Program PWSCF v.5.1.1 starts on 18Jul2015 at 17:29:52 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: ./BiSe.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 144 58 17 5303 1341 213 Max 145 59 18 5307 1366 215 Sum 6955 2811 819 254675 65127 10261 bravais-lattice index = 14 lattice parameter (alat) = 23.7558 a.u. unit-cell volume = 1543.9259 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 23.755848 celldm(2)= 0.996773 celldm(3)= 0.345156 celldm(4)= 0.163773 celldm(5)= 0.181912 celldm(6)= 0.940246 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.937212 0.339397 0.000000 ) a(3) = ( 0.062788 -0.007369 0.339317 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.761399 -0.245010 ) b(2) = ( 0.000000 2.946398 0.063985 ) b(3) = ( 0.000000 0.000000 2.947092 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 Bi read from file: /home/autes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0100000 -0.0276140 0.0270208), wk = 0.0027397 k( 3) = ( 0.0200000 -0.0552280 0.0540416), wk = 0.0027397 k( 4) = ( 0.0300000 -0.0828420 0.0810625), wk = 0.0027397 k( 5) = ( 0.0400000 -0.1104560 0.1080833), wk = 0.0027397 k( 6) = ( 0.0500000 -0.1380699 0.1351041), wk = 0.0027397 k( 7) = ( 0.0600000 -0.1656839 0.1621249), wk = 0.0027397 k( 8) = ( 0.0700000 -0.1932979 0.1891457), wk = 0.0027397 k( 9) = ( 0.0800000 -0.2209119 0.2161666), wk = 0.0027397 k( 10) = ( 0.0900000 -0.2485259 0.2431874), wk = 0.0027397 k( 11) = ( 0.1000000 -0.2761399 0.2702082), wk = 0.0027397 k( 12) = ( 0.1100000 -0.3037539 0.2972290), wk = 0.0027397 k( 13) = ( 0.1200000 -0.3313679 0.3242498), wk = 0.0027397 k( 14) = ( 0.1300000 -0.3589819 0.3512707), wk = 0.0027397 k( 15) = ( 0.1400000 -0.3865958 0.3782915), wk = 0.0027397 k( 16) = ( 0.1500000 -0.4142098 0.4053123), wk = 0.0027397 k( 17) = ( 0.1600000 -0.4418238 0.4323331), wk = 0.0027397 k( 18) = ( 0.1700000 -0.4694378 0.4593539), wk = 0.0027397 k( 19) = ( 0.1800000 -0.4970518 0.4863748), wk = 0.0027397 k( 20) = ( 0.1900000 -0.5246658 0.5133956), wk = 0.0027397 k( 21) = ( 0.2000000 -0.5522798 0.5404164), wk = 0.0027397 k( 22) = ( 0.2100000 -0.5798938 0.5674372), wk = 0.0027397 k( 23) = ( 0.2200000 -0.6075078 0.5944580), wk = 0.0027397 k( 24) = ( 0.2300000 -0.6351217 0.6214789), wk = 0.0027397 k( 25) = ( 0.2400000 -0.6627357 0.6484997), wk = 0.0027397 k( 26) = ( 0.2500000 -0.6903497 0.6755205), wk = 0.0027397 k( 27) = ( 0.2600000 -0.7179637 0.7025413), wk = 0.0027397 k( 28) = ( 0.2700000 -0.7455777 0.7295621), wk = 0.0027397 k( 29) = ( 0.2800000 -0.7731917 0.7565830), wk = 0.0027397 k( 30) = ( 0.2900000 -0.8008057 0.7836038), wk = 0.0027397 k( 31) = ( 0.3000000 -0.8284197 0.8106246), wk = 0.0027397 k( 32) = ( 0.3100000 -0.8560337 0.8376454), wk = 0.0027397 k( 33) = ( 0.3200000 -0.8836476 0.8646662), wk = 0.0027397 k( 34) = ( 0.3300000 -0.9112616 0.8916871), wk = 0.0027397 k( 35) = ( 0.3400000 -0.9388756 0.9187079), wk = 0.0027397 k( 36) = ( 0.3500000 -0.9664896 0.9457287), wk = 0.0027397 k( 37) = ( 0.3600000 -0.9941036 0.9727495), wk = 0.0027397 k( 38) = ( 0.3700000 -1.0217176 0.9997703), wk = 0.0027397 k( 39) = ( 0.3800000 -1.0493316 1.0267912), wk = 0.0027397 k( 40) = ( 0.3900000 -1.0769456 1.0538120), wk = 0.0027397 k( 41) = ( 0.4000000 -1.1045596 1.0808328), wk = 0.0027397 k( 42) = ( 0.4100000 -1.1321735 1.1078536), wk = 0.0027397 k( 43) = ( 0.4200000 -1.1597875 1.1348744), wk = 0.0027397 k( 44) = ( 0.4300000 -1.1874015 1.1618953), wk = 0.0027397 k( 45) = ( 0.4400000 -1.2150155 1.1889161), wk = 0.0027397 k( 46) = ( 0.4500000 -1.2426295 1.2159369), wk = 0.0027397 k( 47) = ( 0.4600000 -1.2702435 1.2429577), wk = 0.0027397 k( 48) = ( 0.4700000 -1.2978575 1.2699785), wk = 0.0027397 k( 49) = ( 0.4800000 -1.3254715 1.2969994), wk = 0.0027397 k( 50) = ( 0.4900000 -1.3530855 1.3240202), wk = 0.0027397 k( 51) = ( 0.5000000 -1.3806994 1.3510410), wk = 0.0027397 k( 52) = ( 0.5000000 -1.3806994 1.3510410), wk = 0.0027397 k( 53) = ( 0.5384615 -1.3735841 1.3440785), wk = 0.0027397 k( 54) = ( 0.5769231 -1.3664688 1.3371160), wk = 0.0027397 k( 55) = ( 0.6153846 -1.3593534 1.3301535), wk = 0.0027397 k( 56) = ( 0.6538462 -1.3522381 1.3231910), wk = 0.0027397 k( 57) = ( 0.6923077 -1.3451227 1.3162285), wk = 0.0027397 k( 58) = ( 0.7307692 -1.3380074 1.3092660), wk = 0.0027397 k( 59) = ( 0.7692308 -1.3308920 1.3023035), wk = 0.0027397 k( 60) = ( 0.8076923 -1.3237767 1.2953410), wk = 0.0027397 k( 61) = ( 0.8461538 -1.3166614 1.2883785), wk = 0.0027397 k( 62) = ( 0.8846154 -1.3095460 1.2814160), wk = 0.0027397 k( 63) = ( 0.9230769 -1.3024307 1.2744535), wk = 0.0027397 k( 64) = ( 0.9615385 -1.2953153 1.2674910), wk = 0.0027397 k( 65) = ( 1.0000000 -1.2882000 1.2605285), wk = 0.0027397 k( 66) = ( 1.0000000 -1.2882000 1.2605285), wk = 0.0027397 k( 67) = ( 0.9900000 -1.2605860 1.2335077), wk = 0.0027397 k( 68) = ( 0.9800000 -1.2329720 1.2064869), wk = 0.0027397 k( 69) = ( 0.9700000 -1.2053580 1.1794661), wk = 0.0027397 k( 70) = ( 0.9600000 -1.1777440 1.1524452), wk = 0.0027397 k( 71) = ( 0.9500000 -1.1501301 1.1254244), wk = 0.0027397 k( 72) = ( 0.9400000 -1.1225161 1.0984036), wk = 0.0027397 k( 73) = ( 0.9300000 -1.0949021 1.0713828), wk = 0.0027397 k( 74) = ( 0.9200000 -1.0672881 1.0443620), wk = 0.0027397 k( 75) = ( 0.9100000 -1.0396741 1.0173411), wk = 0.0027397 k( 76) = ( 0.9000000 -1.0120601 0.9903203), wk = 0.0027397 k( 77) = ( 0.8900000 -0.9844461 0.9632995), wk = 0.0027397 k( 78) = ( 0.8800000 -0.9568321 0.9362787), wk = 0.0027397 k( 79) = ( 0.8700000 -0.9292181 0.9092579), wk = 0.0027397 k( 80) = ( 0.8600000 -0.9016042 0.8822370), wk = 0.0027397 k( 81) = ( 0.8500000 -0.8739902 0.8552162), wk = 0.0027397 k( 82) = ( 0.8400000 -0.8463762 0.8281954), wk = 0.0027397 k( 83) = ( 0.8300000 -0.8187622 0.8011746), wk = 0.0027397 k( 84) = ( 0.8200000 -0.7911482 0.7741538), wk = 0.0027397 k( 85) = ( 0.8100000 -0.7635342 0.7471329), wk = 0.0027397 k( 86) = ( 0.8000000 -0.7359202 0.7201121), wk = 0.0027397 k( 87) = ( 0.7900000 -0.7083062 0.6930913), wk = 0.0027397 k( 88) = ( 0.7800000 -0.6806922 0.6660705), wk = 0.0027397 k( 89) = ( 0.7700000 -0.6530783 0.6390497), wk = 0.0027397 k( 90) = ( 0.7600000 -0.6254643 0.6120288), wk = 0.0027397 k( 91) = ( 0.7500000 -0.5978503 0.5850080), wk = 0.0027397 k( 92) = ( 0.7400000 -0.5702363 0.5579872), wk = 0.0027397 k( 93) = ( 0.7300000 -0.5426223 0.5309664), wk = 0.0027397 k( 94) = ( 0.7200000 -0.5150083 0.5039456), wk = 0.0027397 k( 95) = ( 0.7100000 -0.4873943 0.4769247), wk = 0.0027397 k( 96) = ( 0.7000000 -0.4597803 0.4499039), wk = 0.0027397 k( 97) = ( 0.6900000 -0.4321663 0.4228831), wk = 0.0027397 k( 98) = ( 0.6800000 -0.4045524 0.3958623), wk = 0.0027397 k( 99) = ( 0.6700000 -0.3769384 0.3688415), wk = 0.0027397 k( 100) = ( 0.6600000 -0.3493244 0.3418206), wk = 0.0027397 k( 101) = ( 0.6500000 -0.3217104 0.3147998), wk = 0.0027397 k( 102) = ( 0.6400000 -0.2940964 0.2877790), wk = 0.0027397 k( 103) = ( 0.6300000 -0.2664824 0.2607582), wk = 0.0027397 k( 104) = ( 0.6200000 -0.2388684 0.2337374), wk = 0.0027397 k( 105) = ( 0.6100000 -0.2112544 0.2067165), wk = 0.0027397 k( 106) = ( 0.6000000 -0.1836404 0.1796957), wk = 0.0027397 k( 107) = ( 0.5900000 -0.1560265 0.1526749), wk = 0.0027397 k( 108) = ( 0.5800000 -0.1284125 0.1256541), wk = 0.0027397 k( 109) = ( 0.5700000 -0.1007985 0.0986333), wk = 0.0027397 k( 110) = ( 0.5600000 -0.0731845 0.0716124), wk = 0.0027397 k( 111) = ( 0.5500000 -0.0455705 0.0445916), wk = 0.0027397 k( 112) = ( 0.5400000 -0.0179565 0.0175708), wk = 0.0027397 k( 113) = ( 0.5300000 0.0096575 -0.0094500), wk = 0.0027397 k( 114) = ( 0.5200000 0.0372715 -0.0364708), wk = 0.0027397 k( 115) = ( 0.5100000 0.0648855 -0.0634917), wk = 0.0027397 k( 116) = ( 0.5000000 0.0924994 -0.0905125), wk = 0.0027397 k( 117) = ( 0.5000000 0.0924994 -0.0905125), wk = 0.0027397 k( 118) = ( 0.4615385 0.0853841 -0.0835500), wk = 0.0027397 k( 119) = ( 0.4230769 0.0782688 -0.0765875), wk = 0.0027397 k( 120) = ( 0.3846154 0.0711534 -0.0696250), wk = 0.0027397 k( 121) = ( 0.3461538 0.0640381 -0.0626625), wk = 0.0027397 k( 122) = ( 0.3076923 0.0569227 -0.0557000), wk = 0.0027397 k( 123) = ( 0.2692308 0.0498074 -0.0487375), wk = 0.0027397 k( 124) = ( 0.2307692 0.0426920 -0.0417750), wk = 0.0027397 k( 125) = ( 0.1923077 0.0355767 -0.0348125), wk = 0.0027397 k( 126) = ( 0.1538461 0.0284614 -0.0278500), wk = 0.0027397 k( 127) = ( 0.1153846 0.0213460 -0.0208875), wk = 0.0027397 k( 128) = ( 0.0769231 0.0142307 -0.0139250), wk = 0.0027397 k( 129) = ( 0.0384615 0.0071153 -0.0069625), wk = 0.0027397 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 132) = ( 0.0000000 0.0277287 0.0283374), wk = 0.0027397 k( 133) = ( 0.0000000 0.0554574 0.0566748), wk = 0.0027397 k( 134) = ( 0.0000000 0.0831861 0.0850123), wk = 0.0027397 k( 135) = ( 0.0000000 0.1109149 0.1133497), wk = 0.0027397 k( 136) = ( 0.0000000 0.1386436 0.1416871), wk = 0.0027397 k( 137) = ( 0.0000000 0.1663723 0.1700245), wk = 0.0027397 k( 138) = ( 0.0000000 0.1941010 0.1983620), wk = 0.0027397 k( 139) = ( 0.0000000 0.2218297 0.2266994), wk = 0.0027397 k( 140) = ( 0.0000000 0.2495585 0.2550369), wk = 0.0027397 k( 141) = ( 0.0000000 0.2772872 0.2833743), wk = 0.0027397 k( 142) = ( 0.0000000 0.3050159 0.3117117), wk = 0.0027397 k( 143) = ( 0.0000000 0.3327446 0.3400491), wk = 0.0027397 k( 144) = ( 0.0000000 0.3604734 0.3683866), wk = 0.0027397 k( 145) = ( 0.0000000 0.3882020 0.3967240), wk = 0.0027397 k( 146) = ( 0.0000000 0.4159308 0.4250614), wk = 0.0027397 k( 147) = ( 0.0000000 0.4436595 0.4533988), wk = 0.0027397 k( 148) = ( 0.0000000 0.4713882 0.4817363), wk = 0.0027397 k( 149) = ( 0.0000000 0.4991169 0.5100737), wk = 0.0027397 k( 150) = ( 0.0000000 0.5268456 0.5384111), wk = 0.0027397 k( 151) = ( 0.0000000 0.5545744 0.5667485), wk = 0.0027397 k( 152) = ( 0.0000000 0.5823031 0.5950860), wk = 0.0027397 k( 153) = ( 0.0000000 0.6100318 0.6234234), wk = 0.0027397 k( 154) = ( 0.0000000 0.6377605 0.6517608), wk = 0.0027397 k( 155) = ( 0.0000000 0.6654892 0.6800983), wk = 0.0027397 k( 156) = ( 0.0000000 0.6932180 0.7084357), wk = 0.0027397 k( 157) = ( 0.0000000 0.7209467 0.7367731), wk = 0.0027397 k( 158) = ( 0.0000000 0.7486754 0.7651105), wk = 0.0027397 k( 159) = ( 0.0000000 0.7764041 0.7934480), wk = 0.0027397 k( 160) = ( 0.0000000 0.8041329 0.8217854), wk = 0.0027397 k( 161) = ( 0.0000000 0.8318615 0.8501228), wk = 0.0027397 k( 162) = ( 0.0000000 0.8595903 0.8784602), wk = 0.0027397 k( 163) = ( 0.0000000 0.8873190 0.9067977), wk = 0.0027397 k( 164) = ( 0.0000000 0.9150477 0.9351351), wk = 0.0027397 k( 165) = ( 0.0000000 0.9427764 0.9634725), wk = 0.0027397 k( 166) = ( 0.0000000 0.9705051 0.9918100), wk = 0.0027397 k( 167) = ( 0.0000000 0.9982339 1.0201474), wk = 0.0027397 k( 168) = ( 0.0000000 1.0259626 1.0484848), wk = 0.0027397 k( 169) = ( 0.0000000 1.0536913 1.0768222), wk = 0.0027397 k( 170) = ( 0.0000000 1.0814200 1.1051597), wk = 0.0027397 k( 171) = ( 0.0000000 1.1091487 1.1334971), wk = 0.0027397 k( 172) = ( 0.0000000 1.1368775 1.1618345), wk = 0.0027397 k( 173) = ( 0.0000000 1.1646062 1.1901719), wk = 0.0027397 k( 174) = ( 0.0000000 1.1923349 1.2185094), wk = 0.0027397 k( 175) = ( 0.0000000 1.2200636 1.2468468), wk = 0.0027397 k( 176) = ( 0.0000000 1.2477923 1.2751842), wk = 0.0027397 k( 177) = ( 0.0000000 1.2755210 1.3035216), wk = 0.0027397 k( 178) = ( 0.0000000 1.3032498 1.3318591), wk = 0.0027397 k( 179) = ( 0.0000000 1.3309785 1.3601965), wk = 0.0027397 k( 180) = ( 0.0000000 1.3587072 1.3885340), wk = 0.0027397 k( 181) = ( 0.0000000 1.3864359 1.4168714), wk = 0.0027397 k( 182) = ( 0.0000000 1.4141646 1.4452088), wk = 0.0027397 k( 183) = ( 0.0000000 1.4418934 1.4735462), wk = 0.0027397 k( 184) = ( 0.0000000 1.4418934 1.4735462), wk = 0.0027397 k( 185) = ( 0.0072464 1.4027235 1.4735462), wk = 0.0027397 k( 186) = ( 0.0144928 1.3635537 1.4735462), wk = 0.0027397 k( 187) = ( 0.0217391 1.3243838 1.4735462), wk = 0.0027397 k( 188) = ( 0.0289855 1.2852140 1.4735462), wk = 0.0027397 k( 189) = ( 0.0362319 1.2460442 1.4735462), wk = 0.0027397 k( 190) = ( 0.0434783 1.2068743 1.4735462), wk = 0.0027397 k( 191) = ( 0.0507246 1.1677045 1.4735462), wk = 0.0027397 k( 192) = ( 0.0579710 1.1285346 1.4735462), wk = 0.0027397 k( 193) = ( 0.0652174 1.0893648 1.4735462), wk = 0.0027397 k( 194) = ( 0.0724638 1.0501949 1.4735462), wk = 0.0027397 k( 195) = ( 0.0797101 1.0110251 1.4735462), wk = 0.0027397 k( 196) = ( 0.0869565 0.9718553 1.4735462), wk = 0.0027397 k( 197) = ( 0.0942029 0.9326854 1.4735462), wk = 0.0027397 k( 198) = ( 0.1014493 0.8935156 1.4735462), wk = 0.0027397 k( 199) = ( 0.1086957 0.8543457 1.4735462), wk = 0.0027397 k( 200) = ( 0.1159420 0.8151759 1.4735462), wk = 0.0027397 k( 201) = ( 0.1231884 0.7760060 1.4735462), wk = 0.0027397 k( 202) = ( 0.1304348 0.7368362 1.4735462), wk = 0.0027397 k( 203) = ( 0.1376812 0.6976664 1.4735462), wk = 0.0027397 k( 204) = ( 0.1449275 0.6584965 1.4735462), wk = 0.0027397 k( 205) = ( 0.1521739 0.6193267 1.4735462), wk = 0.0027397 k( 206) = ( 0.1594203 0.5801568 1.4735462), wk = 0.0027397 k( 207) = ( 0.1666667 0.5409870 1.4735462), wk = 0.0027397 k( 208) = ( 0.1739130 0.5018172 1.4735462), wk = 0.0027397 k( 209) = ( 0.1811594 0.4626473 1.4735462), wk = 0.0027397 k( 210) = ( 0.1884058 0.4234775 1.4735462), wk = 0.0027397 k( 211) = ( 0.1956522 0.3843076 1.4735462), wk = 0.0027397 k( 212) = ( 0.2028986 0.3451378 1.4735462), wk = 0.0027397 k( 213) = ( 0.2101449 0.3059679 1.4735462), wk = 0.0027397 k( 214) = ( 0.2173913 0.2667981 1.4735462), wk = 0.0027397 k( 215) = ( 0.2246377 0.2276283 1.4735462), wk = 0.0027397 k( 216) = ( 0.2318841 0.1884584 1.4735462), wk = 0.0027397 k( 217) = ( 0.2391304 0.1492886 1.4735462), wk = 0.0027397 k( 218) = ( 0.2463768 0.1101187 1.4735462), wk = 0.0027397 k( 219) = ( 0.2536232 0.0709489 1.4735462), wk = 0.0027397 k( 220) = ( 0.2608696 0.0317790 1.4735462), wk = 0.0027397 k( 221) = ( 0.2681159 -0.0073908 1.4735462), wk = 0.0027397 k( 222) = ( 0.2753623 -0.0465606 1.4735462), wk = 0.0027397 k( 223) = ( 0.2826087 -0.0857305 1.4735462), wk = 0.0027397 k( 224) = ( 0.2898551 -0.1249003 1.4735462), wk = 0.0027397 k( 225) = ( 0.2971014 -0.1640702 