9820 -0.9820 -0.8400 -0.8400 -0.8321 -0.8321 0.1191 0.1191 0.1250 0.1250 0.3719 0.3719 0.3798 0.3798 0.7575 0.7575 0.7598 0.7598 9.3464 9.3464 9.3496 9.3496 10.2887 10.2887 10.2944 10.2944 10.8254 10.8254 10.8297 10.8297 k = 0.3220 0.3222 0.3573 ( 6512 PWs) bands (ev): -19.3048 -19.3048 -19.3045 -19.3045 -17.0577 -17.0577 -17.0533 -17.0533 -16.7713 -16.7713 -16.7668 -16.7668 -16.6658 -16.6658 -16.6606 -16.6606 -7.2376 -7.2376 -7.2366 -7.2366 -5.5440 -5.5440 -5.5391 -5.5391 -4.4927 -4.4927 -4.4894 -4.4894 -4.3711 -4.3711 -4.3644 -4.3644 -2.0451 -2.0451 -2.0411 -2.0411 -1.8208 -1.8208 -1.8142 -1.8142 -1.5057 -1.5057 -1.5007 -1.5007 -0.9796 -0.9796 -0.9679 -0.9679 -0.8455 -0.8455 -0.8371 -0.8371 0.1189 0.1189 0.1247 0.1247 0.3758 0.3758 0.3835 0.3835 0.7657 0.7657 0.7678 0.7678 9.2743 9.2743 9.2772 9.2772 10.2955 10.2955 10.3016 10.3016 10.8315 10.8315 10.8365 10.8365 k = 0.3109 0.3111 0.3573 ( 6522 PWs) bands (ev): -19.3094 -19.3094 -19.3090 -19.3090 -17.0536 -17.0536 -17.0491 -17.0491 -16.7677 -16.7677 -16.7631 -16.7631 -16.6645 -16.6645 -16.6592 -16.6592 -7.2681 -7.2681 -7.2672 -7.2672 -5.5152 -5.5152 -5.5104 -5.5104 -4.5065 -4.5065 -4.5031 -4.5031 -4.3821 -4.3821 -4.3755 -4.3755 -2.0390 -2.0390 -2.0351 -2.0351 -1.8169 -1.8169 -1.8107 -1.8107 -1.4927 -1.4927 -1.4880 -1.4880 -0.9674 -0.9674 -0.9554 -0.9554 -0.8508 -0.8508 -0.8419 -0.8419 0.1201 0.1201 0.1258 0.1258 0.3804 0.3804 0.3880 0.3880 0.7731 0.7731 0.7749 0.7749 9.2019 9.2019 9.2044 9.2044 10.3041 10.3041 10.3105 10.3105 10.8373 10.8373 10.8431 10.8431 k = 0.2998 0.3000 0.3573 ( 6524 PWs) bands (ev): -19.3140 -19.3140 -19.3137 -19.3137 -17.0493 -17.0493 -17.0449 -17.0449 -16.7640 -16.7640 -16.7592 -16.7592 -16.6631 -16.6631 -16.6579 -16.6579 -7.2985 -7.2985 -7.2976 -7.2976 -5.4873 -5.4873 -5.4825 -5.4825 -4.5201 -4.5201 -4.5167 -4.5167 -4.3931 -4.3931 -4.3866 -4.3866 -2.0317 -2.0317 -2.0278 -2.0278 -1.8137 -1.8137 -1.8078 -1.8078 -1.4790 -1.4790 -1.4746 -1.4746 -0.9572 -0.9572 -0.9449 -0.9449 -0.8558 -0.8558 -0.8464 -0.8464 0.1227 0.1227 0.1285 0.1285 0.3857 0.3857 0.3932 0.3932 0.7795 0.7795 0.7812 0.7812 9.1294 9.1294 9.1317 9.1317 10.3143 10.3143 10.3211 10.3211 10.8423 10.8423 10.8492 10.8492 k = 0.2887 0.2889 0.3573 ( 6526 PWs) bands (ev): -19.3187 -19.3187 -19.3184 -19.3184 -17.0450 -17.0450 -17.0406 -17.0406 -16.7602 -16.7602 -16.7552 -16.7552 -16.6617 -16.6617 -16.6565 -16.6565 -7.3285 -7.3285 -7.3276 -7.3276 -5.4602 -5.4602 -5.4554 -5.4554 -4.5336 -4.5336 -4.5302 -4.5302 -4.4041 -4.4041 -4.3975 -4.3975 -2.0233 -2.0233 -2.0194 -2.0194 -1.8110 -1.8110 -1.8054 -1.8054 -1.4649 -1.4649 -1.4607 -1.4607 -0.9492 -0.9492 -0.9366 -0.9366 -0.8602 -0.8602 -0.8505 -0.8505 0.1268 0.1268 0.1326 0.1326 0.3917 0.3917 0.3992 0.3992 0.7850 0.7850 0.7865 0.7865 9.0574 9.0574 9.0595 9.0595 10.3259 10.3259 10.3330 10.3330 10.8465 10.8465 10.8544 10.8544 k = 0.2776 0.2778 0.3573 ( 6526 PWs) bands (ev): -19.3235 -19.3235 -19.3232 -19.3232 -17.0407 -17.0407 -17.0364 -17.0364 -16.7562 -16.7562 -16.7511 -16.7511 -16.6604 -16.6604 -16.6551 -16.6551 -7.3581 -7.3581 -7.3573 -7.3573 -5.4342 -5.4342 -5.4295 -5.4295 -4.5467 -4.5467 -4.5432 -4.5432 -4.4149 -4.4149 -4.4084 -4.4084 -2.0139 -2.0139 -2.0100 -2.0100 -1.8087 -1.8087 -1.8034 -1.8034 -1.4504 -1.4504 -1.4465 -1.4465 -0.9435 -0.9435 -0.9309 -0.9309 -0.8639 -0.8639 -0.8540 -0.8540 0.1324 0.1324 0.1384 0.1384 0.3983 0.3983 0.4059 0.4059 0.7896 0.7896 0.7910 0.7910 8.9862 8.9862 8.9880 8.9880 10.3386 10.3386 10.3462 10.3462 10.8494 10.8494 10.8584 10.8584 k = 0.2665 0.2667 0.3573 ( 6534 PWs) bands (ev): -19.3283 -19.3283 -19.3280 -19.3280 -17.0364 -17.0364 -17.0322 -17.0322 -16.7521 -16.7521 -16.7468 -16.7468 -16.6590 -16.6590 -16.6538 -16.6538 -7.3872 -7.3872 -7.3864 -7.3864 -5.4095 -5.4095 -5.4048 -5.4048 -4.5593 -4.5593 -4.5557 -4.5557 -4.4255 -4.4255 -4.4191 -4.4191 -2.0035 -2.0035 -1.9996 -1.9996 -1.8067 -1.8067 -1.8016 -1.8016 -1.4357 -1.4357 -1.4320 -1.4320 -0.9403 -0.9403 -0.9279 -0.9279 -0.8666 -0.8666 -0.8569 -0.8569 0.1394 0.1394 0.1457 0.1457 0.4055 0.4055 0.4132 0.4132 0.7933 0.7933 0.7944 0.7944 8.9159 8.9159 8.9175 8.9175 10.3525 10.3525 10.3604 10.3604 10.8507 10.8507 10.8607 10.8607 k = 0.2554 0.2556 0.3573 ( 6542 PWs) bands (ev): -19.3331 -19.3331 -19.3328 -19.3328 -17.0321 -17.0321 -17.0280 -17.0280 -16.7478 -16.7478 -16.7425 -16.7425 -16.6577 -16.6577 -16.6524 -16.6524 -7.4156 -7.4156 -7.4149 -7.4149 -5.3862 -5.3862 -5.3815 -5.3815 -4.5713 -4.5713 -4.5676 -4.5676 -4.4359 -4.4359 -4.4297 -4.4297 -1.9923 -1.9923 -1.9883 -1.9883 -1.8048 -1.8048 -1.7999 -1.7999 -1.4209 -1.4209 -1.4176 -1.4176 -0.9394 -0.9394 -0.9276 -0.9276 -0.8685 -0.8685 -0.8592 -0.8592 0.1479 0.1479 0.1544 0.1544 0.4133 0.4133 0.4211 0.4211 0.7961 0.7961 0.7970 0.7970 8.8470 8.8470 8.8484 8.8484 10.3673 10.3673 10.3756 10.3756 10.8502 10.8502 10.8611 10.8611 k = 0.2443 0.2444 0.3573 ( 6546 PWs) bands (ev): -19.3379 -19.3379 -19.3376 -19.3376 -17.0279 -17.0279 -17.0238 -17.0238 -16.7435 -16.7435 -16.7380 -16.7380 -16.6564 -16.6564 -16.6511 -16.6511 -7.4434 -7.4434 -7.4427 -7.4427 -5.3644 -5.3644 -5.3597 -5.3597 -4.5824 -4.5824 -4.5786 -4.5786 -4.4461 -4.4461 -4.4399 -4.4399 -1.9805 -1.9805 -1.9764 -1.9764 -1.8027 -1.8027 -1.7981 -1.7981 -1.4063 -1.4063 -1.4032 -1.4032 -0.9406 -0.9406 -0.9295 -0.9295 -0.8700 -0.8700 -0.8614 -0.8614 0.1577 0.1577 0.1645 0.1645 0.4215 0.4215 0.4296 0.4296 0.7979 0.7979 0.7987 0.7987 8.7795 8.7795 8.7807 8.7807 10.3828 10.3828 10.3915 10.3915 10.8476 10.8476 10.8591 10.8591 k = 0.2332 0.2333 0.3573 ( 6550 PWs) bands (ev): -19.3426 -19.3426 -19.3424 -19.3424 -17.0237 -17.0237 -17.0198 -17.0198 -16.7390 -16.7390 -16.7335 -16.7335 -16.6551 -16.6551 -16.6498 -16.6498 -7.4704 -7.4704 -7.4697 -7.4697 -5.3442 -5.3442 -5.3396 -5.3396 -4.5927 -4.5927 -4.5888 -4.5888 -4.4559 -4.4559 -4.4499 -4.4499 -1.9682 -1.9682 -1.9641 -1.9641 -1.8003 -1.8003 -1.7959 -1.7959 -1.3919 -1.3919 -1.3889 -1.3889 -0.9433 -0.9433 -0.9330 -0.9330 -0.8715 -0.8715 -0.8636 -0.8636 0.1686 0.1686 0.1758 0.1758 0.4303 0.4303 0.4385 0.4385 0.7988 0.7988 0.7995 0.7995 8.7137 8.7137 8.7148 8.7148 10.3990 10.3990 10.4080 10.4080 10.8428 10.8428 10.8545 10.8545 k = 0.2221 0.2222 0.3573 ( 6550 PWs) bands (ev): -19.3473 -19.3473 -19.3471 -19.3471 -17.0197 -17.0197 -17.0158 -17.0158 -16.7346 -16.7346 -16.7290 -16.7290 -16.6539 -16.6539 -16.6486 -16.6486 -7.4966 -7.4966 -7.4959 -7.4959 -5.3258 -5.3258 -5.3212 -5.3212 -4.6020 -4.6020 -4.5981 -4.5981 -4.4653 -4.4653 -4.4594 -4.4594 -1.9559 -1.9559 -1.9518 -1.9518 -1.7972 -1.7972 -1.7930 -1.7930 -1.3777 -1.3777 -1.3750 -1.3750 -0.9473 -0.9473 -0.9377 -0.9377 -0.8736 -0.8736 -0.8663 -0.8663 0.1806 0.1806 0.1881 0.1881 0.4394 0.4394 0.4479 0.4479 0.7989 0.7989 0.7994 0.7994 8.6498 8.6498 8.6508 8.6508 10.4157 10.4157 10.4250 10.4250 10.8358 10.8358 10.8473 10.8473 k = 0.2110 0.2111 0.3573 ( 6562 PWs) bands (ev): -19.3520 -19.3520 -19.3517 -19.3517 -17.0157 -17.0157 -17.0120 -17.0120 -16.7300 -16.7300 -16.7243 -16.7243 -16.6528 -16.6528 -16.6475 -16.6475 -7.5219 -7.5219 -7.5212 -7.5212 -5.3091 -5.3091 -5.3047 -5.3047 -4.6102 -4.6102 -4.6063 -4.6063 -4.4743 -4.4743 -4.4686 -4.4686 -1.9440 -1.9440 -1.9398 -1.9398 -1.7931 -1.7931 -1.7890 -1.7890 -1.3639 -1.3639 -1.3614 -1.3614 -0.9521 -0.9521 -0.9432 -0.9432 -0.8765 -0.8765 -0.8697 -0.8697 0.1935 0.1935 0.2013 0.2013 0.4490 0.4490 0.4577 0.4577 0.7980 0.7980 0.7986 0.7986 8.5880 8.5880 8.5888 8.5888 10.4326 10.4326 10.4421 10.4421 10.8264 10.8264 10.8376 10.8376 k = 0.1999 0.2000 0.3573 ( 6554 PWs) bands (ev): -19.3565 -19.3565 -19.3563 -19.3563 -17.0119 -17.0119 -17.0083 -17.0083 -16.7254 -16.7254 -16.7197 -16.7197 -16.6517 -16.6517 -16.6464 -16.6464 -7.5462 -7.5462 -7.5456 -7.5456 -5.2942 -5.2942 -5.2899 -5.2899 -4.6174 -4.6174 -4.6134 -4.6134 -4.4829 -4.4829 -4.4773 -4.4773 -1.9328 -1.9328 -1.9287 -1.9287 -1.7874 -1.7874 -1.7836 -1.7836 -1.3506 -1.3506 -1.3482 -1.3482 -0.9575 -0.9575 -0.9491 -0.9491 -0.8803 -0.8803 -0.8740 -0.8740 0.2070 0.2070 0.2152 0.2152 0.4588 0.4588 0.4679 0.4679 0.7964 0.7964 0.7971 0.7971 8.5285 8.5285 8.5292 8.5292 10.4496 10.4496 10.4592 10.4592 10.8150 10.8150 10.8256 10.8256 k = 0.1888 0.1889 0.3573 ( 6550 PWs) bands (ev): -19.3609 -19.3609 -19.3607 -19.3607 -17.0082 -17.0082 -17.0047 -17.0047 -16.7209 -16.7209 -16.7151 -16.7151 -16.6507 -16.6507 -16.6454 -16.6454 -7.5695 -7.5695 -7.5689 -7.5689 -5.2812 -5.2812 -5.2770 -5.2770 -4.6235 -4.6235 -4.6195 -4.6195 -4.4909 -4.4909 -4.4854 -4.4854 -1.9229 -1.9229 -1.9190 -1.9190 -1.7797 -1.7797 -1.7762 -1.7762 -1.3378 -1.3378 -1.3355 -1.3355 -0.9632 -0.9632 -0.9552 -0.9552 -0.8853 -0.8853 -0.8794 -0.8794 0.2211 0.2211 0.2295 0.2295 0.4690 0.4690 0.4784 0.4784 0.7939 0.7939 0.7948 0.7948 8.4713 8.4713 8.4719 8.4719 10.4664 10.4664 10.4760 10.4760 10.8018 10.8018 10.8116 10.8116 k = 0.1777 0.1778 0.3573 ( 6546 PWs) bands (ev): -19.3652 -19.3652 -19.3650 -19.3650 -17.0046 -17.0046 -17.0013 -17.0013 -16.7163 -16.7163 -16.7105 -16.7105 -16.6499 -16.6499 -16.6445 -16.6445 -7.5918 -7.5918 -7.5912 -7.5912 -5.2699 -5.2699 -5.2658 -5.2658 -4.6286 -4.6286 -4.6247 -4.6247 -4.4983 -4.4983 -4.4930 -4.4930 -1.9147 -1.9147 -1.9110 -1.9110 -1.7697 -1.7697 -1.7666 -1.7666 -1.3255 -1.3255 -1.3233 -1.3233 -0.9690 -0.9690 -0.9614 -0.9614 -0.8914 -0.8914 -0.8858 -0.8858 0.2354 0.2354 0.2442 0.2442 0.4794 0.4794 0.4890 0.4890 0.7908 0.7908 0.7919 0.7919 8.4166 8.4166 8.4171 8.4171 10.4827 10.4827 10.4923 10.4923 10.7872 10.7872 10.7961 10.7961 k = 0.1666 0.1667 0.3573 ( 6538 PWs) bands (ev): -19.3693 -19.3693 -19.3691 -19.3691 -17.0012 -17.0012 -16.9981 -16.9981 -16.7117 -16.7117 -16.7059 -16.7059 -16.6491 -16.6491 -16.6437 -16.6437 -7.6129 -7.6129 -7.6124 -7.6124 -5.2603 -5.2603 -5.2564 -5.2564 -4.6328 -4.6328 -4.6288 -4.6288 -4.5050 -4.5050 -4.5000 -4.5000 -1.9083 -1.9083 -1.9049 -1.9049 -1.7573 -1.7573 -1.7546 -1.7546 -1.3138 -1.3138 -1.3116 -1.3116 -0.9748 -0.9748 -0.9676 -0.9676 -0.8986 -0.8986 -0.8932 -0.8932 0.2499 0.2499 0.2589 0.2589 0.4900 0.4900 0.4999 0.4999 0.7870 0.7870 0.7884 0.7884 8.3646 8.3646 8.3651 8.3651 10.4982 10.4982 10.5075 10.5075 10.7719 10.7719 10.7796 10.7796 k = 0.1555 0.1556 0.3573 ( 6534 PWs) bands (ev): -19.3732 -19.3732 -19.3730 -19.3730 -16.9980 -16.9980 -16.9950 -16.9950 -16.7073 -16.7073 -16.7014 -16.7014 -16.6485 -16.6485 -16.6431 -16.6431 -7.6329 -7.6329 -7.6324 -7.6324 -5.2523 -5.2523 -5.2487 -5.2487 -4.6361 -4.6361 -4.6322 -4.6322 -4.5111 -4.5111 -4.5062 -4.5062 -1.9038 -1.9038 -1.9007 -1.9007 -1.7426 -1.7426 -1.7403 -1.7403 -1.3027 -1.3027 -1.3006 -1.3006 -0.9806 -0.9806 -0.9736 -0.9736 -0.9069 -0.9069 -0.9016 -0.9016 0.2643 0.2643 0.2736 0.2736 0.5006 0.5006 0.5108 0.5108 0.7827 0.7827 0.7843 0.7843 8.3154 8.3154 8.3158 8.3158 10.5126 10.5126 10.5216 10.5216 10.7563 10.7563 10.7628 10.7628 k = 0.1444 0.1444 0.3573 ( 6546 PWs) bands (ev): -19.3769 -19.3769 -19.3768 -19.3768 -16.9949 -16.9949 -16.9922 -16.9922 -16.7028 -16.7028 -16.6970 -16.6970 -16.6480 -16.6480 -16.6426 -16.6426 -7.6517 -7.6517 -7.6512 -7.6512 -5.2458 -5.2458 -5.2424 -5.2424 -4.6388 -4.6388 -4.6348 -4.6348 -4.5165 -4.5165 -4.5118 -4.5118 -1.9009 -1.9009 -1.8982 -1.8982 -1.7259 -1.7259 -1.7241 -1.7241 -1.2924 -1.2924 -1.2903 -1.2903 -0.9863 -0.9863 -0.9796 -0.9796 -0.9161 -0.9161 -0.9109 -0.9109 0.2786 0.2786 0.2881 0.2881 0.5114 0.5114 0.5217 0.5217 0.7778 0.7778 0.7797 0.7797 8.2690 8.2690 8.2694 8.2694 10.5253 10.5253 10.5339 10.5339 10.7411 10.7411 10.7464 10.7464 k = 0.1333 0.1333 0.3573 ( 6546 PWs) bands (ev): -19.3804 -19.3804 -19.3803 -19.3803 -16.9921 -16.9921 -16.9895 -16.9895 -16.6985 -16.6985 -16.6927 -16.6927 -16.6476 -16.6476 -16.6422 -16.6422 -7.6692 -7.6692 -7.6687 -7.6687 -5.2407 -5.2407 -5.2374 -5.2374 -4.6409 -4.6409 -4.6369 -4.6369 -4.5212 -4.5212 -4.5166 -4.5166 -1.8994 -1.8994 -1.8971 -1.8971 -1.7078 -1.7078 -1.7063 -1.7063 -1.2827 -1.2827 -1.2806 -1.2806 -0.9918 -0.9918 -0.9853 -0.9853 -0.9260 -0.9260 -0.9210 -0.9210 0.2925 0.2925 0.3021 0.3021 0.5221 0.5221 0.5325 0.5325 0.7725 0.7725 0.7747 0.7747 8.2257 8.2257 8.2260 8.2260 10.5359 10.5359 10.5442 10.5442 10.7269 10.7269 10.7311 10.7311 k = 0.1221 0.1222 0.3573 ( 6550 PWs) bands (ev): -19.3837 -19.3837 -19.3836 -19.3836 -16.9894 -16.9894 -16.9871 -16.9871 -16.6943 -16.6943 -16.6885 -16.6885 -16.6474 -16.6474 -16.6420 -16.6420 -7.6855 -7.6855 -7.6850 -7.6850 -5.2367 -5.2367 -5.2337 -5.2337 -4.6426 -4.6426 -4.6385 -4.6385 -4.5251 -4.5251 -4.5206 -4.5206 -1.8989 -1.8989 -1.8969 -1.8969 -1.6886 -1.6886 -1.6874 -1.6874 -1.2737 -1.2737 -1.2716 -1.2716 -0.9970 -0.9970 -0.9907 -0.9907 -0.9367 -0.9367 -0.9317 -0.9317 0.3058 0.3058 0.3156 0.3156 0.5327 0.5327 0.5433 0.5433 0.7668 0.7668 0.7693 0.7693 8.1855 8.1855 8.1858 8.1858 10.5437 10.5437 10.5521 10.5521 10.7142 10.7142 10.7180 10.7180 k = 0.1110 0.1111 0.3573 ( 6544 PWs) bands (ev): -19.3868 -19.3868 -19.3867 -19.3867 -16.9870 -16.9870 -16.9848 -16.9848 -16.6902 -16.6902 -16.6844 -16.6844 -16.6473 -16.6473 -16.6419 -16.6419 -7.7005 -7.7005 -7.7000 -7.7000 -5.2337 -5.2337 -5.2309 -5.2309 -4.6440 -4.6440 -4.6397 -4.6397 -4.5283 -4.5283 -4.5239 -4.5239 -1.8992 -1.8992 -1.8974 -1.8974 -1.6688 -1.6688 -1.6679 -1.6679 -1.2654 -1.2654 -1.2633 -1.2633 -1.0020 -1.0020 -0.9959 -0.9959 -0.9478 -0.9478 -0.9429 -0.9429 0.3186 0.3186 0.3284 0.3284 0.5431 0.5431 0.5538 0.5538 0.7609 0.7609 0.7637 0.7637 8.1485 8.1485 8.1487 8.1487 10.5482 10.5482 10.5574 10.5574 10.7032 10.7032 10.7081 10.7081 k = 0.0999 0.1000 0.3573 ( 6532 PWs) bands (ev): -19.3896 -19.3896 -19.3895 -19.3895 -16.9847 -16.9847 -16.9828 -16.9828 -16.6862 -16.6862 -16.6804 -16.6804 -16.6474 -16.6474 -16.6420 -16.6420 -7.7141 -7.7141 -7.7137 -7.7137 -5.2315 -5.2315 -5.2291 -5.2291 -4.6451 -4.6451 -4.6407 -4.6407 -4.5309 -4.5309 -4.5264 -4.5264 -1.9001 -1.9001 -1.8984 -1.8984 -1.6489 -1.6489 -1.6482 -1.6482 -1.2579 -1.2579 -1.2559 -1.2559 -1.0068 -1.0068 -1.0008 -1.0008 -0.9593 -0.9593 -0.9543 -0.9543 0.3305 0.3305 0.3404 0.3404 0.5533 0.5533 0.5639 0.5639 0.7547 0.7547 0.7578 0.7578 8.1147 8.1147 8.1149 8.1149 10.5492 10.5492 10.5598 10.5598 10.6946 10.6946 10.7015 10.7015 k = 0.0888 0.0889 0.3573 ( 6528 PWs) bands (ev): -19.3921 -19.3921 -19.3920 -19.3920 -16.9827 -16.9827 -16.9809 -16.9809 -16.6824 -16.6824 -16.6767 -16.6767 -16.6477 -16.6477 -16.6423 -16.6423 -7.7264 -7.7264 -7.7260 -7.7260 -5.2301 -5.2301 -5.2279 -5.2279 -4.6462 -4.6462 -4.6416 -4.6416 -4.5328 -4.5328 -4.5283 -4.5283 -1.9012 -1.9012 -1.8997 -1.8997 -1.6292 -1.6292 -1.6286 -1.6286 -1.2512 -1.2512 -1.2492 -1.2492 -1.0113 -1.0113 -1.0054 -1.0054 -0.9707 -0.9707 -0.9657 -0.9657 0.3416 0.3416 0.3514 0.3514 0.5632 0.5632 0.5737 0.5737 0.7485 0.7485 0.7518 0.7518 8.0843 8.0843 8.0845 8.0845 10.5472 10.5472 10.5592 10.5592 10.6889 10.6889 10.6978 10.6978 k = 0.0777 0.0778 0.3573 ( 6536 PWs) bands (ev): -19.3944 -19.3944 -19.3943 -19.3943 -16.9809 -16.9809 -16.9793 -16.9793 -16.6788 -16.6788 -16.6731 -16.6731 -16.6482 -16.6482 -16.6427 -16.6427 -7.7372 -7.7372 -7.7369 -7.7369 -5.2291 -5.2291 -5.2272 -5.2272 -4.6472 -4.6472 -4.6423 -4.6423 -4.5342 -4.5342 -4.5297 -4.5297 -1.9025 -1.9025 -1.9011 -1.9011 -1.6103 -1.6103 -1.6098 -1.6098 -1.2454 -1.2454 -1.2433 -1.2433 -1.0155 -1.0155 -1.0097 -1.0097 -0.9819 -0.9819 -0.9767 -0.9767 0.3516 0.3516 0.3614 0.3614 0.5726 0.5726 0.5829 0.5829 0.7422 0.7422 0.7457 0.7457 8.0573 8.0573 8.0575 8.0575 10.5429 10.5429 10.5562 10.5562 10.6860 10.6860 10.6963 10.6963 k = 0.0666 0.0667 0.3573 ( 6540 PWs) bands (ev): -19.3964 -19.3964 -19.3963 -19.3963 -16.9793 -16.9793 -16.9780 -16.9780 -16.6754 -16.6754 -16.6697 -16.6697 -16.6489 -16.6489 -16.6434 -16.6434 -7.7467 -7.7467 -7.7464 -7.7464 -5.2286 -5.2286 -5.2269 -5.2269 -4.6481 -4.6481 -4.6430 -4.6430 -4.5352 -4.5352 -4.5305 -4.5305 -1.9038 -1.9038 -1.9026 -1.9026 -1.5926 -1.5926 -1.5920 -1.5920 -1.2403 -1.2403 -1.2383 -1.2383 -1.0196 -1.0196 -1.0137 -1.0137 -0.9925 -0.9925 -0.9869 -0.9869 0.3606 0.3606 0.3703 0.3703 0.5815 0.5815 0.5915 0.5915 0.7362 0.7362 0.7398 0.7398 8.0338 8.0338 8.0340 8.0340 10.5373 10.5373 10.5516 10.5516 