Program PWSCF v.5.1.1 starts on 29Dec2015 at 8:48:47 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 2458 1080 166 Max 49 29 9 2463 1097 172 Sum 2337 1353 385 118081 52297 8111 bravais-lattice index = 14 lattice parameter (alat) = 9.4998 a.u. unit-cell volume = 1199.2884 (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)= 9.499785 celldm(2)= 1.000000 celldm(3)= 1.398886 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.000717 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.000717 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.398886 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000717 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.714854 ) 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 ) ( -0.6994432 ) 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) = ( 0.0111032 0.0111111 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0222063 0.0222222 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0333094 0.0333333 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0444126 0.0444445 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0555157 0.0555556 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0666189 0.0666667 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0777220 0.0777778 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0888252 0.0888889 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0999283 0.1000000 -0.0000000), wk = 0.0028571 k( 11) = ( 0.1110315 0.1111111 -0.0000000), wk = 0.0028571 k( 12) = ( 0.1221346 0.1222223 -0.0000000), wk = 0.0028571 k( 13) = ( 0.1332377 0.1333334 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1443409 0.1444445 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1554441 0.1555556 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1665472 0.1666667 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1776503 0.1777778 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1887535 0.1888889 -0.0000000), wk = 0.0028571 k( 19) = ( 0.1998566 0.2000001 -0.0000000), wk = 0.0028571 k( 20) = ( 0.2109598 0.2111112 -0.0000000), wk = 0.0028571 k( 21) = ( 0.2220629 0.2222223 -0.0000000), wk = 0.0028571 k( 22) = ( 0.2331661 0.2333334 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2442692 0.2444445 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2553724 0.2555556 -0.0000000), wk = 0.0028571 k( 25) = ( 0.2664755 0.2666667 -0.0000000), wk = 0.0028571 k( 26) = ( 0.2775786 0.2777778 -0.0000000), wk = 0.0028571 k( 27) = ( 0.2886818 0.2888890 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2997849 0.3000001 -0.0000000), wk = 0.0028571 k( 29) = ( 0.3108881 0.3111112 -0.0000000), wk = 0.0028571 k( 30) = ( 0.3219912 0.3222223 -0.0000000), wk = 0.0028571 k( 31) = ( 0.3330944 0.3333334 -0.0000000), wk = 0.0028571 k( 32) = ( 0.3441975 0.3444445 -0.0000000), wk = 0.0028571 k( 33) = ( 0.3553007 0.3555557 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3664038 0.3666668 -0.0000000), wk = 0.0028571 k( 35) = ( 0.3775070 0.3777779 -0.0000000), wk = 0.0028571 k( 36) = ( 0.3886101 0.3888890 -0.0000000), wk = 0.0028571 k( 37) = ( 0.3997133 0.4000001 -0.0000000), wk = 0.0028571 k( 38) = ( 0.4108164 0.4111112 -0.0000000), wk = 0.0028571 k( 39) = ( 0.4219195 0.4222223 -0.0000000), wk = 0.0028571 k( 40) = ( 0.4330227 0.4333334 -0.0000000), wk = 0.0028571 k( 41) = ( 0.4441258 0.4444446 -0.0000000), wk = 0.0028571 k( 42) = ( 0.4552290 0.4555557 -0.0000000), wk = 0.0028571 k( 43) = ( 0.4663321 0.4666668 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4774353 0.4777779 -0.0000000), wk = 0.0028571 k( 45) = ( 0.4885384 0.4888890 -0.0000000), wk = 0.0028571 k( 46) = ( 0.4996416 0.5000001 -0.0000000), wk = 0.0028571 k( 47) = ( 0.4996416 0.5000001 -0.0000000), wk = 0.0028571 k( 48) = ( 0.4840278 0.5000001 -0.0000000), wk = 0.0028571 k( 49) = ( 0.4684140 0.5000001 -0.0000000), wk = 0.0028571 k( 50) = ( 0.4528002 0.5000001 -0.0000000), wk = 0.0028571 k( 51) = ( 0.4371864 0.5000001 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4215726 0.5000001 -0.0000000), wk = 0.0028571 k( 53) = ( 0.4059588 0.5000001 -0.0000000), wk = 0.0028571 k( 54) = ( 0.3903450 0.5000001 -0.0000000), wk = 0.0028571 k( 55) = ( 0.3747312 0.5000001 -0.0000000), wk = 0.0028571 k( 56) = ( 0.3591174 0.5000001 -0.0000000), wk = 0.0028571 k( 57) = ( 0.3435036 0.5000001 -0.0000000), wk = 0.0028571 k( 58) = ( 0.3278898 0.5000001 -0.0000000), wk = 0.0028571 k( 59) = ( 0.3122760 0.5000001 -0.0000000), wk = 0.0028571 k( 60) = ( 0.2966622 0.5000001 -0.0000000), wk = 0.0028571 k( 61) = ( 0.2810484 0.5000001 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2654346 0.5000001 -0.0000000), wk = 0.0028571 k( 63) = ( 0.2498208 0.5000001 -0.0000000), wk = 0.0028571 k( 64) = ( 0.2342070 0.5000001 -0.0000000), wk = 0.0028571 k( 65) = ( 0.2185932 0.5000001 -0.0000000), wk = 0.0028571 k( 66) = ( 0.2029794 0.5000001 -0.0000000), wk = 0.0028571 k( 67) = ( 0.1873656 0.5000001 -0.0000000), wk = 0.0028571 k( 68) = ( 0.1717518 0.5000001 -0.0000000), wk = 0.0028571 k( 69) = ( 0.1561380 0.5000001 -0.0000000), wk = 0.0028571 k( 70) = ( 0.1405242 0.5000001 -0.0000000), wk = 0.0028571 k( 71) = ( 0.1249104 0.5000001 -0.0000000), wk = 0.0028571 k( 72) = ( 0.1092966 0.5000001 -0.0000000), wk = 0.0028571 k( 73) = ( 0.0936828 0.5000001 -0.0000000), wk = 0.0028571 k( 74) = ( 0.0780690 0.5000001 -0.0000000), wk = 0.0028571 k( 75) = ( 0.0624552 0.5000001 -0.0000000), wk = 0.0028571 k( 76) = ( 0.0468414 0.5000001 -0.0000000), wk = 0.0028571 k( 77) = ( 0.0312276 0.5000001 -0.0000000), wk = 0.0028571 k( 78) = ( 0.0156138 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 0.0155403), wk = 0.0028571 k( 82) = ( 0.0000000 0.5000001 0.0310806), wk = 0.0028571 k( 83) = ( 0.0000000 0.5000001 0.0466209), wk = 0.0028571 k( 84) = ( 0.0000000 0.5000001 0.0621612), wk = 0.0028571 k( 85) = ( 0.0000000 0.5000001 0.0777016), wk = 0.0028571 k( 86) = ( 0.0000000 0.5000001 0.0932419), wk = 0.0028571 k( 87) = ( 0.0000000 0.5000001 0.1087822), wk = 0.0028571 k( 88) = ( 0.0000000 0.5000001 0.1243225), wk = 0.0028571 k( 89) = ( 0.0000000 0.5000001 0.1398628), wk = 0.0028571 k( 90) = ( 0.0000000 0.5000001 0.1554031), wk = 0.0028571 k( 91) = ( 0.0000000 0.5000001 0.1709434), wk = 0.0028571 k( 92) = ( 0.0000000 0.5000001 0.1864837), wk = 0.0028571 k( 93) = ( 0.0000000 0.5000001 0.2020240), wk = 0.0028571 k( 94) = ( 0.0000000 0.5000001 0.2175644), wk = 0.0028571 k( 95) = ( 0.0000000 0.5000001 0.2331047), wk = 0.0028571 k( 96) = ( 0.0000000 0.5000001 0.2486450), wk = 0.0028571 k( 97) = ( 0.0000000 0.5000001 0.2641853), wk = 0.0028571 k( 98) = ( 0.0000000 0.5000001 0.2797256), wk = 0.0028571 k( 99) = ( 0.0000000 0.5000001 0.2952659), wk = 0.0028571 k( 100) = ( 0.0000000 0.5000001 0.3108062), wk = 0.0028571 k( 101) = ( 0.0000000 0.5000001 0.3263465), wk = 0.0028571 k( 102) = ( 0.0000000 0.5000001 0.3418868), wk = 0.0028571 k( 103) = ( 0.0000000 0.5000001 0.3574272), wk = 0.0028571 k( 104) = ( 0.0000000 0.5000001 0.3574272), wk = 0.0028571 k( 105) = ( 0.0156138 0.5000001 0.3574272), wk = 0.0028571 k( 106) = ( 0.0312276 0.5000001 0.3574272), wk = 0.0028571 k( 107) = ( 0.0468414 0.5000001 0.3574272), wk = 0.0028571 k( 108) = ( 0.0624552 0.5000001 0.3574272), wk = 0.0028571 k( 109) = ( 0.0780690 0.5000001 0.3574272), wk = 0.0028571 k( 110) = ( 0.0936828 0.5000001 0.3574272), wk = 0.0028571 k( 111) = ( 0.1092966 0.5000001 0.3574272), wk = 0.0028571 k( 112) = ( 0.1249104 0.5000001 0.3574272), wk = 0.0028571 k( 113) = ( 0.1405242 0.5000001 0.3574272), wk = 0.0028571 k( 114) = ( 0.1561380 0.5000001 0.3574272), wk = 0.0028571 k( 115) = ( 0.1717518 0.5000001 0.3574272), wk = 0.0028571 k( 116) = ( 0.1873656 0.5000001 0.3574272), wk = 0.0028571 k( 117) = ( 0.2029794 0.5000001 0.3574272), wk = 0.0028571 k( 118) = ( 0.2185932 0.5000001 0.3574272), wk = 0.0028571 k( 119) = ( 0.2342070 0.5000001 0.3574272), wk = 0.0028571 k( 120) = ( 0.2498208 0.5000001 0.3574272), wk = 0.0028571 k( 121) = ( 0.2654346 0.5000001 0.3574272), wk = 0.0028571 k( 122) = ( 0.2810484 0.5000001 0.3574272), wk = 0.0028571 k( 123) = ( 0.2966622 0.5000001 0.3574272), wk = 0.0028571 k( 124) = ( 0.3122760 0.5000001 0.3574272), wk = 0.0028571 k( 125) = ( 0.3278898 0.5000001 0.3574272), wk = 0.0028571 k( 126) = ( 0.3435036 0.5000001 0.3574272), wk = 0.0028571 k( 127) = ( 0.3591174 0.5000001 0.3574272), wk = 0.0028571 k( 128) = ( 0.3747312 0.5000001 0.3574272), wk = 0.0028571 k( 129) = ( 0.3903450 0.5000001 0.3574272), wk = 0.0028571 k( 130) = ( 0.4059588 0.5000001 0.3574272), wk = 0.0028571 k( 131) = ( 0.4215726 0.5000001 0.3574272), wk = 0.0028571 k( 132) = ( 0.4371864 0.5000001 0.3574272), wk = 0.0028571 k( 133) = ( 0.4528002 0.5000001 0.3574272), wk = 0.0028571 k( 134) = ( 0.4684140 0.5000001 0.3574272), wk = 0.0028571 k( 135) = ( 0.4840278 0.5000001 0.3574272), wk = 0.0028571 k( 136) = ( 0.4996416 0.5000001 0.3574272), wk = 0.0028571 k( 137) = ( 0.4996416 0.5000001 0.3574272), wk = 0.0028571 k( 138) = ( 0.4885384 0.4888890 0.3574272), wk = 0.0028571 k( 139) = ( 0.4774353 0.4777779 0.3574272), wk = 0.0028571 k( 140) = ( 0.4663321 0.4666668 0.3574272), wk = 0.0028571 k( 141) = ( 0.4552290 0.4555557 0.3574272), wk = 0.0028571 k( 142) = ( 0.4441258 0.4444446 0.3574272), wk = 0.0028571 k( 143) = ( 0.4330227 0.4333334 0.3574272), wk = 0.0028571 k( 144) = ( 0.4219195 0.4222223 0.3574272), wk = 0.0028571 k( 145) = ( 0.4108164 0.4111112 0.3574272), wk = 0.0028571 k( 146) = ( 0.3997133 0.4000001 0.3574272), wk = 0.0028571 k( 147) = ( 0.3886101 0.3888890 0.3574272), wk = 0.0028571 k( 148) = ( 0.3775070 0.3777779 0.3574272), wk = 0.0028571 k( 149) = ( 0.3664038 0.3666668 0.3574272), wk = 0.0028571 k( 150) = ( 0.3553007 0.3555557 0.3574272), wk = 0.0028571 k( 151) = ( 0.3441975 0.3444445 0.3574272), wk = 0.0028571 k( 152) = ( 0.3330944 0.3333334 0.3574272), wk = 0.0028571 k( 153) = ( 0.3219912 0.3222223 0.3574272), wk = 0.0028571 k( 154) = ( 0.3108881 0.3111112 0.3574272), wk = 0.0028571 k( 155) = ( 0.2997849 0.3000001 0.3574272), wk = 0.0028571 k( 156) = ( 0.2886818 0.2888890 0.3574272), wk = 0.0028571 k( 157) = ( 0.2775786 0.2777778 0.3574272), wk = 0.0028571 k( 158) = ( 0.2664755 0.2666667 0.3574272), wk = 0.0028571 k( 159) = ( 0.2553724 0.2555556 0.3574272), wk = 0.0028571 k( 160) = ( 0.2442692 0.2444445 0.3574272), wk = 0.0028571 k( 161) = ( 0.2331661 0.2333334 0.3574272), wk = 0.0028571 k( 162) = ( 0.2220629 0.2222223 0.3574272), wk = 0.0028571 k( 163) = ( 0.2109598 0.2111112 0.3574272), wk = 0.0028571 k( 164) = ( 0.1998566 0.2000001 0.3574272), wk = 0.0028571 k( 165) = ( 0.1887535 0.1888889 0.3574272), wk = 0.0028571 k( 166) = ( 0.1776503 0.1777778 0.3574272), wk = 0.0028571 k( 167) = ( 0.1665472 0.1666667 0.3574272), wk = 0.0028571 k( 168) = ( 0.1554441 0.1555556 0.3574272), wk = 0.0028571 k( 169) = ( 0.1443409 0.1444445 0.3574272), wk = 0.0028571 k( 170) = ( 0.1332377 0.1333334 0.3574272), wk = 0.0028571 k( 171) = ( 0.1221346 0.1222223 0.3574272), wk = 0.0028571 k( 172) = ( 0.1110315 0.1111111 0.3574272), wk = 0.0028571 k( 173) = ( 0.0999283 0.1000000 0.3574272), wk = 0.0028571 k( 174) = ( 0.0888252 0.0888889 0.3574272), wk = 0.0028571 k( 175) = ( 0.0777220 0.0777778 0.3574272), wk = 0.0028571 k( 176) = ( 0.0666189 0.0666667 0.3574272), wk = 0.0028571 k( 177) = ( 0.0555157 0.0555556 0.3574272), wk = 0.0028571 k( 178) = ( 0.0444126 0.0444445 0.3574272), wk = 0.0028571 k( 179) = ( 0.0333094 0.0333333 0.3574272), wk = 0.0028571 k( 180) = ( 0.0222063 0.0222222 0.3574272), wk = 0.0028571 k( 181) = ( 0.0111032 0.0111111 0.3574272), wk = 0.0028571 k( 182) = ( 0.0000000 0.0000000 0.3574272), wk = 0.0028571 k( 183) = ( 0.0000000 0.0000000 0.3574272), wk = 0.0028571 k( 184) = ( 0.0000000 0.0000000 0.3418868), wk = 0.0028571 k( 185) = ( 0.0000000 0.0000000 0.3263465), wk = 0.0028571 k( 186) = ( 0.0000000 0.0000000 0.3108062), wk = 0.0028571 k( 187) = ( 0.0000000 0.0000000 0.2952659), wk = 0.0028571 k( 188) = ( 0.0000000 0.0000000 0.2797256), wk = 0.0028571 k( 189) = ( 0.0000000 0.0000000 0.2641853), wk = 0.0028571 k( 190) = ( 0.0000000 0.0000000 0.2486450), wk = 0.0028571 k( 191) = ( 0.0000000 0.0000000 0.2331047), wk = 0.0028571 k( 192) = ( 0.0000000 0.0000000 0.2175644), wk = 0.0028571 k( 193) = ( 0.0000000 0.0000000 0.2020240), wk = 0.0028571 k( 194) = ( 0.0000000 0.0000000 0.1864837), wk = 0.0028571 k( 195) = ( 0.0000000 0.0000000 0.1709434), wk = 0.0028571 k( 196) = ( 0.0000000 0.0000000 0.1554031), wk = 0.0028571 k( 197) = ( 0.0000000 0.0000000 0.1398628), wk = 0.0028571 k( 198) = ( 0.0000000 0.0000000 0.1243225), wk = 0.0028571 k( 199) = ( 0.0000000 0.0000000 0.1087822), wk = 0.0028571 k( 200) = ( 0.0000000 0.0000000 0.0932419), wk = 0.0028571 k( 201) = ( 0.0000000 0.0000000 0.0777016), wk = 0.0028571 k( 202) = ( 0.0000000 0.0000000 0.0621612), wk = 0.0028571 k( 203) = ( 0.0000000 0.0000000 0.0466209), wk = 0.0028571 k( 204) = ( 0.0000000 0.0000000 0.0310806), wk = 0.0028571 k( 205) = ( 0.0000000 0.0000000 0.0155403), 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 0.0111031 0.0000000), wk = 0.0028571 k( 209) = ( -0.0222222 0.0222063 0.0000000), wk = 0.0028571 k( 210) = ( -0.0333333 0.0333094 0.0000000), wk = 0.0028571 k( 211) = ( -0.0444444 0.0444126 0.0000000), wk = 0.0028571 k( 212) = ( -0.0555556 0.0555157 0.0000000), wk = 0.0028571 k( 213) = ( -0.0666667 0.0666189 0.0000000), wk = 0.0028571 k( 214) = ( -0.0777778 0.0777220 0.0000000), wk = 0.0028571 k( 215) = ( -0.0888889 0.0888251 0.0000000), wk = 0.0028571 k( 216) = ( -0.1000000 0.0999283 0.0000000), wk = 0.0028571 k( 217) = ( -0.1111111 0.1110314 0.0000000), wk = 0.0028571 k( 218) = ( -0.1222222 0.1221346 0.0000000), wk = 0.0028571 k( 219) = ( -0.1333333 0.1332377 0.0000000), wk = 0.0028571 k( 220) = ( -0.1444444 0.1443409 0.0000000), wk = 0.0028571 k( 221) = ( -0.1555556 0.1554440 0.0000000), wk = 0.0028571 k( 222) = ( -0.1666667 0.1665472 0.0000000), wk = 0.0028571 k( 223) = ( -0.1777778 0.1776503 0.0000000), wk = 0.0028571 k( 224) = ( -0.1888889 0.1887534 0.0000000), wk = 0.0028571 k( 225) = ( -0.2000000 0.1998566 0.0000000), wk = 0.0028571 k( 226) = ( -0.2111111 0.2109597 0.0000000), wk = 0.0028571 k( 227) = ( -0.2222222 0.2220629 0.0000000), wk = 0.0028571 k( 228) = ( -0.2333333 0.2331660 0.0000000), wk = 0.0028571 k( 229) = ( -0.2444444 0.2442691 0.0000000), wk = 0.0028571 k( 230) = ( -0.2555556 0.2553723 0.0000000), wk = 0.0028571 k( 231) = ( -0.2666667 0.2664754 0.0000000), wk = 0.0028571 k( 232) = ( -0.2777778 0.2775786 0.0000000), wk = 0.0028571 k( 233) = ( -0.2888889 0.2886817 0.0000000), wk = 0.0028571 k( 234) = ( -0.3000000 0.2997849 0.0000000), wk = 0.0028571 k( 235) = ( -0.3111111 0.3108880 0.0000000), wk = 0.0028571 k( 236) = ( -0.3222222 0.3219912 0.0000000), wk = 0.0028571 k( 237) = ( -0.3333333 0.3330943 0.0000000), wk = 0.0028571 k( 238) = ( -0.3444444 0.3441974 0.0000000), wk = 0.0028571 k( 239) = ( -0.3555556 0.3553006 0.0000000), wk = 0.0028571 k( 240) = ( -0.3666667 0.3664037 0.0000000), wk = 0.0028571 k( 241) = ( -0.3777778 0.3775069 0.0000000), wk = 0.0028571 k( 242) = ( -0.3888889 0.3886100 0.0000000), wk = 0.0028571 k( 243) = ( -0.4000000 0.3997132 0.0000000), wk = 0.0028571 k( 244) = ( -0.4111111 0.4108163 0.0000000), wk = 0.0028571 k( 245) = ( -0.4222222 0.4219194 0.0000000), wk = 0.0028571 k( 246) = ( -0.4333333 0.4330226 0.0000000), wk = 0.0028571 k( 247) = ( -0.4444444 0.4441257 0.0000000), wk = 0.0028571 k( 248) = ( -0.4555556 0.4552289 0.0000000), wk = 0.0028571 k( 249) = ( -0.4666667 0.4663320 0.0000000), wk = 0.0028571 k( 250) = ( -0.4777778 0.4774352 0.0000000), wk = 0.0028571 k( 251) = ( -0.4888889 0.4885383 0.0000000), wk = 0.0028571 k( 252) = ( -0.5000000 0.4996414 0.0000000), wk = 0.0028571 k( 253) = ( -0.5000000 0.4996414 0.0000000), wk = 0.0028571 k( 254) = ( -0.4996416 0.5000001 -0.0000000), wk = 0.0028571 k( 255) = ( -0.4996416 0.5000001 -0.0000000), wk = 0.0028571 k( 256) = ( -0.4996416 0.5000001 0.0155403), wk = 0.0028571 k( 257) = ( -0.4996416 0.5000001 0.0310806), wk = 0.0028571 k( 258) = ( -0.4996416 0.5000001 0.0466209), wk = 0.0028571 k( 259) = ( -0.4996416 0.5000001 0.0621612), wk = 0.0028571 k( 260) = ( -0.4996416 0.5000001 0.0777016), wk = 0.0028571 k( 261) = ( -0.4996416 0.5000001 0.0932419), wk = 0.0028571 k( 262) = ( -0.4996416 0.5000001 0.1087822), wk = 0.0028571 k( 263) = ( -0.4996416 0.5000001 0.1243225), wk = 0.0028571 k( 264) = ( -0.4996416 0.5000001 0.1398628), wk = 0.0028571 k( 265) = ( -0.4996416 0.5000001 0.1554031), wk = 0.0028571 k( 266) = ( -0.4996416 0.5000001 0.1709434), wk = 0.0028571 k( 267) = ( -0.4996416 0.5000001 0.1864837), wk = 0.0028571 k( 268) = ( -0.4996416 0.5000001 0.2020240), wk = 0.0028571 k( 269) = ( -0.4996416 0.5000001 0.2175644), wk = 0.0028571 k( 270) = ( -0.4996416 0.5000001 0.2331047), wk = 0.0028571 k( 271) = ( -0.4996416 0.5000001 0.2486450), wk = 0.0028571 k( 272) = ( -0.4996416 0.5000001 0.2641853), wk = 0.0028571 k( 273) = ( -0.4996416 0.5000001 0.2797256), wk = 0.0028571 k( 274) = ( -0.4996416 0.5000001 0.2952659), wk = 0.0028571 k( 275) = ( -0.4996416 0.5000001 0.3108062), wk = 0.0028571 k( 276) = ( -0.4996416 0.5000001 0.3263465), wk = 0.0028571 k( 277) = ( -0.4996416 0.5000001 0.3418868), wk = 0.0028571 k( 278) = ( -0.4996416 0.5000001 0.3574272), wk = 0.0028571 k( 279) = ( -0.4996416 0.5000001 0.3574272), wk = 0.0028571 k( 280) = ( -0.5000000 0.4996414 0.3574272), wk = 0.0028571 k( 281) = ( -0.5000000 0.4996414 0.3574272), wk = 0.0028571 k( 282) = ( -0.5000000 0.4996414 0.3418868), wk = 0.0028571 k( 283) = ( -0.5000000 0.4996414 0.3263465), wk = 0.0028571 k( 284) = ( -0.5000000 0.4996414 0.3108062), wk = 0.0028571 k( 285) = ( -0.5000000 0.4996414 0.2952659), wk = 0.0028571 k( 286) = ( -0.5000000 0.4996414 0.2797256), wk = 0.0028571 k( 287) = ( -0.5000000 0.4996414 0.2641853), wk = 0.0028571 k( 288) = ( -0.5000000 0.4996414 0.2486450), wk = 0.0028571 k( 289) = ( -0.5000000 0.4996414 0.2331047), wk = 0.0028571 k( 290) = ( -0.5000000 0.4996414 0.2175644), wk = 0.0028571 k( 291) = ( -0.5000000 0.4996414 0.2020240), wk = 0.0028571 k( 292) = ( -0.5000000 0.4996414 0.1864837), wk = 0.0028571 k( 293) = ( -0.5000000 0.4996414 0.1709434), wk = 0.0028571 k( 294) = ( -0.5000000 0.4996414 0.1554031), wk = 0.0028571 k( 295) = ( -0.5000000 0.4996414 0.1398628), wk = 0.0028571 k( 296) = ( -0.5000000 0.4996414 0.1243225), wk = 0.0028571 k( 297) = ( -0.5000000 0.4996414 0.1087822), wk = 0.0028571 k( 298) = ( -0.5000000 0.4996414 0.0932419), wk = 0.0028571 k( 299) = ( -0.5000000 0.4996414 0.0777016), wk = 0.0028571 k( 300) = ( -0.5000000 0.4996414 0.0621612), wk = 0.0028571 k( 301) = ( -0.5000000 0.4996414 0.0466209), wk = 0.0028571 k( 302) = ( -0.5000000 0.4996414 0.0310806), wk = 0.0028571 k( 303) = ( -0.5000000 0.4996414 0.0155403), wk = 0.0028571 k( 304) = ( -0.5000000 0.4996414 0.0000000), wk = 0.0028571 k( 305) = ( 0.0000000 0.0000000 0.3574272), wk = 0.0028571 k( 306) = ( -0.0111111 0.0111031 0.3574272), wk = 0.0028571 k( 307) = ( -0.0222222 0.0222063 0.3574272), wk = 0.0028571 k( 308) = ( -0.0333333 0.0333094 0.3574272), wk = 0.0028571 k( 309) = ( -0.0444444 0.0444126 0.3574272), wk = 0.0028571 k( 310) = ( -0.0555556 0.0555157 0.3574272), wk = 0.0028571 k( 311) = ( -0.0666667 0.0666189 0.3574272), wk = 0.0028571 k( 312) = ( -0.0777778 0.0777220 0.3574272), wk = 0.0028571 k( 313) = ( -0.0888889 0.0888251 0.3574272), wk = 0.0028571 k( 314) = ( -0.1000000 0.0999283 0.3574272), wk = 0.0028571 k( 315) = ( -0.1111111 0.1110314 0.3574272), wk = 0.0028571 k( 316) = ( -0.1222222 0.1221346 0.3574272), wk = 0.0028571 k( 317) = ( -0.1333333 0.1332377 0.3574272), wk = 0.0028571 k( 318) = ( -0.1444444 0.1443409 0.3574272), wk = 0.0028571 k( 319) = ( -0.1555556 0.1554440 0.3574272), wk = 0.0028571 k( 320) = ( -0.1666667 0.1665472 0.3574272), wk = 0.0028571 k( 321) = ( -0.1777778 0.1776503 0.3574272), wk = 0.0028571 k( 322) = ( -0.1888889 0.1887534 0.3574272), wk = 0.0028571 k( 323) = ( -0.2000000 0.1998566 0.3574272), wk = 0.0028571 k( 324) = ( -0.2111111 0.2109597 0.3574272), wk = 0.0028571 k( 325) = ( -0.2222222 0.2220629 0.3574272), wk = 0.0028571 k( 326) = ( -0.2333333 0.2331660 0.3574272), wk = 0.0028571 k( 327) = ( -0.2444444 0.2442691 0.3574272), wk = 0.0028571 k( 328) = ( -0.2555556 0.2553723 0.3574272), wk = 0.0028571 k( 329) = ( -0.2666667 0.2664754 0.3574272), wk = 0.0028571 k( 330) = ( -0.2777778 0.2775786 0.3574272), wk = 0.0028571 k( 331) = ( -0.2888889 0.2886817 0.3574272), wk = 0.0028571 k( 332) = ( -0.3000000 0.2997849 0.3574272), wk = 0.0028571 k( 333) = ( -0.3111111 0.3108880 0.3574272), wk = 0.0028571 k( 334) = ( -0.3222222 0.3219912 0.3574272), wk = 0.0028571 k( 335) = ( -0.3333333 0.3330943 0.3574272), wk = 0.0028571 k( 336) = ( -0.3444444 0.3441974 0.3574272), wk = 0.0028571 k( 337) = ( -0.3555556 0.3553006 0.3574272), wk = 0.0028571 k( 338) = ( -0.3666667 0.3664037 0.3574272), wk = 0.0028571 k( 339) = ( -0.3777778 0.3775069 0.3574272), wk = 0.0028571 k( 340) = ( -0.3888889 0.3886100 0.3574272), wk = 0.0028571 k( 341) = ( -0.4000000 0.3997132 0.3574272), wk = 0.0028571 k( 342) = ( -0.4111111 0.4108163 0.3574272), wk = 0.0028571 k( 343) = ( -0.4222222 0.4219194 0.3574272), wk = 0.0028571 k( 344) = ( -0.4333333 0.4330226 0.3574272), wk = 0.0028571 k( 345) = ( -0.4444444 0.4441257 0.3574272), wk = 0.0028571 k( 346) = ( -0.4555556 0.4552289 0.3574272), wk = 0.0028571 k( 347) = ( -0.4666667 0.4663320 0.3574272), wk = 0.0028571 k( 348) = ( -0.4777778 0.4774352 0.3574272), wk = 0.0028571 k( 349) = ( -0.4888889 0.4885383 0.3574272), wk = 0.0028571 k( 350) = ( -0.5000000 0.4996414 0.3574272), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0111032 0.0111032 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0222063 0.0222063 0.0000000), wk = 0.0028571 k( 4) = ( 0.0333094 0.0333094 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0444126 0.0444126 0.0000000), wk = 0.0028571 k( 6) = ( 0.0555157 0.0555157 0.0000000), wk = 0.0028571 k( 7) = ( 0.0666189 0.0666189 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0777220 0.0777220 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0888252 0.0888252 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0999283 0.0999283 0.0000000), wk = 0.0028571 k( 11) = ( 0.1110315 0.1110315 0.0000000), wk = 0.0028571 k( 12) = ( 0.1221346 0.1221346 0.0000000), wk = 0.0028571 k( 13) = ( 0.1332377 0.1332377 -0.0000000), wk = 0.0028571 k( 14) = ( 0.1443409 0.1443409 -0.0000000), wk = 0.0028571 k( 15) = ( 0.1554441 0.1554441 -0.0000000), wk = 0.0028571 k( 16) = ( 0.1665472 0.1665472 -0.0000000), wk = 0.0028571 k( 17) = ( 0.1776503 0.1776503 -0.0000000), wk = 0.0028571 k( 18) = ( 0.1887535 0.1887535 0.0000000), wk = 0.0028571 k( 19) = ( 0.1998566 0.1998566 0.0000000), wk = 0.0028571 k( 20) = ( 0.2109598 0.2109598 0.0000000), wk = 0.0028571 k( 21) = ( 0.2220629 0.2220629 0.0000000), wk = 0.0028571 k( 22) = ( 0.2331661 0.2331661 -0.0000000), wk = 0.0028571 k( 23) = ( 0.2442692 0.2442692 -0.0000000), wk = 0.0028571 k( 24) = ( 0.2553724 0.2553724 0.0000000), wk = 0.0028571 k( 25) = ( 0.2664755 0.2664755 0.0000000), wk = 0.0028571 k( 26) = ( 0.2775786 0.2775786 0.0000000), wk = 0.0028571 k( 27) = ( 0.2886818 0.2886818 -0.0000000), wk = 0.0028571 k( 28) = ( 0.2997849 0.2997849 0.0000000), wk = 0.0028571 k( 29) = ( 0.3108881 0.3108881 0.0000000), wk = 0.0028571 k( 30) = ( 0.3219912 0.3219912 -0.0000000), wk = 0.0028571 k( 31) = ( 0.3330944 0.3330944 -0.0000000), wk = 0.0028571 k( 32) = ( 0.3441975 0.3441975 0.0000000), wk = 0.0028571 k( 33) = ( 0.3553007 0.3553007 -0.0000000), wk = 0.0028571 k( 34) = ( 0.3664038 0.3664038 0.0000000), wk = 0.0028571 k( 35) = ( 0.3775070 0.3775070 0.0000000), wk = 0.0028571 k( 36) = ( 0.3886101 0.3886101 0.0000000), wk = 0.0028571 k( 37) = ( 0.3997133 0.3997133 0.0000000), wk = 0.0028571 k( 38) = ( 0.4108164 0.4108164 0.0000000), wk = 0.0028571 k( 39) = ( 0.4219195 0.4219195 -0.0000000), wk = 0.0028571 k( 40) = ( 0.4330227 0.4330227 0.0000000), wk = 0.0028571 k( 41) = ( 0.4441258 0.4441258 0.0000000), wk = 0.0028571 k( 42) = ( 0.4552290 0.4552290 0.0000000), wk = 0.0028571 k( 43) = ( 0.4663321 0.4663321 -0.0000000), wk = 0.0028571 k( 44) = ( 0.4774353 0.4774353 0.0000000), wk = 0.0028571 k( 45) = ( 0.4885384 0.4885384 0.0000000), wk = 0.0028571 k( 46) = ( 0.4996416 0.4996416 0.0000000), wk = 0.0028571 k( 47) = ( 0.4996416 0.4996416 0.0000000), wk = 0.0028571 k( 48) = ( 0.4840278 0.4996528 0.0000000), wk = 0.0028571 k( 49) = ( 0.4684140 0.4996640 0.0000000), wk = 0.0028571 k( 50) = ( 0.4528002 0.4996752 0.0000000), wk = 0.0028571 k( 51) = ( 0.4371864 0.4996864 -0.0000000), wk = 0.0028571 k( 52) = ( 0.4215726 0.4996976 0.0000000), wk = 0.0028571 k( 53) = ( 0.4059588 0.4997088 0.0000000), wk = 0.0028571 k( 54) = ( 0.3903450 0.4997200 -0.0000000), wk = 0.0028571 k( 55) = ( 0.3747312 0.4997312 -0.0000000), wk = 0.0028571 k( 56) = ( 0.3591174 0.4997424 -0.0000000), wk = 0.0028571 k( 57) = ( 0.3435036 0.4997536 -0.0000000), wk = 0.0028571 k( 58) = ( 0.3278898 0.4997648 0.0000000), wk = 0.0028571 k( 59) = ( 0.3122760 0.4997760 0.0000000), wk = 0.0028571 k( 60) = ( 0.2966622 0.4997872 0.0000000), wk = 0.0028571 k( 61) = ( 0.2810484 0.4997984 0.0000000), wk = 0.0028571 k( 62) = ( 0.2654346 0.4998096 0.0000000), wk = 0.0028571 k( 63) = ( 0.2498208 0.4998208 0.0000000), wk = 0.0028571 k( 64) = ( 0.2342070 0.4998320 0.0000000), wk = 0.0028571 k( 65) = ( 0.2185932 0.4998432 0.0000000), wk = 0.0028571 k( 66) = ( 0.2029794 0.4998544 0.0000000), wk = 0.0028571 k( 67) = ( 0.1873656 0.4998656 0.0000000), wk = 0.0028571 k( 68) = ( 0.1717518 0.4998768 -0.0000000), wk = 0.0028571 k( 69) = ( 0.1561380 0.4998880 0.0000000), wk = 0.0028571 k( 70) = ( 0.1405242 0.4998992 0.0000000), wk = 0.0028571 k( 71) = ( 0.1249104 0.4999104 0.0000000), wk = 0.0028571 k( 72) = ( 0.1092966 0.4999216 -0.0000000), wk = 0.0028571 k( 73) = ( 0.0936828 0.4999328 0.0000000), wk = 0.0028571 k( 74) = ( 0.0780690 0.4999440 0.0000000), wk = 0.0028571 k( 75) = ( 0.0624552 0.4999552 -0.0000000), wk = 0.0028571 k( 76) = ( 0.0468414 0.4999664 0.0000000), wk = 0.0028571 k( 77) = ( 0.0312276 0.4999776 0.0000000), wk = 0.0028571 k( 78) = ( 0.0156138 0.4999888 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 0.3913044), 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) = ( 0.0156138 0.4999888 0.5000000), wk = 0.0028571 k( 106) = ( 0.0312276 0.4999776 0.5000000), wk = 0.0028571 k( 107) = ( 0.0468414 0.4999664 0.5000000), wk = 0.0028571 k( 108) = ( 0.0624552 0.4999552 0.5000000), wk = 0.0028571 k( 109) = ( 0.0780690 0.4999440 0.5000000), wk = 0.0028571 k( 110) = ( 0.0936828 0.4999328 0.5000000), wk = 0.0028571 k( 111) = ( 0.1092966 0.4999216 0.5000000), wk = 0.0028571 k( 112) = ( 0.1249104 0.4999104 0.5000000), wk = 0.0028571 k( 113) = ( 0.1405242 0.4998992 0.5000000), wk = 0.0028571 k( 114) = ( 0.1561380 0.4998880 0.5000000), wk = 0.0028571 k( 115) = ( 0.1717518 0.4998768 0.5000000), wk = 0.0028571 k( 116) = ( 0.1873656 0.4998656 0.5000000), wk = 0.0028571 k( 117) = ( 0.2029794 0.4998544 0.5000000), wk = 0.0028571 k( 118) = ( 0.2185932 0.4998432 0.5000000), wk = 0.0028571 k( 119) = ( 0.2342070 0.4998320 0.5000000), wk = 0.0028571 k( 120) = ( 0.2498208 0.4998208 0.5000000), wk = 0.0028571 k( 121) = ( 0.2654346 0.4998096 0.5000000), wk = 0.0028571 k( 122) = ( 0.2810484 0.4997984 0.5000000), wk = 0.0028571 k( 123) = ( 0.2966622 0.4997872 0.5000000), wk = 0.0028571 k( 124) = ( 0.3122760 0.4997760 0.5000000), wk = 0.0028571 k( 125) = ( 0.3278898 0.4997648 0.5000000), wk = 0.0028571 k( 126) = ( 0.3435036 0.4997536 0.5000000), wk = 0.0028571 k( 127) = ( 0.3591174 0.4997424 0.5000000), wk = 0.0028571 k( 128) = ( 0.3747312 0.4997312 0.5000000), wk = 0.0028571 k( 129) = ( 0.3903450 0.4997200 0.5000000), wk = 0.0028571 k( 130) = ( 0.4059588 0.4997088 0.5000000), wk = 0.0028571 k( 131) = ( 0.4215726 0.4996976 0.5000000), wk = 0.0028571 k( 132) = ( 0.4371864 0.4996864 0.5000000), wk = 0.0028571 k( 133) = ( 0.4528002 0.4996752 0.5000000), wk = 0.0028571 k( 134) = ( 0.4684140 0.4996640 0.5000000), wk = 0.0028571 k( 135) = ( 0.4840278 0.4996528 0.5000000), wk = 0.0028571 k( 136) = ( 0.4996416 0.4996416 0.5000000), wk = 0.0028571 k( 137) = ( 0.4996416 0.4996416 0.5000000), wk = 0.0028571 k( 138) = ( 0.4885384 0.4885384 0.5000000), wk = 0.0028571 k( 139) = ( 0.4774353 0.4774353 0.5000000), wk = 0.0028571 k( 140) = ( 0.4663321 0.4663321 0.5000000), wk = 0.0028571 k( 141) = ( 0.4552290 0.4552290 0.5000000), wk = 0.0028571 k( 142) = ( 0.4441258 0.4441258 0.5000000), wk = 0.0028571 k( 143) = ( 0.4330227 0.4330227 0.5000000), wk = 0.0028571 k( 144) = ( 0.4219195 0.4219195 0.5000000), wk = 0.0028571 k( 145) = ( 0.4108164 0.4108164 0.5000000), wk = 0.0028571 k( 146) = ( 0.3997133 0.3997133 0.5000000), wk = 0.0028571 k( 147) = ( 0.3886101 0.3886101 0.5000000), wk = 0.0028571 k( 148) = ( 0.3775070 0.3775070 0.5000000), wk = 0.0028571 k( 149) = ( 0.3664038 0.3664038 0.5000000), wk = 0.0028571 k( 150) = ( 0.3553007 0.3553007 0.5000000), wk = 0.0028571 k( 151) = ( 0.3441975 0.3441975 0.5000000), wk = 0.0028571 k( 152) = ( 0.3330944 0.3330944 0.5000000), wk = 0.0028571 k( 153) = ( 0.3219912 0.3219912 0.5000000), wk = 0.0028571 k( 154) = ( 0.3108881 0.3108881 0.5000000), wk = 0.0028571 k( 155) = ( 0.2997849 0.2997849 0.5000000), wk = 0.0028571 k( 156) = ( 0.2886818 0.2886818 0.5000000), wk = 0.0028571 k( 157) = ( 0.2775786 0.2775786 0.5000000), wk = 0.0028571 k( 158) = ( 0.2664755 0.2664755 0.5000000), wk = 0.0028571 k( 159) = ( 0.2553724 0.2553724 0.5000000), wk = 0.0028571 k( 160) = ( 0.2442692 0.2442692 0.5000000), wk = 0.0028571 k( 161) = ( 0.2331661 0.2331661 0.5000000), wk = 0.0028571 k( 162) = ( 0.2220629 0.2220629 0.5000000), wk = 0.0028571 k( 163) = ( 0.2109598 0.2109598 0.5000000), wk = 0.0028571 k( 164) = ( 0.1998566 0.1998566 0.5000000), wk = 0.0028571 k( 165) = ( 0.1887535 0.1887535 0.5000000), wk = 0.0028571 k( 166) = ( 0.1776503 0.1776503 0.5000000), wk = 0.0028571 k( 167) = ( 0.1665472 0.1665472 0.5000000), wk = 0.0028571 k( 168) = ( 0.1554441 0.1554441 0.5000000), wk = 0.0028571 k( 169) = ( 0.1443409 0.1443409 0.5000000), wk = 0.0028571 k( 170) = ( 0.1332377 0.1332377 0.5000000), wk = 0.0028571 k( 171) = ( 0.1221346 0.1221346 0.5000000), wk = 0.0028571 k( 172) = ( 0.1110315 0.1110315 0.5000000), wk = 0.0028571 k( 173) = ( 0.0999283 0.0999283 0.5000000), wk = 0.0028571 k( 174) = ( 0.0888252 0.0888252 0.5000000), wk = 0.0028571 k( 175) = ( 0.0777220 0.0777220 0.5000000), wk = 0.0028571 k( 176) = ( 0.0666189 0.0666189 0.5000000), wk = 0.0028571 k( 177) = ( 0.0555157 0.0555157 0.5000000), wk = 0.0028571 k( 178) = ( 0.0444126 0.0444126 0.5000000), wk = 0.0028571 k( 179) = ( 0.0333094 0.0333094 0.5000000), wk = 0.0028571 k( 180) = ( 0.0222063 0.0222063 0.5000000), wk = 0.0028571 k( 181) = ( 0.0111032 0.0111032 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 0.3913044), 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 0.1086956), 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) = ( -0.4996416 0.5003584 0.0000000), wk = 0.0028571 k( 255) = ( -0.4996416 0.5003584 0.0000000), wk = 0.0028571 k( 256) = ( -0.4996416 0.5003584 0.0217391), wk = 0.0028571 k( 257) = ( -0.4996416 0.5003584 0.0434783), wk = 0.0028571 k( 258) = ( -0.4996416 0.5003584 0.0652174), wk = 0.0028571 k( 259) = ( -0.4996416 0.5003584 0.0869565), wk = 0.0028571 k( 260) = ( -0.4996416 0.5003584 0.1086956), wk = 0.0028571 k( 261) = ( -0.4996416 0.5003584 0.1304348), wk = 0.0028571 k( 262) = ( -0.4996416 0.5003584 0.1521739), wk = 0.0028571 k( 263) = ( -0.4996416 0.5003584 0.1739130), wk = 0.0028571 k( 264) = ( -0.4996416 0.5003584 0.1956522), wk = 0.0028571 k( 265) = ( -0.4996416 0.5003584 0.2173913), wk = 0.0028571 k( 266) = ( -0.4996416 0.5003584 0.2391304), wk = 0.0028571 k( 267) = ( -0.4996416 0.5003584 0.2608696), wk = 0.0028571 k( 268) = ( -0.4996416 0.5003584 0.2826087), wk = 0.0028571 k( 269) = ( -0.4996416 0.5003584 0.3043478), wk = 0.0028571 k( 270) = ( -0.4996416 0.5003584 0.3260870), wk = 0.0028571 k( 271) = ( -0.4996416 0.5003584 0.3478261), wk = 0.0028571 k( 272) = ( -0.4996416 0.5003584 0.3695652), wk = 0.0028571 k( 273) = ( -0.4996416 0.5003584 0.3913044), wk = 0.0028571 k( 274) = ( -0.4996416 0.5003584 0.4130435), wk = 0.0028571 k( 275) = ( -0.4996416 0.5003584 0.4347826), wk = 0.0028571 k( 276) = ( -0.4996416 0.5003584 0.4565217), wk = 0.0028571 k( 277) = ( -0.4996416 0.5003584 0.4782609), wk = 0.0028571 k( 278) = ( -0.4996416 0.5003584 0.5000000), wk = 0.0028571 k( 279) = ( -0.4996416 0.5003584 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 0.3913044), 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 0.1086956), 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: 118081 G-vectors FFT dimensions: ( 60, 60, 80) Smooth grid: 52297 G-vectors FFT dimensions: ( 45, 45, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 296, 76) NL pseudopotentials 0.56 Mb ( 148, 248) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2463) G-vector shells 0.01 Mb ( 1256) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 296, 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 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.8 secs Computing kpt #: 2 total cpu time spent up to now is 61.1 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 80.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.0 secs Computing kpt #: 6 total cpu time spent up to now is 100.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.2 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.7 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 155.7 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 178.1 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.8 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.0 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.8 secs Computing kpt #: 19 total cpu time spent up to now is 242.5 secs Computing kpt #: 20 total cpu time spent up to now is 249.6 secs Computing kpt #: 21 total cpu time spent up to now is 256.8 secs Computing kpt #: 22 total cpu time spent up to now is 264.0 secs Computing kpt #: 23 total cpu time spent up to now is 273.2 secs Computing kpt #: 24 total cpu time spent up to now is 280.5 secs Computing kpt #: 25 total cpu time spent up to now is 287.6 secs Computing kpt #: 26 total cpu time spent up to now is 295.1 secs Computing kpt #: 27 total cpu time spent up to now is 303.5 secs Computing kpt #: 28 total cpu time spent up to now is 311.6 secs Computing kpt #: 29 total cpu time spent up to now is 321.0 secs Computing kpt #: 30 total cpu time spent up to now is 330.4 secs Computing kpt #: 31 total cpu time spent up to now is 339.5 secs Computing kpt #: 32 total cpu time spent up to now is 349.9 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.9 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.9 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.2 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.6 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.8 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.9 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 441.