1.4735462), wk = 0.0027397 k( 226) = ( 0.3043478 -0.2032400 1.4735462), wk = 0.0027397 k( 227) = ( 0.3115942 -0.2424098 1.4735462), wk = 0.0027397 k( 228) = ( 0.3188406 -0.2815797 1.4735462), wk = 0.0027397 k( 229) = ( 0.3260870 -0.3207495 1.4735462), wk = 0.0027397 k( 230) = ( 0.3333333 -0.3599194 1.4735462), wk = 0.0027397 k( 231) = ( 0.3405797 -0.3990892 1.4735462), wk = 0.0027397 k( 232) = ( 0.3478261 -0.4382591 1.4735462), wk = 0.0027397 k( 233) = ( 0.3550725 -0.4774289 1.4735462), wk = 0.0027397 k( 234) = ( 0.3623188 -0.5165987 1.4735462), wk = 0.0027397 k( 235) = ( 0.3695652 -0.5557686 1.4735462), wk = 0.0027397 k( 236) = ( 0.3768116 -0.5949384 1.4735462), wk = 0.0027397 k( 237) = ( 0.3840580 -0.6341083 1.4735462), wk = 0.0027397 k( 238) = ( 0.3913044 -0.6732781 1.4735462), wk = 0.0027397 k( 239) = ( 0.3985507 -0.7124479 1.4735462), wk = 0.0027397 k( 240) = ( 0.4057971 -0.7516178 1.4735462), wk = 0.0027397 k( 241) = ( 0.4130435 -0.7907876 1.4735462), wk = 0.0027397 k( 242) = ( 0.4202899 -0.8299575 1.4735462), wk = 0.0027397 k( 243) = ( 0.4275362 -0.8691273 1.4735462), wk = 0.0027397 k( 244) = ( 0.4347826 -0.9082972 1.4735462), wk = 0.0027397 k( 245) = ( 0.4420290 -0.9474670 1.4735462), wk = 0.0027397 k( 246) = ( 0.4492754 -0.9866368 1.4735462), wk = 0.0027397 k( 247) = ( 0.4565217 -1.0258067 1.4735462), wk = 0.0027397 k( 248) = ( 0.4637681 -1.0649765 1.4735462), wk = 0.0027397 k( 249) = ( 0.4710145 -1.1041464 1.4735462), wk = 0.0027397 k( 250) = ( 0.4782609 -1.1433162 1.4735462), wk = 0.0027397 k( 251) = ( 0.4855073 -1.1824860 1.4735462), wk = 0.0027397 k( 252) = ( 0.4927536 -1.2216559 1.4735462), wk = 0.0027397 k( 253) = ( 0.5000000 -1.2608257 1.4735462), wk = 0.0027397 k( 254) = ( 0.5000000 -1.2608257 1.4735462), wk = 0.0027397 k( 255) = ( 0.5000000 -1.2848005 1.4490452), wk = 0.0027397 k( 256) = ( 0.5000000 -1.3087752 1.4245441), wk = 0.0027397 k( 257) = ( 0.5000000 -1.3327499 1.4000431), wk = 0.0027397 k( 258) = ( 0.5000000 -1.3567247 1.3755421), wk = 0.0027397 k( 259) = ( 0.5000000 -1.3806994 1.3510410), wk = 0.0027397 k( 260) = ( 1.0000000 -1.2882000 1.2605285), wk = 0.0027397 k( 261) = ( 1.0000000 -1.2725472 1.2765249), wk = 0.0027397 k( 262) = ( 1.0000000 -1.2568945 1.2925213), wk = 0.0027397 k( 263) = ( 0.0000000 1.4418934 1.4735462), wk = 0.0027397 k( 264) = ( 0.0357143 1.4421741 1.4606159), wk = 0.0027397 k( 265) = ( 0.0714286 1.4424550 1.4476855), wk = 0.0027397 k( 266) = ( 0.1071429 1.4427358 1.4347552), wk = 0.0027397 k( 267) = ( 0.1428571 1.4430166 1.4218248), wk = 0.0027397 k( 268) = ( 0.1785714 1.4432974 1.4088945), wk = 0.0027397 k( 269) = ( 0.2142857 1.4435782 1.3959641), wk = 0.0027397 k( 270) = ( 0.2500000 1.4438590 1.3830337), wk = 0.0027397 k( 271) = ( 0.2857143 1.4441398 1.3701034), wk = 0.0027397 k( 272) = ( 0.3214286 1.4444206 1.3571730), wk = 0.0027397 k( 273) = ( 0.3571429 1.4447014 1.3442427), wk = 0.0027397 k( 274) = ( 0.3928571 1.4449822 1.3313123), wk = 0.0027397 k( 275) = ( 0.4285714 1.4452630 1.3183820), wk = 0.0027397 k( 276) = ( 0.4642857 1.4455438 1.3054516), wk = 0.0027397 k( 277) = ( 0.5000000 1.4458246 1.2925213), wk = 0.0027397 k( 278) = ( 0.5000000 1.4458246 1.2925213), wk = 0.0027397 k( 279) = ( 0.5000000 1.4182057 1.2642961), wk = 0.0027397 k( 280) = ( 0.5000000 1.3905868 1.2360709), wk = 0.0027397 k( 281) = ( 0.5000000 1.3629679 1.2078457), wk = 0.0027397 k( 282) = ( 0.5000000 1.3353491 1.1796206), wk = 0.0027397 k( 283) = ( 0.5000000 1.3077302 1.1513954), wk = 0.0027397 k( 284) = ( 0.5000000 1.2801113 1.1231702), wk = 0.0027397 k( 285) = ( 0.5000000 1.2524924 1.0949450), wk = 0.0027397 k( 286) = ( 0.5000000 1.2248736 1.0667198), wk = 0.0027397 k( 287) = ( 0.5000000 1.1972547 1.0384946), wk = 0.0027397 k( 288) = ( 0.5000000 1.1696358 1.0102695), wk = 0.0027397 k( 289) = ( 0.5000000 1.1420169 0.9820443), wk = 0.0027397 k( 290) = ( 0.5000000 1.1143980 0.9538191), wk = 0.0027397 k( 291) = ( 0.5000000 1.0867792 0.9255939), wk = 0.0027397 k( 292) = ( 0.5000000 1.0591603 0.8973688), wk = 0.0027397 k( 293) = ( 0.5000000 1.0315414 0.8691436), wk = 0.0027397 k( 294) = ( 0.5000000 1.0039225 0.8409184), wk = 0.0027397 k( 295) = ( 0.5000000 0.9763036 0.8126932), wk = 0.0027397 k( 296) = ( 0.5000000 0.9486847 0.7844680), wk = 0.0027397 k( 297) = ( 0.5000000 0.9210659 0.7562429), wk = 0.0027397 k( 298) = ( 0.5000000 0.8934470 0.7280177), wk = 0.0027397 k( 299) = ( 0.5000000 0.8658281 0.6997925), wk = 0.0027397 k( 300) = ( 0.5000000 0.8382092 0.6715673), wk = 0.0027397 k( 301) = ( 0.5000000 0.8105903 0.6433422), wk = 0.0027397 k( 302) = ( 0.5000000 0.7829715 0.6151170), wk = 0.0027397 k( 303) = ( 0.5000000 0.7553526 0.5868918), wk = 0.0027397 k( 304) = ( 0.5000000 0.7277337 0.5586666), wk = 0.0027397 k( 305) = ( 0.5000000 0.7001148 0.5304414), wk = 0.0027397 k( 306) = ( 0.5000000 0.6724959 0.5022162), wk = 0.0027397 k( 307) = ( 0.5000000 0.6448771 0.4739911), wk = 0.0027397 k( 308) = ( 0.5000000 0.6172582 0.4457659), wk = 0.0027397 k( 309) = ( 0.5000000 0.5896393 0.4175407), wk = 0.0027397 k( 310) = ( 0.5000000 0.5620204 0.3893156), wk = 0.0027397 k( 311) = ( 0.5000000 0.5344015 0.3610904), wk = 0.0027397 k( 312) = ( 0.5000000 0.5067826 0.3328652), wk = 0.0027397 k( 313) = ( 0.5000000 0.4791638 0.3046400), wk = 0.0027397 k( 314) = ( 0.5000000 0.4515449 0.2764148), wk = 0.0027397 k( 315) = ( 0.5000000 0.4239260 0.2481897), wk = 0.0027397 k( 316) = ( 0.5000000 0.3963071 0.2199645), wk = 0.0027397 k( 317) = ( 0.5000000 0.3686883 0.1917393), wk = 0.0027397 k( 318) = ( 0.5000000 0.3410694 0.1635141), wk = 0.0027397 k( 319) = ( 0.5000000 0.3134505 0.1352889), wk = 0.0027397 k( 320) = ( 0.5000000 0.2858316 0.1070638), wk = 0.0027397 k( 321) = ( 0.5000000 0.2582127 0.0788386), wk = 0.0027397 k( 322) = ( 0.5000000 0.2305938 0.0506134), wk = 0.0027397 k( 323) = ( 0.5000000 0.2029750 0.0223882), wk = 0.0027397 k( 324) = ( 0.5000000 0.1753561 -0.0058369), wk = 0.0027397 k( 325) = ( 0.5000000 0.1477372 -0.0340621), wk = 0.0027397 k( 326) = ( 0.5000000 0.1201183 -0.0622873), wk = 0.0027397 k( 327) = ( 0.5000000 0.0924994 -0.0905125), wk = 0.0027397 k( 328) = ( 0.5000000 0.0924994 1.3830337), wk = 0.0027397 k( 329) = ( 0.4864865 0.0899995 1.3456545), wk = 0.0027397 k( 330) = ( 0.4729730 0.0874995 1.3082752), wk = 0.0027397 k( 331) = ( 0.4594595 0.0849995 1.2708959), wk = 0.0027397 k( 332) = ( 0.4459459 0.0824995 1.2335166), wk = 0.0027397 k( 333) = ( 0.4324324 0.0799995 1.1961373), wk = 0.0027397 k( 334) = ( 0.4189189 0.0774995 1.1587580), wk = 0.0027397 k( 335) = ( 0.4054054 0.0749995 1.1213787), wk = 0.0027397 k( 336) = ( 0.3918919 0.0724996 1.0839994), wk = 0.0027397 k( 337) = ( 0.3783784 0.0699996 1.0466201), wk = 0.0027397 k( 338) = ( 0.3648649 0.0674996 1.0092408), wk = 0.0027397 k( 339) = ( 0.3513514 0.0649996 0.9718615), wk = 0.0027397 k( 340) = ( 0.3378378 0.0624996 0.9344823), wk = 0.0027397 k( 341) = ( 0.3243243 0.0599996 0.8971030), wk = 0.0027397 k( 342) = ( 0.3108108 0.0574997 0.8597237), wk = 0.0027397 k( 343) = ( 0.2972973 0.0549997 0.8223444), wk = 0.0027397 k( 