10.6850 10.6850 10.6964 10.6964 k = 0.0555 0.0556 0.3573 ( 6540 PWs) bands (ev): -19.3980 -19.3980 -19.3980 -19.3980 -16.9779 -16.9779 -16.9768 -16.9768 -16.6722 -16.6722 -16.6665 -16.6665 -16.6497 -16.6497 -16.6442 -16.6442 -7.7548 -7.7548 -7.7544 -7.7544 -5.2283 -5.2283 -5.2269 -5.2269 -4.6489 -4.6489 -4.6436 -4.6436 -4.5358 -4.5358 -4.5310 -4.5310 -1.9051 -1.9051 -1.9040 -1.9040 -1.5764 -1.5764 -1.5758 -1.5758 -1.2361 -1.2361 -1.2342 -1.2342 -1.0235 -1.0235 -1.0175 -1.0175 -1.0019 -1.0019 -0.9960 -0.9960 0.3684 0.3684 0.3779 0.3779 0.5897 0.5897 0.5993 0.5993 0.7304 0.7304 0.7341 0.7341 8.0138 8.0138 8.0140 8.0140 10.5314 10.5314 10.5462 10.5462 10.6854 10.6854 10.6973 10.6973 k = 0.0444 0.0444 0.3573 ( 6540 PWs) bands (ev): -19.3994 -19.3994 -19.3994 -19.3994 -16.9768 -16.9768 -16.9759 -16.9759 -16.6692 -16.6692 -16.6636 -16.6636 -16.6506 -16.6506 -16.6452 -16.6452 -7.7614 -7.7614 -7.7611 -7.7611 -5.2282 -5.2282 -5.2271 -5.2271 -4.6496 -4.6496 -4.6441 -4.6441 -4.5361 -4.5361 -4.5313 -4.5313 -1.9063 -1.9063 -1.9052 -1.9052 -1.5623 -1.5623 -1.5616 -1.5616 -1.2327 -1.2327 -1.2309 -1.2309 -1.0275 -1.0275 -1.0214 -1.0214 -1.0095 -1.0095 -1.0036 -1.0036 0.3748 0.3748 0.3843 0.3843 0.5971 0.5971 0.6061 0.6061 0.7252 0.7252 0.7288 0.7288 7.9974 7.9974 7.9975 7.9975 10.5257 10.5257 10.5408 10.5408 10.6864 10.6864 10.6986 10.6986 k = 0.0333 0.0333 0.3573 ( 6544 PWs) bands (ev): -19.4005 -19.4005 -19.4005 -19.4005 -16.9759 -16.9759 -16.9752 -16.9752 -16.6665 -16.6665 -16.6611 -16.6611 -16.6517 -16.6517 -16.6464 -16.6464 -7.7665 -7.7665 -7.7662 -7.7662 -5.2282 -5.2282 -5.2273 -5.2273 -4.6502 -4.6502 -4.6446 -4.6446 -4.5362 -4.5362 -4.5313 -4.5313 -1.9072 -1.9072 -1.9062 -1.9062 -1.5507 -1.5507 -1.5499 -1.5499 -1.2301 -1.2301 -1.2284 -1.2284 -1.0312 -1.0312 -1.0255 -1.0255 -1.0148 -1.0148 -1.0092 -1.0092 0.3800 0.3800 0.3893 0.3893 0.6034 0.6034 0.6117 0.6117 0.7208 0.7208 0.7241 0.7241 7.9846 7.9846 7.9847 7.9847 10.5208 10.5208 10.5361 10.5361 10.6876 10.6876 10.6999 10.6999 k = 0.0222 0.0222 0.3573 ( 6550 PWs) bands (ev): -19.4013 -19.4013 -19.4013 -19.4013 -16.9752 -16.9752 -16.9747 -16.9747 -16.6641 -16.6641 -16.6590 -16.6590 -16.6526 -16.6526 -16.6476 -16.6476 -7.7702 -7.7702 -7.7699 -7.7699 -5.2282 -5.2282 -5.2275 -5.2275 -4.6506 -4.6506 -4.6449 -4.6449 -4.5363 -4.5363 -4.5313 -4.5313 -1.9080 -1.9080 -1.9070 -1.9070 -1.5420 -1.5420 -1.5412 -1.5412 -1.2283 -1.2283 -1.2268 -1.2268 -1.0345 -1.0345 -1.0294 -1.0294 -1.0180 -1.0180 -1.0130 -1.0130 0.3837 0.3837 0.3929 0.3929 0.6083 0.6083 0.6159 0.6159 0.7175 0.7175 0.7203 0.7203 7.9755 7.9755 7.9755 7.9755 10.5171 10.5171 10.5325 10.5325 10.6886 10.6886 10.7009 10.7009 k = 0.0111 0.0111 0.3573 ( 6570 PWs) bands (ev): -19.4018 -19.4018 -19.4017 -19.4017 -16.9747 -16.9747 -16.9745 -16.9745 -16.6622 -16.6622 -16.6579 -16.6579 -16.6531 -16.6531 -16.6488 -16.6488 -7.7724 -7.7724 -7.7721 -7.7721 -5.2282 -5.2282 -5.2277 -5.2277 -4.6509 -4.6509 -4.6451 -4.6451 -4.5363 -4.5363 -4.5313 -4.5313 -1.9084 -1.9084 -1.9074 -1.9074 -1.5366 -1.5366 -1.5358 -1.5358 -1.2272 -1.2272 -1.2258 -1.2258 -1.0367 -1.0367 -1.0322 -1.0322 -1.0196 -1.0196 -1.0151 -1.0151 0.3859 0.3859 0.3951 0.3951 0.6114 0.6114 0.6185 0.6185 0.7155 0.7155 0.7178 0.7178 7.9700 7.9700 7.9700 7.9700 10.5148 10.5148 10.5303 10.5303 10.6893 10.6893 10.7016 10.7016 k = 0.0000 0.0000 0.3573 ( 6582 PWs) bands (ev): -19.4019 -19.4019 -19.4019 -19.4019 -16.9745 -16.9745 -16.9745 -16.9745 -16.6615 -16.6615 -16.6577 -16.6577 -16.6530 -16.6530 -16.6494 -16.6494 -7.7732 -7.7732 -7.7729 -7.7729 -5.2281 -5.2281 -5.2278 -5.2278 -4.6510 -4.6510 -4.6452 -4.6452 -4.5363 -4.5363 -4.5313 -4.5313 -1.9086 -1.9086 -1.9076 -1.9076 -1.5348 -1.5348 -1.5340 -1.5340 -1.2269 -1.2269 -1.2255 -1.2255 -1.0375 -1.0375 -1.0331 -1.0331 -1.0201 -1.0201 -1.0158 -1.0158 0.3866 0.3866 0.3958 0.3958 0.6125 0.6125 0.6194 0.6194 0.7148 0.7148 0.7169 0.7169 7.9681 7.9681 7.9682 7.9682 10.5140 10.5140 10.5295 10.5295 10.6896 10.6896 10.7018 10.7018 k = 0.0000 0.0000 0.3573 ( 6582 PWs) bands (ev): -19.4019 -19.4019 -19.4019 -19.4019 -16.9745 -16.9745 -16.9745 -16.9745 -16.6615 -16.6615 -16.6577 -16.6577 -16.6530 -16.6530 -16.6494 -16.6494 -7.7732 -7.7732 -7.7729 -7.7729 -5.2281 -5.2281 -5.2278 -5.2278 -4.6510 -4.6510 -4.6452 -4.6452 -4.5363 -4.5363 -4.5313 -4.5313 -1.9086 -1.9086 -1.9076 -1.9076 -1.5348 -1.5348 -1.5340 -1.5340 -1.2269 -1.2269 -1.2255 -1.2255 -1.0375 -1.0375 -1.0331 -1.0331 -1.0201 -1.0201 -1.0158 -1.0158 0.3866 0.3866 0.3958 0.3958 0.6125 0.6125 0.6194 0.6194 0.7148 0.7148 0.7169 0.7169 7.9681 7.9681 7.9682 7.9682 10.5140 10.5140 10.5295 10.5295 10.6896 10.6896 10.7018 10.7018 k = 0.0000 0.0000 0.3418 ( 6573 PWs) bands (ev): -19.4099 -19.4099 -19.3939 -19.3939 -16.9881 -16.9881 -16.9610 -16.9610 -16.6618 -16.6611 -16.6583 -16.6572 -16.6535 -16.6524 -16.6497 -16.6490 -7.8160 -7.8158 -7.7292 -7.7289 -5.2569 -5.2565 -5.2006 -5.2004 -4.6653 -4.6594 -4.6364 -4.6307 -4.5531 -4.5479 -4.5194 -4.5146 -1.9102 -1.9090 -1.9075 -1.9067 -1.5638 -1.5629 -1.5060 -1.5053 -1.2424 -1.2412 -1.2109 -1.2092 -1.0511 -1.0419 -1.0354 -1.0265 -1.0225 -1.0221 -1.0064 -1.0059 0.3640 0.3729 0.4094 0.4188 0.6058 0.6122 0.6127 0.6193 0.7060 0.7105 0.7301 0.7306 7.8822 7.8822 8.0556 8.0556 10.4752 10.4911 10.5511 10.5659 10.6842 10.6955 10.6970 10.7071 k = 0.0000 0.0000 0.3262 ( 6569 PWs) bands (ev): -19.4177 -19.4177 -19.3858 -19.3858 -17.0018 -17.0018 -16.9477 -16.9476 -16.6621 -16.6608 -16.6588 -16.6567 -16.6540 -16.6518 -16.6499 -16.6485 -7.8577 -7.8574 -7.6842 -7.6839 -5.2868 -5.2864 -5.1744 -5.1742 -4.6792 -4.6732 -4.6216 -4.6160 -4.5698 -4.5644 -4.5025 -4.4978 -1.9123 -1.9110 -1.9070 -1.9064 -1.5928 -1.5918 -1.4779 -1.4773 -1.2572 -1.2564 -1.1945 -1.1925 -1.0643 -1.0518 -1.0471 -1.0348 -1.0132 -1.0096 -0.9955 -0.9920 0.3416 0.3502 0.4320 0.4416 0.5928 0.5977 0.6077 0.6142 0.7047 0.7114 0.7491 0.7494 7.7979 7.7979 8.1442 8.1442 10.4352 10.4514 10.5855 10.5994 10.6790 10.6925 10.7022 10.7131 k = 0.0000 0.0000 0.3107 ( 6561 PWs) bands (ev): -19.4255 -19.4254 -19.3777 -19.3777 -17.0155 -17.0155 -16.9346 -16.9345 -16.6624 -16.6606 -16.6593 -16.6563 -16.6542 -16.6510 -16.6501 -16.6480 -7.8980 -7.8978 -7.6384 -7.6380 -5.3179 -5.3174 -5.1494 -5.1492 -4.6927 -4.6866 -4.6067 -4.6012 -4.5861 -4.5804 -4.4856 -4.4812 -1.9149 -1.9135 -1.9072 -1.9067 -1.6215 -1.6205 -1.4508 -1.4505 -1.2714 -1.2708 -1.1777 -1.1755 -1.0766 -1.0632 -1.0565 -1.0435 -1.0039 -0.9964 -0.9845 -0.9777 0.3196 0.3278 0.4539 0.4637 0.5753 0.5788 0.5999 0.6065 0.7091 0.7174 0.7699 0.7706 7.7157 7.7157 8.2338 8.2338 10.3950 10.4114 10.6164 10.6291 10.6737 10.6878 10.7101 10.7201 k = 0.0000 0.0000 0.2952 ( 6573 PWs) bands (ev): -19.4330 -19.4330 -19.3696 -19.3696 -17.0291 -17.0290 -16.9218 -16.9218 -16.6628 -16.6603 -16.6599 -16.6561 -16.6544 -16.6502 -16.6501 -16.6473 -7.9370 -7.9367 -7.5917 -7.5914 -5.3501 -5.3496 -5.1256 -5.1255 -4.7057 -4.6995 -4.6025 -4.5981 -4.5899 -4.5860 -4.4689 -4.4646 -1.9179 -1.9163 -1.9079 -1.9076 -1.6496 -1.6486 -1.4255 -1.4254 -1.2846 -1.2844 -1.1608 -1.1583 -1.0877 -1.0744 -1.0644 -1.0517 -0.9945 -0.9842 -0.9727 -0.9633 0.2980 0.3059 0.4740 0.4836 0.5566 0.5588 0.5909 0.5976 0.7170 0.7261 0.7917 0.7925 7.6357 7.6357 8.3239 8.3239 10.3552 10.3717 10.6433 10.6543 10.6677 10.6827 10.7192 10.7279 k = 0.0000 0.0000 0.2796 ( 6569 PWs) bands (ev): -19.4403 -19.4403 -19.3617 -19.3616 -17.0425 -17.0425 -16.9095 -16.9094 -16.6631 -16.6604 -16.6600 -16.6560 -16.6542 -16.6503 -16.6492 -16.6465 -7.9744 -7.9742 -7.5445 -7.5441 -5.3833 -5.3828 -5.1032 -5.1031 -4.7182 -4.7119 -4.6182 -4.6127 -4.5758 -4.5710 -4.4524 -4.4484 -1.9212 -1.9196 -1.9092 -1.9091 -1.6771 -1.6760 -1.4033 -1.4027 -1.2968 -1.2965 -1.1438 -1.1410 -1.0970 -1.0844 -1.0714 -1.0592 -0.9852 -0.9731 -0.9600 -0.9492 0.2770 0.2846 0.4875 0.4951 0.5437 0.5443 0.5816 0.5882 0.7266 0.7362 0.8137 0.8145 7.5581 7.5581 8.4142 8.4142 10.3164 10.3330 10.6603 10.6655 10.6753 10.6770 10.7291 10.7362 k = 0.0000 0.0000 0.2641 ( 6565 PWs) bands (ev): -19.4474 -19.4474 -19.3538 -19.3538 -17.0556 -17.0556 -16.8975 -16.8975 -16.6634 -16.6609 -16.6598 -16.6561 -16.6539 -16.6503 -16.6481 -16.6457 -8.0103 -8.0101 -7.4967 -7.4963 -5.4175 -5.4170 -5.0820 -5.0819 -4.7300 -4.7237 -4.6335 -4.6278 -4.5607 -4.5561 -4.4362 -4.4324 -1.9249 -1.9232 -1.9112 -1.9111 -1.7037 -1.7027 -1.3852 -1.3837 -1.3076 -1.3067 -1.1270 -1.1236 -1.1039 -1.0925 -1.0770 -1.0658 -0.9760 -0.9629 -0.9467 -0.9354 0.2566 0.2638 0.4834 0.4863 0.5453 0.5507 0.5724 0.5786 0.7371 0.7470 0.8354 0.8362 7.4833 7.4833 8.5043 8.5043 10.2793 10.2958 10.6512 10.6672 10.6862 10.6925 10.7388 10.7446 k = 0.0000 0.0000 0.2486 ( 6547 PWs) bands (ev): -19.4542 -19.4542 -19.3461 -19.3461 -17.0685 -17.0685 -16.8861 -16.8860 -16.6638 -16.6614 -16.6596 -16.6562 -16.6535 -16.6503 -16.6470 -16.6447 -8.0446 -8.0444 -7.4486 -7.4482 -5.4526 -5.4520 -5.0620 -5.0620 -4.7413 -4.7349 -4.6484 -4.6425 -4.5458 -4.5413 -4.4204 -4.4168 -1.9288 -1.9269 -1.9138 -1.9136 -1.7294 -1.7283 -1.3728 -1.3704 -1.3157 -1.3143 -1.1124 -1.1063 -1.1060 -1.0988 -1.0806 -1.0709 -0.9669 -0.9533 -0.9334 -0.9219 0.2369 0.2438 0.4645 0.4656 0.5609 0.5614 0.5693 0.5705 0.7480 0.7581 0.8566 0.8574 7.4114 7.4114 8.5938 8.5938 10.2443 10.2607 10.6395 10.6568 10.7018 10.7071 10.7471 10.7522 k = 0.0000 0.0000 0.2330 ( 6555 PWs) bands (ev): -19.4608 -19.4608 -19.3386 -19.3386 -17.0810 -17.0810 -16.8752 -16.8751 -16.6641 -16.6619 -16.6593 -16.6564 -16.6531 -16.6502 -16.6457 -16.6437 -8.0772 -8.0770 -7.4003 -7.3999 -5.4884 -5.4878 -5.0434 -5.0433 -4.7518 -4.7454 -4.6627 -4.6567 -4.5310 -4.5268 -4.4051 -4.4017 -1.9328 -1.9309 -1.9169 -1.9165 -1.7540 -1.7529 -1.3677 -1.3646 -1.3200 -1.3184 -1.1112 -1.1038 -1.0927 -1.0894 -1.0809 -1.0734 -0.9582 -0.9443 -0.9201 -0.9088 0.2179 0.2245 0.4411 0.4416 0.5536 0.5600 0.5807 0.5899 0.7589 0.7692 0.8770 0.8778 7.3426 7.3426 8.6822 8.6823 10.2120 10.2282 10.6243 10.6428 10.7153 10.7201 10.7534 10.7586 k = 0.0000 0.0000 0.2175 ( 6565 PWs) bands (ev): -19.4670 -19.4670 -19.3313 -19.3313 -17.0931 -17.0931 -16.8650 -16.8649 -16.6644 -16.6624 -16.6592 -16.6565 -16.6527 -16.6502 -16.6444 -16.6425 -8.1080 -8.1078 -7.3520 -7.3517 -5.5248 -5.5241 -5.0260 -5.0259 -4.7617 -4.7553 -4.6764 -4.6704 -4.5166 -4.5126 -4.3903 -4.3872 -1.9370 -1.9349 -1.9205 -1.9199 -1.7774 -1.7763 -1.3690 -1.3660 -1.3211 -1.3203 -1.1115 -1.1081 -1.0793 -1.0783 -1.0716 -1.0701 -0.9497 -0.9358 -0.9071 -0.8961 0.1998 0.2060 0.4166 0.4169 0.5452 0.5513 0.6011 0.6105 0.7698 0.7801 0.8966 0.8973 7.2771 7.2771 8.7689 8.7690 10.1830 10.1990 10.6052 10.6245 10.7264 10.7320 10.7577 10.7642 k = 0.0000 0.0000 0.2020 ( 6549 PWs) bands (ev): -19.4729 -19.4729 -19.3243 -19.3243 -17.1046 -17.1046 -16.8553 -16.8552 -16.6647 -16.6628 -16.6590 -16.6566 -16.6523 -16.6501 -16.6430 -16.6413 -8.1369 -8.1368 -7.3040 -7.3036 -5.5616 -5.5609 -5.0098 -5.0098 -4.7709 -4.7644 -4.6895 -4.6835 -4.5026 -4.4987 -4.3762 -4.3733 -1.9411 -1.9390 -1.9243 -1.9236 -1.7996 -1.7984 -1.3739 -1.3714 -1.3224 -1.3221 -1.1124 -1.1123 -1.0707 -1.0698 -1.0572 -1.0555 -0.9416 -0.9279 -0.8943 -0.8838 0.1826 0.1883 0.3920 0.3923 0.5373 0.5429 0.6215 0.6310 0.7803 0.7906 0.9152 0.9159 7.2152 7.2152 8.8534 8.8535 10.1579 10.1735 10.5817 10.6015 10.7345 10.7417 10.7613 10.7699 k = 0.0000 0.0000 0.1864 ( 6545 PWs) bands (ev): -19.4784 -19.4784 -19.3176 -19.3176 -17.1156 -17.1156 -16.8464 -16.8463 -16.6650 -16.6633 -16.6588 -16.6567 -16.6519 -16.6499 -16.6415 -16.6400 -8.1640 -8.1639 -7.2565 -7.2561 -5.5986 -5.5980 -4.9949 -4.9948 -4.7793 -4.7729 -4.7020 -4.6959 -4.4891 -4.4855 -4.3628 -4.3601 -1.9452 -1.9430 -1.9285 -1.9276 -1.8204 -1.8193 -1.3802 -1.3782 -1.3262 -1.3249 -1.1164 -1.1144 -1.0600 -1.0580 -1.0420 -1.0396 -0.9339 -0.9204 -0.8819 -0.8720 0.1663 0.1717 0.3678 0.3681 0.5298 0.5351 0.6414 0.6509 0.7904 0.8005 0.9327 0.9334 7.1570 7.1570 8.9348 8.9350 10.1372 10.1524 10.5544 10.5740 10.7385 10.7463 10.7677 10.7773 k = 0.0000 0.0000 0.1709 ( 6545 PWs) bands (ev): -19.4836 -19.4836 -19.3113 -19.3113 -17.1260 -17.1260 -16.8381 -16.8380 -16.6653 -16.6637 -16.6586 -16.6568 -16.6516 -16.6498 -16.6400 -16.6386 -8.1891 -8.1890 -7.2097 -7.2093 -5.6356 -5.6350 -4.9812 -4.9811 -4.7869 -4.7806 -4.7137 -4.7076 -4.4762 -4.4728 -4.3502 -4.3477 -1.9492 -1.9469 -1.9328 -1.9317 -1.8398 -1.8387 -1.3867 -1.3851 -1.3319 -1.3298 -1.1201 -1.1172 -1.0464 -1.0436 -1.0268 -1.0245 -0.9266 -0.9135 -0.8699 -0.8607 0.1510 0.1560 0.3444 0.3446 0.5229 0.5278 0.6605 0.6699 0.7999 0.8099 0.9491 0.9497 7.1027 7.1027 9.0123 9.0126 10.1217 10.1364 10.5242 10.5432 10.7384 10.7453 10.7737 10.7770 k = 0.0000 0.0000 0.1554 ( 6557 PWs) bands (ev): -19.4884 -19.4884 -19.3054 -19.3054 -17.1357 -17.1357 -16.8306 -16.8305 -16.6655 -16.6641 -16.6585 -16.6569 -16.6512 -16.6497 -16.6385 -16.6372 -8.2122 -8.2121 -7.1640 -7.1636 -5.6723 -5.6717 -4.9687 -4.9686 -4.7937 -4.7875 -4.7246 -4.7186 -4.4640 -4.4609 -4.3385 -4.3361 -1.9529 -1.9505 -1.9372 -1.9360 -1.8578 -1.8567 -1.3929 -1.3916 -1.3390 -1.3364 -1.1236 -1.1203 -1.0312 -1.0279 -1.0122 -1.0101 -0.9198 -0.9073 -0.8584 -0.8499 0.1368 0.1413 0.3219 0.3221 0.5165 0.5210 0.6786 0.6879 0.8088 0.8186 0.9643 0.9648 7.0525 7.0525 9.0851 9.0855 10.1120 10.1262 10.4925 10.5106 10.7348 10.7414 10.7501 10.7504 k = 0.0000 0.0000 0.1398 ( 6553 PWs) bands (ev): -19.4928 -19.4928 -19.2999 -19.2999 -17.1446 -17.1446 -16.8238 -16.8237 -16.6657 -16.6645 -16.6583 -16.6570 -16.6509 -16.6496 -16.6369 -16.6358 -8.2333 -8.2332 -7.1198 -7.1194 -5.7083 -5.7077 -4.9574 -4.9573 -4.7997 -4.7938 -4.7347 -4.7289 -4.4526 -4.4498 -4.3276 -4.3255 -1.9564 -1.9539 -1.9416 -1.9402 -1.8743 -1.8733 -1.3984 -1.3974 -1.3470 -1.3442 -1.1266 -1.1233 -1.0159 -1.0118 -0.9979 -0.9965 -0.9134 -0.9016 -0.8474 -0.8397 0.1237 0.1278 0.3006 0.3008 0.5107 0.5148 0.6957 0.7047 0.8170 0.8265 0.9782 0.9787 7.0065 7.0065 9.1520 9.1526 10.1088 10.1224 10.4607 10.4776 10.7192 10.7224 10.7341 10.7366 k = 0.0000 0.0000 0.1243 ( 6541 PWs) bands (ev): -19.4967 -19.4967 -19.2949 -19.2949 -17.1528 -17.1528 -16.8177 -16.8176 -16.6659 -16.6648 -16.6582 -16.6571 -16.6506 -16.6495 -16.6354 -16.6344 -8.2522 -8.2521 -7.0775 -7.0771 -5.7432 -5.7426 -4.9474 -4.9473 -4.8050 -4.7992 -4.7439 -4.7383 -4.4421 -4.4395 -4.3177 -4.3158 -1.9596 -1.9569 -1.9459 -1.9443 -1.8894 -1.8883 -1.4032 -1.4025 -1.3555 -1.3525 -1.1293 -1.1262 -1.0013 -0.9963 -0.9841 -0.9838 -0.9075 -0.8966 -0.8370 -0.8302 0.1117 0.1154 0.2808 0.2809 0.5056 0.5092 0.7116 0.7203 0.8244 0.8335 0.9908 0.9912 6.9649 6.9649 9.2122 9.2129 10.1128 10.1257 10.4300 10.4458 10.6923 10.6941 10.7280 10.7307 k = 0.0000 0.0000 0.1087 ( 6545 PWs) bands (ev): -19.5002 -19.5002 -19.2904 -19.2904 -17.1601 -17.1601 -16.8124 -16.8123 -16.6661 -16.6651 -16.6581 -16.6571 -16.6504 -16.6494 -16.6339 -16.6331 -8.2690 -8.2690 -7.0376 -7.0372 -5.7765 -5.7759 -4.9385 -4.9384 -4.8094 -4.8040 -4.7522 -4.7469 -4.4325 -4.4303 -4.3089 -4.3072 -1.9623 -1.9595 -1.9500 -1.9481 -1.9029 -1.9019 -1.4071 -1.4067 -1.3640 -1.3610 -1.1316 -1.1287 -0.9883 -0.9823 -0.9717 -0.9707 -0.9021 -0.8922 -0.8273 -0.8214 0.1011 0.1043 0.2626 0.2627 0.5010 0.5042 0.7262 0.7343 0.8310 0.8395 1.0020 1.0024 6.9279 6.9279 9.2648 9.2657 10.1243 10.1365 10.4014 10.4161 10.6631 10.6642 10.7224 10.7247 k = 0.0000 0.0000 0.0932 ( 6533 PWs) bands (ev): -19.5033 -19.5033 -19.2864 -19.2864 -17.1665 -17.1665 -16.8079 -16.8077 -16.6662 -16.6654 -16.6580 -16.6572 -16.6501 -16.6493 -16.6326 -16.6319 -8.2837 -8.2836 -7.0007 -7.0003 -5.8076 -5.8070 -4.9308 -4.9307 -4.8130 -4.8080 -4.7595 -4.7546 -4.4241 -4.4221 -4.3011 -4.2997 -1.9646 -1.9616 -1.9537 -1.9516 -1.9149 -1.9140 -1.4101 -1.4099 -1.3723 -1.3694 -1.1335 -1.1310 -0.9771 -0.9706 -0.9599 -0.9580 -0.8972 -0.8885 -0.8184 -0.8134 0.0917 0.0944 0.2463 0.2464 0.4971 0.4998 0.7393 0.7468 0.8367 0.8446 1.0118 1.0121 6.8955 6.8955 9.3094 9.3104 10.1433 10.1549 10.3757 10.3893 10.6316 10.6322 10.7170 10.7190 k = 0.0000 0.0000 0.0777 ( 6541 PWs) bands (ev): -19.5059 -19.5059 -19.2830 -19.2830 -17.1720 -17.1720 -16.8040 -16.8039 -16.6664 -16.6657 -16.6579 -16.6572 -16.6499 -16.6493 -16.6314 -16.6308 -8.2961 -8.2961 -6.9675 -6.9672 -5.8358 -5.8353 -4.9243 -4.9243 -4.8159 -4.8115 -4.7658 -4.7614 -4.4167 -4.4151 -4.2944 -4.2932 -1.9663 -1.9632 -1.9570 -1.9546 -1.9254 -1.9245 -1.4122 -1.4121 -1.3802 -1.3775 -1.1351 -1.1329 -0.9676 -0.9615 -0.9486 -0.9465 -0.8928 -0.8854 -0.8106 -0.8064 0.0836 0.0859 0.2321 0.2322 0.4938 0.4961 0.7508 0.7576 0.8417 0.8487 1.0201 1.0204 6.8679 6.8679 9.3457 9.3467 10.1693 10.1805 10.3535 10.3664 10.5975 10.5976 10.7121 10.7137 k = 0.0000 0.0000 0.0621 ( 6549 PWs) bands (ev): -19.5080 -19.5080 -19.2802 -19.2802 -17.1766 -17.1766 -16.8009 -16.8008 -16.6664 -16.6659 -16.6578 -16.6573 -16.6497 -16.6492 -16.6303 -16.6298 -8.3064 -8.3063 -6.9388 -6.9386 -5.8604 -5.8601 -4.9190 -4.9190 -4.8181 -4.8143 -4.7710 -4.7672 -4.4106 -4.4093 -4.2889 -4.2879 -1.9675 -1.9641 -1.9598 -1.9571 -1.9344 -1.9337 -1.4135 -1.4131 -1.3874 -1.3850 -1.1363 -1.1346 -0.9599 -0.9546 -0.9387 -0.9366 -0.8890 -0.8831 -0.8038 -0.8006 0.0770 0.0789 0.2201 0.2202 0.4911 0.4929 0.7607 0.7665 0.8458 0.8518 1.0270 1.0272 6.8452 6.8452 9.3740 9.3750 10.2009 10.2121 10.3355 10.3480 10.5605 10.5606 10.7078 10.7091 k = 0.0000 0.0000 0.0466 ( 6565 PWs) bands (ev): -19.5097 -19.5097 -19.2780 -19.2780 -17.1802 -17.1802 -16.7985 -16.7984 -16.6665 -16.6661 -16.6577 -16.6573 -16.6496 -16.6492 -16.6294 -16.6291 -8.3143 -8.3143 -6.9154 -6.9152 -5.8807 -5.8804 -4.9149 -4.9149 -4.8195 -4.8165 -4.7749 -4.7719 -4.4058 -4.4047 -4.2845 -4.2838 -1.9682 -1.9647 -1.9618 -1.9588 -1.9419 -1.9413 -1.4137 -1.4131 -1.3940 -1.3917 -1.1372 -1.1359 -0.9537 -0.9496 -0.9305 -0.9287 -0.8858 -0.8814 -0.7983 -0.7959 0.0718 0.0732 0.2106 0.2107 0.4891 0.4904 0.7687 0.7734 0.8492 0.8540 1.0324 1.0325 6.8274 6.8274 9.3950 9.3959 10.2353 10.2471 10.3233 10.3360 10.5208 10.5211 10.7044 10.7053 k = 0.0000 0.0000 0.0311 ( 6565 PWs) bands (ev): -19.5109 -19.5109 -19.2764 -19.2764 -17.1827 -17.1827 -16.7967 -16.7967 -16.6665 -16.6662 -16.6576 -16.6574 -16.6494 -16.6492 -16.6288 -16.6285 -8.3200 -8.3200 -6.8979 -6.8978 -5.8958 -5.8956 -4.9119 -4.9119 -4.8203 -4.8182 -4.7776 -4.7755 -4.4022 -4.4015 -4.2814 -4.2809 -1.9683 -1.9655 -1.9623 -1.9597 -1.9478 -1.9475 -1.4130 -1.4121 -1.3997 -1.3977 -1.1378 -1.1369 -0.9492 -0.9463 -0.9244 -0.9231 -0.8832 -0.8803 -0.7942 -0.7926 0.0682 0.0691 0.2037 0.2038 0.4877 0.4886 0.7749 0.7781 0.8518 0.8551 1.0362 1.0363 6.8147 6.8147 9.4093 9.4100 10.2661 10.2776 10.3234 10.3356 10.4791 10.4793 10.7019 10.7025 k = 0.0000 0.0000 0.0155 ( 6569 PWs) bands (ev): -19.5116 -19.5116 -19.2754 -19.2754 -17.1843 -17.1843 -16.7957 -16.7957 -16.6665 -16.6664 -16.6575 -16.6574 -16.6493 -16.6492 -16.6283 -16.6282 -8.3235 -8.3234 -6.8872 -6.8871 -5.9052 -5.9051 -4.9102 -4.9102 -4.8206 -4.8195 -4.7790 -4.7779 -4.4000 -4.3996 -4.2794 -4.2792 -1.9681 -1.9666 -1.9613 -1.9598 -1.9521 -1.9521 -1.4112 -1.4100 -1.4044 -1.4027 -1.1380 -1.1376 -0.9461 -0.9446 -0.9205 -0.9198 -0.8814 -0.8799 -0.7915 -0.7907 0.0661 0.0665 0.1996 0.1996 0.4869 0.4874 0.7790 0.7806 0.8538 0.8555 1.0386 1.0386 6.8071 6.8071 9.4177 9.4181 10.2821 10.2871 10.3504 10.3563 10.4360 10.4364 10.7004 10.7007 k = 0.0000 0.0000 0.0000 ( 6577 PWs) bands (ev): -19.5119 -19.5119 -19.2751 -19.2751 -17.1848 -17.1848 -16.7953 -16.7953 -16.6664 -16.6664 -16.6575 -16.6575 -16.6493 -16.6493 -16.6282 -16.6282 -8.3246 -8.3246 -6.8835 -6.8835 -5.9083 -5.9083 -4.9096 -4.9096 -4.8203 -4.8203 -4.7791 -4.7791 -4.3991 -4.3991 -4.2787 -4.2787 -1.9675 -1.9675 -1.9600 -1.9600 -1.9539 -1.9539 -1.4085 -1.4085 -1.4067 -1.4067 -1.1379 -1.1379 -0.9446 -0.9446 -0.9189 -0.9189 -0.8803 -0.8803 -0.7904 -0.7904 0.0655 0.0655 0.1982 0.1982 0.4868 0.4868 0.7809 0.7809 0.8550 0.8550 1.0394 1.0394 6.8045 6.8045 9.4206 9.4206 10.2864 10.2864 10.3876 10.3876 10.3981 10.3981 10.7000 10.7000 k = 0.0000 0.0000 0.0000 ( 6577 PWs) bands (ev): -19.5119 -19.5119 -19.2751 -19.2751 -17.1848 -17.1848 -16.7953 -16.7953 -16.6664 -16.6664 -16.6575 -16.6575 -16.6493 -16.6493 -16.6282 -16.6282 -8.3246 -8.3246 -6.8835 -6.8835 -5.9083 -5.9083 -4.9096 -4.9096 -4.8203 -4.8203 -4.7791 -4.7791 -4.3991 -4.3991 -4.2787 -4.2787 -1.9675 -1.9675 -1.9600 -1.9600 -1.9539 -1.9539 -1.4085 -1.4085 -1.4067 -1.4067 -1.1379 -1.1379 -0.9446 -0.9446 -0.9189 -0.9189 -0.8803 -0.8803 -0.7904 -0.7904 0.0655 0.0655 0.1982 0.1982 0.4868 0.4868 0.7809 0.7809 0.8550 0.8550 1.0394 1.0394 6.8045 6.8045 9.4206 9.4206 10.2864 10.2864 10.3876 10.3876 10.3981 10.3981 10.7000 10.7000 k =-0.0111 0.0111-0.0000 ( 6565 PWs) bands (ev): -19.5116 -19.5116 -19.2751 -19.2751 -17.1848 -17.1845 -16.7954 -16.7954 -16.6666 -16.6664 -16.6579 -16.6575 -16.6497 -16.6497 -16.6282 -16.6281 -8.3234 -8.3234 -6.8835 -6.8833 -5.9086 -5.9080 -4.9093 -4.9087 -4.8200 -4.8194 -4.7798 -4.7798 -4.3996 -4.3992 -4.2787 -4.2786 -1.9820 -1.9776 -1.9573 -1.9567 -1.9456 -1.9433 -1.4086 -1.4084 -1.4070 -1.4062 -1.1380 -1.1377 -0.9449 -0.9447 -0.9194 -0.9188 -0.8809 -0.8803 -0.7914 -0.7912 0.0656 0.0660 0.1983 0.1985 0.4861 0.4865 0.7804 0.7805 0.8544 0.8545 1.0387 1.0387 6.8071 6.8071 9.4209 9.4209 10.2871 10.2880 10.3867 10.3868 10.3978 10.3986 10.7005 10.7010 k =-0.0222 0.0222-0.0000 ( 6573 PWs) bands (ev): -19.5108 -19.5108 -19.2751 -19.2750 -17.1847 -17.1841 -16.7955 -16.7955 -16.6668 -16.6665 -16.6587 -16.6579 -16.6510 -16.6510 -16.6283 -16.6281 -8.3199 -8.3199 -6.8834 -6.8831 -5.9087 -5.9075 -4.9079 -4.9066 -4.8186 -4.8173 -4.7820 -4.7819 -4.4008 -4.3998 -4.2785 -4.2785 -1.9984 -1.9940 -1.9564 -1.9550 -1.9304 -1.9276 -1.4088 -1.4086 -1.4071 -1.4055 -1.1379 -1.1373 -0.9456 -0.9453 -0.9202 -0.9191 -0.8822 -0.8810 -0.7943 -0.7940 0.0663 0.0671 0.1989 0.1992 0.4842 0.4851 0.7790 0.7791 0.8528 0.8530 1.0368 1.0368 6.8148 6.8148 9.4217 9.4217 10.2902 10.2918 10.3840 10.3842 10.3980 10.3995 10.7025 10.7034 k =-0.0333 0.0333-0.0000 ( 6573 PWs) bands (ev): -19.5095 -19.5095 -19.2750 -19.2750 -17.1844 -17.1835 -16.7957 -16.7957 -16.6671 -16.6667 -16.6600 -16.6590 -16.6532 -16.6531 -16.6284 -16.6281 -8.3141 -8.3141 -6.8832 -6.8827 -5.9087 -5.9069 -4.9053 -4.9034 -4.8161 -4.8141 -4.7855 -4.7854 -4.4024 -4.4011 -4.2783 -4.2783 -2.0151 -2.0105 -1.9555 -1.9528 -1.9147 -1.9119 -1.4090 -1.4089 -1.4071 -1.4045 -1.1378 -1.1368 -0.9469 -0.9464 -0.9214 -0.9198 -0.8841 -0.8824 -0.7990 -0.7984 0.0676 0.0687 0.2000 0.2004 0.4813 0.4825 0.7766 0.7768 0.8502 0.8504 1.0337 1.0337 6.8276 6.8276 9.4231 9.4232 10.2955 10.2980 10.3797 10.3800 10.3985 10.4009 10.7056 10.7069 k =-0.0444 0.0444-0.0000 ( 6561 PWs) bands (ev): -19.5076 -19.5076 -19.2750 -19.2749 -17.1839 -17.1827 -16.7959 -16.7959 -16.6676 -16.6669 -16.6620 -16.6611 -16.6558 -16.6553 -16.6285 -16.6281 -8.3059 -8.3059 -6.8829 -6.8822 -5.9085 -5.9063 -4.9016 -4.8990 -4.8126 -4.8099 -4.7904 -4.7902 -4.4046 -4.4028 -4.2780 -4.2779 -2.0316 -2.0269 -1.9540 -1.9502 -1.8994 -1.8967 -1.4093 -1.4093 -1.4069 -1.4034 -1.1376 -1.1364 -0.9487 -0.9481 -0.9230 -0.9207 -0.8867 -0.8843 -0.8051 -0.8044 0.0695 0.0709 0.2015 0.2020 0.4773 0.4790 0.7734 0.7736 0.8466 0.8468 1.0294 1.0294 6.8455 6.8455 9.4251 9.4252 10.3029 10.3062 10.3741 10.3744 10.3995 10.4027 10.7096 10.7113 k =-0.0556 0.0555 0.0000 ( 6561 PWs) bands (ev): -19.5053 -19.5053 -19.2749 -19.2748 -17.1832 -17.1818 -16.7962 -16.7962 -16.6683 -16.6673 -16.6650 -16.6647 -16.6585 -16.6574 -16.6286 -16.6282 -8.2955 -8.2954 -6.8824 -6.8816 -5.9084 -5.9055 -4.8967 -4.8935 -4.8087 -4.8053 -4.7960 -4.7957 -4.4073 -4.4050 -4.2776 -4.2775 -2.0479 -2.0431 -1.9520 -1.9471 -1.8847 -1.8822 -1.4096 -1.4096 -1.4065 -1.4021 -1.1378 -1.1362 -0.9512 -0.9504 -0.9250 -0.9221 -0.8900 -0.8869 -0.8125 -0.8115 0.0720 0.0737 0.2034 0.2041 0.4722 0.4744 0.7692 0.7695 0.8419 0.8422 1.0238 1.0238 6.8683 6.8683 9.4277 9.4278 10.3123 10.3165 10.3674 10.3678 10.4011 10.4051 10.7140 10.7160 k =-0.0667 0.0666-0.0000 ( 6557 PWs) bands (ev): -19.5024 -19.5024 -19.2748 -19.2747 -17.1823 -17.1806 -16.7966 -16.7966 -16.6707 -16.6697 -16.6679 -16.6677 -16.6609 -16.6593 -16.6288 -16.6283 -8.2827 -8.2827 -6.8819 -6.8809 -5.9081 -5.9047 -4.8907 -4.8869 -4.8087 -4.8068 -4.7976 -4.7958 -4.4104 -4.4077 -4.2771 -4.2770 -2.0639 -2.0589 -1.9495 -1.9436 -1.8707 -1.8684 -1.4099 -1.4098 -1.4059 -1.4007 -1.1384 -1.1366 -0.9545 -0.9534 -0.9275 -0.9239 -0.8940 -0.8901 -0.8205 -0.8193 0.0751 0.0772 0.2058 0.2067 0.4663 0.4689 0.7643 0.7645 0.8362 0.8365 1.0171 1.0171 6.8961 6.8961 9.4309 9.4310 10.3234 10.3284 10.3599 10.3604 10.4035 10.4083 10.7183 10.7205 k =-0.0778 0.0777-0.0000 ( 6573 PWs) bands (ev): -19.4990 -19.4990 -19.2747 -19.2745 -17.1813 -17.1793 -16.7971 -16.7971 -16.6764 -16.6759 -16.6691 -16.6683 -16.6630 -16.6611 -16.6290 -16.6285 -8.2678 -8.2677 -6.8813 -6.8801 -5.9078 -5.9039 -4.8837 -4.8792 -4.8163 -4.8154 -4.7921 -4.7887 -4.4137 -4.4106 -4.2764 -4.2763 -2.0794 -2.0743 -1.9466 -1.9397 -1.8577 -1.8556 -1.4100 -1.4099 -1.4054 -1.3994 -1.1398 -1.1379 -0.9587 -0.9575 -0.9305 -0.9261 -0.8987 -0.8940 -0.8288 -0.8274 0.0788 0.0812 0.2085 0.2097 0.4594 0.4624 0.7585 0.7587 0.8295 0.8299 1.0093 1.0093 6.9287 6.9287 9.4347 9.4348 10.3347 10.3406 10.3530 10.3536 10.4069 10.4125 10.7220 10.7244 k =-0.0889 0.0888-0.0000 ( 6565 PWs) bands (ev): -19.4951 -19.4951 -19.2746 -19.2744 -17.1801 -17.1778 -16.7976 -16.7976 -16.6834 -16.6831 -16.6701 -16.6689 -16.6651 -16.6630 -16.6293 -16.6287 -8.2505 -8.2505 -6.8806 -6.8792 -5.9075 -5.9031 -4.8756 -4.8705 -4.8267 -4.8259 -4.7842 -4.7800 -4.4173 -4.4138 -4.2757 -4.2756 -2.0944 -2.0891 -1.9433 -1.9354 -1.8457 -1.8438 -1.4097 -1.4096 -1.4048 -1.3981 -1.1424 -1.1403 -0.9640 -0.9626 -0.9342 -0.9286 -0.9040 -0.8984 -0.8367 -0.8352 0.0831 0.0858 0.2117 0.2131 0.4517 0.4553 0.7519 0.7522 0.8218 0.8222 1.0005 1.0005 6.9660 6.9660 9.4391 9.4392 10.3374 10.3401 10.3561 10.3595 10.4115 10.4180 10.7247 10.7272 k =-0.1000 0.0999-0.0000 ( 6565 PWs) bands (ev): -19.4908 -19.4908 -19.2745 -19.2742 -17.1787 -17.1762 -16.7982 -16.7982 -16.6915 -16.6913 -16.6713 -16.6695 -16.6671 -16.6651 -16.6296 -16.6290 -8.2312 -8.2311 -6.8798 -6.8783 -5.9072 -5.9023 -4.8668 -4.8609 -4.8386 -4.8377 -4.7749 -4.7701 -4.4210 -4.4172 -4.2749 -4.2748 -2.1088 -2.1034 -1.9397 -1.9309 -1.8350 -1.8333 -1.4089 -1.4088 -1.4044 -1.3970 -1.1466 -1.1445 -0.9705 -0.9688 -0.9385 -0.9316 -0.9101 -0.9034 -0.8437 -0.8420 0.0881 0.0911 0.2153 0.2170 0.4433 0.4474 0.7446 0.7450 0.8132 0.8137 0.9907 0.9907 7.0078 7.0078 9.4442 9.4442 10.3294 10.3311 10.3697 10.3747 10.4176 10.4250 10.7262 10.7288 k =-0.1111 0.1110 0.0000 ( 6555 PWs) bands (ev): -19.4859 -19.4859 -19.2743 -19.2740 -17.1771 -17.1744 -16.7988 -16.7988 -16.7005 -16.7004 -16.6730 -16.6703 -16.6688 -16.6674 -16.6300 -16.6294 -8.2096 -8.2096 -6.8790 -6.8773 -5.9070 -5.9016 -4.8596 -4.8548 -4.8484 -4.8475 -4.7644 -4.7591 -4.4248 -4.4205 -4.2739 -4.2738 -2.1225 -2.1170 -1.9359 -1.9262 -1.8256 -1.8241 -1.4075 -1.4075 -1.4041 -1.3962 -1.1528 -1.1506 -0.9782 -0.9763 -0.9435 -0.9350 -0.9170 -0.9089 -0.8494 -0.8475 0.0938 0.0970 0.2192 0.2212 0.4343 0.4390 0.7367 0.7371 0.8036 0.8041 0.9800 0.9800 7.0541 7.0541 9.4499 9.4499 10.3192 10.3210 10.3853 10.3907 10.4255 10.4340 10.7263 10.7288 k =-0.1222 0.1221-0.0000 ( 6551 PWs) bands (ev): -19.4807 -19.4807 -19.2741 -19.2738 -17.1754 -17.1725 -16.7995 -16.7995 -16.7104 -16.7102 -16.6751 -16.6712 -16.6703 -16.6698 -16.6304 -16.6299 -8.1860 -8.1860 -6.8781 -6.8763 -5.9069 -5.9011 -4.8687 -4.8682 -4.8431 -4.8376 -4.7529 -4.7470 -4.4284 -4.4238 -4.2728 -4.2727 -2.1355 -2.1299 -1.9318 -1.9213 -1.8178 -1.8165 -1.4058 -1.4054 -1.4037 -1.3958 -1.1615 -1.1593 -0.9868 -0.9846 -0.9492 -0.9386 -0.9246 -0.9148 -0.8534 -0.8515 0.1002 0.1036 0.2235 0.2259 0.4249 0.4301 0.7282 0.7285 0.7932 0.7937 0.9684 0.9684 7.1047 7.1047 9.4562 9.4562 10.3079 10.3100 10.4008 10.4063 10.4359 10.4457 10.7249 10.7273 k =-0.1333 0.1333-0.0000 ( 6545 PWs) bands (ev): -19.4750 -19.4750 -19.2739 -19.2736 -17.1736 -17.1704 -16.8002 -16.8002 -16.7210 -16.7209 -16.6776 -16.6727 -16.6718 -16.6716 -16.6309 -16.6304 -8.1604 -8.1603 -6.8772 -6.8753 -5.9070 -5.9007 -4.8846 -4.8845 -4.8315 -4.8252 -4.7403 -4.7340 -4.4318 -4.4269 -4.2716 -4.2715 -2.1476 -2.1419 -1.9276 -1.9163 -1.8116 -1.8105 -1.4055 -1.4023 -1.4015 -1.3958 -1.1728 -1.1707 -0.9962 -0.9937 -0.9557 -0.9427 -0.9329 -0.9210 -0.8559 -0.8540 0.1073 0.1110 0.2280 0.2308 0.4151 0.4210 0.7191 0.7195 0.7818 0.7824 0.9562 0.9562 7.1593 7.1593 9.4631 9.4631 10.2957 10.2983 10.4154 10.4208 10.4491 10.4601 10.7224 10.7246 k =-0.1444 0.1444-0.0000 ( 6549 PWs) bands (ev): -19.4689 -19.4689 -19.2737 -19.2734 -17.1716 -17.1681 -16.8010 -16.8010 -16.7324 -16.7323 -16.6804 -16.6753 -16.6728 -16.6728 -16.6315 -16.6310 -8.1327 -8.1326 -6.8763 -6.8743 -5.9072 -5.9005 -4.9023 -4.9023 -4.8187 -4.8119 -4.7267 -4.7200 -4.4349 -4.4297 -4.2703 -4.2701 -2.1589 -2.1531 -1.9234 -1.9114 -1.8072 -1.8063 -1.4064 -1.3986 -1.3975 -1.3962 -1.1869 -1.1850 -1.0060 -1.0032 -0.9631 -0.9473 -0.9417 -0.9275 -0.8570 -0.8550 0.1152 0.1190 0.2326 0.2360 0.4052 0.4118 0.7096 0.7100 0.7696 0.7702 0.9432 0.9432 7.2179 7.2179 9.4706 9.4707 10.2825 10.2856 10.4287 10.4344 10.4652 10.4770 10.7190 10.7209 k =-0.1556 0.1555-0.0000 ( 6547 PWs) bands (ev): -19.4624 -19.4624 -19.2735 -19.2732 -17.1694 -17.1658 -16.8018 -16.8018 -16.7444 -16.7443 -16.6834 -16.6782 -16.6740 -16.6739 -16.6322 -16.6317 -8.1031 -8.1031 -6.8754 -6.8733 -5.9076 -5.9006 -4.9216 -4.9215 -4.8049 -4.7977 -4.7122 -4.7051 -4.4376 -4.4321 -4.2688 -4.2686 -2.1692 -2.1633 -1.9192 -1.9065 -1.8046 -1.8039 -1.4080 -1.3982 -1.3928 -1.3924 -1.2037 -1.2019 -1.0161 -1.0129 -0.9713 -0.9543 -0.9491 -0.9340 -0.8568 -0.8549 0.1239 0.1279 0.2373 0.2413 0.3954 0.4028 0.6997 0.7001 0.7566 0.7572 0.9296 0.9297 7.2803 7.2803 9.4787 9.4788 10.2682 10.2718 10.4412 10.4474 10.4833 10.4955 10.7152 10.7168 k =-0.1667 0.1666-0.0000 ( 6543 PWs) bands (ev): -19.4555 -19.4555 -19.2733 -19.2730 -17.1672 -17.1633 -16.8027 -16.8026 -16.7570 -16.7570 -16.6865 -16.6812 -16.6752 -16.6749 -16.6329 -16.6324 -8.0717 -8.0716 -6.8745 -6.8723 -5.9083 -5.9009 -4.9422 -4.9421 -4.7904 -4.7828 -4.6967 -4.6894 -4.4397 -4.4340 -4.2671 -4.2670 -2.1785 -2.1726 -1.9150 -1.9016 -1.8039 -1.8033 -1.4103 -1.4001 -1.3869 -1.3864 -1.2228 -1.2212 -1.0263 -1.0227 -0.9806 -0.9643 -0.9544 -0.9406 -0.8558 -0.8538 0.1334 0.1375 0.2418 0.2465 0.3860 0.3942 0.6895 0.6898 0.7428 0.7435 0.9156 0.9156 7.3463 7.3463 9.4873 9.4875 10.2526 10.2568 10.4531 10.4600 10.5027 10.5150 10.7116 10.7129 k =-0.1778 0.1777-0.0000 ( 6545 PWs) bands (ev): -19.4483 -19.4483 -19.2731 -19.2727 -17.1648 -17.1608 -16.8036 -16.8036 -16.7702 -16.7701 -16.6898 -16.6844 -16.6764 -16.6760 -16.6336 -16.6332 -8.0384 -8.0383 -6.8736 -6.8714 -5.9093 -5.9016 -4.9642 -4.9641 -4.7751 -4.7673 -4.6805 -4.6729 -4.4412 -4.4353 -4.2653 -4.2652 -2.1869 -2.1808 -1.9109 -1.8970 -1.8050 -1.8047 -1.4134 -1.4030 -1.3804 -1.3798 -1.2436 -1.2421 -1.0366 -1.0327 -0.9908 -0.9757 -0.9595 -0.9472 -0.8540 -0.8520 0.1437 0.1478 0.2459 0.2514 0.3773 0.3865 0.6790 0.6793 0.7283 0.7290 0.9012 0.9012 7.4156 7.4156 9.4964 9.4967 10.2358 10.2406 10.4644 10.4722 10.5229 10.5350 10.7088 10.7096 k =-0.1889 0.1888 0.0000 ( 6541 PWs) bands (ev): -19.4408 -19.4408 -19.2729 -19.2725 -17.1623 -17.1581 -16.8046 -16.8046 -16.7838 -16.7837 -16.6932 -16.6876 -16.6776 -16.6771 -16.6345 -16.6341 -8.0035 -8.0034 -6.8728 -6.8705 -5.9105 -5.9026 -4.9875 -4.9874 -4.7592 -4.7512 -4.6634 -4.6556 -4.4419 -4.4359 -4.2634 -4.2632 -2.1941 -2.1880 -1.9070 -1.8926 -1.8079 -1.8078 -1.4172 -1.4067 -1.3740 -1.3733 -1.2649 -1.2634 -1.0472 -1.0430 -1.0020 -0.9879 -0.9647 -0.9540 -0.8518 -0.8498 0.1548 0.1589 0.2493 0.2555 0.3699 0.3800 0.6684 0.6686 0.7131 0.7138 0.8864 0.8865 7.4882 7.4882 9.5058 9.5062 10.2177 10.2232 10.4747 10.4836 10.5439 10.5554 10.7073 10.7077 k =-0.2000 0.1999-0.0000 ( 6533 PWs) bands (ev): -19.4330 -19.4330 -19.2726 -19.2722 -17.1597 -17.1553 -16.8062 -16.8061 -16.7974 -16.7971 -16.6967 -16.6910 -16.6788 -16.6783 -16.6353 -16.6350 -7.9668 -7.9667 -6.8721 -6.8697 -5.9121 -5.9040 -5.0121 -5.0121 -4.7428 -4.7346 -4.6456 -4.6376 -4.4418 -4.4357 -4.2613 -4.2611 -2.2003 -2.1942 -1.9034 -1.8885 -1.8126 -1.8126 -1.4217 -1.4112 -1.3696 -1.3688 -1.2845 -1.2831 -1.0581 -1.0536 -1.0141 -1.0010 -0.9702 -0.9608 -0.8492 -0.8472 0.1666 0.1706 0.2516 0.2584 0.3644 0.3752 0.6577 0.6578 0.6973 0.6981 0.8715 0.8715 7.5638 7.5638 9.5155 9.5160 10.1987 10.2046 10.4833 10.4935 10.5658 10.5767 10.7074 10.7074 k =-0.2111 0.2110-0.0000 ( 6537 PWs) bands (ev): -19.4250 -19.4250 -19.2724 -19.2720 -17.1571 -17.1525 -16.8141 -16.8139 -16.8050 -16.8047 -16.7002 -16.6945 -16.6800 -16.6794 -16.6362 -16.6359 -7.9287 -7.9286 -6.8714 -6.8690 -5.9140 -5.9058 -5.0381 -5.0380 -4.7258 -4.7177 -4.6271 -4.6190 -4.4408 -4.4346 -4.2591 -4.2589 -2.2054 -2.1993 -1.9000 -1.8847 -1.8189 -1.8188 -1.4270 -1.4166 -1.3711 -1.3705 -1.2980 -1.2968 -1.0695 -1.0648 -1.0272 -1.0148 -0.9761 -0.9679 -0.8465 -0.8445 0.1791 0.1830 0.2525 0.2594 0.3614 0.3726 0.6468 0.6470 0.6810 0.6818 0.8564 0.8565 7.6421 7.6421 9.5253 9.5259 10.1788 10.1853 10.4895 10.5009 10.5891 10.5991 10.7090 10.7094 k =-0.2222 0.2221 0.0000 ( 6537 PWs) bands (ev): -19.4167 -19.4167 -19.2721 -19.2717 -17.1543 -17.1496 -16.8282 -16.8281 -16.8065 -16.8063 -16.7039 -16.6980 -16.6812 -16.6806 -16.6372 -16.6369 -7.8890 -7.8889 -6.8707 -6.8683 -5.9163 -5.9080 -5.0653 -5.0652 -4.7085 -4.7004 -4.6080 -4.5998 -4.4388 -4.4326 -4.2567 -4.2565 -2.2094 -2.2033 -1.8969 -1.8813 -1.8267 -1.8264 -1.4330 -1.4229 -1.3827 -1.3826 -1.3010 -1.3003 -1.0813 -1.0763 -1.0412 -1.0293 -0.9824 -0.9752 -0.8437 -0.8418 0.1922 0.1959 0.2516 0.2583 0.3613 0.3724 0.6360 0.6361 0.6643 0.6651 0.8413 0.8414 7.7231 7.7231 9.5350 9.5357 10.1586 10.1655 10.4925 10.5050 10.6141 10.6232 10.7128 10.7135 k =-0.2333 0.2332-0.0000 ( 6529 PWs) bands (ev): -19.4083 -19.4083 -19.2719 -19.2714 -17.1515 -17.1467 -16.8431 -16.8431 -16.8075 -16.8074 -16.7075 -16.7016 -16.6825 -16.6818 -16.6382 -16.6379 -7.8480 -7.8478 -6.8702 -6.8677 -5.9189 -5.9105 -5.0938 -5.0937 -4.6910 -4.6829 -4.5883 -4.5802 -4.4358 -4.4297 -4.2542 -4.2540 -2.2123 -2.2062 -1.8942 -1.8783 -1.8358 -1.8353 -1.4397 -1.4300 -1.4030 -1.4025 -1.2955 -1.2952 -1.0934 -1.0882 -1.0559 -1.0444 -0.9892 -0.9828 -0.8410 -0.8391 0.2059 0.2090 0.2493 0.2551 0.3641 0.3748 0.6252 0.6253 0.6472 0.6481 0.8262 0.8263 7.8064 7.8064 9.5444 9.5453 10.1385 10.1458 10.4921 10.5054 10.6411 10.6493 10.7187 10.7196 k =-0.2444 0.2443-0.0000 ( 6537 PWs) bands (ev): -19.3997 -19.3997 -19.2716 -19.2712 -17.1486 -17.1437 -16.8583 -16.8583 -16.8085 -16.8084 -16.7113 -16.7053 -16.6837 -16.6830 -16.6392 -16.6390 -7.8056 -7.8055 -6.8697 -6.8673 -5.9219 -5.9135 -5.1234 -5.1234 -4.6732 -4.6653 -4.5683 -4.5602 -4.4318 -4.4258 -4.2515 -4.2513 -2.2141 -2.2080 -1.8919 -1.8759 -1.8459 -1.8453 -1.4470 -1.4386 -1.4274 -1.4257 -1.2860 -1.2860 -1.1055 -1.1001 -1.0714 -1.0602 -0.9966 -0.9909 -0.8384 -0.8365 0.2198 0.2216 0.2462 0.2500 0.3696 0.3795 0.6141 0.6145 0.6302 0.6312 0.8112 0.8114 7.8919 7.8919 9.5532 9.5542 10.1190 10.1266 10.4879 10.5017 10.6701 10.6777 10.7265 10.7277 k =-0.2556 0.2554-0.0000 ( 6543 PWs) bands (ev): -19.3910 -19.3910 -19.2714 -19.2709 -17.1457 -17.1407 -16.8736 -16.8736 -16.8093 -16.8093 -16.7150 -16.7090 -16.6850 -16.6843 -16.6403 -16.6401 -7.7621 -7.7620 -6.8694 -6.8669 -5.9252 -5.9168 -5.1543 -5.1542 -4.6554 -4.6477 -4.5478 -4.5398 -4.4267 -4.4209 -4.2488 -4.2485 -2.2148 -2.2088 -1.8902 -1.8740 -1.8569 -1.8561 -1.4562 -1.4554 -1.4518 -1.4428 -1.2755 -1.2754 -1.1171 -1.1116 -1.0876 -1.0766 -1.0045 -0.9995 -0.8360 -0.8342 0.2303 0.2339 0.2437 0.2459 0.3772 0.3862 0.6026 0.6033 0.6136 0.6149 0.7964 0.7966 7.9793 7.9793 9.5611 9.5622 10.1007 10.1086 10.4800 10.4941 10.7013 10.7084 10.7363 10.7377 k =-0.2667 0.2665-0.0000 ( 6539 PWs) bands (ev): -19.3823 -19.3822 -19.2711 -19.2707 -17.1427 -17.1377 -16.8890 -16.8890 -16.8102 -16.8101 -16.7188 -16.7127 -16.6862 -16.6855 -16.6413 -16.6411 -7.7176 -7.7174 -6.8691 -6.8667 -5.9288 -5.9205 -5.1863 -5.1862 -4.6376 -4.6302 -4.5271 -4.5192 -4.4206 -4.4150 -4.2459 -4.2456 -2.2145 -2.2086 -1.8889 -1.8729 -1.8686 -1.8675 -1.4806 -1.4804 -1.4620 -1.4523 -1.2659 -1.2658 -1.1273 -1.1216 -1.1042 -1.0936 -1.0130 -1.0085 -0.8338 -0.8320 0.2289 0.2363 0.2483 0.2550 0.3864 0.3945 0.5895 0.5904 0.5992 0.6005 0.7819 0.7821 8.0684 8.0684 9.5677 9.5690 10.0843 10.0923 10.4688 10.4829 10.7341 10.7414 10.7476 10.7498 k =-0.2778 0.2776 0.0000 ( 6537 PWs) bands (ev): -19.3735 -19.3735 -19.2708 -19.2704 -17.1398 -17.1347 -16.9043 -16.9043 -16.8110 -16.8109 -16.7225 -16.7165 -16.6874 -16.6867 -16.6424 -16.6422 -7.6720 -7.6719 -6.8689 -6.8666 -5.9326 -5.9245 -5.2194 -5.2193 -4.6199 -4.6129 -4.5062 -4.4985 -4.4134 -4.4081 -4.2429 -4.2426 -2.2132 -2.2074 -1.8883 -1.8807 -1.8799 -1.8720 -1.5066 -1.5066 -1.4701 -1.4611 -1.2593 -1.2591 -1.1347 -1.1286 -1.1209 -1.1110 -1.0221 -1.0180 -0.8318 -0.8301 0.2233 0.2288 0.2620 0.2674 0.3968 0.4041 0.5744 0.5750 0.5878 0.5888 0.7678 0.7680 8.1589 8.1590 9.5728 9.5741 10.0702 10.0783 10.4547 10.4686 10.7597 10.7602 10.7726 10.7766 k =-0.2889 0.2887 0.0000 ( 6541 PWs) bands (ev): -19.3647 -19.3647 -19.2706 -19.2702 -17.1368 -17.1317 -16.9195 -16.9195 -16.8117 -16.8117 -16.7263 -16.7203 -16.6886 -16.6878 -16.6435 -16.6433 -7.6257 -7.6255 -6.8688 -6.8665 -5.9368 -5.9287 -5.2534 -5.2534 -4.6025 -4.5959 -4.4852 -4.4777 -4.4052 -4.4003 -4.2398 -4.2396 -2.2110 -2.2053 -1.8933 -1.8920 -1.8881 -1.8722 -1.5324 -1.5322 -1.4781 -1.4698 -1.2581 -1.2573 -1.1429 -1.1321 -1.1316 -1.1280 -1.0317 -1.0280 -0.8301 -0.8284 0.2168 0.2212 0.2751 0.2798 0.4081 0.4146 0.5586 0.5591 0.5780 0.5787 0.7540 0.7543 8.2507 8.2507 9.5759 9.5773 10.0590 10.0671 10.4381 10.4518 10.7739 10.7743 10.8092 10.8137 k =-0.3000 0.2998-0.0000 ( 6535 PWs) bands (ev): -19.3560 -19.3560 -19.2703 -19.2699 -17.1338 -17.1288 -16.9346 -16.9346 -16.8125 -16.8124 -16.7300 -16.7240 -16.6897 -16.6890 -16.6445 -16.6444 -7.5787 -7.5785 -6.8688 -6.8666 -5.9411 -5.9332 -5.2884 -5.2884 -4.5854 -4.5793 -4.4643 -4.4570 -4.3961 -4.3915 -4.2367 -4.2364 -2.2080 -2.2025 -1.9057 -1.9043 -1.8888 -1.8732 -1.5574 -1.5572 -1.4857 -1.4782 -1.2635 -1.2619 -1.1595 -1.1473 -1.1292 -1.1266 -1.0419 -1.0385 -0.8286 -0.8269 0.2100 0.2137 0.2871 0.2913 0.4200 0.4257 0.5434 0.5440 0.5689 0.5695 0.7407 0.7410 8.3433 8.3434 9.5769 9.5783 10.0511 10.0590 10.4197 10.4329 10.7882 10.7889 10.8484 10.8527 k =-0.3111 0.3109-0.0000 ( 6545 PWs) bands (ev): -19.3474 -19.3474 -19.2701 -19.2697 -17.1309 -17.1259 -16.9493 -16.9493 -16.8131 -16.8131 -16.7336 -16.7277 -16.6908 -16.6901 -16.6456 -16.6455 -7.5311 -7.5309 -6.8689 -6.8668 -5.9455 -5.9380 -5.3243 -5.3242 -4.5688 -4.5632 -4.4435 -4.4365 -4.3861 -4.3820 -4.2335 -4.2332 -2.2043 -2.1990 -1.9178 -1.9162 -1.8903 -1.8750 -1.5815 -1.5813 -1.4929 -1.4863 -1.2747 -1.2724 -1.1778 -1.1658 -1.1194 -1.1173 -1.0526 -1.0495 -0.8273 -0.8258 0.2034 0.2064 0.2974 0.3011 0.4323 0.4373 0.5295 0.5303 0.5604 0.5609 0.7279 0.7283 8.4366 8.4367 9.5756 9.5769 10.0466 10.0543 10.3999 10.4126 10.8028 10.8035 10.8891 10.8931 k =-0.3222 0.3220-0.0000 ( 6557 PWs) bands (ev): -19.3390 -19.3389 -19.2698 -19.2694 -17.1280 -17.1231 -16.9637 -16.9637 -16.8138 -16.8137 -16.7372 -16.7314 -16.6919 -16.6912 -16.6466 -16.6465 -7.4832 -7.4830 -6.8691 -6.8671 -5.9501 -5.9428 -5.3608 -5.3608 -4.5527 -4.5476 -4.4230 -4.4163 -4.3754 -4.3717 -4.2303 -4.2300 -2.2001 -2.1950 -1.9294 -1.9276 -1.8924 -1.8777 -1.6046 -1.6043 -1.4995 -1.4938 -1.2903 -1.2874 -1.1965 -1.1844 -1.1055 -1.1040 -1.0636 -1.0608 -0.8263 -0.8248 0.1969 0.1995 0.3055 0.3087 0.4447 0.4492 0.5177 0.5187 0.5525 0.5528 0.7157 0.7161 8.5302 8.5303 9.5721 9.5733 10.0455 10.0530 10.3793 10.3914 10.8173 10.8181 10.9306 10.9342 k =-0.3333 0.3331-0.0000 ( 6557 PWs) bands (ev): -19.3307 -19.3307 -19.2696 -19.2692 -17.1252 -17.1204 -16.9777 -16.9777 -16.8143 -16.8143 -16.7407 -16.7351 -16.6929 -16.6923 -16.6476 -16.6475 -7.4352 -7.4349 -6.8693 -6.8674 -5.9547 -5.9477 -5.3980 -5.3980 -4.5373 -4.5327 -4.4028 -4.3965 -4.3640 -4.3609 -4.2271 -4.2268 -2.1956 -2.1908 -1.9402 -1.9381 -1.8952 -1.8812 -1.6266 -1.6263 -1.5052 -1.5006 -1.3088 -1.3054 -1.2155 -1.2033 -1.0891 -1.0883 -1.0748 -1.0724 -0.8256 -0.8242 0.1907 0.1929 0.3105 0.3132 0.4572 0.4611 0.5087 0.5101 0.5450 0.5453 0.7040 0.7045 8.6238 8.6238 9.5665 9.5676 10.0476 10.0548 10.3583 10.3698 10.8314 10.8322 10.9711 10.9742 k =-0.3444 0.3442 0.0000 ( 6552 PWs) bands (ev): -19.3227 -19.3227 -19.2694 -19.2690 -17.1224 -17.1177 -16.9912 -16.9912 -16.8148 -16.8147 -16.7441 -16.7386 -16.6939 -16.6933 -16.6486 -16.6485 -7.3871 -7.3868 -6.8697 -6.8679 -5.9594 -5.9527 -5.4356 -5.4356 -4.5225 -4.5185 -4.3832 -4.3772 -4.3522 -4.3495 -4.2239 -4.2237 -2.1910 -2.1865 -1.9497 -1.9473 -1.8988 -1.8855 -1.6474 -1.6471 -1.5099 -1.5065 -1.3292 -1.3256 -1.2345 -1.2221 -1.0873 -1.0843 -1.0711 -1.0699 -0.8251 -0.8237 0.1849 0.1868 0.3120 0.3141 0.4696 0.4729 0.5030 0.5048 0.5380 0.5384 0.6930 0.6935 8.7169 8.7170 9.5592 9.5601 10.0526 10.0594 10.3374 10.3481 10.8447 10.8454 11.0014 11.0040 k =-0.3556 0.3553-0.0000 ( 6546 PWs) bands (ev): -19.3151 -19.3150 -19.2691 -19.2688 -17.1197 -17.1152 -17.0041 -17.0041 -16.8153 -16.8151 -16.7474 -16.7421 -16.6949 -16.6942 -16.6495 -16.6494 -7.3394 -7.3390 -6.8700 -6.8684 -5.9639 -5.9577 -5.4735 -5.4734 -4.5085 -4.5050 -4.3643 -4.3585 -4.3401 -4.3379 -4.2208 -4.2206 -2.1866 -2.1825 -1.9576 -1.9549 -1.9031 -1.8906 -1.6671 -1.6667 -1.5136 -1.5113 -1.3509 -1.3471 -1.2535 -1.2409 -1.0989 -1.0962 -1.0525 -1.0518 -0.8249 -0.8235 0.1795 0.1811 0.3098 0.3114 0.4816 0.4842 0.5009 0.5033 0.5316 0.5321 0.6826 0.6832 8.8092 8.8093 9.5506 9.5514 10.0599 10.0663 10.3167 10.3267 10.8568 10.8575 11.0071 11.0098 k =-0.3667 0.3664 0.0000 ( 6548 PWs) bands (ev): -19.3077 -19.3077 -19.2689 -19.2686 -17.1171 -17.1128 -17.0164 -17.0164 -16.8156 -16.8155 -16.7506 -16.7455 -16.6957 -16.6952 -16.6504 -16.6503 -7.2921 -7.2918 -6.8704 -6.8689 -5.9684 -5.9625 -5.5113 -5.5113 -4.4952 -4.4922 -4.3461 -4.3407 -4.3279 -4.3261 -4.2178 -4.2175 -2.1827 -2.1791 -1.9634 -1.9604 -1.9079 -1.8964 -1.6855 -1.6851 -1.5161 -1.5150 -1.3734 -1.3694 -1.2723 -1.2595 -1.1106 -1.1081 -1.0336 -1.0331 -0.8249 -0.8236 0.1744 0.1758 0.3041 0.3053 0.4927 0.4946 0.5025 0.5056 0.5258 0.5264 0.6729 0.6736 8.9002 8.9003 9.5412 9.5418 10.0689 10.0749 10.2967 10.3060 10.8673 10.8679 11.0048 11.0081 k =-0.3778 0.3775 0.0000 ( 6540 PWs) bands (ev): -19.3008 -19.3008 -19.2687 -19.2683 -17.1147 -17.1106 -17.0280 -17.0280 -16.8159 -16.8157 -16.7536 -16.7487 -16.6966 -16.6960 -16.6512 -16.6512 -7.2457 -7.2453 -6.8709 -6.8696 -5.9727 -5.9673 -5.5490 -5.5490 -4.4829 -4.4803 -4.3288 -4.3237 -4.3156 -4.3143 -4.2149 -4.2146 -2.1796 -2.1765 -1.9669 -1.9635 -1.9132 -1.9027 -1.7028 -1.7024 -1.5176 -1.5173 -1.3962 -1.3922 -1.2909 -1.2779 -1.1222 -1.1198 -1.0146 -1.0143 -0.8252 -0.8239 0.1698 0.1710 0.2957 0.2965 0.5012 0.5030 0.5084 0.5115 0.5208 0.5218 0.6639 0.6647 8.9893 8.9893 9.5314 9.5320 10.0790 10.0846 10.2775 10.2861 10.8759 10.8765 11.0015 11.0053 k =-0.3889 0.3886-0.0000 ( 6536 PWs) bands (ev): -19.2943 -19.2943 -19.2684 -19.2681 -17.1123 -17.1085 -17.0389 -17.0389 -16.8162 -16.8159 -16.7564 -16.7518 -16.6973 -16.6968 -16.6520 -16.6520 -7.2004 -7.2000 -6.8714 -6.8702 -5.9768 -5.9718 -5.5861 -5.5861 -4.4714 -4.4693 -4.3128 -4.3080 -4.3035 -4.3026 -4.2121 -4.2118 -2.1775 -2.1749 -1.9678 -1.9640 -1.9188 -1.9093 -1.7190 -1.7185 -1.5188 -1.5173 -1.4192 -1.4152 -1.3091 -1.2960 -1.1335 -1.1312 -0.9959 -0.9958 -0.8258 -0.8245 0.1657 0.1667 0.2854 0.2860 0.5063 0.5099 0.5145 0.5152 0.5213 0.5221 0.6556 0.6565 9.0757 9.0757 9.5220 9.5225 10.0895 10.0948 10.2594 10.2672 10.8823 10.8829 10.9983 11.0026 k =-0.4000 0.3998-0.0000 ( 6546 PWs) bands (ev): -19.2884 -19.2883 -19.2681 -19.2678 -17.1102 -17.1066 -17.0489 -17.0489 -16.8164 -16.8161 -16.7590 -16.7547 -16.6980 -16.6975 -16.6527 -16.6527 -7.1566 -7.1562 -6.8720 -6.8710 -5.9807 -5.9761 -5.6223 -5.6223 -4.4609 -4.4591 -4.2982 -4.2941 -4.2915 -4.2906 -4.2095 -4.2092 -2.1766 -2.1744 -1.9659 -1.9618 -1.9246 -1.9162 -1.7342 -1.7336 -1.5189 -1.5161 -1.4419 -1.4379 -1.3269 -1.3137 -1.1444 -1.1422 -0.9777 -0.9777 -0.8267 -0.8255 0.1619 0.1627 0.2740 0.2744 0.5071 0.5098 0.5178 0.5188 0.5293 0.5308 0.6481 0.6491 9.1585 9.1585 9.5134 9.5139 10.0999 10.1048 10.2427 10.2497 10.8865 10.8871 10.9954 11.0002 k =-0.4111 0.4109-0.0000 ( 6558 PWs) bands (ev): -19.2830 -19.2830 -19.2678 -19.2675 -17.1081 -17.1049 -17.0580 -17.0580 -16.8165 -16.8162 -16.7615 -16.7575 -16.6986 -16.6982 -16.6534 -16.6534 -7.1149 -7.1144 -6.8726 -6.8718 -5.9842 -5.9801 -5.6572 -5.6572 -4.4513 -4.4499 -4.2854 -4.2827 -4.2796 -4.2779 -4.2070 -4.2068 -2.1767 -2.1750 -1.9614 -1.9570 -1.9303 -1.9230 -1.7484 -1.7478 -1.5177 -1.5137 -1.4640 -1.4600 -1.3441 -1.3308 -1.1546 -1.1526 -0.9603 -0.9602 -0.8280 -0.8268 0.1586 0.1593 0.2622 0.2625 0.5046 0.5061 0.5247 0.5248 0.5385 0.5396 0.6412 0.6423 9.2362 9.2363 9.5066 9.5072 10.1096 10.1141 10.2273 10.2336 10.8883 10.8889 10.9930 10.9983 k =-0.4222 0.4220-0.0000 ( 6558 PWs) bands (ev): -19.2784 -19.2783 -19.2673 -19.2671 -17.1063 -17.1034 -17.0662 -17.0662 -16.8165 -16.8162 -16.7636 -16.7600 -16.6992 -16.6988 -16.6540 -16.6540 -7.0756 -7.0750 -6.8732 -6.8726 -5.9875 -5.9838 -5.6903 -5.6903 -4.4428 -4.4416 -4.2746 -4.2728 -4.2679 -4.2659 -4.2049 -4.2047 -2.1778 -2.1764 -1.9547 -1.9499 -1.9357 -1.9296 -1.7618 -1.7611 -1.5154 -1.5101 -1.4850 -1.4812 -1.3607 -1.3475 -1.1640 -1.1622 -0.9438 -0.9435 -0.8297 -0.8285 0.1556 0.1562 0.2507 0.2509 0.5016 0.5027 0.5314 0.5318 0.5471 0.5478 0.6351 0.6363 9.3065 9.3068 9.5034 9.5041 10.1181 10.1222 10.2135 10.2190 10.8879 10.8885 10.9913 10.9969 k =-0.4333 0.4331-0.0000 ( 6556 PWs) bands (ev): -19.2746 -19.2745 -19.2665 -19.2663 -17.1046 -17.1021 -17.0734 -17.0734 -16.8165 -16.8162 -16.7655 -16.7624 -16.6997 -16.6993 -16.6545 -16.6545 -7.0393 -7.0386 -6.8740 -6.8736 -5.9903 -5.9871 -5.7210 -5.7209 -4.4353 -4.4343 -4.2652 -4.2640 -4.2571 -4.2552 -4.2029 -4.2027 -2.1795 -2.1784 -1.9471 -1.9413 -1.9394 -1.9355 -1.7744 -1.7736 -1.5125 -1.5068 -1.5033 -1.5004 -1.3765 -1.3634 -1.1725 -1.1709 -0.9282 -0.9278 -0.8319 -0.8308 0.1531 0.1536 0.2398 0.2399 0.4989 0.4997 0.5378 0.5383 0.5549 0.5552 0.6297 0.6310 9.3648 9.3653 9.5076 9.5085 10.1250 10.1288 10.2015 10.2061 10.8856 10.8861 10.9902 10.9960 k =-0.4444 0.4442 0.0000 ( 6548 PWs) bands (ev): -19.2719 -19.2719 -19.2652 -19.2651 -17.1032 -17.1010 -17.0795 -17.0795 -16.8165 -16.8162 -16.7671 -16.7644 -16.7001 -16.6998 -16.6549 -16.6549 -7.0066 -7.0059 -6.8748 -6.8747 -5.9927 -5.9901 -5.7486 -5.7486 -4.4288 -4.4281 -4.2572 -4.2564 -4.2476 -4.2459 -4.2012 -4.2010 -2.1815 -2.1807 -1.9472 -1.9420 -1.9334 -1.9300 -1.7864 -1.7854 -1.5228 -1.5205 -1.5059 -1.4997 -1.3915 -1.3786 -1.1800 -1.1785 -0.9137 -0.9132 -0.8346 -0.8335 0.1510 0.1514 0.2300 0.2301 0.4965 0.4971 0.5436 0.5441 0.5617 0.5617 0.6251 0.6264 9.4038 9.4045 9.5255 9.5267 10.1301 10.1334 10.1911 10.1950 10.8818 10.8823 10.9899 10.9956 k =-0.4556 0.4553 0.0000 ( 6548 PWs) bands (ev): -19.2705 -19.2705 -19.2635 -19.2634 -17.1019 -17.1002 -17.0846 -17.0846 -16.8164 -16.8162 -16.7684 -16.7662 -16.7004 -16.7002 -16.6553 -16.6553 -6.9781 -6.9774 -6.8760 -6.8759 -5.9946 -5.9925 -5.7726 -5.7726 -4.4235 -4.4230 -4.2506 -4.2500 -4.2396 -4.2382 -4.1998 -4.1996 -2.1835 -2.1829 -1.9508 -1.9468 -1.9224 -1.9188 -1.7979 -1.7967 -1.5382 -1.5359 -1.5008 -1.4934 -1.4053 -1.3930 -1.1862 -1.1850 -0.9005 -0.8999 -0.8380 -0.8369 0.1493 0.1496 0.2216 0.2216 0.4946 0.4950 0.5486 0.5491 0.5673 0.5675 0.6212 0.6225 9.4217 9.4223 9.5579 9.5590 10.1334 10.1362 10.1827 10.1858 10.8772 10.8777 10.9901 10.9955 k =-0.4667 0.4664-0.0000 ( 6556 PWs) bands (ev): -19.2698 -19.2697 -19.2616 -19.2616 -17.1009 -17.0996 -17.0886 -17.0886 -16.8164 -16.8162 -16.7694 -16.7677 -16.7007 -16.7005 -16.6556 -16.6556 -6.9545 -6.9537 -6.8775 -6.8773 -5.9961 -5.9945 -5.7922 -5.7922 -4.4193 -4.4189 -4.2453 -4.2449 -4.2333 -4.2322 -4.1986 -4.1985 -2.1853 -2.1849 -1.9538 -1.9509 -1.9107 -1.9074 -1.8086 -1.8074 -1.5509 -1.5490 -1.4945 -1.4867 -1.4177 -1.4063 -1.1912 -1.1902 -0.8885 -0.8878 -0.8421 -0.8411 0.1480 0.1482 0.2147 0.2148 0.4931 0.4934 0.5527 0.5530 