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.1 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.2 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 474.3 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 485.4 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.5 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.6 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.6 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 529.7 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 552.4 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.8 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.1 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.4 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.8 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 609.2 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.5 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.1 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 643.5 secs Computing kpt #: 59 total cpu time spent up to now is 654.1 secs Computing kpt #: 60 total cpu time spent up to now is 664.1 secs Computing kpt #: 61 total cpu time spent up to now is 673.7 secs Computing kpt #: 62 total cpu time spent up to now is 682.3 secs Computing kpt #: 63 total cpu time spent up to now is 690.3 secs Computing kpt #: 64 total cpu time spent up to now is 698.4 secs Computing kpt #: 65 total cpu time spent up to now is 706.9 secs Computing kpt #: 66 total cpu time spent up to now is 714.9 secs Computing kpt #: 67 total cpu time spent up to now is 724.2 secs Computing kpt #: 68 total cpu time spent up to now is 732.2 secs Computing kpt #: 69 total cpu time spent up to now is 740.5 secs Computing kpt #: 70 total cpu time spent up to now is 748.6 secs Computing kpt #: 71 total cpu time spent up to now is 757.2 secs Computing kpt #: 72 total cpu time spent up to now is 766.7 secs Computing kpt #: 73 total cpu time spent up to now is 777.7 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 789.3 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 800.7 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.3 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 823.6 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.9 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 845.8 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 856.7 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 868.6 secs Computing kpt #: 82 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 880.6 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 892.8 secs Computing kpt #: 84 total cpu time spent up to now is 904.5 secs Computing kpt #: 85 total cpu time spent up to now is 915.3 secs Computing kpt #: 86 total cpu time spent up to now is 925.0 secs Computing kpt #: 87 total cpu time spent up to now is 933.8 secs Computing kpt #: 88 total cpu time spent up to now is 942.4 secs Computing kpt #: 89 total cpu time spent up to now is 950.7 secs Computing kpt #: 90 total cpu time spent up to now is 959.2 secs Computing kpt #: 91 total cpu time spent up to now is 967.4 secs Computing kpt #: 92 total cpu time spent up to now is 974.7 secs Computing kpt #: 93 total cpu time spent up to now is 982.2 secs Computing kpt #: 94 total cpu time spent up to now is 989.4 secs Computing kpt #: 95 total cpu time spent up to now is 996.8 secs Computing kpt #: 96 total cpu time spent up to now is 1004.0 secs Computing kpt #: 97 total cpu time spent up to now is 1011.3 secs Computing kpt #: 98 total cpu time spent up to now is 1018.2 secs Computing kpt #: 99 total cpu time spent up to now is 1026.8 secs Computing kpt #: 100 total cpu time spent up to now is 1034.3 secs Computing kpt #: 101 total cpu time spent up to now is 1041.6 secs Computing kpt #: 102 total cpu time spent up to now is 1049.2 secs Computing kpt #: 103 total cpu time spent up to now is 1056.3 secs Computing kpt #: 104 total cpu time spent up to now is 1063.4 secs Computing kpt #: 105 total cpu time spent up to now is 1070.6 secs Computing kpt #: 106 total cpu time spent up to now is 1077.7 secs Computing kpt #: 107 total cpu time spent up to now is 1084.5 secs Computing kpt #: 108 total cpu time spent up to now is 1091.9 secs Computing kpt #: 109 total cpu time spent up to now is 1099.2 secs Computing kpt #: 110 total cpu time spent up to now is 1106.4 secs Computing kpt #: 111 total cpu time spent up to now is 1113.5 secs Computing kpt #: 112 total cpu time spent up to now is 1120.4 secs Computing kpt #: 113 total cpu time spent up to now is 1127.5 secs Computing kpt #: 114 total cpu time spent up to now is 1134.7 secs Computing kpt #: 115 total cpu time spent up to now is 1141.7 secs Computing kpt #: 116 total cpu time spent up to now is 1148.9 secs Computing kpt #: 117 total cpu time spent up to now is 1156.2 secs Computing kpt #: 118 total cpu time spent up to now is 1164.2 secs Computing kpt #: 119 total cpu time spent up to now is 1171.6 secs Computing kpt #: 120 total cpu time spent up to now is 1179.0 secs Computing kpt #: 121 total cpu time spent up to now is 1186.4 secs Computing kpt #: 122 total cpu time spent up to now is 1194.3 secs Computing kpt #: 123 total cpu time spent up to now is 1202.1 secs Computing kpt #: 124 total cpu time spent up to now is 1210.1 secs Computing kpt #: 125 total cpu time spent up to now is 1218.1 secs Computing kpt #: 126 total cpu time spent up to now is 1225.8 secs Computing kpt #: 127 total cpu time spent up to now is 1234.1 secs Computing kpt #: 128 total cpu time spent up to now is 1242.4 secs Computing kpt #: 129 total cpu time spent up to now is 1252.0 secs Computing kpt #: 130 total cpu time spent up to now is 1261.0 secs Computing kpt #: 131 total cpu time spent up to now is 1269.9 secs Computing kpt #: 132 total cpu time spent up to now is 1278.5 secs Computing kpt #: 133 total cpu time spent up to now is 1288.0 secs Computing kpt #: 134 total cpu time spent up to now is 1296.5 secs Computing kpt #: 135 total cpu time spent up to now is 1304.6 secs Computing kpt #: 136 total cpu time spent up to now is 1312.7 secs Computing kpt #: 137 total cpu time spent up to now is 1321.2 secs Computing kpt #: 138 total cpu time spent up to now is 1331.3 secs Computing kpt #: 139 total cpu time spent up to now is 1339.7 secs Computing kpt #: 140 total cpu time spent up to now is 1348.2 secs Computing kpt #: 141 total cpu time spent up to now is 1356.3 secs Computing kpt #: 142 total cpu time spent up to now is 1364.5 secs Computing kpt #: 143 total cpu time spent up to now is 1372.2 secs Computing kpt #: 144 total cpu time spent up to now is 1379.8 secs Computing kpt #: 145 total cpu time spent up to now is 1387.3 secs Computing kpt #: 146 total cpu time spent up to now is 1395.2 secs Computing kpt #: 147 total cpu time spent up to now is 1402.9 secs Computing kpt #: 148 total cpu time spent up to now is 1410.6 secs Computing kpt #: 149 total cpu time spent up to now is 1418.3 secs Computing kpt #: 150 total cpu time spent up to now is 1426.8 secs Computing kpt #: 151 total cpu time spent up to now is 1434.9 secs Computing kpt #: 152 total cpu time spent up to now is 1443.2 secs Computing kpt #: 153 total cpu time spent up to now is 1452.4 secs Computing kpt #: 154 total cpu time spent up to now is 1461.8 secs Computing kpt #: 155 total cpu time spent up to now is 1471.3 secs Computing kpt #: 156 total cpu time spent up to now is 1481.2 secs Computing kpt #: 157 total cpu time spent up to now is 1490.9 secs Computing kpt #: 158 total cpu time spent up to now is 1500.9 secs Computing kpt #: 159 total cpu time spent up to now is 1510.8 secs Computing kpt #: 160 total cpu time spent up to now is 1520.1 secs Computing kpt #: 161 total cpu time spent up to now is 1529.8 secs Computing kpt #: 162 total cpu time spent up to now is 1539.1 secs Computing kpt #: 163 total cpu time spent up to now is 1548.5 secs Computing kpt #: 164 total cpu time spent up to now is 1558.4 secs Computing kpt #: 165 total cpu time spent up to now is 1567.5 secs Computing kpt #: 166 total cpu time spent up to now is 1576.2 secs Computing kpt #: 167 total cpu time spent up to now is 1584.6 secs Computing kpt #: 168 total cpu time spent up to now is 1592.7 secs Computing kpt #: 169 total cpu time spent up to now is 1600.6 secs Computing kpt #: 170 total cpu time spent up to now is 1608.6 secs Computing kpt #: 171 total cpu time spent up to now is 1616.5 secs Computing kpt #: 172 total cpu time spent up to now is 1624.6 secs Computing kpt #: 173 total cpu time spent up to now is 1632.6 secs Computing kpt #: 174 total cpu time spent up to now is 1640.3 secs Computing kpt #: 175 total cpu time spent up to now is 1648.0 secs Computing kpt #: 176 total cpu time spent up to now is 1655.3 secs Computing kpt #: 177 total cpu time spent up to now is 1662.5 secs Computing kpt #: 178 total cpu time spent up to now is 1669.3 secs Computing kpt #: 179 total cpu time spent up to now is 1676.3 secs Computing kpt #: 180 total cpu time spent up to now is 1683.2 secs Computing kpt #: 181 total cpu time spent up to now is 1690.1 secs Computing kpt #: 182 total cpu time spent up to now is 1696.5 secs Computing kpt #: 183 total cpu time spent up to now is 1702.9 secs Computing kpt #: 184 total cpu time spent up to now is 1709.3 secs Computing kpt #: 185 total cpu time spent up to now is 1716.1 secs Computing kpt #: 186 total cpu time spent up to now is 1722.6 secs Computing kpt #: 187 total cpu time spent up to now is 1729.4 secs Computing kpt #: 188 total cpu time spent up to now is 1736.5 secs Computing kpt #: 189 total cpu time spent up to now is 1743.9 secs Computing kpt #: 190 total cpu time spent up to now is 1752.0 secs Computing kpt #: 191 total cpu time spent up to now is 1760.2 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1771.9 secs Computing kpt #: 193 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1783.9 secs Computing kpt #: 194 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1796.0 secs Computing kpt #: 195 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1808.0 secs Computing kpt #: 196 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1820.0 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1831.3 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1842.3 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1853.3 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1864.3 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1875.3 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1886.1 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1896.9 secs Computing kpt #: 204 total cpu time spent up to now is 1906.3 secs Computing kpt #: 205 total cpu time spent up to now is 1915.7 secs Computing kpt #: 206 total cpu time spent up to now is 1925.2 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1935.8 secs Computing kpt #: 208 total cpu time spent up to now is 1945.4 secs Computing kpt #: 209 total cpu time spent up to now is 1954.2 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1965.2 secs Computing kpt #: 211 total cpu time spent up to now is 1974.5 secs Computing kpt #: 212 total cpu time spent up to now is 1983.2 secs Computing kpt #: 213 total cpu time spent up to now is 1990.5 secs Computing kpt #: 214 total cpu time spent up to now is 1998.3 secs Computing kpt #: 215 total cpu time spent up to now is 2005.6 secs Computing kpt #: 216 total cpu time spent up to now is 2012.6 secs Computing kpt #: 217 total cpu time spent up to now is 2020.3 secs Computing kpt #: 218 total cpu time spent up to now is 2027.1 secs Computing kpt #: 219 total cpu time spent up to now is 2033.9 secs Computing kpt #: 220 total cpu time spent up to now is 2040.7 secs Computing kpt #: 221 total cpu time spent up to now is 2047.3 secs Computing kpt #: 222 total cpu time spent up to now is 2054.0 secs Computing kpt #: 223 total cpu time spent up to now is 2060.5 secs Computing kpt #: 224 total cpu time spent up to now is 2067.1 secs Computing kpt #: 225 total cpu time spent up to now is 2073.8 secs Computing kpt #: 226 total cpu time spent up to now is 2080.6 secs Computing kpt #: 227 total cpu time spent up to now is 2087.4 secs Computing kpt #: 228 total cpu time spent up to now is 2094.2 secs Computing kpt #: 229 total cpu time spent up to now is 2101.1 secs Computing kpt #: 230 total cpu time spent up to now is 2108.2 secs Computing kpt #: 231 total cpu time spent up to now is 2115.9 secs Computing kpt #: 232 total cpu time spent up to now is 2123.1 secs Computing kpt #: 233 total cpu time spent up to now is 2131.0 secs Computing kpt #: 234 total cpu time spent up to now is 2140.2 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2151.4 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2162.5 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2173.7 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2186.5 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2197.9 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2209.2 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2220.4 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2233.7 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2244.7 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2255.9 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2267.1 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2278.4 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2289.6 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2300.7 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2311.8 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2323.0 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2334.0 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2345.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2355.5 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2366.5 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2377.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2388.8 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2400.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2411.7 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2423.0 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2434.3 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2445.7 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2457.0 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2468.2 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2479.3 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2490.5 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2501.9 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2513.0 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2525.4 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2536.9 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2548.2 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2559.5 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2570.8 secs Computing kpt #: 273 total cpu time spent up to now is 2581.3 secs Computing kpt #: 274 total cpu time spent up to now is 2590.0 secs Computing kpt #: 275 total cpu time spent up to now is 2598.4 secs Computing kpt #: 276 total cpu time spent up to now is 2607.1 secs Computing kpt #: 277 total cpu time spent up to now is 2615.9 secs Computing kpt #: 278 total cpu time spent up to now is 2624.2 secs Computing kpt #: 279 total cpu time spent up to now is 2632.2 secs Computing kpt #: 280 total cpu time spent up to now is 2640.6 secs Computing kpt #: 281 total cpu time spent up to now is 2648.8 secs Computing kpt #: 282 total cpu time spent up to now is 2658.1 secs Computing kpt #: 283 total cpu time spent up to now is 2666.5 secs Computing kpt #: 284 total cpu time spent up to now is 2675.0 secs Computing kpt #: 285 total cpu time spent up to now is 2684.0 secs Computing kpt #: 286 total cpu time spent up to now is 2694.4 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2705.8 secs Computing kpt #: 288 total cpu time spent up to now is 2717.2 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2728.2 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2739.3 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2750.1 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2761.4 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2772.5 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2783.7 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2794.8 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2806.1 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2817.3 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2830.8 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2842.1 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2853.5 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2864.9 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2876.2 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2887.5 secs Computing kpt #: 304 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2898.1 secs Computing kpt #: 305 total cpu time spent up to now is 2904.5 secs Computing kpt #: 306 total cpu time spent up to now is 2911.1 secs Computing kpt #: 307 total cpu time spent up to now is 2917.8 secs Computing kpt #: 308 total cpu time spent up to now is 2924.2 secs Computing kpt #: 309 total cpu time spent up to now is 2931.2 secs Computing kpt #: 310 total cpu time spent up to now is 2937.9 secs Computing kpt #: 311 total cpu time spent up to now is 2945.3 secs Computing kpt #: 312 total cpu time spent up to now is 2953.8 secs Computing kpt #: 313 total cpu time spent up to now is 2960.9 secs Computing kpt #: 314 total cpu time spent up to now is 2968.0 secs Computing kpt #: 315 total cpu time spent up to now is 2975.0 secs Computing kpt #: 316 total cpu time spent up to now is 2982.9 secs Computing kpt #: 317 total cpu time spent up to now is 2990.6 secs Computing kpt #: 318 total cpu time spent up to now is 2998.5 secs Computing kpt #: 319 total cpu time spent up to now is 3006.2 secs Computing kpt #: 320 total cpu time spent up to now is 3014.4 secs Computing kpt #: 321 total cpu time spent up to now is 3023.4 secs Computing kpt #: 322 total cpu time spent up to now is 3033.0 secs Computing kpt #: 323 total cpu time spent up to now is 3042.9 secs Computing kpt #: 324 total cpu time spent up to now is 3053.3 secs Computing kpt #: 325 total cpu time spent up to now is 3063.2 secs Computing kpt #: 326 total cpu time spent up to now is 3073.7 secs Computing kpt #: 327 total cpu time spent up to now is 3084.3 secs Computing kpt #: 328 total cpu time spent up to now is 3094.8 secs Computing kpt #: 329 total cpu time spent up to now is 3106.0 secs Computing kpt #: 330 total cpu time spent up to now is 3117.1 secs Computing kpt #: 331 total cpu time spent up to now is 3130.1 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3141.2 secs Computing kpt #: 333 total cpu time spent up to now is 3152.3 secs Computing kpt #: 334 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 3163.7 secs Computing kpt #: 335 total cpu time spent up to now is 3175.0 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3186.3 secs Computing kpt #: 337 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3197.5 secs Computing kpt #: 338 total cpu time spent up to now is 3208.6 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3219.7 secs Computing kpt #: 340 total cpu time spent up to now is 3230.5 secs Computing kpt #: 341 total cpu time spent up to now is 3241.2 secs Computing kpt #: 342 total cpu time spent up to now is 3251.6 secs Computing kpt #: 343 total cpu time spent up to now is 3260.9 secs Computing kpt #: 344 total cpu time spent up to now is 3271.5 secs Computing kpt #: 345 total cpu time spent up to now is 3282.3 secs Computing kpt #: 346 total cpu time spent up to now is 3292.9 secs Computing kpt #: 347 total cpu time spent up to now is 3304.0 secs Computing kpt #: 348 total cpu time spent up to now is 3312.8 secs Computing kpt #: 349 total cpu time spent up to now is 3320.9 secs Computing kpt #: 350 total cpu time spent up to now is 3329.2 secs ethr = 1.56E-11, avg # of iterations = 88.3 total cpu time spent up to now is 3329.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6553 PWs) bands (ev): -19.5082 -19.5082 -19.2703 -19.2703 -17.1651 -17.1651 -16.7575 -16.7575 -16.6610 -16.6610 -16.6585 -16.6585 -16.6479 -16.6479 -16.6436 -16.6436 -8.3143 -8.3143 -6.8705 -6.8705 -5.8891 -5.8891 -4.8929 -4.8929 -4.8175 -4.8175 -4.7726 -4.7726 -4.3978 -4.3978 -4.2661 -4.2661 -1.9564 -1.9564 -1.9412 -1.9412 -1.9383 -1.9383 -1.4044 -1.4044 -1.3939 -1.3939 -1.1355 -1.1355 -0.9244 -0.9244 -0.9056 -0.9056 -0.8696 -0.8696 -0.8003 -0.8003 0.0768 0.0768 0.2140 0.2140 0.4956 0.4956 0.7995 0.7995 0.8651 0.8651 1.0580 1.0580 6.8336 6.8336 9.4573 9.4573 10.3143 10.3143 10.4174 10.4174 10.4291 10.4291 10.7573 10.7573 k = 0.0111 0.0111-0.0000 ( 6561 PWs) bands (ev): -19.5079 -19.5079 -19.2702 -19.2702 -17.1652 -17.1649 -16.7575 -16.7575 -16.6631 -16.6609 -16.6592 -16.6572 -16.6481 -16.6479 -16.6437 -16.6437 -8.3132 -8.3132 -6.8706 -6.8704 -5.8892 -5.8887 -4.8925 -4.8921 -4.8183 -4.8182 -4.7722 -4.7719 -4.3978 -4.3978 -4.2666 -4.2663 -1.9586 -1.9544 -1.9427 -1.9410 -1.9387 -1.9375 -1.4046 -1.4045 -1.3935 -1.3929 -1.1355 -1.1350 -0.9272 -0.9222 -0.9091 -0.9026 -0.8713 -0.8707 -0.8004 -0.7997 0.0760 0.0769 0.2142 0.2154 0.4949 0.4951 0.7989 0.7990 0.8645 0.8647 1.0572 1.0576 6.8362 6.8362 9.4587 9.4593 10.3145 10.3148 10.4173 10.4178 10.4281 10.4286 10.7594 10.7595 k = 0.0222 0.0222-0.0000 ( 6553 PWs) bands (ev): -19.5072 -19.5072 -19.2702 -19.2701 -17.1651 -17.1645 -16.7576 -16.7575 -16.6658 -16.6635 -16.6583 -16.6564 -16.6484 -16.6480 -16.6439 -16.6438 -8.3097 -8.3097 -6.8707 -6.8703 -5.8889 -5.8879 -4.8909 -4.8902 -4.8205 -4.8204 -4.7705 -4.7699 -4.3979 -4.3978 -4.2677 -4.2671 -1.9606 -1.9530 -1.9442 -1.9435 -1.9395 -1.9351 -1.4049 -1.4049 -1.3917 -1.3905 -1.1352 -1.1341 -0.9305 -0.9207 -0.9128 -0.9000 -0.8758 -0.8745 -0.7999 -0.7984 0.0746 0.0763 0.2159 0.2182 0.4931 0.4935 0.7973 0.7974 0.8630 0.8634 1.0552 1.0558 6.8439 6.8439 9.4634 9.4646 10.3155 10.3159 10.4176 10.4187 10.4257 10.4268 10.7656 10.7658 k = 0.0333 0.0333-0.0000 ( 6549 PWs) bands (ev): -19.5059 -19.5059 -19.2701 -19.2700 -17.1649 -17.1640 -16.7577 -16.7576 -16.6693 -16.6670 -16.6577 -16.6561 -16.6487 -16.6481 -16.6442 -16.6440 -8.3038 -8.3038 -6.8707 -6.8701 -5.8882 -5.8867 -4.8882 -4.8871 -4.8243 -4.8241 -4.7677 -4.7668 -4.3979 -4.3978 -4.2694 -4.2685 -1.9624 -1.9525 -1.9478 -1.9469 -1.9392 -1.9321 -1.4055 -1.4054 -1.3886 -1.3868 -1.1345 -1.1328 -0.9343 -0.9201 -0.9169 -0.8980 -0.8830 -0.8807 -0.7987 -0.7965 0.0727 0.0752 0.2191 0.2224 0.4901 0.4907 0.7945 0.7947 0.8606 0.8612 1.0519 1.0528 6.8567 6.8567 9.4714 9.4731 10.3170 10.3176 10.4183 10.4200 10.4223 10.4239 10.7758 10.7762 k = 0.0444 0.0444-0.0000 ( 6555 PWs) bands (ev): -19.5041 -19.5041 -19.2700 -19.2699 -17.1644 -17.1633 -16.7579 -16.7578 -16.6735 -16.6712 -16.6575 -16.6562 -16.6491 -16.6485 -16.6446 -16.6443 -8.2957 -8.2956 -6.8707 -6.8699 -5.8872 -5.8852 -4.8843 -4.8829 -4.8296 -4.8292 -4.7636 -4.7624 -4.3979 -4.3978 -4.2717 -4.2705 -1.9641 -1.9535 -1.9531 -1.9512 -1.9371 -1.9287 -1.4063 -1.4062 -1.3843 -1.3820 -1.1334 -1.1312 -0.9386 -0.9215 -0.9210 -0.8972 -0.8923 -0.8889 -0.7967 -0.7937 0.0705 0.0735 0.2235 0.2278 0.4859 0.4868 0.7907 0.7910 0.8573 0.8580 1.0473 1.0486 6.8746 6.8746 9.4826 9.4849 10.3189 10.3197 10.4181 10.4190 10.4206 10.4216 10.7896 10.7901 k = 0.0555 0.0556-0.0000 ( 6553 PWs) bands (ev): -19.5018 -19.5018 -19.2698 -19.2697 -17.1639 -17.1625 -16.7582 -16.7581 -16.6784 -16.6762 -16.6576 -16.6568 -16.6497 -16.6489 -16.6451 -16.6448 -8.2852 -8.2852 -6.8706 -6.8697 -5.8858 -5.8834 -4.8793 -4.8776 -4.8363 -4.8359 -4.7584 -4.7568 -4.3980 -4.3978 -4.2745 -4.2731 -1.9655 -1.9603 -1.9578 -1.9533 -1.9338 -1.9251 -1.4072 -1.4071 -1.3792 -1.3763 -1.1319 -1.1292 -0.9436 -0.9267 -0.9243 -0.9058 -0.8977 -0.8953 -0.7938 -0.7902 0.0680 0.0716 0.2292 0.2342 0.4807 0.4818 0.7859 0.7862 0.8531 0.8540 1.0416 1.0432 6.8975 6.8975 9.4969 9.4998 10.3210 10.3220 10.4139 10.4162 10.4212 10.4236 10.8066 10.8073 k = 0.0666 0.0667-0.0000 ( 6547 PWs) bands (ev): -19.4989 -19.4989 -19.2696 -19.2694 -17.1631 -17.1615 -16.7585 -16.7583 -16.6841 -16.6821 -16.6581 -16.6577 -16.6503 -16.6495 -16.6457 -16.6453 -8.2725 -8.2724 -6.8706 -6.8695 -5.8842 -5.8813 -4.8734 -4.8713 -4.8444 -4.8438 -4.7519 -4.7501 -4.3979 -4.3978 -4.2778 -4.2762 -1.9681 -1.9666 -1.9648 -1.9542 -1.9301 -1.9213 -1.4083 -1.4082 -1.3734 -1.3700 -1.1302 -1.1269 -0.9498 -0.9354 -0.9296 -0.9198 -0.9050 -0.8958 -0.7898 -0.7856 0.0656 0.0695 0.2358 0.2415 0.4745 0.4758 0.7800 0.7804 0.8481 0.8492 1.0347 1.0366 6.9253 6.9253 9.5143 9.5177 10.3228 10.3238 10.4103 10.4131 10.4230 10.4260 10.8263 10.8272 k = 0.0777 0.0778-0.0000 ( 6547 PWs) bands (ev): -19.4956 -19.4956 -19.2694 -19.2691 -17.1623 -17.1603 -16.7589 -16.7587 -16.6907 -16.6887 -16.6590 -16.6589 -16.6510 -16.6501 -16.6463 -16.6459 -8.2575 -8.2574 -6.8706 -6.8692 -5.8822 -5.8789 -4.8673 -4.8650 -4.8530 -4.8523 -4.7443 -4.7422 -4.3979 -4.3977 -4.2816 -4.2796 -1.9765 -1.9727 -1.9677 -1.9549 -1.9259 -1.9174 -1.4094 -1.4093 -1.3672 -1.3634 -1.1281 -1.1244 -0.9583 -0.9496 -0.9351 -0.9344 -0.9103 -0.8972 -0.7848 -0.7801 0.0632 0.0674 0.2433 0.2496 0.4674 0.4689 0.7731 0.7735 0.8422 0.8436 1.0267 1.0290 6.9578 6.9578 9.5347 9.5386 10.3237 10.3247 10.4082 10.4112 10.4253 10.4286 10.8482 10.8493 k = 0.0888 0.0889-0.0000 ( 6543 PWs) bands (ev): -19.4919 -19.4919 -19.2691 -19.2688 -17.1612 -17.1590 -16.7593 -16.7590 -16.6980 -16.6961 -16.6606 -16.6600 -16.6518 -16.6509 -16.6471 -16.6466 -8.2402 -8.2402 -6.8706 -6.8690 -5.8801 -5.8763 -4.8686 -4.8681 -4.8539 -4.8524 -4.7356 -4.7332 -4.3979 -4.3976 -4.2856 -4.2834 -1.9853 -1.9811 -1.9686 -1.9557 -1.9217 -1.9134 -1.4105 -1.4105 -1.3609 -1.3567 -1.1259 -1.1217 -0.9720 -0.9683 -0.9467 -0.9407 -0.9148 -0.8996 -0.7786 -0.7736 0.0610 0.0654 0.2515 0.2582 0.4595 0.4612 0.7651 0.7656 0.8356 0.8372 1.0177 1.0202 6.9950 6.9950 9.5578 9.5622 10.3231 10.3238 10.4085 10.4116 10.4278 10.4313 10.8715 10.8728 k = 0.0999 0.1000-0.0000 ( 6549 PWs) bands (ev): -19.4876 -19.4876 -19.2688 -19.2685 -17.1600 -17.1576 -16.7597 -16.7595 -16.7061 -16.7044 -16.6624 -16.6614 -16.6526 -16.6517 -16.6479 -16.6473 -8.2208 -8.2207 -6.8705 -6.8689 -5.8777 -5.8735 -4.8801 -4.8799 -4.8459 -4.8435 -4.7257 -4.7231 -4.3977 -4.3975 -4.2900 -4.2875 -1.9944 -1.9898 -1.9694 -1.9565 -1.9174 -1.9095 -1.4116 -1.4115 -1.3547 -1.3502 -1.1235 -1.1189 -0.9914 -0.9901 -0.9556 -0.9466 -0.9195 -0.9032 -0.7714 -0.7662 0.0592 0.0638 0.2603 0.2674 0.4509 0.4528 0.7562 0.7568 0.8283 0.8301 1.0076 1.0105 7.0368 7.0368 9.5836 9.5884 10.3205 10.3209 10.4117 10.4146 10.4306 10.4341 10.8953 10.8969 k = 0.1110 0.1111-0.0000 ( 6545 PWs) bands (ev): -19.4829 -19.4829 -19.2684 -19.2681 -17.1587 -17.1560 -16.7602 -16.7600 -16.7150 -16.7133 -16.6645 -16.6630 -16.6536 -16.6526 -16.6488 -16.6482 -8.1993 -8.1992 -6.8706 -6.8687 -5.8751 -5.8705 -4.8943 -4.8938 -4.8356 -4.8328 -4.7148 -4.7119 -4.3975 -4.3973 -4.2944 -4.2918 -2.0035 -1.9985 -1.9702 -1.9572 -1.9131 -1.9057 -1.4125 -1.4124 -1.3489 -1.3441 -1.1210 -1.1161 -1.0148 -1.0143 -0.9630 -0.9528 -0.9248 -0.9079 -0.7633 -0.7579 0.0579 0.0624 0.2696 0.2770 0.4417 0.4438 0.7463 0.7470 0.8204 0.8223 0.9966 0.9998 7.0829 7.0829 9.6119 9.6171 10.3158 10.3159 10.4179 10.4202 10.4335 10.4367 10.9184 10.9204 k = 0.1221 0.1222-0.0000 ( 6543 PWs) bands (ev): -19.4778 -19.4778 -19.2680 -19.2677 -17.1573 -17.1543 -16.7608 -16.7605 -16.7246 -16.7230 -16.6668 -16.6649 -16.6546 -16.6537 -16.6497 -16.6490 -8.1756 -8.1755 -6.8706 -6.8687 -5.8724 -5.8674 -4.9101 -4.9095 -4.8240 -4.8210 -4.7028 -4.6997 -4.3972 -4.3969 -4.2990 -4.2961 -2.0125 -2.0071 -1.9710 -1.9581 -1.9090 -1.9020 -1.4133 -1.4131 -1.3438 -1.3386 -1.1185 -1.1133 -1.0408 -1.0404 -0.9699 -0.9593 -0.9309 -0.9137 -0.7545 -0.7490 0.0570 0.0616 0.2793 0.2870 0.4321 0.4344 0.7355 0.7362 0.8118 0.8140 0.9848 0.9883 7.1332 7.1332 9.6423 9.6480 10.3090 10.3097 10.4266 10.4271 10.4375 10.4389 10.9388 10.9415 k = 0.1332 0.1333-0.0000 ( 6541 PWs) bands (ev): -19.4723 -19.4722 -19.2676 -19.2673 -17.1557 -17.1525 -16.7614 -16.7611 -16.7349 -16.7334 -16.6694 -16.6671 -16.6558 -16.6548 -16.6507 -16.6500 -8.1499 -8.1498 -6.8708 -6.8686 -5.8696 -5.8642 -4.9274 -4.9267 -4.8114 -4.8081 -4.6898 -4.6865 -4.3968 -4.3965 -4.3035 -4.3004 -2.0210 -2.0154 -1.9719 -1.9592 -1.9051 -1.8987 -1.4138 -1.4134 -1.3394 -1.3339 -1.1162 -1.1111 -1.0684 -1.0679 -0.9767 -0.9661 -0.9377 -0.9205 -0.7453 -0.7397 0.0566 0.0612 0.2893 0.2973 0.4222 0.4247 0.7238 0.7246 0.8027 0.8051 0.9722 0.9760 7.1875 7.1875 9.6748 9.6808 10.3009 10.3021 10.4318 10.4357 10.4421 10.4452 10.9538 10.9586 k = 0.1443 0.1444-0.0000 ( 6539 PWs) bands (ev): -19.4663 -19.4663 -19.2672 -19.2668 -17.1540 -17.1506 -16.7622 -16.7618 -16.7457 -16.7443 -16.6721 -16.6694 -16.6570 -16.6559 -16.6517 -16.6510 -8.1221 -8.1220 -6.8710 -6.8687 -5.8668 -5.8610 -4.9463 -4.9455 -4.7978 -4.7943 -4.6759 -4.6723 -4.3963 -4.3960 -4.3078 -4.3046 -2.0291 -2.0232 -1.9730 -1.9605 -1.9015 -1.8957 -1.4140 -1.4135 -1.3359 -1.3301 -1.1156 -1.1124 -1.0959 -1.0933 -0.9836 -0.9733 -0.9454 -0.9283 -0.7358 -0.7302 0.0569 0.0615 0.2996 0.3078 0.4123 0.4149 0.7113 0.7121 0.7932 0.7958 0.9588 0.9629 7.2457 7.2457 9.7091 9.7153 10.2920 10.2938 10.4329 10.4380 10.4523 10.4569 10.9601 10.9655 k = 0.1554 0.1556-0.0000 ( 6539 PWs) bands (ev): -19.4600 -19.4600 -19.2667 -19.2663 -17.1521 -17.1485 -16.7636 -16.7631 -16.7565 -16.7553 -16.6750 -16.6720 -16.6582 -16.6572 -16.6528 -16.6520 -8.0925 -8.0923 -6.8712 -6.8689 -5.8640 -5.8578 -4.9666 -4.9657 -4.7833 -4.7796 -4.6610 -4.6573 -4.3956 -4.3953 -4.3119 -4.3085 -2.0364 -2.0304 -1.9743 -1.9620 -1.8983 -1.8931 -1.4138 -1.4131 -1.3335 -1.3273 -1.1337 -1.1330 -1.1069 -1.1002 -0.9906 -0.9807 -0.9539 -0.9371 -0.7264 -0.7208 0.0578 0.0623 0.3102 0.3186 0.4025 0.4053 0.6978 0.6987 0.7833 0.7861 0.9449 0.9493 7.3076 7.3076 9.7448 9.7512 10.2826 10.2849 10.4317 10.4364 10.4660 10.4708 10.9623 10.9647 k = 0.1665 0.1667-0.0000 ( 6543 PWs) bands (ev): -19.4533 -19.4533 -19.2662 -19.2658 -17.1502 -17.1464 -16.7709 -16.7698 -16.7621 -16.7615 -16.6781 -16.6747 -16.6596 -16.6585 -16.6538 -16.6531 -8.0609 -8.0608 -6.8716 -6.8691 -5.8612 -5.8547 -4.9885 -4.9875 -4.7679 -4.7640 -4.6453 -4.6415 -4.3947 -4.3944 -4.3157 -4.3121 -2.0431 -2.0368 -1.9760 -1.9640 -1.8954 -1.8910 -1.4133 -1.4124 -1.3323 -1.3257 -1.1647 -1.1638 -1.1054 -1.0986 -0.9977 -0.9885 -0.9631 -0.9467 -0.7174 -0.7116 0.0593 0.0638 0.3210 0.3295 0.3930 0.3960 0.6836 0.6846 0.7731 0.7761 0.9305 0.9351 7.3728 7.3729 9.7816 9.7881 10.2729 10.2757 10.4282 10.4324 10.4806 10.4856 10.9508 10.9524 k = 0.1777 0.1778-0.0000 ( 6533 PWs) bands (ev): -19.4463 -19.4463 -19.2657 -19.2653 -17.1482 -17.1441 -16.7831 -16.7820 -16.7633 -16.7628 -16.6813 -16.6776 -16.6609 -16.6599 -16.6549 -16.6542 -8.0275 -8.0274 -6.8721 -6.8695 -5.8585 -5.8517 -5.0118 -5.0106 -4.7516 -4.7477 -4.6289 -4.6249 -4.3937 -4.3933 -4.3190 -4.3153 -2.0488 -2.0424 -1.9780 -1.9665 -1.8930 -1.8893 -1.4125 -1.4112 -1.3324 -1.3253 -1.1974 -1.1965 -1.1029 -1.0960 -1.0050 -0.9967 -0.9727 -0.9570 -0.7089 -0.7032 0.0615 0.0659 0.3320 0.3406 0.3842 0.3873 0.6686 0.6696 0.7626 0.7659 0.9155 0.9205 7.4414 7.4414 9.8191 9.8257 10.2631 10.2664 10.4223 10.4259 10.4951 10.5006 10.9320 10.9328 k = 0.1888 0.1889-0.0000 ( 6519 PWs) bands (ev): -19.4390 -19.4390 -19.2652 -19.2647 -17.1460 -17.1418 -16.7961 -16.7951 -16.7641 -16.7637 -16.6846 -16.6807 -16.6624 -16.6614 -16.6560 -16.6553 -7.9924 -7.9922 -6.8727 -6.8700 -5.8559 -5.8489 -5.0365 -5.0353 -4.7347 -4.7306 -4.6116 -4.6075 -4.3924 -4.3921 -4.3217 -4.3179 -2.0535 -2.0470 -1.9806 -1.9695 -1.8909 -1.8881 -1.4114 -1.4098 -1.3337 -1.3261 -1.2310 -1.2299 -1.1001 -1.0931 -1.0124 -1.0056 -0.9827 -0.9681 -0.7014 -0.6956 0.0643 0.0686 0.3430 0.3518 0.3762 0.3794 0.6529 0.6540 0.7520 0.7555 0.9003 0.9055 7.5129 7.5129 9.8569 9.8635 10.2533 10.2571 10.4141 10.4170 10.5089 10.5148 10.9090 10.9093 k = 0.1999 0.2000-0.0000 ( 6521 PWs) bands (ev): -19.4314 -19.4314 -19.2646 -19.2642 -17.1438 -17.1394 -16.8096 -16.8086 -16.7649 -16.7644 -16.6881 -16.6839 -16.6639 -16.6630 -16.6571 -16.6564 -7.9555 -7.9554 -6.8734 -6.8706 -5.8536 -5.8462 -5.0626 -5.0613 -4.7170 -4.7129 -4.5938 -4.5896 -4.3909 -4.3906 -4.3239 -4.3200 -2.0572 -2.0506 -1.9837 -1.9731 -1.8894 -1.8874 -1.4103 -1.4084 -1.3365 -1.3282 -1.2649 -1.2636 -1.0970 -1.0900 -1.0202 -1.0152 -0.9927 -0.9797 -0.6950 -0.6892 0.0678 0.0720 0.3534 0.3624 0.3700 0.3730 0.6366 0.6377 0.7413 0.7449 0.8847 0.8902 7.5873 7.5873 9.8943 9.9007 10.2435 10.2480 10.4038 10.4059 10.5206 10.5270 10.8847 10.8861 k = 0.2110 0.2111-0.0000 ( 6525 PWs) bands (ev): -19.4236 -19.4236 -19.2641 -19.2636 -17.1414 -17.1369 -16.8236 -16.8226 -16.7656 -16.7652 -16.6916 -16.6872 -16.6654 -16.6645 -16.6582 -16.6576 -7.9171 -7.9169 -6.8742 -6.8714 -5.8514 -5.8439 -5.0902 -5.0888 -4.6988 -4.6946 -4.5753 -4.5710 -4.3891 -4.3889 -4.3253 -4.3214 -2.0598 -2.0531 -1.9874 -1.9774 -1.8882 -1.8872 -1.4095 -1.4072 -1.3410 -1.3317 -1.2986 -1.2966 -1.0936 -1.0867 -1.0283 -1.0260 -1.0023 -0.9916 -0.6901 -0.6842 0.0718 0.0759 0.3585 0.3647 0.3702 0.3764 0.6196 0.6207 0.7306 0.7344 0.8690 0.8747 7.6642 7.6642 9.9305 9.9367 10.2339 10.2389 10.3920 10.3933 10.5290 10.5358 10.8635 10.8659 k = 0.2221 0.2222-0.0000 ( 6519 PWs) bands (ev): -19.4156 -19.4156 -19.2635 -19.2631 -17.1390 -17.1344 -16.8378 -16.8369 -16.7664 -16.7659 -16.6952 -16.6907 -16.6670 -16.6662 -16.6593 -16.6587 -7.8772 -7.8770 -6.8751 -6.8723 -5.8495 -5.8418 -5.1192 -5.1176 -4.6800 -4.6758 -4.5564 -4.5520 -4.3871 -4.3868 -4.3260 -4.3221 -2.0612 -2.0545 -1.9918 -1.9824 -1.8875 -1.8873 -1.4101 -1.4075 -1.3486 -1.3365 -1.3308 -1.3266 -1.0898 -1.0831 -1.0381 -1.0373 -1.0114 -1.0035 -0.6867 -0.6808 0.0764 0.0804 0.3558 0.3606 0.3798 0.3874 0.6021 0.6033 0.7199 0.7239 0.8531 0.8590 7.7435 7.7435 9.9644 9.9703 10.2244 10.2300 10.3800 10.3805 10.5326 10.5395 10.8480 10.8512 k = 0.2332 0.2333-0.0000 ( 6525 PWs) bands (ev): -19.4074 -19.4074 -19.2629 -19.2625 -17.1366 -17.1318 -16.8522 -16.8514 -16.7671 -16.7666 -16.6989 -16.6942 -16.6686 -16.6678 -16.6604 -16.6599 -7.8358 -7.8356 -6.8762 -6.8733 -5.8479 -5.8400 -5.1495 -5.1478 -4.6609 -4.6567 -4.5370 -4.5325 -4.3847 -4.3845 -4.3259 -4.3220 -2.0614 -2.0546 -1.9969 -1.9882 -1.8878 -1.8871 -1.4149 -1.4122 -1.3643 -1.3590 -1.3455 -1.3422 -1.0855 -1.0790 -1.0514 -1.0473 -1.0199 -1.0149 -0.6851 -0.6792 0.0815 0.0853 0.3529 0.3575 0.3910 0.3989 0.5841 0.5854 0.7093 0.7135 0.8372 0.8433 7.8249 7.8249 9.9945 9.9998 10.2149 10.2213 10.3691 10.3695 10.5302 10.5369 10.8403 10.8439 k = 0.2443 0.2444-0.0000 ( 6521 PWs) bands (ev): -19.3990 -19.3990 -19.2623 -19.2619 -17.1341 -17.1292 -16.8668 -16.8660 -16.7678 -16.7674 -16.7027 -16.6978 -16.6702 -16.6695 -16.6615 -16.6610 -7.7930 -7.7928 -6.8773 -6.8745 -5.8466 -5.8386 -5.1811 -5.1793 -4.6414 -4.6372 -4.5173 -4.5128 -4.3820 -4.3819 -4.3250 -4.3210 -2.0603 -2.0535 -2.0028 -1.9948 -1.8886 -1.8870 -1.4303 -1.4283 -1.3793 -1.3754 -1.3554 -1.3493 -1.0806 -1.0743 -1.0659 -1.0590 -1.0279 -1.0255 -0.6854 -0.6795 0.0870 0.0907 0.3513 0.3558 0.4025 0.4104 0.5658 0.5671 0.6990 0.7032 0.8213 0.8276 7.9081 7.9082 10.0186 10.0233 10.2056 10.2127 10.3616 10.3629 10.5217 10.5276 10.8411 10.8446 k = 0.2554 0.2556-0.0000 ( 6523 PWs) bands (ev): -19.3906 -19.3906 -19.2618 -19.2613 -17.1315 -17.1265 -16.8816 -16.8808 -16.7686 -16.7681 -16.7064 -16.7014 -16.6719 -16.6712 -16.6625 -16.6622 -7.7490 -7.7488 -6.8786 -6.8758 -5.8457 -5.8375 -5.2140 -5.2120 -4.6218 -4.6176 -4.4973 -4.4928 -4.3789 -4.3789 -4.3233 -4.3193 -2.0580 -2.0512 -2.0095 -2.0021 -1.8895 -1.8871 -1.4570 -1.4556 -1.3852 -1.3806 -1.3645 -1.3576 -1.0814 -1.0752 -1.0722 -1.0689 -1.0357 -1.0349 -0.6876 -0.6818 0.0928 0.0964 0.3512 0.3557 0.4139 0.4216 0.5475 0.5488 0.6888 0.6932 0.8056 0.8120 7.9930 7.9931 10.0344 10.0384 10.1962 10.2042 10.3608 10.3628 10.5080 10.5128 10.8496 10.8527 k = 0.2665 0.2667-0.0000 ( 6525 PWs) bands (ev): -19.3821 -19.3821 -19.2612 -19.2607 -17.1289 -17.1239 -16.8963 -16.8955 -16.7693 -16.7688 -16.7102 -16.7051 -16.6735 -16.6729 -16.6636 -16.6633 -7.7039 -7.7037 -6.8800 -6.8772 -5.8451 -5.8369 -5.2481 -5.2460 -4.6021 -4.5980 -4.4773 -4.4726 -4.3755 -4.3754 -4.3207 -4.3168 -2.0544 -2.0476 -2.0169 -2.0100 -1.8907 -1.8876 -1.4881 -1.4872 -1.3873 -1.3816 -1.3738 -1.3669 -1.0976 -1.0877 -1.0681 -1.0626 -1.0434 -1.0432 -0.6918 -0.6860 0.0990 0.1023 0.3527 0.3571 0.4247 0.4322 0.5295 0.5308 0.6790 0.6835 0.7900 0.7966 8.0792 8.0793 10.0402 10.0435 10.1867 10.1955 10.3685 10.3711 10.4909 10.4943 10.8642 10.8666 k = 0.2776 0.2778-0.0000 ( 6529 PWs) bands (ev): -19.3736 -19.3736 -19.2606 -19.2602 -17.1263 -17.1212 -16.9110 -16.9103 -16.7700 -16.7695 -16.7139 -16.7087 -16.6752 -16.6746 -16.6647 -16.6644 -7.6577 -7.6575 -6.8815 -6.8787 -5.8448 -5.8366 -5.2833 -5.2811 -4.5826 -4.5785 -4.4572 -4.4525 -4.3716 -4.3713 -4.3173 -4.3134 -2.0496 -2.0429 -2.0248 -2.0185 -1.8920 -1.8882 -1.5204 -1.5197 -1.3903 -1.3819 -1.3817 -1.3771 -1.1146 -1.1041 -1.0607 -1.0555 -1.0511 -1.0505 -0.6977 -0.6920 0.1053 0.1085 0.3557 0.3601 0.4341 0.4411 0.5129 0.5139 0.6694 0.6741 0.7746 0.7814 8.1665 8.1666 10.0359 10.0387 10.1770 10.1867 10.3854 10.3883 10.4719 10.4739 10.8829 10.8846 k = 0.2887 0.2889-0.0000 ( 6523 PWs) bands (ev): -19.3651 -19.3651 -19.2601 -19.2596 -17.1237 -17.1186 -16.9255 -16.9249 -16.7707 -16.7702 -16.7176 -16.7124 -16.6768 -16.6762 -16.6657 -16.6654 -7.6105 -7.6103 -6.8831 -6.8804 -5.8450 -5.8367 -5.3196 -5.3173 -4.5633 -4.5594 -4.4373 -4.4325 -4.3671 -4.3666 -4.3131 -4.3093 -2.0440 -2.0376 -2.0330 -2.0268 -1.8934 -1.8890 -1.5527 -1.5521 -1.3987 -1.3883 -1.3853 -1.3816 -1.1323 -1.1216 -1.0593 -1.0582 -1.0513 -1.0469 -0.7052 -0.6997 0.1117 0.1147 0.3602 0.3646 0.4400 0.4458 0.5004 0.5004 0.6603 0.6651 0.7596 0.7664 8.2546 8.2547 10.0231 10.0255 10.1671 10.1776 10.4101 10.4126 10.4525 10.4535 10.9044 10.9053 k = 0.2998 0.3000-0.0000 ( 6531 PWs) bands (ev): -19.3566 -19.3566 -19.2595 -19.2591 -17.1211 -17.1160 -16.9399 -16.9393 -16.7714 -16.7709 -16.7213 -16.7161 -16.6784 -16.6779 -16.6667 -16.6665 -7.5626 -7.5624 -6.8848 -6.8821 -5.8455 -5.8372 -5.3569 -5.3545 -4.5444 -4.5407 -4.4177 -4.4128 -4.3619 -4.3611 -4.3081 -4.3044 -2.0444 -2.0395 -2.0344 -2.0273 -1.8949 -1.8900 -1.5845 -1.5839 -1.4099 -1.4000 -1.3868 -1.3821 -1.1505 -1.1399 -1.0666 -1.0657 -1.0417 -1.0376 -0.7143 -0.7089 0.1182 0.1210 0.3660 0.3704 0.4384 0.4417 0.4942 0.4964 0.6516 0.6564 0.7449 0.7518 8.3431 8.3433 10.0040 10.0062 10.1568 10.1681 10.4298 10.4335 10.4407 10.4466 10.9271 10.9275 k = 0.3109 0.3111-0.0000 ( 6531 PWs) bands (ev): -19.3483 -19.3483 -19.2590 -19.2586 -17.1185 -17.1134 -16.9540 -16.9534 -16.7720 -16.7715 -16.7249 -16.7197 -16.6800 -16.6795 -16.6677 -16.6675 -7.5140 -7.5138 -6.8865 -6.8839 -5.8465 -5.8382 -5.3951 -5.3924 -4.5262 -4.5227 -4.3988 -4.3937 -4.3558 -4.3547 -4.3025 -4.2989 -2.0534 -2.0488 -2.0263 -2.0194 -1.8964 -1.8912 -1.6154 -1.6149 -1.4220 -1.4123 -1.3884 -1.3831 -1.1692 -1.1590 -1.0740 -1.0734 -1.0309 -1.0271 -0.7245 -0.7192 0.1246 0.1272 0.3730 0.3774 0.4277 0.4289 0.4970 0.5010 0.6434 0.6483 0.7305 0.7376 8.4319 8.4320 9.9809 9.9829 10.1462 10.1580 10.4131 10.4160 10.4750 10.4786 10.9501 10.9503 k = 0.3220 0.3222-0.0000 ( 6529 PWs) bands (ev): -19.3401 -19.3401 -19.2584 -19.2580 -17.1159 -17.1109 -16.9678 -16.9672 -16.7727 -16.7722 -16.7284 -16.7233 -16.6815 -16.6811 -16.6686 -16.6685 -7.4649 -7.4647 -6.8883 -6.8857 -5.8478 -5.8396 -5.4339 -5.4311 -4.5089 -4.5056 -4.3808 -4.3756 -4.3483 -4.3468 -4.2962 -4.2927 -2.0633 -2.0591 -2.0165 -2.0096 -1.8981 -1.8926 -1.6452 -1.6448 -1.4346 -1.4250 -1.3904 -1.3848 -1.1884 -1.1786 -1.0817 -1.0813 -1.0190 -1.0156 -0.7356 -0.7306 0.1309 0.1333 0.3808 0.3853 0.4119 0.4119 0.5050 0.5097 0.6357 0.6406 0.7167 0.7238 8.5204 8.5206 9.9553 9.9573 10.1352 10.1474 10.3964 10.4001 10.5116 10.5147 10.9722 10.9730 k = 0.3331 0.3333-0.0000 ( 6536 PWs) bands (ev): -19.3321 -19.3321 -19.2579 -19.2575 -17.1134 -17.1085 -16.9812 -16.9806 -16.7733 -16.7728 -16.7318 -16.7268 -16.6830 -16.6826 -16.6695 -16.6694 -7.4153 -7.4152 -6.8901 -6.8876 -5.8496 -5.8414 -5.4733 -5.4703 -4.4926 -4.4896 -4.3644 -4.3595 -4.3386 -4.3370 -4.2895 -4.2861 -2.0735 -2.0697 -2.0054 -1.9986 -1.8997 -1.8941 -1.6739 -1.6735 -1.4474 -1.4380 -1.3930 -1.3872 -1.2079 -1.1987 -1.0897 -1.0896 -1.0063 -1.0033 -0.7473 -0.7425 0.1370 0.1391 0.3873 0.3915 0.3959 0.3962 0.5151 0.5200 0.6285 0.6334 0.7033 0.7105 8.6084 8.6086 9.9286 9.9305 10.1240 10.1364 10.3816 10.3860 10.5494 10.5520 10.9931 10.9943 k = 0.3442 0.3444-0.0000 ( 6528 PWs) bands (ev): -19.3243 -19.3243 -19.2575 -19.2571 -17.1109 -17.1061 -16.9941 -16.9935 -16.7738 -16.7734 -16.7351 -16.7302 -16.6844 -16.6841 -16.6704 -16.6703 -7.3657 -7.3655 -6.8919 -6.8895 -5.8519 -5.8438 -5.5130 -5.5099 -4.4777 -4.4749 -4.3502 -4.3462 -4.3257 -4.3247 -4.2823 -4.2791 -2.0838 -2.0803 -1.9931 -1.9865 -1.9015 -1.8959 -1.7012 -1.7008 -1.4602 -1.4511 -1.3960 -1.3900 -1.2278 -1.2193 -1.0982 -1.0980 -0.9929 -0.9902 -0.7593 -0.7548 0.1428 0.1447 0.3737 0.3738 0.4005 0.4039 0.5258 0.5307 0.6219 0.6267 0.6905 0.6976 8.6954 8.6956 9.9015 9.9034 10.1128 10.1252 10.3688 10.3737 10.5876 10.5897 11.0121 11.0137 k = 0.3553 0.3556-0.0000 ( 6534 PWs) bands (ev): -19.3168 -19.3168 -19.2570 -19.2566 -17.1085 -17.1039 -17.0065 -17.0059 -16.7744 -16.7740 -16.7382 -16.7335 -16.6858 -16.6855 -16.6712 -16.6712 -7.3160 -7.3158 -6.8936 -6.8914 -5.8548 -5.8467 -5.5528 -5.5494 -4.4642 -4.4618 -4.3378 -4.3350 -4.3106 -4.3105 -4.2748 -4.2718 -2.0942 -2.0910 -1.9797 -1.9733 -1.9034 -1.8978 -1.7269 -1.7266 -1.4730 -1.4641 -1.3993 -1.3934 -1.2480 -1.2402 -1.1071 -1.1066 -0.9789 -0.9765 -0.7713 -0.7671 0.1482 0.1499 0.3548 0.3551 0.4101 0.4137 0.5368 0.5414 0.6158 0.6205 0.6781 0.6853 8.7810 8.7812 9.8748 9.8766 10.1020 10.1141 10.3578 10.3630 10.6254 10.6271 11.0285 11.0304 k = 0.3664 0.3667-0.0000 ( 6532 PWs) bands (ev): -19.3097 -19.3097 -19.2565 -19.2562 -17.1062 -17.1017 -17.0182 -17.0177 -16.7749 -16.7745 -16.7411 -16.7367 -16.6871 -16.6868 -16.6720 -16.6719 -7.2666 -7.2664 -6.8954 -6.8933 -5.8584 -5.8503 -5.5922 -5.5886 -4.4522 -4.4501 -4.3262 -4.3245 -4.2954 -4.2949 -4.2671 -4.2642 -2.1043 -2.1014 -1.9655 -1.9591 -1.9053 -1.8999 -1.7510 -1.7507 -1.4855 -1.4770 -1.4029 -1.3971 -1.2684 -1.2614 -1.1163 -1.1155 -0.9646 -0.9625 -0.7831 -0.7791 0.1533 0.1547 0.3361 0.3366 0.4202 0.4238 0.5475 0.5520 0.6103 0.6149 0.6664 0.6736 8.8646 8.8649 9.8488 9.8506 10.0919 10.1036 10.3482 10.3535 10.6625 10.6637 11.0418 11.0439 k = 0.3775 0.3778-0.0000 ( 6520 PWs) bands (ev): -19.3029 -19.3029 -19.2561 -19.2558 -17.1040 -17.0997 -17.0293 -17.0288 -16.7754 -16.7750 -16.7439 -16.7397 -16.6883 -16.6881 -16.6727 -16.6727 -7.2177 -7.2175 -6.8971 -6.8951 -5.8629 -5.8549 -5.6308 -5.6269 -4.4418 -4.4400 -4.3150 -4.3140 -4.2803 -4.2795 -4.2594 -4.2567 -2.1143 -2.1116 -1.9503 -1.9442 -1.9074 -1.9022 -1.7733 -1.7731 -1.4976 -1.4894 -1.4067 -1.4010 -1.2889 -1.2827 -1.1256 -1.1247 -0.9502 -0.9483 -0.7943 -0.7906 0.1579 0.1590 0.3179 0.3187 0.4304 0.4339 0.5580 0.5622 0.6053 0.6098 0.6554 0.6624 8.9458 8.9461 9.8240 9.8257 10.0830 10.0941 10.3395 10.3448 10.6981 10.6990 11.0517 11.0539 k = 0.3886 0.3889-0.0000 ( 6514 PWs) bands (ev): -19.2966 -19.2966 -19.2557 -19.2555 -17.1019 -17.0978 -17.0397 -17.0392 -16.7758 -16.7754 -16.7465 -16.7425 -16.6895 -16.6893 -16.6734 -16.6734 -7.1696 -7.1695 -6.8987 -6.8969 -5.8687 -5.8607 -5.6678 -5.6636 -4.4329 -4.4314 -4.3039 -4.3034 -4.2657 -4.2649 -4.2517 -4.2491 -2.1238 -2.1214 -1.9345 -1.9286 -1.9097 -1.9048 -1.7936 -1.7935 -1.5091 -1.5014 -1.4105 -1.4051 -1.3095 -1.3041 -1.1351 -1.1340 -0.9359 -0.9343 -0.8048 -0.8014 0.1619 0.1627 0.3007 0.3016 0.4404 0.4440 0.5679 0.5718 0.6009 0.6052 0.6450 0.6519 9.0238 9.0242 9.8006 9.8022 10.0757 10.0862 10.3312 10.3365 10.7320 10.7325 11.0578 11.0600 k = 0.3997 0.4000-0.0000 ( 6522 PWs) bands (ev): -19.2907 -19.2907 -19.2554 -19.2551 -17.1000 -17.0961 -17.0493 -17.0487 -16.7762 -16.7759 -16.7489 -16.7452 -16.6905 -16.6904 -16.6740 -16.6740 -7.1228 -7.1227 -6.9002 -6.8985 -5.8763 -5.8685 -5.7023 -5.6980 -4.4253 -4.4241 -4.2930 -4.2928 -4.2521 -4.2513 -4.2442 -4.2416 -2.1328 -2.1307 -1.9183 -1.9126 -1.9122 -1.9076 -1.8118 -1.8118 -1.5199 -1.5127 -1.4143 -1.4092 -1.3299 -1.3254 -1.1445 -1.1432 -0.9220 -0.9205 -0.8145 -0.8114 0.1652 0.1658 0.2846 0.2856 0.4503 0.4537 0.5771 0.5808 0.5972 0.6011 0.6353 0.6420 9.0980 9.0984 9.7789 9.7804 10.0705 10.0803 10.3228 10.3280 10.7637 10.7638 11.0601 11.0623 k = 0.4108 0.4111-0.0000 ( 6542 PWs) bands (ev): -19.2853 -19.2853 -19.2551 -19.2548 -17.0982 -17.0945 -17.0580 -17.0574 -16.7766 -16.7763 -16.7510 -16.7476 -16.6915 -16.6914 -16.6746 -16.6746 -7.0777 -7.0775 -6.9016 -6.9001 -5.8864 -5.8790 -5.7330 -5.7287 -4.4190 -4.4180 -4.2825 -4.2824 -4.2399 -4.2394 -4.2366 -4.2340 -2.1412 -2.1393 -1.9150 -1.9110 -1.9016 -1.8962 -1.8279 -1.8277 -1.5298 -1.5231 -1.4179 -1.4133 -1.3502 -1.3465 -1.1537 -1.1523 -0.9087 -0.9074 -0.8231 -0.8204 0.1678 0.1681 0.2699 0.2710 0.4597 0.4631 0.5852 0.5889 0.5943 0.5976 0.6264 0.6329 9.1675 9.1679 9.7591 9.7604 10.0679 10.0770 10.3138 10.3188 10.7925 10.7927 11.0590 11.0610 k = 0.4219 0.4222-0.0000 ( 6540 PWs) bands (ev): -19.2805 -19.2805 -19.2548 -19.2546 -17.0965 -17.0931 -17.0659 -17.0652 -16.7769 -16.7766 -16.7529 -16.7499 -16.6924 -16.6922 -16.6751 -16.6751 -7.0347 -7.0346 -6.9029 -6.9015 -5.8996 -5.8929 -5.7585 -5.7545 -4.4137 -4.4129 -4.2727 -4.2725 -4.2313 -4.2305 -4.2270 -4.2250 -2.1489 -2.1472 -1.9180 -1.9146 -1.8851 -1.8801 -1.8416 -1.8412 -1.5387 -1.5326 -1.4213 -1.4172 -1.3698 -1.3669 -1.1624 -1.1610 -0.8962 -0.8951 -0.8307 -0.8284 0.1695 0.1696 0.2569 0.2581 0.4687 0.4720 0.5887 0.5930 0.5957 0.5976 0.6184 0.6245 9.2315 9.2319 9.7412 9.7424 10.0684 10.0768 10.3038 10.3086 10.8183 10.8187 11.0548 11.0566 k = 0.4330 0.4333-0.0000 ( 6540 PWs) bands (ev): -19.2762 -19.2762 -19.2545 -19.2543 -17.0951 -17.0919 -17.0728 -17.0721 -16.7772 -16.7769 -16.7545 -16.7519 -16.6931 -16.6930 -16.6755 -16.6755 -6.9947 -6.9946 -6.9040 -6.9028 -5.9161 -5.9104 -5.7781 -5.7748 -4.4093 -4.4087 -4.2637 -4.2634 -4.2250 -4.2240 -4.2171 -4.2156 -2.1558 -2.1544 -1.9214 -1.9186 -1.8690 -1.8646 -1.8529 -1.8522 -1.5464 -1.5410 -1.4244 -1.4209 -1.3886 -1.3865 -1.1704 -1.1691 -0.8848 -0.8838 -0.8373 -0.8353 0.1701 0.1703 0.2460 0.2471 0.4770 0.4801 0.5869 0.5902 0.6017 0.6034 0.6117 0.6170 9.2890 9.2895 9.7256 9.7266 10.0724 10.0800 10.2921 10.2967 10.8409 10.8415 11.0484 11.0500 k = 0.4441 0.4444-0.0000 ( 6548 PWs) bands (ev): -19.2725 -19.2725 -19.2543 -19.2541 -17.0938 -17.0909 -17.0787 -17.0779 -16.7774 -16.7772 -16.7559 -16.7537 -16.6938 -16.6937 -16.6759 -16.6759 -6.9583 -6.9582 -6.9049 -6.9040 -5.9350 -5.9305 -5.7920 -5.7895 -4.4058 -4.4053 -4.2556 -4.2553 -4.2196 -4.2186 -4.2083 -4.2072 -2.1618 -2.1606 -1.9249 -1.9227 -1.8623 -1.8618 -1.8532 -1.8489 -1.5529 -1.5483 -1.4274 -1.4247 -1.4058 -1.4045 -1.1776 -1.1764 -0.8746 -0.8738 -0.8428 -0.8411 0.1697 0.1700 0.2372 0.2383 0.4846 0.4875 0.5846 0.5871 0.6048 0.6071 0.6103 0.6110 9.3392 9.3396 9.7121 9.7130 10.0802 10.0871 10.2786 10.2830 10.8601 10.8607 11.0406 11.0419 k = 0.4552 0.4556-0.0000 ( 6548 PWs) bands (ev): -19.2695 -19.2695 -19.2541 -19.2540 -17.0929 -17.0901 -17.0837 -17.0826 -16.7776 -16.7774 -16.7570 -16.7552 -16.6943 -16.6942 -16.6762 -16.6762 -6.9264 -6.9264 -6.9057 -6.9049 -5.9543 -5.9510 -5.8015 -5.7998 -4.4030 -4.4027 -4.2488 -4.2485 -4.2150 -4.2142 -4.2010 -4.2001 -2.1668 -2.1658 -1.9284 -1.9268 -1.8689 -1.8683 -1.8393 -1.8357 -1.5581 -1.5542 -1.4310 -1.4300 -1.4197 -1.4194 -1.1837 -1.1826 -0.8660 -0.8653 -0.8472 -0.8459 0.1685 0.1689 0.2306 0.2317 0.4913 0.4940 0.5822 0.5838 0.6009 0.6045 0.6132 0.6146 9.3812 9.3816 9.7010 9.7017 10.0918 10.0980 10.2630 10.2673 10.8757 10.8764 11.0325 11.0335 k = 0.4663 0.4667-0.0000 ( 6548 PWs) bands (ev): -19.2671 -19.2671 -19.2539 -19.2539 -17.0923 -17.0895 -17.0875 -17.0860 -16.7777 -16.7776 -16.7578 -16.7564 -16.6947 -16.6947 -16.6764 -16.6764 -6.9065 -6.9059 -6.8999 -6.8999 -5.9720 -5.9697 -5.8077 -5.8066 -4.4009 -4.4006 -4.2432 -4.2430 -4.2113 -4.2107 -4.1952 -4.1945 -2.1707 -2.1700 -1.9316 -1.9304 -1.8737 -1.8731 -1.8272 -1.8244 -1.5619 -1.5588 -1.4397 -1.4391 -1.4275 -1.4258 -1.1886 -1.1878 -0.8590 -0.8585 -0.8505 -0.8496 0.1669 0.1672 0.2262 0.2270 0.4971 0.4993 0.5800 0.5807 0.5979 0.6005 0.6171 0.6182 9.4144 9.4148 9.6923 9.6929 10.1067 10.1123 10.2455 10.2497 10.8878 10.8884 11.0250 11.0257 k = 0.4774 0.4778-0.0000 ( 6556 PWs) bands (ev): -19.2653 -19.2653 -19.2538 -19.2538 -17.0924 -17.0904 -17.0891 -17.0880 -16.7778 -16.7777 -16.7583 -16.7574 -16.6950 -16.6950 -16.6766 -16.6766 -6.9068 -6.9064 -6.8801 -6.8801 -5.9862 -5.9847 -5.8116 -5.8109 -4.3994 -4.3992 -4.2392 -4.2390 -4.2086 -4.2082 -4.1909 -4.1905 -2.1736 -2.1731 -1.9341 -1.9334 -1.8769 -1.8764 -1.8177 -1.8157 -1.5643 -1.5621 -1.4495 -1.4489 -1.4298 -1.4285 -1.1922 -1.1916 -0.8542 -0.8536 -0.8526 -0.8522 0.1653 0.1655 0.2234 0.2240 0.5016 0.5032 0.5779 0.5780 0.5960 0.5976 0.6200 0.6208 9.4384 9.4387 9.6861 9.6864 10.1241 10.1289 10.2270 10.2309 10.8964 10.8968 11.0189 11.0194 k = 0.4885 0.4889-0.0000 ( 6560 PWs) bands (ev): -19.2643 -19.2643 -19.2538 -19.2537 -17.0929 -17.0922 -17.0888 -17.0886 -16.7779 -16.7778 -16.7585 -16.7581 -16.6952 -16.6952 -16.6767 -16.6767 -6.9070 -6.9068 -6.8677 -6.8677 -5.9952 -5.9945 -5.8137 -5.8134 -4.3985 -4.3984 -4.2367 -4.2366 -4.2069 -4.2067 -4.1883 -4.1881 -2.1752 -2.1750 -1.9357 -1.9353 -1.8786 -1.8783 -1.8114 -1.8104 -1.5654 -1.5643 -1.4561 -1.4558 -1.4306 -1.4299 -1.1943 -1.1940 -0.8544 -0.8540 -0.8506 -0.8505 0.1641 0.1642 0.2219 0.2223 0.5047 0.5056 0.5763 0.5763 0.5951 0.5958 0.6219 0.6223 9.4531 9.4532 9.6823 9.6825 10.1417 10.1453 10.2096 10.2127 10.9016 10.9018 11.0150 11.0152 k = 0.4996 0.5000-0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1758 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1526 10.1528 10.2016 10.2018 10.9034 10.9034 11.0137 11.0137 k = 0.4996 0.5000-0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1758 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1526 10.1528 10.2016 10.2018 10.9034 10.9034 11.0137 11.0137 k = 0.4840 0.5000-0.0000 ( 6560 PWs) bands (ev): -19.2641 -19.2641 -19.2539 -19.2539 -17.0931 -17.0925 -17.0885 -17.0884 -16.7779 -16.7778 -16.7586 -16.7580 -16.6952 -16.6952 -16.6767 -16.6767 -6.9092 -6.9088 -6.8652 -6.8651 -5.9967 -5.9961 -5.8125 -5.8123 -4.3986 -4.3985 -4.2366 -4.2365 -4.2072 -4.2068 -4.1879 -4.1877 -2.1754 -2.1752 -1.9359 -1.9352 -1.8805 -1.8795 -1.8093 -1.8084 -1.5646 -1.5636 -1.4613 -1.4561 -1.4315 -1.4254 -1.1943 -1.1940 -0.8587 -0.8579 -0.8472 -0.8463 0.1640 0.1641 0.2223 0.2225 0.5054 0.5060 0.5756 0.5757 0.5945 0.5952 0.6224 0.6230 9.4557 9.4558 9.6781 9.6783 10.1465 10.1493 10.2061 10.2087 10.9029 10.9031 11.0140 11.0149 k = 0.4684 0.5000-0.0000 ( 6554 PWs) bands (ev): -19.2648 -19.2648 -19.2544 -19.2543 -17.0927 -17.0917 -17.0878 -17.0876 -16.7780 -16.7777 -16.7584 -16.7573 -16.6951 -16.6950 -16.6766 -16.6766 -6.9153 -6.9146 -6.8705 -6.8702 -5.9918 -5.9905 -5.8071 -5.8067 -4.4001 -4.3998 -4.2390 -4.2388 -4.2095 -4.2088 -4.1895 -4.1891 -2.1742 -2.1738 -1.9346 -1.9332 -1.8835 -1.8818 -1.8095 -1.8080 -1.5612 -1.5593 -1.4639 -1.4560 -1.4266 -1.4169 -1.1923 -1.1916 -0.8648 -0.8640 -0.8436 -0.8427 0.1649 0.1651 0.2244 0.2249 0.5040 0.5053 0.5755 0.5757 0.5937 0.5950 0.6221 0.6233 9.4487 9.4490 9.6694 9.6698 10.1359 10.1400 10.2180 10.2216 10.9017 10.9020 11.0157 11.0176 k = 0.4528 0.5000-0.0000 ( 6548 PWs) bands (ev): -19.2658 -19.2658 -19.2552 -19.2551 -17.0919 -17.0905 -17.0865 -17.0863 -16.7780 -16.7777 -16.7579 -16.7562 -16.6949 -16.6947 -16.6764 -16.6764 -6.9251 -6.9242 -6.8790 -6.8786 -5.9835 -5.9817 -5.7981 -5.7975 -4.4023 -4.4020 -4.2428 -4.2425 -4.2132 -4.2122 -4.1919 -4.1914 -2.1721 -2.1715 -1.9323 -1.9301 -1.8878 -1.8856 -1.8098 -1.8077 -1.5555 -1.5525 -1.4656 -1.4571 -1.4171 -1.4058 -1.1888 -1.1878 -0.8720 -0.8712 -0.8407 -0.8397 0.1664 0.1667 0.2281 0.2287 0.5021 0.5039 0.5751 0.5756 0.5927 0.5947 0.6219 0.6236 9.4376 9.4380 9.6550 9.6557 10.1246 10.1293 10.2329 10.2368 10.9000 10.9004 11.0187 11.0214 k = 0.4372 0.5000-0.0000 ( 6542 PWs) bands (ev): -19.2672 -19.2672 -19.2563 -19.2562 -17.0908 -17.0890 -17.0848 -17.0845 -16.7780 -16.7777 -16.7571 -16.7550 -16.6945 -16.6944 -16.6761 -16.6761 -6.9383 -6.9372 -6.8907 -6.8901 -5.9722 -5.9699 -5.7858 -5.7850 -4.4055 -4.4050 -4.2481 -4.2477 -4.2184 -4.2171 -4.1952 -4.1946 -2.1693 -2.1685 -1.9289 -1.9262 -1.8930 -1.8905 -1.8102 -1.8078 -1.5477 -1.5436 -1.4662 -1.4581 -1.4042 -1.3925 -1.1839 -1.1827 -0.8799 -0.8791 -0.8385 -0.8374 0.1685 0.1688 0.2331 0.2339 0.4998 0.5021 0.5743 0.5753 0.5914 0.5942 0.6217 0.6238 9.4227 9.4232 9.6353 9.6361 10.1138 10.1188 10.2488 10.2528 10.8979 10.8984 11.0227 11.0260 k = 0.4216 0.5000-0.0000 ( 6538 PWs) bands (ev): -19.2690 -19.2689 -19.2577 -19.2576 -17.0893 -17.0871 -17.0825 -17.0822 -16.7780 -16.7776 -16.7559 -16.7534 -16.6941 -16.6939 -16.6758 -16.6757 -6.9545 -6.9532 -6.9051 -6.9045 -5.9581 -5.9552 -5.7705 -5.7696 -4.4095 -4.4089 -4.2548 -4.2543 -4.2249 -4.2233 -4.1993 -4.1985 -2.1657 -2.1648 -1.9246 -1.9213 -1.8984 -1.8961 -1.8109 -1.8082 -1.5384 -1.5329 -1.4656 -1.4581 -1.3889 -1.3771 -1.1779 -1.1764 -0.8885 -0.8878 -0.8371 -0.8359 0.1710 0.1714 0.2394 0.2403 0.4972 0.4999 0.5729 0.5747 0.5901 0.5939 0.6215 0.6240 9.4042 9.4049 9.6106 9.6114 10.1040 10.1092 10.2650 10.2689 10.8957 10.8962 11.0272 11.0310 k = 0.4060 0.5000-0.0000 ( 6532 PWs) bands (ev): -19.2711 -19.2710 -19.2594 -19.2592 -17.0874 -17.0850 -17.0799 -17.0795 -16.7779 -16.7775 -16.7546 -16.7517 -16.6935 -16.6932 -16.6753 -16.6753 -6.9732 -6.9718 -6.9222 -6.9216 -5.9414 -5.9382 -5.7526 -5.7516 -4.4143 -4.4136 -4.2628 -4.2622 -4.2328 -4.2309 -4.2041 -4.2031 -2.1615 -2.1604 -1.9198 -1.9159 -1.9033 -1.9019 -1.8119 -1.8090 -1.5284 -1.5215 -1.4632 -1.4564 -1.3717 -1.3598 -1.1707 -1.1690 -0.8976 -0.8970 -0.8364 -0.8351 0.1741 0.1745 0.2468 0.2478 0.4945 0.4975 0.5709 0.5736 0.5888 0.5936 0.6214 0.6241 9.3828 9.3835 9.5813 9.5822 10.0951 10.1005 10.2810 10.2849 10.8936 10.8941 11.0315 11.0356 k = 0.3903 0.5000-0.0000 ( 6536 PWs) bands (ev): -19.2735 -19.2735 -19.2613 -19.2612 -17.0852 -17.0826 -17.0768 -17.0764 -16.7778 -16.7774 -16.7529 -16.7497 -16.6928 -16.6925 -16.6748 -16.6748 -6.9941 -6.9926 -6.9416 -6.9409 -5.9226 -5.9190 -5.7323 -5.7312 -4.4198 -4.4191 -4.2720 -4.2713 -4.2419 -4.2397 -4.2096 -4.2084 -2.1569 -2.1556 -1.9166 -1.9118 -1.9065 -1.9045 -1.8133 -1.8102 -1.5187 -1.5106 -1.4581 -1.4520 -1.3528 -1.3410 -1.1625 -1.1606 -0.9073 -0.9068 -0.8362 -0.8348 0.1774 0.1778 0.2551 0.2563 0.4918 0.4951 0.5684 0.5719 0.5878 0.5934 0.6213 0.6242 9.3588 9.3596 9.5481 9.5490 10.0870 10.0926 10.2967 10.3006 10.8918 10.8923 11.0347 11.0389 k = 0.3747 0.5000-0.0000 ( 6532 PWs) bands (ev): -19.2762 -19.2762 -19.2635 -19.2634 -17.0828 -17.0799 -17.0734 -17.0729 -16.7776 -16.7773 -16.7510 -16.7476 -16.6920 -16.6917 -16.6742 -16.6741 -7.0167 -7.0152 -6.9630 -6.9623 -5.9019 -5.8979 -5.7101 -5.7088 -4.4261 -4.4253 -4.2823 -4.2815 -4.2522 -4.2497 -4.2156 -4.2143 -2.1519 -2.1505 -1.9185 -1.9143 -1.9032 -1.8991 -1.8148 -1.8116 -1.5106 -1.5018 -1.4494 -1.4440 -1.3327 -1.3210 -1.1534 -1.1514 -0.9172 -0.9168 -0.8366 -0.8349 0.1808 0.1813 0.2644 0.2656 0.4894 0.4930 0.5655 0.5696 0.5869 0.5931 0.6212 0.6243 9.3326 9.3335 9.5116 9.5124 10.0796 10.0852 10.3121 10.3160 10.8904 10.8908 11.0362 11.0402 k = 0.3591 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.2792 -19.2791 -19.2660 -19.2658 -17.0801 -17.0771 -17.0698 -17.0691 -16.7774 -16.7771 -16.7490 -16.7453 -16.6910 -16.6907 -16.6735 -16.6734 -7.0407 -7.0392 -6.9860 -6.9853 -5.8796 -5.8754 -5.6861 -5.6848 -4.4331 -4.4321 -4.2937 -4.2928 -4.2634 -4.2606 -4.2222 -4.2208 -2.1467 -2.1453 -1.9220 -1.9186 -1.8958 -1.8913 -1.8165 -1.8132 -1.5045 -1.4961 -1.4366 -1.4321 -1.3117 -1.3000 -1.1436 -1.1415 -0.9273 -0.9270 -0.8373 -0.8354 0.1842 0.1848 0.2742 0.2755 0.4876 0.4913 0.5622 0.5668 0.5862 0.5928 0.6212 0.6244 9.3047 9.3057 9.4723 9.4731 10.0725 10.0783 10.3272 10.3310 10.8894 10.8897 11.0354 11.0391 k = 0.3435 0.5000-0.0000 ( 6514 PWs) bands (ev): -19.2824 -19.2823 -19.2686 -19.2684 -17.0772 -17.0741 -17.0659 -17.0651 -16.7771 -16.7768 -16.7467 -16.7429 -16.6899 -16.6896 -16.6727 -16.6726 -7.0658 -7.0642 -7.0103 -7.0097 -5.8561 -5.8516 -5.6609 -5.6595 -4.4406 -4.4396 -4.3060 -4.3050 -4.2754 -4.2725 -4.2294 -4.2278 -2.1417 -2.1401 -1.9249 -1.9221 -1.8873 -1.8826 -1.8183 -1.8147 -1.5003 -1.4926 -1.4208 -1.4173 -1.2902 -1.2785 -1.1334 -1.1311 -0.9372 -0.9370 -0.8383 -0.8362 0.1873 0.1880 0.2845 0.2858 0.4863 0.4904 0.5588 0.5637 0.5855 0.5924 0.6212 0.6246 9.2754 9.2764 9.4310 9.4318 10.0658 10.0716 10.3419 10.3456 10.8888 10.8892 11.0323 11.0355 k = 0.3279 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.2857 -19.2857 -19.2714 -19.2712 -17.0741 -17.0709 -17.0617 -17.0608 -16.7768 -16.7765 -16.7443 -16.7404 -16.6887 -16.6884 -16.6719 -16.6717 -7.0915 -7.0900 -7.0356 -7.0350 -5.8316 -5.8268 -5.6346 -5.6331 -4.4487 -4.4477 -4.3191 -4.3181 -4.2882 -4.2851 -4.2370 -4.2353 -2.1369 -2.1353 -1.9267 -1.9243 -1.8780 -1.8734 -1.8198 -1.8162 -1.4974 -1.4906 -1.4033 -1.4006 -1.2686 -1.2569 -1.1228 -1.1204 -0.9467 -0.9464 -0.8394 -0.8369 0.1899 0.1907 0.2951 0.2964 0.4860 0.4903 0.5552 0.5603 0.5847 0.5917 0.6215 0.6249 9.2451 9.2461 9.3882 9.3889 10.0592 10.0650 10.3563 10.3600 10.8886 10.8890 11.0268 11.0296 k = 0.3123 0.5000-0.0000 ( 6528 PWs) bands (ev): -19.2893 -19.2892 -19.2744 -19.2742 -17.0709 -17.0677 -17.0575 -17.0564 -16.7765 -16.7761 -16.7418 -16.7378 -16.6873 -16.6870 -16.6709 -16.6708 -7.1177 -7.1162 -7.0616 -7.0609 -5.8063 -5.8014 -5.6074 -5.6060 -4.4573 -4.4562 -4.3330 -4.3319 -4.3015 -4.2983 -4.2450 -4.2432 -2.1326 -2.1310 -1.9271 -1.9250 -1.8682 -1.8637 -1.8211 -1.8172 -1.4951 -1.4892 -1.3854 -1.3829 -1.2473 -1.2357 -1.1121 -1.1096 -0.9552 -0.9549 -0.8405 -0.8376 0.1918 0.1928 0.3057 0.3070 0.4867 0.4912 0.5517 0.5569 0.5840 0.5909 0.6218 0.6255 9.2140 9.2151 9.3445 9.3451 10.0527 10.0586 10.3706 10.3742 10.8886 10.8892 11.0193 11.0218 k = 0.2967 0.5000-0.0000 ( 6538 PWs) bands (ev): -19.2929 -19.2928 -19.2775 -19.2773 -17.0677 -17.0644 -17.0531 -17.0519 -16.7761 -16.7757 -16.7392 -16.7352 -16.6857 -16.6854 -16.6699 -16.6697 -7.1441 -7.1426 -7.0879 -7.0873 -5.7806 -5.7755 -5.5797 -5.5782 -4.4663 -4.4652 -4.3475 -4.3463 -4.3152 -4.3119 -4.2534 -4.2515 -2.1290 -2.1274 -1.9260 -1.9241 -1.8581 -1.8540 -1.8216 -1.8176 -1.4933 -1.4881 -1.3680 -1.3654 -1.2270 -1.2157 -1.1015 -1.0986 -0.9622 -0.9616 -0.8413 -0.8380 0.1928 0.1940 0.3162 0.3175 0.4885 0.4934 0.5483 0.5536 0.5831 0.5900 0.6224 0.6262 9.1824 9.1835 9.3003 9.3009 10.0463 10.0522 10.3847 10.3882 10.8887 10.8895 11.0103 11.0126 k = 0.2810 0.5000-0.0000 ( 6536 PWs) bands (ev): -19.2966 -19.2965 -19.2807 -19.2805 -17.0644 -17.0611 -17.0486 -17.0474 -16.7757 -16.7752 -16.7365 -16.7326 -16.6840 -16.6837 -16.6688 -16.6685 -7.1704 -7.1690 -7.1143 -7.1137 -5.7545 -5.7493 -5.5516 -5.5501 -4.4756 -4.4744 -4.3626 -4.3613 -4.3291 -4.3259 -4.2620 -4.2601 -2.1263 -2.1246 -1.9235 -1.9215 -1.8480 -1.8449 -1.8209 -1.8167 -1.4916 -1.4870 -1.3515 -1.3488 -1.2085 -1.1978 -1.0911 -1.0875 -0.9669 -0.9661 -0.8417 -0.8379 0.1927 0.1941 0.3263 0.3275 0.4915 0.4968 0.5451 0.5504 0.5823 0.5890 0.6233 0.6273 9.1506 9.1517 9.2562 9.2567 10.0401 10.0460 10.3986 10.4020 10.8889 10.8899 11.0003 11.0027 k = 0.2654 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.3004 -19.3003 -19.2839 -19.2837 -17.0611 -17.0578 -17.0441 -17.0429 -16.7753 -16.7747 -16.7339 -16.7301 -16.6822 -16.6819 -16.6675 -16.6673 -7.1964 -7.1951 -7.1406 -7.1400 -5.7284 -5.7231 -5.5233 -5.5218 -4.4851 -4.4840 -4.3781 -4.3767 -4.3432 -4.3400 -4.2708 -4.2688 -2.1244 -2.1228 -1.9197 -1.9175 -1.8389 -1.8376 -1.8177 -1.8131 -1.4900 -1.4860 -1.3366 -1.3337 -1.1929 -1.1834 -1.0803 -1.0756 -0.9686 -0.9677 -0.8416 -0.8371 0.1915 0.1931 0.3358 0.3370 0.4956 0.5013 0.5423 0.5475 0.5817 0.5882 0.6245 0.6287 9.1186 9.1197 9.2127 9.2131 10.0342 10.0400 10.4125 10.4158 10.8889 10.8901 10.9898 10.9924 k = 0.2498 0.5000-0.0000 ( 6528 PWs) bands (ev): -19.3041 -19.3040 -19.2872 -19.2870 -17.0579 -17.0546 -17.0397 -17.0384 -16.7748 -16.7742 -16.7313 -16.7276 -16.6801 -16.6799 -16.6662 -16.6659 -7.2220 -7.2207 -7.1666 -7.1660 -5.7023 -5.6970 -5.4950 -5.4936 -4.4949 -4.4937 -4.3940 -4.3925 -4.3573 -4.3542 -4.2798 -4.2777 -2.1234 -2.1218 -1.9149 -1.9123 -1.8330 -1.8314 -1.8112 -1.8060 -1.4885 -1.4849 -1.3235 -1.3207 -1.1819 -1.1739 -1.0684 -1.0623 -0.9671 -0.9659 -0.8408 -0.8356 0.1892 0.1909 0.3445 0.3457 0.5006 0.5068 0.5399 0.5450 0.5813 0.5875 0.6261 0.6304 9.0867 9.0878 9.1702 9.1706 10.0285 10.0343 10.4263 10.4295 10.8886 10.8902 10.9792 10.9823 k = 0.2342 0.5000-0.0000 ( 6518 PWs) bands (ev): -19.3079 -19.3078 -19.2904 -19.2902 -17.0547 -17.0515 -17.0353 -17.0340 -16.7743 -16.7737 -16.7287 -16.7252 -16.6780 -16.6777 -16.6648 -16.6645 -7.2469 -7.2457 -7.1919 -7.1914 -5.6765 -5.6712 -5.4670 -5.4655 -4.5048 -4.5035 -4.4101 -4.4086 -4.3714 -4.3683 -4.2887 -4.2867 -2.1232 -2.1216 -1.9096 -1.9066 -1.8290 -1.8261 -1.8014 -1.7959 -1.4869 -1.4837 -1.3126 -1.3099 -1.1765 -1.1700 -1.0541 -1.0466 -0.9626 -0.9610 -0.8391 -0.8332 0.1857 0.1875 0.3523 0.3535 0.5062 0.5128 0.5381 0.5430 0.5814 0.5874 0.6282 0.6326 9.0550 9.0560 9.1292 9.1296 10.0231 10.0288 10.4401 10.4432 10.8880 10.8900 10.9691 10.9727 k = 0.2186 0.5000-0.0000 ( 6520 PWs) bands (ev): -19.3115 -19.3114 -19.2937 -19.2935 -17.0517 -17.0486 -17.0311 -17.0297 -16.7738 -16.7731 -16.7263 -16.7230 -16.6757 -16.6753 -16.6634 -16.6631 -7.2709 -7.2698 -7.2165 -7.2160 -5.6511 -5.6458 -5.4392 -5.4378 -4.5147 -4.5134 -4.4264 -4.4248 -4.3851 -4.3822 -4.2976 -4.2956 -2.1236 -2.1221 -1.9043 -1.9010 -1.8244 -1.8208 -1.7899 -1.7844 -1.4854 -1.4825 -1.3041 -1.3016 -1.1766 -1.1716 -1.0372 -1.0288 -0.9557 -0.9535 -0.8365 -0.8299 0.1812 0.1831 0.3590 0.3602 0.5117 0.5189 0.5369 0.5416 0.5824 0.5880 0.6307 0.6352 9.0234 9.0244 9.0903 9.0906 10.0182 10.0238 10.4539 10.4568 10.8870 10.8894 10.9597 10.9639 k = 0.2030 0.5000-0.0000 ( 6520 PWs) bands (ev): -19.3151 -19.3150 -19.2968 -19.2966 -17.0487 -17.0457 -17.0270 -17.0256 -16.7733 -16.7726 -16.7240 -16.7210 -16.6733 -16.6729 -16.6619 -16.6615 -7.2940 -7.2930 -7.2402 -7.2397 -5.6263 -5.6211 -5.4120 -5.4106 -4.5245 -4.5232 -4.4427 -4.4410 -4.3986 -4.3958 -4.3064 -4.3044 -2.1245 -2.1231 -1.8995 -1.8961 -1.8183 -1.8143 -1.7775 -1.7721 -1.4840 -1.4813 -1.2979 -1.2957 -1.1815 -1.1775 -1.0181 -1.0095 -0.9472 -0.9441 -0.8330 -0.8256 0.1758 0.1777 0.3646 0.3658 0.5167 0.5241 0.5366 0.5409 0.5845 0.5897 0.6337 0.6382 8.9920 8.9929 9.0538 9.0540 10.0137 10.0191 10.4675 10.4703 10.8857 10.8887 10.9512 10.9561 k = 0.1874 0.5000-0.0000 ( 6524 PWs) bands (ev): -19.3185 -19.3184 -19.2999 -19.2997 -17.0459 -17.0431 -17.0231 -17.0217 -16.7728 -16.7721 -16.7219 -16.7191 -16.6708 -16.6703 -16.6604 -16.6600 -7.3159 -7.3150 -7.2627 -7.2622 -5.6024 -5.5972 -5.3855 -5.3841 -4.5342 -4.5328 -4.4589 -4.4572 -4.4115 -4.4090 -4.3149 -4.3129 -2.1258 -2.1245 -1.8957 -1.8922 -1.8101 -1.8060 -1.7647 -1.7595 -1.4826 -1.4802 -1.2940 -1.2921 -1.1897 -1.1865 -0.9978 -0.9896 -0.9377 -0.9335 -0.8286 -0.8203 0.1697 0.1716 0.3690 0.3702 0.5207 0.5276 0.5375 0.5408 0.5881 0.5928 0.6373 0.6418 8.9610 8.9618 9.0200 9.0203 10.0097 10.0149 10.4811 10.4836 10.8842 10.8877 10.9438 10.9493 k = 0.1718 0.5000-0.0000 ( 6520 PWs) bands (ev): -19.3218 -19.3217 -19.3028 -19.3026 -17.0433 -17.0406 -17.0195 -17.0181 -16.7723 -16.7716 -16.7199 -16.7174 -16.6683 -16.6678 -16.6588 -16.6584 -7.3366 -7.3357 -7.2840 -7.2835 -5.5793 -5.5743 -5.3598 -5.3585 -4.5437 -4.5423 -4.4749 -4.4732 -4.4239 -4.4216 -4.3230 -4.3212 -2.1274 -2.1262 -1.8928 -1.8896 -1.7999 -1.7960 -1.7517 -1.7468 -1.4813 -1.4791 -1.2923 -1.2907 -1.2001 -1.1975 -0.9771 -0.9701 -0.9279 -0.9219 -0.8234 -0.8144 0.1630 0.1650 0.3724 0.3736 0.5234 0.5290 0.5393 0.5414 0.5933 0.5974 0.6414 0.6458 8.9305 8.9312 8.9893 8.9895 10.0062 10.0112 10.4944 10.4968 10.8828 10.8868 10.9375 10.9434 k = 0.1561 0.5000-0.0000 ( 6515 PWs) bands (ev): -19.3249 -19.3248 -19.3055 -19.3054 -17.0409 -17.0384 -17.0160 -17.0147 -16.7718 -16.7711 -16.7181 -16.7159 -16.6657 -16.6652 -16.6573 -16.6569 -7.3559 -7.3551 -7.3038 -7.3034 -5.5573 -5.5526 -5.3352 -5.3339 -4.5529 -4.5515 -4.4905 -4.4888 -4.4357 -4.4336 -4.3308 -4.3290 -2.1291 -2.1280 -1.8910 -1.8880 -1.7881 -1.7845 -1.7388 -1.7341 -1.4802 -1.4782 -1.2925 -1.2912 -1.2118 -1.2097 -0.9571 -0.9519 -0.9176 -0.9094 -0.8176 -0.8079 0.1561 0.1579 0.3748 0.3759 0.5249 0.5292 0.5409 0.5424 0.5999 0.6034 0.6459 0.6501 8.9010 8.9016 8.9615 8.9617 10.0032 10.0080 10.5075 10.5097 10.8819 10.8862 10.9322 10.9382 k = 0.1405 0.5000-0.0000 ( 6509 PWs) bands (ev): -19.3278 -19.3277 -19.3081 -19.3080 -17.0386 -17.0363 -17.0129 -17.0116 -16.7713 -16.7707 -16.7165 -16.7145 -16.6632 -16.6627 -16.6558 -16.6554 -7.3736 -7.3729 -7.3222 -7.3218 -5.5367 -5.5321 -5.3118 -5.3106 -4.5617 -4.5603 -4.5056 -4.5038 -4.4466 -4.4448 -4.3381 -4.3364 -2.1308 -2.1298 -1.8899 -1.8872 -1.7751 -1.7719 -1.7261 -1.7216 -1.4794 -1.4774 -1.2944 -1.2933 -1.2242 -1.2225 -0.9388 -0.9359 -0.9066 -0.8958 -0.8115 -0.8012 0.1490 0.1508 0.3763 0.3774 0.5257 0.5289 0.5421 0.5434 0.6074 0.6103 0.6508 0.6548 8.8729 8.8734 8.9365 8.9368 10.0008 10.0052 10.5203 10.5222 10.8818 10.8862 10.9277 10.9334 k = 0.1249 0.5000-0.0000 ( 6516 PWs) bands (ev): -19.3305 -19.3304 -19.3105 -19.3104 -17.0366 -17.0345 -17.0100 -17.0088 -16.7709 -16.7703 -16.7151 -16.7134 -16.6608 -16.6603 -16.6544 -16.6540 -7.3898 -7.3892 -7.3389 -7.3386 -5.5175 -5.5132 -5.2899 -5.2887 -4.5700 -4.5687 -4.5200 -4.5183 -4.4567 -4.4552 -4.3448 -4.3433 -2.1325 -2.1316 -1.8893 -1.8870 -1.7615 -1.7586 -1.7137 -1.7095 -1.4788 -1.4769 -1.2977 -1.2966 -1.2367 -1.2353 -0.9237 -0.9227 -0.8941 -0.8811 -0.8054 -0.7947 0.1420 0.1437 0.3770 0.3781 0.5259 0.5283 0.5429 0.5442 0.6154 0.6177 0.6559 0.6596 8.8468 8.8471 8.9143 8.9146 9.9988 10.0029 10.5325 10.5342 10.8825 10.8867 10.9240 10.9290 k = 0.1093 0.5000-0.0000 ( 6516 PWs) bands (ev): -19.3328 -19.3328 -19.3126 -19.3125 -17.0348 -17.0329 -17.0074 -17.0063 -16.7705 -16.7700 -16.7139 -16.7124 -16.6585 -16.6580 -16.6530 -16.6526 -7.4043 -7.4037 -7.3539 -7.3536 -5.4999 -5.4960 -5.2696 -5.2686 -4.5776 -4.5765 -4.5336 -4.5318 -4.4658 -4.4645 -4.3508 -4.3495 -2.1341 -2.1333 -1.8891 -1.8872 -1.7478 -1.7452 -1.7018 -1.6980 -1.4785 -1.4768 -1.3020 -1.3009 -1.2489 -1.2477 -0.9127 -0.9118 -0.8799 -0.8658 -0.7996 -0.7885 0.1353 0.1368 0.3773 0.3783 0.5257 0.5276 0.5434 0.5448 0.6233 0.6252 0.6610 0.6643 8.8229 8.8232 8.8948 8.8950 9.9973 10.0010 10.5441 10.5455 10.8840 10.8879 10.9215 10.9249 k = 0.0937 0.5000-0.0000 ( 6518 PWs) bands (ev): -19.3349 -19.3349 -19.3145 -19.3144 -17.0332 -17.0315 -17.0051 -17.0042 -16.7701 -16.7696 -16.7128 -16.7116 -16.6564 -16.6559 -16.6518 -16.6514 -7.4170 -7.4165 -7.3671 -7.3668 -5.4841 -5.4807 -5.2513 -5.2504 -4.5846 -4.5836 -4.5460 -4.5442 -4.4738 -4.4728 -4.3562 -4.3550 -2.1355 -2.1348 -1.8892 -1.8875 -1.7345 -1.7322 -1.6907 -1.6873 -1.4785 -1.4769 -1.3069 -1.3059 -1.2604 -1.2594 -0.9044 -0.9034 -0.8649 -0.8507 -0.7944 -0.7831 0.1291 0.1304 0.3772 0.3781 0.5253 0.5268 0.5439 0.5451 0.6308 0.6323 0.6659 0.6688 8.8017 8.8019 8.8778 8.8781 9.9962 9.9994 10.5548 10.5561 10.8857 10.8894 10.9206 10.9217 k = 0.0781 0.5000-0.0000 ( 6523 PWs) bands (ev): -19.3368 -19.3367 -19.3162 -19.3161 -17.0318 -17.0304 -17.0032 -17.0024 -16.7698 -16.7694 -16.7119 -16.7109 -16.6546 -16.6541 -16.6507 -16.6503 -7.4279 -7.4275 -7.3783 -7.3781 -5.4704 -5.4674 -5.2352 -5.2343 -4.5907 -4.5900 -4.5571 -4.5554 -4.4807 -4.4799 -4.3608 -4.3598 -2.1368 -2.1362 -1.8893 -1.8880 -1.7219 -1.7200 -1.6805 -1.6776 -1.4788 -1.4774 -1.3121 -1.3110 -1.2707 -1.2699 -0.8979 -0.8970 -0.8502 -0.8365 -0.7900 -0.7787 0.1235 0.1246 0.3769 0.3777 0.5248 0.5259 0.5442 0.5453 0.6375 0.6387 0.6705 0.6730 8.7833 8.7835 8.8634 8.8636 9.9955 9.9982 10.5645 10.5655 10.8867 10.8909 10.9202 10.9221 k = 0.0625 0.5000-0.0000 ( 6531 PWs) bands (ev): -19.3383 -19.3382 -19.3175 -19.3174 -17.0306 -17.0295 -17.0015 -17.0009 -16.7695 -16.7692 -16.7112 -16.7104 -16.6530 -16.6526 -16.6497 -16.6494 -7.4369 -7.4365 -7.3876 -7.3875 -5.4588 -5.4563 -5.2215 -5.2208 -4.5959 -4.5953 -4.5666 -4.5650 -4.4864 -4.4858 -4.3646 -4.3638 -2.1379 -2.1374 -1.8895 -1.8885 -1.7107 -1.7092 -1.6715 -1.6691 -1.4795 -1.4783 -1.3170 -1.3161 -1.2796 -1.2790 -0.8929 -0.8921 -0.8368 -0.8239 -0.7866 -0.7756 0.1187 0.1196 0.3765 0.3772 0.5243 0.5252 0.5445 0.5454 0.6433 0.6442 0.6746 0.6766 8.7681 8.7682 8.8516 8.8518 9.9950 9.9972 10.5730 10.5738 10.8864 10.8914 10.9219 10.9263 k = 0.0468 0.5000-0.0000 ( 6524 PWs) bands (ev): -19.3394 -19.3394 -19.3186 -19.3185 -17.0297 -17.0288 -17.0003 -16.9998 -16.7693 -16.7690 -16.7106 -16.7100 -16.6517 -16.6514 -16.6489 -16.6487 -7.4439 -7.4436 -7.3949 -7.3948 -5.4495 -5.4476 -5.2105 -5.2099 -4.6000 -4.5996 -4.5743 -4.5729 -4.4909 -4.4905 -4.3676 -4.3670 -2.1387 -2.1383 -1.8897 -1.8889 -1.7014 -1.7002 -1.6640 -1.6621 -1.4802 -1.4793 -1.3214 -1.3205 -1.2868 -1.2864 -0.8890 -0.8885 -0.8251 -0.8135 -0.7842 -0.7739 0.1149 0.1156 0.3761 0.3766 0.5239 0.5245 0.5447 0.5454 0.6480 0.6487 0.6780 0.6795 8.7561 8.7562 8.8424 8.8425 9.9948 9.9965 10.5799 10.5805 10.8854 10.8901 10.9274 10.9330 k = 0.0312 0.5000-0.0000 ( 6526 PWs) bands (ev): -19.3403 -19.3403 -19.3193 -19.3193 -17.0289 -17.0284 -16.9993 -16.9990 -16.7691 -16.7689 -16.7102 -16.7098 -16.6507 -16.6505 -16.6484 -16.6482 -7.4489 -7.4487 -7.4001 -7.4000 -5.4427 -5.4414 -5.2024 -5.2020 -4.6030 -4.6028 -4.5798 -4.5788 -4.4941 -4.4939 -4.3697 -4.3693 -2.1393 -2.1390 -1.8898 -1.8893 -1.6942 -1.6934 -1.6581 -1.6569 -1.4810 -1.4803 -1.3247 -1.3241 -1.2921 -1.2918 -0.8863 -0.8860 -0.8154 -0.8060 -0.7822 -0.7737 0.1121 0.1125 0.3758 0.3761 0.5235 0.5240 0.5449 0.5454 0.6515 0.6519 0.6806 0.6816 8.7474 8.7475 8.8358 8.8359 9.9947 9.9959 10.5851 10.5855 10.8843 10.8879 10.9358 10.9416 k = 0.0156 0.5000-0.0000 ( 6534 PWs) bands (ev): -19.3408 -19.3408 -19.3198 -19.3198 -17.0285 -17.0282 -16.9987 -16.9985 -16.7690 -16.7689 -16.7099 -16.7097 -16.6501 -16.6500 -16.6480 -16.6479 -7.4519 -7.4518 -7.4033 -7.4032 -5.4384 -5.4378 -5.1974 -5.1972 -4.6048 -4.6047 -4.5831 -4.5826 -4.4961 -4.4959 -4.3709 -4.3707 -2.1396 -2.1395 -1.8898 -1.8896 -1.6897 -1.6893 -1.6544 -1.6537 -1.4814 -1.4811 -1.3267 -1.3264 -1.2953 -1.2952 -0.8847 -0.8845 -0.8081 -0.8026 -0.7800 -0.7750 0.1104 0.1106 0.3756 0.3758 0.5234 0.5236 0.5451 0.5453 0.6537 0.6539 0.6823 0.6828 8.7422 8.7422 8.8318 8.8319 9.9949 9.9954 10.5884 10.5886 10.8839 10.8857 10.9457 10.9503 k = 0.0000 0.5000-0.0000 ( 6536 PWs) bands (ev): -19.3410 -19.3410 -19.3200 -19.3200 -17.0282 -17.0282 -16.9985 -16.9985 -16.7689 -16.7689 -16.7097 -16.7097 -16.6499 -16.6499 -16.6478 -16.6478 -7.4529 -7.4529 -7.4043 -7.4043 -5.4368 -5.4368 -5.1957 -5.1957 -4.6054 -4.6054 -4.5840 -4.5840 -4.4966 -4.4966 -4.3713 -4.3713 -2.1397 -2.1397 -1.8898 -1.8898 -1.6881 -1.6881 -1.6529 -1.6529 -1.4815 -1.4815 -1.3273 -1.3273 -1.2963 -1.2963 -0.8841 -0.8841 -0.8035 -0.8035 -0.7773 -0.7773 0.1099 0.1099 0.3756 0.3756 0.5234 0.5234 0.5452 0.5452 0.6545 0.6545 0.6831 0.6831 8.7405 8.7405 8.8305 8.8305 9.9951 9.9951 10.5896 10.5896 10.8843 10.8843 10.9533 10.9533 k = 0.0000 0.5000-0.0000 ( 6536 PWs) bands (ev): -19.3410 -19.3410 -19.3200 -19.3200 -17.0282 -17.0282 -16.9985 -16.9985 -16.7689 -16.7689 -16.7097 -16.7097 -16.6499 -16.6499 -16.6478 -16.6478 -7.4529 -7.4529 -7.4043 -7.4043 -5.4368 -5.4368 -5.1957 -5.1957 -4.6054 -4.6054 -4.5840 -4.5840 -4.4966 -4.4966 -4.3713 -4.3713 -2.1397 -2.1397 -1.8898 -1.8898 -1.6881 -1.6881 -1.6529 -1.6529 -1.4815 -1.4815 -1.3273 -1.3273 -1.2963 -1.2963 -0.8841 -0.8841 -0.8035 -0.8035 -0.7773 -0.7773 0.1099 0.1099 0.3756 0.3756 0.5234 0.5234 0.5452 0.5452 0.6545 0.6545 0.6831 0.6831 8.7405 8.7405 8.8305 8.8305 9.9951 9.9951 10.5896 10.5896 10.8843 10.8843 10.9533 10.9533 k = 0.0000 0.5000 0.0155 ( 6538 PWs) bands (ev): -19.3409 -19.3409 -19.3200 -19.3200 -17.0283 -17.0282 -16.9986 -16.9985 -16.7688 -16.7687 -16.7098 -16.7097 -16.6499 -16.6498 -16.6479 -16.6477 -7.4529 -7.4529 -7.4045 -7.4045 -5.4362 -5.4361 -5.1955 -5.1955 -4.6054 -4.6052 -4.5841 -4.5840 -4.4970 -4.4967 -4.3717 -4.3716 -2.1400 -2.1399 -1.8918 -1.8916 -1.6876 -1.6874 -1.6526 -1.6524 -1.4801 -1.4798 -1.3270 -1.3268 -1.2965 -1.2962 -0.8847 -0.8842 -0.8042 -0.8037 -0.7777 -0.7777 0.1105 0.1105 0.3751 0.3752 0.5206 0.5212 0.5410 0.5413 0.6583 0.6588 0.6855 0.6861 8.7418 8.7418 8.8315 8.8315 9.9934 9.9942 10.5872 10.5877 10.8797 10.8817 10.9562 10.9570 k = 0.0000 0.5000 0.0311 ( 6540 PWs) bands (ev): -19.3409 -19.3409 -19.3200 -19.3200 -17.0284 -17.0283 -16.9990 -16.9989 -16.7683 -16.7683 -16.7099 -16.7096 -16.6500 -16.6498 -16.6480 -16.6476 -7.4531 -7.4530 -7.4050 -7.4050 -5.4343 -5.4340 -5.1948 -5.1948 -4.6054 -4.6049 -4.5842 -4.5839 -4.4979 -4.4973 -4.3728 -4.3727 -2.1409 -2.1407 -1.8976 -1.8971 -1.6859 -1.6857 -1.6517 -1.6514 -1.4757 -1.4751 -1.3258 -1.3253 -1.2966 -1.2962 -0.8858 -0.8849 -0.8059 -0.8049 -0.7790 -0.7789 0.1122 0.1123 0.3739 0.3741 0.5134 0.5146 0.5302 0.5307 0.6689 0.6698 0.6928 0.6939 8.7457 8.7459 8.8344 8.8345 9.9891 9.9908 10.5808 10.5816 10.8695 10.8729 10.9517 10.9526 k = 0.0000 0.5000 0.0466 ( 6546 PWs) bands (ev): -19.3407 -19.3407 -19.3202 -19.3201 -17.0285 -17.0284 -16.9996 -16.9994 -16.7676 -16.7675 -16.7101 -16.7096 -16.6500 -16.6497 -16.6481 -16.6475 -7.4533 -7.4532 -7.4058 -7.4058 -5.4311 -5.4307 -5.1937 -5.1937 -4.6051 -4.6045 -4.5843 -4.5839 -4.4992 -4.4983 -4.3746 -4.3744 -2.1424 -2.1421 -1.9067 -1.9060 -1.6833 -1.6829 -1.6501 -1.6496 -1.4686 -1.4677 -1.3235 -1.3229 -1.2968 -1.2962 -0.8876 -0.8862 -0.8084 -0.8069 -0.7810 -0.7808 0.1151 0.1153 0.3717 0.3721 0.5030 0.5047 0.5157 0.5161 0.6836 0.6848 0.7040 0.7054 8.7523 8.7526 8.8393 8.8394 9.9824 9.9849 10.5700 10.5713 10.8561 10.8603 10.9253 10.9270 k = 0.0000 0.5000 0.0622 ( 6532 PWs) bands (ev): -19.3405 -19.3405 -19.3203 -19.3203 -17.0287 -17.0285 -17.0005 -17.0002 -16.7666 -16.7665 -16.7103 -16.7097 -16.6500 -16.6496 -16.6482 -16.6474 -7.4535 -7.4535 -7.4069 -7.4069 -5.4266 -5.4262 -5.1923 -5.1922 -4.6047 -4.6038 -4.5845 -4.5839 -4.5009 -4.4998 -4.3770 -4.3769 -2.1444 -2.1440 -1.9186 -1.9177 -1.6796 -1.6792 -1.6478 -1.6472 -1.4594 -1.4583 -1.3202 -1.3193 -1.2970 -1.2962 -0.8900 -0.8881 -0.8118 -0.8098 -0.7837 -0.7836 0.1191 0.1194 0.3687 0.3692 0.4905 0.4927 0.4995 0.4995 0.7005 0.7018 0.7177 0.7194 8.7615 8.7619 8.8461 8.8463 9.9734 9.9766 10.5547 10.5565 10.8408 10.8453 10.8936 10.8957 k = 0.0000 0.5000 0.0777 ( 6528 PWs) bands (ev): -19.3403 -19.3403 -19.3205 -19.3205 -17.0290 -17.0287 -17.0015 -17.0012 -16.7653 -16.7652 -16.7105 -16.7097 -16.6501 -16.6495 -16.6483 -16.6473 -7.4539 -7.4538 -7.4083 -7.4083 -5.4210 -5.4204 -5.1905 -5.1904 -4.6042 -4.6031 -4.5846 -4.5839 -4.5031 -4.5016 -4.3802 -4.3800 -2.1469 -2.1464 -1.9327 -1.9316 -1.6752 -1.6747 -1.6449 -1.6442 -1.4489 -1.4476 -1.3155 -1.3146 -1.2973 -1.2963 -0.8930 -0.8906 -0.8161 -0.8134 -0.7872 -0.7870 0.1240 0.1245 0.3646 0.3654 0.4763 0.4793 0.4826 0.4833 0.7183 0.7197 0.7330 0.7348 8.7733 8.7738 8.8548 8.8550 9.9621 9.9659 10.5347 10.5370 10.8240 10.8288 10.8592 10.8616 k = 0.0000 0.5000 0.0932 ( 6530 PWs) bands (ev): -19.3400 -19.3400 -19.3207 -19.3207 -17.0292 -17.0289 -17.0027 -17.0023 -16.7638 -16.7636 -16.7107 -16.7098 -16.6501 -16.6494 -16.6484 -16.6472 -7.4542 -7.4542 -7.4100 -7.4099 -5.4142 -5.4135 -5.1884 -5.1883 -4.6034 -4.6022 -4.5847 -4.5839 -4.5056 -4.5038 -4.3841 -4.3838 -2.1498 -2.1492 -1.9483 -1.9472 -1.6699 -1.6695 -1.6414 -1.6406 -1.4377 -1.4363 -1.3093 -1.3085 -1.2975 -1.2965 -0.8966 -0.8936 -0.8211 -0.8179 -0.7914 -0.7912 0.1300 0.1305 0.3594 0.3605 0.4604 0.4629 0.4681 0.4687 0.7364 0.7378 0.7491 0.7510 8.7876 8.7882 8.8654 8.8656 9.9488 9.9531 10.5097 10.5124 10.8061 10.8111 10.8243 10.8269 k = 0.0000 0.5000 0.1088 ( 6532 PWs) bands (ev): -19.3397 -19.3396 -19.3210 -19.3210 -17.0295 -17.0292 -17.0041 -17.0036 -16.7621 -16.7619 -16.7110 -16.7100 -16.6501 -16.6493 -16.6484 -16.6471 -7.4546 -7.4546 -7.4119 -7.4119 -5.4063 -5.4055 -5.1862 -5.1861 -4.6025 -4.6010 -4.5848 -4.5839 -4.5085 -4.5064 -4.3886 -4.3882 -2.1530 -2.1524 -1.9651 -1.9639 -1.6641 -1.6636 -1.6374 -1.6364 -1.4265 -1.4250 -1.3018 -1.3014 -1.2969 -1.2967 -0.9008 -0.8972 -0.8268 -0.8230 -0.7963 -0.7960 0.1367 0.1374 0.3531 0.3546 0.4435 0.4454 0.4555 0.4559 0.7545 0.7559 0.7655 0.7674 8.8044 8.8050 8.8778 8.8779 9.9336 9.9382 10.4793 10.4824 10.7868 10.7912 10.7922 10.7934 k = 0.0000 0.5000 0.1243 ( 6522 PWs) bands (ev): -19.3393 -19.3392 -19.3213 -19.3213 -17.0298 -17.0294 -17.0056 -17.0051 -16.7602 -16.7599 -16.7114 -16.7102 -16.6501 -16.6492 -16.6485 -16.6470 -7.4550 -7.4550 -7.4140 -7.4140 -5.3974 -5.3965 -5.1840 -5.1838 -4.6013 -4.5997 -4.5848 -4.5838 -4.5116 -4.5093 -4.3937 -4.3933 -2.1566 -2.1559 -1.9826 -1.9813 -1.6576 -1.6572 -1.6328 -1.6317 -1.4159 -1.4145 -1.2999 -1.2975 -1.2915 -1.2895 -0.9055 -0.9013 -0.8332 -0.8287 -0.8018 -0.8015 0.1442 0.1451 0.3456 0.3476 0.4266 0.4280 0.4438 0.4444 0.7722 0.7737 0.7819 0.7839 8.8235 8.8243 8.8918 8.8920 9.9166 9.9215 10.4436 10.4469 10.7580 10.7613 10.7693 10.7734 k = 0.0000 0.5000 0.1399 ( 6524 PWs) bands (ev): -19.3388 -19.3388 -19.3217 -19.3216 -17.0301 -17.0297 -17.0072 -17.0067 -16.7582 -16.7578 -16.7117 -16.7105 -16.6501 -16.6490 -16.6485 -16.6469 -7.4555 -7.4554 -7.4164 -7.4163 -5.3876 -5.3866 -5.1818 -5.1815 -4.5999 -4.5982 -4.5848 -4.5837 -4.5150 -4.5123 -4.3994 -4.3990 -2.1604 -2.1596 -2.0004 -1.9990 -1.6506 -1.6502 -1.6277 -1.6265 -1.4063 -1.4050 -1.3005 -1.2983 -1.2796 -1.2781 -0.9108 -0.9060 -0.8400 -0.8348 -0.8078 -0.8075 0.1523 0.1534 0.3371 0.3396 0.4102 0.4113 0.4331 0.4341 0.7894 0.7909 0.7980 0.8000 8.8449 8.8457 8.9076 8.9077 9.8982 9.9031 10.4028 10.4062 10.7293 10.7324 10.7500 10.7540 k = 0.0000 0.5000 0.1554 ( 6516 PWs) bands (ev): -19.3383 -19.3383 -19.3220 -19.3220 -17.0304 -17.0299 -17.0089 -17.0083 -16.7560 -16.7555 -16.7122 -16.7109 -16.6500 -16.6489 -16.6486 -16.6468 -7.4558 -7.4558 -7.4188 -7.4188 -5.3769 -5.3759 -5.1797 -5.1794 -4.5983 -4.5965 -4.5847 -4.5836 -4.5185 -4.5156 -4.4057 -4.4052 -2.1643 -2.1634 -2.0182 -2.0168 -1.6431 -1.6428 -1.6222 -1.6208 -1.3979 -1.3967 -1.3016 -1.2993 -1.2659 -1.2647 -0.9167 -0.9111 -0.8472 -0.8414 -0.8143 -0.8140 0.1608 0.1622 0.3278 0.3308 0.3945 0.3953 0.4235 0.4248 0.8060 0.8075 0.8136 0.8155 8.8684 8.8693 8.9248 8.9249 9.8784 9.8834 10.3574 10.3607 10.7037 10.7065 10.7308 10.7345 k = 0.0000 0.5000 0.1709 ( 6518 PWs) bands (ev): -19.3378 -19.3378 -19.3225 -19.3224 -17.0307 -17.0302 -17.0107 -17.0100 -16.7537 -16.7532 -16.7127 -16.7113 -16.6500 -16.6488 -16.6487 -16.6467 -7.4562 -7.4562 -7.4214 -7.4214 -5.3656 -5.3644 -5.1780 -5.1776 -4.5964 -4.5946 -4.5845 -4.5834 -4.5221 -4.5189 -4.4126 -4.4120 -2.1682 -2.1672 -2.0358 -2.0344 -1.6354 -1.6351 -1.6163 -1.6149 -1.3906 -1.3897 -1.3030 -1.3006 -1.2506 -1.2498 -0.9230 -0.9168 -0.8546 -0.8481 -0.8212 -0.8210 0.1696 0.1714 0.3180 0.3216 0.3798 0.3802 0.4147 0.4164 0.8217 0.8233 0.8285 0.8304 8.8938 8.8949 8.9435 8.9436 9.8575 9.8624 10.3082 10.3114 10.6812 10.6837 10.7121 10.7154 k = 0.0000 0.5000 0.1865 ( 6530 PWs) bands (ev): -19.3373 -19.3372 -19.3229 -19.3229 -17.0310 -17.0304 -17.0125 -17.0118 -16.7513 -16.7507 -16.7133 -16.7118 -16.6500 -16.6487 -16.6486 -16.6466 -7.4565 -7.4565 -7.4241 -7.4240 -5.3536 -5.3524 -5.1767 -5.1762 -4.5942 -4.5926 -4.5840 -4.5832 -4.5257 -4.5223 -4.4199 -4.4193 -2.1720 -2.1710 -2.0528 -2.0514 -1.6273 -1.6272 -1.6103 -1.6087 -1.3844 -1.3837 -1.3046 -1.3022 -1.2341 -1.2337 -0.9299 -0.9231 -0.8620 -0.8550 -0.8283 -0.8282 0.1786 0.1808 0.3080 0.3120 0.3661 0.3662 0.4066 0.4087 0.8366 0.8381 0.8426 0.8445 8.9209 8.9221 8.9634 8.9635 9.8359 9.8405 10.2561 10.2591 10.6616 10.6637 10.6939 10.6968 k = 0.0000 0.5000 0.2020 ( 6530 PWs) bands (ev): -19.3367 -19.3366 -19.3234 -19.3234 -17.0312 -17.0306 -17.0143 -17.0135 -16.7489 -16.7482 -16.7140 -16.7124 -16.6499 -16.6488 -16.6485 -16.6466 -7.4567 -7.4566 -7.4268 -7.4267 -5.3412 -5.3399 -5.1760 -5.1754 -4.5918 -4.5907 -4.5832 -4.5828 -4.5291 -4.5255 -4.4276 -4.4270 -2.1756 -2.1745 -2.0693 -2.0679 -1.6192 -1.6191 -1.6040 -1.6024 -1.3790 -1.3785 -1.3066 -1.3042 -1.2168 -1.2167 -0.9374 -0.9301 -0.8693 -0.8618 -0.8357 -0.8357 0.1875 0.1903 0.2982 0.3026 0.3533 0.3540 0.3989 0.4015 0.8504 0.8520 0.8558 0.8577 8.9495 8.9508 8.9844 8.9845 9.8139 9.8182 10.2020 10.2048 10.6446 10.6463 10.6766 10.6790 k = 0.0000 0.5000 0.2176 ( 6514 PWs) bands (ev): -19.3361 -19.3360 -19.3239 -19.3239 -17.0313 -17.0307 -17.0160 -17.0152 -16.7464 -16.7457 -16.7148 -16.7132 -16.6499 -16.6488 -16.6483 -16.6466 -7.4567 -7.4567 -7.4295 -7.4295 -5.3283 -5.3270 -5.1759 -5.1753 -4.5893 -4.5889 -4.5822 -4.5820 -4.5322 -4.5285 -4.4357 -4.4350 -2.1788 -2.1778 -2.0849 -2.0835 -1.6111 -1.6110 -1.5978 -1.5961 -1.3743 -1.3740 -1.3089 -1.3065 -1.1992 -1.1988 -0.9455 -0.9377 -0.8762 -0.8683 -0.8433 -0.8432 0.1962 0.1996 0.2886 0.2935 0.3419 0.3432 0.3917 0.3946 0.8632 0.8647 0.8680 0.8698 8.9791 8.9805 9.0062 9.0064 9.7918 9.7958 10.1467 10.1493 10.6299 10.6313 10.6604 10.6623 k = 0.0000 0.5000 0.2331 ( 6518 PWs) bands (ev): -19.3354 -19.3354 -19.3245 -19.3244 -17.0314 -17.0307 -17.0177 -17.0169 -16.7440 -16.7432 -16.7156 -16.7140 -16.6499 -16.6489 -16.6482 -16.6465 -7.4567 -7.4567 -7.4323 -7.4322 -5.3153 -5.3139 -5.1767 -5.1759 -4.5875 -4.5868 -4.5813 -4.5802 -4.5349 -4.5311 -4.4441 -4.4434 -2.1817 -2.1806 -2.0997 -2.0983 -1.6032 -1.6031 -1.5917 -1.5900 -1.3701 -1.3699 -1.3116 -1.3091 -1.1814 -1.1807 -0.9541 -0.9461 -0.8825 -0.8745 -0.8509 -0.8506 0.2044 0.2087 0.2797 0.2849 0.3320 0.3341 0.3845 0.3878 0.8748 0.8764 0.8791 0.8809 9.0092 9.0108 9.0286 9.0289 9.7703 9.7738 10.0912 10.0935 10.6173 10.6183 10.6454 10.6468 k = 0.0000 0.5000 0.2486 ( 6520 PWs) bands (ev): -19.3348 -19.3347 -19.3251 -19.3250 -17.0314 -17.0307 -17.0194 -17.0186 -16.7416 -16.7406 -16.7166 -16.7149 -16.6498 -16.6489 -16.6480 -16.6465 -7.4565 -7.4565 -7.4349 -7.4349 -5.3022 -5.3007 -5.1783 -5.1775 -4.5863 -4.5846 -4.5800 -4.5782 -4.5368 -4.5331 -4.4528 -4.4520 -2.1840 -2.1828 -2.1134 -2.1120 -1.5957 -1.5954 -1.5859 -1.5841 -1.3662 -1.3661 -1.3145 -1.3122 -1.1635 -1.1624 -0.9634 -0.9554 -0.8880 -0.8801 -0.8584 -0.8579 0.2119 0.2171 0.2714 0.2770 0.3239 0.3269 0.3775 0.3811 0.8853 0.8868 0.8889 0.8907 9.0394 9.0412 9.0513 9.0517 9.7500 9.7531 10.0361 10.0382 10.6067 10.6073 10.6317 10.6327 k = 0.0000 0.5000 0.2642 ( 6524 PWs) bands (ev): -19.3341 -19.3340 -19.3257 -19.3256 -17.0313 -17.0305 -17.0210 -17.0202 -16.7392 -16.7382 -16.7177 -16.7160 -16.6497 -16.6490 -16.6479 -16.6466 -7.4562 -7.4562 -7.4375 -7.4375 -5.2891 -5.2876 -5.1809 -5.1800 -4.5853 -4.5830 -4.5782 -4.5762 -4.5376 -4.5342 -4.4616 -4.4608 -2.1856 -2.1844 -2.1261 -2.1246 -1.5886 -1.5882 -1.5805 -1.5786 -1.3625 -1.3625 -1.3178 -1.3155 -1.1459 -1.1443 -0.9734 -0.9656 -0.8926 -0.8849 -0.8656 -0.8648 0.2185 0.2246 0.2640 0.2700 0.3178 0.3218 0.3704 0.3744 0.8945 0.8960 0.8976 0.8993 9.0687 9.0706 9.0738 9.0743 9.7317 9.7344 9.9821 9.9840 10.5979 10.5981 10.6195 10.6200 k = 0.0000 0.5000 0.2797 ( 6528 PWs) bands (ev): -19.3334 -19.3333 -19.3263 -19.3263 -17.0311 -17.0303 -17.0225 -17.0217 -16.7369 -16.7357 -16.7188 -16.7172 -16.6497 -16.6490 -16.6477 -16.6466 -7.4557 -7.4557 -7.4400 -7.4400 -5.2762 -5.2747 -5.1846 -5.1836 -4.5843 -4.5817 -4.5764 -4.5749 -4.5370 -4.5341 -4.4705 -4.4697 -2.1865 -2.1853 -2.1375 -2.1361 -1.5822 -1.5817 -1.5756 -1.5738 -1.3590 -1.3589 -1.3213 -1.3192 -1.1284 -1.1265 -0.9841 -0.9766 -0.8961 -0.8889 -0.8725 -0.8713 0.2239 0.2310 0.2574 0.2638 0.3140 0.3190 0.3633 0.3676 0.9024 0.9039 0.9050 0.9067 9.0952 9.0962 9.0966 9.0984 9.7166 9.7188 9.9302 9.9318 10.5907 10.5908 10.6089 10.6090 k = 0.0000 0.5000 0.2953 ( 6530 PWs) bands (ev): -19.3327 -19.3326 -19.3270 -19.3269 -17.0308 -17.0300 -17.0239 -17.0231 -16.7346 -16.7334 -16.7201 -16.7185 -16.6496 -16.6491 -16.6475 -16.6466 -7.4550 -7.4550 -7.4424 -7.4423 -5.2637 -5.2622 -5.1894 -5.1883 -4.5832 -4.5806 -4.5751 -4.5743 -4.5347 -4.5326 -4.4794 -4.4786 -2.1866 -2.1853 -2.1478 -2.1464 -1.5766 -1.5759 -1.5715 -1.5697 -1.3555 -1.3553 -1.3250 -1.3231 -1.1114 -1.1090 -0.9955 -0.9885 -0.8985 -0.8919 -0.8788 -0.8773 0.2281 0.2360 0.2518 0.2585 0.3127 0.3185 0.3561 0.3608 0.9089 0.9105 0.9110 0.9127 9.1158 9.1169 9.1209 9.1230 9.7060 9.7078 9.8810 9.8824 10.5850 10.5853 10.5997 10.5998 k = 0.0000 0.5000 0.3108 ( 6524 PWs) bands (ev): -19.3319 -19.3319 -19.3277 -19.3276 -17.0304 -17.0296 -17.0252 -17.0243 -16.7324 -16.7311 -16.7215 -16.7199 -16.6496 -16.6492 -16.6474 -16.6467 -7.4541 -7.4541 -7.4446 -7.4446 -5.2516 -5.2501 -5.1953 -5.1941 -4.5820 -4.5794 -4.5746 -4.5744 -4.5308 -4.5295 -4.4882 -4.4874 -2.1857 -2.1844 -2.1569 -2.1555 -1.5720 -1.5711 -1.5682 -1.5665 -1.3520 -1.3516 -1.3289 -1.3271 -1.0948 -1.0919 -1.0077 -1.0012 -0.8997 -0.8939 -0.8845 -0.8825 0.2312 0.2396 0.2471 0.2542 0.3139 0.3202 0.3489 0.3540 0.9141 0.9157 0.9157 0.9173 9.1340 9.1353 9.1411 9.1433 9.7012 9.7026 9.8356 9.8368 10.5810 10.5815 10.5920 10.5924 k = 0.0000 0.5000 0.3263 ( 6528 PWs) bands (ev): -19.3312 -19.3312 -19.3283 -19.3283 -17.0298 -17.0290 -17.0264 -17.0255 -16.7303 -16.7290 -16.7231 -16.7215 -16.6495 -16.6492 -16.6473 -16.6468 -7.4530 -7.4530 -7.4466 -7.4466 -5.2401 -5.2386 -5.2023 -5.2010 -4.5808 -4.5783 -4.5754 -4.5745 -4.5256 -4.5250 -4.4967 -4.4960 -2.1837 -2.1824 -2.1647 -2.1633 -1.5684 -1.5673 -1.5660 -1.5643 -1.3483 -1.3478 -1.3328 -1.3313 -1.0787 -1.0753 -1.0205 -1.0147 -0.8998 -0.8947 -0.8894 -0.8870 0.2335 0.2421 0.2432 0.2507 0.3172 0.3237 0.3418 0.3471 0.9179 0.9189 0.9195 0.9206 9.1490 9.1506 9.1557 9.1579 9.7036 9.7047 9.7951 9.7961 10.5787 10.5793 10.5860 10.5865 k = 0.0000 0.5000 0.3419 ( 6530 PWs) bands (ev): -19.3305 -19.3304 -19.3291 -19.3290 -17.0292 -17.0283 -17.0274 -17.0266 -16.7283 -16.7269 -16.7247 -16.7232 -16.6494 -16.6493 -16.6471 -16.6469 -7.4517 -7.4517 -7.4485 -7.4485 -5.2293 -5.2278 -5.2103 -5.2089 -4.5794 -4.5771 -4.5766 -4.5751 -4.5193 -4.5191 -4.5048 -4.5043 -2.1807 -2.1794 -2.1712 -2.1699 -1.5660 -1.5648 -1.5647 -1.5632 -1.3446 -1.3438 -1.3368 -1.3356 -1.0632 -1.0592 -1.0341 -1.0289 -0.8988 -0.8944 -0.8935 -0.8905 0.2356 0.2401 0.2441 0.2480 0.3221 0.3284 0.3347 0.3405 0.9203 0.9208 0.9219 0.9225 9.1597 9.1615 9.1637 9.1658 9.7142 9.7152 9.7606 9.7615 10.5780 10.5787 10.5816 10.5823 k = 0.0000 0.5000 0.3574 ( 6520 PWs) bands (ev): -19.3298 -19.3298 -19.3297 -19.3297 -17.0284 -17.0284 -17.0275 -17.0275 -16.7265 -16.7265 -16.7250 -16.7250 -16.6494 -16.6494 -16.6470 -16.6470 -7.4502 -7.4502 -7.4502 -7.4502 -5.2193 -5.2193 -5.2179 -5.2179 -4.5780 -4.5780 -4.5760 -4.5760 -4.5123 -4.5123 -4.5121 -4.5121 -2.1766 -2.1766 -2.1752 -2.1752 -1.5648 -1.5648 -1.5634 -1.5634 -1.3407 -1.3407 -1.3397 -1.3397 -1.0483 -1.0483 -1.0437 -1.0437 -0.8967 -0.8967 -0.8930 -0.8930 0.2377 0.2377 0.2459 0.2459 0.3281 0.3281 0.3342 0.3342 0.9213 0.9213 0.9229 0.9229 9.1649 9.1649 9.1669 9.1669 9.7333 9.7333 9.7342 9.7342 10.5790 10.5790 10.5797 10.5797 k = 0.0000 0.5000 0.3574 ( 6520 PWs) bands (ev): -19.3298 -19.3298 -19.3297 -19.3297 -17.0284 -17.0284 -17.0275 -17.0275 -16.7265 -16.7265 -16.7250 -16.7250 -16.6494 -16.6494 -16.6470 -16.6470 -7.4502 -7.4502 -7.4502 -7.4502 -5.2193 -5.2193 -5.2179 -5.2179 -4.5780 -4.5780 -4.5760 -4.5760 -4.5123 -4.5123 -4.5121 -4.5121 -2.1766 -2.1766 -2.1752 -2.1752 -1.5648 -1.5648 -1.5634 -1.5634 -1.3407 -1.3407 -1.3397 -1.3397 -1.0483 -1.0483 -1.0437 -1.0437 -0.8967 -0.8967 -0.8930 -0.8930 0.2377 0.2377 0.2459 0.2459 0.3281 0.3281 0.3342 0.3342 0.9213 0.9213 0.9229 0.9229 9.1649 9.1649 9.1669 9.1669 9.7333 9.7333 9.7342 9.7342 10.5790 10.5790 10.5797 10.5797 k = 0.0156 0.5000 0.3574 ( 6520 PWs) bands (ev): -19.3296 -19.3296 -19.3295 -19.3295 -17.0285 -17.0285 -17.0276 -17.0276 -16.7266 -16.7266 -16.7251 -16.7251 -16.6495 -16.6495 -16.6471 -16.6471 -7.4491 -7.4491 -7.4491 -7.4491 -5.2211 -5.2211 -5.2195 -5.2195 -4.5773 -4.5773 -4.5752 -4.5752 -4.5119 -4.5119 -4.5111 -4.5111 -2.1764 -2.1764 -2.1750 -2.1750 -1.5654 -1.5654 -1.5640 -1.5640 -1.3420 -1.3420 -1.3409 -1.3409 -1.0477 -1.0477 -1.0431 -1.0431 -0.8962 -0.8962 -0.8924 -0.8924 0.2370 0.2370 0.2452 0.2452 0.3281 0.3281 0.3341 0.3341 0.9208 0.9208 0.9225 0.9225 9.1667 9.1667 9.1686 9.1686 9.7342 9.7342 9.7351 9.7351 10.5799 10.5799 10.5807 10.5807 k = 0.0312 0.5000 0.3574 ( 6528 PWs) bands (ev): -19.3291 -19.3291 -19.3290 -19.3290 -17.0289 -17.0289 -17.0278 -17.0278 -16.7269 -16.7269 -16.7253 -16.7253 -16.6500 -16.6500 -16.6476 -16.6476 -7.4459 -7.4459 -7.4459 -7.4459 -5.2262 -5.2262 -5.2244 -5.2244 -4.5752 -4.5752 -4.5728 -4.5728 -4.5100 -4.5100 -4.5087 -4.5087 -2.1758 -2.1758 -2.1744 -2.1744 -1.5673 -1.5673 -1.5658 -1.5658 -1.3457 -1.3457 -1.3443 -1.3443 -1.0460 -1.0460 -1.0412 -1.0412 -0.8948 -0.8948 -0.8908 -0.8908 0.2352 0.2352 0.2433 0.2433 0.3280 0.3280 0.3341 0.3341 0.9196 0.9196 0.9212 0.9212 9.1719 9.1719 9.1738 9.1738 9.7368 9.7368 9.7378 9.7378 10.5827 10.5827 10.5835 10.5835 k = 0.0468 0.5000 0.3574 ( 6520 PWs) bands (ev): -19.3283 -19.3283 -19.3282 -19.3282 -17.0295 -17.0295 -17.0282 -17.0282 -16.7273 -16.7273 -16.7257 -16.7257 -16.6508 -16.6508 -16.6482 -16.6482 -7.4406 -7.4406 -7.4405 -7.4405 -5.2345 -5.2345 -5.2324 -5.2324 -4.5717 -4.5717 -4.5688 -4.5688 -4.5068 -4.5068 -4.5048 -4.5048 -2.1749 -2.1749 -2.1735 -2.1735 -1.5704 -1.5704 -1.5688 -1.5688 -1.3516 -1.3516 -1.3499 -1.3499 -1.0433 -1.0433 -1.0382 -1.0382 -0.8924 -0.8924 -0.8881 -0.8881 0.2321 0.2321 0.2402 0.2402 0.3279 0.3279 0.3340 0.3340 0.9174 0.9174 0.9191 0.9191 9.1805 9.1805 9.1825 9.1825 9.7412 9.7412 9.7422 9.7422 10.5874 10.5874 10.5882 10.5882 k = 0.0625 0.5000 0.3574 ( 6514 PWs) bands (ev): -19.3272 -19.3272 -19.3271 -19.3271 -17.0303 -17.0303 -17.0288 -17.0288 -16.7280 -16.7280 -16.7262 -16.7262 -16.6519 -16.6519 -16.6492 -16.6492 -7.4332 -7.4332 -7.4331 -7.4331 -5.2458 -5.2458 -5.2434 -5.2434 -4.5669 -4.5669 -4.5636 -4.5636 -4.5022 -4.5022 -4.4996 -4.4996 -2.1736 -2.1736 -2.1721 -2.1721 -1.5746 -1.5746 -1.5728 -1.5728 -1.3595 -1.3595 -1.3575 -1.3575 -1.0398 -1.0398 -1.0344 -1.0344 -0.8893 -0.8893 -0.8845 -0.8845 0.2279 0.2279 0.2359 0.2359 0.3279 0.3279 0.3339 0.3339 0.9145 0.9145 0.9162 0.9162 9.1925 9.1925 9.1945 9.1945 9.7474 9.7474 9.7484 9.7484 10.5938 10.5938 10.5948 10.5948 k = 0.0781 0.5000 0.3574 ( 6522 PWs) bands (ev): -19.3258 -19.3258 -19.3257 -19.3257 -17.0314 -17.0314 -17.0297 -17.0297 -16.7288 -16.7288 -16.7269 -16.7269 -16.6533 -16.6533 -16.6504 -16.6504 -7.4238 -7.4238 -7.4236 -7.4236 -5.2600 -5.2600 -5.2573 -5.2573 -4.5609 -4.5609 -4.5573 -4.5573 -4.4963 -4.4963 -4.4931 -4.4931 -2.1720 -2.1720 -2.1704 -2.1704 -1.5798 -1.5798 -1.5780 -1.5780 -1.3691 -1.3691 -1.3668 -1.3668 -1.0359 -1.0359 -1.0299 -1.0299 -0.8854 -0.8854 -0.8800 -0.8800 0.2227 0.2227 0.2306 0.2306 0.3279 0.3279 0.3339 0.3339 0.9107 0.9107 0.9124 0.9124 9.2078 9.2078 9.2099 9.2099 9.7552 9.7552 9.7563 9.7563 10.6020 10.6020 10.6030 10.6030 k = 0.0937 0.5000 0.3574 ( 6524 PWs) bands (ev): -19.3241 -19.3241 -19.3239 -19.3239 -17.0327 -17.0327 -17.0307 -17.0307 -16.7298 -16.7298 -16.7278 -16.7278 -16.6549 -16.6549 -16.6517 -16.6517 -7.4123 -7.4123 -7.4121 -7.4121 -5.2768 -5.2768 -5.2737 -5.2737 -4.5539 -4.5539 -4.5500 -4.5500 -4.4891 -4.4891 -4.4854 -4.4854 -2.1700 -2.1700 -2.1683 -2.1683 -1.5861 -1.5861 -1.5840 -1.5840 -1.3803 -1.3803 -1.3775 -1.3775 -1.0318 -1.0318 -1.0252 -1.0252 -0.8809 -0.8809 -0.8749 -0.8749 0.2165 0.2165 0.2243 0.2243 0.3280 0.3280 0.3340 0.3340 0.9060 0.9060 0.9077 0.9077 9.2264 9.2264 9.2285 9.2285 9.7648 9.7648 9.7659 9.7659 10.6118 10.6118 10.6128 10.6128 k = 0.1093 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.3221 -19.3221 -19.3219 -19.3219 -17.0341 -17.0341 -17.0319 -17.0319 -16.7311 -16.7311 -16.7288 -16.7288 -16.6567 -16.6567 -16.6533 -16.6533 -7.3989 -7.3989 -7.3986 -7.3986 -5.2960 -5.2960 -5.2926 -5.2926 -4.5460 -4.5460 -4.5419 -4.5419 -4.4808 -4.4808 -4.4766 -4.4766 -2.1677 -2.1677 -2.1659 -2.1659 -1.5932 -1.5932 -1.5910 -1.5910 -1.3926 -1.3926 -1.3894 -1.3894 -1.0277 -1.0277 -1.0204 -1.0204 -0.8758 -0.8758 -0.8693 -0.8693 0.2096 0.2096 0.2173 0.2173 0.3283 0.3283 0.3343 0.3343 0.9005 0.9005 0.9023 0.9023 9.2482 9.2482 9.2503 9.2503 9.7761 9.7761 9.7773 9.7773 10.6230 10.6230 10.6242 10.6242 k = 0.1249 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.3199 -19.3199 -19.3197 -19.3197 -17.0358 -17.0358 -17.0333 -17.0333 -16.7324 -16.7324 -16.7301 -16.7301 -16.6587 -16.6587 -16.6550 -16.6550 -7.3836 -7.3836 -7.3833 -7.3833 -5.3172 -5.3172 -5.3135 -5.3135 -4.5373 -4.5373 -4.5332 -4.5332 -4.4714 -4.4714 -4.4669 -4.4669 -2.1650 -2.1650 -2.1631 -2.1631 -1.6012 -1.6012 -1.5988 -1.5988 -1.4057 -1.4057 -1.4022 -1.4022 -1.0238 -1.0238 -1.0160 -1.0160 -0.8705 -0.8705 -0.8634 -0.8634 0.2022 0.2022 0.2098 0.2098 0.3287 0.3287 0.3347 0.3347 0.8942 0.8942 0.8960 0.8960 9.2729 9.2729 9.2751 9.2751 9.7891 9.7891 9.7903 9.7903 10.6357 10.6357 10.6369 10.6369 k = 0.1405 0.5000 0.3574 ( 6508 PWs) bands (ev): -19.3174 -19.3174 -19.3172 -19.3172 -17.0377 -17.0377 -17.0350 -17.0350 -16.7340 -16.7340 -16.7315 -16.7315 -16.6607 -16.6607 -16.6569 -16.6569 -7.3665 -7.3665 -7.3662 -7.3662 -5.3403 -5.3403 -5.3364 -5.3364 -4.5280 -4.5280 -4.5238 -4.5238 -4.4612 -4.4612 -4.4564 -4.4564 -2.1620 -2.1620 -2.1600 -2.1600 -1.6098 -1.6098 -1.6073 -1.6073 -1.4196 -1.4196 -1.4157 -1.4157 -1.0206 -1.0206 -1.0120 -1.0120 -0.8650 -0.8650 -0.8572 -0.8572 0.1944 0.1944 0.2020 0.2020 0.3293 0.3293 0.3355 0.3355 0.8871 0.8871 0.8889 0.8889 9.3005 9.3005 9.3027 9.3027 9.8038 9.8038 9.8051 9.8051 10.6495 10.6495 10.6508 10.6508 k = 0.1561 0.5000 0.3574 ( 6504 PWs) bands (ev): -19.3147 -19.3147 -19.3144 -19.3144 -17.0398 -17.0398 -17.0368 -17.0368 -16.7357 -16.7357 -16.7330 -16.7330 -16.6629 -16.6629 -16.6588 -16.6588 -7.3478 -7.3478 -7.3474 -7.3474 -5.3650 -5.3650 -5.3609 -5.3609 -4.5181 -4.5181 -4.5140 -4.5140 -4.4502 -4.4502 -4.4452 -4.4452 -2.1587 -2.1587 -2.1566 -2.1566 -1.6192 -1.6192 -1.6164 -1.6164 -1.4338 -1.4338 -1.4296 -1.4296 -1.0180 -1.0180 -1.0089 -1.0089 -0.8594 -0.8594 -0.8511 -0.8511 0.1866 0.1866 0.1942 0.1942 0.3302 0.3302 0.3364 0.3364 0.8791 0.8791 0.8810 0.8810 9.3308 9.3308 9.3331 9.3331 9.8202 9.8202 9.8216 9.8216 10.6643 10.6643 10.6657 10.6657 k = 0.1718 0.5000 0.3574 ( 6510 PWs) bands (ev): -19.3118 -19.3118 -19.3115 -19.3115 -17.0420 -17.0420 -17.0388 -17.0388 -16.7376 -16.7376 -16.7347 -16.7347 -16.6651 -16.6651 -16.6608 -16.6608 -7.3274 -7.3274 -7.3269 -7.3269 -5.3911 -5.3911 -5.3869 -5.3869 -4.5078 -4.5078 -4.5037 -4.5037 -4.4387 -4.4387 -4.4334 -4.4334 -2.1551 -2.1551 -2.1528 -2.1528 -1.6292 -1.6292 -1.6262 -1.6262 -1.4481 -1.4481 -1.4436 -1.4436 -1.0164 -1.0164 -1.0067 -1.0067 -0.8538 -0.8538 -0.8451 -0.8451 0.1790 0.1790 0.1867 0.1867 0.3312 0.3312 0.3376 0.3376 0.8704 0.8704 0.8723 0.8723 9.3636 9.3636 9.3660 9.3660 9.8383 9.8383 9.8398 9.8398 10.6800 10.6800 10.6814 10.6814 k = 0.1874 0.5000 0.3574 ( 6512 PWs) bands (ev): -19.3087 -19.3087 -19.3084 -19.3084 -17.0445 -17.0445 -17.0411 -17.0411 -16.7395 -16.7395 -16.7366 -16.7366 -16.6672 -16.6672 -16.6627 -16.6627 -7.3056 -7.3056 -7.3050 -7.3050 -5.4185 -5.4185 -5.4141 -5.4141 -4.4971 -4.4971 -4.4932 -4.4932 -4.4267 -4.4267 -4.4213 -4.4213 -2.1511 -2.1511 -2.1488 -2.1488 -1.6398 -1.6398 -1.6366 -1.6366 -1.4624 -1.4624 -1.4576 -1.4576 -1.0160 -1.0160 -1.0058 -1.0058 -0.8484 -0.8484 -0.8394 -0.8394 0.1718 0.1718 0.1796 0.1796 0.3325 0.3325 0.3391 0.3391 0.8608 0.8608 0.8628 0.8628 9.3986 9.3986 9.4012 9.4012 9.8581 9.8581 9.8598 9.8598 10.6963 10.6963 10.6978 10.6978 k = 0.2030 0.5000 0.3574 ( 6506 PWs) bands (ev): -19.3055 -19.3055 -19.3052 -19.3052 -17.0471 -17.0471 -17.0435 -17.0435 -16.7417 -16.7417 -16.7386 -16.7386 -16.6694 -16.6694 -16.6647 -16.6647 -7.2824 -7.2824 -7.2818 -7.2818 -5.4468 -5.4468 -5.4423 -5.4423 -4.4862 -4.4862 -4.4824 -4.4824 -4.4144 -4.4144 -4.4088 -4.4088 -2.1469 -2.1469 -2.1444 -2.1444 -1.6510 -1.6510 -1.6476 -1.6476 -1.4762 -1.4762 -1.4712 -1.4712 -1.0168 -1.0168 -1.0062 -1.0062 -0.8432 -0.8432 -0.8339 -0.8339 0.1654 0.1654 0.1733 0.1733 0.3341 0.3341 0.3409 0.3409 0.8506 0.8506 0.8526 0.8526 9.4356 9.4356 9.4383 9.4383 9.8797 9.8797 9.8815 9.8815 10.7129 10.7129 10.7144 10.7144 k = 0.2186 0.5000 0.3574 ( 6508 PWs) bands (ev): -19.3021 -19.3021 -19.3018 -19.3018 -17.0499 -17.0499 -17.0461 -17.0461 -16.7439 -16.7439 -16.7407 -16.7407 -16.6714 -16.6714 -16.6666 -16.6666 -7.2580 -7.2580 -7.2573 -7.2573 -5.4760 -5.4760 -5.4714 -5.4714 -4.4751 -4.4751 -4.4714 -4.4714 -4.4018 -4.4018 -4.3961 -4.3961 -2.1423 -2.1423 -2.1397 -2.1397 -1.6630 -1.6630 -1.6592 -1.6592 -1.4895 -1.4895 -1.4843 -1.4843 -1.0190 -1.0190 -1.0082 -1.0082 -0.8383 -0.8383 -0.8288 -0.8288 0.1598 0.1598 0.1678 0.1678 0.3360 0.3360 0.3430 0.3430 0.8396 0.8396 0.8417 0.8417 9.4743 9.4743 9.4772 9.4772 9.9031 9.9031 9.9051 9.9051 10.7297 10.7297 10.7312 10.7312 k = 0.2342 0.5000 0.3574 ( 6508 PWs) bands (ev): -19.2987 -19.2987 -19.2984 -19.2984 -17.0528 -17.0528 -17.0488 -17.0488 -16.7461 -16.7461 -16.7430 -16.7430 -16.6734 -16.6734 -16.6685 -16.6685 -7.2325 -7.2325 -7.2318 -7.2318 -5.5059 -5.5059 -5.5012 -5.5012 -4.4640 -4.4640 -4.4604 -4.4604 -4.3891 -4.3891 -4.3834 -4.3834 -2.1375 -2.1375 -2.1348 -2.1348 -1.6756 -1.6756 -1.6716 -1.6716 -1.5019 -1.5019 -1.4966 -1.4966 -1.0228 -1.0228 -1.0118 -1.0118 -0.8336 -0.8336 -0.8241 -0.8241 0.1552 0.1552 0.1634 0.1634 0.3382 0.3382 0.3455 0.3455 0.8279 0.8279 0.8301 0.8301 9.5143 9.5143 9.5174 9.5174 9.9284 9.9284 9.9306 9.9306 10.7463 10.7463 10.7478 10.7478 k = 0.2498 0.5000 0.3574 ( 6506 PWs) bands (ev): -19.2953 -19.2953 -19.2949 -19.2949 -17.0558 -17.0558 -17.0517 -17.0517 -16.7484 -16.7484 -16.7452 -16.7452 -16.6753 -16.6753 -16.6702 -16.6702 -7.2062 -7.2062 -7.2054 -7.2054 -5.5362 -5.5362 -5.5314 -5.5314 -4.4529 -4.4529 -4.4494 -4.4494 -4.3764 -4.3764 -4.3706 -4.3706 -2.1323 -2.1323 -2.1295 -2.1295 -1.6890 -1.6890 -1.6846 -1.6846 -1.5133 -1.5133 -1.5079 -1.5079 -1.0281 -1.0281 -1.0171 -1.0171 -0.8291 -0.8291 -0.8198 -0.8198 0.1519 0.1519 0.1602 0.1602 0.3407 0.3407 0.3483 0.3483 0.8156 0.8156 0.8179 0.8179 9.5552 9.5552 9.5584 9.5584 9.9558 9.9558 9.9581 9.9581 10.7624 10.7624 10.7639 10.7639 k = 0.2654 0.5000 0.3574 ( 6508 PWs) bands (ev): -19.2918 -19.2918 -19.2914 -19.2914 -17.0589 -17.0589 -17.0546 -17.0546 -16.7507 -16.7507 -16.7476 -16.7476 -16.6771 -16.6771 -16.6719 -16.6719 -7.1791 -7.1791 -7.1782 -7.1782 -5.5668 -5.5668 -5.5619 -5.5619 -4.4420 -4.4420 -4.4386 -4.4386 -4.3637 -4.3637 -4.3579 -4.3579 -2.1269 -2.1269 -2.1239 -2.1239 -1.7033 -1.7033 -1.6985 -1.6985 -1.5233 -1.5233 -1.5180 -1.5180 -1.0351 -1.0351 -1.0241 -1.0241 -0.8249 -0.8249 -0.8158 -0.8158 0.1497 0.1497 0.1581 0.1581 0.3437 0.3437 0.3516 0.3516 0.8028 0.8028 0.8051 0.8051 9.5966 9.5966 9.6000 9.6000 9.9853 9.9853 9.9879 9.9879 10.7777 10.7777 10.7792 10.7792 k = 0.2810 0.5000 0.3574 ( 6510 PWs) bands (ev): -19.2883 -19.2883 -19.2879 -19.2879 -17.0620 -17.0620 -17.0576 -17.0576 -16.7530 -16.7530 -16.7499 -16.7499 -16.6787 -16.6787 -16.6735 -16.6735 -7.1515 -7.1515 -7.1506 -7.1506 -5.5975 -5.5975 -5.5925 -5.5925 -4.4313 -4.4313 -4.4280 -4.4280 -4.3510 -4.3510 -4.3454 -4.3454 -2.1211 -2.1211 -2.1180 -2.1180 -1.7183 -1.7183 -1.7131 -1.7131 -1.5320 -1.5320 -1.5267 -1.5267 -1.0436 -1.0436 -1.0327 -1.0327 -0.8208 -0.8208 -0.8121 -0.8121 0.1487 0.1487 0.1573 0.1573 0.3471 0.3471 0.3553 0.3553 0.7893 0.7893 0.7917 0.7917 9.6378 9.6378 9.6414 9.6414 10.0172 10.0172 10.0200 10.0200 10.7918 10.7918 10.7933 10.7933 k = 0.2967 0.5000 0.3574 ( 6514 PWs) bands (ev): -19.2849 -19.2849 -19.2845 -19.2845 -17.0652 -17.0652 -17.0607 -17.0607 -16.7552 -16.7552 -16.7522 -16.7522 -16.6802 -16.6802 -16.6749 -16.6749 -7.1237 -7.1237 -7.1226 -7.1226 -5.6281 -5.6281 -5.6231 -5.6231 -4.4210 -4.4210 -4.4178 -4.4178 -4.3386 -4.3386 -4.3331 -4.3331 -2.1149 -2.1149 -2.1118 -2.1118 -1.7340 -1.7340 -1.7284 -1.7284 -1.5392 -1.5392 -1.5340 -1.5340 -1.0536 -1.0536 -1.0429 -1.0429 -0.8170 -0.8170 -0.8088 -0.8088 0.1488 0.1488 0.1575 0.1575 0.3510 0.3510 0.3595 0.3595 0.7754 0.7754 0.7779 0.7779 9.6784 9.6784 9.6822 9.6822 10.0516 10.0516 10.0546 10.0546 10.8045 10.8045 10.8060 10.8060 k = 0.3123 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.2816 -19.2816 -19.2812 -19.2812 -17.0683 -17.0683 -17.0638 -17.0638 -16.7574 -16.7574 -16.7545 -16.7545 -16.6816 -16.6816 -16.6763 -16.6763 -7.0958 -7.0958 -7.0946 -7.0946 -5.6584 -5.6584 -5.6533 -5.6533 -4.4112 -4.4112 -4.4081 -4.4081 -4.3264 -4.3264 -4.3210 -4.3210 -2.1084 -2.1084 -2.1053 -2.1053 -1.7504 -1.7504 -1.7444 -1.7444 -1.5450 -1.5450 -1.5399 -1.5399 -1.0649 -1.0649 -1.0543 -1.0543 -0.8134 -0.8134 -0.8056 -0.8056 0.1500 0.1500 0.1588 0.1588 0.3555 0.3555 0.3642 0.3642 0.7611 0.7611 0.7637 0.7637 9.7178 9.7178 9.7217 9.7217 10.0887 10.0887 10.0920 10.0920 10.8154 10.8154 10.8170 10.8170 k = 0.3279 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.2783 -19.2783 -19.2779 -19.2779 -17.0714 -17.0714 -17.0668 -17.0668 -16.7594 -16.7594 -16.7566 -16.7566 -16.6829 -16.6829 -16.6775 -16.6775 -7.0680 -7.0680 -7.0668 -7.0668 -5.6881 -5.6881 -5.6829 -5.6829 -4.4020 -4.4020 -4.3990 -4.3990 -4.3145 -4.3145 -4.3094 -4.3094 -2.1016 -2.1016 -2.0984 -2.0984 -1.7674 -1.7674 -1.7609 -1.7609 -1.5493 -1.5493 -1.5444 -1.5444 -1.0772 -1.0772 -1.0667 -1.0667 -0.8099 -0.8099 -0.8027 -0.8027 0.1521 0.1521 0.1609 0.1609 0.3604 0.3604 0.3694 0.3694 0.7465 0.7465 0.7492 0.7492 9.7555 9.7555 9.7595 9.7595 10.1287 10.1287 10.1321 10.1321 10.8243 10.8243 10.8260 10.8260 k = 0.3435 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.2753 -19.2753 -19.2749 -19.2749 -17.0744 -17.0744 -17.0698 -17.0698 -16.7614 -16.7614 -16.7587 -16.7587 -16.6840 -16.6840 -16.6786 -16.6786 -7.0408 -7.0408 -7.0395 -7.0395 -5.7170 -5.7170 -5.7118 -5.7118 -4.3933 -4.3933 -4.3904 -4.3904 -4.3031 -4.3031 -4.2982 -4.2982 -2.0943 -2.0943 -2.0911 -2.0911 -1.7847 -1.7847 -1.7778 -1.7778 -1.5523 -1.5523 -1.5475 -1.5475 -1.0902 -1.0902 -1.0799 -1.0799 -0.8067 -0.8067 -0.8001 -0.8001 0.1549 0.1549 0.1636 0.1636 0.3660 0.3660 0.3752 0.3752 0.7318 0.7318 0.7345 0.7345 9.7910 9.7910 9.7951 9.7951 10.1714 10.1714 10.1750 10.1750 10.8311 10.8311 10.8330 10.8330 k = 0.3591 0.5000 0.3574 ( 6516 PWs) bands (ev): -19.2724 -19.2724 -19.2720 -19.2720 -17.0773 -17.0773 -17.0727 -17.0727 -16.7631 -16.7631 -16.7607 -16.7607 -16.6850 -16.6850 -16.6796 -16.6796 -7.0144 -7.0144 -7.0129 -7.0129 -5.7449 -5.7449 -5.7395 -5.7395 -4.3853 -4.3853 -4.3826 -4.3826 -4.2922 -4.2922 -4.2876 -4.2876 -2.0867 -2.0867 -2.0834 -2.0834 -1.8023 -1.8023 -1.7949 -1.7949 -1.5541 -1.5541 -1.5494 -1.5494 -1.1037 -1.1037 -1.0935 -1.0935 -0.8037 -0.8037 -0.7976 -0.7976 0.1581 0.1581 0.1668 0.1668 0.3722 0.3722 0.3815 0.3815 0.7169 0.7169 0.7198 0.7198 9.8238 9.8238 9.8280 9.8280 10.2168 10.2168 10.2206 10.2206 10.8356 10.8356 10.8378 10.8378 k = 0.3747 0.5000 0.3574 ( 6514 PWs) bands (ev): -19.2697 -19.2697 -19.2693 -19.2693 -17.0800 -17.0800 -17.0754 -17.0754 -16.7647 -16.7647 -16.7624 -16.7624 -16.6859 -16.6859 -16.6805 -16.6805 -6.9892 -6.9892 -6.9876 -6.9876 -5.7713 -5.7713 -5.7659 -5.7659 -4.3781 -4.3781 -4.3755 -4.3755 -4.2820 -4.2820 -4.2777 -4.2777 -2.0786 -2.0786 -2.0754 -2.0754 -1.8198 -1.8198 -1.8120 -1.8120 -1.5548 -1.5548 -1.5502 -1.5502 -1.1174 -1.1174 -1.1072 -1.1072 -0.8009 -0.8009 -0.7954 -0.7954 0.1617 0.1617 0.1703 0.1703 0.3788 0.3788 0.3884 0.3884 0.7022 0.7022 0.7051 0.7051 9.8538 9.8538 9.8579 9.8579 10.2644 10.2644 10.2684 10.2684 10.8381 10.8381 10.8406 10.8406 k = 0.3903 0.5000 0.3574 ( 6512 PWs) bands (ev): -19.2673 -19.2673 -19.2669 -19.2669 -17.0825 -17.0825 -17.0778 -17.0778 -16.7662 -16.7662 -16.7641 -16.7641 -16.6867 -16.6867 -16.6813 -16.6813 -6.9655 -6.9655 -6.9637 -6.9637 -5.7960 -5.7960 -5.7905 -5.7905 -4.3717 -4.3717 -4.3692 -4.3692 -4.2727 -4.2727 -4.2687 -4.2687 -2.0702 -2.0702 -2.0671 -2.0671 -1.8372 -1.8372 -1.8288 -1.8288 -1.5546 -1.5546 -1.5502 -1.5502 -1.1307 -1.1307 -1.1205 -1.1205 -0.7984 -0.7984 -0.7934 -0.7934 0.1653 0.1653 0.1738 0.1738 0.3859 0.3859 0.3956 0.3956 0.6878 0.6878 0.6908 0.6908 9.8806 9.8806 9.8847 9.8847 10.3140 10.3140 10.3182 10.3182 10.8385 10.8385 10.8414 10.8414 k = 0.4060 0.5000 0.3574 ( 6518 PWs) bands (ev): -19.2651 -19.2651 -19.2647 -19.2647 -17.0848 -17.0848 -17.0801 -17.0801 -16.7674 -16.7674 -16.7655 -16.7655 -16.6874 -16.6874 -16.6820 -16.6820 -6.9437 -6.9437 -6.9418 -6.9418 -5.8186 -5.8186 -5.8130 -5.8130 -4.3660 -4.3660 -4.3636 -4.3636 -4.2642 -4.2642 -4.2606 -4.2606 -2.0615 -2.0615 -2.0585 -2.0585 -1.8541 -1.8541 -1.8452 -1.8452 -1.5539 -1.5539 -1.5495 -1.5495 -1.1433 -1.1433 -1.1332 -1.1332 -0.7962 -0.7962 -0.7917 -0.7917 0.1688 0.1688 0.1771 0.1771 0.3933 0.3933 0.4031 0.4031 0.6739 0.6739 0.6770 0.6770 9.9041 9.9041 9.9081 9.9081 10.3647 10.3647 10.3691 10.3691 10.8371 10.8371 10.8405 10.8405 k = 0.4216 0.5000 0.3574 ( 6514 PWs) bands (ev): -19.2632 -19.2632 -19.2628 -19.2628 -17.0868 -17.0868 -17.0821 -17.0821 -16.7684 -16.7684 -16.7668 -16.7668 -16.6880 -16.6880 -16.6825 -16.6825 -6.9242 -6.9242 -6.9223 -6.9223 -5.8386 -5.8386 -5.8330 -5.8330 -4.3612 -4.3612 -4.3589 -4.3589 -4.2568 -4.2568 -4.2535 -4.2535 -2.0527 -2.0527 -2.0497 -2.0497 -1.8703 -1.8703 -1.8607 -1.8607 -1.5526 -1.5526 -1.5483 -1.5483 -1.1549 -1.1549 -1.1447 -1.1447 -0.7943 -0.7943 -0.7902 -0.7902 0.1721 0.1721 0.1802 0.1802 0.4008 0.4008 0.4106 0.4106 0.6609 0.6609 0.6641 0.6641 9.9243 9.9243 9.9282 9.9282 10.4156 10.4156 10.4203 10.4203 10.8339 10.8339 10.8378 10.8378 k = 0.4372 0.5000 0.3574 ( 6506 PWs) bands (ev): -19.2617 -19.2617 -19.2612 -19.2612 -17.0884 -17.0884 -17.0837 -17.0837 -16.7692 -16.7692 -16.7679 -16.7679 -16.6884 -16.6884 -16.6830 -16.6830 -6.9076 -6.9076 -6.9055 -6.9055 -5.8558 -5.8558 -5.8500 -5.8500 -4.3573 -4.3573 -4.3551 -4.3551 -4.2505 -4.2505 -4.2475 -4.2475 -2.0440 -2.0440 -2.0411 -2.0411 -1.8853 -1.8853 -1.8750 -1.8750 -1.5512 -1.5512 -1.5468 -1.5468 -1.1651 -1.1651 -1.1548 -1.1548 -0.7927 -0.7927 -0.7890 -0.7890 0.1750 0.1750 0.1828 0.1828 0.4079 0.4079 0.4178 0.4178 0.6491 0.6491 0.6525 0.6525 9.9409 9.9409 9.9448 9.9448 10.4656 10.4656 10.4706 10.4706 10.8288 10.8288 10.8333 10.8333 k = 0.4528 0.5000 0.3574 ( 6506 PWs) bands (ev): -19.2604 -19.2604 -19.2600 -19.2600 -17.0897 -17.0897 -17.0851 -17.0851 -16.7699 -16.7699 -16.7687 -16.7687 -16.6888 -16.6888 -16.6834 -16.6834 -6.8941 -6.8941 -6.8919 -6.8919 -5.8697 -5.8697 -5.8638 -5.8638 -4.3542 -4.3542 -4.3521 -4.3521 -4.2455 -4.2455 -4.2428 -4.2428 -2.0358 -2.0358 -2.0328 -2.0328 -1.8988 -1.8988 -1.8876 -1.8876 -1.5498 -1.5498 -1.5454 -1.5454 -1.1735 -1.1735 -1.1631 -1.1631 -0.7914 -0.7914 -0.7880 -0.7880 0.1773 0.1773 0.1850 0.1850 0.4143 0.4143 0.4243 0.4243 0.6391 0.6391 0.6426 0.6426 9.9540 9.9540 9.9578 9.9578 10.5127 10.5127 10.5182 10.5182 10.8218 10.8218 10.8265 10.8265 k = 0.4684 0.5000 0.3574 ( 6506 PWs) bands (ev): -19.2595 -19.2595 -19.2591 -19.2591 -17.0907 -17.0907 -17.0860 -17.0860 -16.7703 -16.7703 -16.7694 -16.7694 -16.6890 -16.6890 -16.6836 -16.6836 -6.8841 -6.8841 -6.8819 -6.8819 -5.8799 -5.8799 -5.8740 -5.8740 -4.3520 -4.3520 -4.3499 -4.3499 -4.2419 -4.2419 -4.2394 -4.2394 -2.0289 -2.0289 -2.0257 -2.0257 -1.9098 -1.9098 -1.8978 -1.8978 -1.5486 -1.5486 -1.5442 -1.5442 -1.1797 -1.1797 -1.1692 -1.1692 -0.7905 -0.7905 -0.7873 -0.7873 0.1790 0.1790 0.1866 0.1866 0.4194 0.4194 0.4295 0.4295 0.6314 0.6314 0.6349 0.6349 9.9635 9.9635 9.9672 9.9672 10.5540 10.5540 10.5599 10.5599 10.8129 10.8129 10.8173 10.8173 k = 0.4840 0.5000 0.3574 ( 6500 PWs) bands (ev): -19.2590 -19.2590 -19.2586 -19.2586 -17.0913 -17.0913 -17.0866 -17.0866 -16.7706 -16.7706 -16.7698 -16.7698 -16.6892 -16.6892 -16.6838 -16.6838 -6.8780 -6.8780 -6.8757 -6.8757 -5.8862 -5.8862 -5.8802 -5.8802 -4.3506 -4.3506 -4.3486 -4.3486 -4.2397 -4.2397 -4.2373 -4.2373 -2.0242 -2.0242 -2.0206 -2.0206 -1.9172 -1.9172 -1.9045 -1.9045 -1.5478 -1.5478 -1.5434 -1.5434 -1.1836 -1.1836 -1.1731 -1.1731 -0.7899 -0.7899 -0.7869 -0.7869 0.1801 0.1801 0.1876 0.1876 0.4227 0.4227 0.4329 0.4329 0.6264 0.6264 0.6300 0.6300 9.9692 9.9692 9.9728 9.9728 10.5843 10.5843 10.5906 10.5906 10.8043 10.8043 10.8072 10.8072 k = 0.4996 0.5000 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k = 0.4996 0.5000 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k = 0.4885 0.4889 0.3574 ( 6500 PWs) bands (ev): -19.2590 -19.2590 -19.2586 -19.2586 -17.0913 -17.0913 -17.0866 -17.0866 -16.7706 -16.7706 -16.7698 -16.7698 -16.6892 -16.6892 -16.6838 -16.6838 -6.8780 -6.8780 -6.8757 -6.8757 -5.8861 -5.8861 -5.8802 -5.8802 -4.3507 -4.3507 -4.3487 -4.3487 -4.2396 -4.2396 -4.2372 -4.2372 -2.0232 -2.0232 -2.0195 -2.0195 -1.9185 -1.9185 -1.9056 -1.9056 -1.5478 -1.5478 -1.5433 -1.5433 -1.1834 -1.1834 -1.1728 -1.1728 -0.7899 -0.7899 -0.7870 -0.7870 0.1801 0.1801 0.1875 0.1875 0.4229 0.4229 0.4331 0.4331 0.6263 0.6263 0.6299 0.6299 9.9693 9.9693 9.9729 9.9729 10.5862 10.5862 10.5924 10.5924 10.8012 10.8012 10.8021 10.8021 k = 0.4774 0.4778 0.3574 ( 6504 PWs) bands (ev): -19.2595 -19.2595 -19.2591 -19.2591 -17.0907 -17.0907 -17.0860 -17.0860 -16.7703 -16.7703 -16.7694 -16.7694 -16.6890 -16.6890 -16.6836 -16.6836 -6.8842 -6.8842 -6.8820 -6.8820 -5.8797 -5.8797 -5.8738 -5.8738 -4.3524 -4.3524 -4.3503 -4.3503 -4.2418 -4.2418 -4.2392 -4.2392 -2.0254 -2.0254 -2.0217 -2.0217 -1.9144 -1.9144 -1.9019 -1.9019 -1.5485 -1.5485 -1.5439 -1.5439 -1.1789 -1.1789 -1.1683 -1.1683 -0.7907 -0.7907 -0.7876 -0.7876 0.1790 0.1790 0.1865 0.1865 0.4200 0.4200 0.4302 0.4302 0.6307 0.6307 0.6344 0.6344 9.9637 9.9637 9.9675 9.9675 10.5608 10.5608 10.5662 10.5662 10.8020 10.8020 10.8030 10.8030 k = 0.4663 0.4667 0.3574 ( 6508 PWs) bands (ev): -19.2605 -19.2605 -19.2600 -19.2600 -17.0897 -17.0897 -17.0850 -17.0850 -16.7699 -16.7699 -16.7688 -16.7688 -16.6887 -16.6887 -16.6833 -16.6833 -6.8943 -6.8943 -6.8921 -6.8921 -5.8693 -5.8693 -5.8635 -5.8635 -4.3552 -4.3552 -4.3530 -4.3530 -4.2452 -4.2452 -4.2423 -4.2423 -2.0285 -2.0285 -2.0250 -2.0250 -1.9082 -1.9082 -1.8962 -1.8962 -1.5495 -1.5495 -1.5448 -1.5448 -1.1716 -1.1716 -1.1611 -1.1611 -0.7919 -0.7919 -0.7887 -0.7887 0.1771 0.1771 0.1847 0.1847 0.4157 0.4157 0.4260 0.4260 0.6377 0.6377 0.6414 0.6414 9.9540 9.9540 9.9579 9.9579 10.5259 10.5259 10.5305 10.5305 10.8032 10.8032 10.8044 10.8044 k = 0.4552 0.4556 0.3574 ( 6504 PWs) bands (ev): -19.2617 -19.2617 -19.2613 -19.2613 -17.0883 -17.0883 -17.0836 -17.0836 -16.7694 -16.7694 -16.7680 -16.7680 -16.6883 -16.6883 -16.6829 -16.6829 -6.9080 -6.9080 -6.9059 -6.9059 -5.8552 -5.8552 -5.8495 -5.8495 -4.3590 -4.3590 -4.3567 -4.3567 -4.2499 -4.2499 -4.2466 -4.2466 -2.0323 -2.0323 -2.0288 -2.0288 -1.9003 -1.9003 -1.8889 -1.8889 -1.5506 -1.5506 -1.5457 -1.5457 -1.1618 -1.1618 -1.1513 -1.1513 -0.7936 -0.7936 -0.7901 -0.7901 0.1746 0.1746 0.1822 0.1822 0.4105 0.4105 0.4208 0.4208 0.6467 0.6467 0.6503 0.6503 9.9394 9.9394 9.9435 9.9435 10.4871 10.4871 10.4909 10.4909 10.8049 10.8049 10.8062 10.8062 k = 0.4441 0.4444 0.3574 ( 6518 PWs) bands (ev): -19.2634 -19.2634 -19.2629 -19.2629 -17.0865 -17.0865 -17.0818 -17.0818 -16.7686 -16.7686 -16.7669 -16.7669 -16.6878 -16.6878 -16.6824 -16.6824 -6.9249 -6.9249 -6.9229 -6.9229 -5.8378 -5.8378 -5.8322 -5.8322 -4.3639 -4.3639 -4.3615 -4.3615 -4.2558 -4.2558 -4.2521 -4.2521 -2.0363 -2.0363 -2.0328 -2.0328 -1.8914 -1.8914 -1.8804 -1.8804 -1.5515 -1.5515 -1.5464 -1.5464 -1.1498 -1.1498 -1.1393 -1.1393 -0.7958 -0.7958 -0.7920 -0.7920 0.1714 0.1714 0.1791 0.1791 0.4049 0.4049 0.4152 0.4152 0.6572 0.6572 0.6608 0.6608 9.9190 9.9190 9.9233 9.9233 10.4482 10.4482 10.4517 10.4517 10.8069 10.8069 10.8085 10.8085 k = 0.4330 0.4333 0.3574 ( 6518 PWs) bands (ev): -19.2653 -19.2653 -19.2649 -19.2649 -17.0844 -17.0844 -17.0797 -17.0797 -16.7676 -16.7676 -16.7657 -16.7657 -16.6872 -16.6872 -16.6818 -16.6818 -6.9446 -6.9446 -6.9428 -6.9428 -5.8175 -5.8175 -5.8119 -5.8119 -4.3699 -4.3699 -4.3674 -4.3674 -4.2627 -4.2627 -4.2586 -4.2586 -2.0402 -2.0402 -2.0366 -2.0366 -1.8817 -1.8817 -1.8712 -1.8712 -1.5520 -1.5520 -1.5467 -1.5467 -1.1359 -1.1359 -1.1254 -1.1254 -0.7984 -0.7984 -0.7943 -0.7943 0.1677 0.1677 0.1754 0.1754 0.3994 0.3994 0.4097 0.4097 0.6687 0.6687 0.6722 0.6722 9.8919 9.8919 9.8965 9.8965 10.4122 10.4122 10.4155 10.4155 10.8095 10.8095 10.8113 10.8113 k = 0.4219 0.4222 0.3574 ( 6510 PWs) bands (ev): -19.2676 -19.2676 -19.2672 -19.2672 -17.0819 -17.0819 -17.0772 -17.0772 -16.7665 -16.7665 -16.7643 -16.7643 -16.6865 -16.6865 -16.6811 -16.6811 -6.9669 -6.9669 -6.9651 -6.9651 -5.7947 -5.7947 -5.7892 -5.7892 -4.3770 -4.3770 -4.3743 -4.3743 -4.2705 -4.2705 -4.2660 -4.2660 -2.0437 -2.0437 -2.0401 -2.0401 -1.8717 -1.8717 -1.8616 -1.8616 -1.5518 -1.5518 -1.5463 -1.5463 -1.1205 -1.1205 -1.1101 -1.1101 -0.8015 -0.8015 -0.7970 -0.7970 0.1635 0.1635 0.1712 0.1712 0.3943 0.3943 0.4045 0.4045 0.6808 0.6808 0.6842 0.6842 9.8575 9.8575 9.8621 9.8621 10.3810 10.3810 10.3845 10.3845 10.8126 10.8126 10.8147 10.8147 k = 0.4108 0.4111 0.3574 ( 6506 PWs) bands (ev): -19.2702 -19.2702 -19.2698 -19.2698 -17.0791 -17.0791 -17.0744 -17.0744 -16.7652 -16.7652 -16.7627 -16.7627 -16.6857 -16.6857 -16.6803 -16.6803 -6.9912 -6.9912 -6.9896 -6.9896 -5.7698 -5.7698 -5.7644 -5.7644 -4.3851 -4.3851 -4.3822 -4.3822 -4.2791 -4.2791 -4.2743 -4.2743 -2.0466 -2.0466 -2.0429 -2.0429 -1.8616 -1.8616 -1.8519 -1.8519 -1.5507 -1.5507 -1.5451 -1.5451 -1.1040 -1.1040 -1.0935 -1.0935 -0.8049 -0.8049 -0.8001 -0.8001 0.1590 0.1590 0.1666 0.1666 0.3900 0.3900 0.4000 0.4000 0.6933 0.6933 0.6966 0.6966 9.8155 9.8155 9.8202 9.8202 10.3557 10.3557 10.3594 10.3594 10.8162 10.8162 10.8185 10.8185 k = 0.3997 0.4000 0.3574 ( 6498 PWs) bands (ev): -19.2730 -19.2730 -19.2726 -19.2726 -17.0760 -17.0760 -17.0713 -17.0713 -16.7636 -16.7636 -16.7609 -16.7609 -16.6847 -16.6847 -16.6793 -16.6793 -7.0173 -7.0173 -7.0158 -7.0158 -5.7431 -5.7431 -5.7379 -5.7379 -4.3941 -4.3941 -4.3912 -4.3912 -4.2885 -4.2885 -4.2832 -4.2832 -2.0488 -2.0488 -2.0451 -2.0451 -1.8518 -1.8518 -1.8424 -1.8424 -1.5484 -1.5484 -1.5427 -1.5427 -1.0867 -1.0867 -1.0761 -1.0761 -0.8088 -0.8088 -0.8035 -0.8035 0.1544 0.1544 0.1618 0.1618 0.3866 0.3866 0.3963 0.3963 0.7058 0.7058 0.7089 0.7089 9.7663 9.7663 9.7710 9.7710 10.3365 10.3365 10.3405 10.3405 10.8204 10.8204 10.8229 10.8229 k = 0.3886 0.3889 0.3574 ( 6502 PWs) bands (ev): -19.2762 -19.2762 -19.2758 -19.2758 -17.0726 -17.0726 -17.0679 -17.0679 -16.7619 -16.7619 -16.7590 -16.7590 -16.6837 -16.6837 -16.6783 -16.6783 -7.0448 -7.0448 -7.0434 -7.0434 -5.7152 -5.7152 -5.7100 -5.7100 -4.4042 -4.4042 -4.4011 -4.4011 -4.2984 -4.2984 -4.2928 -4.2928 -2.0501 -2.0501 -2.0464 -2.0464 -1.8423 -1.8423 -1.8334 -1.8334 -1.5448 -1.5448 -1.5391 -1.5391 -1.0689 -1.0689 -1.0583 -1.0583 -0.8130 -0.8130 -0.8073 -0.8073 0.1498 0.1498 0.1569 0.1569 0.3842 0.3842 0.3935 0.3935 0.7181 0.7181 0.7211 0.7211 9.7109 9.7109 9.7154 9.7154 10.3231 10.3231 10.3274 10.3274 10.8251 10.8251 10.8278 10.8278 k = 0.3775 0.3778 0.3574 ( 6514 PWs) bands (ev): -19.2796 -19.2796 -19.2792 -19.2792 -17.0689 -17.0689 -17.0642 -17.0642 -16.7601 -16.7601 -16.7569 -16.7569 -16.6827 -16.6827 -16.6773 -16.6773 -7.0734 -7.0734 -7.0721 -7.0721 -5.6863 -5.6863 -5.6812 -5.6812 -4.4151 -4.4151 -4.4120 -4.4120 -4.3087 -4.3087 -4.3029 -4.3029 -2.0505 -2.0505 -2.0468 -2.0468 -1.8336 -1.8336 -1.8249 -1.8249 -1.5399 -1.5399 -1.5341 -1.5341 -1.0511 -1.0511 -1.0404 -1.0404 -0.8175 -0.8175 -0.8114 -0.8114 0.1454 0.1454 0.1523 0.1523 0.3828 0.3828 0.3918 0.3918 0.7300 0.7300 0.7328 0.7328 9.6504 9.6504 9.6546 9.6546 10.3148 10.3148 10.3194 10.3194 10.8304 10.8304 10.8332 10.8332 k = 0.3664 0.3667 0.3574 ( 6514 PWs) bands (ev): -19.2833 -19.2833 -19.2829 -19.2829 -17.0649 -17.0649 -17.0602 -17.0602 -16.7580 -16.7580 -16.7546 -16.7546 -16.6815 -16.6815 -16.6761 -16.6761 -7.1029 -7.1029 -7.1016 -7.1016 -5.6567 -5.6567 -5.6516 -5.6516 -4.4268 -4.4268 -4.4236 -4.4236 -4.3194 -4.3194 -4.3133 -4.3133 -2.0499 -2.0499 -2.0462 -2.0462 -1.8255 -1.8255 -1.8172 -1.8172 -1.5334 -1.5334 -1.5278 -1.5278 -1.0334 -1.0334 -1.0226 -1.0226 -0.8223 -0.8223 -0.8157 -0.8157 0.1416 0.1416 0.1481 0.1481 0.3824 0.3824 0.3911 0.3911 0.7415 0.7415 0.7441 0.7441 9.5857 9.5857 9.5897 9.5897 10.3107 10.3107 10.3156 10.3156 10.8361 10.8361 10.8391 10.8391 k = 0.3553 0.3556 0.3574 ( 6502 PWs) bands (ev): -19.2872 -19.2872 -19.2868 -19.2868 -17.0608 -17.0608 -17.0561 -17.0561 -16.7558 -16.7558 -16.7521 -16.7521 -16.6803 -16.6803 -16.6748 -16.6748 -7.1330 -7.1330 -7.1318 -7.1318 -5.6267 -5.6267 -5.6217 -5.6217 -4.4393 -4.4393 -4.4360 -4.4360 -4.3302 -4.3302 -4.3240 -4.3240 -2.0481 -2.0481 -2.0444 -2.0444 -1.8183 -1.8183 -1.8104 -1.8104 -1.5255 -1.5255 -1.5200 -1.5200 -1.0163 -1.0163 -1.0053 -1.0053 -0.8273 -0.8273 -0.8203 -0.8203 0.1384 0.1384 0.1446 0.1446 0.3831 0.3831 0.3914 0.3914 0.7523 0.7523 0.7548 0.7548 9.5181 9.5181 9.5217 9.5217 10.3102 10.3102 10.3153 10.3153 10.8423 10.8423 10.8456 10.8456 k = 0.3442 0.3444 0.3574 ( 6506 PWs) bands (ev): -19.2913 -19.2913 -19.2909 -19.2909 -17.0564 -17.0564 -17.0517 -17.0517 -16.7534 -16.7534 -16.7495 -16.7495 -16.6790 -16.6790 -16.6735 -16.6735 -7.1634 -7.1634 -7.1623 -7.1623 -5.5965 -5.5965 -5.5916 -5.5916 -4.4523 -4.4523 -4.4490 -4.4490 -4.3413 -4.3413 -4.3349 -4.3349 -2.0452 -2.0452 -2.0416 -2.0416 -1.8120 -1.8120 -1.8044 -1.8044 -1.5163 -1.5163 -1.5109 -1.5109 -1.0001 -1.0001 -0.9889 -0.9889 -0.8324 -0.8324 -0.8249 -0.8249 0.1360 0.1360 0.1420 0.1420 0.3847 0.3847 0.3926 0.3926 0.7624 0.7624 0.7647 0.7647 9.4483 9.4483 9.4516 9.4516 10.3126 10.3126 10.3180 10.3180 10.8487 10.8487 10.8523 10.8523 k = 0.3331 0.3333 0.3574 ( 6514 PWs) bands (ev): -19.2955 -19.2955 -19.2952 -19.2952 -17.0519 -17.0519 -17.0472 -17.0472 -16.7508 -16.7508 -16.7468 -16.7468 -16.6776 -16.6776 -16.6722 -16.6722 -7.1941 -7.1941 -7.1931 -7.1931 -5.5665 -5.5665 -5.5616 -5.5616 -4.4658 -4.4658 -4.4625 -4.4625 -4.3524 -4.3524 -4.3459 -4.3459 -2.0412 -2.0412 -2.0375 -2.0375 -1.8066 -1.8066 -1.7994 -1.7994 -1.5057 -1.5057 -1.5006 -1.5006 -0.9851 -0.9851 -0.9736 -0.9736 -0.8376 -0.8376 -0.8296 -0.8296 0.1348 0.1348 0.1405 0.1405 0.3871 0.3871 0.3948 0.3948 0.7718 0.7718 0.7739 0.7739 9.3770 9.3770 9.3800 9.3800 10.3175 10.3175 10.3231 10.3231 10.8551 10.8551 10.8593 10.8593 k = 0.3220 0.3222 0.3574 ( 6510 PWs) bands (ev): -19.3000 -19.3000 -19.2996 -19.2996 -17.0472 -17.0472 -17.0426 -17.0426 -16.7481 -16.7481 -16.7439 -16.7439 -16.6762 -16.6762 -16.6708 -16.6708 -7.2249 -7.2249 -7.2239 -7.2239 -5.5368 -5.5368 -5.5319 -5.5319 -4.4795 -4.4795 -4.4763 -4.4763 -4.3636 -4.3636 -4.3571 -4.3571 -2.0359 -2.0359 -2.0323 -2.0323 -1.8021 -1.8021 -1.7952 -1.7952 -1.4940 -1.4940 -1.4891 -1.4891 -0.9715 -0.9715 -0.9598 -0.9598 -0.8426 -0.8426 -0.8341 -0.8341 0.1347 0.1347 0.1403 0.1403 0.3905 0.3905 0.3979 0.3979 0.7803 0.7803 0.7822 0.7822 9.3049 9.3049 9.3076 9.3076 10.3244 10.3244 10.3304 10.3304 10.8614 10.8614 10.8664 10.8664 k = 0.3109 0.3111 0.3574 ( 6506 PWs) bands (ev): -19.3045 -19.3045 -19.3042 -19.3042 -17.0424 -17.0424 -17.0378 -17.0378 -16.7453 -16.7453 -16.7409 -16.7409 -16.6747 -16.6747 -16.6693 -16.6693 -7.2556 -7.2556 -7.2546 -7.2546 -5.5077 -5.5077 -5.5028 -5.5028 -4.4935 -4.4935 -4.4902 -4.4902 -4.3747 -4.3747 -4.3682 -4.3682 -2.0295 -2.0295 -2.0258 -2.0258 -1.7983 -1.7983 -1.7917 -1.7917 -1.4814 -1.4814 -1.4768 -1.4768 -0.9598 -0.9598 -0.9478 -0.9478 -0.8473 -0.8473 -0.8384 -0.8384 0.1360 0.1360 0.1415 0.1415 0.3946 0.3946 0.4019 0.4019 0.7879 0.7879 0.7897 0.7897 9.2324 9.2324 9.2349 9.2349 10.3331 10.3331 10.3394 10.3394 10.8673 10.8673 10.8731 10.8731 k = 0.2998 0.3000 0.3574 ( 6514 PWs) bands (ev): -19.3092 -19.3092 -19.3088 -19.3088 -17.0375 -17.0375 -17.0329 -17.0329 -16.7423 -16.7423 -16.7377 -16.7377 -16.6733 -16.6733 -16.6678 -16.6678 -7.2860 -7.2860 -7.2851 -7.2851 -5.4792 -5.4792 -5.4744 -5.4744 -4.5075 -4.5075 -4.5042 -4.5042 -4.3858 -4.3858 -4.3793 -4.3793 -2.0218 -2.0218 -2.0182 -2.0182 -1.7952 -1.7952 -1.7890 -1.7890 -1.4681 -1.4681 -1.4637 -1.4637 -0.9503 -0.9503 -0.9381 -0.9381 -0.8514 -0.8514 -0.8421 -0.8421 0.1387 0.1387 0.1442 0.1442 0.3994 0.3994 0.4066 0.4066 0.7947 0.7947 0.7962 0.7962 9.1600 9.1600 9.1622 9.1622 10.3434 10.3434 10.3501 10.3501 10.8724 10.8724 10.8793 10.8793 k = 0.2887 0.2889 0.3574 ( 6502 PWs) bands (ev): -19.3139 -19.3139 -19.3136 -19.3136 -17.0326 -17.0326 -17.0280 -17.0280 -16.7393 -16.7393 -16.7345 -16.7345 -16.6718 -16.6718 -16.6663 -16.6663 -7.3161 -7.3161 -7.3153 -7.3153 -5.4517 -5.4517 -5.4469 -5.4469 -4.5212 -4.5212 -4.5179 -4.5179 -4.3967 -4.3967 -4.3903 -4.3903 -2.0130 -2.0130 -2.0094 -2.0094 -1.7928 -1.7928 -1.7869 -1.7869 -1.4541 -1.4541 -1.4500 -1.4500 -0.9431 -0.9431 -0.9309 -0.9309 -0.8546 -0.8546 -0.8452 -0.8452 0.1428 0.1428 0.1485 0.1485 0.4049 0.4049 0.4122 0.4122 0.8004 0.8004 0.8018 0.8018 9.0881 9.0881 9.0900 9.0900 10.3551 10.3551 10.3621 10.3621 10.8765 10.8765 10.8846 10.8846 k = 0.2776 0.2778 0.3574 ( 6510 PWs) bands (ev): -19.3187 -19.3187 -19.3184 -19.3184 -17.0276 -17.0276 -17.0231 -17.0231 -16.7361 -16.7361 -16.7311 -16.7311 -16.6703 -16.6703 -16.6648 -16.6648 -7.3458 -7.3458 -7.3450 -7.3450 -5.4252 -5.4252 -5.4205 -5.4205 -4.5347 -4.5347 -4.5314 -4.5314 -4.4075 -4.4075 -4.4012 -4.4012 -2.0032 -2.0032 -1.9995 -1.9995 -1.7908 -1.7908 -1.7852 -1.7852 -1.4398 -1.4398 -1.4360 -1.4360 -0.9386 -0.9386 -0.9266 -0.9266 -0.8568 -0.8568 -0.8475 -0.8475 0.1484 0.1484 0.1543 0.1543 0.4111 0.4111 0.4184 0.4184 0.8052 0.8052 0.8064 0.8064 9.0168 9.0168 9.0186 9.0186 10.3680 10.3680 10.3754 10.3754 10.8793 10.8793 10.8884 10.8884 k = 0.2665 0.2667 0.3574 ( 6520 PWs) bands (ev): -19.3236 -19.3236 -19.3233 -19.3233 -17.0226 -17.0226 -17.0182 -17.0182 -16.7327 -16.7327 -16.7277 -16.7277 -16.6687 -16.6687 -16.6633 -16.6633 -7.3750 -7.3750 -7.3742 -7.3742 -5.4000 -5.4000 -5.3953 -5.3953 -4.5478 -4.5478 -4.5444 -4.5444 -4.4181 -4.4181 -4.4119 -4.4119 -1.9923 -1.9923 -1.9886 -1.9886 -1.7891 -1.7891 -1.7838 -1.7838 -1.4253 -1.4253 -1.4217 -1.4217 -0.9365 -0.9365 -0.9250 -0.9250 -0.8580 -0.8580 -0.8491 -0.8491 0.1555 0.1555 0.1616 0.1616 0.4179 0.4179 0.4253 0.4253 0.8091 0.8091 0.8101 0.8101 8.9467 8.9467 8.9482 8.9482 10.3819 10.3819 10.3897 10.3897 10.8804 10.8804 10.8906 10.8906 k = 0.2554 0.2556 0.3574 ( 6524 PWs) bands (ev): -19.3284 -19.3284 -19.3281 -19.3281 -17.0176 -17.0176 -17.0133 -17.0133 -16.7294 -16.7294 -16.7242 -16.7242 -16.6672 -16.6672 -16.6618 -16.6618 -7.4035 -7.4035 -7.4028 -7.4028 -5.3762 -5.3762 -5.3715 -5.3715 -4.5602 -4.5602 -4.5567 -4.5567 -4.4285 -4.4285 -4.4223 -4.4223 -1.9806 -1.9806 -1.9768 -1.9768 -1.7876 -1.7876 -1.7826 -1.7826 -1.4107 -1.4107 -1.4073 -1.4073 -0.9368 -0.9368 -0.9260 -0.9260 -0.8586 -0.8586 -0.8503 -0.8503 0.1640 0.1640 0.1704 0.1704 0.4252 0.4252 0.4328 0.4328 0.8120 0.8120 0.8128 0.8128 8.8777 8.8777 8.8791 8.8791 10.3968 10.3968 10.4050 10.4050 10.8797 10.8797 10.8906 10.8906 k = 0.2443 0.2444 0.3574 ( 6524 PWs) bands (ev): -19.3332 -19.3332 -19.3330 -19.3330 -17.0127 -17.0127 -17.0084 -17.0084 -16.7259 -16.7259 -16.7206 -16.7206 -16.6657 -16.6657 -16.6603 -16.6603 -7.4313 -7.4313 -7.4306 -7.4306 -5.3539 -5.3539 -5.3492 -5.3492 -4.5718 -4.5718 -4.5683 -4.5683 -4.4386 -4.4386 -4.4325 -4.4325 -1.9681 -1.9681 -1.9643 -1.9643 -1.7862 -1.7862 -1.7813 -1.7813 -1.3962 -1.3962 -1.3930 -1.3930 -0.9389 -0.9389 -0.9288 -0.9288 -0.8590 -0.8590 -0.8514 -0.8514 0.1738 0.1738 0.1805 0.1805 0.4331 0.4331 0.4409 0.4409 0.8140 0.8140 0.8146 0.8146 8.8103 8.8103 8.8115 8.8115 10.4126 10.4126 10.4211 10.4211 10.8768 10.8768 10.8883 10.8883 k = 0.2332 0.2333 0.3574 ( 6540 PWs) bands (ev): -19.3380 -19.3380 -19.3378 -19.3378 -17.0078 -17.0078 -17.0037 -17.0037 -16.7224 -16.7224 -16.7170 -16.7170 -16.6643 -16.6643 -16.6588 -16.6588 -7.4584 -7.4584 -7.4577 -7.4577 -5.3332 -5.3332 -5.3286 -5.3286 -4.5827 -4.5827 -4.5791 -4.5791 -4.4483 -4.4483 -4.4424 -4.4424 -1.9551 -1.9551 -1.9513 -1.9513 -1.7845 -1.7845 -1.7798 -1.7798 -1.3818 -1.3818 -1.3789 -1.3789 -0.9424 -0.9424 -0.9330 -0.9330 -0.8599 -0.8599 -0.8528 -0.8528 0.1847 0.1847 0.1918 0.1918 0.4415 0.4415 0.4495 0.4495 0.8151 0.8151 0.8155 0.8155 8.7446 8.7446 8.7457 8.7457 10.4289 10.4289 10.4378 10.4378 10.8718 10.8718 10.8835 10.8835 k = 0.2221 0.2222 0.3574 ( 6528 PWs) bands (ev): -19.3428 -19.3428 -19.3425 -19.3425 -17.0030 -17.0030 -16.9990 -16.9990 -16.7188 -16.7188 -16.7133 -16.7133 -16.6628 -16.6628 -16.6574 -16.6574 -7.4846 -7.4846 -7.4839 -7.4839 -5.3142 -5.3142 -5.3097 -5.3097 -4.5925 -4.5925 -4.5889 -4.5889 -4.4576 -4.4576 -4.4519 -4.4519 -1.9420 -1.9420 -1.9381 -1.9381 -1.7822 -1.7822 -1.7777 -1.7777 -1.3677 -1.3677 -1.3650 -1.3650 -0.9469 -0.9469 -0.9381 -0.9381 -0.8614 -0.8614 -0.8549 -0.8549 0.1967 0.1967 0.2041 0.2041 0.4503 0.4503 0.4586 0.4586 0.8152 0.8152 0.8156 0.8156 8.6808 8.6808 8.6817 8.6817 10.4458 10.4458 10.4549 10.4549 10.8646 10.8646 10.8762 10.8762 k = 0.2110 0.2111 0.3574 ( 6524 PWs) bands (ev): -19.3474 -19.3474 -19.3472 -19.3472 -16.9983 -16.9983 -16.9944 -16.9944 -16.7152 -16.7152 -16.7097 -16.7097 -16.6615 -16.6615 -16.6560 -16.6560 -7.5099 -7.5099 -7.5093 -7.5093 -5.2970 -5.2970 -5.2925 -5.2925 -4.6014 -4.6014 -4.5978 -4.5978 -4.4665 -4.4665 -4.4609 -4.4609 -1.9291 -1.9291 -1.9252 -1.9252 -1.7790 -1.7790 -1.7746 -1.7746 -1.3540 -1.3540 -1.3514 -1.3514 -0.9521 -0.9521 -0.9438 -0.9438 -0.8640 -0.8640 -0.8578 -0.8578 0.2095 0.2095 0.2173 0.2173 0.4595 0.4595 0.4682 0.4682 0.8145 0.8145 0.8149 0.8149 8.6191 8.6191 8.6198 8.6198 10.4630 10.4630 10.4723 10.4723 10.8552 10.8552 10.8664 10.8664 k = 0.1999 0.2000 0.3574 ( 6532 PWs) bands (ev): -19.3520 -19.3520 -19.3518 -19.3518 -16.9938 -16.9938 -16.9900 -16.9900 -16.7115 -16.7115 -16.7060 -16.7060 -16.6601 -16.6601 -16.6547 -16.6547 -7.5343 -7.5343 -7.5336 -7.5336 -5.2816 -5.2816 -5.2772 -5.2772 -4.6092 -4.6092 -4.6056 -4.6056 -4.4749 -4.4749 -4.4694 -4.4694 -1.9170 -1.9170 -1.9130 -1.9130 -1.7743 -1.7743 -1.7702 -1.7702 -1.3407 -1.3407 -1.3382 -1.3382 -0.9577 -0.9577 -0.9497 -0.9497 -0.8677 -0.8677 -0.8618 -0.8618 0.2230 0.2230 0.2312 0.2312 0.4691 0.4691 0.4781 0.4781 0.8128 0.8128 0.8134 0.8134 8.5595 8.5595 8.5602 8.5602 10.4802 10.4802 10.4896 10.4896 10.8439 10.8439 10.8545 10.8545 k = 0.1888 0.1889 0.3574 ( 6528 PWs) bands (ev): -19.3564 -19.3564 -19.3562 -19.3562 -16.9894 -16.9894 -16.9858 -16.9858 -16.7079 -16.7079 -16.7023 -16.7023 -16.6589 -16.6589 -16.6534 -16.6534 -7.5576 -7.5576 -7.5570 -7.5570 -5.2680 -5.2680 -5.2637 -5.2637 -4.6160 -4.6160 -4.6123 -4.6123 -4.4827 -4.4827 -4.4775 -4.4775 -1.9060 -1.9060 -1.9022 -1.9022 -1.7677 -1.7677 -1.7639 -1.7639 -1.3279 -1.3279 -1.3255 -1.3255 -0.9635 -0.9635 -0.9559 -0.9559 -0.8726 -0.8726 -0.8670 -0.8670 0.2370 0.2370 0.2455 0.2455 0.4790 0.4790 0.4883 0.4883 0.8104 0.8104 0.8112 0.8112 8.5024 8.5024 8.5030 8.5030 10.4973 10.4973 10.5067 10.5067 10.8309 10.8309 10.8407 10.8407 k = 0.1777 0.1778 0.3574 ( 6524 PWs) bands (ev): -19.3607 -19.3607 -19.3605 -19.3605 -16.9851 -16.9851 -16.9817 -16.9817 -16.7043 -16.7043 -16.6987 -16.6987 -16.6577 -16.6577 -16.6522 -16.6522 -7.5798 -7.5798 -7.5793 -7.5793 -5.2561 -5.2561 -5.2521 -5.2521 -4.6218 -4.6218 -4.6181 -4.6181 -4.4900 -4.4900 -4.4849 -4.4849 -1.8968 -1.8968 -1.8932 -1.8932 -1.7587 -1.7587 -1.7553 -1.7553 -1.3157 -1.3157 -1.3134 -1.3134 -0.9694 -0.9694 -0.9621 -0.9621 -0.8786 -0.8786 -0.8732 -0.8732 0.2513 0.2513 0.2601 0.2601 0.4892 0.4892 0.4988 0.4988 0.8073 0.8073 0.8084 0.8084 8.4478 8.4478 8.4483 8.4483 10.5139 10.5139 10.5232 10.5232 10.8166 10.8166 10.8255 10.8255 k = 0.1665 0.1667 0.3574 ( 6508 PWs) bands (ev): -19.3649 -19.3649 -19.3647 -19.3647 -16.9811 -16.9811 -16.9778 -16.9778 -16.7007 -16.7007 -16.6950 -16.6950 -16.6566 -16.6566 -16.6511 -16.6511 -7.6010 -7.6010 -7.6004 -7.6004 -5.2460 -5.2460 -5.2422 -5.2422 -4.6267 -4.6267 -4.6229 -4.6229 -4.4966 -4.4966 -4.4916 -4.4916 -1.8896 -1.8896 -1.8863 -1.8863 -1.7471 -1.7471 -1.7441 -1.7441 -1.3040 -1.3040 -1.3018 -1.3018 -0.9752 -0.9752 -0.9682 -0.9682 -0.8858 -0.8858 -0.8806 -0.8806 0.2657 0.2657 0.2748 0.2748 0.4996 0.4996 0.5095 0.5095 0.8036 0.8036 0.8049 0.8049 8.3959 8.3959 8.3963 8.3963 10.5298 10.5298 10.5388 10.5388 10.8016 10.8016 10.8093 10.8093 k = 0.1554 0.1556 0.3574 ( 6524 PWs) bands (ev): -19.3688 -19.3688 -19.3686 -19.3686 -16.9772 -16.9772 -16.9741 -16.9741 -16.6972 -16.6972 -16.6915 -16.6915 -16.6556 -16.6556 -16.6501 -16.6501 -7.6210 -7.6210 -7.6204 -7.6204 -5.2376 -5.2376 -5.2339 -5.2339 -4.6307 -4.6307 -4.6269 -4.6269 -4.5025 -4.5025 -4.4977 -4.4977 -1.8845 -1.8845 -1.8816 -1.8816 -1.7329 -1.7329 -1.7304 -1.7304 -1.2930 -1.2930 -1.2908 -1.2908 -0.9810 -0.9810 -0.9743 -0.9743 -0.8940 -0.8940 -0.8890 -0.8890 0.2801 0.2801 0.2894 0.2894 0.5101 0.5101 0.5202 0.5202 0.7992 0.7992 0.8008 0.8008 8.3467 8.3467 8.3471 8.3471 10.5445 10.5445 10.5531 10.5531 10.7864 10.7864 10.7929 10.7929 k = 0.1443 0.1444 0.3574 ( 6528 PWs) bands (ev): -19.3726 -19.3726 -19.3724 -19.3724 -16.9736 -16.9736 -16.9707 -16.9707 -16.6937 -16.6937 -16.6880 -16.6880 -16.6548 -16.6548 -16.6493 -16.6493 -7.6398 -7.6398 -7.6393 -7.6393 -5.2306 -5.2306 -5.2272 -5.2272 -4.6340 -4.6340 -4.6301 -4.6301 -4.5077 -4.5077 -4.5031 -4.5031 -1.8813 -1.8813 -1.8788 -1.8788 -1.7165 -1.7165 -1.7145 -1.7145 -1.2826 -1.2826 -1.2805 -1.2805 -0.9866 -0.9866 -0.9802 -0.9802 -0.9031 -0.9031 -0.8983 -0.8983 0.2942 0.2942 0.3038 0.3038 0.5207 0.5207 0.5311 0.5311 0.7943 0.7943 0.7962 0.7962 8.3004 8.3004 8.3008 8.3008 10.5576 10.5576 10.5657 10.5657 10.7716 10.7716 10.7767 10.7767 k = 0.1332 0.1333 0.3574 ( 6536 PWs) bands (ev): -19.3761 -19.3761 -19.3759 -19.3759 -16.9702 -16.9702 -16.9674 -16.9674 -16.6903 -16.6903 -16.6846 -16.6846 -16.6540 -16.6540 -16.6485 -16.6485 -7.6573 -7.6573 -7.6568 -7.6568 -5.2251 -5.2251 -5.2218 -5.2218 -4.6367 -4.6367 -4.6327 -4.6327 -4.5122 -4.5122 -4.5077 -4.5077 -1.8797 -1.8797 -1.8774 -1.8774 -1.6985 -1.6985 -1.6969 -1.6969 -1.2729 -1.2729 -1.2708 -1.2708 -0.9921 -0.9921 -0.9859 -0.9859 -0.9131 -0.9131 -0.9084 -0.9084 0.3080 0.3080 0.3177 0.3177 0.5314 0.5314 0.5419 0.5419 0.7890 0.7890 0.7911 0.7911 8.2572 8.2572 8.2575 8.2575 10.5686 10.5686 10.5764 10.5764 10.7579 10.7579 10.7617 10.7617 k = 0.1221 0.1222 0.3574 ( 6540 PWs) bands (ev): -19.3794 -19.3794 -19.3793 -19.3793 -16.9670 -16.9670 -16.9645 -16.9645 -16.6870 -16.6870 -16.6814 -16.6814 -16.6533 -16.6533 -16.6479 -16.6479 -7.6736 -7.6736 -7.6731 -7.6731 -5.2207 -5.2207 -5.2177 -5.2177 -4.6389 -4.6389 -4.6348 -4.6348 -4.5160 -4.5160 -4.5115 -4.5115 -1.8792 -1.8792 -1.8772 -1.8772 -1.6793 -1.6793 -1.6781 -1.6781 -1.2640 -1.2640 -1.2618 -1.2618 -0.9973 -0.9973 -0.9913 -0.9913 -0.9238 -0.9238 -0.9191 -0.9191 0.3212 0.3212 0.3311 0.3311 0.5420 0.5420 0.5526 0.5526 0.7833 0.7833 0.7857 0.7857 8.2170 8.2170 8.2172 8.2172 10.5768 10.5768 10.5846 10.5846 10.7455 10.7455 10.7488 10.7488 k = 0.1110 0.1111 0.3574 ( 6532 PWs) bands (ev): -19.3825 -19.3825 -19.3824 -19.3824 -16.9640 -16.9640 -16.9617 -16.9617 -16.6838 -16.6838 -16.6782 -16.6782 -16.6528 -16.6528 -16.6474 -16.6474 -7.6885 -7.6885 -7.6881 -7.6881 -5.2174 -5.2174 -5.2146 -5.2146 -4.6407 -4.6407 -4.6365 -4.6365 -4.5191 -4.5191 -4.5146 -4.5146 -1.8795 -1.8795 -1.8778 -1.8778 -1.6594 -1.6594 -1.6585 -1.6585 -1.2557 -1.2557 -1.2536 -1.2536 -1.0022 -1.0022 -0.9965 -0.9965 -0.9349 -0.9349 -0.9304 -0.9304 0.3338 0.3338 0.3437 0.3437 0.5525 0.5525 0.5632 0.5632 0.7773 0.7773 0.7799 0.7799 8.1800 8.1800 8.1802 8.1802 10.5816 10.5816 10.5903 10.5903 10.7347 10.7347 10.7393 10.7393 k = 0.0999 0.1000 0.3574 ( 6518 PWs) bands (ev): -19.3853 -19.3853 -19.3852 -19.3852 -16.9613 -16.9613 -16.9592 -16.9592 -16.6808 -16.6808 -16.6752 -16.6752 -16.6524 -16.6524 -16.6470 -16.6470 -7.7022 -7.7022 -7.7018 -7.7018 -5.2149 -5.2149 -5.2125 -5.2125 -4.6423 -4.6423 -4.6379 -4.6379 -4.5216 -4.5216 -4.5171 -4.5171 -1.8804 -1.8804 -1.8789 -1.8789 -1.6394 -1.6394 -1.6386 -1.6386 -1.2482 -1.2482 -1.2462 -1.2462 -1.0069 -1.0069 -1.0014 -1.0014 -0.9463 -0.9463 -0.9418 -0.9418 0.3456 0.3456 0.3555 0.3555 0.5627 0.5627 0.5734 0.5734 0.7710 0.7710 0.7740 0.7740 8.1463 8.1463 8.1465 8.1465 10.5828 10.5828 10.5930 10.5930 10.7264 10.7264 10.7330 10.7330 k = 0.0888 0.0889 0.3574 ( 6526 PWs) bands (ev): -19.3879 -19.3879 -19.3878 -19.3878 -16.9589 -16.9589 -16.9570 -16.9570 -16.6778 -16.6778 -16.6724 -16.6724 -16.6522 -16.6522 -16.6468 -16.6468 -7.7144 -7.7144 -7.7140 -7.7140 -5.2132 -5.2132 -5.2110 -5.2110 -4.6438 -4.6438 -4.6391 -4.6391 -4.5234 -4.5234 -4.5189 -4.5189 -1.8817 -1.8817 -1.8803 -1.8803 -1.6196 -1.6196 -1.6189 -1.6189 -1.2416 -1.2416 -1.2395 -1.2395 -1.0113 -1.0113 -1.0059 -1.0059 -0.9578 -0.9578 -0.9533 -0.9533 0.3565 0.3565 0.3664 0.3664 0.5727 0.5727 0.5833 0.5833 0.7647 0.7647 0.7679 0.7679 8.1159 8.1159 8.1161 8.1161 10.5810 10.5810 10.5928 10.5928 10.7209 10.7209 10.7296 10.7296 k = 0.0777 0.0778 0.3574 ( 6530 PWs) bands (ev): -19.3901 -19.3901 -19.3900 -19.3900 -16.9567 -16.9567 -16.9550 -16.9550 -16.6751 -16.6751 -16.6698 -16.6698 -16.6520 -16.6520 -16.6468 -16.6468 -7.7253 -7.7253 -7.7250 -7.7250 -5.2121 -5.2121 -5.2101 -5.2101 -4.6450 -4.6450 -4.6401 -4.6401 -4.5247 -4.5247 -4.5201 -4.5201 -1.8831 -1.8831 -1.8818 -1.8818 -1.6005 -1.6005 -1.5999 -1.5999 -1.2357 -1.2357 -1.2337 -1.2337 -1.0154 -1.0154 -1.0101 -1.0101 -0.9691 -0.9691 -0.9645 -0.9645 0.3664 0.3664 0.3762 0.3762 0.5823 0.5823 0.5927 0.5927 0.7584 0.7584 0.7617 0.7617 8.0890 8.0890 8.0892 8.0892 10.5769 10.5769 10.5900 10.5900 10.7181 10.7181 10.7284 10.7284 k = 0.0666 0.0667 0.3574 ( 6530 PWs) bands (ev): -19.3921 -19.3921 -19.3921 -19.3921 -16.9548 -16.9548 -16.9533 -16.9533 -16.6725 -16.6725 -16.6674 -16.6674 -16.6519 -16.6519 -16.6469 -16.6469 -7.7348 -7.7348 -7.7344 -7.7344 -5.2113 -5.2113 -5.2097 -5.2097 -4.6461 -4.6461 -4.6410 -4.6410 -4.5256 -4.5256 -4.5209 -4.5209 -1.8846 -1.8846 -1.8834 -1.8834 -1.5825 -1.5825 -1.5819 -1.5819 -1.2307 -1.2307 -1.2288 -1.2288 -1.0193 -1.0193 -1.0139 -1.0139 -0.9798 -0.9798 -0.9750 -0.9750 0.3752 0.3752 0.3849 0.3849 0.5914 0.5914 0.6014 0.6014 0.7522 0.7522 0.7556 0.7556 8.0655 8.0655 8.0657 8.0657 10.5714 10.5714 10.5855 10.5855 10.7174 10.7174 10.7287 10.7287 k = 0.0555 0.0556 0.3574 ( 6524 PWs) bands (ev): -19.3938 -19.3938 -19.3938 -19.3938 -16.9531 -16.9531 -16.9519 -16.9519 -16.6702 -16.6702 -16.6653 -16.6653 -16.6519 -16.6519 -16.6472 -16.6472 -7.7428 -7.7428 -7.7425 -7.7425 -5.2109 -5.2109 -5.2095 -5.2095 -4.6471 -4.6471 -4.6418 -4.6418 -4.5262 -4.5262 -4.5214 -4.5214 -1.8860 -1.8860 -1.8848 -1.8848 -1.5662 -1.5662 -1.5655 -1.5655 -1.2265 -1.2265 -1.2247 -1.2247 -1.0229 -1.0229 -1.0173 -1.0173 -0.9896 -0.9896 -0.9845 -0.9845 0.3828 0.3828 0.3924 0.3924 0.5998 0.5998 0.6094 0.6094 0.7463 0.7463 0.7498 0.7498 8.0456 8.0456 8.0457 8.0457 10.5655 10.5655 10.5803 10.5803 10.7180 10.7180 10.7298 10.7298 k = 0.0444 0.0444 0.3574 ( 6522 PWs) bands (ev): -19.3952 -19.3952 -19.3952 -19.3952 -16.9517 -16.9517 -16.9508 -16.9508 -16.6680 -16.6680 -16.6636 -16.6636 -16.6519 -16.6519 -16.6476 -16.6476 -7.7494 -7.7494 -7.7491 -7.7491 -5.2107 -5.2107 -5.2096 -5.2096 -4.6479 -4.6479 -4.6424 -4.6424 -4.5265 -4.5265 -4.5216 -4.5216 -1.8872 -1.8872 -1.8861 -1.8861 -1.5519 -1.5519 -1.5511 -1.5511 -1.2232 -1.2232 -1.2216 -1.2216 -1.0263 -1.0263 -1.0201 -1.0201 -0.9983 -0.9983 -0.9925 -0.9925 0.3892 0.3892 0.3986 0.3986 0.6073 0.6073 0.6164 0.6164 0.7410 0.7410 0.7444 0.7444 8.0292 8.0292 8.0293 8.0293 10.5600 10.5600 10.5750 10.5750 10.7192 10.7192 10.7312 10.7312 k = 0.0333 0.0333 0.3574 ( 6536 PWs) bands (ev): -19.3963 -19.3963 -19.3963 -19.3963 -16.9506 -16.9506 -16.9499 -16.9499 -16.6661 -16.6661 -16.6623 -16.6623 -16.6518 -16.6518 -16.6481 -16.6481 -7.7546 -7.7546 -7.7543 -7.7543 -5.2106 -5.2106 -5.2097 -5.2097 -4.6486 -4.6486 -4.6430 -4.6430 -4.5266 -4.5266 -4.5217 -4.5217 -1.8883 -1.8883 -1.8872 -1.8872 -1.5402 -1.5402 -1.5393 -1.5393 -1.2206 -1.2206 -1.2192 -1.2192 -1.0294 -1.0294 -1.0224 -1.0224 -1.0053 -1.0053 -0.9989 -0.9989 0.3942 0.3942 0.4035 0.4035 0.6137 0.6137 0.6222 0.6222 0.7365 0.7365 0.7396 0.7396 8.0164 8.0164 8.0165 8.0165 10.5552 10.5552 10.5704 10.5704 10.7205 10.7205 10.7326 10.7326 k = 0.0222 0.0222 0.3574 ( 6540 PWs) bands (ev): -19.3971 -19.3971 -19.3971 -19.3971 -16.9498 -16.9498 -16.9493 -16.9493 -16.6644 -16.6644 -16.6616 -16.6616 -16.6516 -16.6516 -16.6488 -16.6488 -7.7583 -7.7583 -7.7580 -7.7580 -5.2105 -5.2105 -5.2099 -5.2099 -4.6491 -4.6491 -4.6434 -4.6434 -4.5267 -4.5267 -4.5217 -4.5217 -1.8890 -1.8890 -1.8880 -1.8880 -1.5314 -1.5314 -1.5305 -1.5305 -1.2188 -1.2188 -1.2176 -1.2176 -1.0319 -1.0319 -1.0242 -1.0242 -1.0105 -1.0105 -1.0034 -1.0034 0.3978 0.3978 0.4070 0.4070 0.6188 0.6188 0.6265 0.6265 0.7331 0.7331 0.7357 0.7357 8.0073 8.0073 8.0073 8.0073 10.5515 10.5515 10.5669 10.5669 10.7217 10.7217 10.7338 10.7338 k = 0.0111 0.0111 0.3574 ( 6548 PWs) bands (ev): -19.3976 -19.3976 -19.3975 -19.3975 -16.9493 -16.9493 -16.9490 -16.9490 -16.6630 -16.6630 -16.6615 -16.6615 -16.6511 -16.6511 -16.6496 -16.6496 -7.7605 -7.7605 -7.7602 -7.7602 -5.2105 -5.2105 -5.2101 -5.2101 -4.6494 -4.6494 -4.6436 -4.6436 -4.5267 -4.5267 -4.5217 -4.5217 -1.8895 -1.8895 -1.8885 -1.8885 -1.5259 -1.5259 -1.5250 -1.5250 -1.2178 -1.2178 -1.2167 -1.2167 -1.0336 -1.0336 -1.0254 -1.0254 -1.0137 -1.0137 -1.0060 -1.0060 0.4000 0.4000 0.4091 0.4091 0.6220 0.6220 0.6292 0.6292 0.7310 0.7310 0.7332 0.7332 8.0018 8.0018 8.0018 8.0018 10.5492 10.5492 10.5646 10.5646 10.7224 10.7224 10.7345 10.7345 k = 0.0000 0.0000 0.3574 ( 6564 PWs) bands (ev): -19.3977 -19.3977 -19.3977 -19.3977 -16.9490 -16.9490 -16.9490 -16.9490 -16.6621 -16.6621 -16.6620 -16.6620 -16.6504 -16.6504 -16.6503 -16.6503 -7.7612 -7.7612 -7.7609 -7.7609 -5.2105 -5.2105 -5.2101 -5.2101 -4.6495 -4.6495 -4.6437 -4.6437 -4.5267 -4.5267 -4.5217 -4.5217 -1.8897 -1.8897 -1.8887 -1.8887 -1.5241 -1.5241 -1.5232 -1.5232 -1.2174 -1.2174 -1.2164 -1.2164 -1.0342 -1.0342 -1.0258 -1.0258 -1.0147 -1.0147 -1.0069 -1.0069 0.4007 0.4007 0.4098 0.4098 0.6231 0.6231 0.6301 0.6301 0.7303 0.7303 0.7322 0.7322 8.0000 8.0000 8.0000 8.0000 10.5484 10.5484 10.5639 10.5639 10.7226 10.7226 10.7347 10.7347 k = 0.0000 0.0000 0.3574 ( 6564 PWs) bands (ev): -19.3977 -19.3977 -19.3977 -19.3977 -16.9490 -16.9490 -16.9490 -16.9490 -16.6621 -16.6621 -16.6620 -16.6620 -16.6504 -16.6504 -16.6503 -16.6503 -7.7612 -7.7612 -7.7609 -7.7609 -5.2105 -5.2105 -5.2101 -5.2101 -4.6495 -4.6495 -4.6437 -4.6437 -4.5267 -4.5267 -4.5217 -4.5217 -1.8897 -1.8897 -1.8887 -1.8887 -1.5241 -1.5241 -1.5232 -1.5232 -1.2174 -1.2174 -1.2164 -1.2164 -1.0342 -1.0342 -1.0258 -1.0258 -1.0147 -1.0147 -1.0069 -1.0069 0.4007 0.4007 0.4098 0.4098 0.6231 0.6231 0.6301 0.6301 0.7303 0.7303 0.7322 0.7322 8.0000 8.0000 8.0000 8.0000 10.5484 10.5484 10.5639 10.5639 10.7226 10.7226 10.7347 10.7347 k = 0.0000 0.0000 0.3419 ( 6569 PWs) bands (ev): -19.4057 -19.4057 -19.3896 -19.3896 -16.9632 -16.9632 -16.9349 -16.9349 -16.6622 -16.6621 -16.6620 -16.6619 -16.6509 -16.6507 -16.6499 -16.6499 -7.8042 -7.8039 -7.7171 -7.7169 -5.2391 -5.2388 -5.1830 -5.1827 -4.6638 -4.6578 -4.6349 -4.6293 -4.5437 -4.5385 -4.5096 -4.5048 -1.8915 -1.8903 -1.8884 -1.8876 -1.5534 -1.5524 -1.4950 -1.4941 -1.2333 -1.2325 -1.2011 -1.1998 -1.0481 -1.0363 -1.0284 -1.0208 -1.0156 -1.0139 -1.0021 -0.9973 0.3777 0.3865 0.4239 0.4333 0.6168 0.6230 0.6236 0.6294 0.7205 0.7248 0.7462 0.7467 7.9137 7.9137 8.0877 8.0877 10.5086 10.5245 10.5865 10.6013 10.7169 10.7290 10.7296 10.7405 k = 0.0000 0.0000 0.3263 ( 6557 PWs) bands (ev): -19.4136 -19.4136 -19.3815 -19.3815 -16.9774 -16.9774 -16.9210 -16.9210 -16.6623 -16.6621 -16.6619 -16.6617 -16.6514 -16.6511 -16.6495 -16.6494 -7.8460 -7.8457 -7.6721 -7.6718 -5.2690 -5.2686 -5.1568 -5.1566 -4.6776 -4.6716 -4.6201 -4.6146 -4.5606 -4.5551 -4.4925 -4.4878 -1.8938 -1.8925 -1.8878 -1.8871 -1.5827 -1.5816 -1.4664 -1.4657 -1.2485 -1.2480 -1.1842 -1.1828 -1.0615 -1.0485 -1.0380 -1.0258 -1.0054 -1.0045 -0.9883 -0.9876 0.3550 0.3635 0.4471 0.4568 0.6044 0.6097 0.6177 0.6241 0.7183 0.7247 0.7656 0.7659 7.8293 7.8293 8.1766 8.1766 10.4678 10.4840 10.6219 10.6358 10.7115 10.7248 10.7365 10.7471 k = 0.0000 0.0000 0.3108 ( 6549 PWs) bands (ev): -19.4214 -19.4214 -19.3734 -19.3734 -16.9915 -16.9915 -16.9073 -16.9073 -16.6623 -16.6621 -16.6617 -16.6615 -16.6519 -16.6515 -16.6490 -16.6489 -7.8864 -7.8862 -7.6261 -7.6258 -5.3000 -5.2996 -5.1319 -5.1317 -4.6911 -4.6849 -4.6052 -4.5998 -4.5771 -4.5715 -4.4754 -4.4710 -1.8966 -1.8951 -1.8877 -1.8873 -1.6116 -1.6105 -1.4389 -1.4384 -1.2630 -1.2628 -1.1671 -1.1654 -1.0741 -1.0609 -1.0466 -1.0344 -0.9949 -0.9912 -0.9777 -0.9742 0.3326 0.3409 0.4700 0.4799 0.5869 0.5908 0.6097 0.6162 0.7220 