344) = ( 0.2837838 0.0524997 0.7849651), wk = 0.0027397 k( 345) = ( 0.2702703 0.0499997 0.7475858), wk = 0.0027397 k( 346) = ( 0.2567568 0.0474997 0.7102065), wk = 0.0027397 k( 347) = ( 0.2432432 0.0449997 0.6728272), wk = 0.0027397 k( 348) = ( 0.2297297 0.0424997 0.6354479), wk = 0.0027397 k( 349) = ( 0.2162162 0.0399998 0.5980687), wk = 0.0027397 k( 350) = ( 0.2027027 0.0374998 0.5606893), wk = 0.0027397 k( 351) = ( 0.1891892 0.0349998 0.5233101), wk = 0.0027397 k( 352) = ( 0.1756757 0.0324998 0.4859308), wk = 0.0027397 k( 353) = ( 0.1621622 0.0299998 0.4485515), wk = 0.0027397 k( 354) = ( 0.1486486 0.0274998 0.4111722), wk = 0.0027397 k( 355) = ( 0.1351351 0.0249998 0.3737929), wk = 0.0027397 k( 356) = ( 0.1216216 0.0224999 0.3364136), wk = 0.0027397 k( 357) = ( 0.1081081 0.0199999 0.2990343), wk = 0.0027397 k( 358) = ( 0.0945946 0.0174999 0.2616550), wk = 0.0027397 k( 359) = ( 0.0810811 0.0149999 0.2242757), wk = 0.0027397 k( 360) = ( 0.0675676 0.0124999 0.1868965), wk = 0.0027397 k( 361) = ( 0.0540540 0.0099999 0.1495171), wk = 0.0027397 k( 362) = ( 0.0405405 0.0075000 0.1121379), wk = 0.0027397 k( 363) = ( 0.0270270 0.0050000 0.0747586), wk = 0.0027397 k( 364) = ( 0.0135135 0.0025000 0.0373793), wk = 0.0027397 k( 365) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0100000 0.0000000 0.0100000), wk = 0.0027397 k( 3) = ( 0.0200000 0.0000000 0.0200000), wk = 0.0027397 k( 4) = ( 0.0300000 0.0000000 0.0300000), wk = 0.0027397 k( 5) = ( 0.0400000 0.0000000 0.0400000), wk = 0.0027397 k( 6) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0027397 k( 7) = ( 0.0600000 0.0000000 0.0600000), wk = 0.0027397 k( 8) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0027397 k( 9) = ( 0.0800000 0.0000000 0.0800000), wk = 0.0027397 k( 10) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0027397 k( 11) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0027397 k( 12) = ( 0.1100000 0.0000000 0.1100000), wk = 0.0027397 k( 13) = ( 0.1200000 0.0000000 0.1200000), wk = 0.0027397 k( 14) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0027397 k( 15) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0027397 k( 16) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0027397 k( 17) = ( 0.1600000 0.0000000 0.1600000), wk = 0.0027397 k( 18) = ( 0.1700000 0.0000000 0.1700000), wk = 0.0027397 k( 19) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0027397 k( 20) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0027397 k( 21) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0027397 k( 22) = ( 0.2100000 0.0000000 0.2100000), wk = 0.0027397 k( 23) = ( 0.2200000 0.0000000 0.2200000), wk = 0.0027397 k( 24) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0027397 k( 25) = ( 0.2400000 0.0000000 0.2400000), wk = 0.0027397 k( 26) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0027397 k( 27) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0027397 k( 28) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0027397 k( 29) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0027397 k( 30) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0027397 k( 31) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0027397 k( 32) = ( 0.3100000 0.0000000 0.3100000), wk = 0.0027397 k( 33) = ( 0.3200000 0.0000000 0.3200000), wk = 0.0027397 k( 34) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0027397 k( 35) = ( 0.3400000 0.0000000 0.3400000), wk = 0.0027397 k( 36) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0027397 k( 37) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0027397 k( 38) = ( 0.3700000 0.0000000 0.3700000), wk = 0.0027397 k( 39) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0027397 k( 40) = ( 0.3900000 0.0000000 0.3900000), wk = 0.0027397 k( 41) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0027397 k( 42) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0027397 k( 43) = ( 0.4200000 0.0000000 0.4200000), wk = 0.0027397 k( 44) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0027397 k( 45) = ( 0.4400000 0.0000000 0.4400000), wk = 0.0027397 k( 46) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0027397 k( 47) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0027397 k( 48) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0027397 k( 49) = ( 0.4800000 0.0000000 0.4800000), wk = 0.0027397 k( 50) = ( 0.4900000 0.0000000 0.4900000), wk = 0.0027397 k( 51) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 53) = ( 0.5384615 0.0384615 0.5000000), wk = 0.0027397 k( 54) = ( 0.5769231 0.0769231 0.5000000), wk = 0.0027397 k( 55) = ( 0.6153846 0.1153846 0.5000000), wk = 0.0027397 k( 56) = ( 0.6538462 0.1538462 0.5000000), wk = 0.0027397 k( 57) = ( 0.6923077 0.1923077 0.5000000), wk = 0.0027397 k( 58) = ( 0.7307692 0.2307692 0.5000000), wk = 0.0027397 k( 59) = ( 0.7692308 0.2692308 0.5000000), wk = 0.0027397 k( 60) = ( 0.8076923 0.3076923 0.5000000), wk = 0.0027397 k( 61) = ( 0.8461538 0.3461539 0.5000000), wk = 0.0027397 k( 62) = ( 0.8846154 0.3846154 0.5000000), wk = 0.0027397 k( 63) = ( 0.9230769 0.4230769 0.5000000), wk = 0.0027397 k( 64) = ( 0.9615385 0.4615385 0.5000000), wk = 0.0027397 k( 65) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 66) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 67) = ( 0.9900000 0.5000000 0.4900000), wk = 0.0027397 k( 68) = ( 0.9800000 0.5000000 0.4800000), wk = 0.0027397 k( 69) = ( 0.9700000 0.5000000 0.4700000), wk = 0.0027397 k( 70) = ( 0.9600000 0.5000000 0.4600000), wk = 0.0027397 k( 71) = ( 0.9500000 0.5000000 0.4500000), wk = 0.0027397 k( 72) = ( 0.9400000 0.5000000 0.4400000), wk = 0.0027397 k( 73) = ( 0.9300000 0.5000000 0.4300000), wk = 0.0027397 k( 74) = ( 0.9200000 0.5000000 0.4200000), wk = 0.0027397 k( 75) = ( 0.9100000 0.5000000 0.4100000), wk = 0.0027397 k( 76) = ( 0.9000000 0.5000000 0.4000000), wk = 0.0027397 k( 77) = ( 0.8900000 0.5000000 0.3900000), wk = 0.0027397 k( 78) = ( 0.8800000 0.5000000 0.3800000), wk = 0.0027397 k( 79) = ( 0.8700000 0.5000000 0.3700000), wk = 0.0027397 k( 80) = ( 0.8600000 0.5000000 0.3600000), wk = 0.0027397 k( 81) = ( 0.8500000 0.5000000 0.3500000), wk = 0.0027397 k( 82) = ( 0.8400000 0.5000000 0.3400000), wk = 0.0027397 k( 83) = ( 0.8300000 0.5000000 0.3300000), wk = 0.0027397 k( 84) = ( 0.8200000 0.5000000 0.3200000), wk = 0.0027397 k( 85) = ( 0.8100000 0.5000000 0.3100000), wk = 0.0027397 k( 86) = ( 0.8000000 0.5000000 0.3000000), wk = 0.0027397 k( 87) = ( 0.7900000 0.5000000 0.2900000), wk = 0.0027397 k( 88) = ( 0.7800000 0.5000000 0.2800000), wk = 0.0027397 k( 89) = ( 0.7700000 0.5000000 0.2700000), wk = 0.0027397 k( 90) = ( 0.7600000 0.5000000 0.2600000), wk = 0.0027397 k( 91) = ( 0.7500000 0.5000000 0.2500000), wk = 0.0027397 k( 92) = ( 0.7400000 0.5000000 0.2400000), wk = 0.0027397 k( 93) = ( 0.7300000 0.5000000 0.2300000), wk = 0.0027397 k( 94) = ( 0.7200000 0.5000000 0.2200000), wk = 0.0027397 k( 95) = ( 0.7100000 0.5000000 0.2100000), wk = 0.0027397 k( 96) = ( 0.7000000 0.5000000 0.2000000), wk = 0.0027397 k( 97) = ( 0.6900000 0.5000000 0.1900000), wk = 0.0027397 k( 