0.5718 0.5721 0.6181 0.6193 9.4276 9.4281 9.5938 9.5947 10.1350 10.1372 10.1761 10.1784 10.8726 10.8730 10.9909 10.9956 k =-0.4778 0.4775-0.0000 ( 6560 PWs) bands (ev): -19.2694 -19.2694 -19.2602 -19.2601 -17.1002 -17.0993 -17.0914 -17.0914 -16.8163 -16.8162 -16.7700 -16.7689 -16.7008 -16.7007 -16.6558 -16.6558 -6.9363 -6.9356 -6.8793 -6.8790 -5.9971 -5.9961 -5.8067 -5.8067 -4.4163 -4.4161 -4.2415 -4.2412 -4.2287 -4.2279 -4.1978 -4.1977 -2.1867 -2.1865 -1.9560 -1.9541 -1.8996 -1.8970 -1.8183 -1.8170 -1.5602 -1.5589 -1.4876 -1.4804 -1.4280 -1.4183 -1.1947 -1.1941 -0.8779 -0.8771 -0.8471 -0.8460 0.1471 0.1472 0.2097 0.2097 0.4920 0.4922 0.5557 0.5559 0.5752 0.5755 0.6159 0.6168 9.4291 9.4294 9.6240 9.6246 10.1355 10.1370 10.1715 10.1730 10.8686 10.8689 10.9921 10.9956 k =-0.4889 0.4886-0.0000 ( 6572 PWs) bands (ev): -19.2692 -19.2692 -19.2592 -19.2592 -17.0997 -17.0992 -17.0930 -17.0930 -16.8162 -16.8162 -16.7703 -16.7697 -16.7009 -16.7009 -16.6559 -16.6559 -6.9244 -6.9239 -6.8810 -6.8807 -5.9976 -5.9971 -5.8157 -5.8157 -4.4145 -4.4144 -4.2391 -4.2390 -4.2258 -4.2254 -4.1973 -4.1972 -2.1876 -2.1875 -1.9571 -1.9562 -1.8909 -1.8892 -1.8254 -1.8245 -1.5658 -1.5651 -1.4810 -1.4761 -1.4343 -1.4282 -1.1968 -1.1965 -0.8686 -0.8677 -0.8529 -0.8519 0.1465 0.1466 0.2066 0.2066 0.4914 0.4915 0.5575 0.5577 0.5773 0.5775 0.6147 0.6152 9.4293 9.4295 9.6438 9.6441 10.1355 10.1363 10.1689 10.1697 10.8660 10.8661 10.9934 10.9953 k =-0.5000 0.4997-0.0000 ( 6572 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0936 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1357 10.1357 10.1683 10.1683 10.8651 10.8651 10.9945 10.9945 k =-0.5000 0.4997-0.0000 ( 6572 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0936 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1357 10.1357 10.1683 10.1683 10.8651 10.8651 10.9945 10.9945 k =-0.4997 0.5000-0.0000 ( 6576 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0935 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1356 10.1358 10.1682 10.1684 10.8651 10.8651 10.9945 10.9945 k =-0.4997 0.5000-0.0000 ( 6576 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0935 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1356 10.1358 10.1682 10.1684 10.8651 10.8651 10.9945 10.9945 k =-0.4997 0.5000 0.0155 ( 6572 PWs) bands (ev): -19.2692 -19.2691 -19.2589 -19.2589 -17.0995 -17.0992 -17.0937 -17.0934 -16.8162 -16.8161 -16.7703 -16.7702 -16.7011 -16.7006 -16.6562 -16.6559 -6.9199 -6.9198 -6.8818 -6.8816 -5.9975 -5.9972 -5.8190 -5.8186 -4.4139 -4.4138 -4.2385 -4.2383 -4.2251 -4.2247 -4.1978 -4.1972 -2.1874 -2.1872 -1.9579 -1.9567 -1.8880 -1.8869 -1.8279 -1.8276 -1.5722 -1.5707 -1.4760 -1.4746 -1.4307 -1.4289 -1.1992 -1.1989 -0.8621 -0.8618 -0.8566 -0.8562 0.1464 0.1466 0.2050 0.2055 0.4907 0.4917 0.5568 0.5569 0.5778 0.5781 0.6150 0.6154 9.4306 9.4310 9.6521 9.6521 10.1367 10.1370 10.1691 10.1696 10.8640 10.8646 10.9963 10.9966 k =-0.4997 0.5000 0.0311 ( 6572 PWs) bands (ev): -19.2691 -19.2691 -19.2590 -19.2589 -17.0996 -17.0990 -17.0939 -17.0932 -16.8162 -16.8160 -16.7707 -16.7704 -16.7011 -16.7001 -16.6564 -16.6558 -6.9197 -6.9194 -6.8818 -6.8815 -5.9968 -5.9961 -5.8195 -5.8187 -4.4139 -4.4137 -4.2390 -4.2385 -4.2259 -4.2250 -4.1994 -4.1981 -2.1857 -2.1854 -1.9587 -1.9563 -1.8905 -1.8884 -1.8275 -1.8270 -1.5830 -1.5808 -1.4733 -1.4707 -1.4191 -1.4158 -1.2040 -1.2035 -0.8631 -0.8625 -0.8531 -0.8521 0.1469 0.1473 0.2036 0.2045 0.4903 0.4921 0.5529 0.5529 0.5773 0.5777 0.6171 0.6179 9.4346 9.4354 9.6560 9.6561 10.1401 10.1406 10.1720 10.1730 10.8614 10.8626 11.0019 11.0024 k =-0.4997 0.5000 0.0466 ( 6556 PWs) bands (ev): -19.2691 -19.2690 -19.2590 -19.2590 -17.0997 -17.0988 -17.0940 -17.0931 -16.8161 -16.8157 -16.7712 -16.7708 -16.7010 -16.6995 -16.6568 -16.6559 -6.9193 -6.9189 -6.8819 -6.8814 -5.9955 -5.9945 -5.8202 -5.8190 -4.4140 -4.4136 -4.2396 -4.2389 -4.2270 -4.2256 -4.2018 -4.1997 -2.1828 -2.1823 -1.9596 -1.9561 -1.8942 -1.8911 -1.8266 -1.8260 -1.5974 -1.5949 -1.4686 -1.4650 -1.4020 -1.3976 -1.2117 -1.2110 -0.8646 -0.8637 -0.8472 -0.8458 0.1476 0.1482 0.2014 0.2029 0.4897 0.4925 0.5469 0.5471 0.5765 0.5770 0.6201 0.6212 9.4414 9.4426 9.6626 9.6626 10.1459 10.1466 10.1769 10.1785 10.8578 10.8595 11.0109 11.0116 k =-0.4997 0.5000 0.0621 ( 6556 PWs) bands (ev): -19.2690 -19.2689 -19.2591 -19.2590 -17.0997 -17.0986 -17.0942 -17.0929 -16.8159 -16.8155 -16.7718 -16.7713 -16.7007 -16.6987 -16.6572 -16.6561 -6.9188 -6.9182 -6.8819 -6.8813 -5.9937 -5.9923 -5.8211 -5.8194 -4.4140 -4.4135 -4.2403 -4.2394 -4.2287 -4.2267 -4.2049 -4.2020 -2.1789 -2.1782 -1.9608 -1.9562 -1.8989 -1.8949 -1.8252 -1.8247 -1.6133 -1.6110 -1.4620 -1.4576 -1.3816 -1.3765 -1.2219 -1.2210 -0.8666 -0.8655 -0.8395 -0.8377 0.1487 0.1495 0.1986 0.2005 0.4890 0.4926 0.5393 0.5398 0.5757 0.5762 0.6234 0.6249 9.4510 9.4525 9.6717 9.6717 10.1540 10.1548 10.1839 10.1860 10.8535 10.8556 11.0227 11.0235 k =-0.4997 0.5000 0.0777 ( 6564 PWs) bands (ev): -19.2689 -19.2688 -19.2592 -19.2591 -17.0997 -17.0983 -17.0943 -17.0928 -16.8157 -16.8151 -16.7727 -16.7721 -16.7003 -16.6978 -16.6578 -16.6563 -6.9181 -6.9173 -6.8820 -6.8812 -5.9914 -5.9896 -5.8223 -5.8201 -4.4139 -4.4134 -4.2412 -4.2401 -4.2309 -4.2283 -4.2085 -4.2048 -2.1738 -2.1729 -1.9623 -1.9567 -1.9045 -1.8996 -1.8233 -1.8231 -1.6294 -1.6278 -1.4538 -1.4486 -1.3593 -1.3536 -1.2341 -1.2332 -0.8691 -0.8677 -0.8304 -0.8282 0.1500 0.1511 0.1953 0.1975 0.4880 0.4925 0.5305 0.5314 0.5748 0.5753 0.6269 0.6286 9.4632 9.4651 9.6833 9.6833 10.1644 10.1654 10.1928 10.1954 10.8489 10.8513 11.0369 11.0376 k =-0.4997 0.5000 0.0932 ( 6540 PWs) bands (ev): -19.2688 -19.2686 -19.2594 -19.2592 -17.0997 -17.0980 -17.0944 -17.0926 -16.8153 -16.8147 -16.7736 -16.7730 -16.6997 -16.6968 -16.6584 -16.6566 -6.9172 -6.9163 -6.8820 -6.8811 -5.9884 -5.9864 -5.8236 -5.8211 -4.4138 -4.4131 -4.2423 -4.2409 -4.2337 -4.2305 -4.2125 -4.2080 -2.1677 -2.1666 -1.9641 -1.9577 -1.9109 -1.9051 -1.8213 -1.8209 -1.6451 -1.6443 -1.4441 -1.4382 -1.3360 -1.3299 -1.2480 -1.2471 -0.8719 -0.8703 -0.8203 -0.8178 0.1517 0.1531 0.1914 0.1941 0.4867 0.4919 0.5210 0.5223 0.5741 0.5745 0.6301 0.6322 9.4781 9.4804 9.6973 9.6973 10.1771 10.1783 10.2036 10.2068 10.8443 10.8470 11.0518 11.0520 k =-0.4997 0.5000 0.1087 ( 6532 PWs) bands (ev): -19.2686 -19.2684 -19.2595 -19.2593 -17.0997 -17.0977 -17.0946 -17.0925 -16.8150 -16.8142 -16.7747 -16.7740 -16.6990 -16.6957 -16.6591 -16.6570 -6.9161 -6.9151 -6.8821 -6.8810 -5.9850 -5.9826 -5.8251 -5.8222 -4.4135 -4.4127 -4.2434 -4.2419 -4.2372 -4.2337 -4.2165 -4.2114 -2.1606 -2.1594 -1.9663 -1.9594 -1.9177 -1.9112 -1.8194 -1.8179 -1.6600 -1.6596 -1.4331 -1.4266 -1.3123 -1.3060 -1.2631 -1.2624 -0.8749 -0.8732 -0.8097 -0.8069 0.1537 0.1553 0.1872 0.1902 0.4848 0.4908 0.5108 0.5125 0.5736 0.5741 0.6331 0.6354 9.4956 9.4982 9.7136 9.7136 10.1920 10.1934 10.2162 10.2200 10.8397 10.8426 11.0516 11.0531 k =-0.4997 0.5000 0.1243 ( 6524 PWs) bands (ev): -19.2685 -19.2682 -19.2597 -19.2595 -17.0996 -17.0974 -17.0947 -17.0923 -16.8145 -16.8137 -16.7759 -16.7752 -16.6981 -16.6945 -16.6598 -16.6575 -6.9150 -6.9138 -6.8822 -6.8810 -5.9811 -5.9784 -5.8270 -5.8237 -4.4131 -4.4122 -4.2447 -4.2433 -4.2413 -4.2379 -4.2202 -4.2147 -2.1526 -2.1513 -1.9690 -1.9616 -1.9248 -1.9177 -1.8178 -1.8148 -1.6745 -1.6726 -1.4210 -1.4140 -1.2888 -1.2853 -1.2785 -1.2758 -0.8781 -0.8762 -0.7989 -0.7959 0.1558 0.1578 0.1828 0.1861 0.4821 0.4888 0.5003 0.5023 0.5735 0.5740 0.6356 0.6382 9.5154 9.5184 9.7320 9.7320 10.2093 10.2108 10.2305 10.2348 10.8352 10.8384 11.0467 11.0476 k =-0.4997 0.5000 0.1398 ( 6524 PWs) bands (ev): -19.2683 -19.2680 -19.2599 -19.2596 -17.0995 -17.0971 -17.0948 -17.0922 -16.8140 -16.8131 -16.7771 -16.7765 -16.6972 -16.6933 -16.6607 -16.6581 -6.9137 -6.9124 -6.8823 -6.8810 -5.9768 -5.9737 -5.8290 -5.8254 -4.4126 -4.4116 -4.2476 -4.2466 -4.2435 -4.2430 -4.2233 -4.2178 -2.1438 -2.1424 -1.9721 -1.9645 -1.9320 -1.9243 -1.8167 -1.8118 -1.6871 -1.6835 -1.4082 -1.4007 -1.2972 -1.2957 -1.2652 -1.2571 -0.8812 -0.8792 -0.7885 -0.7853 0.1582 0.1605 0.1783 0.1819 0.4785 0.4860 0.4896 0.4919 0.5738 0.5746 0.6377 0.6405 9.5376 9.5408 9.7523 9.7523 10.2287 10.2304 10.2463 10.2512 10.8309 10.8343 11.0407 11.0417 k =-0.4997 0.5000 0.1554 ( 6526 PWs) bands (ev): -19.2681 -19.2678 -19.2601 -19.2598 -17.0994 -17.0967 -17.0950 -17.0921 -16.8134 -16.8125 -16.7785 -16.7778 -16.6962 -16.6919 -16.6616 -16.6587 -6.9123 -6.9109 -6.8825 -6.8810 -5.9720 -5.9687 -5.8314 -5.8274 -4.4118 -4.4107 -4.2538 -4.2514 -4.2461 -4.2447 -4.2260 -4.2208 -2.1342 -2.1327 -1.9757 -1.9679 -1.9392 -1.9309 -1.8168 -1.8096 -1.6973 -1.6915 -1.3952 -1.3874 -1.3137 -1.3127 -1.2428 -1.2345 -0.8839 -0.8819 -0.7786 -0.7753 0.1606 0.1634 0.1740 0.1778 0.4731 0.4796 0.4805 0.4833 0.5747 0.5757 0.6393 0.6423 9.5619 9.5654 9.7743 9.7743 10.2503 10.2521 10.2635 10.2690 10.8267 10.8303 11.0337 11.0348 k =-0.4997 0.5000 0.1709 ( 6528 PWs) bands (ev): -19.2678 -19.2675 -19.2603 -19.2600 -17.0993 -17.0964 -17.0951 -17.0920 -16.8127 -16.8117 -16.7799 -16.7793 -16.6950 -16.6906 -16.6626 -16.6595 -6.9108 -6.9092 -6.8827 -6.8811 -5.9668 -5.9632 -5.8340 -5.8298 -4.4107 -4.4095 -4.2609 -4.2587 -4.2476 -4.2457 -4.2285 -4.2236 -2.1241 -2.1225 -1.9797 -1.9719 -1.9462 -1.9373 -1.8186 -1.8091 -1.7040 -1.6963 -1.3832 -1.3756 -1.3288 -1.3286 -1.2218 -1.2131 -0.8860 -0.8840 -0.7697 -0.7662 0.1628 0.1663 0.1701 0.1740 0.4644 0.4701 0.4724 0.4784 0.5762 0.5774 0.6405 0.6436 9.5882 9.5920 9.7976 9.7977 10.2739 10.2758 10.2820 10.2882 10.8227 10.8264 11.0257 11.0269 k =-0.4997 0.5000 0.1864 ( 6548 PWs) bands (ev): -19.2676 -19.2673 -19.2606 -19.2602 -17.0992 -17.0960 -17.0952 -17.0919 -16.8120 -16.8110 -16.7814 -16.7809 -16.6938 -16.6891 -16.6636 -16.6603 -6.9092 -6.9076 -6.8829 -6.8813 -5.9613 -5.9574 -5.8370 -5.8324 -4.4093 -4.4080 -4.2686 -4.2669 -4.2487 -4.2466 -4.2307 -4.2262 -2.1135 -2.1119 -1.9840 -1.9762 -1.9528 -1.9434 -1.8226 -1.8112 -1.7067 -1.6975 -1.3767 -1.3715 -1.3388 -1.3360 -1.2025 -1.1935 -0.8872 -0.8852 -0.7619 -0.7583 0.1636 0.1681 0.1682 0.1716 0.4540 0.4596 0.4662 0.4731 0.5783 0.5798 0.6411 0.6443 9.6162 9.6203 9.8219 9.8220 10.2988 10.3014 10.3023 10.3087 10.8188 10.8228 11.0165 11.0179 k =-0.4997 0.5000 0.2020 ( 6550 PWs) bands (ev): -19.2673 -19.2670 -19.2608 -19.2605 -17.0990 -17.0957 -17.0953 -17.0918 -16.8112 -16.8101 -16.7829 -16.7825 -16.6926 -16.6877 -16.6647 -16.6611 -6.9076 -6.9058 -6.8832 -6.8815 -5.9555 -5.9513 -5.8402 -5.8354 -4.4075 -4.4062 -4.2768 -4.2755 -4.2497 -4.2474 -4.2329 -4.2286 -2.1026 -2.1009 -1.9885 -1.9808 -1.9588 -1.9488 -1.8287 -1.8161 -1.7051 -1.6951 -1.3837 -1.3818 -1.3353 -1.3288 -1.1856 -1.1762 -0.8870 -0.8851 -0.7556 -0.7519 0.1614 0.1664 0.1694 0.1733 0.4434 0.4495 0.4597 0.4672 0.5809 0.5827 0.6412 0.6446 9.6458 9.6502 9.8467 9.8468 10.3208 10.3266 10.3285 10.3322 10.8151 10.8193 11.0061 11.0076 k =-0.4997 0.5000 0.2175 ( 6520 PWs) bands (ev): -19.2670 -19.2667 -19.2611 -19.2607 -17.0988 -17.0955 -17.0953 -17.0918 -16.8103 -16.8092 -16.7845 -16.7841 -16.6912 -16.6862 -16.6659 -16.6621 -6.9059 -6.9040 -6.8836 -6.8818 -5.9494 -5.9450 -5.8438 -5.8388 -4.4054 -4.4039 -4.2854 -4.2845 -4.2505 -4.2481 -4.2350 -4.2309 -2.0915 -2.0898 -1.9931 -1.9856 -1.9641 -1.9535 -1.8366 -1.8235 -1.6995 -1.6895 -1.3994 -1.3984 -1.3231 -1.3151 -1.1716 -1.1618 -0.8850 -0.8831 -0.7508 -0.7470 0.1590 0.1642 0.1715 0.1760 0.4332 0.4398 0.4529 0.4607 0.5839 0.5860 0.6409 0.6444 9.6767 9.6813 9.8714 9.8715 10.3420 10.3494 10.3580 10.3608 10.8117 10.8162 10.9941 10.9957 k =-0.4997 0.5000 0.2330 ( 6520 PWs) bands (ev): -19.2667 -19.2663 -19.2614 -19.2610 -17.0986 -17.0956 -17.0950 -17.0918 -16.8093 -16.8082 -16.7860 -16.7858 -16.6899 -16.6847 -16.6671 -16.6631 -6.9042 -6.9022 -6.8841 -6.8822 -5.9431 -5.9384 -5.8477 -5.8425 -4.4027 -4.4012 -4.2942 -4.2937 -4.2512 -4.2487 -4.2370 -4.2332 -2.0804 -2.0788 -1.9976 -1.9904 -1.9683 -1.9573 -1.8459 -1.8328 -1.6909 -1.6813 -1.4175 -1.4167 -1.3083 -1.2997 -1.1609 -1.1507 -0.8809 -0.8790 -0.7478 -0.7440 0.1571 0.1625 0.1735 0.1785 0.4236 0.4309 0.4458 0.4539 0.5873 0.5897 0.6401 0.6437 9.7085 9.7133 9.8951 9.8954 10.3637 10.3719 10.3894 10.3921 10.8089 10.8137 10.9798 10.9816 k =-0.4997 0.5000 0.2486 ( 6516 PWs) bands (ev): -19.2664 -19.2660 -19.2617 -19.2613 -17.0984 -17.0958 -17.0946 -17.0918 -16.8083 -16.8072 -16.7876 -16.7875 -16.6885 -16.6832 -16.6683 -16.6641 -6.9025 -6.9005 -6.8847 -6.8827 -5.9366 -5.9317 -5.8520 -5.8465 -4.3996 -4.3981 -4.3031 -4.3030 -4.2517 -4.2491 -4.2389 -4.2353 -2.0697 -2.0681 -2.0021 -1.9951 -1.9714 -1.9598 -1.8563 -1.8434 -1.6799 -1.6710 -1.4365 -1.4355 -1.2928 -1.2837 -1.1538 -1.1434 -0.8745 -0.8727 -0.7467 -0.7429 0.1560 0.1617 0.1750 0.1806 0.4150 0.4229 0.4385 0.4468 0.5910 0.5937 0.6388 0.6425 9.7410 9.7458 9.9169 9.9174 10.3860 10.3948 10.4224 10.4250 10.8068 10.8120 10.9615 10.9633 k =-0.4997 0.5000 0.2641 ( 6532 PWs) bands (ev): -19.2661 -19.2657 -19.2620 -19.2616 -17.0982 -17.0959 -17.0943 -17.0918 -16.8071 -16.8061 -16.7892 -16.7892 -16.6870 -16.6817 -16.6696 -16.6652 -6.9008 -6.8987 -6.8854 -6.8833 -5.9300 -5.9249 -5.8566 -5.8510 -4.3960 -4.3944 -4.3123 -4.3121 -4.2520 -4.2493 -4.2408 -4.2373 -2.0596 -2.0581 -2.0064 -1.9997 -1.9728 -1.9608 -1.8674 -1.8548 -1.6671 -1.6590 -1.4557 -1.4545 -1.2770 -1.2676 -1.1504 -1.1398 -0.8660 -0.8641 -0.7476 -0.7438 0.1557 0.1617 0.1760 0.1821 0.4076 0.4161 0.4311 0.4397 0.5950 0.5979 0.6371 0.6408 9.7735 9.7785 9.9359 9.9366 10.4093 10.4185 10.4566 10.4591 10.8058 10.8113 10.9355 10.9363 k =-0.4997 0.5000 0.2796 ( 6530 PWs) bands (ev): -19.2657 -19.2653 -19.2623 -19.2619 -17.0980 -17.0961 -17.0939 -17.0919 -16.8060 -16.8049 -16.7909 -16.7908 -16.6856 -16.6802 -16.6710 -16.6664 -6.8991 -6.8969 -6.8861 -6.8840 -5.9233 -5.9180 -5.8615 -5.8558 -4.3918 -4.3902 -4.3214 -4.3210 -4.2521 -4.2494 -4.2426 -4.2392 -2.0506 -2.0490 -2.0104 -2.0040 -1.9723 -1.9599 -1.8789 -1.8666 -1.6529 -1.6457 -1.4751 -1.4735 -1.2612 -1.2516 -1.1504 -1.1397 -0.8555 -0.8534 -0.7505 -0.7468 0.1563 0.1625 0.1763 0.1829 0.4015 0.4106 0.4238 0.4327 0.5990 0.6021 0.6350 0.6388 9.8058 9.8108 9.9507 9.9519 10.4338 10.4432 10.4913 10.4938 10.8057 10.8116 10.8973 10.8986 k =-0.4997 0.5000 0.2952 ( 6528 PWs) bands (ev): -19.2654 -19.2650 -19.2626 -19.2622 -17.0978 -17.0963 -17.0936 -17.0920 -16.8047 -16.8037 -16.7926 -16.7924 -16.6841 -16.6787 -16.6724 -16.6676 -6.8974 -6.8952 -6.8870 -6.8848 -5.9166 -5.9111 -5.8667 -5.8609 -4.3871 -4.3855 -4.3303 -4.3296 -4.2520 -4.2492 -4.2443 -4.2410 -2.0430 -2.0412 -2.0141 -2.0080 -1.9696 -1.9569 -1.8907 -1.8786 -1.6377 -1.6312 -1.4944 -1.4924 -1.2456 -1.2358 -1.1536 -1.1429 -0.8436 -0.8413 -0.7554 -0.7517 0.1576 0.1641 0.1759 0.1829 0.3970 0.4066 0.4168 0.4260 0.6032 0.6065 0.6325 0.6363 9.8371 9.8420 9.9605 9.9621 10.4599 10.4694 10.5254 10.5279 10.8061 10.8125 10.8530 10.8558 k =-0.4997 0.5000 0.3107 ( 6518 PWs) bands (ev): -19.2651 -19.2646 -19.2630 -19.2625 -17.0976 -17.0964 -17.0933 -17.0921 -16.8034 -16.8025 -16.7942 -16.7939 -16.6826 -16.6773 -16.6738 -16.6689 -6.8958 -6.8936 -6.8880 -6.8857 -5.9099 -5.9043 -5.8722 -5.8663 -4.3818 -4.3802 -4.3390 -4.3381 -4.2517 -4.2488 -4.2458 -4.2426 -2.0370 -2.0347 -2.0175 -2.0117 -1.9644 -1.9518 -1.9026 -1.8907 -1.6216 -1.6159 -1.5135 -1.5112 -1.2305 -1.2205 -1.1595 -1.1488 -0.8308 -0.8283 -0.7622 -0.7586 0.1596 0.1664 0.1747 0.1820 0.3943 0.4042 0.4104 0.4199 0.6074 0.6108 0.6296 0.6335 9.8668 9.8716 9.9642 9.9664 10.4880 10.4971 10.5564 10.5592 10.8054 10.8114 10.8123 10.8148 k =-0.4997 0.5000 0.3262 ( 6516 PWs) bands (ev): -19.2647 -19.2643 -19.2633 -19.2629 -17.0974 -17.0966 -17.0931 -17.0922 -16.8020 -16.8011 -16.7959 -16.7954 -16.6811 -16.6758 -16.6752 -16.6702 -6.8943 -6.8921 -6.8890 -6.8868 -5.9032 -5.8975 -5.8780 -5.8721 -4.3760 -4.3744 -4.3473 -4.3462 -4.2512 -4.2483 -4.2472 -4.2441 -2.0325 -2.0296 -2.0205 -2.0152 -1.9570 -1.9446 -1.9145 -1.9027 -1.6048 -1.5997 -1.5325 -1.5297 -1.2159 -1.2058 -1.1677 -1.1571 -0.8176 -0.8149 -0.7707 -0.7672 0.1621 0.1691 0.1729 0.1804 0.3933 0.4033 0.4046 0.4144 0.6115 0.6150 0.6265 0.6303 