0.7301 0.7867 0.7873 7.7468 7.7468 8.2664 8.2664 10.4269 10.4432 10.6539 10.6663 10.7059 10.7199 10.7454 10.7550 k = 0.0000 0.0000 0.2953 ( 6553 PWs) bands (ev): -19.4289 -19.4289 -19.3653 -19.3653 -17.0056 -17.0056 -16.8938 -16.8938 -16.6623 -16.6621 -16.6616 -16.6612 -16.6524 -16.6518 -16.6486 -16.6485 -7.9255 -7.9252 -7.5794 -7.5790 -5.3322 -5.3317 -5.1082 -5.1081 -4.7040 -4.6978 -4.5938 -4.5921 -4.5857 -4.5844 -4.4585 -4.4543 -1.8998 -1.8982 -1.8883 -1.8880 -1.6400 -1.6389 -1.4131 -1.4130 -1.2767 -1.2766 -1.1497 -1.1477 -1.0856 -1.0727 -1.0542 -1.0424 -0.9853 -0.9771 -0.9680 -0.9604 0.3108 0.3187 0.4917 0.5016 0.5671 0.5698 0.6006 0.6072 0.7294 0.7384 0.8087 0.8095 7.6666 7.6666 8.3568 8.3568 10.3864 10.4029 10.6815 10.6920 10.6998 10.7147 10.7561 10.7640 k = 0.0000 0.0000 0.2797 ( 6541 PWs) bands (ev): -19.4363 -19.4363 -19.3573 -19.3573 -17.0194 -17.0194 -16.8808 -16.8807 -16.6622 -16.6621 -16.6613 -16.6609 -16.6529 -16.6522 -16.6482 -16.6480 -7.9630 -7.9628 -7.5320 -7.5316 -5.3653 -5.3648 -5.0858 -5.0857 -4.7164 -4.7101 -4.6096 -4.6041 -4.5743 -4.5696 -4.4418 -4.4378 -1.9033 -1.9017 -1.8894 -1.8893 -1.6677 -1.6665 -1.3902 -1.3899 -1.2894 -1.2890 -1.1322 -1.1298 -1.0954 -1.0834 -1.0607 -1.0496 -0.9758 -0.9632 -0.9583 -0.9467 0.2896 0.2972 0.5081 0.5162 0.5523 0.5523 0.5911 0.5977 0.7388 0.7483 0.8309 0.8316 7.5889 7.5889 8.4474 8.4474 10.3470 10.3635 10.6923 10.7030 10.7101 10.7131 10.7680 10.7740 k = 0.0000 0.0000 0.2642 ( 6537 PWs) bands (ev): -19.4434 -19.4434 -19.3494 -19.3493 -17.0330 -17.0329 -16.8681 -16.8681 -16.6622 -16.6620 -16.6611 -16.6605 -16.6533 -16.6525 -16.6478 -16.6476 -7.9991 -7.9989 -7.4841 -7.4837 -5.3995 -5.3989 -5.0646 -5.0646 -4.7282 -4.7219 -4.6251 -4.6193 -4.5594 -4.5547 -4.4254 -4.4216 -1.9072 -1.9054 -1.8912 -1.8912 -1.6945 -1.6933 -1.3716 -1.3704 -1.3005 -1.2995 -1.1149 -1.1119 -1.1028 -1.0923 -1.0659 -1.0558 -0.9664 -0.9499 -0.9486 -0.9333 0.2690 0.2762 0.5038 0.5061 0.5543 0.5605 0.5819 0.5881 0.7491 0.7590 0.8527 0.8535 7.5139 7.5139 8.5378 8.5378 10.3093 10.3257 10.6831 10.6991 10.7253 10.7301 10.7801 10.7842 k = 0.0000 0.0000 0.2486 ( 6529 PWs) bands (ev): -19.4503 -19.4503 -19.3416 -19.3416 -17.0462 -17.0462 -16.8559 -16.8559 -16.6621 -16.6620 -16.6608 -16.6601 -16.6538 -16.6527 -16.6474 -16.6471 -8.0334 -8.0333 -7.4359 -7.4355 -5.4345 -5.4338 -5.0448 -5.0448 -4.7394 -4.7330 -4.6401 -4.6342 -4.5444 -4.5400 -4.4095 -4.4059 -1.9113 -1.9094 -1.8937 -1.8934 -1.7203 -1.7191 -1.3590 -1.3570 -1.3086 -1.3072 -1.1091 -1.0996 -1.0964 -1.0937 -1.0690 -1.0603 -0.9573 -0.9399 -0.9361 -0.9204 0.2491 0.2560 0.4829 0.4835 0.5714 0.5722 0.5788 0.5817 0.7599 0.7700 0.8741 0.8748 7.4418 7.4418 8.6277 8.6277 10.2738 10.2902 10.6713 10.6885 10.7414 10.7447 10.7907 10.7936 k = 0.0000 0.0000 0.2331 ( 6535 PWs) bands (ev): -19.4569 -19.4569 -19.3341 -19.3340 -17.0590 -17.0590 -16.8443 -16.8442 -16.6620 -16.6619 -16.6606 -16.6596 -16.6542 -16.6529 -16.6470 -16.6467 -8.0661 -8.0660 -7.3875 -7.3871 -5.4702 -5.4696 -5.0262 -5.0262 -4.7499 -4.7435 -4.6546 -4.6486 -4.5297 -4.5254 -4.3940 -4.3906 -1.9156 -1.9136 -1.8966 -1.8962 -1.7450 -1.7438 -1.3545 -1.3520 -1.3120 -1.3108 -1.1115 -1.1048 -1.0798 -1.0761 -1.0693 -1.0622 -0.9485 -0.9310 -0.9232 -0.9079 0.2300 0.2365 0.4585 0.4587 0.5631 0.5694 0.5933 0.6027 0.7708 0.7811 0.8946 0.8954 7.3728 7.3728 8.7164 8.7165 10.2411 10.2573 10.6561 10.6745 10.7556 10.7581 10.7988 10.8015 k = 0.0000 0.0000 0.2176 ( 6547 PWs) bands (ev): -19.4631 -19.4631 -19.3267 -19.3267 -17.0714 -17.0714 -16.8333 -16.8332 -16.6619 -16.6618 -16.6603 -16.6590 -16.6546 -16.6530 -16.6466 -16.6463 -8.0970 -8.0969 -7.3392 -7.3388 -5.5065 -5.5059 -5.0089 -5.0088 -4.7597 -4.7533 -4.6685 -4.6625 -4.5153 -4.5112 -4.3791 -4.3759 -1.9199 -1.9179 -1.9000 -1.8994 -1.7685 -1.7673 -1.3570 -1.3549 -1.3117 -1.3116 -1.1124 -1.1089 -1.0663 -1.0662 -1.0583 -1.0576 -0.9399 -0.9226 -0.9107 -0.8959 0.2118 0.2179 0.4335 0.4336 0.5546 0.5606 0.6146 0.6242 0.7816 0.7919 0.9143 0.9150 7.3072 7.3072 8.8035 8.8036 10.2117 10.2276 10.6370 10.6561 10.7681 10.7708 10.8042 10.8076 k = 0.0000 0.0000 0.2020 ( 6539 PWs) bands (ev): -19.4691 -19.4690 -19.3197 -19.3197 -17.0833 -17.0833 -16.8229 -16.8228 -16.6618 -16.6617 -16.6600 -16.6584 -16.6549 -16.6530 -16.6462 -16.6460 -8.1261 -8.1259 -7.2911 -7.2907 -5.5433 -5.5426 -4.9927 -4.9927 -4.7688 -4.7624 -4.6818 -4.6757 -4.5013 -4.4974 -4.3648 -4.3618 -1.9243 -1.9222 -1.9037 -1.9030 -1.7907 -1.7895 -1.3630 -1.3614 -1.3130 -1.3118 -1.1131 -1.1125 -1.0586 -1.0583 -1.0432 -1.0411 -0.9318 -0.9147 -0.8985 -0.8844 0.1944 0.2001 0.4085 0.4086 0.5466 0.5522 0.6356 0.6452 0.7920 0.8024 0.9331 0.9337 7.2451 7.2451 8.8883 8.8885 10.1862 10.2018 10.6135 10.6331 10.7787 10.7828 10.8073 10.8127 k = 0.0000 0.0000 0.1865 ( 6541 PWs) bands (ev): -19.4746 -19.4746 -19.3130 -19.3130 -17.0945 -17.0945 -16.8131 -16.8131 -16.6617 -16.6616 -16.6597 -16.6579 -16.6550 -16.6529 -16.6459 -16.6456 -8.1532 -8.1531 -7.2435 -7.2431 -5.5802 -5.5796 -4.9779 -4.9778 -4.7771 -4.7707 -4.6944 -4.6883 -4.4878 -4.4842 -4.3512 -4.3485 -1.9287 -1.9265 -1.9078 -1.9068 -1.8115 -1.8103 -1.3701 -1.3688 -1.3165 -1.3143 -1.1159 -1.1145 -1.0481 -1.0472 -1.0271 -1.0244 -0.9241 -0.9073 -0.8867 -0.8734 0.1781 0.1833 0.3841 0.3842 0.5390 0.5442 0.6559 0.6656 0.8020 0.8123 0.9507 0.9513 7.1868 7.1868 8.9701 8.9703 10.1652 10.1804 10.5861 10.6057 10.7859 10.7928 10.8097 10.8185 k = 0.0000 0.0000 0.1709 ( 6533 PWs) bands (ev): -19.4798 -19.4798 -19.3066 -19.3066 -17.1052 -17.1051 -16.8042 -16.8041 -16.6616 -16.6615 -16.6594 -16.6575 -16.6550 -16.6527 -16.6456 -16.6453 -8.1784 -8.1783 -7.1967 -7.1962 -5.6172 -5.6165 -4.9642 -4.9641 -4.7846 -4.7784 -4.7062 -4.7002 -4.4749 -4.4715 -4.3385 -4.3359 -1.9330 -1.9307 -1.9119 -1.9108 -1.8309 -1.8297 -1.3771 -1.3762 -1.3222 -1.3192 -1.1191 -1.1165 -1.0348 -1.0331 -1.0113 -1.0084 -0.9168 -0.9005 -0.8754 -0.8629 0.1627 0.1676 0.3605 0.3606 0.5320 0.5369 0.6755 0.6851 0.8115 0.8217 0.9672 0.9678 7.1324 7.1324 9.0480 9.0483 10.1493 10.1641 10.5559 10.5749 10.7879 10.7967 10.8064 10.8085 k = 0.0000 0.0000 0.1554 ( 6545 PWs) bands (ev): -19.4846 -19.4846 -19.3007 -19.3007 -17.1151 -17.1150 -16.7959 -16.7959 -16.6615 -16.6614 -16.6592 -16.6573 -16.6546 -16.6524 -16.6453 -16.6450 -8.2016 -8.2015 -7.1509 -7.1505 -5.6538 -5.6531 -4.9518 -4.9517 -4.7914 -4.7853 -4.7173 -4.7114 -4.4627 -4.4596 -4.3266 -4.3242 -1.9371 -1.9347 -1.9162 -1.9150 -1.8488 -1.8476 -1.3836 -1.3831 -1.3293 -1.3259 -1.1221 -1.1191 -1.0196 -1.0174 -0.9961 -0.9931 -0.9100 -0.8943 -0.8646 -0.8531 0.1484 0.1528 0.3379 0.3380 0.5256 0.5300 0.6940 0.7035 0.8203 0.8303 0.9825 0.9830 7.0821 7.0821 9.1211 9.1215 10.1393 10.1535 10.5241 10.5422 10.7756 10.7799 10.7918 10.7950 k = 0.0000 0.0000 0.1399 ( 6541 PWs) bands (ev): -19.4890 -19.4890 -19.2952 -19.2952 -17.1242 -17.1242 -16.7885 -16.7884 -16.6614 -16.6613 -16.6591 -16.6574 -16.6539 -16.6520 -16.6450 -16.6447 -8.2227 -8.2226 -7.1067 -7.1063 -5.6897 -5.6890 -4.9405 -4.9405 -4.7973 -4.7914 -4.7275 -4.7218 -4.4513 -4.4485 -4.3156 -4.3135 -1.9409 -1.9385 -1.9205 -1.9191 -1.8651 -1.8640 -1.3895 -1.3892 -1.3375 -1.3337 -1.1249 -1.1217 -1.0039 -1.0012 -0.9816 -0.9788 -0.9036 -0.8886 -0.8543 -0.8438 0.1352 0.1392 0.3165 0.3166 0.5198 0.5238 0.7115 0.7208 0.8283 0.8381 0.9965 0.9969 7.0360 7.0360 9.1884 9.1889 10.1359 10.1495 10.4922 10.5092 10.7497 10.7521 10.7872 10.7909 k = 0.0000 0.0000 0.1243 ( 6529 PWs) bands (ev): -19.4930 -19.4930 -19.2902 -19.2901 -17.1325 -17.1325 -16.7819 -16.7818 -16.6613 -16.6612 -16.6589 -16.6575 -16.6531 -16.6514 -16.6447 -16.6445 -8.2417 -8.2416 -7.0643 -7.0639 -5.7245 -5.7239 -4.9305 -4.9304 -4.8024 -4.7968 -4.7369 -4.7314 -4.4408 -4.4382 -4.3056 -4.3037 -1.9445 -1.9419 -1.9247 -1.9231 -1.8798 -1.8788 -1.3945 -1.3945 -1.3460 -1.3422 -1.1274 -1.1243 -0.9885 -0.9851 -0.9679 -0.9655 -0.8977 -0.8837 -0.8446 -0.8352 0.1232 0.1268 0.2967 0.2967 0.5145 0.5181 0.7277 0.7367 0.8356 0.8450 1.0091 1.0095 6.9944 6.9944 9.2489 9.2496 10.1397 10.1527 10.4614 10.4773 10.7222 10.7238 10.7828 10.7859 k = 0.0000 0.0000 0.1088 ( 6521 PWs) bands (ev): -19.4965 -19.4965 -19.2856 -19.2856 -17.1400 -17.1400 -16.7761 -16.7760 -16.6613 -16.6611 -16.6588 -16.6577 -16.6522 -16.6508 -16.6445 -16.6443 -8.2586 -8.2585 -7.0244 -7.0241 -5.7577 -5.7571 -4.9216 -4.9216 -4.8068 -4.8015 -4.7453 -4.7401 -4.4312 -4.4290 -4.2966 -4.2950 -1.9477 -1.9451 -1.9286 -1.9268 -1.8929 -1.8920 -1.3988 -1.3987 -1.3547 -1.3509 -1.1295 -1.1267 -0.9742 -0.9701 -0.9549 -0.9534 -0.8924 -0.8795 -0.8355 -0.8273 0.1125 0.1157 0.2784 0.2785 0.5099 0.5131 0.7427 0.7512 0.8420 0.8509 1.0204 1.0208 6.9572 6.9572 9.3017 9.3025 10.1511 10.1634 10.4328 10.4476 10.6929 10.6939 10.7779 10.7805 k = 0.0000 0.0000 0.0932 ( 6521 PWs) bands (ev): -19.4996 -19.4996 -19.2816 -19.2816 -17.1465 -17.1465 -16.7711 -16.7710 -16.6612 -16.6611 -16.6588 -16.6579 -16.6513 -16.6502 -16.6443 -16.6441 -8.2733 -8.2732 -6.9876 -6.9872 -5.7887 -5.7882 -4.9140 -4.9140 -4.8104 -4.8055 -4.7527 -4.7479 -4.4228 -4.4208 -4.2887 -4.2873 -1.9505 -1.9479 -1.9323 -1.9303 -1.9044 -1.9036 -1.4023 -1.4019 -1.3630 -1.3594 -1.1313 -1.1288 -0.9616 -0.9567 -0.9429 -0.9425 -0.8875 -0.8760 -0.8273 -0.8203 0.1030 0.1058 0.2621 0.2622 0.5060 0.5087 0.7561 0.7641 0.8475 0.8559 1.0303 1.0306 6.9248 6.9248 9.3463 9.3473 10.1700 10.1818 10.4071 10.4209 10.6614 10.6620 10.7731 10.7752 k = 0.0000 0.0000 0.0777 ( 6533 PWs) bands (ev): -19.5022 -19.5022 -19.2782 -19.2782 -17.1522 -17.1521 -16.7669 -16.7668 -16.6612 -16.6610 -16.6587 -16.6580 -16.6504 -16.6495 -16.6441 -16.6439 -8.2858 -8.2857 -6.9544 -6.9541 -5.8168 -5.8164 -4.9075 -4.9075 -4.8132 -4.8088 -4.7591 -4.7548 -4.4154 -4.4138 -4.2820 -4.2808 -1.9528 -1.9502 -1.9355 -1.9333 -1.9142 -1.9137 -1.4047 -1.4041 -1.3709 -1.3676 -1.1328 -1.1306 -0.9508 -0.9454 -0.9327 -0.9320 -0.8831 -0.8731 -0.8199 -0.8141 0.0950 0.0973 0.2479 0.2479 0.5026 0.5049 0.7680 0.7753 0.8523 0.8598 1.0387 1.0389 6.8972 6.8972 9.3827 9.3837 10.1960 10.2073 10.3849 10.3980 10.6273 10.6275 10.7686 10.7703 k = 0.0000 0.0000 0.0622 ( 6537 PWs) bands (ev): -19.5043 -19.5043 -19.2754 -19.2754 -17.1568 -17.1568 -16.7635 -16.7634 -16.6611 -16.6610 -16.6587 -16.6582 -16.6496 -16.6490 -16.6439 -16.6438 -8.2960 -8.2960 -6.9258 -6.9255 -5.8414 -5.8410 -4.9023 -4.9022 -4.8153 -4.8116 -4.7643 -4.7606 -4.4093 -4.4080 -4.2764 -4.2754 -1.9546 -1.9521 -1.9383 -1.9359 -1.9224 -1.9221 -1.4062 -1.4054 -1.3781 -1.3750 -1.1340 -1.1322 -0.9420 -0.9365 -0.9241 -0.9226 -0.8791 -0.8710 -0.8135 -0.8089 0.0883 0.0902 0.2360 0.2360 0.4999 0.5018 0.7783 0.7845 0.8562 0.8627 1.0456 1.0458 6.8744 6.8744 9.4110 9.4120 10.2275 10.2388 10.3671 10.3798 10.5904 10.5904 10.7646 10.7659 k = 0.0000 0.0000 0.0466 ( 6549 PWs) bands (ev): -19.5060 -19.5060 -19.2731 -19.2731 -17.1604 -17.1604 -16.7608 -16.7608 -16.6611 -16.6610 -16.6587 -16.6583 -16.6490 -16.6485 -16.6438 -16.6437 -8.3040 -8.3040 -6.9024 -6.9021 -5.8616 -5.8613 -4.8982 -4.8982 -4.8167 -4.8138 -4.7683 -4.7654 -4.4045 -4.4034 -4.2720 -4.2713 -1.9559 -1.9537 -1.9404 -1.9378 -1.9290 -1.9288 -1.4067 -1.4057 -1.3844 -1.3817 -1.1348 -1.1335 -0.9350 -0.9302 -0.9167 -0.9151 -0.8758 -0.8696 -0.8082 -0.8048 0.0832 0.0845 0.2265 0.2265 0.4979 0.4992 0.7866 0.7917 0.8594 0.8646 1.0510 1.0512 6.8566 6.8566 9.4319 9.4328 10.2617 10.2736 10.3552 10.3682 10.5508 10.5509 10.7614 10.7624 k = 0.0000 0.0000 0.0311 ( 6561 PWs) bands (ev): -19.5072 -19.5072 -19.2715 -19.2715 -17.1630 -17.1630 -16.7590 -16.7589 -16.6611 -16.6610 -16.6586 -16.6584 -16.6485 -16.6481 -16.6437 -16.6437 -8.3098 -8.3097 -6.8849 -6.8848 -5.8767 -5.8765 -4.8952 -4.8952 -4.8175 -4.8155 -4.7711 -4.7690 -4.4009 -4.4002 -4.2688 -4.2683 -1.9566 -1.9548 -1.9417 -1.9391 -1.9343 -1.9335 -1.4064 -1.4053 -1.3896 -1.3873 -1.1353 -1.1344 -0.9297 -0.9263 -0.9109 -0.9096 -0.8731 -0.8690 -0.8042 -0.8020 0.0795 0.0804 0.2196 0.2196 0.4965 0.4974 0.7931 0.7966 0.8619 0.8655 1.0549 1.0550 6.8439 6.8439 9.4462 9.4468 10.2924 10.3038 10.3555 10.3679 10.5091 10.5092 10.7590 10.7597 k = 0.0000 0.0000 0.0155 ( 6561 PWs) bands (ev): -19.5080 -19.5080 -19.2706 -19.2706 -17.1646 -17.1646 -16.7578 -16.7578 -16.6611 -16.6610 -16.6586 -16.6585 -16.6481 -16.6480 -16.6437 -16.6436 -8.3132 -8.3132 -6.8742 -6.8741 -5.8860 -5.8859 -4.8935 -4.8935 -4.8178 -4.8167 -4.7725 -4.7715 -4.3987 -4.3983 -4.2668 -4.2666 -1.9567 -1.9558 -1.9420 -1.9398 -1.9378 -1.9367 -1.4054 -1.4045 -1.3931 -1.3917 -1.1355 -1.1351 -0.9262 -0.9244 -0.9072 -0.9064 -0.8710 -0.8689 -0.8016 -0.8005 0.0774 0.0778 0.2154 0.2154 0.4957 0.4962 0.7974 0.7992 0.8638 0.8657 1.0572 1.0573 6.8362 6.8362 9.4545 9.4548 10.3093 10.3147 10.3812 10.3877 10.4660 10.4667 10.7576 10.7580 k = 0.0000 0.0000 0.0000 ( 6553 PWs) bands (ev): -19.5082 -19.5082 -19.2703 -19.2703 -17.1651 -17.1651 -16.7575 -16.7575 -16.6610 -16.6610 -16.6585 -16.6585 -16.6479 -16.6479 -16.6436 -16.6436 -8.3143 -8.3143 -6.8705 -6.8705 -5.8891 -5.8891 -4.8929 -4.8929 -4.8175 -4.8175 -4.7726 -4.7726 -4.3978 -4.3978 -4.2661 -4.2661 -1.9564 -1.9564 -1.9412 -1.9412 -1.9383 -1.9383 -1.4044 -1.4044 -1.3939 -1.3939 -1.1355 -1.1355 -0.9244 -0.9244 -0.9056 -0.9056 -0.8696 -0.8696 -0.8003 -0.8003 0.0768 0.0768 0.2140 0.2140 0.4956 0.4956 0.7995 0.7995 0.8651 0.8651 1.0580 1.0580 6.8336 6.8336 9.4573 9.4573 10.3143 10.3143 10.4174 10.4174 10.4291 10.4291 10.7573 10.7573 k = 0.0000 0.0000 0.0000 ( 6553 PWs) bands (ev): -19.5082 -19.5082 -19.2703 -19.2703 -17.1651 -17.1651 -16.7575 -16.7575 -16.6610 -16.6610 -16.6585 -16.6585 -16.6479 -16.6479 -16.6436 -16.6436 -8.3143 -8.3143 -6.8705 -6.8705 -5.8891 -5.8891 -4.8929 -4.8929 -4.8175 -4.8175 -4.7726 -4.7726 -4.3978 -4.3978 -4.2661 -4.2661 -1.9564 -1.9564 -1.9412 -1.9412 -1.9383 -1.9383 -1.4044 -1.4044 -1.3939 -1.3939 -1.1355 -1.1355 -0.9244 -0.9244 -0.9056 -0.9056 -0.8696 -0.8696 -0.8003 -0.8003 0.0768 0.0768 0.2140 0.2140 0.4956 0.4956 0.7995 0.7995 0.8651 0.8651 1.0580 1.0580 6.8336 6.8336 9.4573 9.4573 10.3143 10.3143 10.4174 10.4174 10.4291 10.4291 10.7573 10.7573 k =-0.0111 0.0111 0.0000 ( 6557 PWs) bands (ev): -19.5079 -19.5079 -19.2703 -19.2702 -17.1652 -17.1649 -16.7575 -16.7575 -16.6617 -16.6607 -16.6588 -16.6585 -16.6481 -16.6478 -16.6441 -16.6441 -8.3132 -8.3132 -6.8705 -6.8704 -5.8894 -5.8888 -4.8928 -4.8919 -4.8173 -4.8164 -4.7734 -4.7733 -4.3983 -4.3979 -4.2661 -4.2660 -1.9627 -1.9585 -1.9519 -1.9516 -1.9249 -1.9218 -1.4045 -1.4045 -1.3943 -1.3934 -1.1354 -1.1351 -0.9249 -0.9245 -0.9060 -0.9056 -0.8703 -0.8696 -0.8014 -0.8012 0.0769 0.0773 0.2142 0.2143 0.4949 0.4953 0.7990 0.7990 0.8645 0.8646 1.0574 1.0574 6.8362 6.8362 9.4576 9.4576 10.3151 10.3159 10.4167 10.4167 10.4288 10.4296 10.7575 10.7580 k =-0.0222 0.0222 0.0000 ( 6557 PWs) bands (ev): -19.5071 -19.5071 -19.2702 -19.2702 -17.1651 -17.1645 -16.7576 -16.7576 -16.6625 -16.6605 -16.6592 -16.6585 -16.6484 -16.6478 -16.6455 -16.6454 -8.3097 -8.3097 -6.8704 -6.8701 -5.8895 -5.8884 -4.8915 -4.8898 -4.8159 -4.8142 -4.7755 -4.7755 -4.3994 -4.3985 -4.2659 -4.2659 -1.9781 -1.9735 -1.9532 -1.9519 -1.9085 -1.9054 -1.4048 -1.4048 -1.3943 -1.3925 -1.1351 -1.1345 -0.9259 -0.9251 -0.9068 -0.9060 -0.8716 -0.8702 -0.8044 -0.8040 0.0777 0.0784 0.2148 0.2151 0.4930 0.4939 0.7975 0.7977 0.8629 0.8630 1.0555 1.0555 6.8439 6.8439 9.4584 9.4584 10.3182 10.3197 10.4147 10.4147 10.4290 10.4306 10.7586 10.7595 k =-0.0333 0.0333 0.0000 ( 6553 PWs) bands (ev): -19.5058 -19.5058 -19.2702 -19.2701 -17.1649 -17.1640 -16.7578 -16.7578 -16.6636 -16.6608 -16.6597 -16.6588 -16.6494 -16.6487 -16.6469 -16.6469 -8.3038 -8.3038 -6.8702 -6.8697 -5.8896 -5.8879 -4.8891 -4.8867 -4.8133 -4.8108 -4.7791 -4.7790 -4.4010 -4.3996 -4.2657 -4.2657 -1.9949 -1.9903 -1.9526 -1.9499 -1.8922 -1.8893 -1.4053 -1.4052 -1.3942 -1.3914 -1.1345 -1.1336 -0.9275 -0.9264 -0.9081 -0.9068 -0.8736 -0.8714 -0.8091 -0.8085 0.0790 0.0801 0.2158 0.2163 0.4901 0.4914 0.7952 0.7953 0.8603 0.8605 1.0523 1.0523 6.8567 6.8567 9.4597 9.4598 10.3236 10.3259 10.4115 10.4116 10.4296 10.4320 10.7603 10.7616 k =-0.0444 0.0444 0.0000 ( 6557 PWs) bands (ev): -19.5039 -19.5039 -19.2701 -19.2700 -17.1644 -17.1633 -16.7580 -16.7580 -16.6650 -16.6616 -16.6600 -16.6591 -16.6522 -16.6519 -16.6476 -16.6471 -8.2957 -8.2956 -6.8698 -6.8691 -5.8897 -5.8874 -4.8856 -4.8824 -4.8096 -4.8063 -4.7841 -4.7839 -4.4031 -4.4013 -4.2654 -4.2654 -2.0118 -2.0071 -1.9511 -1.9473 -1.8765 -1.8737 -1.4059 -1.4057 -1.3938 -1.3901 -1.1338 -1.1326 -0.9299 -0.9284 -0.9098 -0.9080 -0.8762 -0.8733 -0.8152 -0.8144 0.0810 0.0824 0.2174 0.2179 0.4861 0.4878 0.7919 0.7921 0.8566 0.8569 1.0479 1.0479 6.8746 6.8746 9.4616 9.4617 10.3311 10.3342 10.4072 10.4074 10.4308 10.4340 10.7624 10.7640 k =-0.0556 0.0555 0.0000 ( 6553 PWs) bands (ev): -19.5016 -19.5016 -19.2701 -19.2699 -17.1639 -17.1624 -16.7583 -16.7583 -16.6667 -16.6631 -16.6605 -16.6596 -16.6561 -16.6561 -16.6478 -16.6472 -8.2852 -8.2852 -6.8693 -6.8685 -5.8897 -5.8868 -4.8811 -4.8770 -4.8053 -4.8009 -4.7901 -4.7897 -4.4056 -4.4034 -4.2650 -4.2650 -2.0285 -2.0236 -1.9491 -1.9442 -1.8613 -1.8588 -1.4064 -1.4063 -1.3932 -1.3887 -1.1332 -1.1317 -0.9332 -0.9313 -0.9121 -0.9098 -0.8794 -0.8758 -0.8224 -0.8213 0.0836 0.0854 0.2193 0.2200 0.4812 0.4833 0.7877 0.7880 0.8520 0.8522 1.0423 1.0423 6.8974 6.8974 9.4640 9.4641 10.3407 10.3446 10.4021 10.4023 10.4326 10.4367 10.7644 10.7663 k =-0.0667 0.0666 0.0000 ( 6547 PWs) bands (ev): -19.4987 -19.4987 -19.2700 -19.2698 -17.1631 -17.1614 -16.7587 -16.7587 -16.6690 -16.6656 -16.6614 -16.6612 -16.6599 -16.6598 -16.6480 -16.6472 -8.2724 -8.2724 -6.8687 -6.8677 -5.8897 -5.8862 -4.8754 -4.8706 -4.8034 -4.8004 -4.7931 -4.7915 -4.4085 -4.4058 -4.2645 -4.2645 -2.0448 -2.0398 -1.9465 -1.9406 -1.8470 -1.8446 -1.4069 -1.4068 -1.3925 -1.3872 -1.1328 -1.1311 -0.9375 -0.9354 -0.9151 -0.9122 -0.8833 -0.8789 -0.8299 -0.8287 0.0869 0.0890 0.2217 0.2226 0.4753 0.4778 0.7827 0.7830 0.8463 0.8466 1.0355 1.0355 6.9252 6.9252 9.4670 9.4671 10.3520 10.3566 10.3963 10.3965 10.4353 10.4402 10.7659 10.7682 k =-0.0778 0.0777 0.0000 ( 6543 PWs) bands (ev): -19.4953 -19.4953 -19.2698 -19.2696 -17.1622 -17.1602 -16.7592 -16.7591 -16.6724 -16.6704 -16.6659 -16.6639 -16.6610 -16.6607 -16.6482 -16.6474 -8.2574 -8.2574 -6.8680 -6.8668 -5.8897 -5.8857 -4.8687 -4.8632 -4.8102 -4.8089 -4.7883 -4.7842 -4.4117 -4.4086 -4.2640 -4.2639 -2.0608 -2.0556 -1.9434 -1.9365 -1.8336 -1.8314 -1.4072 -1.4070 -1.3917 -1.3856 -1.1331 -1.1311 -0.9432 -0.9409 -0.9190 -0.9150 -0.8879 -0.8827 -0.8373 -0.8359 0.0908 0.0932 0.2245 0.2256 0.4685 0.4715 0.7769 0.7772 0.8396 0.8399 1.0276 1.0276 6.9577 6.9577 9.4706 9.4707 10.3645 10.3699 10.3902 10.3906 10.4390 10.4447 10.7666 10.7691 k =-0.0889 0.0888 0.0000 ( 6551 PWs) bands (ev): -19.4914 -19.4914 -19.2697 -19.2695 -17.1612 -17.1589 -16.7597 -16.7596 -16.6782 -16.6773 -16.6695 -16.6660 -16.6617 -16.6614 -16.6484 -16.6476 -8.2402 -8.2402 -6.8672 -6.8659 -5.8897 -5.8852 -4.8612 -4.8549 -4.8204 -4.8194 -4.7801 -4.7750 -4.4151 -4.4115 -4.2633 -4.2632 -2.0762 -2.0709 -1.9399 -1.9321 -1.8212 -1.8193 -1.4072 -1.4070 -1.3910 -1.3841 -1.1342 -1.1321 -0.9505 -0.9482 -0.9236 -0.9184 -0.8933 -0.8871 -0.8437 -0.8421 0.0953 0.0980 0.2277 0.2291 0.4609 0.4644 0.7703 0.7706 0.8319 0.8323 1.0186 1.0187 6.9950 6.9950 9.4748 9.4748 10.3742 10.3786 10.3881 10.3893 10.4440 10.4506 10.7661 10.7687 k =-0.1000 0.0999 0.0000 ( 6557 PWs) bands (ev): -19.4870 -19.4870 -19.2695 -19.2693 -17.1600 -17.1574 -16.7603 -16.7602 -16.6858 -16.6853 -16.6722 -16.6681 -16.6624 -16.6622 -16.6487 -16.6479 -8.2208 -8.2208 -6.8664 -6.8649 -5.8898 -5.8848 -4.8531 -4.8459 -4.8321 -4.8309 -4.7704 -4.7647 -4.4185 -4.4146 -4.2625 -4.2624 -2.0910 -2.0856 -1.9362 -1.9274 -1.8102 -1.8084 -1.4067 -1.4064 -1.3904 -1.3828 -1.1368 -1.1346 -0.9596 -0.9574 -0.9290 -0.9222 -0.8994 -0.8921 -0.8487 -0.8470 0.1006 0.1036 0.2313 0.2330 0.4526 0.4566 0.7629 0.7633 0.8233 0.8237 1.0087 1.0087 7.0368 7.0368 9.4796 9.4796 10.3711 10.3731 10.3987 10.4029 10.4506 10.4582 10.7642 10.7668 k =-0.1111 0.1110 0.0000 ( 6541 PWs) bands (ev): -19.4822 -19.4822 -19.2694 -19.2691 -17.1587 -17.1558 -16.7609 -16.7608 -16.6946 -16.6943 -16.6747 -16.6703 -16.6631 -16.6631 -16.6491 -16.6483 -8.1992 -8.1992 -6.8654 -6.8638 -5.8901 -5.8846 -4.8499 -4.8472 -4.8380 -4.8341 -4.7595 -4.7532 -4.4220 -4.4177 -4.2616 -4.2614 -2.1051 -2.0996 -1.9321 -1.9225 -1.8005 -1.7990 -1.4054 -1.4051 -1.3899 -1.3817 -1.1413 -1.1390 -0.9703 -0.9683 -0.9350 -0.9263 -0.9063 -0.8976 -0.8521 -0.8503 0.1066 0.1098 0.2353 0.2373 0.4437 0.4483 0.7549 0.7553 0.8137 0.8142 0.9978 0.9979 7.0830 7.0830 9.4850 9.4850 10.3631 10.3649 10.4138 10.4186 10.4592 10.4680 10.7607 10.7634 k =-0.1222 0.1221 0.0000 ( 6545 PWs) bands (ev): -19.4769 -19.4769 -19.2692 -19.2689 -17.1572 -17.1541 -16.7616 -16.7615 -16.7044 -16.7042 -16.6773 -16.6725 -16.6640 -16.6640 -16.6495 -16.6488 -8.1756 -8.1755 -6.8644 -6.8627 -5.8904 -5.8845 -4.8623 -4.8618 -4.8300 -4.8234 -4.7475 -4.7406 -4.4253 -4.4207 -4.2605 -4.2604 -2.1185 -2.1128 -1.9278 -1.9174 -1.7925 -1.7912 -1.4034 -1.4031 -1.3897 -1.3810 -1.1481 -1.1459 -0.9823 -0.9802 -0.9414 -0.9306 -0.9139 -0.9036 -0.8540 -0.8522 0.1134 0.1168 0.2396 0.2420 0.4343 0.4395 0.7463 0.7468 0.8032 0.8037 0.9861 0.9862 7.1335 7.1335 9.4910 9.4910 10.3537 10.3558 10.4291 10.4341 10.4703 10.4803 10.7559 10.7585 k =-0.1333 0.1332 0.0000 ( 6541 PWs) bands (ev): -19.4712 -19.4712 -19.2690 -19.2686 -17.1556 -17.1523 -16.7623 -16.7623 -16.7150 -16.7148 -16.6798 -16.6748 -16.6650 -16.6649 -16.6500 -16.6494 -8.1499 -8.1498 -6.8634 -6.8615 -5.8910 -5.8846 -4.8784 -4.8783 -4.8187 -4.8114 -4.7343 -4.7271 -4.4284 -4.4234 -4.2594 -4.2592 -2.1310 -2.1253 -1.9234 -1.9122 -1.7861 -1.7850 -1.4004 -1.4001 -1.3899 -1.3807 -1.1578 -1.1557 -0.9949 -0.9925 -0.9484 -0.9352 -0.9221 -0.9099 -0.8546 -0.8527 0.1209 0.1245 0.2441 0.2470 0.4246 0.4305 0.7372 0.7376 0.7918 0.7924 0.9736 0.9737 7.1882 7.1882 9.4975 9.4976 10.3431 10.3456 10.4437 10.4488 10.4842 10.4952 10.7501 10.7524 k =-0.1444 0.1443 0.0000 ( 6539 PWs) bands (ev): -19.4651 -19.4650 -19.2687 -19.2684 -17.1539 -17.1503 -16.7631 -16.7631 -16.7263 -16.7262 -16.6825 -16.6773 -16.6661 -16.6658 -16.6506 -16.6500 -8.1222 -8.1221 -6.8624 -6.8604 -5.8917 -5.8850 -4.8962 -4.8961 -4.8063 -4.7985 -4.7202 -4.7126 -4.4311 -4.4259 -4.2581 -4.2579 -2.1426 -2.1368 -1.9189 -1.9070 -1.7816 -1.7807 -1.3964 -1.3961 -1.3905 -1.3810 -1.1706 -1.1686 -1.0073 -1.0046 -0.9560 -0.9405 -0.9306 -0.9166 -0.8541 -0.8522 0.1292 0.1330 0.2488 0.2523 0.4148 0.4215 0.7276 0.7281 0.7796 0.7802 0.9605 0.9606 7.2467 7.2467 9.5047 9.5048 10.3311 10.3342 10.4573 10.4627 10.5007 10.5124 10.7437 10.7457 k =-0.1556 0.1554 0.0000 ( 6543 PWs) bands (ev): -19.4585 -19.4585 -19.2685 -19.2681 -17.1521 -17.1482 -16.7640 -16.7640 -16.7383 -16.7382 -16.6853 -16.6799 -16.6672 -16.6669 -16.6513 -16.6507 -8.0926 -8.0925 -6.8613 -6.8592 -5.8927 -5.8856 -4.9154 -4.9154 -4.7930 -4.7849 -4.7050 -4.6971 -4.4334 -4.4279 -4.2567 -4.2565 -2.1534 -2.1475 -1.9144 -1.9018 -1.7790 -1.7783 -1.3928 -1.3913 -1.3900 -1.3819 -1.1866 -1.1848 -1.0193 -1.0163 -0.9644 -0.9472 -0.9388 -0.9235 -0.8528 -0.8508 0.1384 0.1423 0.2536 0.2576 0.4052 0.4126 0.7176 0.7181 0.7665 0.7671 0.9467 0.9468 7.3090 7.3090 9.5124 9.5126 10.3178 10.3214 10.4703 10.4762 10.5191 10.5312 10.7373 10.7389 k =-0.1667 0.1665 0.0000 ( 6525 PWs) bands (ev): -19.4517 -19.4516 -19.2683 -19.2679 -17.1501 -17.1461 -16.7652 -16.7651 -16.7507 -16.7506 -16.6881 -16.6825 -16.6683 -16.6680 -16.6520 -16.6515 -8.0611 -8.0610 -6.8603 -6.8581 -5.8940 -5.8866 -4.9361 -4.9360 -4.7789 -4.7706 -4.6889 -4.6808 -4.4351 -4.4294 -4.2551 -4.2549 -2.1631 -2.1571 -1.9100 -1.8967 -1.7783 -1.7778 -1.3942 -1.3858 -1.3844 -1.3829 -1.2052 -1.2036 -1.0307 -1.0273 -0.9736 -0.9560 -0.9458 -0.9306 -0.8509 -0.8489 0.1484 0.1524 0.2581 0.2629 0.3959 0.4043 0.7072 0.7077 0.7527 0.7533 0.9325 0.9326 7.3750 7.3750 9.5207 9.5209 10.3028 10.3070 10.4828 10.4894 10.5386 10.5508 10.7316 10.7328 k =-0.1778 0.1777 0.0000 ( 6523 PWs) bands (ev): -19.4444 -19.4444 -19.2680 -19.2676 -17.1481 -17.1438 -16.7681 -16.7680 -16.7619 -16.7617 -16.6910 -16.6853 -16.6695 -16.6691 -16.6528 -16.6524 -8.0278 -8.0277 -6.8593 -6.8570 -5.8956 -5.8879 -4.9581 -4.9580 -4.7641 -4.7556 -4.6720 -4.6637 -4.4362 -4.4302 -4.2534 -4.2532 -2.1718 -2.1658 -1.9056 -1.8918 -1.7796 -1.7792 -1.3967 -1.3863 -1.3781 -1.3776 -1.2259 -1.2244 -1.0417 -1.0379 -0.9836 -0.9668 -0.9519 -0.9378 -0.8485 -0.8465 0.1592 0.1632 0.2622 0.2678 0.3874 0.3967 0.6967 0.6971 0.7381 0.7388 0.9178 0.9180 7.4443 7.4443 9.5294 9.5297 10.2861 10.2909 10.4948 10.5023 10.5588 10.5709 10.7272 10.7280 k =-0.1889 0.1888 0.0000 ( 6521 PWs) bands (ev): -19.4369 -19.4369 -19.2677 -19.2673 -17.1460 -17.1415 -16.7791 -16.7791 -16.7654 -16.7654 -16.6939 -16.6881 -16.6707 -16.6703 -16.6537 -16.6533 -7.9928 -7.9927 -6.8583 -6.8560 -5.8975 -5.8896 -4.9815 -4.9814 -4.7486 -4.7400 -4.6542 -4.6459 -4.4365 -4.4304 -4.2515 -4.2514 -2.1795 -2.1734 -1.9015 -1.8871 -1.7826 -1.7824 -1.4001 -1.3895 -1.3716 -1.3709 -1.2475 -1.2460 -1.0525 -1.0484 -0.9946 -0.9787 -0.9579 -0.9451 -0.8459 -0.8438 0.1708 0.1749 0.2656 0.2719 0.3803 0.3905 0.6859 0.6863 0.7229 0.7236 0.9028 0.9030 7.5168 7.5168 9.5385 9.5389 10.2677 10.2732 10.5059 10.5145 10.5798 10.5914 10.7247 10.7250 k =-0.2000 0.1999 0.0000 ( 6521 PWs) bands (ev): -19.4291 -19.4291 -19.2675 -19.2671 -17.1437 -17.1391 -16.7930 -16.7929 -16.7666 -16.7666 -16.6970 -16.6910 -16.6720 -16.6715 -16.6547 -16.6543 -7.9561 -7.9560 -6.8574 -6.8550 -5.8998 -5.8917 -5.0062 -5.0061 -4.7326 -4.7240 -4.6357 -4.6273 -4.4360 -4.4298 -4.2496 -4.2494 -2.1861 -2.1800 -1.8975 -1.8826 -1.7874 -1.7874 -1.4043 -1.3937 -1.3667 -1.3659 -1.2677 -1.2662 -1.0633 -1.0590 -1.0066 -0.9916 -0.9640 -0.9526 -0.8430 -0.8410 0.1832 0.1872 0.2678 0.2746 0.3751 0.3861 0.6750 0.6754 0.7070 0.7077 0.8876 0.8878 7.5923 7.5923 9.5478 9.5483 10.2480 10.2540 10.5155 10.5253 10.6015 10.6124 10.7243 10.7244 k =-0.2111 0.2110 0.0000 ( 6523 PWs) bands (ev): -19.4210 -19.4210 -19.2672 -19.2668 -17.1415 -17.1367 -16.8074 -16.8074 -16.7677 -16.7676 -16.7000 -16.6940 -16.6733 -16.6727 -16.6556 -16.6553 -7.9179 -7.9177 -6.8565 -6.8541 -5.9025 -5.8942 -5.0322 -5.0320 -4.7160 -4.7075 -4.6166 -4.6082 -4.4346 -4.4283 -4.2474 -4.2472 -2.1916 -2.1854 -1.8937 -1.8785 -1.7939 -1.7938 -1.4092 -1.3987 -1.3668 -1.3661 -1.2828 -1.2815 -1.0745 -1.0699 -1.0194 -1.0053 -0.9704 -0.9603 -0.8401 -0.8382 0.1964 0.2002 0.2684 0.2755 0.3725 0.3839 0.6640 0.6643 0.6906 0.6914 0.8722 0.8725 7.6706 7.6706 9.5572 9.5579 10.2271 10.2336 10.5226 10.5337 10.6245 10.6344 10.7260 10.7265 k =-0.2222 0.2221 0.0000 ( 6519 PWs) bands (ev): -19.4127 -19.4127 -19.2669 -19.2665 -17.1391 -17.1342 -16.8223 -16.8223 -16.7686 -16.7686 -16.7032 -16.6970 -16.6745 -16.6739 -16.6567 -16.6564 -7.8781 -7.8780 -6.8557 -6.8533 -5.9055 -5.8971 -5.0594 -5.0593 -4.6991 -4.6906 -4.5968 -4.5884 -4.4322 -4.4260 -4.2451 -4.2449 -2.1959 -2.1898 -1.8903 -1.8747 -1.8019 -1.8016 -1.4149 -1.4046 -1.3760 -1.3758 -1.2883 -1.2874 -1.0860 -1.0811 -1.0332 -1.0197 -0.9773 -0.9683 -0.8373 -0.8353 0.2101 0.2137 0.2674 0.2741 0.3729 0.3842 0.6529 0.6532 0.6739 0.6747 0.8568 0.8571 7.7515 7.7515 9.5666 9.5674 10.2056 10.2125 10.5267 10.5389 10.6492 10.6581 10.7302 10.7310 k =-0.2333 0.2332 0.0000 ( 6525 PWs) bands (ev): -19.4042 -19.4042 -19.2666 -19.2662 -17.1367 -17.1317 -16.8374 -16.8374 -16.7695 -16.7695 -16.7063 -16.7001 -16.6758 -16.6752 -16.6577 -16.6575 -7.8370 -7.8369 -6.8550 -6.8525 -5.9088 -5.9004 -5.0879 -5.0878 -4.6818 -4.6735 -4.5765 -4.5683 -4.4289 -4.4227 -4.2427 -4.2425 -2.1992 -2.1931 -1.8872 -1.8714 -1.8111 -1.8106 -1.4212 -1.4116 -1.3945 -1.3939 -1.2845 -1.2841 -1.0978 -1.0928 -1.0477 -1.0349 -0.9846 -0.9766 -0.8345 -0.8326 0.2244 0.2273 0.2649 0.2704 0.3764 0.3870 0.6418 0.6419 0.6570 0.6579 0.8415 0.8418 7.8348 7.8348 9.5757 9.5766 10.1840 10.1913 10.5270 10.5401 10.6758 10.6838 10.7368 10.7379 k =-0.2444 0.2443 0.0000 ( 6525 PWs) bands (ev): -19.3956 -19.3956 -19.2663 -19.2659 -17.1343 -17.1292 -16.8527 -16.8526 -16.7705 -16.7704 -16.7094 -16.7032 -16.6771 -16.6765 -16.6588 -16.6587 -7.7946 -7.7945 -6.8544 -6.8519 -5.9125 -5.9041 -5.1176 -5.1175 -4.6643 -4.6562 -4.5558 -4.5477 -4.4246 -4.4185 -4.2402 -4.2400 -2.2015 -2.1954 -1.8846 -1.8685 -1.8213 -1.8207 -1.4284 -1.4226 -1.4181 -1.4137 -1.2757 -1.2755 -1.1097 -1.1045 -1.0631 -1.0506 -0.9924 -0.9852 -0.8319 -0.8300 0.2390 0.2402 0.2620 0.2651 0.3824 0.3922 0.6299 0.6301 0.6405 0.6416 0.8262 0.8266 7.9202 7.9203 9.5842 9.5852 10.1629 10.1705 10.5235 10.5372 10.7045 10.7118 10.7457 10.7470 k =-0.2556 0.2554 0.0000 ( 6529 PWs) bands (ev): -19.3869 -19.3869 -19.2660 -19.2656 -17.1318 -17.1266 -16.8680 -16.8680 -16.7713 -16.7713 -16.7126 -16.7063 -16.6784 -16.6777 -16.6599 -16.6598 -7.7511 -7.7509 -6.8538 -6.8514 -5.9165 -5.9081 -5.1485 -5.1484 -4.6466 -4.6388 -4.5348 -4.5268 -4.4193 -4.4133 -4.2375 -4.2373 -2.2026 -2.1966 -1.8824 -1.8662 -1.8324 -1.8317 -1.4454 -1.4448 -1.4350 -1.4244 -1.2652 -1.2652 -1.1211 -1.1157 -1.0791 -1.0670 -1.0007 -0.9943 -0.8294 -0.8276 0.2473 0.2536 0.2589 0.2640 0.3904 0.3993 0.6161 0.6165 0.6260 0.6273 0.8111 0.8115 8.0076 8.0076 9.5918 9.5930 10.1429 10.1507 10.5161 10.5301 10.7353 10.7423 10.7565 10.7582 k =-0.2667 0.2665 0.0000 ( 6521 PWs) bands (ev): -19.3781 -19.3781 -19.2657 -19.2653 -17.1293 -17.1241 -16.8835 -16.8835 -16.7722 -16.7721 -16.7158 -16.7095 -16.6797 -16.6790 -16.6611 -16.6610 -7.7064 -7.7063 -6.8534 -6.8510 -5.9208 -5.9125 -5.1805 -5.1804 -4.6289 -4.6214 -4.5135 -4.5058 -4.4130 -4.4072 -4.2347 -4.2345 -2.2027 -2.1968 -1.8806 -1.8644 -1.8441 -1.8433 -1.4714 -1.4711 -1.4430 -1.4331 -1.2554 -1.2554 -1.1309 -1.1255 -1.0958 -1.0840 -1.0095 -1.0038 -0.8272 -0.8254 0.2444 0.2512 0.2689 0.2752 0.3999 0.4079 0.6002 0.6005 0.6143 0.6154 0.7963 0.7968 8.0967 8.0967 9.5982 9.5995 10.1248 10.1327 10.5052 10.5192 10.7656 10.7690 10.7739 10.7752 k =-0.2778 0.2776 0.0000 ( 6521 PWs) bands (ev): -19.3693 -19.3693 -19.2655 -19.2650 -17.1268 -17.1215 -16.8989 -16.8989 -16.7730 -16.7729 -16.7189 -16.7126 -16.6810 -16.6803 -16.6622 -16.6621 -7.6608 -7.6606 -6.8531 -6.8507 -5.9254 -5.9172 -5.2136 -5.2135 -4.6112 -4.6041 -4.4921 -4.4846 -4.4057 -4.4002 -4.2318 -4.2316 -2.2018 -2.1960 -1.8795 -1.8634 -1.8564 -1.8553 -1.4978 -1.4977 -1.4510 -1.4417 -1.2490 -1.2487 -1.1372 -1.1320 -1.1128 -1.1014 -1.0189 -1.0138 -0.8251 -0.8235 0.2385 0.2437 0.2833 0.2886 0.4105 0.4177 0.5835 0.5837 0.6040 0.6049 0.7818 0.7823 8.1872 8.1873 9.6030 9.6044 10.1091 10.1170 10.4912 10.5051 10.7829 10.7831 10.8060 10.8103 k =-0.2889 0.2887 0.0000 ( 6523 PWs) bands (ev): -19.3605 -19.3605 -19.2652 -19.2647 -17.1243 -17.1190 -16.9141 -16.9141 -16.7738 -16.7737 -16.7220 -16.7158 -16.6822 -16.6815 -16.6634 -16.6633 -7.6144 -7.6142 -6.8528 -6.8505 -5.9302 -5.9222 -5.2477 -5.2476 -4.5937 -4.5871 -4.4706 -4.4634 -4.3975 -4.3923 -4.2289 -4.2286 -2.2000 -2.1943 -1.8789 -1.8688 -1.8678 -1.8627 -1.5238 -1.5238 -1.4589 -1.4503 -1.2485 -1.2475 -1.1391 -1.1331 -1.1291 -1.1192 -1.0289 -1.0242 -0.8234 -0.8218 0.2319 0.2361 0.2972 0.3018 0.4220 0.4284 0.5669 0.5672 0.5944 0.5952 0.7678 0.7683 8.2790 8.2790 9.6060 9.6073 10.0962 10.1042 10.4746 10.4882 10.7978 10.7983 10.8434 10.8477 k =-0.3000 0.2998 0.0000 ( 6531 PWs) bands (ev): -19.3518 -19.3517 -19.2649 -19.2645 -17.1218 -17.1166 -16.9292 -16.9292 -16.7745 -16.7744 -16.7251 -16.7189 -16.6834 -16.6827 -16.6645 -16.6645 -7.5673 -7.5671 -6.8527 -6.8504 -5.9352 -5.9274 -5.2827 -5.2826 -4.5765 -4.5703 -4.4492 -4.4423 -4.3884 -4.3836 -4.2258 -4.2256 -2.1975 -2.1919 -1.8816 -1.8800 -1.8786 -1.8631 -1.5492 -1.5491 -1.4666 -1.4587 -1.2550 -1.2531 -1.1505 -1.1377 -1.1295 -1.1273 -1.0393 -1.0350 -0.8218 -0.8203 0.2253 0.2287 0.3098 0.3140 0.4339 0.4396 0.5512 0.5516 0.5854 0.5861 0.7541 0.7547 8.3717 8.3717 9.6067 9.6081 10.0867 10.0945 10.4561 10.4692 10.8133 10.8139 10.8829 10.8869 k =-0.3111 0.3109 0.0000 ( 6535 PWs) bands (ev): -19.3431 -19.3431 -19.2646 -19.2642 -17.1193 -17.1142 -16.9440 -16.9440 -16.7752 -16.7751 -16.7281 -16.7220 -16.6846 -16.6839 -16.6656 -16.6656 -7.5197 -7.5194 -6.8526 -6.8504 -5.9404 -5.9328 -5.3186 -5.3185 -4.5596 -4.5539 -4.4280 -4.4214 -4.3786 -4.3741 -4.2228 -4.2225 -2.1942 -2.1888 -1.8936 -1.8920 -1.8796 -1.8642 -1.5737 -1.5735 -1.4740 -1.4669 -1.2674 -1.2648 -1.1686 -1.1562 -1.1182 -1.1164 -1.0502 -1.0463 -0.8206 -0.8191 0.2187 0.2216 0.3208 0.3244 0.4463 0.4513 0.5371 0.5377 0.5769 0.5776 0.7410 0.7417 8.4650 8.4650 9.6052 9.6065 10.0808 10.0884 10.4362 10.4487 10.8291 10.8297 10.9243 10.9279 k =-0.3222 0.3220 0.0000 ( 6529 PWs) bands (ev): -19.3347 -19.3346 -19.2643 -19.2639 -17.1169 -17.1119 -16.9584 -16.9584 -16.7759 -16.7757 -16.7311 -16.7251 -16.6857 -16.6850 -16.6667 -16.6667 -7.4717 -7.4714 -6.8526 -6.8506 -5.9456 -5.9383 -5.3552 -5.3551 -4.5432 -4.5380 -4.4071 -4.4008 -4.3680 -4.3640 -4.2197 -4.2194 -2.1903 -2.1852 -1.9052 -1.9034 -1.8810 -1.8661 -1.5970 -1.5968 -1.4808 -1.4746 -1.2839 -1.2807 -1.1873 -1.1749 -1.1030 -1.1016 -1.0614 -1.0579 -0.8195 -0.8181 0.2124 0.2148 0.3292 0.3323 0.4587 0.4632 0.5252 0.5261 0.5689 0.5696 0.7284 0.7291 8.5587 8.5587 9.6014 9.6026 10.0783 10.0857 10.4154 10.4273 10.8448 10.8454 10.9668 10.9701 k =-0.3333 0.3331 0.0000 ( 6540 PWs) bands (ev): -19.3264 -19.3264 -19.2640 -19.2637 -17.1145 -17.1096 -16.9725 -16.9725 -16.7765 -16.7763 -16.7340 -16.7282 -16.6868 -16.6862 -16.6678 -16.6678 -7.4235 -7.4232 -6.8527 -6.8508 -5.9508 -5.9438 -5.3924 -5.3923 -4.5273 -4.5226 -4.3867 -4.3807 -4.3570 -4.3533 -4.2166 -4.2163 -2.1862 -2.1813 -1.9160 -1.9140 -1.8831 -1.8688 -1.6192 -1.6190 -1.4868 -1.4817 -1.3030 -1.2994 -1.2062 -1.1937 -1.0855 -1.0849 -1.0727 -1.0697 -0.8187 -0.8173 0.2063 0.2084 0.3343 0.3369 0.4711 0.4750 0.5164 0.5177 0.5614 0.5622 0.7164 0.7172 8.6523 8.6524 9.5955 9.5965 10.0792 10.0862 10.3941 10.4054 10.8600 10.8606 11.0096 11.0125 k =-0.3444 0.3442 0.0000 ( 6534 PWs) bands (ev): -19.3184 -19.3184 -19.2638 -19.2634 -17.1122 -17.1074 -16.9860 -16.9860 -16.7770 -16.7767 -16.7368 -16.7311 -16.6879 -16.6872 -16.6688 -16.6688 -7.3753 -7.3751 -6.8529 -6.8511 -5.9560 -5.9494 -5.4300 -5.4300 -4.5121 -4.5079 -4.3669 -4.3612 -4.3454 -4.3422 -4.2135 -4.2132 -2.1818 -2.1774 -1.9257 -1.9234 -1.8859 -1.8723 -1.6402 -1.6399 -1.4920 -1.4879 -1.3238 -1.3199 -1.2252 -1.2126 -1.0852 -1.0817 -1.0668 -1.0657 -0.8182 -0.8168 0.2007 0.2024 0.3355 0.3375 0.4833 0.4866 0.5113 0.5131 0.5546 0.5555 0.7051 0.7060 8.7456 8.7456 9.5878 9.5887 10.0830 10.0897 10.3729 10.3835 10.8743 10.8748 11.0436 11.0465 k =-0.3556 0.3553 0.0000 ( 6534 PWs) bands (ev): -19.3107 -19.3107 -19.2635 -19.2631 -17.1100 -17.1054 -16.9990 -16.9990 -16.7775 -16.7772 -16.7395 -16.7340 -16.6888 -16.6882 -16.6698 -16.6698 -7.3274 -7.3271 -6.8531 -6.8514 -5.9611 -5.9549 -5.4679 -5.4679 -4.4975 -4.4938 -4.3479 -4.3426 -4.3334 -4.3306 -4.2105 -4.2102 -2.1777 -2.1736 -1.9339 -1.9313 -1.8893 -1.8765 -1.6599 -1.6596 -1.4961 -1.4932 -1.3458 -1.3417 -1.2442 -1.2315 -1.0969 -1.0938 -1.0476 -1.0469 -0.8179 -0.8166 0.1954 0.1969 0.3325 0.3340 0.4948 0.4976 0.5104 0.5128 0.5484 0.5494 0.6943 0.6953 8.8380 8.8381 9.5788 9.5796 10.0892 10.0955 10.3520 10.3619 10.8873 10.8878 11.0429 11.0458 k =-0.3667 0.3664 0.0000 ( 6528 PWs) bands (ev): -19.3033 -19.3033 -19.2632 -19.2629 -17.1078 -17.1034 -17.0113 -17.0113 -16.7779 -16.7775 -16.7421 -16.7368 -16.6898 -16.6892 -16.6708 -16.6708 -7.2801 -7.2797 -6.8534 -6.8519 -5.9661 -5.9602 -5.5059 -5.5058 -4.4838 -4.4805 -4.3301 -4.3254 -4.3209 -4.3183 -4.2075 -4.2073 -2.1739 -2.1702 -1.9401 -1.9372 -1.8933 -1.8814 -1.6783 -1.6780 -1.4991 -1.4974 -1.3684 -1.3643 -1.2631 -1.2502 -1.1087 -1.1057 -1.0281 -1.0276 -0.8178 -0.8166 0.1906 0.1918 0.3259 0.3269 0.5048 0.5072 0.5137 0.5166 0.5431 0.5444 0.6843 0.6854 8.9292 8.9293 9.5690 9.5696 10.0972 10.1031 10.3317 10.3409 10.8987 10.8992 11.0382 11.0416 k =-0.3778 0.3775 0.0000 ( 6528 PWs) bands (ev): -19.2964 -19.2964 -19.2630 -19.2626 -17.1058 -17.1016 -17.0230 -17.0230 -16.7782 -16.7778 -16.7446 -16.7395 -16.6906 -16.6901 -16.6717 -16.6716 -7.2335 -7.2331 -6.8538 -6.8524 -5.9709 -5.9654 -5.5436 -5.5435 -4.4709 -4.4681 -4.3145 -4.3110 -4.3072 -4.3041 -4.2047 -4.2045 -2.1708 -2.1675 -1.9442 -1.9409 -1.8977 -1.8868 -1.6955 -1.6951 -1.5008 -1.5004 -1.3915 -1.3873 -1.2817 -1.2687 -1.1203 -1.1175 -1.0087 -1.0085 -0.8180 -0.8168 0.1861 0.1872 0.3164 0.3171 0.5124 0.5151 0.5204 0.5229 0.5396 0.5411 0.6750 0.6762 9.0186 9.0187 9.5587 9.5592 10.1063 10.1118 10.3123 10.3207 10.9082 10.9087 11.0335 11.0374 k =-0.3889 0.3886 0.0000 ( 6524 PWs) bands (ev): -19.2899 -19.2899 -19.2627 -19.2623 -17.1038 -17.1000 -17.0339 -17.0339 -16.7784 -16.7780 -16.7470 -16.7422 -16.6914 -16.6909 -16.6725 -16.6725 -7.1881 -7.1877 -6.8542 -6.8530 -5.9754 -5.9704 -5.5808 -5.5807 -4.4588 -4.4565 -4.3016 -4.2991 -4.2922 -4.2888 -4.2020 -4.2018 -2.1685 -2.1658 -1.9458 -1.9422 -1.9025 -1.8926 -1.7114 -1.7111 -1.5022 -1.5013 -1.4146 -1.4104 -1.3000 -1.2869 -1.1316 -1.1290 -0.9897 -0.9896 -0.8186 -0.8174 0.1821 0.1830 0.3051 0.3056 0.5179 0.5216 0.5269 0.5273 0.5409 0.5418 0.6664 0.6677 9.1054 9.1054 9.5487 9.5492 10.1159 10.1210 10.2940 10.3017 10.9155 10.9159 11.0290 11.0334 k =-0.4000 0.3997 0.0000 ( 6526 PWs) bands (ev): -19.2839 -19.2839 -19.2623 -19.2620 -17.1020 -17.0984 -17.0439 -17.0439 -16.7786 -16.7781 -16.7492 -16.7446 -16.6922 -16.6917 -16.6733 -16.6733 -7.1442 -7.1437 -6.8546 -6.8536 -5.9797 -5.9751 -5.6171 -5.6170 -4.4478 -4.4458 -4.2901 -4.2882 -4.2773 -4.2741 -4.1994 -4.1992 -2.1673 -2.1650 -1.9449 -1.9410 -1.9075 -1.8987 -1.7262 -1.7258 -1.5028 -1.5006 -1.4375 -1.4333 -1.3178 -1.3047 -1.1424 -1.1400 -0.9712 -0.9712 -0.8194 -0.8183 0.1785 0.1793 0.2928 0.2932 0.5197 0.5226 0.5325 0.5327 0.5478 0.5478 0.6585 0.6599 9.1887 9.1887 9.5395 9.5399 10.1254 10.1301 10.2770 10.2840 10.9205 10.9209 11.0250 11.0297 k =-0.4111 0.4108 0.0000 ( 6546 PWs) bands (ev): -19.2786 -19.2786 -19.2619 -19.2617 -17.1004 -17.0971 -17.0531 -17.0530 -16.7787 -16.7781 -16.7512 -16.7470 -16.6928 -16.6924 -16.6740 -16.6740 -7.1022 -7.1018 -6.8551 -6.8543 -5.9836 -5.9795 -5.6521 -5.6520 -4.4377 -4.4360 -4.2796 -4.2781 -4.2634 -4.2604 -4.1971 -4.1969 -2.1670 -2.1651 -1.9415 -1.9373 -1.9124 -1.9048 -1.7399 -1.7394 -1.5021 -1.4986 -1.4597 -1.4557 -1.3352 -1.3220 -1.1526 -1.1503 -0.9536 -0.9534 -0.8207 -0.8195 0.1753 0.1760 0.2804 0.2806 0.5181 0.5199 0.5396 0.5399 0.5559 0.5560 0.6513 0.6529 9.2672 9.2673 9.5321 9.5325 10.1341 10.1384 10.2615 10.2677 10.9230 10.9234 11.0215 11.0265 k =-0.4222 0.4219 0.0000 ( 6544 PWs) bands (ev): -19.2739 -19.2739 -19.2614 -19.2612 -17.0988 -17.0959 -17.0613 -17.0613 -16.7787 -16.7781 -16.7530 -16.7492 -16.6934 -16.6930 -16.6746 -16.6746 -7.0628 -7.0622 -6.8557 -6.8551 -5.9871 -5.9835 -5.6852 -5.6852 -4.4287 -4.4273 -4.2700 -4.2688 -4.2507 -4.2480 -4.1949 -4.1947 -2.1676 -2.1661 -1.9359 -1.9314 -1.9172 -1.9108 -1.7526 -1.7520 -1.5003 -1.4956 -1.4809 -1.4769 -1.3519 -1.3388 -1.1619 -1.1599 -0.9368 -0.9365 -0.8223 -0.8212 0.1725 0.1731 0.2683 0.2684 0.5157 0.5169 0.5469 0.5474 0.5639 0.5640 0.6449 0.6466 9.3385 9.3387 9.5280 9.5286 10.1416 10.1455 10.2476 10.2530 10.9233 10.9237 11.0185 11.0236 k =-0.4333 0.4330 0.0000 ( 6540 PWs) bands (ev): -19.2701 -19.2701 -19.2607 -19.2604 -17.0974 -17.0949 -17.0685 -17.0685 -16.7787 -16.7781 -16.7546 -16.7512 -16.6939 -16.6936 -16.6752 -16.6751 -7.0263 -7.0257 -6.8564 -6.8560 -5.9902 -5.9871 -5.7160 -5.7160 -4.4208 -4.4197 -4.2614 -4.2604 -4.2394 -4.2370 -4.1930 -4.1928 -2.1688 -2.1676 -1.9291 -1.9239 -1.9209 -1.9163 -1.7643 -1.7636 -1.5016 -1.5005 -1.4936 -1.4905 -1.3680 -1.3550 -1.1704 -1.1686 -0.9210 -0.9207 -0.8244 -0.8233 0.1701 0.1706 0.2569 0.2570 0.5133 0.5142 0.5538 0.5544 0.5712 0.5716 0.6392 0.6410 9.3979 9.3984 9.5313 9.5322 10.1474 10.1510 10.2353 10.2399 10.9217 10.9221 11.0162 11.0213 k =-0.4444 0.4441 0.0000 ( 6544 PWs) bands (ev): -19.2673 -19.2673 -19.2595 -19.2593 -17.0962 -17.0941 -17.0747 -17.0746 -16.7786 -16.7780 -16.7560 -16.7530 -16.6944 -16.6941 -16.6757 -16.6756 -6.9935 -6.9929 -6.8572 -6.8570 -5.9928 -5.9902 -5.7438 -5.7438 -4.4140 -4.4131 -4.2538 -4.2531 -4.2296 -4.2276 -4.1914 -4.1912 -2.1703 -2.1695 -1.9277 -1.9220 -1.9174 -1.9143 -1.7751 -1.7743 -1.5195 -1.5166 -1.4915 -1.4853 -1.3833 -1.3705 -1.1778 -1.1762 -0.9064 -0.9060 -0.8271 -0.8260 0.1681 0.1685 0.2467 0.2468 0.5111 0.5118 0.5601 0.5607 0.5777 0.5784 0.6343 0.6361 9.4367 9.4374 9.5497 9.5508 10.1514 10.1545 10.2249 10.2287 10.9185 10.9189 11.0145 11.0193 k =-0.4556 0.4552 0.0000 ( 6548 PWs) bands (ev): -19.2656 -19.2656 -19.2579 -19.2578 -17.0952 -17.0934 -17.0798 -17.0797 -16.7785 -16.7779 -16.7571 -16.7546 -16.6947 -16.6945 -16.6760 -16.6760 -6.9649 -6.9642 -6.8582 -6.8582 -5.9950 -5.9929 -5.7679 -5.7679 -4.4084 -4.4077 -4.2475 -4.2469 -4.2214 -4.2198 -4.1900 -4.1898 -2.1720 -2.1714 -1.9306 -1.9264 -1.9080 -1.9048 -1.7851 -1.7842 -1.5353 -1.5327 -1.4861 -1.4788 -1.3976 -1.3852 -1.1839 -1.1826 -0.8931 -0.8925 -0.8304 -0.8294 0.1665 0.1668 0.2380 0.2381 0.5093 0.5098 0.5655 0.5660 0.5834 0.5842 0.6301 0.6319 9.4532 9.4538 9.5840 9.5850 10.1534 10.1561 10.2163 10.2194 10.9145 10.9148 11.0134 11.0177 k =-0.4667 0.4663 0.0000 ( 6548 PWs) bands (ev): -19.2647 -19.2647 -19.2563 -19.2562 -17.0944 -17.0930 -17.0837 -17.0837 -16.7783 -16.7778 -16.7579 -16.7560 -16.6950 -16.6948 -16.6763 -16.6763 -6.9412 -6.9405 -6.8596 -6.8595 -5.9966 -5.9950 -5.7876 -5.7876 -4.4040 -4.4035 -4.2425 -4.2421 -4.2150 -4.2138 -4.1888 -4.1887 -2.1736 -2.1731 -1.9332 -1.9302 -1.8981 -1.8952 -1.7941 -1.7932 -1.5483 -1.5462 -1.4796 -1.4716 -1.4108 -1.3990 -1.1888 -1.1878 -0.8811 -0.8804 -0.8345 -0.8335 0.1653 0.1655 0.2310 0.2310 0.5079 0.5082 0.5698 0.5702 0.5880 0.5889 0.6267 0.6284 9.4578 9.4582 9.6218 9.6226 10.1539 10.1560 10.2097 10.2120 10.9103 10.9106 11.0128 11.0164 k =-0.4778 0.4774 0.0000 ( 6556 PWs) bands (ev): -19.2642 -19.2642 -19.2549 -19.2549 -17.0937 -17.0928 -17.0866 -17.0865 -16.7781 -16.7778 -16.7585 -16.7571 -16.6952 -16.6950 -16.6766 -16.6766 -6.9231 -6.9225 -6.8612 -6.8610 -5.9977 -5.9967 -5.8022 -5.8022 -4.4008 -4.4005 -4.2388 -4.2385 -4.2103 -4.2095 -4.1880 -4.1879 -2.1748 -2.1745 -1.9351 -1.9331 -1.8890 -1.8867 -1.8017 -1.8009 -1.5579 -1.5564 -1.4723 -1.4642 -1.4224 -1.4117 -1.1923 -1.1916 -0.8704 -0.8696 -0.8393 -0.8384 0.1644 0.1645 0.2258 0.2258 0.5068 0.5071 0.5730 0.5733 0.5916 0.5924 0.6243 0.6256 9.4585 9.4588 9.6533 9.6539 10.1534 10.1549 10.2050 10.2065 10.9067 10.9069 11.0128 11.0153 k =-0.4889 0.4885 0.0000 ( 6568 PWs) bands (ev): -19.2640 -19.2640 -19.2540 -19.2540 -17.0933 -17.0928 -17.0882 -17.0882 -16.7780 -16.7778 -16.7586 -16.7580 -16.6953 -16.6952 -16.6767 -16.6767 -6.9113 -6.9109 -6.8627 -6.8625 -5.9983 -5.9978 -5.8113 -5.8113 -4.3988 -4.3987 -4.2366 -4.2364 -4.2074 -4.2070 -4.1875 -4.1875 -2.1755 -2.1754 -1.9361 -1.9351 -1.8822 -1.8808 -1.8070 -1.8065 -1.5637 -1.5630 -1.4646 -1.4582 -1.4305 -1.4229 -1.1944 -1.1940 -0.8611 -0.8603 -0.8451 -0.8442 0.1638 0.1639 0.2226 0.2227 0.5062 0.5064 0.5750 0.5751 0.5940 0.5945 0.6229 0.6237 9.4583 9.4584 9.6739 9.6741 10.1528 10.1535 10.2023 10.2031 10.9043 10.9044 11.0131 11.0144 k =-0.5000 0.4996 0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1757 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1527 10.1527 10.2017 10.2017 10.9034 10.9034 11.0137 11.0137 k =-0.5000 0.4996 0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1757 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1527 10.1527 10.2017 10.2017 10.9034 10.9034 11.0137 11.0137 k =-0.4996 0.5000-0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1758 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1526 10.1528 10.2016 10.2018 10.9034 10.9034 11.0137 11.0137 k =-0.4996 0.5000-0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1758 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1526 10.1528 10.2016 10.2018 10.9034 10.9034 11.0137 11.0137 k =-0.4996 0.5000 0.0155 ( 6572 PWs) bands (ev): -19.2639 -19.2639 -19.2538 -19.2537 -17.0932 -17.0928 -17.0889 -17.0886 -16.7779 -16.7778 -16.7585 -16.7585 -16.6955 -16.6950 -16.6769 -16.6766 -6.9070 -6.9068 -6.8633 -6.8632 -5.9982 -5.9978 -5.8146 -5.8142 -4.3982 -4.3981 -4.2359 -4.2357 -4.2067 -4.2062 -4.1881 -4.1874 -2.1753 -2.1751 -1.9368 -1.9356 -1.8802 -1.8792 -1.8089 -1.8088 -1.5693 -1.5683 -1.4580 -1.4565 -1.4273 -1.4258 -1.1966 -1.1963 -0.8551 -0.8548 -0.8485 -0.8481 0.1637 0.1640 0.2210 0.2215 0.5057 0.5066 0.5743 0.5743 0.5946 0.5950 0.6234 0.6237 9.4594 9.4598 9.6824 9.6824 10.1538 10.1540 10.2025 10.2030 10.9021 10.9028 11.0157 11.0160 k =-0.4996 0.5000 0.0311 ( 6558 PWs) bands (ev): -19.2639 -19.2638 -19.2538 -19.2537 -17.0933 -17.0927 -17.0891 -17.0884 -16.7779 -16.7777 -16.7586 -16.7586 -16.6956 -16.6947 -16.6772 -16.6765 -6.9068 -6.9064 -6.8634 -6.8631 -5.9975 -5.9968 -5.8152 -5.8143 -4.3983 -4.3980 -4.2363 -4.2359 -4.2074 -4.2065 -4.1897 -4.1883 -2.1736 -2.1733 -1.9375 -1.9351 -1.8826 -1.8804 -1.8090 -1.8089 -1.5786 -1.5771 -1.4554 -1.4527 -1.4165 -1.4137 -1.2010 -1.2006 -0.8560 -0.8554 -0.8452 -0.8443 0.1640 0.1645 0.2197 0.2207 0.5053 0.5071 0.5703 0.5705 0.5939 0.5944 0.6256 0.6262 9.4635 9.4642 9.6863 9.6863 10.1572 10.1576 10.2054 10.2064 10.8990 10.9003 11.0218 11.0224 k =-0.4996 0.5000 0.0466 ( 6548 PWs) bands (ev): -19.2638 -19.2638 -19.2539 -19.2538 -17.0934 -17.0924 -17.0892 -17.0882 -16.7779 -16.7776 -16.7588 -16.7587 -16.6958 -16.6944 -16.6774 -16.6765 -6.9063 -6.9059 -6.8635 -6.8630 -5.9962 -5.9951 -5.8159 -5.8146 -4.3984 -4.3980 -4.2367 -4.2361 -4.2086 -4.2071 -4.1922 -4.1900 -2.1709 -2.1704 -1.9383 -1.9349 -1.8860 -1.8828 -1.8093 -1.8090 -1.5910 -1.5895 -1.4508 -1.4471 -1.4005 -1.3966 -1.2082 -1.2076 -0.8574 -0.8565 -0.8399 -0.8386 0.1646 0.1653 0.2177 0.2192 0.5049 0.5076 0.5644 0.5648 0.5929 0.5935 0.6286 0.6295 9.4703 9.4715 9.6929 9.6929 10.1629 10.1636 10.2104 10.2119 10.8947 10.8965 11.0315 11.0324 k =-0.4996 0.5000 0.0622 ( 6554 PWs) bands (ev): -19.2638 -19.2637 -19.2540 -19.2538 -17.0934 -17.0922 -17.0893 -17.0881 -16.7779 -16.7775 -16.7591 -16.7589 -16.6958 -16.6941 -16.6778 -16.6765 -6.9057 -6.9051 -6.8636 -6.8630 -5.9943 -5.9929 -5.8168 -5.8151 -4.3985 -4.3979 -4.2373 -4.2365 -4.2103 -4.2081 -4.1955 -4.1924 -2.1671 -2.1664 -1.9394 -1.9350 -1.8903 -1.8862 -1.8096 -1.8090 -1.6045 -1.6036 -1.4444 -1.4400 -1.3812 -1.3765 -1.2177 -1.2170 -0.8591 -0.8580 -0.8329 -0.8312 0.1654 0.1664 0.2151 0.2170 0.5044 0.5080 0.5570 0.5578 0.5916 0.5922 0.6319 0.6331 9.4799 9.4814 9.7020 9.7020 10.1710 10.1719 10.2175 10.2195 10.8898 10.8919 11.0442 11.0451 k =-0.4996 0.5000 0.0777 ( 6542 PWs) bands (ev): -19.2637 -19.2635 -19.2541 -19.2539 -17.0935 -17.0919 -17.0895 -17.0879 -16.7778 -16.7773 -16.7594 -16.7592 -16.6959 -16.6937 -16.6781 -16.6765 -6.9050 -6.9042 -6.8637 -6.8629 -5.9919 -5.9901 -5.8180 -5.8158 -4.3986 -4.3979 -4.2380 -4.2370 -4.2126 -4.2096 -4.1992 -4.1951 -2.1623 -2.1614 -1.9408 -1.9355 -1.8955 -1.8905 -1.8101 -1.8088 -1.6180 -1.6179 -1.4365 -1.4312 -1.3599 -1.3545 -1.2292 -1.2284 -0.8613 -0.8600 -0.8245 -0.8224 0.1665 0.1678 0.2120 0.2143 0.5038 0.5083 0.5486 0.5498 0.5903 0.5908 0.6351 0.6367 9.4923 9.4941 9.7135 9.7136 10.1814 10.1825 10.2265 10.2290 10.8846 10.8871 11.0593 11.0602 k =-0.4996 0.5000 0.0932 ( 6526 PWs) bands (ev): -19.2635 -19.2634 -19.2542 -19.2540 -17.0935 -17.0917 -17.0896 -17.0877 -16.7777 -16.7771 -16.7597 -16.7595 -16.6959 -16.6933 -16.6785 -16.6766 -6.9040 -6.9031 -6.8638 -6.8629 -5.9889 -5.9868 -5.8194 -5.8168 -4.3986 -4.3977 -4.2388 -4.2376 -4.2158 -4.2121 -4.2031 -4.1982 -2.1564 -2.1554 -1.9426 -1.9366 -1.9013 -1.8954 -1.8108 -1.8085 -1.6317 -1.6307 -1.4271 -1.4211 -1.3374 -1.3315 -1.2423 -1.2415 -0.8638 -0.8623 -0.8152 -0.8128 0.1679 0.1694 0.2084 0.2111 0.5029 0.5082 0.5395 0.5412 0.5889 0.5894 0.6382 0.6400 9.5073 9.5095 9.7275 9.7276 10.1941 10.1954 10.2374 10.2405 10.8794 10.8822 11.0762 11.0770 k =-0.4996 0.5000 0.1088 ( 6524 PWs) bands (ev): -19.2634 -19.2632 -19.2543 -19.2541 -17.0935 -17.0914 -17.0897 -17.0875 -16.7775 -16.7769 -16.7601 -16.7599 -16.6958 -16.6928 -16.6790 -16.6768 -6.9029 -6.9019 -6.8640 -6.8629 -5.9854 -5.9830 -5.8210 -5.8181 -4.3985 -4.3975 -4.2396 -4.2383 -4.2199 -4.2161 -4.2065 -4.2012 -2.1497 -2.1486 -1.9449 -1.9383 -1.9075 -1.9009 -1.8116 -1.8081 -1.6443 -1.6421 -1.4164 -1.4098 -1.3144 -1.3082 -1.2566 -1.2560 -0.8665 -0.8648 -0.8054 -0.8028 0.1694 0.1713 0.2045 0.2076 0.5016 0.5077 0.5299 0.5320 0.5876 0.5880 0.6409 0.6430 9.5248 9.5274 9.7438 9.7438 10.2091 10.2105 10.2501 10.2537 10.8745 10.8774 11.0928 11.0939 k =-0.4996 0.5000 0.1243 ( 6520 PWs) bands (ev): -19.2632 -19.2630 -19.2545 -19.2543 -17.0934 -17.0911 -17.0898 -17.0873 -16.7774 -16.7767 -16.7605 -16.7604 -16.6957 -16.6924 -16.6795 -16.6770 -6.9016 -6.9005 -6.8642 -6.8630 -5.9815 -5.9787 -5.8229 -5.8196 -4.3983 -4.3971 -4.2405 -4.2389 -4.2250 -4.2217 -4.2091 -4.2041 -2.1422 -2.1409 -1.9479 -1.9409 -1.9139 -1.9066 -1.8129 -1.8078 -1.6554 -1.6516 -1.4046 -1.3975 -1.2914 -1.2859 -1.2716 -1.2709 -0.8692 -0.8674 -0.7955 -0.7926 0.1711 0.1733 0.2003 0.2038 0.4997 0.5066 0.5200 0.5224 0.5866 0.5871 0.6432 0.6456 9.5448 9.5477 9.7622 9.7622 10.2263 10.2279 10.2645 10.2686 10.8697 10.8729 11.0898 11.0908 k =-0.4996 0.5000 0.1399 ( 6500 PWs) bands (ev): -19.2630 -19.2628 -19.2547 -19.2544 -17.0934 -17.0907 -17.0899 -17.0872 -16.7772 -16.7764 -16.7610 -16.7609 -16.6955 -16.6919 -16.6800 -16.6772 -6.9002 -6.8990 -6.8644 -6.8631 -5.9770 -5.9739 -5.8251 -5.8214 -4.3979 -4.3966 -4.2414 -4.2396 -4.2311 -4.2285 -4.2113 -4.2068 -2.1339 -2.1325 -1.9514 -1.9443 -1.9204 -1.9124 -1.8146 -1.8077 -1.6644 -1.6590 -1.3921 -1.3845 -1.2895 -1.2880 -1.2686 -1.2604 -0.8718 -0.8699 -0.7858 -0.7827 0.1730 0.1756 0.1961 0.1998 0.4969 0.5046 0.5100 0.5127 0.5860 0.5866 0.6451 0.6476 9.5671 9.5703 9.7825 9.7826 10.2458 10.2476 10.2804 10.2851 10.8652 10.8685 11.0829 11.0840 k =-0.4996 0.5000 0.1554 ( 6512 PWs) bands (ev): -19.2628 -19.2625 -19.2549 -19.2546 -17.0933 -17.0904 -17.0900 -17.0870 -16.7769 -16.7761 -16.7616 -16.7614 -16.6953 -16.6914 -16.6806 -16.6775 -6.8987 -6.8973 -6.8647 -6.8632 -5.9721 -5.9688 -5.8275 -5.8235 -4.3973 -4.3959 -4.2424 -4.2404 -4.2380 -4.2358 -4.2133 -4.2093 -2.1250 -2.1235 -1.9556 -1.9484 -1.9268 -1.9182 -1.8172 -1.8084 -1.6709 -1.6639 -1.3791 -1.3710 -1.3055 -1.3046 -1.2468 -1.2386 -0.8742 -0.8722 -0.7766 -0.7734 0.1749 0.1780 0.1919 0.1959 0.4928 0.5003 0.5013 0.5036 0.5859 0.5867 0.6464 0.6492 9.5916 9.5951 9.8045 9.8046 10.2674 10.2693 10.2976 10.3030 10.8608 10.8644 11.0753 11.0764 k =-0.4996 0.5000 0.1709 ( 6520 PWs) bands (ev): -19.2626 -19.2623 -19.2551 -19.2548 -17.0932 -17.0901 -17.0901 -17.0869 -16.7767 -16.7758 -16.7621 -16.7620 -16.6951 -16.6909 -16.6812 -16.6778 -6.8971 -6.8956 -6.8650 -6.8634 -5.9669 -5.9632 -5.8303 -5.8260 -4.3964 -4.3949 -4.2458 -4.2457 -4.2416 -4.2408 -4.2154 -4.2117 -2.1156 -2.1140 -1.9604 -1.9532 -1.9329 -1.9237 -1.8207 -1.8101 -1.6746 -1.6662 -1.3666 -1.3585 -1.3209 -1.3206 -1.2261 -1.2176 -0.8759 -0.8739 -0.7683 -0.7650 0.1769 0.1804 0.1879 0.1921 0.4859 0.4923 0.4931 0.4988 0.5865 0.5874 0.6473 0.6502 9.6180 9.6218 9.8280 9.8280 10.2912 10.2932 10.3161 10.3220 10.8566 10.8603 11.0666 11.0678 k =-0.4996 0.5000 0.1865 ( 6534 PWs) bands (ev): -19.2623 -19.2620 -19.2554 -19.2551 -17.0931 -17.0902 -17.0898 -17.0868 -16.7764 -16.7755 -16.7627 -16.7626 -16.6948 -16.6903 -16.6818 -16.6782 -6.8954 -6.8938 -6.8654 -6.8637 -5.9612 -5.9573 -5.8333 -5.8287 -4.3953 -4.3936 -4.2540 -4.2536 -4.2429 -4.2413 -4.2175 -4.2141 -2.1058 -2.1042 -1.9657 -1.9586 -1.9385 -1.9287 -1.8253 -1.8132 -1.6752 -1.6658 -1.3591 -1.3538 -1.3314 -1.3284 -1.2072 -1.1983 -0.8768 -0.8748 -0.7611 -0.7577 0.1785 0.1827 0.1845 0.1889 0.4767 0.4829 0.4871 0.4942 0.5877 0.5889 0.6477 0.6508 9.6463 9.6503 9.8524 9.8524 10.3170 10.3192 10.3355 10.3421 10.8526 10.8565 11.0566 11.0579 k =-0.4996 0.5000 0.2020 ( 6508 PWs) bands (ev): -19.2621 -19.2617 -19.2556 -19.2553 -17.0930 -17.0903 -17.0894 -17.0866 -16.7760 -16.7751 -16.7633 -16.7633 -16.6945 -16.6898 -16.6824 -16.6786 -6.8936 -6.8919 -6.8658 -6.8640 -5.9553 -5.9510 -5.8367 -5.8319 -4.3937 -4.3919 -4.2626 -4.2625 -4.2435 -4.2417 -4.2196 -4.2165 -2.0958 -2.0942 -1.9712 -1.9643 -1.9434 -1.9330 -1.8309 -1.8178 -1.6727 -1.6629 -1.3674 -1.3656 -1.3264 -1.3192 -1.1904 -1.1811 -0.8764 -0.8745 -0.7552 -0.7517 0.1787 0.1830 0.1838 0.1871 0.4671 0.4736 0.4813 0.4891 0.5895 0.5910 0.6476 0.6508 9.6761 9.6804 9.8773 9.8774 10.3448 10.3470 10.3557 10.3630 10.8488 10.8530 11.0452 11.0467 k =-0.4996 0.5000 0.2176 ( 6514 PWs) bands (ev): -19.2618 -19.2614 -19.2559 -19.2555 -17.0929 -17.0904 -17.0891 -17.0865 -16.7757 -16.7747 -16.7640 -16.7640 -16.6941 -16.6892 -16.6831 -16.6790 -6.8918 -6.8900 -6.8664 -6.8645 -5.9490 -5.9445 -5.8405 -5.8353 -4.3917 -4.3898 -4.2717 -4.2714 -4.2439 -4.2420 -4.2218 -4.2188 -2.0858 -2.0841 -1.9770 -1.9703 -1.9474 -1.9366 -1.8376 -1.8239 -1.6675 -1.6575 -1.3837 -1.3826 -1.3133 -1.3049 -1.1762 -1.1665 -0.8745 -0.8727 -0.7508 -0.7472 0.1768 0.1822 0.1839 0.1885 0.4578 0.4648 0.4752 0.4833 0.5918 0.5937 0.6470 0.6504 9.7073 9.7118 9.9021 9.9022 10.3738 10.3763 10.3774 10.3848 10.8454 10.8498 11.0320 11.0336 k =-0.4996 0.5000 0.2331 ( 6520 PWs) bands (ev): -19.2615 -19.2611 -19.2562 -19.2558 -17.0927 -17.0905 -17.0888 -17.0865 -16.7752 -16.7743 -16.7647 -16.7646 -16.6937 -16.6886 -16.6837 -16.6795 -6.8899 -6.8880 -6.8670 -6.8651 -5.9426 -5.9378 -5.8445 -5.8392 -4.3893 -4.3873 -4.2811 -4.2805 -4.2441 -4.2421 -4.2239 -4.2211 -2.0760 -2.0743 -1.9829 -1.9764 -1.9504 -1.9390 -1.8452 -1.8312 -1.6598 -1.6501 -1.4016 -1.4005 -1.2985 -1.2896 -1.1651 -1.1550 -0.8708 -0.8690 -0.7480 -0.7444 0.1749 0.1805 0.1851 0.1903 0.4492 0.4567 0.4687 0.4772 0.5947 0.5968 0.6460 0.6495 9.7394 9.7440 9.9261 9.9263 10.3973 10.4044 10.4067 10.4102 10.8425 10.8471 11.0160 11.0178 k =-0.4996 0.5000 0.2486 ( 6512 PWs) bands (ev): -19.2612 -19.2608 -19.2565 -19.2561 -17.0926 -17.0906 -17.0885 -17.0864 -16.7748 -16.7738 -16.7655 -16.7653 -16.6933 -16.6881 -16.6844 -16.6799 -6.8881 -6.8861 -6.8678 -6.8657 -5.9359 -5.9310 -5.8489 -5.8434 -4.3864 -4.3843 -4.2905 -4.2896 -4.2442 -4.2421 -4.2260 -4.2233 -2.0666 -2.0648 -1.9886 -1.9824 -1.9521 -1.9403 -1.8535 -1.8394 -1.6500 -1.6408 -1.4201 -1.4188 -1.2833 -1.2740 -1.1573 -1.1470 -0.8650 -0.8632 -0.7470 -0.7434 0.1735 0.1793 0.1862 0.1920 0.4414 0.4495 0.4620 0.4708 0.5979 0.6003 0.6446 0.6481 9.7721 9.7769 9.9482 9.9486 10.4193 10.4278 10.4395 10.4423 10.8403 10.8453 10.9953 10.9969 k =-0.4996 0.5000 0.2642 ( 6520 PWs) bands (ev): -19.2609 -19.2605 -19.2568 -19.2564 -17.0924 -17.0907 -17.0882 -17.0864 -16.7743 -16.7733 -16.7662 -16.7660 -16.6928 -16.6875 -16.6851 -16.6804 -6.8862 -6.8841 -6.8686 -6.8665 -5.9292 -5.9240 -5.8537 -5.8480 -4.3829 -4.3808 -4.2998 -4.2987 -4.2440 -4.2419 -4.2281 -4.2255 -2.0578 -2.0560 -1.9943 -1.9883 -1.9523 -1.9401 -1.8623 -1.8484 -1.6385 -1.6300 -1.4387 -1.4371 -1.2679 -1.2584 -1.1529 -1.1424 -0.8573 -0.8555 -0.7479 -0.7443 0.1728 0.1789 0.1869 0.1931 0.4346 0.4433 0.4553 0.4643 0.6014 0.6041 0.6427 0.6463 9.8050 9.8099 9.9675 9.9682 10.4419 10.4509 10.4736 10.4763 10.8392 10.8446 10.9660 10.9663 k =-0.4996 0.5000 0.2797 ( 6514 PWs) bands (ev): -19.2605 -19.2601 -19.2571 -19.2567 -17.0923 -17.0908 -17.0879 -17.0864 -16.7738 -16.7728 -16.7670 -16.7666 -16.6923 -16.6869 -16.6858 -16.6810 -6.8843 -6.8822 -6.8695 -6.8674 -5.9223 -5.9169 -5.8587 -5.8529 -4.3789 -4.3767 -4.3090 -4.3077 -4.2436 -4.2415 -4.2302 -4.2277 -2.0498 -2.0478 -1.9996 -1.9939 -1.9508 -1.9383 -1.8717 -1.8580 -1.6257 -1.6178 -1.4573 -1.4553 -1.2527 -1.2429 -1.1519 -1.1412 -0.8479 -0.8459 -0.7506 -0.7471 0.1728 0.1791 0.1871 0.1937 0.4292 0.4383 0.4487 0.4579 0.6051 0.6080 0.6405 0.6441 9.8376 9.8425 9.9828 9.9838 10.4655 10.4748 10.5084 10.5110 10.8390 10.8448 10.9253 10.9269 k =-0.4996 0.5000 0.2953 ( 6498 PWs) bands (ev): -19.2602 -19.2598 -19.2574 -19.2570 -17.0921 -17.0910 -17.0876 -17.0864 -16.7732 -16.7723 -16.7677 -16.7673 -16.6917 -16.6865 -16.6863 -16.6815 -6.8825 -6.8803 -6.8706 -6.8684 -5.9154 -5.9099 -5.8641 -5.8582 -4.3743 -4.3721 -4.3179 -4.3164 -4.2431 -4.2408 -4.2322 -4.2297 -2.0427 -2.0406 -2.0047 -1.9993 -1.9476 -1.9349 -1.8813 -1.8678 -1.6117 -1.6045 -1.4758 -1.4735 -1.2378 -1.2279 -1.1538 -1.1431 -0.8371 -0.8350 -0.7552 -0.7518 0.1734 0.1801 0.1867 0.1937 0.4251 0.4347 0.4423 0.4518 0.6090 0.6121 0.6379 0.6416 9.8693 9.8741 9.9929 9.9944 10.4906 10.4999 10.5426 10.5453 10.8391 10.8455 10.8807 10.8837 k =-0.4996 0.5000 0.3108 ( 6504 PWs) bands (ev): -19.2598 -19.2594 -19.2578 -19.2573 -17.0919 -17.0911 -17.0874 -17.0865 -16.7726 -16.7717 -16.7685 -16.7680 -16.6911 -16.6872 -16.6857 -16.6821 -6.8807 -6.8785 -6.8717 -6.8695 -5.9085 -5.9028 -5.8698 -5.8638 -4.3691 -4.3669 -4.3266 -4.3249 -4.2423 -4.2401 -4.2340 -4.2316 -2.0367 -2.0342 -2.0095 -2.0044 -1.9427 -1.9298 -1.8911 -1.8778 -1.5967 -1.5903 -1.4942 -1.4914 -1.2234 -1.2133 -1.1585 -1.1477 -0.8254 -0.8231 -0.7616 -0.7583 0.1747 0.1815 0.1858 0.1930 0.4226 0.4324 0.4365 0.4462 0.6130 0.6162 0.6350 0.6386 9.8993 9.9039 9.9971 9.9990 10.5173 10.5264 10.5740 10.5769 10.8377 10.8395 10.8429 10.8446 k =-0.4996 0.5000 0.3263 ( 6508 PWs) bands (ev): -19.2595 -19.2591 -19.2581 -19.2577 -17.0918 -17.0912 -17.0872 -17.0866 -16.7720 -16.7711 -16.7692 -16.7686 -16.6905 -16.6879 -16.6850 -16.6827 -6.8790 -6.8768 -6.8730 -6.8707 -5.9017 -5.8959 -5.8757 -5.8698 -4.3634 -4.3612 -4.3349 -4.3331 -4.2414 -4.2391 -4.2358 -4.2334 -2.0314 -2.0285 -2.0140 -2.0093 -1.9363 -1.9233 -1.9010 -1.8878 -1.5809 -1.5752 -1.5123 -1.5090 -1.2097 -1.1994 -1.1655 -1.1548 -0.8133 -0.8107 -0.7696 -0.7664 0.1764 0.1835 0.1844 0.1918 0.4215 0.4313 0.4317 0.4413 0.6169 0.6203 0.6317 0.6354 9.9269 9.9313 9.9947 9.9973 10.5453 10.5539 10.5979 10.6014 10.8079 10.8111 10.8313 10.8373 k =-0.4996 0.5000 0.3419 ( 6510 PWs) bands (ev): -19.2592 -19.2587 -19.2585 -19.2580 -17.0916 -17.0913 -17.0870 -17.0867 -16.7713 -16.7705 -16.7699 -16.7693 -16.6899 -16.6886 -16.6844 -16.6832 -6.8774 -6.8751 -6.8744 -6.8721 -5.8949 -5.8891 -5.8819 -5.8760 -4.3570 -4.3549 -4.3428 -4.3408 -4.2402 -4.2379 -4.2374 -4.2351 -2.0268 -2.0234 -2.0183 -2.0140 -1.9286 -1.9156 -1.9106 -1.8975 -1.5645 -1.5595 -1.5301 -1.5263 -1.1968 -1.1864 -1.1744 -1.1638 -0.8012 -0.7985 -0.7791 -0.7760 0.1784 0.1825 0.1857 0.1900 0.4220 0.4271 0.4322 0.4372 0.6209 0.6243 0.6283 0.6319 9.9512 9.9552 9.9859 9.9890 10.5730 10.5808 10.6065 10.6114 10.7944 10.7960 10.8170 10.8208 k =-0.4996 0.5000 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k =-0.4996 0.5000 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k =-0.5000 0.4996 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k =-0.5000 0.4996 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 k =-0.5000 0.4996 0.3419 ( 6508 PWs) bands (ev): -19.2592 -19.2587 -19.2585 -19.2580 -17.0916 -17.0913 -17.0870 -17.0867 -16.7713 -16.7705 -16.7699 -16.7693 -16.6899 -16.6886 -16.6844 -16.6832 -6.8774 -6.8751 -6.8744 -6.8721 -5.8949 -5.8891 -5.8819 -5.8760 -4.3570 -4.3549 -4.3428 -4.3408 -4.2402 -4.2379 -4.2374 -4.2351 -2.0268 -2.0234 -2.0183 -2.0140 -1.9286 -1.9156 -1.9107 -1.8975 -1.5645 -1.5595 -1.5301 -1.5263 -1.1968 -1.1864 -1.1744 -1.1638 -0.8012 -0.7985 -0.7791 -0.7760 0.1784 0.1825 0.1857 0.1900 0.4220 0.4271 0.4322 0.4372 0.6209 0.6243 0.6283 0.6319 9.9512 9.9552 9.9859 9.9890 10.5730 10.5808 10.6065 10.6114 10.7944 10.7960 10.8170 10.8208 k =-0.5000 0.4996 0.3263 ( 6508 PWs) bands (ev): -19.2595 -19.2591 -19.2581 -19.2577 -17.0918 -17.0912 -17.0872 -17.0866 -16.7720 -16.7711 -16.7692 -16.7686 -16.6905 -16.6879 -16.6850 -16.6827 -6.8790 -6.8768 -6.8730 -6.8707 -5.9017 -5.8959 -5.8757 -5.8698 -4.3634 -4.3612 -4.3349 -4.3331 -4.2414 -4.2391 -4.2358 -4.2334 -2.0314 -2.0285 -2.0140 -2.0093 -1.9363 -1.9233 -1.9010 -1.8878 -1.5809 -1.5752 -1.5123 -1.5090 -1.2097 -1.1994 -1.1655 -1.1548 -0.8133 -0.8107 -0.7696 -0.7664 0.1764 0.1835 0.1843 0.1918 0.4216 0.4314 0.4316 0.4413 0.6169 0.6203 0.6317 0.6354 9.9269 9.9313 9.9947 9.9973 10.5453 10.5539 10.5979 10.6014 10.8080 10.8111 10.8313 10.8373 k =-0.5000 0.4996 0.3108 ( 6504 PWs) bands (ev): -19.2598 -19.2594 -19.2578 -19.2573 -17.0919 -17.0911 -17.0874 -17.0865 -16.7726 -16.7717 -16.7685 -16.7680 -16.6911 -16.6872 -16.6857 -16.6821 -6.8807 -6.8785 -6.8717 -6.8695 -5.9085 -5.9028 -5.8698 -5.8638 -4.3691 -4.3669 -4.3266 -4.3249 -4.2423 -4.2401 -4.2340 -4.2316 -2.0367 -2.0342 -2.0095 -2.0044 -1.9427 -1.9298 -1.8911 -1.8778 -1.5967 -1.5903 -1.4942 -1.4914 -1.2234 -1.2133 -1.1585 -1.1478 -0.8254 -0.8231 -0.7616 -0.7583 0.1747 0.1815 0.1858 0.1930 0.4226 0.4325 0.4365 0.4462 0.6130 0.6162 0.6349 0.6386 9.8993 9.9039 9.9971 9.9990 10.5173 10.5264 10.5740 10.5769 10.8377 10.8394 10.8430 10.8445 k =-0.5000 0.4996 0.2953 ( 6498 PWs) bands (ev): -19.2602 -19.2598 -19.2574 -19.2570 -17.0921 -17.0910 -17.0876 -17.0864 -16.7732 -16.7723 -16.7677 -16.7673 -16.6917 -16.6865 -16.6863 -16.6815 -6.8825 -6.8803 -6.8706 -6.8684 -5.9154 -5.9099 -5.8641 -5.8582 -4.3743 -4.3721 -4.3179 -4.3164 -4.2431 -4.2408 -4.2322 -4.2297 -2.0427 -2.0406 -2.0047 -1.9993 -1.9476 -1.9349 -1.8813 -1.8678 -1.6117 -1.6045 -1.4758 -1.4735 -1.2378 -1.2279 -1.1538 -1.1431 -0.8371 -0.8350 -0.7552 -0.7518 0.1734 0.1801 0.1867 0.1937 0.4251 0.4347 0.4423 0.4518 0.6090 0.6121 0.6379 0.6416 9.8693 9.8741 9.9929 9.9944 10.4906 10.4999 10.5426 10.5453 10.8391 10.8455 10.8807 10.8837 k =-0.5000 0.4996 0.2797 ( 6516 PWs) bands (ev): -19.2605 -19.2601 -19.2571 -19.2567 -17.0923 -17.0908 -17.0879 -17.0864 -16.7738 -16.7728 -16.7670 -16.7666 -16.6923 -16.6869 -16.6858 -16.6810 -6.8843 -6.8822 -6.8695 -6.8674 -5.9223 -5.9169 -5.8587 -5.8529 -4.3789 -4.3767 -4.3090 -4.3077 -4.2436 -4.2415 -4.2302 -4.2277 -2.0498 -2.0478 -1.9996 -1.9939 -1.9508 -1.9383 -1.8717 -1.8580 -1.6257 -1.6178 -1.4573 -1.4553 -1.2527 -1.2429 -1.1519 -1.1412 -0.8479 -0.8459 -0.7506 -0.7471 0.1728 0.1791 0.1871 0.1937 0.4292 0.4383 0.4487 0.4579 0.6051 0.6080 0.6405 0.6441 9.8376 9.8425 9.9828 9.9838 10.4655 10.4748 10.5084 10.5110 10.8390 10.8448 10.9253 10.9269 k =-0.5000 0.4996 0.2642 ( 6522 PWs) bands (ev): -19.2609 -19.2605 -19.2568 -19.2564 -17.0924 -17.0907 -17.0882 -17.0864 -16.7743 -16.7733 -16.7662 -16.7660 -16.6928 -16.6875 -16.6851 -16.6804 -6.8862 -6.8841 -6.8686 -6.8665 -5.9292 -5.9240 -5.8537 -5.8480 -4.3829 -4.3808 -4.2998 -4.2987 -4.2440 -4.2419 -4.2281 -4.2255 -2.0578 -2.0560 -1.9943 -1.9883 -1.9523 -1.9401 -1.8623 -1.8484 -1.6385 -1.6300 -1.4387 -1.4371 -1.2679 -1.2584 -1.1529 -1.1424 -0.8573 -0.8555 -0.7479 -0.7443 0.1728 0.1789 0.1869 0.1931 0.4346 0.4433 0.4553 0.4643 0.6014 0.6041 0.6427 0.6463 9.8051 9.8099 9.9675 9.9682 10.4419 10.4510 10.4736 10.4763 10.8392 10.8446 10.9660 10.9663 k =-0.5000 0.4996 0.2486 ( 6512 PWs) bands (ev): -19.2612 -19.2608 -19.2565 -19.2561 -17.0926 -17.0906 -17.0885 -17.0864 -16.7748 -16.7738 -16.7655 -16.7653 -16.6933 -16.6881 -16.6844 -16.6799 -6.8881 -6.8861 -6.8678 -6.8657 -5.9359 -5.9310 -5.8489 -5.8434 -4.3864 -4.3843 -4.2905 -4.2896 -4.2442 -4.2421 -4.2260 -4.2233 -2.0666 -2.0648 -1.9886 -1.9824 -1.9521 -1.9403 -1.8535 -1.8395 -1.6500 -1.6408 -1.4201 -1.4188 -1.2833 -1.2740 -1.1573 -1.1470 -0.8650 -0.8632 -0.7470 -0.7434 0.1735 0.1793 0.1862 0.1920 0.4414 0.4495 0.4620 0.4708 0.5979 0.6003 0.6446 0.6481 9.7721 9.7769 9.9482 9.9486 10.4193 10.4278 10.4395 10.4423 10.8403 10.8453 10.9953 10.9969 k =-0.5000 0.4996 0.2331 ( 6520 PWs) bands (ev): -19.2615 -19.2611 -19.2562 -19.2558 -17.0927 -17.0905 -17.0888 -17.0865 -16.7752 -16.7743 -16.7647 -16.7646 -16.6937 -16.6886 -16.6837 -16.6795 -6.8899 -6.8880 -6.8670 -6.8651 -5.9426 -5.9378 -5.8445 -5.8392 -4.3893 -4.3873 -4.2811 -4.2805 -4.2441 -4.2421 -4.2239 -4.2211 -2.0760 -2.0743 -1.9829 -1.9764 -1.9504 -1.9390 -1.8452 -1.8312 -1.6598 -1.6501 -1.4016 -1.4005 -1.2985 -1.2896 -1.1651 -1.1551 -0.8708 -0.8690 -0.7480 -0.7444 0.1749 0.1805 0.1851 0.1903 0.4492 0.4567 0.4687 0.4772 0.5947 0.5968 0.6460 0.6495 9.7394 9.7440 9.9261 9.9263 10.3973 10.4046 10.4065 10.4101 10.8425 10.8471 11.0160 11.0178 k =-0.5000 0.4996 0.2176 ( 6514 PWs) bands (ev): -19.2618 -19.2614 -19.2559 -19.2555 -17.0929 -17.0904 -17.0891 -17.0865 -16.7757 -16.7747 -16.7640 -16.7640 -16.6941 -16.6892 -16.6831 -16.6790 -6.8918 -6.8900 -6.8664 -6.8645 -5.9490 -5.9445 -5.8405 -5.8353 -4.3917 -4.3898 -4.2717 -4.2714 -4.2439 -4.2420 -4.2218 -4.2188 -2.0858 -2.0841 -1.9770 -1.9703 -1.9474 -1.9366 -1.8376 -1.8239 -1.6675 -1.6575 -1.3837 -1.3826 -1.3133 -1.3049 -1.1762 -1.1665 -0.8745 -0.8727 -0.7508 -0.7472 0.1768 0.1822 0.1838 0.1885 0.4578 0.4649 0.4752 0.4833 0.5918 0.5937 0.6470 0.6504 9.7073 9.7118 9.9021 9.9022 10.3740 10.3765 10.3771 10.3847 10.8454 10.8498 11.0320 11.0336 k =-0.5000 0.4996 0.2020 ( 6508 PWs) bands (ev): -19.2621 -19.2617 -19.2556 -19.2553 -17.0930 -17.0903 -17.0894 -17.0866 -16.7760 -16.7751 -16.7633 -16.7633 -16.6945 -16.6898 -16.6824 -16.6786 -6.8936 -6.8919 -6.8658 -6.8640 -5.9553 -5.9510 -5.8367 -5.8319 -4.3937 -4.3919 -4.2626 -4.2625 -4.2435 -4.2417 -4.2196 -4.2165 -2.0958 -2.0942 -1.9712 -1.9643 -1.9434 -1.9330 -1.8309 -1.8178 -1.6727 -1.6629 -1.3674 -1.3656 -1.3264 -1.3192 -1.1904 -1.1811 -0.8764 -0.8745 -0.7552 -0.7517 0.1787 0.1830 0.1838 0.1871 0.4671 0.4737 0.4813 0.4891 0.5895 0.5910 0.6476 0.6508 9.6762 9.6804 9.8773 9.8774 10.3449 10.3470 10.3557 10.3630 10.8488 10.8530 11.0452 11.0467 k =-0.5000 0.4996 0.1865 ( 6534 PWs) bands (ev): -19.2623 -19.2620 -19.2554 -19.2551 -17.0931 -17.0902 -17.0898 -17.0868 -16.7764 -16.7755 -16.7627 -16.7626 -16.6948 -16.6903 -16.6818 -16.6782 -6.8954 -6.8938 -6.8654 -6.8637 -5.9612 -5.9573 -5.8333 -5.8287 -4.3953 -4.3936 -4.2540 -4.2536 -4.2429 -4.2413 -4.2175 -4.2141 -2.1058 -2.1042 -1.9657 -1.9586 -1.9385 -1.9287 -1.8253 -1.8132 -1.6752 -1.6658 -1.3591 -1.3538 -1.3314 -1.3284 -1.2072 -1.1983 -0.8768 -0.8748 -0.7611 -0.7577 0.1785 0.1827 0.1845 0.1889 0.4767 0.4829 0.4871 0.4942 0.5877 0.5889 0.6477 0.6508 9.6463 9.6503 9.8524 9.8524 10.3171 10.3192 10.3354 10.3420 10.8526 10.8565 11.0566 11.0579 k =-0.5000 0.4996 0.1709 ( 6520 PWs) bands (ev): -19.2626 -19.2623 -19.2551 -19.2548 -17.0932 -17.0901 -17.0901 -17.0869 -16.7767 -16.7758 -16.7621 -16.7620 -16.6951 -16.6909 -16.6812 -16.6778 -6.8971 -6.8956 -6.8650 -6.8634 -5.9669 -5.9632 -5.8303 -5.8260 -4.3964 -4.3949 -4.2458 -4.2457 -4.2416 -4.2408 -4.2154 -4.2117 -2.1156 -2.1140 -1.9604 -1.9532 -1.9329 -1.9237 -1.8207 -1.8101 -1.6746 -1.6662 -1.3666 -1.3585 -1.3209 -1.3206 -1.2261 -1.2176 -0.8759 -0.8739 -0.7683 -0.7650 0.1769 0.1804 0.1879 0.1921 0.4859 0.4925 0.4929 0.4988 0.5865 0.5874 0.6473 0.6502 9.6180 9.6218 9.8279 9.8280 10.2912 10.2933 10.3160 10.3220 10.8566 10.8603 11.0666 11.0678 k =-0.5000 0.4996 0.1554 ( 6512 PWs) bands (ev): -19.2628 -19.2625 -19.2549 -19.2546 -17.0933 -17.0904 -17.0900 -17.0870 -16.7769 -16.7761 -16.7616 -16.7614 -16.6953 -16.6914 -16.6806 -16.6775 -6.8987 -6.8973 -6.8647 -6.8632 -5.9721 -5.9688 -5.8275 -5.8235 -4.3973 -4.3959 -4.2424 -4.2404 -4.2380 -4.2358 -4.2133 -4.2093 -2.1250 -2.1235 -1.9556 -1.9484 -1.9268 -1.9182 -1.8172 -1.8084 -1.6709 -1.6639 -1.3791 -1.3710 -1.3055 -1.3046 -1.2468 -1.2386 -0.8742 -0.8722 -0.7766 -0.7734 0.1749 0.1780 0.1919 0.1959 0.4928 0.5004 0.5012 0.5036 0.5859 0.5867 0.6464 0.6492 9.5916 9.5951 9.8045 9.8046 10.2675 10.2694 10.2976 10.3029 10.8608 10.8644 11.0753 11.0764 k =-0.5000 0.4996 0.1399 ( 6500 PWs) bands (ev): -19.2630 -19.2628 -19.2547 -19.2544 -17.0934 -17.0907 -17.0899 -17.0872 -16.7772 -16.7764 -16.7610 -16.7609 -16.6955 -16.6919 -16.6800 -16.6772 -6.9002 -6.8990 -6.8644 -6.8630 -5.9770 -5.9739 -5.8251 -5.8214 -4.3979 -4.3966 -4.2414 -4.2396 -4.2311 -4.2285 -4.2113 -4.2068 -2.1339 -2.1325 -1.9514 -1.9443 -1.9204 -1.9124 -1.8147 -1.8077 -1.6644 -1.6590 -1.3921 -1.3845 -1.2895 -1.2880 -1.2686 -1.2604 -0.8718 -0.8699 -0.7858 -0.7827 0.1730 0.1756 0.1961 0.1998 0.4969 0.5046 0.5100 0.5127 0.5860 0.5866 0.6451 0.6476 9.5671 9.5703 9.7825 9.7826 10.2458 10.2476 10.2804 10.2851 10.8652 10.8685 11.0829 11.0840 k =-0.5000 0.4996 0.1243 ( 6520 PWs) bands (ev): -19.2632 -19.2630 -19.2545 -19.2543 -17.0934 -17.0911 -17.0898 -17.0873 -16.7774 -16.7767 -16.7605 -16.7604 -16.6957 -16.6924 -16.6795 -16.6770 -6.9016 -6.9005 -6.8642 -6.8630 -5.9815 -5.9787 -5.8229 -5.8196 -4.3983 -4.3971 -4.2405 -4.2389 -4.2250 -4.2217 -4.2091 -4.2041 -2.1422 -2.1409 -1.9479 -1.9409 -1.9139 -1.9066 -1.8129 -1.8078 -1.6554 -1.6516 -1.4046 -1.3975 -1.2914 -1.2859 -1.2715 -1.2709 -0.8692 -0.8674 -0.7955 -0.7926 0.1711 0.1733 0.2003 0.2038 0.4997 0.5066 0.5200 0.5224 0.5866 0.5871 0.6432 0.6456 9.5448 9.5477 9.7622 9.7622 10.2263 10.2279 10.2645 10.2686 10.8697 10.8729 11.0894 11.0904 k =-0.5000 0.4996 0.1088 ( 6524 PWs) bands (ev): -19.2634 -19.2632 -19.2543 -19.2541 -17.0935 -17.0914 -17.0897 -17.0875 -16.7775 -16.7769 -16.7601 -16.7599 -16.6958 -16.6928 -16.6790 -16.6768 -6.9029 -6.9019 -6.8640 -6.8629 -5.9854 -5.9830 -5.8210 -5.8181 -4.3985 -4.3975 -4.2396 -4.2383 -4.2199 -4.2161 -4.2065 -4.2012 -2.1497 -2.1486 -1.9449 -1.9383 -1.9075 -1.9009 -1.8116 -1.8081 -1.6443 -1.6421 -1.4164 -1.4098 -1.3144 -1.3082 -1.2566 -1.2560 -0.8665 -0.8648 -0.8054 -0.8028 0.1694 0.1713 0.2045 0.2076 0.5016 0.5077 0.5299 0.5320 0.5876 0.5880 0.6409 0.6430 9.5248 9.5274 9.7438 9.7438 10.2091 10.2105 10.2501 10.2537 10.8745 10.8774 11.0926 11.0937 k =-0.5000 0.4996 0.0932 ( 6524 PWs) bands (ev): -19.2635 -19.2634 -19.2542 -19.2540 -17.0935 -17.0917 -17.0896 -17.0877 -16.7777 -16.7771 -16.7597 -16.7595 -16.6959 -16.6933 -16.6785 -16.6766 -6.9040 -6.9031 -6.8638 -6.8629 -5.9889 -5.9868 -5.8194 -5.8168 -4.3986 -4.3977 -4.2388 -4.2376 -4.2158 -4.2121 -4.2031 -4.1982 -2.1564 -2.1554 -1.9426 -1.9366 -1.9013 -1.8954 -1.8108 -1.8085 -1.6317 -1.6307 -1.4271 -1.4211 -1.3374 -1.3315 -1.2423 -1.2415 -0.8638 -0.8623 -0.8152 -0.8128 0.1679 0.1694 0.2084 0.2111 0.5029 0.5082 0.5395 0.5412 0.5889 0.5894 0.6382 0.6400 9.5073 9.5095 9.7275 9.7276 10.1941 10.1954 10.2374 10.2404 10.8794 10.8822 11.0762 11.0770 k =-0.5000 0.4996 0.0777 ( 6544 PWs) bands (ev): -19.2637 -19.2635 -19.2541 -19.2539 -17.0935 -17.0919 -17.0895 -17.0879 -16.7778 -16.7773 -16.7594 -16.7592 -16.6959 -16.6937 -16.6781 -16.6765 -6.9050 -6.9042 -6.8637 -6.8629 -5.9919 -5.9901 -5.8180 -5.8158 -4.3986 -4.3979 -4.2380 -4.2370 -4.2126 -4.2096 -4.1992 -4.1951 -2.1623 -2.1614 -1.9408 -1.9355 -1.8955 -1.8905 -1.8101 -1.8088 -1.6180 -1.6179 -1.4365 -1.4312 -1.3599 -1.3545 -1.2292 -1.2284 -0.8613 -0.8600 -0.8245 -0.8224 0.1665 0.1678 0.2120 0.2143 0.5038 0.5083 0.5486 0.5498 0.5903 0.5908 0.6351 0.6367 