98) = ( 0.6800000 0.5000000 0.1800000), wk = 0.0027397 k( 99) = ( 0.6700000 0.5000000 0.1700000), wk = 0.0027397 k( 100) = ( 0.6600000 0.5000000 0.1600000), wk = 0.0027397 k( 101) = ( 0.6500000 0.5000000 0.1500000), wk = 0.0027397 k( 102) = ( 0.6400000 0.5000000 0.1400000), wk = 0.0027397 k( 103) = ( 0.6300000 0.5000000 0.1300000), wk = 0.0027397 k( 104) = ( 0.6200000 0.5000000 0.1200000), wk = 0.0027397 k( 105) = ( 0.6100000 0.5000000 0.1100000), wk = 0.0027397 k( 106) = ( 0.6000000 0.5000000 0.1000000), wk = 0.0027397 k( 107) = ( 0.5900000 0.5000000 0.0900000), wk = 0.0027397 k( 108) = ( 0.5800000 0.5000000 0.0800000), wk = 0.0027397 k( 109) = ( 0.5700000 0.5000000 0.0700000), wk = 0.0027397 k( 110) = ( 0.5600000 0.5000000 0.0600000), wk = 0.0027397 k( 111) = ( 0.5500000 0.5000000 0.0500000), wk = 0.0027397 k( 112) = ( 0.5400000 0.5000000 0.0400000), wk = 0.0027397 k( 113) = ( 0.5300000 0.5000000 0.0300000), wk = 0.0027397 k( 114) = ( 0.5200000 0.5000000 0.0200000), wk = 0.0027397 k( 115) = ( 0.5100000 0.5000000 0.0100000), wk = 0.0027397 k( 116) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 118) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0027397 k( 119) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0027397 k( 120) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0027397 k( 121) = ( 0.3461538 0.3461539 -0.0000000), wk = 0.0027397 k( 122) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0027397 k( 123) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0027397 k( 124) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0027397 k( 125) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0027397 k( 126) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0027397 k( 127) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0027397 k( 128) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0027397 k( 129) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0027397 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 132) = ( 0.0000000 0.0094111 0.0094111), wk = 0.0027397 k( 133) = ( 0.0000000 0.0188221 0.0188221), wk = 0.0027397 k( 134) = ( 0.0000000 0.0282332 0.0282332), wk = 0.0027397 k( 135) = ( 0.0000000 0.0376442 0.0376442), wk = 0.0027397 k( 136) = ( 0.0000000 0.0470553 0.0470553), wk = 0.0027397 k( 137) = ( 0.0000000 0.0564663 0.0564663), wk = 0.0027397 k( 138) = ( 0.0000000 0.0658774 0.0658774), wk = 0.0027397 k( 139) = ( 0.0000000 0.0752885 0.0752885), wk = 0.0027397 k( 140) = ( 0.0000000 0.0846995 0.0846995), wk = 0.0027397 k( 141) = ( 0.0000000 0.0941106 0.0941106), wk = 0.0027397 k( 142) = ( 0.0000000 0.1035216 0.1035216), wk = 0.0027397 k( 143) = ( 0.0000000 0.1129327 0.1129327), wk = 0.0027397 k( 144) = ( 0.0000000 0.1223437 0.1223437), wk = 0.0027397 k( 145) = ( 0.0000000 0.1317548 0.1317548), wk = 0.0027397 k( 146) = ( 0.0000000 0.1411659 0.1411659), wk = 0.0027397 k( 147) = ( 0.0000000 0.1505769 0.1505769), wk = 0.0027397 k( 148) = ( 0.0000000 0.1599880 0.1599880), wk = 0.0027397 k( 149) = ( 0.0000000 0.1693990 0.1693990), wk = 0.0027397 k( 150) = ( 0.0000000 0.1788101 0.1788101), wk = 0.0027397 k( 151) = ( 0.0000000 0.1882212 0.1882211), wk = 0.0027397 k( 152) = ( 0.0000000 0.1976322 0.1976322), wk = 0.0027397 k( 153) = ( 0.0000000 0.2070433 0.2070433), wk = 0.0027397 k( 154) = ( 0.0000000 0.2164543 0.2164543), wk = 0.0027397 k( 155) = ( 0.0000000 0.2258654 0.2258654), wk = 0.0027397 k( 156) = ( 0.0000000 0.2352764 0.2352764), wk = 0.0027397 k( 157) = ( 0.0000000 0.2446875 0.2446875), wk = 0.0027397 k( 158) = ( 0.0000000 0.2540985 0.2540985), wk = 0.0027397 k( 159) = ( 0.0000000 0.2635096 0.2635096), wk = 0.0027397 k( 160) = ( 0.0000000 0.2729207 0.2729207), wk = 0.0027397 k( 161) = ( 0.0000000 0.2823317 0.2823317), wk = 0.0027397 k( 162) = ( 0.0000000 0.2917428 0.2917428), wk = 0.0027397 k( 163) = ( 0.0000000 0.3011538 0.3011538), wk = 0.0027397 k( 164) = ( 0.0000000 0.3105649 0.3105649), wk = 0.0027397 k( 165) = ( 0.0000000 0.3199759 0.3199759), wk = 0.0027397 k( 166) = ( 0.0000000 0.3293870 0.3293870), wk = 0.0027397 k( 167) = ( 0.0000000 0.3387981 0.3387981), wk = 0.0027397 k( 168) = ( 0.0000000 0.3482091 0.3482091), wk = 0.0027397 k( 169) = ( 0.0000000 0.3576202 0.3576202), wk = 0.0027397 k( 170) = ( 0.0000000 0.3670312 0.3670312), wk = 0.0027397 k( 171) = ( 0.0000000 0.3764423 0.3764423), wk = 0.0027397 k( 172) = ( 0.0000000 0.3858534 0.3858534), wk = 0.0027397 k( 173) = ( 0.0000000 0.3952644 0.3952644), wk = 0.0027397 k( 174) = ( 0.0000000 0.4046755 0.4046755), wk = 0.0027397 k( 175) = ( 0.0000000 0.4140865 0.4140865), wk = 0.0027397 k( 176) = ( 0.0000000 0.4234976 0.4234976), wk = 0.0027397 k( 177) = ( 0.0000000 0.4329086 0.4329086), wk = 0.0027397 k( 178) = ( 0.0000000 0.4423197 0.4423197), wk = 0.0027397 k( 179) = ( 0.0000000 0.4517308 0.4517308), wk = 0.0027397 k( 180) = ( 0.0000000 0.4611418 0.4611418), wk = 0.0027397 k( 181) = ( 0.0000000 0.4705529 0.4705529), wk = 0.0027397 k( 182) = ( 0.0000000 0.4799639 0.4799639), wk = 0.0027397 k( 183) = ( 0.0000000 0.4893750 0.4893750), wk = 0.0027397 k( 184) = ( 0.0000000 0.4893750 0.4893750), wk = 0.0027397 k( 185) = ( 0.0072464 0.4828722 0.4901186), wk = 0.0027397 k( 186) = ( 0.0144928 0.4763695 0.4908622), wk = 0.0027397 k( 187) = ( 0.0217391 0.4698667 0.4916058), wk = 0.0027397 k( 188) = ( 0.0289855 0.4633640 0.4923495), wk = 0.0027397 k( 189) = ( 0.0362319 0.4568612 0.4930931), wk = 0.0027397 k( 190) = ( 0.0434783 0.4503584 0.4938367), wk = 0.0027397 k( 191) = ( 0.0507246 0.4438557 0.4945803), wk = 0.0027397 k( 192) = ( 0.0579710 0.4373529 0.4953240), wk = 0.0027397 k( 193) = ( 0.0652174 0.4308502 0.4960676), wk = 0.0027397 k( 194) = ( 0.0724638 0.4243474 0.4968112), wk = 0.0027397 k( 195) = ( 0.0797101 0.4178447 0.4975548), wk = 0.0027397 k( 196) = ( 0.0869565 0.4113419 0.4982984), wk = 0.0027397 k( 197) = ( 0.0942029 0.4048392 0.4990421), wk = 0.0027397 k( 198) = ( 0.1014493 0.3983364 0.4997857), wk = 0.0027397 k( 199) = ( 0.1086957 0.3918337 0.5005293), wk = 0.0027397 k( 200) = ( 0.1159420 0.3853309 0.5012729), wk = 0.0027397 k( 201) = ( 0.1231884 0.3788281 0.5020165), wk = 0.0027397 k( 202) = ( 0.1304348 0.3723254 0.5027602), wk = 0.0027397 k( 203) = ( 0.1376812 0.3658226 0.5035038), wk = 0.0027397 k( 204) = ( 0.1449275 0.3593199 0.5042474), wk = 0.0027397 k( 205) = ( 0.1521739 0.3528171 0.5049910), wk = 0.0027397 k( 206) = ( 0.1594203 0.3463144 0.5057346), wk = 0.0027397 k( 207) = ( 0.1666667 0.3398116 0.5064783), wk = 0.0027397 k( 208) = ( 0.1739130 0.3333088 0.5072219), wk = 0.0027397 k( 209) = ( 0.1811594 0.3268061 0.5079655), wk = 0.0027397 k( 210) = ( 0.1884058 0.3203033 0.5087091), wk = 0.0027397 k( 211) = ( 0.1956522 0.3138006 0.5094528), wk = 0.0027397 k( 212) = ( 0.2028986 0.3072978 0.5101964), wk = 0.0027397 k( 213) = ( 0.2101449 0.3007951 0.5109400), wk = 0.0027397 k( 214) = ( 0.2173913 0.2942923 0.5116836), wk = 0.0027397 k( 215) = ( 0.2246377 0.2877896 0.5124272), wk = 0.0027397 k( 216) = ( 0.2318841 0.2812868 0.5131709), wk = 0.0027397 k( 217) = ( 0.2391304 0.2747841 0.5139145), wk = 0.0027397 k( 218) = ( 0.2463768 0.2682813 0.5146581), wk = 0.0027397 k( 219) = ( 0.2536232 0.2617785 0.5154017), wk = 0.0027397 k( 220) = ( 0.2608696 0.2552758 0.5161453), wk = 0.0027397 k( 221) = ( 0.2681159 0.2487730 0.5168890), wk = 0.0027397 k( 222) = ( 0.2753623 0.2422703 0.5176326), wk = 0.0027397 k( 223) = ( 0.2826087 0.2357675 0.5183762), wk = 0.0027397 k( 224) = ( 0.2898551 0.2292648 0.5191198), wk = 0.0027397 k( 225) = ( 0.2971014 0.2227620 0.5198635), wk = 0.0027397 k( 226) = ( 0.3043478 0.2162592 0.5206071), wk = 0.0027397 k( 227) = ( 0.3115942 0.2097565 0.5213507), wk = 0.0027397 k( 228) = ( 0.3188406 0.2032537 0.5220943), wk = 0.0027397 k( 229) = ( 0.3260870 0.1967510 0.5228379), wk = 0.0027397 k( 230) = ( 0.3333333 0.1902482 0.5235816), wk = 0.0027397 k( 231) = ( 0.3405797 0.1837455 0.5243252), wk = 0.0027397 k( 232) = ( 0.3478261 0.1772427 0.5250688), wk = 0.0027397 k( 233) = ( 0.3550725 0.1707400 0.5258124), wk = 0.0027397 k( 234) = ( 0.3623188 0.1642372 0.5265560), wk = 0.0027397 k( 235) = ( 0.3695652 0.1577344 0.5272997), wk = 0.0027397 k( 236) = ( 0.3768116 0.1512317 0.5280433), wk = 0.0027397 k( 237) = ( 0.3840580 0.1447289 0.5287869), wk = 0.0027397 k( 238) = ( 0.3913044 0.1382262 0.5295305), wk = 0.0027397 k( 239) = ( 0.3985507 0.1317234 0.5302741), wk = 0.0027397 k( 240) = ( 0.4057971 0.1252207 0.5310178), wk = 0.0027397 k( 241) = ( 0.4130435 0.1187179 0.5317614), wk = 0.0027397 k( 242) = ( 0.4202899 0.1122151 0.5325050), wk = 0.0027397 k( 243) = ( 0.4275362 0.1057124 0.5332486), wk = 0.0027397 k( 244) = ( 0.4347826 0.0992096 0.5339922), wk = 0.0027397 k( 245) = ( 0.4420290 0.0927069 0.5347359), wk = 0.0027397 k( 246) = ( 0.4492754 0.0862041 0.5354795), wk = 0.0027397 k( 247) = ( 0.4565217 0.0797014 0.5362231), wk = 0.0027397 k( 248) = ( 0.4637681 0.0731986 0.5369667), wk = 0.0027397 k( 249) = ( 0.4710145 0.0666959 0.5377104), wk = 0.0027397 k( 250) = ( 0.4782609 0.0601931 0.5384540), wk = 0.0027397 k( 251) = ( 0.4855073 0.0536903 0.5391976), wk = 0.0027397 k( 252) = ( 0.4927536 0.0471876 0.5399412), wk = 0.0027397 k( 253) = ( 0.5000000 0.0406848 0.5406848), wk = 0.0027397 k( 254) = ( 0.5000000 0.0406848 0.5406848), wk = 0.0027397 k( 255) = ( 0.5000000 0.0325479 0.5325479), wk = 0.0027397 k( 256) = ( 0.5000000 0.0244109 0.5244109), wk = 0.0027397 k( 257) = ( 0.5000000 0.0162739 0.5162739), wk = 0.0027397 k( 258) = ( 0.5000000 0.0081370 0.5081370), wk = 0.0027397 k( 259) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027397 k( 260) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 261) = ( 1.0000000 0.5053125 0.5053125), wk = 0.0027397 k( 262) = ( 1.0000000 0.5106250 0.5106250), wk = 0.0027397 k( 263) = ( 0.0000000 0.4893750 0.4893750), wk = 0.0027397 k( 264) = ( 0.0357143 0.5229421 0.4872279), wk = 0.0027397 k( 265) = ( 0.0714286 0.5565093 0.4850807), wk = 0.0027397 k( 266) = ( 0.1071429 0.5900764 0.4829336), wk = 0.0027397 k( 267) = ( 0.1428571 0.6236436 0.4807865), wk = 0.0027397 k( 268) = ( 0.1785714 0.6572108 0.4786393), wk = 0.0027397 k( 269) = ( 0.2142857 0.6907779 0.4764922), wk = 0.0027397 k( 270) = ( 0.2500000 0.7243451 0.4743451), wk = 0.0027397 k( 271) = ( 0.2857143 0.7579122 0.4721979), wk = 0.0027397 k( 272) = ( 0.3214286 0.7914794 0.4700508), wk = 0.0027397 k( 273) = ( 0.3571429 0.8250465 0.4679037), wk = 0.0027397 k( 274) = ( 0.3928571 0.8586137 0.4657565), wk = 0.0027397 k( 275) = ( 0.4285714 0.8921808 0.4636094), wk = 0.0027397 k( 276) = ( 0.4642857 0.9257480 0.4614623), wk = 0.0027397 k( 277) = ( 0.5000000 0.9593152 0.4593152), wk = 0.0027397 k( 278) = ( 0.5000000 0.9593152 0.4593152), wk = 0.0027397 k( 279) = ( 0.5000000 0.9499414 0.4499414), wk = 0.0027397 k( 280) = ( 0.5000000 0.9405676 0.4405676), wk = 0.0027397 k( 281) = ( 0.5000000 0.9311938 0.4311938), wk = 0.0027397 k( 282) = ( 0.5000000 0.9218200 0.4218200), wk = 0.0027397 k( 283) = ( 0.5000000 0.9124463 0.4124463), wk = 0.0027397 k( 284) = ( 0.5000000 0.9030725 0.4030725), wk = 0.0027397 k( 285) = ( 0.5000000 0.8936987 0.3936987), wk = 0.0027397 k( 286) = ( 0.5000000 0.8843249 0.3843249), wk = 0.0027397 k( 287) = ( 0.5000000 0.8749511 0.3749512), wk = 0.0027397 k( 288) = ( 0.5000000 0.8655774 0.3655774), wk = 0.0027397 k( 289) = ( 0.5000000 0.8562036 0.3562036), wk = 0.0027397 k( 290) = ( 0.5000000 0.8468298 0.3468298), wk = 0.0027397 k( 291) = ( 0.5000000 0.8374560 0.3374560), wk = 0.0027397 k( 292) = ( 0.5000000 0.8280823 0.3280823), wk = 0.0027397 k( 293) = ( 0.5000000 0.8187085 0.3187085), wk = 0.0027397 k( 294) = ( 0.5000000 0.8093347 0.3093347), wk = 0.0027397 k( 295) = ( 0.5000000 0.7999609 0.2999609), wk = 0.0027397 k( 296) = ( 0.5000000 0.7905871 0.2905871), wk = 0.0027397 k( 297) = ( 0.5000000 0.7812134 0.2812134), wk = 0.0027397 k( 298) = ( 0.5000000 0.7718396 0.2718396), wk = 0.0027397 k( 299) = ( 0.5000000 0.7624658 0.2624658), wk = 0.0027397 k( 300) = ( 0.5000000 0.7530920 0.2530920), wk = 0.0027397 k( 301) = ( 0.5000000 0.7437182 0.2437182), wk = 0.0027397 k( 302) = ( 0.5000000 0.7343445 0.2343445), wk = 0.0027397 k( 303) = ( 0.5000000 0.7249707 0.2249707), wk = 0.0027397 k( 304) = ( 0.5000000 0.7155969 0.2155969), wk = 0.0027397 k( 305) = ( 0.5000000 0.7062231 0.2062231), wk = 0.0027397 k( 306) = ( 0.5000000 0.6968493 0.1968494), wk = 0.0027397 k( 307) = ( 0.5000000 0.6874756 0.1874756), wk = 0.0027397 k( 308) = ( 0.5000000 0.6781018 0.1781018), wk = 0.0027397 k( 309) = ( 0.5000000 0.6687280 0.1687280), wk = 0.0027397 k( 310) = ( 0.5000000 0.6593542 0.1593542), wk = 0.0027397 k( 311) = ( 0.5000000 0.6499805 0.1499805), wk = 0.0027397 k( 312) = ( 0.5000000 0.6406067 0.1406067), wk = 0.0027397 k( 313) = ( 0.5000000 0.6312329 0.1312329), wk = 0.0027397 k( 314) = ( 0.5000000 0.6218591 0.1218591), wk = 0.0027397 k( 315) = ( 0.5000000 0.6124854 0.1124853), wk = 0.0027397 k( 316) = ( 0.5000000 0.6031116 0.1031116), wk = 0.0027397 k( 317) = ( 0.5000000 0.5937378 0.0937378), wk = 0.0027397 k( 318) = ( 0.5000000 0.5843640 0.0843640), wk = 0.0027397 k( 319) = ( 0.5000000 0.5749902 0.0749902), wk = 0.0027397 k( 320) = ( 0.5000000 0.5656165 0.0656164), wk = 0.0027397 k( 321) = ( 0.5000000 0.5562427 0.0562427), wk = 0.0027397 k( 322) = ( 0.5000000 0.5468689 0.0468689), wk = 0.0027397 k( 323) = ( 0.5000000 0.5374951 0.0374951), wk = 0.0027397 k( 324) = ( 0.5000000 0.5281213 0.0281213), wk = 0.0027397 k( 325) = ( 0.5000000 0.5187476 0.0187476), wk = 0.0027397 k( 326) = ( 0.5000000 0.5093738 0.0093738), wk = 0.0027397 k( 327) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027397 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 329) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0027397 k( 330) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0027397 k( 331) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0027397 k( 332) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0027397 k( 333) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0027397 k( 334) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0027397 k( 335) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0027397 