9.8941 9.8987 9.9617 9.9644 10.5175 10.5262 10.5793 10.5829 10.7800 10.7827 10.8006 10.8071 k =-0.4997 0.5000 0.3418 ( 6516 PWs) bands (ev): -19.2644 -19.2639 -19.2637 -19.2632 -17.0972 -17.0968 -17.0928 -17.0924 -16.8005 -16.7998 -16.7975 -16.7969 -16.6796 -16.6767 -16.6744 -16.6716 -6.8929 -6.8906 -6.8902 -6.8879 -5.8966 -5.8908 -5.8840 -5.8781 -4.3695 -4.3681 -4.3552 -4.3539 -4.2504 -4.2485 -4.2475 -4.2454 -2.0290 -2.0254 -2.0233 -2.0185 -1.9478 -1.9357 -1.9262 -1.9144 -1.5874 -1.5830 -1.5511 -1.5478 -1.2021 -1.1919 -1.1777 -1.1672 -0.8046 -0.8017 -0.7808 -0.7775 0.1649 0.1705 0.1721 0.1780 0.3940 0.3998 0.4041 0.4098 0.6155 0.6192 0.6230 0.6268 9.9181 9.9224 9.9528 9.9561 10.5471 10.5550 10.5858 10.5909 10.7672 10.7681 10.7886 10.7931 k =-0.4997 0.5000 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k =-0.4997 0.5000 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k =-0.5000 0.4997 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k =-0.5000 0.4997 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 k =-0.5000 0.4997 0.3418 ( 6516 PWs) bands (ev): -19.2644 -19.2639 -19.2637 -19.2632 -17.0972 -17.0968 -17.0928 -17.0924 -16.8005 -16.7998 -16.7975 -16.7969 -16.6796 -16.6767 -16.6744 -16.6716 -6.8928 -6.8906 -6.8902 -6.8879 -5.8966 -5.8908 -5.8840 -5.8781 -4.3695 -4.3681 -4.3552 -4.3539 -4.2504 -4.2485 -4.2475 -4.2454 -2.0290 -2.0254 -2.0233 -2.0185 -1.9478 -1.9357 -1.9262 -1.9144 -1.5874 -1.5830 -1.5511 -1.5478 -1.2021 -1.1919 -1.1777 -1.1672 -0.8046 -0.8017 -0.7808 -0.7775 0.1649 0.1705 0.1721 0.1780 0.3940 0.3998 0.4041 0.4098 0.6155 0.6192 0.6230 0.6268 9.9181 9.9224 9.9528 9.9561 10.5471 10.5550 10.5859 10.5909 10.7672 10.7681 10.7886 10.7931 k =-0.5000 0.4997 0.3262 ( 6516 PWs) bands (ev): -19.2647 -19.2643 -19.2633 -19.2629 -17.0974 -17.0966 -17.0931 -17.0922 -16.8020 -16.8011 -16.7959 -16.7954 -16.6811 -16.6758 -16.6752 -16.6702 -6.8943 -6.8921 -6.8890 -6.8868 -5.9032 -5.8975 -5.8780 -5.8721 -4.3760 -4.3744 -4.3473 -4.3462 -4.2512 -4.2483 -4.2472 -4.2441 -2.0325 -2.0296 -2.0205 -2.0152 -1.9570 -1.9446 -1.9145 -1.9027 -1.6048 -1.5997 -1.5325 -1.5297 -1.2159 -1.2058 -1.1677 -1.1571 -0.8176 -0.8149 -0.7707 -0.7672 0.1621 0.1691 0.1729 0.1804 0.3933 0.4033 0.4046 0.4144 0.6115 0.6150 0.6265 0.6303 9.8941 9.8987 9.9617 9.9644 10.5175 10.5262 10.5793 10.5829 10.7800 10.7827 10.8006 10.8071 k =-0.5000 0.4997 0.3107 ( 6520 PWs) bands (ev): -19.2651 -19.2646 -19.2630 -19.2626 -17.0976 -17.0964 -17.0933 -17.0921 -16.8034 -16.8025 -16.7942 -16.7939 -16.6826 -16.6773 -16.6738 -16.6689 -6.8958 -6.8936 -6.8880 -6.8857 -5.9099 -5.9043 -5.8722 -5.8663 -4.3818 -4.3802 -4.3390 -4.3381 -4.2517 -4.2488 -4.2458 -4.2426 -2.0370 -2.0347 -2.0175 -2.0117 -1.9644 -1.9518 -1.9026 -1.8907 -1.6216 -1.6159 -1.5135 -1.5112 -1.2305 -1.2205 -1.1595 -1.1488 -0.8308 -0.8283 -0.7622 -0.7586 0.1596 0.1664 0.1747 0.1820 0.3943 0.4042 0.4104 0.4199 0.6074 0.6108 0.6296 0.6335 9.8668 9.8716 9.9642 9.9664 10.4880 10.4971 10.5564 10.5592 10.8054 10.8114 10.8123 10.8148 k =-0.5000 0.4997 0.2952 ( 6528 PWs) bands (ev): -19.2654 -19.2650 -19.2626 -19.2622 -17.0978 -17.0963 -17.0936 -17.0920 -16.8047 -16.8037 -16.7926 -16.7924 -16.6841 -16.6787 -16.6724 -16.6676 -6.8974 -6.8952 -6.8870 -6.8848 -5.9166 -5.9111 -5.8667 -5.8609 -4.3871 -4.3855 -4.3303 -4.3296 -4.2520 -4.2492 -4.2443 -4.2410 -2.0430 -2.0412 -2.0141 -2.0080 -1.9696 -1.9569 -1.8907 -1.8786 -1.6377 -1.6312 -1.4944 -1.4924 -1.2456 -1.2358 -1.1536 -1.1429 -0.8436 -0.8413 -0.7554 -0.7517 0.1576 0.1641 0.1759 0.1829 0.3970 0.4066 0.4168 0.4260 0.6032 0.6065 0.6325 0.6363 9.8371 9.8420 9.9605 9.9621 10.4600 10.4694 10.5253 10.5279 10.8061 10.8125 10.8530 10.8558 k =-0.5000 0.4997 0.2796 ( 6528 PWs) bands (ev): -19.2657 -19.2653 -19.2623 -19.2619 -17.0980 -17.0961 -17.0939 -17.0919 -16.8060 -16.8049 -16.7909 -16.7908 -16.6856 -16.6802 -16.6710 -16.6664 -6.8991 -6.8969 -6.8861 -6.8840 -5.9233 -5.9180 -5.8615 -5.8558 -4.3918 -4.3902 -4.3214 -4.3209 -4.2521 -4.2494 -4.2426 -4.2392 -2.0506 -2.0490 -2.0104 -2.0040 -1.9723 -1.9599 -1.8789 -1.8666 -1.6529 -1.6457 -1.4751 -1.4735 -1.2612 -1.2516 -1.1504 -1.1397 -0.8555 -0.8534 -0.7505 -0.7468 0.1563 0.1625 0.1763 0.1829 0.4015 0.4106 0.4238 0.4327 0.5990 0.6021 0.6350 0.6388 9.8058 9.8108 9.9507 9.9519 10.4338 10.4432 10.4913 10.4938 10.8057 10.8116 10.8973 10.8986 k =-0.5000 0.4997 0.2641 ( 6532 PWs) bands (ev): -19.2661 -19.2657 -19.2620 -19.2616 -17.0982 -17.0959 -17.0943 -17.0918 -16.8071 -16.8061 -16.7892 -16.7892 -16.6870 -16.6817 -16.6696 -16.6652 -6.9008 -6.8987 -6.8854 -6.8833 -5.9300 -5.9249 -5.8566 -5.8510 -4.3960 -4.3944 -4.3123 -4.3121 -4.2520 -4.2493 -4.2408 -4.2373 -2.0596 -2.0581 -2.0064 -1.9997 -1.9728 -1.9608 -1.8674 -1.8548 -1.6671 -1.6590 -1.4557 -1.4545 -1.2770 -1.2676 -1.1504 -1.1398 -0.8660 -0.8641 -0.7476 -0.7438 0.1557 0.1617 0.1760 0.1821 0.4076 0.4161 0.4311 0.4397 0.5950 0.5979 0.6371 0.6408 9.7735 9.7785 9.9359 9.9366 10.4093 10.4185 10.4565 10.4591 10.8058 10.8113 10.9355 10.9363 k =-0.5000 0.4997 0.2486 ( 6516 PWs) bands (ev): -19.2664 -19.2660 -19.2617 -19.2613 -17.0984 -17.0958 -17.0946 -17.0918 -16.8083 -16.8072 -16.7876 -16.7875 -16.6885 -16.6832 -16.6683 -16.6641 -6.9025 -6.9005 -6.8847 -6.8827 -5.9366 -5.9317 -5.8520 -5.8465 -4.3996 -4.3981 -4.3031 -4.3030 -4.2517 -4.2491 -4.2389 -4.2353 -2.0697 -2.0681 -2.0021 -1.9951 -1.9714 -1.9598 -1.8563 -1.8434 -1.6799 -1.6710 -1.4365 -1.4355 -1.2928 -1.2837 -1.1538 -1.1434 -0.8745 -0.8727 -0.7467 -0.7429 0.1560 0.1617 0.1750 0.1806 0.4150 0.4229 0.4385 0.4468 0.5910 0.5937 0.6388 0.6425 9.7410 9.7458 9.9169 9.9174 10.3860 10.3948 10.4224 10.4250 10.8068 10.8120 10.9615 10.9633 k =-0.5000 0.4997 0.2330 ( 6520 PWs) bands (ev): -19.2667 -19.2663 -19.2614 -19.2610 -17.0986 -17.0956 -17.0950 -17.0918 -16.8093 -16.8082 -16.7860 -16.7858 -16.6899 -16.6847 -16.6671 -16.6631 -6.9042 -6.9022 -6.8841 -6.8822 -5.9431 -5.9384 -5.8477 -5.8425 -4.4027 -4.4012 -4.2942 -4.2937 -4.2512 -4.2487 -4.2370 -4.2332 -2.0804 -2.0788 -1.9976 -1.9904 -1.9683 -1.9573 -1.8459 -1.8328 -1.6909 -1.6813 -1.4175 -1.4167 -1.3083 -1.2997 -1.1609 -1.1507 -0.8809 -0.8790 -0.7478 -0.7440 0.1571 0.1625 0.1735 0.1785 0.4236 0.4309 0.4458 0.4539 0.5873 0.5897 0.6401 0.6437 9.7085 9.7133 9.8951 9.8954 10.3637 10.3719 10.3894 10.3920 10.8089 10.8137 10.9798 10.9816 k =-0.5000 0.4997 0.2175 ( 6520 PWs) bands (ev): -19.2670 -19.2667 -19.2611 -19.2607 -17.0988 -17.0955 -17.0953 -17.0918 -16.8103 -16.8092 -16.7845 -16.7841 -16.6912 -16.6862 -16.6659 -16.6621 -6.9059 -6.9040 -6.8836 -6.8818 -5.9494 -5.9450 -5.8438 -5.8388 -4.4054 -4.4039 -4.2854 -4.2845 -4.2505 -4.2481 -4.2350 -4.2309 -2.0915 -2.0898 -1.9931 -1.9856 -1.9641 -1.9535 -1.8366 -1.8235 -1.6995 -1.6895 -1.3994 -1.3984 -1.3231 -1.3151 -1.1716 -1.1618 -0.8850 -0.8831 -0.7508 -0.7470 0.1590 0.1642 0.1715 0.1760 0.4332 0.4398 0.4529 0.4607 0.5839 0.5860 0.6409 0.6444 9.6767 9.6813 9.8714 9.8715 10.3420 10.3495 10.3580 10.3608 10.8117 10.8162 10.9941 10.9957 k =-0.5000 0.4997 0.2020 ( 6550 PWs) bands (ev): -19.2673 -19.2670 -19.2608 -19.2605 -17.0990 -17.0957 -17.0954 -17.0918 -16.8112 -16.8101 -16.7829 -16.7825 -16.6926 -16.6877 -16.6647 -16.6611 -6.9076 -6.9058 -6.8832 -6.8815 -5.9555 -5.9513 -5.8402 -5.8354 -4.4075 -4.4062 -4.2768 -4.2755 -4.2497 -4.2474 -4.2329 -4.2286 -2.1026 -2.1009 -1.9885 -1.9808 -1.9588 -1.9488 -1.8287 -1.8161 -1.7051 -1.6951 -1.3837 -1.3818 -1.3353 -1.3288 -1.1856 -1.1762 -0.8870 -0.8851 -0.7556 -0.7519 0.1614 0.1664 0.1694 0.1733 0.4434 0.4495 0.4597 0.4672 0.5809 0.5827 0.6412 0.6446 9.6458 9.6502 9.8467 9.8468 10.3209 10.3267 10.3284 10.3321 10.8151 10.8193 11.0061 11.0076 k =-0.5000 0.4997 0.1864 ( 6548 PWs) bands (ev): -19.2676 -19.2673 -19.2606 -19.2602 -17.0992 -17.0960 -17.0952 -17.0919 -16.8120 -16.8110 -16.7814 -16.7809 -16.6938 -16.6891 -16.6636 -16.6603 -6.9092 -6.9076 -6.8829 -6.8812 -5.9613 -5.9574 -5.8370 -5.8324 -4.4093 -4.4080 -4.2686 -4.2669 -4.2487 -4.2466 -4.2307 -4.2262 -2.1135 -2.1119 -1.9840 -1.9762 -1.9528 -1.9434 -1.8226 -1.8112 -1.7067 -1.6975 -1.3767 -1.3715 -1.3388 -1.3360 -1.2025 -1.1935 -0.8872 -0.8852 -0.7619 -0.7583 0.1636 0.1681 0.1682 0.1716 0.4540 0.4596 0.4661 0.4731 0.5783 0.5798 0.6411 0.6443 9.6162 9.6203 9.8219 9.8220 10.2989 10.3014 10.3022 10.3086 10.8188 10.8228 11.0165 11.0179 k =-0.5000 0.4997 0.1709 ( 6528 PWs) bands (ev): -19.2678 -19.2675 -19.2603 -19.2600 -17.0993 -17.0964 -17.0951 -17.0920 -16.8127 -16.8117 -16.7799 -16.7793 -16.6950 -16.6906 -16.6626 -16.6595 -6.9108 -6.9092 -6.8827 -6.8811 -5.9669 -5.9632 -5.8340 -5.8298 -4.4107 -4.4095 -4.2609 -4.2587 -4.2476 -4.2457 -4.2285 -4.2236 -2.1241 -2.1225 -1.9797 -1.9719 -1.9462 -1.9373 -1.8186 -1.8091 -1.7040 -1.6963 -1.3832 -1.3756 -1.3288 -1.3286 -1.2218 -1.2131 -0.8860 -0.8840 -0.7697 -0.7662 0.1628 0.1663 0.1701 0.1740 0.4645 0.4701 0.4724 0.4784 0.5762 0.5774 0.6405 0.6436 9.5882 9.5920 9.7976 9.7977 10.2740 10.2759 10.2820 10.2881 10.8227 10.8264 11.0257 11.0269 k =-0.5000 0.4997 0.1554 ( 6528 PWs) bands (ev): -19.2681 -19.2678 -19.2601 -19.2598 -17.0994 -17.0967 -17.0950 -17.0921 -16.8134 -16.8125 -16.7785 -16.7778 -16.6962 -16.6919 -16.6616 -16.6587 -6.9123 -6.9109 -6.8825 -6.8810 -5.9720 -5.9687 -5.8314 -5.8274 -4.4118 -4.4107 -4.2538 -4.2514 -4.2461 -4.2447 -4.2260 -4.2208 -2.1342 -2.1327 -1.9757 -1.9679 -1.9393 -1.9309 -1.8168 -1.8096 -1.6973 -1.6915 -1.3952 -1.3874 -1.3137 -1.3127 -1.2428 -1.2345 -0.8839 -0.8819 -0.7786 -0.7753 0.1606 0.1634 0.1740 0.1778 0.4731 0.4798 0.4803 0.4833 0.5747 0.5757 0.6393 0.6423 9.5619 9.5655 9.7743 9.7743 10.2503 10.2521 10.2635 10.2690 10.8267 10.8303 11.0337 11.0348 k =-0.5000 0.4997 0.1398 ( 6524 PWs) bands (ev): -19.2683 -19.2680 -19.2599 -19.2596 -17.0995 -17.0971 -17.0948 -17.0922 -16.8140 -16.8131 -16.7771 -16.7765 -16.6972 -16.6933 -16.6607 -16.6581 -6.9137 -6.9124 -6.8823 -6.8810 -5.9768 -5.9737 -5.8290 -5.8254 -4.4126 -4.4116 -4.2476 -4.2466 -4.2435 -4.2430 -4.2233 -4.2178 -2.1438 -2.1424 -1.9721 -1.9645 -1.9320 -1.9243 -1.8167 -1.8118 -1.6871 -1.6835 -1.4082 -1.4007 -1.2972 -1.2957 -1.2652 -1.2571 -0.8812 -0.8792 -0.7885 -0.7853 0.1582 0.1605 0.1783 0.1819 0.4785 0.4860 0.4896 0.4919 0.5738 0.5746 0.6377 0.6405 9.5376 9.5408 9.7523 9.7523 10.2287 10.2304 10.2463 10.2512 10.8309 10.8343 11.0407 11.0417 k =-0.5000 0.4997 0.1243 ( 6524 PWs) bands (ev): -19.2685 -19.2682 -19.2597 -19.2595 -17.0996 -17.0974 -17.0947 -17.0923 -16.8145 -16.8137 -16.7759 -16.7752 -16.6981 -16.6945 -16.6598 -16.6575 -6.9150 -6.9138 -6.8822 -6.8810 -5.9811 -5.9784 -5.8270 -5.8237 -4.4131 -4.4122 -4.2447 -4.2433 -4.2413 -4.2379 -4.2202 -4.2147 -2.1526 -2.1513 -1.9690 -1.9616 -1.9248 -1.9177 -1.8178 -1.8148 -1.6745 -1.6726 -1.4210 -1.4140 -1.2888 -1.2853 -1.2785 -1.2758 -0.8781 -0.8762 -0.7989 -0.7959 0.1558 0.1578 0.1828 0.1861 0.4821 0.4889 0.5003 0.5023 0.5735 0.5740 0.6356 0.6382 9.5154 9.5184 9.7320 9.7320 10.2093 10.2108 10.2305 10.2348 10.8352 10.8384 11.0467 11.0476 k =-0.5000 0.4997 0.1087 ( 6532 PWs) bands (ev): -19.2686 -19.2684 -19.2595 -19.2593 -17.0997 -17.0977 -17.0946 -17.0925 -16.8150 -16.8142 -16.7747 -16.7740 -16.6990 -16.6957 -16.6591 -16.6570 -6.9161 -6.9151 -6.8821 -6.8810 -5.9850 -5.9826 -5.8251 -5.8222 -4.4135 -4.4127 -4.2434 -4.2419 -4.2372 -4.2337 -4.2165 -4.2114 -2.1606 -2.1594 -1.9663 -1.9594 -1.9177 -1.9112 -1.8194 -1.8179 -1.6600 -1.6596 -1.4331 -1.4266 -1.3123 -1.3060 -1.2631 -1.2624 -0.8749 -0.8732 -0.8097 -0.8069 0.1537 0.1553 0.1872 0.1902 0.4848 0.4908 0.5108 0.5125 0.5736 0.5741 0.6331 0.6354 9.4956 9.4982 9.7136 9.7136 10.1921 10.1934 10.2162 10.2199 10.8397 10.8426 11.0515 11.0525 k =-0.5000 0.4997 0.0932 ( 6540 PWs) bands (ev): -19.2688 -19.2686 -19.2594 -19.2592 -17.0997 -17.0980 -17.0944 -17.0926 -16.8153 -16.8147 -16.7736 -16.7730 -16.6997 -16.6968 -16.6584 -16.6566 -6.9172 -6.9163 -6.8820 -6.8811 -5.9884 -5.9864 -5.8236 -5.8211 -4.4138 -4.4131 -4.2423 -4.2409 -4.2337 -4.2305 -4.2125 -4.2080 -2.1677 -2.1666 -1.9641 -1.9577 -1.9109 -1.9051 -1.8213 -1.8209 -1.6451 -1.6443 -1.4441 -1.4382 -1.3360 -1.3299 -1.2480 -1.2471 -0.8719 -0.8703 -0.8203 -0.8178 0.1517 0.1531 0.1914 0.1941 0.4867 0.4919 0.5210 0.5223 0.5741 0.5745 0.6301 0.6322 9.4781 9.4804 9.6973 9.6973 10.1771 10.1783 10.2036 10.2068 10.8443 10.8470 11.0518 11.0521 k =-0.5000 0.4997 0.0777 ( 6564 PWs) bands (ev): -19.2689 -19.2688 -19.2592 -19.2591 -17.0997 -17.0983 -17.0943 -17.0928 -16.8157 -16.8151 -16.7727 -16.7721 -16.7003 -16.6978 -16.6578 -16.6563 -6.9181 -6.9173 -6.8820 -6.8812 -5.9914 -5.9896 -5.8223 -5.8201 -4.4139 -4.4134 -4.2412 -4.2401 -4.2309 -4.2283 -4.2085 -4.2048 -2.1738 -2.1729 -1.9623 -1.9567 -1.9045 -1.8996 -1.8233 -1.8231 -1.6294 -1.6278 -1.4538 -1.4486 -1.3593 -1.3536 -1.2341 -1.2332 -0.8691 -0.8677 -0.8304 -0.8282 0.1500 0.1511 0.1953 0.1975 0.4880 0.4925 0.5305 0.5314 0.5748 0.5753 0.6269 0.6286 9.4633 9.4651 9.6833 9.6833 10.1644 10.1654 10.1928 10.1954 10.8489 10.8514 11.0369 11.0377 k =-0.5000 0.4997 0.0621 ( 6556 PWs) bands (ev): -19.2690 -19.2689 -19.2591 -19.2590 -17.0997 -17.0986 -17.0942 -17.0929 -16.8159 -16.8155 -16.7718 -16.7713 -16.7007 -16.6987 -16.6572 -16.6561 -6.9188 -6.9182 -6.8819 -6.8813 -5.9937 -5.9923 -5.8211 -5.8194 -4.4140 -4.4135 -4.2403 -4.2394 -4.2287 -4.2267 -4.2049 -4.2020 -2.1789 -2.1782 -1.9608 -1.9562 -1.8989 -1.8949 -1.8252 -1.8247 -1.6133 -1.6110 -1.4620 -1.4576 -1.3816 -1.3765 -1.2219 -1.2210 -0.8666 -0.8655 -0.8395 -0.8377 0.1487 0.1495 0.1986 0.2005 0.4890 0.4926 0.5393 0.5398 0.5757 0.5762 0.6234 0.6249 9.4510 9.4525 9.6717 9.6717 10.1540 10.1548 10.1839 10.1859 10.8535 10.8556 11.0227 11.0235 k =-0.5000 0.4997 0.0466 ( 6556 PWs) bands (ev): -19.2691 -19.2690 -19.2590 -19.2590 -17.0997 -17.0988 -17.0940 -17.0931 -16.8161 -16.8157 -16.7712 -16.7708 -16.7010 -16.6995 -16.6568 -16.6559 -6.9193 -6.9189 -6.8819 -6.8814 -5.9955 -5.9945 -5.8202 -5.8190 -4.4140 -4.4136 -4.2396 -4.2389 -4.2270 -4.2256 -4.2018 -4.1997 -2.1828 -2.1823 -1.9596 -1.9561 -1.8942 -1.8911 -1.8266 -1.8260 -1.5974 -1.5949 -1.4686 -1.4650 -1.4020 -1.3976 -1.2117 -1.2110 -0.8646 -0.8637 -0.8472 -0.8458 0.1476 0.1482 0.2014 0.2029 0.4897 0.4925 0.5469 0.5471 0.5765 0.5770 0.6201 0.6212 9.4414 9.4426 9.6626 9.6626 10.1459 10.1466 10.1769 10.1784 10.8578 10.8595 11.0109 11.0116 k =-0.5000 0.4997 0.0311 ( 6572 PWs) bands (ev): -19.2691 -19.2691 -19.2590 -19.2589 -17.0996 -17.0990 -17.0939 -17.0933 -16.8162 -16.8160 -16.7707 -16.7704 -16.7011 -16.7001 -16.6564 -16.6558 -6.9197 -6.9194 -6.8818 -6.8815 -5.9968 -5.9961 -5.8195 -5.8187 -4.4139 -4.4137 -4.2390 -4.2385 -4.2259 -4.2250 -4.1994 -4.1981 -2.1857 -2.1854 -1.9587 -1.9563 -1.8905 -1.8884 -1.8275 -1.8270 -1.5830 -1.5808 -1.4733 -1.4707 -1.4191 -1.4158 -1.2040 -1.2035 -0.8631 -0.8625 -0.8531 -0.8521 0.1469 0.1473 0.2036 0.2045 0.4903 0.4921 0.5529 0.5529 0.5773 0.5777 0.6171 0.6179 9.4346 9.4354 9.6560 9.6561 10.1402 10.1406 10.1720 10.1730 10.8614 10.8626 11.0019 11.0024 k =-0.5000 0.4997 0.0155 ( 6572 PWs) bands (ev): -19.2692 -19.2691 -19.2589 -19.2589 -17.0995 -17.0992 -17.0937 -17.0934 -16.8162 -16.8161 -16.7703 -16.7702 -16.7011 -16.7006 -16.6562 -16.6559 -6.9199 -6.9198 -6.8818 -6.8816 -5.9975 -5.9972 -5.8190 -5.8186 -4.4139 -4.4138 -4.2385 -4.2383 -4.2251 -4.2247 -4.1978 -4.1972 -2.1874 -2.1872 -1.9579 -1.9567 -1.8880 -1.8869 -1.8279 -1.8276 -1.5722 -1.5707 -1.4760 -1.4746 -1.4307 -1.4289 -1.1992 -1.1989 -0.8621 -0.8618 -0.8566 -0.8562 0.1464 0.1466 0.2050 0.2054 0.4907 0.4917 0.5568 0.5568 0.5778 0.5781 0.6150 0.6154 9.4306 9.4310 9.6521 9.6521 10.1368 10.1370 10.1691 10.1696 10.8640 10.8646 10.9963 10.9966 k =-0.5000 0.4997-0.0000 ( 6572 PWs) bands (ev): -19.2692 -19.2692 -19.2589 -19.2589 -17.0994 -17.0994 -17.0936 -17.0936 -16.8162 -16.8162 -16.7702 -16.7702 -16.7009 -16.7009 -16.6560 -16.6560 -6.9199 -6.9199 -6.8817 -6.8817 -5.9976 -5.9976 -5.8187 -5.8187 -4.4138 -4.4138 -4.2383 -4.2383 -4.2247 -4.2247 -4.1971 -4.1971 -2.1879 -2.1879 -1.9572 -1.9572 -1.8868 -1.8868 -1.8279 -1.8279 -1.5675 -1.5675 -1.4764 -1.4764 -1.4344 -1.4344 -1.1974 -1.1974 -0.8617 -0.8617 -0.8577 -0.8577 0.1464 0.1464 0.2056 0.2056 0.4912 0.4912 0.5582 0.5582 0.5781 0.5781 0.6144 0.6144 9.4294 9.4294 9.6508 9.6508 10.1357 10.1357 10.1683 10.1683 10.8651 10.8651 10.9945 10.9945 k = 0.0000 0.0000 0.3573 ( 6582 PWs) bands (ev): -19.4019 -19.4019 -19.4019 -19.4019 -16.9745 -16.9745 -16.9745 -16.9745 -16.6615 -16.6615 -16.6577 -16.6577 -16.6530 -16.6530 -16.6494 -16.6494 -7.7732 -7.7732 -7.7729 -7.7729 -5.2281 -5.2281 -5.2278 -5.2278 -4.6510 -4.6510 -4.6452 -4.6452 -4.5363 -4.5363 -4.5313 -4.5313 -1.9086 -1.9086 -1.9076 -1.9076 -1.5348 -1.5348 -1.5340 -1.5340 -1.2269 -1.2269 -1.2255 -1.2255 -1.0375 -1.0375 -1.0331 -1.0331 -1.0201 -1.0201 -1.0158 -1.0158 0.3866 0.3866 0.3958 0.3958 0.6125 0.6125 0.6194 0.6194 0.7148 0.7148 0.7169 0.7169 7.9681 7.9681 7.9682 7.9682 10.5140 10.5140 10.5295 10.5295 10.6896 10.6896 10.7018 10.7018 k =-0.0111 0.0111 0.3573 ( 6570 PWs) bands (ev): -19.4018 -19.4018 -19.4017 -19.4017 -16.9747 -16.9747 -16.9745 -16.9745 -16.6619 -16.6619 -16.6579 -16.6579 -16.6531 -16.6531 -16.6491 -16.6491 -7.7724 -7.7724 -7.7722 -7.7722 -5.2283 -5.2283 -5.2277 -5.2277 -4.6510 -4.6510 -4.6451 -4.6451 -4.5362 -4.5362 -4.5312 -4.5312 -1.9088 -1.9088 -1.9078 -1.9078 -1.5363 -1.5363 -1.5350 -1.5350 -1.2270 -1.2270 -1.2257 -1.2257 -1.0431 -1.0431 -1.0303 -1.0303 -1.0215 -1.0215 -1.0094 -1.0094 0.3858 0.3858 0.3950 0.3950 0.6114 0.6114 0.6185 0.6185 0.7155 0.7155 0.7181 0.7181 7.9698 7.9698 7.9698 7.9698 10.5114 10.5114 10.5269 10.5269 10.6920 10.6920 10.7044 10.7044 k =-0.0222 0.0222 0.3573 ( 6546 PWs) bands (ev): -19.4013 -19.4013 -19.4013 -19.4013 -16.9752 -16.9752 -16.9748 -16.9748 -16.6631 -16.6631 -16.6586 -16.6586 -16.6531 -16.6531 -16.6485 -16.6485 -7.7703 -7.7703 -7.7700 -7.7700 -5.2286 -5.2286 -5.2276 -5.2276 -4.6508 -4.6508 -4.6449 -4.6449 -4.5358 -4.5358 -4.5307 -4.5307 -1.9097 -1.9097 -1.9084 -1.9084 -1.5402 -1.5402 -1.5381 -1.5381 -1.2275 -1.2275 -1.2263 -1.2263 -1.0496 -1.0496 -1.0346 -1.0346 -1.0137 -1.0137 -1.0000 -1.0000 0.3833 0.3833 0.3924 0.3924 0.6081 0.6081 0.6158 0.6158 0.7178 0.7178 0.7214 0.7214 7.9748 7.9748 7.9748 7.9748 10.5041 10.5041 10.5195 10.5195 10.6989 10.6989 10.7116 10.7116 k =-0.0333 0.0333 0.3573 ( 6544 PWs) bands (ev): -19.4005 -19.4005 -19.4005 -19.4005 -16.9759 -16.9759 -16.9753 -16.9753 -16.6647 -16.6647 -16.6599 -16.6599 -16.6529 -16.6529 -16.6479 -16.6479 -7.7666 -7.7666 -7.7663 -7.7663 -5.2290 -5.2290 -5.2275 -5.2275 -4.6506 -4.6506 -4.6445 -4.6445 -4.5351 -4.5351 -4.5301 -4.5301 -1.9111 -1.9111 -1.9096 -1.9096 -1.5464 -1.5464 -1.5434 -1.5434 -1.2285 -1.2285 -1.2273 -1.2273 -1.0553 -1.0553 -1.0398 -1.0398 -1.0029 -1.0029 -0.9895 -0.9895 0.3792 0.3792 0.3882 0.3882 0.6030 0.6030 0.6114 0.6114 0.7217 0.7217 0.7262 0.7262 7.9830 7.9830 7.9831 7.9831 10.4929 10.4929 10.5083 10.5083 10.7093 10.7093 10.7225 10.7225 k =-0.0444 0.0444 0.3573 ( 6544 PWs) bands (ev): -19.3994 -19.3994 -19.3994 -19.3994 -16.9769 -16.9769 -16.9760 -16.9760 -16.6668 -16.6668 -16.6618 -16.6618 -16.6525 -16.6525 -16.6473 -16.6473 -7.7615 -7.7615 -7.7612 -7.7612 -5.2295 -5.2295 -5.2276 -5.2276 -4.6502 -4.6502 -4.6439 -4.6439 -4.5342 -4.5342 -4.5291 -4.5291 -1.9131 -1.9131 -1.9114 -1.9114 -1.5544 -1.5544 -1.5505 -1.5505 -1.2300 -1.2300 -1.2290 -1.2290 -1.0600 -1.0600 -1.0444 -1.0444 -0.9911 -0.9911 -0.9781 -0.9781 0.3735 0.3735 0.3824 0.3824 0.5966 0.5966 0.6056 0.6056 0.7269 0.7269 0.7321 0.7321 7.9946 7.9946 7.9947 7.9947 10.4791 10.4791 10.4943 10.4943 10.7224 10.7224 10.7359 10.7359 k =-0.0556 0.0555 0.3573 ( 6538 PWs) bands (ev): -19.3980 -19.3980 -19.3980 -19.3980 -16.9781 -16.9781 -16.9770 -16.9770 -16.6691 -16.6691 -16.6640 -16.6640 -16.6521 -16.6521 -16.6468 -16.6468 -7.7550 -7.7550 -7.7547 -7.7547 -5.2302 -5.2302 -5.2279 -5.2279 -4.6497 -4.6497 -4.6431 -4.6431 -4.5330 -4.5330 -4.5278 -4.5278 -1.9159 -1.9159 -1.9138 -1.9138 -1.5637 -1.5637 -1.5591 -1.5591 -1.2321 -1.2321 -1.2313 -1.2313 -1.0637 -1.0637 -1.0481 -1.0481 -0.9785 -0.9785 -0.9660 -0.9660 0.3663 0.3663 0.3750 0.3750 0.5891 0.5891 0.5985 0.5985 0.7332 0.7332 0.7387 0.7387 8.0094 8.0094 8.0096 8.0096 10.4635 10.4635 10.4785 10.4785 10.7372 10.7372 10.7510 10.7510 k =-0.0667 0.0666 0.3573 ( 6540 PWs) bands (ev): -19.3964 -19.3964 -19.3963 -19.3963 -16.9796 -16.9796 -16.9783 -16.9783 -16.6717 -16.6717 -16.6666 -16.6666 -16.6519 -16.6519 -16.6465 -16.6465 -7.7470 -7.7470 -7.7467 -7.7467 -5.2312 -5.2312 -5.2284 -5.2284 -4.6490 -4.6490 -4.6421 -4.6421 -4.5315 -4.5315 -4.5263 -4.5263 -1.9195 -1.9195 -1.9170 -1.9170 -1.5741 -1.5741 -1.5687 -1.5687 -1.2350 -1.2350 -1.2343 -1.2343 -1.0665 -1.0665 -1.0509 -1.0509 -0.9653 -0.9653 -0.9533 -0.9533 0.3578 0.3578 0.3663 0.3663 0.5808 0.5808 0.5905 0.5905 0.7401 0.7401 0.7458 0.7458 8.0275 8.0275 8.0277 8.0277 10.4468 10.4468 10.4616 10.4616 10.7532 10.7532 10.7672 10.7672 k =-0.0778 0.0777 0.3573 ( 6536 PWs) bands (ev): -19.3944 -19.3944 -19.3943 -19.3943 -16.9813 -16.9813 -16.9798 -16.9798 -16.6745 -16.6745 -16.6695 -16.6695 -16.6517 -16.6517 -16.6463 -16.6463 -7.7377 -7.7377 -7.7373 -7.7373 -5.2325 -5.2325 -5.2293 -5.2293 -4.6479 -4.6479 -4.6408 -4.6408 -4.5296 -4.5296 -4.5244 -4.5244 -1.9240 -1.9240 -1.9212 -1.9212 -1.5849 -1.5849 -1.5790 -1.5790 -1.2387 -1.2387 -1.2381 -1.2381 -1.0685 -1.0685 -1.0531 -1.0531 -0.9518 -0.9518 -0.9403 -0.9403 0.3480 0.3480 0.3563 0.3563 0.5718 0.5718 0.5816 0.5816 0.7474 0.7474 0.7532 0.7532 8.0488 8.0488 8.0491 8.0491 10.4294 10.4294 10.4440 10.4440 10.7699 10.7699 10.7839 10.7839 k =-0.0889 0.0888 0.3573 ( 6536 PWs) bands (ev): -19.3921 -19.3921 -19.3920 -19.3920 -16.9832 -16.9832 -16.9815 -16.9815 -16.6776 -16.6776 -16.6725 -16.6725 -16.6517 -16.6517 -16.6462 -16.6462 -7.7269 -7.7269 -7.7266 -7.7266 -5.2343 -5.2343 -5.2307 -5.2307 -4.6465 -4.6465 -4.6391 -4.6391 -4.5275 -4.5275 -4.5221 -4.5221 -1.9294 -1.9294 -1.9263 -1.9263 -1.5959 -1.5959 -1.5893 -1.5893 -1.2433 -1.2433 -1.2428 -1.2428 -1.0697 -1.0697 -1.0545 -1.0545 -0.9381 -0.9381 -0.9271 -0.9271 0.3371 0.3371 0.3452 0.3452 0.5623 0.5623 0.5720 0.5720 0.7550 0.7550 0.7607 0.7607 8.0734 8.0734 8.0737 8.0737 10.4118 10.4118 10.4261 10.4261 10.7869 10.7869 10.8010 10.8010 k =-0.1000 0.0999 0.3573 ( 6544 PWs) bands (ev): -19.3896 -19.3896 -19.3895 -19.3895 -16.9854 -16.9854 -16.9834 -16.9834 -16.6809 -16.6809 -16.6758 -16.6758 -16.6518 -16.6518 -16.6463 -16.6463 -7.7148 -7.7148 -7.7144 -7.7144 -5.2367 -5.2367 -5.2327 -5.2327 -4.6447 -4.6447 -4.6371 -4.6371 -4.5249 -4.5249 -4.5196 -4.5196 -1.9360 -1.9360 -1.9325 -1.9325 -1.6065 -1.6065 -1.5995 -1.5995 -1.2490 -1.2490 -1.2482 -1.2482 -1.0703 -1.0703 -1.0553 -1.0553 -0.9245 -0.9245 -0.9138 -0.9138 0.3251 0.3251 0.3330 0.3330 0.5523 0.5523 0.5619 0.5619 0.7626 0.7626 0.7682 0.7682 8.1011 8.1011 8.1015 8.1015 10.3941 10.3941 10.4082 10.4082 10.8041 10.8041 10.8182 10.8182 k =-0.1111 0.1110 0.3573 ( 6540 PWs) bands (ev): -19.3868 -19.3868 -19.3866 -19.3866 -16.9877 -16.9877 -16.9856 -16.9856 -16.6844 -16.6844 -16.6793 -16.6793 -16.6520 -16.6520 -16.6464 -16.6464 -7.7013 -7.7013 -7.7009 -7.7009 -5.2398 -5.2398 -5.2354 -5.2354 -4.6424 -4.6424 -4.6345 -4.6345 -4.5220 -4.5220 -4.5166 -4.5166 -1.9437 -1.9437 -1.9399 -1.9399 -1.6165 -1.6165 -1.6091 -1.6091 -1.2555 -1.2555 -1.2546 -1.2546 -1.0702 -1.0702 -1.0556 -1.0556 -0.9110 -0.9110 -0.9007 -0.9007 0.3123 0.3123 0.3200 0.3200 0.5419 0.5419 0.5514 0.5514 0.7702 0.7702 0.7756 0.7756 8.1319 8.1319 8.1324 8.1324 10.3766 10.3766 10.3905 10.3905 10.8212 10.8212 10.8352 10.8352 k =-0.1222 0.1221 0.3573 ( 6550 PWs) bands (ev): -19.3837 -19.3837 -19.3836 -19.3836 -16.9903 -16.9903 -16.9880 -16.9880 -16.6881 -16.6881 -16.6831 -16.6831 -16.6523 -16.6523 -16.6468 -16.6468 -7.6865 -7.6865 -7.6861 -7.6861 -5.2438 -5.2438 -5.2391 -5.2391 -4.6394 -4.6394 -4.6315 -4.6315 -4.5187 -4.5187 -4.5133 -4.5133 -1.9526 -1.9526 -1.9486 -1.9486 -1.6257 -1.6257 -1.6179 -1.6179 -1.2630 -1.2630 -1.2618 -1.2618 -1.0697 -1.0697 -1.0553 -1.0553 -0.8978 -0.8978 -0.8878 -0.8878 0.2988 0.2988 0.3063 0.3063 0.5312 0.5312 0.5405 0.5405 0.7775 0.7775 0.7828 0.7828 8.1659 8.1659 8.1663 8.1663 10.3595 10.3595 10.3731 10.3731 10.8380 10.8380 10.8519 10.8519 k =-0.1333 0.1333 0.3573 ( 6546 PWs) bands (ev): -19.3804 -19.3804 -19.3803 -19.3803 -16.9931 -16.9931 -16.9906 -16.9906 -16.6919 -16.6919 -16.6869 -16.6869 -16.6528 -16.6528 -16.6472 -16.6472 -7.6704 -7.6704 -7.6700 -7.6700 -5.2487 -5.2487 -5.2437 -5.2437 -4.6358 -4.6358 -4.6277 -4.6277 -4.5150 -4.5150 -4.5096 -4.5096 -1.9626 -1.9626 -1.9583 -1.9583 -1.6337 -1.6337 -1.6257 -1.6257 -1.2714 -1.2714 -1.2699 -1.2699 -1.0687 -1.0687 -1.0547 -1.0547 -0.8851 -0.8851 -0.8754 -0.8754 0.2847 0.2847 0.2919 0.2919 0.5202 0.5202 0.5293 0.5293 0.7845 0.7845 0.7896 0.7896 8.2029 8.2029 8.2034 8.2034 10.3429 10.3429 10.3562 10.3562 10.8542 10.8542 10.8679 10.8679 k =-0.1444 0.1444 0.3573 ( 6550 PWs) bands (ev): -19.3769 -19.3769 -19.3767 -19.3767 -16.9961 -16.9961 -16.9934 -16.9934 -16.6959 -16.6959 -16.6910 -16.6910 -16.6533 -16.6533 -16.6477 -16.6477 -7.6530 -7.6530 -7.6526 -7.6526 -5.2548 -5.2548 -5.2495 -5.2495 -4.6314 -4.6314 -4.6233 -4.6233 -4.5109 -4.5109 -4.5056 -4.5056 -1.9736 -1.9736 -1.9691 -1.9691 -1.6407 -1.6407 -1.6325 -1.6325 -1.2808 -1.2808 -1.2790 -1.2790 -1.0674 -1.0674 -1.0537 -1.0537 -0.8731 -0.8731 -0.8636 -0.8636 0.2702 0.2702 0.2772 0.2772 0.5090 0.5090 0.5179 0.5179 0.7911 0.7911 0.7960 0.7960 8.2428 8.2428 8.2434 8.2434 10.3270 10.3270 10.3400 10.3400 10.8695 10.8695 10.8830 10.8830 k =-0.1556 0.1555 0.3573 ( 6538 PWs) bands (ev): -19.3732 -19.3732 -19.3730 -19.3730 -16.9993 -16.9993 -16.9964 -16.9964 -16.7001 -16.7001 -16.6952 -16.6952 -16.6539 -16.6539 -16.6484 -16.6484 -7.6344 -7.6344 -7.6339 -7.6339 -5.2621 -5.2621 -5.2566 -5.2566 -4.6262 -4.6262 -4.6181 -4.6181 -4.5064 -4.5064 -4.5011 -4.5011 -1.9854 -1.9854 -1.9809 -1.9809 -1.6465 -1.6465 -1.6382 -1.6382 -1.2910 -1.2910 -1.2889 -1.2889 -1.0658 -1.0658 -1.0524 -1.0524 -0.8617 -0.8617 -0.8524 -0.8524 0.2554 0.2554 0.2622 0.2622 0.4977 0.4977 0.5063 0.5063 0.7972 0.7972 0.8020 0.8020 8.2857 8.2857 8.2864 8.2864 10.3118 10.3118 10.3245 10.3245 10.8838 10.8838 10.8969 10.8969 k =-0.1667 0.1666 0.3573 ( 6538 PWs) bands (ev): -19.3692 -19.3692 -19.3691 -19.3691 -17.0026 -17.0026 -16.9995 -16.9995 -16.7044 -16.7044 -16.6995 -16.6995 -16.6546 -16.6546 -16.6491 -16.6491 -7.6145 -7.6145 -7.6141 -7.6141 -5.2708 -5.2708 -5.2651 -5.2651 -4.6201 -4.6201 -4.6120 -4.6120 -4.5015 -4.5015 -4.4962 -4.4962 -1.9980 -1.9980 -1.9933 -1.9933 -1.6512 -1.6512 -1.6430 -1.6430 -1.3022 -1.3022 -1.2997 -1.2997 -1.0639 -1.0639 -1.0508 -1.0508 -0.8511 -0.8511 -0.8419 -0.8419 0.2404 0.2404 0.2471 0.2471 0.4864 0.4864 0.4948 0.4948 0.8028 0.8028 0.8073 0.8073 8.3315 8.3315 8.3322 8.3322 10.2974 10.2974 10.3098 10.3098 10.8965 10.8965 10.9092 10.9092 k =-0.1778 0.1777 0.3573 ( 6542 PWs) bands (ev): -19.3651 -19.3651 -19.3649 -19.3649 -17.0061 -17.0061 -17.0029 -17.0029 -16.7088 -16.7088 -16.7039 -16.7039 -16.6554 -16.6554 -16.6499 -16.6499 -7.5935 -7.5935 -7.5931 -7.5931 -5.2809 -5.2809 -5.2751 -5.2751 -4.6130 -4.6130 -4.6050 -4.6050 -4.4962 -4.4962 -4.4910 -4.4910 -2.0110 -2.0110 -2.0063 -2.0063 -1.6549 -1.6549 -1.6468 -1.6468 -1.3142 -1.3142 -1.3113 -1.3113 -1.0618 -1.0618 -1.0491 -1.0491 -0.8414 -0.8414 -0.8323 -0.8323 0.2255 0.2255 0.2321 0.2321 0.4751 0.4751 0.4832 0.4832 0.8076 0.8076 0.8121 0.8121 8.3800 8.3800 8.3808 8.3808 10.2839 10.2839 10.2960 10.2960 10.9073 10.9073 10.9195 10.9195 k =-0.1889 0.1888 0.3573 ( 6550 PWs) bands (ev): -19.3609 -19.3609 -19.3607 -19.3607 -17.0098 -17.0098 -17.0064 -17.0064 -16.7133 -16.7133 -16.7085 -16.7085 -16.6563 -16.6563 -16.6507 -16.6507 -7.5714 -7.5714 -7.5709 -7.5709 -5.2926 -5.2926 -5.2867 -5.2867 -4.6049 -4.6049 -4.5971 -4.5971 -4.4905 -4.4905 -4.4853 -4.4853 -2.0242 -2.0242 -2.0195 -2.0195 -1.6578 -1.6578 -1.6498 -1.6498 -1.3271 -1.3271 -1.3238 -1.3238 -1.0596 -1.0596 -1.0472 -1.0472 -0.8327 -0.8327 -0.8237 -0.8237 0.2109 0.2109 0.2174 0.2174 0.4639 0.4639 0.4718 0.4718 0.8117 0.8117 0.8160 0.8160 8.4313 8.4313 8.4321 8.4321 10.2713 10.2713 10.2832 10.2832 10.9160 10.9160 10.9275 10.9275 k =-0.2000 0.1999 0.3573 ( 6554 PWs) bands (ev): -19.3565 -19.3565 -19.3562 -19.3562 -17.0135 -17.0135 -17.0100 -17.0100 -16.7179 -16.7179 -16.7131 -16.7131 -16.6572 -16.6572 -16.6517 -16.6517 -7.5482 -7.5482 -7.5477 -7.5477 -5.3059 -5.3059 -5.2999 -5.2999 -4.5959 -4.5959 -4.5883 -4.5883 -4.4844 -4.4844 -4.4793 -4.4793 -2.0374 -2.0374 -2.0328 -2.0328 -1.6600 -1.6600 -1.6521 -1.6521 -1.3409 -1.3409 -1.3372 -1.3372 -1.0574 -1.0574 -1.0453 -1.0453 -0.8249 -0.8249 -0.8160 -0.8160 0.1966 0.1966 0.2031 0.2031 0.4528 0.4528 0.4605 0.4605 0.8151 0.8151 0.8192 0.8192 8.4852 8.4852 8.4861 8.4861 10.2597 10.2597 10.2713 10.2713 10.9222 10.9222 10.9329 10.9329 k =-0.2111 0.2110 0.3573 ( 6544 PWs) bands (ev): -19.3519 -19.3519 -19.3517 -19.3517 -17.0174 -17.0174 -17.0138 -17.0138 -16.7225 -16.7225 -16.7177 -16.7177 -16.6581 -16.6581 -16.6526 -16.6526 -7.5240 -7.5240 -7.5235 -7.5235 -5.3209 -5.3209 -5.3148 -5.3148 -4.5859 -4.5859 -4.5786 -4.5786 -4.4780 -4.4780 -4.4728 -4.4728 -2.0504 -2.0504 -2.0458 -2.0458 -1.6617 -1.6617 -1.6540 -1.6540 -1.3554 -1.3554 -1.3513 -1.3513 -1.0551 -1.0551 -1.0435 -1.0435 -0.8182 -0.8182 -0.8093 -0.8093 0.1830 0.1830 0.1894 0.1894 0.4420 0.4420 0.4496 0.4496 0.8175 0.8175 0.8216 0.8216 8.5416 8.5416 8.5425 8.5425 10.2491 10.2491 10.2604 10.2604 10.9259 10.9259 10.9356 10.9356 k =-0.2222 0.2221 0.3573 ( 6552 PWs) bands (ev): -19.3473 -19.3473 -19.3471 -19.3471 -17.0215 -17.0215 -17.0177 -17.0177 -16.7271 -16.7271 -16.7224 -16.7224 -16.6591 -16.6591 -16.6537 -16.6537 -7.4988 -7.4988 -7.4983 -7.4983 -5.3374 -5.3374 -5.3313 -5.3313 -4.5750 -4.5750 -4.5680 -4.5680 -4.4712 -4.4712 -4.4660 -4.4660 -2.0630 -2.0630 -2.0585 -2.0585 -1.6629 -1.6629 -1.6555 -1.6555 -1.3708 -1.3708 -1.3662 -1.3662 -1.0530 -1.0530 -1.0417 -1.0417 -0.8125 -0.8125 -0.8036 -0.8036 0.1701 0.1701 0.1765 0.1765 0.4316 0.4316 0.4390 0.4390 0.8191 0.8191 0.8230 0.8230 8.6004 8.6004 8.6014 8.6014 10.2395 10.2395 10.2505 10.2505 10.9274 10.9274 10.9358 10.9358 k =-0.2333 0.2332 0.3573 ( 6550 PWs) bands (ev): -19.3426 -19.3426 -19.3423 -19.3423 -17.0256 -17.0256 -17.0217 -17.0217 -16.7318 -16.7318 -16.7271 -16.7271 -16.6602 -16.6602 -16.6547 -16.6547 -7.4727 -7.4727 -7.4722 -7.4722 -5.3556 -5.3556 -5.3495 -5.3495 -4.5633 -4.5633 -4.5566 -4.5566 -4.4640 -4.4640 -4.4588 -4.4588 -2.0750 -2.0750 -2.0706 -2.0706 -1.6639 -1.6639 -1.6567 -1.6567 -1.3869 -1.3869 -1.3819 -1.3819 -1.0512 -1.0512 -1.0402 -1.0402 -0.8078 -0.8078 -0.7990 -0.7990 0.1581 0.1581 0.1646 0.1646 0.4215 0.4215 0.4288 0.4288 0.8197 0.8197 0.8235 0.8235 8.6615 8.6615 8.6626 8.6626 10.2310 10.2310 10.2416 10.2416 10.9270 10.9270 10.9340 10.9340 k =-0.2444 0.2443 0.3573 ( 6546 PWs) bands (ev): -19.3378 -19.3378 -19.3376 -19.3376 -17.0297 -17.0297 -17.0257 -17.0257 -16.7364 -16.7364 -16.7318 -16.7318 -16.6612 -16.6612 -16.6558 -16.6558 -7.4458 -7.4458 -7.4452 -7.4452 -5.3753 -5.3753 -5.3693 -5.3693 -4.5508 -4.5508 -4.5445 -4.5445 -4.4565 -4.4565 -4.4513 -4.4513 -2.0863 -2.0863 -2.0818 -2.0818 -1.6648 -1.6648 -1.6579 -1.6579 -1.4036 -1.4036 -1.3982 -1.3982 -1.0497 -1.0497 -1.0391 -1.0391 -0.8041 -0.8041 -0.7953 -0.7953 0.1472 0.1472 0.1539 0.1539 0.4118 0.4118 0.4190 0.4190 0.8193 0.8193 0.8230 0.8230 8.7248 8.7248 8.7260 8.7260 10.2234 10.2234 10.2337 10.2337 10.9252 10.9252 10.9309 10.9309 k =-0.2556 0.2554 0.3573 ( 6542 PWs) bands (ev): -19.3330 -19.3330 -19.3327 -19.3327 -17.0339 -17.0339 -17.0298 -17.0298 -16.7410 -16.7410 -16.7365 -16.7365 -16.6623 -16.6623 -16.6569 -16.6569 -7.4180 -7.4180 -7.4174 -7.4174 -5.3965 -5.3965 -5.3906 -5.3906 -4.5378 -4.5378 -4.5317 -4.5317 -4.4486 -4.4486 -4.4433 -4.4433 -2.0966 -2.0966 -2.0922 -2.0922 -1.6657 -1.6657 -1.6590 -1.6590 -1.4209 -1.4209 -1.4151 -1.4151 -1.0486 -1.0486 -1.0384 -1.0384 -0.8014 -0.8014 -0.7926 -0.7926 0.1376 0.1376 0.1444 0.1444 0.4027 0.4027 0.4098 0.4098 0.8178 0.8178 0.8215 0.8215 8.7902 8.7902 8.7915 8.7915 10.2169 10.2169 10.2269 10.2269 10.9228 10.9228 10.9271 10.9271 k =-0.2667 0.2665 0.3573 ( 6538 PWs) bands (ev): -19.3282 -19.3282 -19.3279 -19.3279 -17.0382 -17.0382 -17.0340 -17.0340 -16.7455 -16.7455 -16.7411 -16.7411 -16.6634 -16.6634 -16.6580 -16.6580 -7.3896 -7.3896 -7.3889 -7.3889 -5.4192 -5.4192 -5.4133 -5.4133 -4.5242 -4.5242 -4.5186 -4.5186 -4.4404 -4.4404 -4.4349 -4.4349 -2.1059 -2.1059 -2.1016 -2.1016 -1.6667 -1.6667 -1.6604 -1.6604 -1.4387 -1.4387 -1.4324 -1.4324 -1.0482 -1.0482 -1.0383 -1.0383 -0.7995 -0.7995 -0.7907 -0.7907 0.1294 0.1294 0.1364 0.1364 0.3941 0.3941 0.4012 0.4012 0.8153 0.8153 0.8189 0.8189 8.8575 8.8575 8.8588 8.8588 10.2114 10.2114 10.2210 10.2210 10.9203 10.9203 10.9232 10.9232 k =-0.2778 0.2776 0.3573 ( 6528 PWs) bands (ev): -19.3234 -19.3234 -19.3231 -19.3231 -17.0425 -17.0425 -17.0382 -17.0382 -16.7500 -16.7500 -16.7456 -16.7456 -16.6645 -16.6645 -16.6591 -16.6591 -7.3605 -7.3605 -7.3598 -7.3598 -5.4432 -5.4432 -5.4373 -5.4373 -4.5104 -4.5104 -4.5051 -4.5051 -4.4317 -4.4317 -4.4262 -4.4262 -2.1140 -2.1140 -2.1098 -2.1098 -1.6682 -1.6682 -1.6621 -1.6621 -1.4567 -1.4567 -1.4499 -1.4499 -1.0486 -1.0486 -1.0389 -1.0389 -0.7983 -0.7983 -0.7896 -0.7896 0.1227 0.1227 0.1299 0.1299 0.3861 0.3861 0.3933 0.3933 0.8117 0.8117 0.8152 0.8152 8.9264 8.9264 8.9278 8.9278 10.2069 10.2069 10.2162 10.2162 10.9180 10.9180 10.9197 10.9197 k =-0.2889 0.2887 0.3573 ( 6530 PWs) bands (ev): -19.3186 -19.3186 -19.3183 -19.3183 -17.0467 -17.0467 -17.0424 -17.0424 -16.7543 -16.7543 -16.7501 -16.7501 -16.6656 -16.6656 -16.6602 -16.6602 -7.3309 -7.3309 -7.3301 -7.3301 -5.4684 -5.4684 -5.4626 -5.4626 -4.4965 -4.4965 -4.4916 -4.4916 -4.4226 -4.4226 -4.4169 -4.4169 -2.1210 -2.1210 -2.1167 -2.1167 -1.6701 -1.6701 -1.6643 -1.6643 -1.4747 -1.4747 -1.4676 -1.4676 -1.0499 -1.0499 -1.0405 -1.0405 -0.7978 -0.7978 -0.7892 -0.7892 0.1175 0.1175 0.1249 0.1249 0.3788 0.3788 0.3861 0.3861 0.8070 0.8070 0.8105 0.8105 8.9969 8.9969 8.9984 8.9984 10.2034 10.2034 10.2124 10.2124 10.9160 10.9160 10.9171 10.9171 k =-0.3000 0.2998 0.3573 ( 6524 PWs) bands (ev): -19.3139 -19.3139 -19.3136 -19.3136 -17.0509 -17.0509 -17.0466 -17.0466 -16.7586 -16.7586 -16.7544 -16.7544 -16.6667 -16.6667 -16.6613 -16.6613 -7.3008 -7.3008 -7.3000 -7.3000 -5.4946 -5.4946 -5.4889 -5.4889 -4.4827 -4.4827 -4.4782 -4.4782 -4.4130 -4.4130 -4.4072 -4.4072 -2.1266 -2.1266 -2.1224 -2.1224 -1.6729 -1.6729 -1.6674 -1.6674 -1.4924 -1.4924 -1.4850 -1.4850 -1.0523 -1.0523 -1.0431 -1.0431 -0.7977 -0.7977 -0.7892 -0.7892 0.1140 0.1140 0.1216 0.1216 0.3723 0.3723 0.3796 0.3796 0.8012 0.8012 0.8046 0.8046 9.0687 9.0687 9.0702 9.0702 10.2010 10.2010 10.2097 10.2097 10.9142 10.9142 10.9159 10.9159 k =-0.3111 0.3109 0.3573 ( 6530 PWs) bands (ev): -19.3093 -19.3093 -19.3090 -19.3090 -17.0551 -17.0551 -17.0507 -17.0507 -16.7627 -16.7627 -16.7587 -16.7587 -16.6678 -16.6678 -16.6624 -16.6624 -7.2703 -7.2703 -7.2695 -7.2695 -5.5218 -5.5218 -5.5162 -5.5162 -4.4693 -4.4693 -4.4652 -4.4652 -4.4029 -4.4029 -4.3969 -4.3969 -2.1309 -2.1309 -2.1267 -2.1267 -1.6768 -1.6768 -1.6715 -1.6715 -1.5094 -1.5094 -1.5018 -1.5018 -1.0558 -1.0558 -1.0468 -1.0468 -0.7980 -0.7980 -0.7895 -0.7895 0.1119 0.1119 0.1198 0.1198 0.3665 0.3665 0.3739 0.3739 0.7944 0.7944 0.7978 0.7978 9.1414 9.1414 9.1430 9.1430 10.1997 10.1997 10.2080 10.2080 10.9129 10.9129 10.9156 10.9156 k =-0.3222 0.3220 0.3573 ( 6516 PWs) bands (ev): -19.3048 -19.3048 -19.3044 -19.3044 -17.0592 -17.0592 -17.0547 -17.0547 -16.7666 -16.7666 -16.7627 -16.7627 -16.6688 -16.6688 -16.6635 -16.6635 -7.2397 -7.2397 -7.2388 -7.2388 -5.5498 -5.5498 -5.5442 -5.5442 -4.4565 -4.4565 -4.4527 -4.4527 -4.3921 -4.3921 -4.3860 -4.3860 -2.1338 -2.1338 -2.1296 -2.1296 -1.6822 -1.6822 -1.6772 -1.6772 -1.5253 -1.5253 -1.5176 -1.5176 -1.0605 -1.0605 -1.0517 -1.0517 -0.7984 -0.7984 -0.7901 -0.7901 0.1115 0.1115 0.1196 0.1196 0.3616 0.3616 0.3691 0.3691 0.7865 0.7865 0.7898 0.7898 9.2149 9.2149 9.2165 9.2165 10.1996 10.1996 10.2076 10.2076 10.9121 10.9121 10.9158 10.9158 k =-0.3333 0.3331 0.3573 ( 6518 PWs) bands (ev): -19.3004 -19.3004 -19.3000 -19.3000 -17.0632 -17.0632 -17.0587 -17.0587 -16.7704 -16.7704 -16.7667 -16.7667 -16.6698 -16.6698 -16.6645 -16.6645 -7.2089 -7.2089 -7.2080 -7.2080 -5.5783 -5.5783 -5.5728 -5.5728 -4.4445 -4.4445 -4.4410 -4.4410 -4.3807 -4.3807 -4.3746 -4.3746 -2.1352 -2.1352 -2.1311 -2.1311 -1.6895 -1.6895 -1.6848 -1.6848 -1.5394 -1.5394 -1.5319 -1.5319 -1.0666 -1.0666 -1.0578 -1.0578 -0.7988 -0.7988 -0.7906 -0.7906 0.1124 0.1124 0.1208 0.1208 0.3575 0.3575 0.3653 0.3653 0.7777 0.7777 0.7809 0.7809 9.2887 9.2887 9.2904 9.2904 10.2009 10.2009 10.2086 10.2086 10.9113 10.9113 10.9160 10.9160 k =-0.3444 0.3442 0.3573 ( 6514 PWs) bands (ev): -19.2962 -19.2962 -19.2958 -19.2958 -17.0671 -17.0671 -17.0626 -17.0626 -16.7739 -16.7739 -16.7704 -16.7704 -16.6708 -16.6708 -16.6655 -16.6655 -7.1782 -7.1782 -7.1772 -7.1772 -5.6072 -5.6072 -5.6017 -5.6017 -4.4333 -4.4333 -4.4301 -4.4301 -4.3687 -4.3687 -4.3628 -4.3628 -2.1352 -2.1352 -2.1311 -2.1311 -1.6992 -1.6992 -1.6947 -1.6947 -1.5512 -1.5512 -1.5441 -1.5441 -1.0739 -1.0739 -1.0651 -1.0651 -0.7991 -0.7991 -0.7912 -0.7912 0.1146 0.1146 0.1232 0.1232 0.3544 0.3544 0.3624 0.3624 0.7678 0.7678 0.7710 0.7710 9.3623 9.3623 9.3641 9.3641 10.2038 10.2038 10.2112 10.2112 10.9101 10.9101 10.9155 10.9155 k =-0.3556 0.3553 0.3573 ( 6518 PWs) bands (ev): -19.2921 -19.2921 -19.2917 -19.2917 -17.0708 -17.0708 -17.0663 -17.0663 -16.7773 -16.7773 -16.7740 -16.7740 -16.6717 -16.6717 -16.6664 -16.6664 -7.1477 -7.1477 -7.1466 -7.1466 -5.6363 -5.6363 -5.6308 -5.6308 -4.4231 -4.4231 -4.4202 -4.4202 -4.3564 -4.3564 -4.3506 -4.3506 -2.1338 -2.1338 -2.1296 -2.1296 -1.7115 -1.7115 -1.7071 -1.7071 -1.5606 -1.5606 -1.5541 -1.5541 -1.0823 -1.0823 -1.0736 -1.0736 -0.7993 -0.7993 -0.7916 -0.7916 0.1180 0.1180 0.1268 0.1268 0.3524 0.3524 0.3605 0.3605 0.7571 0.7571 0.7602 0.7602 9.4352 9.4352 9.4371 9.4371 10.2085 10.2085 10.2156 10.2156 10.9077 10.9077 10.9135 10.9135 k =-0.3667 0.3664 0.3573 ( 6518 PWs) bands (ev): -19.2882 -19.2882 -19.2879 -19.2879 -17.0743 -17.0743 -17.0698 -17.0698 -16.7805 -16.7805 -16.7774 -16.7774 -16.6726 -16.6726 -16.6673 -16.6673 -7.1177 -7.1177 -7.1165 -7.1165 -5.6653 -5.6653 -5.6599 -5.6599 -4.4138 -4.4138 -4.4112 -4.4112 -4.3438 -4.3438 -4.3382 -4.3382 -2.1309 -2.1309 -2.1267 -2.1267 -1.7263 -1.7263 -1.7218 -1.7218 -1.5674 -1.5674 -1.5617 -1.5617 -1.0918 -1.0918 -1.0830 -1.0830 -0.7993 -0.7993 -0.7919 -0.7919 0.1222 0.1222 0.1312 0.1312 0.3514 0.3514 0.3598 0.3598 0.7456 0.7456 0.7486 0.7486 9.5066 9.5066 9.5087 9.5087 10.2155 10.2155 10.2225 10.2225 10.9038 10.9038 10.9096 10.9096 k =-0.3778 0.3775 0.3573 ( 6518 PWs) bands (ev): -19.2846 -19.2846 -19.2842 -19.2842 -17.0777 -17.0777 -17.0732 -17.0732 -16.7834 -16.7834 -16.7805 -16.7805 -16.6734 -16.6734 -16.6682 -16.6682 -7.0882 -7.0882 -7.0869 -7.0869 -5.6940 -5.6940 -5.6886 -5.6886 -4.4054 -4.4054 -4.4030 -4.4030 -4.3312 -4.3312 -4.3260 -4.3260 -2.1266 -2.1266 -2.1224 -2.1224 -1.7434 -1.7434 -1.7386 -1.7386 -1.5719 -1.5719 -1.5671 -1.5671 -1.1020 -1.1020 -1.0932 -1.0932 -0.7990 -0.7990 -0.7920 -0.7920 0.1271 0.1271 0.1362 0.1362 0.3516 0.3516 0.3601 0.3601 0.7334 0.7334 0.7364 0.7364 9.5758 9.5758 9.5780 9.5780 10.2255 10.2255 10.2322 10.2322 10.8983 10.8983 10.9038 10.9038 k =-0.3889 0.3886 0.3573 ( 6514 PWs) bands (ev): -19.2812 -19.2812 -19.2808 -19.2808 -17.0809 -17.0809 -17.0764 -17.0764 -16.7862 -16.7862 -16.7834 -16.7834 -16.6742 -16.6742 -16.6690 -16.6690 -7.0596 -7.0596 -7.0582 -7.0582 -5.7221 -5.7221 -5.7166 -5.7166 -4.3979 -4.3979 -4.3957 -4.3957 -4.3189 -4.3189 -4.3140 -4.3140 -2.1209 -2.1209 -2.1167 -2.1167 -1.7622 -1.7622 -1.7571 -1.7571 -1.5746 -1.5746 -1.5705 -1.5705 -1.1129 -1.1129 -1.1039 -1.1039 -0.7985 -0.7985 -0.7919 -0.7919 0.1325 0.1325 0.1417 0.1417 0.3529 0.3529 0.3617 0.3617 0.7206 0.7206 0.7235 0.7235 9.6415 9.6415 9.6439 9.6439 10.2391 10.2391 10.2457 10.2457 10.8913 10.8913 10.8966 10.8966 k =-0.4000 0.3998 0.3573 ( 6502 PWs) bands (ev): -19.2781 -19.2781 -19.2777 -19.2777 -17.0838 -17.0838 -17.0793 -17.0793 -16.7886 -16.7886 -16.7861 -16.7861 -16.6749 -16.6749 -16.6697 -16.6697 -7.0321 -7.0321 -7.0306 -7.0306 -5.7492 -5.7492 -5.7437 -5.7437 -4.3911 -4.3911 -4.3891 -4.3891 -4.3071 -4.3071 -4.3024 -4.3024 -2.1138 -2.1138 -2.1096 -2.1096 -1.7823 -1.7823 -1.7767 -1.7767 -1.5758 -1.5758 -1.5724 -1.5724 -1.1240 -1.1240 -1.1149 -1.1149 -0.7978 -0.7978 -0.7916 -0.7916 0.1381 0.1381 0.1472 0.1472 0.3555 0.3555 0.3644 0.3644 0.7074 0.7074 0.7103 0.7103 9.7025 9.7025 9.7051 9.7051 10.2573 10.2573 10.2638 10.2638 10.8832 10.8832 10.8885 10.8885 k =-0.4111 0.4109 0.3573 ( 6518 PWs) bands (ev): -19.2752 -19.2752 -19.2748 -19.2748 -17.0865 -17.0865 -17.0820 -17.0820 -16.7908 -16.7908 -16.7886 -16.7886 -16.6756 -16.6756 -16.6704 -16.6704 -7.0061 -7.0061 -7.0044 -7.0044 -5.7751 -5.7751 -5.7696 -5.7696 -4.3851 -4.3851 -4.3833 -4.3833 -4.2960 -4.2960 -4.2916 -4.2916 -2.1054 -2.1054 -2.1013 -2.1013 -1.8032 -1.8032 -1.7970 -1.7970 -1.5761 -1.5761 -1.5731 -1.5731 -1.1351 -1.1351 -1.1259 -1.1259 -0.7971 -0.7971 -0.7913 -0.7913 0.1436 0.1436 0.1526 0.1526 0.3591 0.3591 0.3683 0.3683 0.6939 0.6939 0.6968 0.6968 9.7574 9.7574 9.7603 9.7603 10.2809 10.2809 10.2873 10.2873 10.8744 10.8744 10.8800 10.8800 k =-0.4222 0.4220 0.3573 ( 6522 PWs) bands (ev): -19.2727 -19.2727 -19.2722 -19.2722 -17.0889 -17.0889 -17.0844 -17.0844 -16.7928 -16.7928 -16.7908 -16.7908 -16.6762 -16.6762 -16.6709 -16.6709 -6.9818 -6.9818 -6.9800 -6.9800 -5.7993 -5.7993 -5.7938 -5.7938 -4.3798 -4.3798 -4.3781 -4.3781 -4.2857 -4.2857 -4.2817 -4.2817 -2.0958 -2.0958 -2.0917 -2.0917 -1.8244 -1.8244 -1.8177 -1.8177 -1.5756 -1.5756 -1.5728 -1.5728 -1.1460 -1.1460 -1.1366 -1.1366 -0.7962 -0.7962 -0.7909 -0.7909 0.1488 0.1488 0.1577 0.1577 0.3639 0.3639 0.3731 0.3731 0.6805 0.6805 0.6834 0.6834 9.8051 9.8051 9.8083 9.8083 10.3107 10.3107 10.3171 10.3171 10.8651 10.8651 10.8712 10.8712 k =-0.4333 0.4331 0.3573 ( 6526 PWs) bands (ev): -19.2704 -19.2704 -19.2700 -19.2700 -17.0910 -17.0910 -17.0865 -17.0865 -16.7945 -16.7945 -16.7927 -16.7927 -16.6767 -16.6767 -16.6715 -16.6715 -6.9596 -6.9596 -6.9577 -6.9577 -5.8216 -5.8216 -5.8160 -5.8160 -4.3752 -4.3752 -4.3737 -4.3737 -4.2766 -4.2766 -4.2728 -4.2728 -2.0851 -2.0851 -2.0811 -2.0811 -1.8456 -1.8456 -1.8384 -1.8384 -1.5746 -1.5746 -1.5719 -1.5719 -1.1562 -1.1562 -1.1467 -1.1467 -0.7954 -0.7954 -0.7905 -0.7905 0.1536 0.1536 0.1623 0.1623 0.3694 0.3694 0.3788 0.3788 0.6673 0.6673 0.6703 0.6703 9.8448 9.8448 9.8482 9.8482 10.3468 10.3468 10.3532 10.3532 10.8552 10.8552 10.8621 10.8621 k =-0.4444 0.4442 0.3573 ( 6532 PWs) bands (ev): -19.2685 -19.2685 -19.2681 -19.2681 -17.0928 -17.0928 -17.0883 -17.0883 -16.7959 -16.7959 -16.7944 -16.7944 -16.6771 -16.6771 -16.6719 -16.6719 -6.9399 -6.9399 -6.9379 -6.9379 -5.8413 -5.8413 -5.8357 -5.8357 -4.3714 -4.3714 -4.3699 -4.3699 -4.2685 -4.2685 -4.2650 -4.2650 -2.0735 -2.0735 -2.0696 -2.0696 -1.8665 -1.8665 -1.8586 -1.8586 -1.5735 -1.5735 -1.5706 -1.5706 -1.1656 -1.1656 -1.1558 -1.1558 -0.7945 -0.7945 -0.7901 -0.7901 0.1578 0.1578 0.1662 0.1662 0.3755 0.3755 0.3850 0.3850 0.6548 0.6548 0.6579 0.6579 9.8764 9.8764 9.8800 9.8800 10.3886 10.3886 10.3949 10.3949 10.8444 10.8444 10.8521 10.8521 k =-0.4556 0.4553 0.3573 ( 6526 PWs) bands (ev): -19.2669 -19.2669 -19.2665 -19.2665 -17.0943 -17.0943 -17.0898 -17.0898 -16.7971 -16.7971 -16.7958 -16.7958 -16.6775 -16.6775 -16.6723 -16.6723 -6.9231 -6.9231 -6.9210 -6.9210 -5.8583 -5.8583 -5.8525 -5.8525 -4.3682 -4.3682 -4.3668 -4.3668 -4.2618 -4.2618 -4.2585 -4.2585 -2.0613 -2.0613 -2.0576 -2.0576 -1.8864 -1.8864 -1.8779 -1.8779 -1.5723 -1.5723 -1.5691 -1.5691 -1.1737 -1.1737 -1.1637 -1.1637 -0.7938 -0.7938 -0.7898 -0.7898 0.1614 0.1614 0.1695 0.1695 0.3816 0.3816 0.3913 0.3913 0.6434 0.6434 0.6466 0.6466 9.9004 9.9004 9.9041 9.9041 10.4342 10.4342 10.4405 10.4405 10.8318 10.8318 10.8402 10.8402 k =-0.4667 0.4664 0.3573 ( 6518 PWs) bands (ev): -19.2656 -19.2656 -19.2652 -19.2652 -17.0955 -17.0955 -17.0910 -17.0910 -16.7979 -16.7979 -16.7969 -16.7969 -16.6778 -16.6778 -16.6726 -16.6726 -6.9096 -6.9096 -6.9074 -6.9074 -5.8719 -5.8719 -5.8662 -5.8662 -4.3658 -4.3658 -4.3644 -4.3644 -4.2565 -4.2565 -4.2533 -4.2533 -2.0491 -2.0491 -2.0454 -2.0454 -1.9050 -1.9050 -1.8956 -1.8956 -1.5712 -1.5712 -1.5677 -1.5677 -1.1803 -1.1803 -1.1702 -1.1702 -0.7931 -0.7931 -0.7895 -0.7895 0.1641 0.1641 0.1720 0.1720 0.3874 0.3874 0.3972 0.3972 0.6335 0.6335 0.6369 0.6369 9.9177 9.9177 9.9215 9.9215 10.4810 10.4810 10.4874 10.4874 10.8163 10.8163 10.8248 10.8248 k =-0.4778 0.4775 0.3573 ( 6520 PWs) bands (ev): -19.2647 -19.2647 -19.2643 -19.2643 -17.0963 -17.0963 -17.0919 -17.0919 -16.7986 -16.7986 -16.7977 -16.7977 -16.6780 -16.6780 -16.6728 -16.6728 -6.8996 -6.8996 -6.8974 -6.8974 -5.8820 -5.8820 -5.8762 -5.8762 -4.3640 -4.3640 -4.3626 -4.3626 -4.2527 -4.2527 -4.2496 -4.2496 -2.0378 -2.0378 -2.0341 -2.0341 -1.9211 -1.9211 -1.9107 -1.9107 -1.5702 -1.5702 -1.5666 -1.5666 -1.1852 -1.1852 -1.1750 -1.1750 -0.7926 -0.7926 -0.7893 -0.7893 0.1662 0.1662 0.1738 0.1738 0.3920 0.3920 0.4020 0.4020 0.6259 0.6259 0.6295 0.6295 9.9292 9.9292 9.9331 9.9331 10.5248 10.5248 10.5314 10.5314 10.7979 10.7979 10.8052 10.8052 k =-0.4889 0.4886 0.3573 ( 6512 PWs) bands (ev): -19.2642 -19.2642 -19.2638 -19.2638 -17.0968 -17.0968 -17.0924 -17.0924 -16.7989 -16.7989 -16.7982 -16.7982 -16.6781 -16.6781 -16.6729 -16.6729 -6.8935 -6.8935 -6.8913 -6.8913 -5.8882 -5.8882 -5.8823 -5.8823 -4.3630 -4.3630 -4.3616 -4.3616 -4.2503 -4.2503 -4.2473 -4.2473 -2.0293 -2.0293 -2.0253 -2.0253 -1.9329 -1.9329 -1.9215 -1.9215 -1.5697 -1.5697 -1.5659 -1.5659 -1.1883 -1.1883 -1.1779 -1.1779 -0.7923 -0.7923 -0.7891 -0.7891 0.1674 0.1674 0.1748 0.1748 0.3951 0.3951 0.4052 0.4052 0.6210 0.6210 0.6247 0.6247 9.9359 9.9359 9.9397 9.9397 10.5589 10.5589 10.5656 10.5656 10.7806 10.7806 10.7852 10.7852 k =-0.5000 0.4997 0.3573 ( 6512 PWs) bands (ev): -19.2640 -19.2640 -19.2636 -19.2636 -17.0970 -17.0970 -17.0926 -17.0926 -16.7990 -16.7990 -16.7984 -16.7984 -16.6781 -16.6781 -16.6729 -16.6729 -6.8915 -6.8915 -6.8892 -6.8892 -5.8902 -5.8902 -5.8844 -5.8844 -4.3626 -4.3626 -4.3613 -4.3613 -4.2495 -4.2495 -4.2465 -4.2465 -2.0260 -2.0260 -2.0218 -2.0218 -1.9374 -1.9374 -1.9255 -1.9255 -1.5695 -1.5695 -1.5656 -1.5656 -1.1893 -1.1893 -1.1789 -1.1789 -0.7922 -0.7922 -0.7891 -0.7891 0.1678 0.1678 0.1752 0.1752 0.3962 0.3962 0.4063 0.4063 0.6194 0.6194 0.6231 0.6231 9.9380 9.9380 9.9418 9.9418 10.5726 10.5726 10.5793 10.5793 10.7735 10.7735 10.7753 10.7753 Writing output data file AlPO4.save init_run : 3.72s CPU 13.85s WALL ( 1 calls) electrons : 3279.85s CPU 3306.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 3279.82s CPU 3305.61s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.95s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.61s WALL ( 1 calls) newd : 0.63s CPU 0.77s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.25s WALL ( 350 calls) cegterg : 3166.76s CPU 3189.82s WALL ( 1681 calls) Called by sum_band: Called by *egterg: h_psi : 1089.58s CPU 1108.96s WALL ( 33374 calls) s_psi : 143.24s CPU 143.61s WALL ( 33374 calls) g_psi : 2.53s CPU 2.55s WALL ( 31343 calls) cdiaghg : 1495.73s CPU 1489.62s WALL ( 31693 calls) cegterg:over : 228.73s CPU 219.36s WALL ( 31343 calls) cegterg:upda : 82.16s CPU 90.39s WALL ( 31343 calls) cegterg:last : 46.87s CPU 47.94s WALL ( 3292 calls) Called by h_psi: h_psi:vloc : 790.35s CPU 805.86s WALL ( 33374 calls) h_psi:vnl : 297.92s CPU 300.40s WALL ( 33374 calls) add_vuspsi : 112.71s CPU 123.00s WALL ( 33374 calls) General routines calbec : 185.10s CPU 177.19s WALL ( 33374 calls) fft : 0.31s CPU 1.43s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 751.69s CPU 761.37s WALL ( 2969324 calls) interpolate : 0.10s CPU 0.14s WALL ( 4 calls) davcio : 0.03s CPU 2.36s WALL ( 700 calls) Parallel routines fft_scatter : 448.01s CPU 444.38s WALL ( 2969347 calls) PWSCF : 56m16.80s CPU 59m34.61s WALL This run was terminated on: 9:52: 2 29Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=