9.4923 9.4942 9.7135 9.7136 10.1814 10.1825 10.2265 10.2290 10.8846 10.8871 11.0593 11.0602 k =-0.5000 0.4996 0.0622 ( 6556 PWs) bands (ev): -19.2638 -19.2637 -19.2540 -19.2538 -17.0934 -17.0922 -17.0893 -17.0881 -16.7779 -16.7775 -16.7591 -16.7589 -16.6958 -16.6941 -16.6778 -16.6765 -6.9057 -6.9051 -6.8636 -6.8630 -5.9943 -5.9929 -5.8168 -5.8151 -4.3985 -4.3979 -4.2373 -4.2365 -4.2103 -4.2081 -4.1955 -4.1924 -2.1671 -2.1664 -1.9394 -1.9350 -1.8903 -1.8862 -1.8096 -1.8090 -1.6045 -1.6036 -1.4444 -1.4400 -1.3812 -1.3765 -1.2177 -1.2170 -0.8591 -0.8580 -0.8329 -0.8312 0.1654 0.1664 0.2151 0.2170 0.5044 0.5080 0.5570 0.5578 0.5916 0.5922 0.6319 0.6331 9.4800 9.4814 9.7020 9.7020 10.1710 10.1719 10.2175 10.2195 10.8898 10.8919 11.0442 11.0451 k =-0.5000 0.4996 0.0466 ( 6548 PWs) bands (ev): -19.2638 -19.2638 -19.2539 -19.2538 -17.0934 -17.0924 -17.0892 -17.0882 -16.7779 -16.7776 -16.7588 -16.7587 -16.6958 -16.6944 -16.6774 -16.6765 -6.9063 -6.9059 -6.8635 -6.8630 -5.9962 -5.9951 -5.8159 -5.8146 -4.3984 -4.3980 -4.2367 -4.2361 -4.2086 -4.2071 -4.1922 -4.1900 -2.1709 -2.1704 -1.9383 -1.9349 -1.8860 -1.8828 -1.8093 -1.8090 -1.5910 -1.5895 -1.4508 -1.4471 -1.4005 -1.3966 -1.2082 -1.2076 -0.8574 -0.8565 -0.8399 -0.8386 0.1646 0.1653 0.2177 0.2192 0.5049 0.5076 0.5644 0.5648 0.5929 0.5935 0.6286 0.6295 9.4703 9.4715 9.6929 9.6929 10.1629 10.1636 10.2104 10.2119 10.8947 10.8965 11.0315 11.0324 k =-0.5000 0.4996 0.0311 ( 6560 PWs) bands (ev): -19.2639 -19.2638 -19.2538 -19.2537 -17.0933 -17.0927 -17.0891 -17.0884 -16.7779 -16.7777 -16.7586 -16.7586 -16.6956 -16.6947 -16.6772 -16.6765 -6.9068 -6.9064 -6.8634 -6.8631 -5.9975 -5.9968 -5.8152 -5.8143 -4.3983 -4.3980 -4.2363 -4.2359 -4.2074 -4.2065 -4.1897 -4.1883 -2.1737 -2.1733 -1.9375 -1.9351 -1.8826 -1.8804 -1.8090 -1.8089 -1.5786 -1.5771 -1.4554 -1.4527 -1.4165 -1.4137 -1.2010 -1.2006 -0.8560 -0.8554 -0.8452 -0.8443 0.1640 0.1645 0.2197 0.2207 0.5053 0.5071 0.5703 0.5705 0.5939 0.5944 0.6256 0.6262 9.4635 9.4642 9.6863 9.6863 10.1572 10.1576 10.2054 10.2064 10.8990 10.9003 11.0218 11.0224 k =-0.5000 0.4996 0.0155 ( 6572 PWs) bands (ev): -19.2639 -19.2639 -19.2538 -19.2537 -17.0932 -17.0928 -17.0889 -17.0886 -16.7779 -16.7778 -16.7585 -16.7585 -16.6955 -16.6950 -16.6769 -16.6766 -6.9070 -6.9068 -6.8633 -6.8632 -5.9982 -5.9978 -5.8146 -5.8142 -4.3982 -4.3981 -4.2359 -4.2357 -4.2067 -4.2062 -4.1881 -4.1874 -2.1753 -2.1751 -1.9368 -1.9356 -1.8802 -1.8792 -1.8089 -1.8088 -1.5693 -1.5683 -1.4580 -1.4565 -1.4273 -1.4258 -1.1966 -1.1963 -0.8551 -0.8548 -0.8485 -0.8481 0.1637 0.1640 0.2210 0.2215 0.5057 0.5066 0.5743 0.5743 0.5946 0.5950 0.6234 0.6237 9.4594 9.4598 9.6824 9.6824 10.1538 10.1540 10.2025 10.2030 10.9021 10.9028 11.0157 11.0160 k =-0.5000 0.4996 0.0000 ( 6564 PWs) bands (ev): -19.2639 -19.2639 -19.2537 -19.2537 -17.0930 -17.0930 -17.0887 -17.0887 -16.7779 -16.7779 -16.7585 -16.7585 -16.6953 -16.6953 -16.6767 -16.6767 -6.9070 -6.9070 -6.8633 -6.8633 -5.9983 -5.9983 -5.8143 -5.8143 -4.3981 -4.3981 -4.2358 -4.2358 -4.2063 -4.2063 -4.1873 -4.1873 -2.1757 -2.1757 -1.9361 -1.9361 -1.8791 -1.8791 -1.8088 -1.8088 -1.5654 -1.5654 -1.4584 -1.4584 -1.4307 -1.4307 -1.1950 -1.1950 -0.8547 -0.8547 -0.8495 -0.8495 0.1637 0.1637 0.2216 0.2216 0.5061 0.5061 0.5757 0.5757 0.5950 0.5950 0.6227 0.6227 9.4582 9.4582 9.6811 9.6811 10.1527 10.1527 10.2017 10.2017 10.9034 10.9034 11.0137 11.0137 k = 0.0000 0.0000 0.3574 ( 6564 PWs) bands (ev): -19.3977 -19.3977 -19.3977 -19.3977 -16.9490 -16.9490 -16.9490 -16.9490 -16.6621 -16.6621 -16.6620 -16.6620 -16.6504 -16.6504 -16.6503 -16.6503 -7.7612 -7.7612 -7.7609 -7.7609 -5.2105 -5.2105 -5.2101 -5.2101 -4.6495 -4.6495 -4.6437 -4.6437 -4.5267 -4.5267 -4.5217 -4.5217 -1.8897 -1.8897 -1.8887 -1.8887 -1.5241 -1.5241 -1.5232 -1.5232 -1.2174 -1.2174 -1.2164 -1.2164 -1.0342 -1.0342 -1.0258 -1.0258 -1.0147 -1.0147 -1.0069 -1.0069 0.4007 0.4007 0.4098 0.4098 0.6231 0.6231 0.6301 0.6301 0.7303 0.7303 0.7322 0.7322 8.0000 8.0000 8.0000 8.0000 10.5484 10.5484 10.5639 10.5639 10.7226 10.7226 10.7347 10.7347 k =-0.0111 0.0111 0.3574 ( 6552 PWs) bands (ev): -19.3976 -19.3976 -19.3975 -19.3975 -16.9493 -16.9493 -16.9490 -16.9490 -16.6627 -16.6627 -16.6617 -16.6617 -16.6509 -16.6509 -16.6499 -16.6499 -7.7605 -7.7605 -7.7602 -7.7602 -5.2106 -5.2106 -5.2100 -5.2100 -4.6494 -4.6494 -4.6436 -4.6436 -4.5266 -4.5266 -4.5215 -4.5215 -1.8899 -1.8899 -1.8889 -1.8889 -1.5256 -1.5256 -1.5242 -1.5242 -1.2177 -1.2177 -1.2167 -1.2167 -1.0379 -1.0379 -1.0241 -1.0241 -1.0152 -1.0152 -1.0023 -1.0023 0.3999 0.3999 0.4090 0.4090 0.6220 0.6220 0.6292 0.6292 0.7309 0.7309 0.7334 0.7334 8.0016 8.0016 8.0016 8.0016 10.5458 10.5458 10.5612 10.5612 10.7252 10.7252 10.7374 10.7374 k =-0.0222 0.0222 0.3574 ( 6540 PWs) bands (ev): -19.3971 -19.3971 -19.3971 -19.3971 -16.9499 -16.9499 -16.9493 -16.9493 -16.6635 -16.6635 -16.6617 -16.6617 -16.6515 -16.6515 -16.6496 -16.6496 -7.7583 -7.7583 -7.7580 -7.7580 -5.2110 -5.2110 -5.2100 -5.2100 -4.6492 -4.6492 -4.6433 -4.6433 -4.5262 -4.5262 -4.5211 -4.5211 -1.8907 -1.8907 -1.8895 -1.8895 -1.5297 -1.5297 -1.5275 -1.5275 -1.2185 -1.2185 -1.2176 -1.2176 -1.0432 -1.0432 -1.0270 -1.0270 -1.0084 -1.0084 -0.9938 -0.9938 0.3973 0.3973 0.4064 0.4064 0.6189 0.6189 0.6267 0.6267 0.7332 0.7332 0.7366 0.7366 8.0066 8.0066 8.0066 8.0066 10.5381 10.5381 10.5535 10.5535 10.7323 10.7323 10.7449 10.7449 k =-0.0333 0.0333 0.3574 ( 6538 PWs) bands (ev): -19.3963 -19.3963 -19.3963 -19.3963 -16.9507 -16.9507 -16.9500 -16.9500 -16.6647 -16.6647 -16.6620 -16.6620 -16.6521 -16.6521 -16.6494 -16.6494 -7.7547 -7.7547 -7.7544 -7.7544 -5.2115 -5.2115 -5.2100 -5.2100 -4.6489 -4.6489 -4.6428 -4.6428 -4.5255 -4.5255 -4.5205 -4.5205 -1.8920 -1.8920 -1.8905 -1.8905 -1.5360 -1.5360 -1.5331 -1.5331 -1.2198 -1.2198 -1.2191 -1.2191 -1.0477 -1.0477 -1.0311 -1.0311 -0.9983 -0.9983 -0.9838 -0.9838 0.3931 0.3931 0.4021 0.4021 0.6141 0.6141 0.6225 0.6225 0.7370 0.7370 0.7413 0.7413 8.0148 8.0148 8.0149 8.0149 10.5267 10.5267 10.5420 10.5420 10.7430 10.7430 10.7561 10.7561 k =-0.0444 0.0444 0.3574 ( 6534 PWs) bands (ev): -19.3952 -19.3952 -19.3952 -19.3952 -16.9519 -16.9519 -16.9509 -16.9509 -16.6660 -16.6660 -16.6627 -16.6627 -16.6528 -16.6528 -16.6493 -16.6493 -7.7496 -7.7496 -7.7493 -7.7493 -5.2122 -5.2122 -5.2102 -5.2102 -4.6484 -4.6484 -4.6421 -4.6421 -4.5246 -4.5246 -4.5195 -4.5195 -1.8939 -1.8939 -1.8921 -1.8921 -1.5443 -1.5443 -1.5405 -1.5405 -1.2218 -1.2218 -1.2212 -1.2212 -1.0514 -1.0514 -1.0347 -1.0347 -0.9868 -0.9868 -0.9728 -0.9728 0.3873 0.3873 0.3962 0.3962 0.6080 0.6080 0.6169 0.6169 0.7421 0.7421 0.7470 0.7470 8.0264 8.0264 8.0265 8.0265 10.5125 10.5125 10.5277 10.5277 10.7564 10.7564 10.7699 10.7699 k =-0.0556 0.0555 0.3574 ( 6530 PWs) bands (ev): -19.3938 -19.3938 -19.3938 -19.3938 -16.9533 -16.9533 -16.9520 -16.9520 -16.6676 -16.6676 -16.6637 -16.6637 -16.6534 -16.6534 -16.6494 -16.6494 -7.7431 -7.7431 -7.7427 -7.7427 -5.2131 -5.2131 -5.2106 -5.2106 -4.6477 -4.6477 -4.6411 -4.6411 -4.5234 -4.5234 -4.5183 -4.5183 -1.8964 -1.8964 -1.8944 -1.8944 -1.5540 -1.5540 -1.5494 -1.5494 -1.2246 -1.2246 -1.2241 -1.2241 -1.0541 -1.0541 -1.0376 -1.0376 -0.9743 -0.9743 -0.9609 -0.9609 0.3801 0.3801 0.3887 0.3887 0.6008 0.6008 0.6101 0.6101 0.7482 0.7482 0.7535 0.7535 8.0412 8.0412 8.0414 8.0414 10.4965 10.4965 10.5115 10.5115 10.7716 10.7716 10.7853 10.7853 k =-0.0667 0.0666 0.3574 ( 6534 PWs) bands (ev): -19.3921 -19.3921 -19.3920 -19.3920 -16.9550 -16.9550 -16.9535 -16.9535 -16.6695 -16.6695 -16.6651 -16.6651 -16.6541 -16.6541 -16.6496 -16.6496 -7.7351 -7.7351 -7.7348 -7.7348 -5.2143 -5.2143 -5.2114 -5.2114 -4.6467 -4.6467 -4.6398 -4.6398 -4.5219 -4.5219 -4.5167 -4.5167 -1.8998 -1.8998 -1.8974 -1.8974 -1.5647 -1.5647 -1.5595 -1.5595 -1.2281 -1.2281 -1.2277 -1.2277 -1.0559 -1.0559 -1.0397 -1.0397 -0.9612 -0.9612 -0.9484 -0.9484 0.3714 0.3714 0.3799 0.3799 0.5927 0.5927 0.6023 0.6023 0.7550 0.7550 0.7605 0.7605 8.0593 8.0593 8.0595 8.0595 10.4795 10.4795 10.4942 10.4942 10.7878 10.7878 10.8018 10.8018 k =-0.0778 0.0777 0.3574 ( 6530 PWs) bands (ev): -19.3901 -19.3901 -19.3900 -19.3900 -16.9570 -16.9570 -16.9553 -16.9553 -16.6715 -16.6715 -16.6668 -16.6668 -16.6548 -16.6548 -16.6499 -16.6499 -7.7257 -7.7257 -7.7254 -7.7254 -5.2159 -5.2159 -5.2126 -5.2126 -4.6453 -4.6453 -4.6382 -4.6382 -4.5201 -4.5201 -4.5148 -4.5148 -1.9040 -1.9040 -1.9013 -1.9013 -1.5760 -1.5760 -1.5701 -1.5701 -1.2325 -1.2325 -1.2320 -1.2320 -1.0571 -1.0571 -1.0411 -1.0411 -0.9476 -0.9476 -0.9354 -0.9354 0.3615 0.3615 0.3698 0.3698 0.5840 0.5840 0.5936 0.5936 0.7623 0.7623 0.7679 0.7679 8.0806 8.0806 8.0808 8.0808 10.4618 10.4618 10.4763 10.4763 10.8047 10.8047 10.8188 10.8188 k =-0.0889 0.0888 0.3574 ( 6526 PWs) bands (ev): -19.3879 -19.3879 -19.3878 -19.3878 -16.9593 -16.9593 -16.9573 -16.9573 -16.6738 -16.6738 -16.6689 -16.6689 -16.6555 -16.6555 -16.6503 -16.6503 -7.7150 -7.7150 -7.7146 -7.7146 -5.2180 -5.2180 -5.2143 -5.2143 -4.6436 -4.6436 -4.6362 -4.6362 -4.5179 -4.5179 -4.5127 -4.5127 -1.9093 -1.9093 -1.9062 -1.9062 -1.5873 -1.5873 -1.5808 -1.5808 -1.2377 -1.2377 -1.2371 -1.2371 -1.0575 -1.0575 -1.0419 -1.0419 -0.9338 -0.9338 -0.9222 -0.9222 0.3505 0.3505 0.3585 0.3585 0.5747 0.5747 0.5843 0.5843 0.7699 0.7699 0.7754 0.7754 8.1051 8.1051 8.1054 8.1054 10.4438 10.4438 10.4581 10.4581 10.8220 10.8220 10.8361 10.8361 k =-0.1000 0.0999 0.3574 ( 6518 PWs) bands (ev): -19.3853 -19.3853 -19.3852 -19.3852 -16.9619 -16.9619 -16.9596 -16.9596 -16.6763 -16.6763 -16.6711 -16.6711 -16.6562 -16.6562 -16.6508 -16.6508 -7.7028 -7.7028 -7.7025 -7.7025 -5.2207 -5.2207 -5.2166 -5.2166 -4.6414 -4.6414 -4.6338 -4.6338 -4.5154 -4.5154 -4.5101 -4.5101 -1.9157 -1.9157 -1.9123 -1.9123 -1.5983 -1.5983 -1.5913 -1.5913 -1.2438 -1.2438 -1.2430 -1.2430 -1.0574 -1.0574 -1.0422 -1.0422 -0.9201 -0.9201 -0.9090 -0.9090 0.3385 0.3385 0.3463 0.3463 0.5649 0.5649 0.5744 0.5744 0.7775 0.7775 0.7830 0.7830 8.1328 8.1328 8.1331 8.1331 10.4259 10.4259 10.4399 10.4399 10.8393 10.8393 10.8535 10.8535 k =-0.1111 0.1110 0.3574 ( 6534 PWs) bands (ev): -19.3825 -19.3825 -19.3824 -19.3824 -16.9647 -16.9647 -16.9622 -16.9622 -16.6789 -16.6789 -16.6737 -16.6737 -16.6570 -16.6570 -16.6515 -16.6515 -7.6893 -7.6893 -7.6890 -7.6890 -5.2243 -5.2243 -5.2197 -5.2197 -4.6386 -4.6386 -4.6308 -4.6308 -4.5125 -4.5125 -4.5072 -4.5072 -1.9233 -1.9233 -1.9196 -1.9196 -1.6086 -1.6086 -1.6012 -1.6012 -1.2508 -1.2508 -1.2497 -1.2497 -1.0568 -1.0568 -1.0420 -1.0420 -0.9066 -0.9066 -0.8959 -0.8959 0.3257 0.3257 0.3332 0.3332 0.5546 0.5546 0.5640 0.5640 0.7851 0.7851 0.7904 0.7904 8.1636 8.1636 8.1640 8.1640 10.4082 10.4082 10.4219 10.4219 10.8565 10.8565 10.8705 10.8705 k =-0.1222 0.1221 0.3574 ( 6540 PWs) bands (ev): -19.3794 -19.3794 -19.3793 -19.3793 -16.9677 -16.9677 -16.9650 -16.9650 -16.6818 -16.6818 -16.6764 -16.6764 -16.6578 -16.6578 -16.6522 -16.6522 -7.6745 -7.6745 -7.6741 -7.6741 -5.2287 -5.2287 -5.2238 -5.2238 -4.6352 -4.6352 -4.6273 -4.6273 -4.5092 -4.5092 -4.5040 -4.5040 -1.9322 -1.9322 -1.9281 -1.9281 -1.6179 -1.6179 -1.6102 -1.6102 -1.2587 -1.2587 -1.2573 -1.2573 -1.0558 -1.0558 -1.0414 -1.0414 -0.8934 -0.8934 -0.8831 -0.8831 0.3121 0.3121 0.3194 0.3194 0.5440 0.5440 0.5532 0.5532 0.7925 0.7925 0.7976 0.7976 8.1975 8.1975 8.1980 8.1980 10.3908 10.3908 10.4043 10.4043 10.8732 10.8732 10.8871 10.8871 k =-0.1333 0.1332 0.3574 ( 6532 PWs) bands (ev): -19.3761 -19.3761 -19.3759 -19.3759 -16.9710 -16.9710 -16.9681 -16.9681 -16.6848 -16.6848 -16.6793 -16.6793 -16.6587 -16.6587 -16.6531 -16.6531 -7.6584 -7.6584 -7.6580 -7.6580 -5.2341 -5.2341 -5.2289 -5.2289 -4.6311 -4.6311 -4.6230 -4.6230 -4.5056 -4.5056 -4.5004 -4.5004 -1.9422 -1.9422 -1.9379 -1.9379 -1.6260 -1.6260 -1.6181 -1.6181 -1.2674 -1.2674 -1.2656 -1.2656 -1.0544 -1.0544 -1.0404 -1.0404 -0.8807 -0.8807 -0.8707 -0.8707 0.2980 0.2980 0.3051 0.3051 0.5332 0.5332 0.5421 0.5421 0.7995 0.7995 0.8045 0.8045 8.2345 8.2345 8.2350 8.2350 10.3740 10.3740 10.3873 10.3873 10.8892 10.8892 10.9030 10.9030 k =-0.1444 0.1443 0.3574 ( 6524 PWs) bands (ev): -19.3725 -19.3725 -19.3724 -19.3724 -16.9745 -16.9745 -16.9714 -16.9714 -16.6879 -16.6879 -16.6824 -16.6824 -16.6597 -16.6597 -16.6540 -16.6540 -7.6410 -7.6410 -7.6406 -7.6406 -5.2406 -5.2406 -5.2352 -5.2352 -4.6261 -4.6261 -4.6180 -4.6180 -4.5015 -4.5015 -4.4963 -4.4963 -1.9533 -1.9533 -1.9489 -1.9489 -1.6329 -1.6329 -1.6248 -1.6248 -1.2769 -1.2769 -1.2749 -1.2749 -1.0527 -1.0527 -1.0391 -1.0391 -0.8686 -0.8686 -0.8589 -0.8589 0.2835 0.2835 0.2904 0.2904 0.5221 0.5221 0.5307 0.5307 0.8062 0.8062 0.8110 0.8110 8.2745 8.2745 8.2750 8.2750 10.3579 10.3579 10.3708 10.3708 10.9043 10.9043 10.9179 10.9179 k =-0.1556 0.1554 0.3574 ( 6516 PWs) bands (ev): -19.3688 -19.3688 -19.3686 -19.3686 -16.9782 -16.9782 -16.9750 -16.9750 -16.6912 -16.6912 -16.6857 -16.6857 -16.6607 -16.6607 -16.6549 -16.6549 -7.6223 -7.6223 -7.6219 -7.6219 -5.2485 -5.2485 -5.2429 -5.2429 -4.6203 -4.6203 -4.6122 -4.6122 -4.4971 -4.4971 -4.4919 -4.4919 -1.9654 -1.9654 -1.9608 -1.9608 -1.6386 -1.6386 -1.6304 -1.6304 -1.2873 -1.2873 -1.2849 -1.2849 -1.0508 -1.0508 -1.0375 -1.0375 -0.8573 -0.8573 -0.8479 -0.8479 0.2688 0.2688 0.2755 0.2755 0.5108 0.5108 0.5193 0.5193 0.8123 0.8123 0.8170 0.8170 8.3173 8.3173 8.3180 8.3180 10.3425 10.3425 10.3551 10.3551 10.9181 10.9181 10.9313 10.9313 k =-0.1667 0.1665 0.3574 ( 6504 PWs) bands (ev): -19.3648 -19.3648 -19.3646 -19.3646 -16.9822 -16.9822 -16.9787 -16.9787 -16.6946 -16.6946 -16.6891 -16.6891 -16.6618 -16.6618 -16.6560 -16.6560 -7.6025 -7.6025 -7.6020 -7.6020 -5.2577 -5.2577 -5.2519 -5.2519 -4.6136 -4.6136 -4.6056 -4.6056 -4.4923 -4.4923 -4.4871 -4.4871 -1.9782 -1.9782 -1.9736 -1.9736 -1.6431 -1.6431 -1.6349 -1.6349 -1.2985 -1.2985 -1.2958 -1.2958 -1.0486 -1.0486 -1.0357 -1.0357 -0.8469 -0.8469 -0.8376 -0.8376 0.2539 0.2539 0.2605 0.2605 0.4996 0.4996 0.5077 0.5077 0.8179 0.8179 0.8224 0.8224 8.3631 8.3631 8.3638 8.3638 10.3279 10.3279 10.3403 10.3403 10.9302 10.9302 10.9430 10.9430 k =-0.1778 0.1777 0.3574 ( 6524 PWs) bands (ev): -19.3607 -19.3607 -19.3605 -19.3605 -16.9863 -16.9863 -16.9827 -16.9827 -16.6981 -16.6981 -16.6926 -16.6926 -16.6629 -16.6629 -16.6571 -16.6571 -7.5815 -7.5815 -7.5810 -7.5810 -5.2684 -5.2684 -5.2625 -5.2625 -4.6059 -4.6059 -4.5980 -4.5980 -4.4871 -4.4871 -4.4820 -4.4820 -1.9915 -1.9915 -1.9869 -1.9869 -1.6465 -1.6465 -1.6384 -1.6384 -1.3106 -1.3106 -1.3075 -1.3075 -1.0463 -1.0463 -1.0337 -1.0337 -0.8374 -0.8374 -0.8283 -0.8283 0.2392 0.2392 0.2456 0.2456 0.4883 0.4883 0.4962 0.4962 0.8228 0.8228 0.8272 0.8272 8.4116 8.4116 8.4124 8.4124 10.3142 10.3142 10.3263 10.3263 10.9402 10.9402 10.9525 10.9525 k =-0.1889 0.1888 0.3574 ( 6532 PWs) bands (ev): -19.3564 -19.3564 -19.3562 -19.3562 -16.9906 -16.9906 -16.9868 -16.9868 -16.7017 -16.7017 -16.6962 -16.6962 -16.6640 -16.6640 -16.6582 -16.6582 -7.5593 -7.5593 -7.5588 -7.5588 -5.2807 -5.2807 -5.2746 -5.2746 -4.5972 -4.5972 -4.5895 -4.5895 -4.4814 -4.4814 -4.4764 -4.4764 -2.0051 -2.0051 -2.0005 -2.0005 -1.6490 -1.6490 -1.6410 -1.6410 -1.3236 -1.3236 -1.3201 -1.3201 -1.0439 -1.0439 -1.0316 -1.0316 -0.8289 -0.8289 -0.8199 -0.8199 0.2247 0.2247 0.2311 0.2311 0.4771 0.4771 0.4848 0.4848 0.8270 0.8270 0.8312 0.8312 8.4629 8.4629 8.4637 8.4637 10.3014 10.3014 10.3132 10.3132 10.9479 10.9479 10.9595 10.9595 k =-0.2000 0.1999 0.3574 ( 6524 PWs) bands (ev): -19.3520 -19.3520 -19.3517 -19.3517 -16.9950 -16.9950 -16.9911 -16.9911 -16.7054 -16.7054 -16.6999 -16.6999 -16.6652 -16.6652 -16.6594 -16.6594 -7.5361 -7.5361 -7.5356 -7.5356 -5.2945 -5.2945 -5.2884 -5.2884 -4.5875 -4.5875 -4.5800 -4.5800 -4.4755 -4.4755 -4.4704 -4.4704 -2.0187 -2.0187 -2.0142 -2.0142 -1.6507 -1.6507 -1.6429 -1.6429 -1.3373 -1.3373 -1.3334 -1.3334 -1.0415 -1.0415 -1.0295 -1.0295 -0.8214 -0.8214 -0.8125 -0.8125 0.2106 0.2106 0.2170 0.2170 0.4660 0.4660 0.4736 0.4736 0.8303 0.8303 0.8344 0.8344 8.5167 8.5167 8.5176 8.5176 10.2896 10.2896 10.3011 10.3011 10.9529 10.9529 10.9637 10.9637 k =-0.2111 0.2110 0.3574 ( 6524 PWs) bands (ev): -19.3474 -19.3474 -19.3472 -19.3472 -16.9996 -16.9996 -16.9956 -16.9956 -16.7091 -16.7091 -16.7037 -16.7037 -16.6664 -16.6664 -16.6607 -16.6607 -7.5119 -7.5119 -7.5113 -7.5113 -5.3100 -5.3100 -5.3039 -5.3039 -4.5769 -4.5769 -4.5696 -4.5696 -4.4691 -4.4691 -4.4641 -4.4641 -2.0322 -2.0322 -2.0277 -2.0277 -1.6518 -1.6518 -1.6443 -1.6443 -1.3518 -1.3518 -1.3475 -1.3475 -1.0390 -1.0390 -1.0274 -1.0274 -0.8151 -0.8151 -0.8062 -0.8062 0.1972 0.1972 0.2035 0.2035 0.4552 0.4552 0.4626 0.4626 0.8328 0.8328 0.8368 0.8368 8.5732 8.5732 8.5741 8.5741 10.2788 10.2788 10.2900 10.2900 10.9554 10.9554 10.9651 10.9651 k =-0.2222 0.2221 0.3574 ( 6528 PWs) bands (ev): -19.3427 -19.3427 -19.3425 -19.3425 -17.0043 -17.0043 -17.0001 -17.0001 -16.7128 -16.7128 -16.7074 -16.7074 -16.6677 -16.6677 -16.6619 -16.6619 -7.4867 -7.4867 -7.4861 -7.4861 -5.3271 -5.3271 -5.3209 -5.3209 -4.5654 -4.5654 -4.5584 -4.5584 -4.4624 -4.4624 -4.4574 -4.4574 -2.0452 -2.0452 -2.0408 -2.0408 -1.6525 -1.6525 -1.6452 -1.6452 -1.3671 -1.3671 -1.3624 -1.3624 -1.0368 -1.0368 -1.0255 -1.0255 -0.8098 -0.8098 -0.8010 -0.8010 0.1845 0.1845 0.1909 0.1909 0.4447 0.4447 0.4520 0.4520 0.8343 0.8343 0.8382 0.8382 8.6320 8.6320 8.6330 8.6330 10.2691 10.2691 10.2799 10.2799 10.9556 10.9556 10.9641 10.9641 k =-0.2333 0.2332 0.3574 ( 6532 PWs) bands (ev): -19.3380 -19.3380 -19.3377 -19.3377 -17.0091 -17.0091 -17.0048 -17.0048 -16.7165 -16.7165 -16.7113 -16.7113 -16.6690 -16.6690 -16.6632 -16.6632 -7.4605 -7.4605 -7.4599 -7.4599 -5.3458 -5.3458 -5.3397 -5.3397 -4.5531 -4.5531 -4.5464 -4.5464 -4.4554 -4.4554 -4.4503 -4.4503 -2.0577 -2.0577 -2.0534 -2.0534 -1.6529 -1.6529 -1.6459 -1.6459 -1.3831 -1.3831 -1.3780 -1.3780 -1.0347 -1.0347 -1.0238 -1.0238 -0.8055 -0.8055 -0.7968 -0.7968 0.1729 0.1729 0.1793 0.1793 0.4346 0.4346 0.4418 0.4418 0.8349 0.8349 0.8387 0.8387 8.6932 8.6932 8.6943 8.6943 10.2603 10.2603 10.2708 10.2708 10.9540 10.9540 10.9610 10.9610 k =-0.2444 0.2443 0.3574 ( 6528 PWs) bands (ev): -19.3332 -19.3332 -19.3329 -19.3329 -17.0140 -17.0140 -17.0096 -17.0096 -16.7203 -16.7203 -16.7151 -16.7151 -16.6702 -16.6702 -16.6645 -16.6645 -7.4335 -7.4335 -7.4329 -7.4329 -5.3660 -5.3660 -5.3599 -5.3599 -4.5401 -4.5401 -4.5337 -4.5337 -4.4480 -4.4480 -4.4429 -4.4429 -2.0694 -2.0694 -2.0651 -2.0651 -1.6532 -1.6532 -1.6465 -1.6465 -1.3998 -1.3998 -1.3942 -1.3942 -1.0331 -1.0331 -1.0225 -1.0225 -0.8023 -0.8023 -0.7936 -0.7936 0.1623 0.1623 0.1689 0.1689 0.4250 0.4250 0.4321 0.4321 0.8344 0.8344 0.8382 0.8382 8.7565 8.7565 8.7577 8.7577 10.2525 10.2525 10.2627 10.2627 10.9512 10.9512 10.9568 10.9568 k =-0.2556 0.2554 0.3574 ( 6516 PWs) bands (ev): -19.3283 -19.3283 -19.3281 -19.3281 -17.0189 -17.0189 -17.0144 -17.0144 -16.7240 -16.7240 -16.7189 -16.7189 -16.6715 -16.6715 -16.6658 -16.6658 -7.4057 -7.4057 -7.4051 -7.4051 -5.3877 -5.3877 -5.3817 -5.3817 -4.5264 -4.5264 -4.5204 -4.5204 -4.4402 -4.4402 -4.4351 -4.4351 -2.0801 -2.0801 -2.0760 -2.0760 -1.6535 -1.6535 -1.6470 -1.6470 -1.4170 -1.4170 -1.4109 -1.4109 -1.0319 -1.0319 -1.0216 -1.0216 -0.8001 -0.8001 -0.7914 -0.7914 0.1530 0.1530 0.1597 0.1597 0.4159 0.4159 0.4229 0.4229 0.8329 0.8329 0.8366 0.8366 8.8220 8.8220 8.8232 8.8232 10.2457 10.2457 10.2556 10.2556 10.9478 10.9478 10.9521 10.9521 k =-0.2667 0.2665 0.3574 ( 6512 PWs) bands (ev): -19.3235 -19.3235 -19.3232 -19.3232 -17.0238 -17.0238 -17.0193 -17.0193 -16.7276 -16.7276 -16.7226 -16.7226 -16.6728 -16.6728 -16.6671 -16.6671 -7.3772 -7.3772 -7.3765 -7.3765 -5.4108 -5.4108 -5.4049 -5.4049 -4.5124 -4.5124 -4.5067 -4.5067 -4.4322 -4.4322 -4.4268 -4.4268 -2.0899 -2.0899 -2.0858 -2.0858 -1.6540 -1.6540 -1.6478 -1.6478 -1.4346 -1.4346 -1.4281 -1.4281 -1.0315 -1.0315 -1.0215 -1.0215 -0.7987 -0.7987 -0.7901 -0.7901 0.1451 0.1451 0.1520 0.1520 0.4073 0.4073 0.4143 0.4143 0.8303 0.8303 0.8340 0.8340 8.8893 8.8893 8.8906 8.8906 10.2399 10.2399 10.2494 10.2494 10.9444 10.9444 10.9474 10.9474 k =-0.2778 0.2776 0.3574 ( 6510 PWs) bands (ev): -19.3187 -19.3187 -19.3183 -19.3183 -17.0288 -17.0288 -17.0242 -17.0242 -16.7312 -16.7312 -16.7263 -16.7263 -16.6741 -16.6741 -16.6684 -16.6684 -7.3480 -7.3480 -7.3473 -7.3473 -5.4353 -5.4353 -5.4294 -5.4294 -4.4981 -4.4981 -4.4927 -4.4927 -4.4237 -4.4237 -4.4182 -4.4182 -2.0985 -2.0985 -2.0945 -2.0945 -1.6548 -1.6548 -1.6489 -1.6489 -1.4524 -1.4524 -1.4455 -1.4455 -1.0318 -1.0318 -1.0221 -1.0221 -0.7980 -0.7980 -0.7895 -0.7895 0.1387 0.1387 0.1458 0.1458 0.3994 0.3994 0.4065 0.4065 0.8266 0.8266 0.8302 0.8302 8.9583 8.9583 8.9597 8.9597 10.2351 10.2351 10.2443 10.2443 10.9413 10.9413 10.9433 10.9433 k =-0.2889 0.2887 0.3574 ( 6508 PWs) bands (ev): -19.3139 -19.3139 -19.3135 -19.3135 -17.0337 -17.0337 -17.0291 -17.0291 -16.7347 -16.7347 -16.7300 -16.7300 -16.6753 -16.6753 -16.6697 -16.6697 -7.3183 -7.3183 -7.3175 -7.3175 -5.4609 -5.4609 -5.4551 -5.4551 -4.4837 -4.4837 -4.4786 -4.4786 -4.4148 -4.4148 -4.4091 -4.4091 -2.1059 -2.1059 -2.1019 -2.1019 -1.6562 -1.6562 -1.6506 -1.6506 -1.4701 -1.4701 -1.4629 -1.4629 -1.0332 -1.0332 -1.0237 -1.0237 -0.7979 -0.7979 -0.7894 -0.7894 0.1338 0.1338 0.1411 0.1411 0.3922 0.3922 0.3993 0.3993 0.8218 0.8218 0.8254 0.8254 9.0289 9.0289 9.0304 9.0304 10.2313 10.2313 10.2401 10.2401 10.9388 10.9388 10.9402 10.9402 k =-0.3000 0.2998 0.3574 ( 6518 PWs) bands (ev): -19.3091 -19.3091 -19.3088 -19.3088 -17.0386 -17.0386 -17.0340 -17.0340 -16.7381 -16.7381 -16.7335 -16.7335 -16.6766 -16.6766 -16.6709 -16.6709 -7.2881 -7.2881 -7.2873 -7.2873 -5.4876 -5.4876 -5.4818 -5.4818 -4.4696 -4.4696 -4.4647 -4.4647 -4.4053 -4.4053 -4.3994 -4.3994 -2.1119 -2.1119 -2.1080 -2.1080 -1.6584 -1.6584 -1.6531 -1.6531 -1.4875 -1.4875 -1.4800 -1.4800 -1.0357 -1.0357 -1.0264 -1.0264 -0.7982 -0.7982 -0.7898 -0.7898 0.1305 0.1305 0.1380 0.1380 0.3857 0.3857 0.3930 0.3930 0.8159 0.8159 0.8194 0.8194 9.1008 9.1008 9.1023 9.1023 10.2285 10.2285 10.2370 10.2370 10.9367 10.9367 10.9384 10.9384 k =-0.3111 0.3109 0.3574 ( 6502 PWs) bands (ev): -19.3044 -19.3044 -19.3041 -19.3041 -17.0435 -17.0435 -17.0388 -17.0388 -16.7414 -16.7414 -16.7370 -16.7370 -16.6778 -16.6778 -16.6721 -16.6721 -7.2575 -7.2575 -7.2567 -7.2567 -5.5151 -5.5151 -5.5095 -5.5095 -4.4559 -4.4559 -4.4512 -4.4512 -4.3953 -4.3953 -4.3892 -4.3892 -2.1166 -2.1166 -2.1128 -2.1128 -1.6619 -1.6619 -1.6569 -1.6569 -1.5040 -1.5040 -1.4963 -1.4963 -1.0395 -1.0395 -1.0303 -1.0303 -0.7987 -0.7987 -0.7903 -0.7903 0.1287 0.1287 0.1365 0.1365 0.3801 0.3801 0.3875 0.3875 0.8090 0.8090 0.8123 0.8123 9.1737 9.1737 9.1753 9.1753 10.2268 10.2268 10.2350 10.2350 10.9353 10.9353 10.9379 10.9379 k =-0.3222 0.3220 0.3574 ( 6506 PWs) bands (ev): -19.2999 -19.2999 -19.2995 -19.2995 -17.0482 -17.0482 -17.0435 -17.0435 -16.7446 -16.7446 -16.7404 -16.7404 -16.6789 -16.6789 -16.6733 -16.6733 -7.2268 -7.2268 -7.2259 -7.2259 -5.5435 -5.5435 -5.5379 -5.5379 -4.4429 -4.4429 -4.4384 -4.4384 -4.3846 -4.3846 -4.3783 -4.3783 -2.1199 -2.1199 -2.1161 -2.1161 -1.6670 -1.6670 -1.6623 -1.6623 -1.5191 -1.5191 -1.5114 -1.5114 -1.0447 -1.0447 -1.0356 -1.0356 -0.7993 -0.7993 -0.7910 -0.7910 0.1283 0.1283 0.1364 0.1364 0.3754 0.3754 0.3830 0.3830 0.8009 0.8009 0.8042 0.8042 9.2474 9.2474 9.2490 9.2490 10.2263 10.2263 10.2342 10.2342 10.9346 10.9346 10.9381 10.9381 k =-0.3333 0.3331 0.3574 ( 6510 PWs) bands (ev): -19.2955 -19.2955 -19.2951 -19.2951 -17.0528 -17.0528 -17.0480 -17.0480 -16.7476 -16.7476 -16.7436 -16.7436 -16.6801 -16.6801 -16.6745 -16.6745 -7.1959 -7.1959 -7.1949 -7.1949 -5.5724 -5.5724 -5.5668 -5.5668 -4.4308 -4.4308 -4.4265 -4.4265 -4.3731 -4.3731 -4.3669 -4.3669 -2.1218 -2.1218 -2.1180 -2.1180 -1.6744 -1.6744 -1.6699 -1.6699 -1.5322 -1.5322 -1.5248 -1.5248 -1.0513 -1.0513 -1.0423 -1.0423 -0.7997 -0.7997 -0.7916 -0.7916 0.1293 0.1293 0.1377 0.1377 0.3717 0.3717 0.3794 0.3794 0.7918 0.7918 0.7951 0.7951 9.3214 9.3214 9.3231 9.3231 10.2271 10.2271 10.2347 10.2347 10.9342 10.9342 10.9387 10.9387 k =-0.3444 0.3442 0.3574 ( 6506 PWs) bands (ev): -19.2912 -19.2912 -19.2908 -19.2908 -17.0573 -17.0573 -17.0525 -17.0525 -16.7505 -16.7505 -16.7467 -16.7467 -16.6812 -16.6812 -16.6756 -16.6756 -7.1650 -7.1650 -7.1640 -7.1640 -5.6016 -5.6016 -5.5961 -5.5961 -4.4196 -4.4196 -4.4156 -4.4156 -4.3609 -4.3609 -4.3548 -4.3548 -2.1222 -2.1222 -2.1185 -2.1185 -1.6843 -1.6843 -1.6801 -1.6801 -1.5429 -1.5429 -1.5359 -1.5359 -1.0592 -1.0592 -1.0502 -1.0502 -0.8000 -0.8000 -0.7921 -0.7921 0.1316 0.1316 0.1401 0.1401 0.3690 0.3690 0.3769 0.3769 0.7817 0.7817 0.7849 0.7849 9.3952 9.3952 9.3971 9.3971 10.2294 10.2294 10.2367 10.2367 10.9338 10.9338 10.9390 10.9390 k =-0.3556 0.3553 0.3574 ( 6502 PWs) bands (ev): -19.2871 -19.2871 -19.2867 -19.2867 -17.0615 -17.0615 -17.0568 -17.0568 -16.7532 -16.7532 -16.7496 -16.7496 -16.6822 -16.6822 -16.6767 -16.6767 -7.1344 -7.1344 -7.1333 -7.1333 -5.6310 -5.6310 -5.6256 -5.6256 -4.4095 -4.4095 -4.4058 -4.4058 -4.3483 -4.3483 -4.3424 -4.3424 -2.1212 -2.1212 -2.1175 -2.1175 -1.6970 -1.6970 -1.6928 -1.6928 -1.5507 -1.5507 -1.5445 -1.5445 -1.0684 -1.0684 -1.0594 -1.0594 -0.8000 -0.8000 -0.7923 -0.7923 0.1348 0.1348 0.1436 0.1436 0.3674 0.3674 0.3755 0.3755 0.7707 0.7707 0.7738 0.7738 9.4684 9.4684 9.4703 9.4703 10.2336 10.2336 10.2407 10.2407 10.9327 10.9327 10.9384 10.9384 k =-0.3667 0.3664 0.3574 ( 6514 PWs) bands (ev): -19.2832 -19.2832 -19.2828 -19.2828 -17.0656 -17.0656 -17.0609 -17.0609 -16.7558 -16.7558 -16.7524 -16.7524 -16.6832 -16.6832 -16.6777 -16.6777 -7.1041 -7.1041 -7.1029 -7.1029 -5.6604 -5.6604 -5.6549 -5.6549 -4.4003 -4.4003 -4.3969 -4.3969 -4.3353 -4.3353 -4.3298 -4.3298 -2.1187 -2.1187 -2.1151 -2.1151 -1.7123 -1.7123 -1.7079 -1.7079 -1.5560 -1.5560 -1.5506 -1.5506 -1.0787 -1.0787 -1.0697 -1.0697 -0.7997 -0.7997 -0.7924 -0.7924 0.1389 0.1389 0.1479 0.1479 0.3670 0.3670 0.3754 0.3754 0.7588 0.7588 0.7619 0.7619 9.5402 9.5402 9.5422 9.5422 10.2401 10.2401 10.2470 10.2470 10.9302 10.9302 10.9361 10.9361 k =-0.3778 0.3775 0.3574 ( 6510 PWs) bands (ev): -19.2796 -19.2796 -19.2792 -19.2792 -17.0695 -17.0695 -17.0647 -17.0647 -16.7582 -16.7582 -16.7550 -16.7550 -16.6841 -16.6841 -16.6786 -16.6786 -7.0745 -7.0745 -7.0732 -7.0732 -5.6894 -5.6894 -5.6840 -5.6840 -4.3921 -4.3921 -4.3889 -4.3889 -4.3224 -4.3224 -4.3173 -4.3173 -2.1148 -2.1148 -2.1112 -2.1112 -1.7299 -1.7299 -1.7250 -1.7250 -1.5591 -1.5591 -1.5545 -1.5545 -1.0899 -1.0899 -1.0808 -1.0808 -0.7991 -0.7991 -0.7921 -0.7921 0.1436 0.1436 0.1527 0.1527 0.3679 0.3679 0.3765 0.3765 0.7462 0.7462 0.7492 0.7492 9.6097 9.6097 9.6118 9.6118 10.2495 10.2495 10.2562 10.2562 10.9260 10.9260 10.9319 10.9319 k =-0.3889 0.3886 0.3574 ( 6498 PWs) bands (ev): -19.2761 -19.2761 -19.2757 -19.2757 -17.0731 -17.0731 -17.0683 -17.0683 -16.7604 -16.7604 -16.7574 -16.7574 -16.6850 -16.6850 -16.6795 -16.6795 -7.0457 -7.0457 -7.0443 -7.0443 -5.7178 -5.7178 -5.7123 -5.7123 -4.3847 -4.3847 -4.3818 -4.3818 -4.3098 -4.3098 -4.3050 -4.3050 -2.1095 -2.1095 -2.1060 -2.1060 -1.7492 -1.7492 -1.7437 -1.7437 -1.5603 -1.5603 -1.5565 -1.5565 -1.1017 -1.1017 -1.0925 -1.0925 -0.7982 -0.7982 -0.7917 -0.7917 0.1487 0.1487 0.1578 0.1578 0.3701 0.3701 0.3789 0.3789 0.7329 0.7329 0.7359 0.7359 9.6757 9.6757 9.6780 9.6780 10.2626 10.2626 10.2691 10.2691 10.9202 10.9202 10.9260 10.9260 k =-0.4000 0.3997 0.3574 ( 6498 PWs) bands (ev): -19.2730 -19.2730 -19.2726 -19.2726 -17.0764 -17.0764 -17.0717 -17.0717 -16.7623 -16.7623 -16.7597 -16.7597 -16.6857 -16.6857 -16.6803 -16.6803 -7.0180 -7.0180 -7.0165 -7.0165 -5.7453 -5.7453 -5.7398 -5.7398 -4.3781 -4.3781 -4.3754 -4.3754 -4.2977 -4.2977 -4.2933 -4.2933 -2.1029 -2.1029 -2.0994 -2.0994 -1.7695 -1.7695 -1.7634 -1.7634 -1.5603 -1.5603 -1.5570 -1.5570 -1.1138 -1.1138 -1.1045 -1.1045 -0.7972 -0.7972 -0.7911 -0.7911 0.1539 0.1539 0.1630 0.1630 0.3736 0.3736 0.3825 0.3825 0.7191 0.7191 0.7221 0.7221 9.7370 9.7370 9.7395 9.7395 10.2803 10.2803 10.2867 10.2867 10.9130 10.9130 10.9187 10.9187 k =-0.4111 0.4108 0.3574 ( 6510 PWs) bands (ev): -19.2701 -19.2701 -19.2697 -19.2697 -17.0795 -17.0795 -17.0747 -17.0747 -16.7641 -16.7641 -16.7617 -16.7617 -16.6865 -16.6865 -16.6810 -16.6810 -6.9917 -6.9917 -6.9901 -6.9901 -5.7715 -5.7715 -5.7660 -5.7660 -4.3722 -4.3722 -4.3697 -4.3697 -4.2863 -4.2863 -4.2823 -4.2823 -2.0950 -2.0950 -2.0916 -2.0916 -1.7905 -1.7905 -1.7837 -1.7837 -1.5593 -1.5593 -1.5563 -1.5563 -1.1259 -1.1259 -1.1165 -1.1165 -0.7961 -0.7961 -0.7905 -0.7905 0.1589 0.1589 0.1679 0.1679 0.3784 0.3784 0.3875 0.3875 0.7051 0.7051 0.7080 0.7080 9.7922 9.7922 9.7949 9.7949 10.3036 10.3036 10.3099 10.3099 10.9048 10.9048 10.9107 10.9107 k =-0.4222 0.4219 0.3574 ( 6514 PWs) bands (ev): -19.2675 -19.2675 -19.2671 -19.2671 -17.0822 -17.0822 -17.0775 -17.0775 -16.7657 -16.7657 -16.7636 -16.7636 -16.6871 -16.6871 -16.6817 -16.6817 -6.9672 -6.9672 -6.9654 -6.9654 -5.7961 -5.7961 -5.7905 -5.7905 -4.3670 -4.3670 -4.3646 -4.3646 -4.2758 -4.2758 -4.2722 -4.2722 -2.0859 -2.0859 -2.0826 -2.0826 -1.8116 -1.8116 -1.8043 -1.8043 -1.5578 -1.5578 -1.5548 -1.5548 -1.1377 -1.1377 -1.1282 -1.1282 -0.7949 -0.7949 -0.7898 -0.7898 0.1637 0.1637 0.1725 0.1725 0.3843 0.3843 0.3935 0.3935 0.6909 0.6909 0.6938 0.6938 9.8399 9.8399 9.8429 9.8429 10.3332 10.3332 10.3395 10.3395 10.8957 10.8957 10.9021 10.9021 k =-0.4333 0.4330 0.3574 ( 6518 PWs) bands (ev): -19.2652 -19.2652 -19.2648 -19.2648 -17.0846 -17.0846 -17.0799 -17.0799 -16.7671 -16.7671 -16.7652 -16.7652 -16.6877 -16.6877 -16.6822 -16.6822 -6.9448 -6.9448 -6.9429 -6.9429 -5.8186 -5.8186 -5.8130 -5.8130 -4.3626 -4.3626 -4.3603 -4.3603 -4.2664 -4.2664 -4.2631 -4.2631 -2.0758 -2.0758 -2.0727 -2.0727 -1.8326 -1.8326 -1.8246 -1.8246 -1.5559 -1.5559 -1.5528 -1.5528 -1.1488 -1.1488 -1.1391 -1.1391 -0.7938 -0.7938 -0.7891 -0.7891 0.1680 0.1680 0.1766 0.1766 0.3912 0.3912 0.4005 0.4005 0.6770 0.6770 0.6799 0.6799 9.8795 9.8795 9.8827 9.8827 10.3694 10.3694 10.3756 10.3756 10.8858 10.8858 10.8929 10.8929 k =-0.4444 0.4441 0.3574 ( 6522 PWs) bands (ev): -19.2633 -19.2633 -19.2629 -19.2629 -17.0867 -17.0867 -17.0820 -17.0820 -16.7682 -16.7682 -16.7666 -16.7666 -16.6881 -16.6881 -16.6827 -16.6827 -6.9249 -6.9249 -6.9229 -6.9229 -5.8387 -5.8387 -5.8330 -5.8330 -4.3588 -4.3588 -4.3566 -4.3566 -4.2583 -4.2583 -4.2552 -4.2552 -2.0649 -2.0649 -2.0619 -2.0619 -1.8531 -1.8531 -1.8443 -1.8443 -1.5538 -1.5538 -1.5505 -1.5505 -1.1590 -1.1590 -1.1491 -1.1491 -0.7927 -0.7927 -0.7884 -0.7884 0.1718 0.1718 0.1801 0.1801 0.3986 0.3986 0.4080 0.4080 0.6636 0.6636 0.6666 0.6666 9.9108 9.9108 9.9142 9.9142 10.4113 10.4113 10.4175 10.4175 10.8746 10.8746 10.8825 10.8825 k =-0.4556 0.4552 0.3574 ( 6504 PWs) bands (ev): -19.2617 -19.2617 -19.2613 -19.2613 -17.0884 -17.0884 -17.0837 -17.0837 -16.7691 -16.7691 -16.7677 -16.7677 -16.6885 -16.6885 -16.6831 -16.6831 -6.9079 -6.9079 -6.9058 -6.9058 -5.8559 -5.8559 -5.8501 -5.8501 -4.3557 -4.3557 -4.3535 -4.3535 -4.2514 -4.2514 -4.2486 -4.2486 -2.0535 -2.0535 -2.0507 -2.0507 -1.8725 -1.8725 -1.8630 -1.8630 -1.5519 -1.5519 -1.5482 -1.5482 -1.1679 -1.1679 -1.1578 -1.1578 -0.7917 -0.7917 -0.7878 -0.7878 0.1749 0.1749 0.1829 0.1829 0.4061 0.4061 0.4157 0.4157 0.6513 0.6513 0.6543 0.6543 9.9344 9.9344 9.9379 9.9379 10.4572 10.4572 10.4634 10.4634 10.8613 10.8613 10.8698 10.8698 k =-0.4667 0.4663 0.3574 ( 6504 PWs) bands (ev): -19.2604 -19.2604 -19.2600 -19.2600 -17.0898 -17.0898 -17.0851 -17.0851 -16.7698 -16.7698 -16.7687 -16.7687 -16.6888 -16.6888 -16.6834 -16.6834 -6.8941 -6.8941 -6.8920 -6.8920 -5.8698 -5.8698 -5.8639 -5.8639 -4.3533 -4.3533 -4.3512 -4.3512 -4.2460 -4.2460 -4.2434 -4.2434 -2.0423 -2.0423 -2.0396 -2.0396 -1.8903 -1.8903 -1.8798 -1.8798 -1.5501 -1.5501 -1.5461 -1.5461 -1.1751 -1.1751 -1.1649 -1.1649 -0.7908 -0.7908 -0.7874 -0.7874 0.1773 0.1773 0.1851 0.1851 0.4130 0.4130 0.4228 0.4228 0.6405 0.6405 0.6437 0.6437 9.9514 9.9514 9.9550 9.9550 10.5043 10.5043 10.5106 10.5106 10.8450 10.8450 10.8533 10.8533 k =-0.4778 0.4774 0.3574 ( 6504 PWs) bands (ev): -19.2595 -19.2595 -19.2591 -19.2591 -17.0907 -17.0907 -17.0860 -17.0860 -16.7703 -16.7703 -16.7693 -16.7693 -16.6891 -16.6891 -16.6837 -16.6837 -6.8841 -6.8841 -6.8818 -6.8818 -5.8800 -5.8800 -5.8741 -5.8741 -4.3515 -4.3515 -4.3495 -4.3495 -4.2421 -4.2421 -4.2396 -4.2396 -2.0323 -2.0323 -2.0293 -2.0293 -1.9053 -1.9053 -1.8938 -1.8938 -1.5487 -1.5487 -1.5445 -1.5445 -1.1805 -1.1805 -1.1701 -1.1701 -0.7902 -0.7902 -0.7871 -0.7871 0.1791 0.1791 0.1867 0.1867 0.4188 0.4188 0.4287 0.4287 0.6320 0.6320 0.6354 0.6354 9.9626 9.9626 9.9663 9.9663 10.5483 10.5483 10.5547 10.5547 10.8258 10.8258 10.8327 10.8327 k =-0.4889 0.4885 0.3574 ( 6500 PWs) bands (ev): -19.2590 -19.2590 -19.2585 -19.2585 -17.0913 -17.0913 -17.0866 -17.0866 -16.7706 -16.7706 -16.7698 -16.7698 -16.6892 -16.6892 -16.6838 -16.6838 -6.8779 -6.8779 -6.8756 -6.8756 -5.8862 -5.8862 -5.8803 -5.8803 -4.3505 -4.3505 -4.3485 -4.3485 -4.2397 -4.2397 -4.2373 -4.2373 -2.0251 -2.0251 -2.0216 -2.0216 -1.9160 -1.9160 -1.9034 -1.9034 -1.5479 -1.5479 -1.5435 -1.5435 -1.1838 -1.1838 -1.1733 -1.1733 -0.7898 -0.7898 -0.7869 -0.7869 0.1801 0.1801 0.1876 0.1876 0.4226 0.4226 0.4327 0.4327 0.6266 0.6266 0.6301 0.6301 9.9691 9.9691 9.9727 9.9727 10.5825 10.5825 10.5890 10.5890 10.8080 10.8080 10.8121 10.8121 k =-0.5000 0.4996 0.3574 ( 6504 PWs) bands (ev): -19.2588 -19.2588 -19.2584 -19.2584 -17.0915 -17.0915 -17.0868 -17.0868 -16.7706 -16.7706 -16.7699 -16.7699 -16.6892 -16.6892 -16.6838 -16.6838 -6.8758 -6.8758 -6.8735 -6.8735 -5.8883 -5.8883 -5.8824 -5.8824 -4.3502 -4.3502 -4.3481 -4.3481 -4.2389 -4.2389 -4.2366 -4.2366 -2.0225 -2.0225 -2.0186 -2.0186 -1.9199 -1.9199 -1.9069 -1.9069 -1.5476 -1.5476 -1.5431 -1.5431 -1.1850 -1.1850 -1.1744 -1.1744 -0.7897 -0.7897 -0.7868 -0.7868 0.1805 0.1805 0.1879 0.1879 0.4239 0.4239 0.4341 0.4341 0.6247 0.6247 0.6282 0.6282 9.9711 9.9711 9.9748 9.9748 10.5961 10.5961 10.6026 10.6026 10.8009 10.8009 10.8018 10.8018 Writing output data file AlPO4.save init_run : 2.82s CPU 13.65s WALL ( 1 calls) electrons : 3263.33s CPU 3290.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 3263.30s CPU 3290.17s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.60s WALL ( 1 calls) newd : 0.60s CPU 0.80s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.41s WALL ( 350 calls) cegterg : 3147.77s CPU 3171.26s WALL ( 1655 calls) Called by sum_band: Called by *egterg: h_psi : 1074.12s CPU 1093.77s WALL ( 32926 calls) s_psi : 140.05s CPU 140.68s WALL ( 32926 calls) g_psi : 2.47s CPU 2.52s WALL ( 30921 calls) cdiaghg : 1476.63s CPU 1470.88s WALL ( 31271 calls) cegterg:over : 239.60s CPU 230.18s WALL ( 30921 calls) cegterg:upda : 80.83s CPU 89.04s WALL ( 30921 calls) cegterg:last : 47.10s CPU 48.14s WALL ( 3269 calls) Called by h_psi: h_psi:vloc : 780.46s CPU 796.27s WALL ( 32926 calls) h_psi:vnl : 292.40s CPU 294.87s WALL ( 32926 calls) add_vuspsi : 110.57s CPU 121.13s WALL ( 32926 calls) General routines calbec : 181.66s CPU 173.52s WALL ( 32926 calls) fft : 0.20s CPU 1.01s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 742.27s CPU 752.30s WALL ( 2949084 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 2.70s WALL ( 700 calls) Parallel routines fft_scatter : 438.13s CPU 436.62s WALL ( 2949107 calls) PWSCF : 55m59.79s CPU 59m13.11s WALL This run was terminated on: 9:47:59 29Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=