k( 336) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0027397 k( 337) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0027397 k( 338) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0027397 k( 339) = ( 0.3513514 0.3513513 0.3513514), wk = 0.0027397 k( 340) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0027397 k( 341) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0027397 k( 342) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0027397 k( 343) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0027397 k( 344) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0027397 k( 345) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0027397 k( 346) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0027397 k( 347) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0027397 k( 348) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0027397 k( 349) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0027397 k( 350) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0027397 k( 351) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0027397 k( 352) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0027397 k( 353) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0027397 k( 354) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0027397 k( 355) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0027397 k( 356) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0027397 k( 357) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0027397 k( 358) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0027397 k( 359) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0027397 k( 360) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0027397 k( 361) = ( 0.0540540 0.0540541 0.0540540), wk = 0.0027397 k( 362) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0027397 k( 363) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0027397 k( 364) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0027397 k( 365) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 Dense grid: 254675 G-vectors FFT dimensions: ( 162, 162, 60) Smooth grid: 65127 G-vectors FFT dimensions: ( 108, 108, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 352, 50) NL pseudopotentials 0.26 Mb ( 176, 96) Each V/rho on FFT grid 0.80 Mb ( 52488) Each G-vector array 0.04 Mb ( 5307) G-vector shells 0.04 Mb ( 4933) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 352, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.15 Mb ( 96, 2, 50) The potential is recalculated from file : ./BiSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.3 secs Computing kpt #: 2 total cpu time spent up to now is 45.3 secs Computing kpt #: 3 total cpu time spent up to now is 49.3 secs Computing kpt #: 4 total cpu time spent up to now is 53.3 secs Computing kpt #: 5 total cpu time spent up to now is 57.4 secs Computing kpt #: 6 total cpu time spent up to now is 61.4 secs Computing kpt #: 7 total cpu time spent up to now is 65.1 secs Computing kpt #: 8 total cpu time spent up to now is 68.9 secs Computing kpt #: 9 total cpu time spent up to now is 72.6 secs Computing kpt #: 10 total cpu time spent up to now is 76.4 secs Computing kpt #: 11 total cpu time spent up to now is 80.1 secs Computing kpt #: 12 total cpu time spent up to now is 83.9 secs Computing kpt #: 13 total cpu time spent up to now is 87.6 secs Computing kpt #: 14 total cpu time spent up to now is 91.4 secs Computing kpt #: 15 total cpu time spent up to now is 95.3 secs Computing kpt #: 16 total cpu time spent up to now is 99.1 secs Computing kpt #: 17 total cpu time spent up to now is 103.2 secs Computing kpt #: 18 total cpu time spent up to now is 106.9 secs Computing kpt #: 19 total cpu time spent up to now is 110.8 secs Computing kpt #: 20 total cpu time spent up to now is 114.5 secs Computing kpt #: 21 total cpu time spent up to now is 118.2 secs Computing kpt #: 22 total cpu time spent up to now is 121.9 secs Computing kpt #: 23 total cpu time spent up to now is 125.8 secs Computing kpt #: 24 total cpu time spent up to now is 129.4 secs Computing kpt #: 25 total cpu time spent up to now is 133.1 secs Computing kpt #: 26 total cpu time spent up to now is 136.7 secs Computing kpt #: 27 total cpu time spent up to now is 140.3 secs Computing kpt #: 28 total cpu time spent up to now is 144.0 secs Computing kpt #: 29 total cpu time spent up to now is 147.6 secs Computing kpt #: 30 total cpu time spent up to now is 151.4 secs Computing kpt #: 31 total cpu time spent up to now is 155.3 secs Computing kpt #: 32 total cpu time spent up to now is 159.0 secs Computing kpt #: 33 total cpu time spent up to now is 162.7 secs Computing kpt #: 34 total cpu time spent up to now is 166.3 secs Computing kpt #: 35 total cpu time spent up to now is 170.0 secs Computing kpt #: 36 total cpu time spent up to now is 173.7 secs Computing kpt #: 37 total cpu time spent up to now is 177.4 secs Computing kpt #: 38 total cpu time spent up to now is 181.2 secs Computing kpt #: 39 total cpu time spent up to now is 185.0 secs Computing kpt #: 40 total cpu time spent up to now is 188.8 secs Computing kpt #: 41 total cpu time spent up to now is 192.6 secs Computing kpt #: 42 total cpu time spent up to now is 196.4 secs Computing kpt #: 43 total cpu time spent up to now is 200.3 secs Computing kpt #: 44 total cpu time spent up to now is 204.2 secs Computing kpt #: 45 total cpu time spent up to now is 208.1 secs Computing kpt #: 46 total cpu time spent up to now is 212.0 secs Computing kpt #: 47 total cpu time spent up to now is 216.0 secs Computing kpt #: 48 total cpu time spent up to now is 220.0 secs Computing kpt #: 49 total cpu time spent up to now is 223.9 secs Computing kpt #: 50 total cpu time spent up to now is 227.7 secs Computing kpt #: 51 total cpu time spent up to now is 231.6 secs Computing kpt #: 52 total cpu time spent up to now is 235.4 secs Computing kpt #: 53 total cpu time spent up to now is 239.3 secs Computing kpt #: 54 total cpu time spent up to now is 243.1 secs Computing kpt #: 55 total cpu time spent up to now is 247.0 secs Computing kpt #: 56 total cpu time spent up to now is 250.8 secs Computing kpt #: 57 total cpu time spent up to now is 254.6 secs Computing kpt #: 58 total cpu time spent up to now is 258.5 secs Computing kpt #: 59 total cpu time spent up to now is 263.7 secs Computing kpt #: 60 total cpu time spent up to now is 267.6 secs Computing kpt #: 61 total cpu time spent up to now is 271.6 secs Computing kpt #: 62 total cpu time spent up to now is 275.6 secs Computing kpt #: 63 total cpu time spent up to now is 281.2 secs Computing kpt #: 64 total cpu time spent up to now is 285.1 secs Computing kpt #: 65 total cpu time spent up to now is 289.0 secs Computing kpt #: 66 total cpu time spent up to now is 292.8 secs Computing kpt #: 67 total cpu time spent up to now is 296.7 secs Computing kpt #: 68 total cpu time spent up to now is 300.5 secs Computing kpt #: 69 total cpu time spent up to now is 304.6 secs Computing kpt #: 70 total cpu time spent up to now is 308.5 secs Computing kpt #: 71 total cpu time spent up to now is 312.4 secs Computing kpt #: 72 total cpu time spent up to now is 316.2 secs Computing kpt #: 73 total cpu time spent up to now is 320.1 secs Computing kpt #: 74 total cpu time spent up to now is 324.0 secs Computing kpt #: 75 total cpu time spent up to now is 327.9 secs Computing kpt #: 76 total cpu time spent up to now is 331.8 secs Computing kpt #: 77 total cpu time spent up to now is 335.9 secs Computing kpt #: 78 total cpu time spent up to now is 339.7 secs Computing kpt #: 79 total cpu time spent up to now is 343.5 secs Computing kpt #: 80 total cpu time spent up to now is 347.2 secs Computing kpt #: 81 total cpu time spent up to now is 350.9 secs Computing kpt #: 82 total cpu time spent up to now is 354.6 secs Computing kpt #: 83 total cpu time spent up to now is 358.3 secs Computing kpt #: 84 total cpu time spent up to now is 362.0 secs Computing kpt #: 85 total cpu time spent up to now is 365.6 secs Computing kpt #: 86 total cpu time spent up to now is 369.2 secs Computing kpt #: 87 total cpu time spent up to now is 372.8 secs Computing kpt #: 88 total cpu time spent up to now is 376.5 secs Computing kpt #: 89 total cpu time spent up to now is 380.1 secs Computing kpt #: 90 total cpu time spent up to now is 383.8 secs Computing kpt #: 91 total cpu time spent up to now is 387.4 secs Computing kpt #: 92 total cpu time spent up to now is 391.1 secs Computing kpt #: 93 total cpu time spent up to now is 394.6 secs Computing kpt #: 94 total cpu time spent up to now is 398.3 secs Computing kpt #: 95 total cpu time spent up to now is 401.9 secs Computing kpt #: 96 total cpu time spent up to now is 405.6 secs Computing kpt #: 97 total cpu time spent up to now is 409.3 secs Computing kpt #: 98 total cpu time spent up to now is 413.0 secs Computing kpt #: 99 total cpu time spent up to now is 416.7 secs Computing kpt #: 100 total cpu time spent up to now is 420.4 secs Computing kpt #: 101 total cpu time spent up to now is 424.1 secs Computing kpt #: 102 total cpu time spent up to now is 427.8 secs Computing kpt #: 103 total cpu time spent up to now is 431.6 secs Computing kpt #: 104 total cpu time spent up to now is 435.5 secs Computing kpt #: 105 total cpu time spent up to now is 439.3 secs Computing kpt #: 106 total cpu time spent up to now is 443.3 secs Computing kpt #: 107 total cpu time spent up to now is 447.2 secs Computing kpt #: 108 total cpu time spent up to now is 451.1 secs Computing kpt #: 109 total cpu time spent up to now is 454.9 secs Computing kpt #: 110 total cpu time spent up to now is 458.8 secs Computing kpt #: 111 total cpu time spent up to now is 462.8 secs Computing kpt #: 112 total cpu time spent up to now is 466.7 secs Computing kpt #: 113 total cpu time spent up to now is 470.7 secs Computing kpt #: 114 total cpu time spent up to now is 474.9 secs Computing kpt #: 115 total cpu time spent up to now is 479.0 secs Computing kpt #: 116 total cpu time spent up to now is 483.6 secs Computing kpt #: 117 total cpu time spent up to now is 487.6 secs Computing kpt #: 118 total cpu time spent up to now is 491.6 secs Computing kpt #: 119 total cpu time spent up to now is 495.8 secs Computing kpt #: 120 total cpu time spent up to now is 499.8 secs Computing kpt #: 121 total cpu time spent up to now is 504.2 secs Computing kpt #: 122 total cpu time spent up to now is 508.2 secs Computing kpt #: 123 total cpu time spent up to now is 512.1 secs Computing kpt #: 124 total cpu time spent up to now is 516.1 secs Computing kpt #: 125 total cpu time spent up to now is 520.2 secs Computing kpt #: 126 total cpu time spent up to now is 524.1 secs Computing kpt #: 127 total cpu time spent up to now is 528.0 secs Computing kpt #: 128 total cpu time spent up to now is 532.0 secs Computing kpt #: 129 total cpu time spent up to now is 536.0 secs Computing kpt #: 130 total cpu time spent up to now is 539.8 secs Computing kpt #: 131 total cpu time spent up to now is 544.3 secs Computing kpt #: 132 total cpu time spent up to now is 548.3 secs Computing kpt #: 133 total cpu time spent up to now is 552.2 secs Computing kpt #: 134 total cpu time spent up to now is 556.1 secs Computing kpt #: 135 total cpu time spent up to now is 560.1 secs Computing kpt #: 136 total cpu time spent up to now is 563.9 secs Computing kpt #: 137 total cpu time spent up to now is 567.6 secs Computing kpt #: 138 total cpu time spent up to now is 571.4 secs Computing kpt #: 139 total cpu time spent up to now is 575.1 secs Computing kpt #: 140 total cpu time spent up to now is 578.9 secs Computing kpt #: 141 total cpu time spent up to now is 582.6 secs Computing kpt #: 142 total cpu time spent up to now is 586.3 secs Computing kpt #: 143 total cpu time spent up to now is 590.1 secs Computing kpt #: 144 total cpu time spent up to now is 593.8 secs Computing kpt #: 145 total cpu time spent up to now is 597.6 secs Computing kpt #: 146 total cpu time spent up to now is 601.3 secs Computing kpt #: 147 total cpu time spent up to now is 605.1 secs Computing kpt #: 148 total cpu time spent up to now is 608.9 secs Computing kpt #: 149 total cpu time spent up to now is 612.6 secs Computing kpt #: 150 total cpu time spent up to now is 616.3 secs Computing kpt #: 151 total cpu time spent up to now is 620.1 secs Computing kpt #: 152 total cpu time spent up to now is 623.8 secs Computing kpt #: 153 total cpu time spent up to now is 627.5 secs Computing kpt #: 154 total cpu time spent up to now is 631.2 secs Computing kpt #: 155 total cpu time spent up to now is 634.8 secs Computing kpt #: 156 total cpu time spent up to now is 638.4 secs Computing kpt #: 157 total cpu time spent up to now is 642.1 secs Computing kpt #: 158 total cpu time spent up to now is 645.7 secs Computing kpt #: 159 total cpu time spent up to now is 648.9 secs Computing kpt #: 160 total cpu time spent up to now is 652.1 secs Computing kpt #: 161 total cpu time spent up to now is 655.3 secs Computing kpt #: 162 total cpu time spent up to now is 658.4 secs Computing kpt #: 163 total cpu time spent up to now is 661.5 secs Computing kpt #: 164 total cpu time spent up to now is 664.8 secs Computing kpt #: 165 total cpu time spent up to now is 668.4 secs Computing kpt #: 166 total cpu time spent up to now is 672.1 secs Computing kpt #: 167 total cpu time spent up to now is 675.8 secs Computing kpt #: 168 total cpu time spent up to now is 679.6 secs Computing kpt #: 169 total cpu time spent up to now is 683.4 secs Computing kpt #: 170 total cpu time spent up to now is 687.2 secs Computing kpt #: 171 total cpu time spent up to now is 691.2 secs Computing kpt #: 172 total cpu time spent up to now is 695.1 secs Computing kpt #: 173 total cpu time spent up to now is 699.1 secs Computing kpt #: 174 total cpu time spent up to now is 703.1 secs Computing kpt #: 175 total cpu time spent up to now is 706.9 secs Computing kpt #: 176 total cpu time spent up to now is 710.6 secs Computing kpt #: 177 total cpu time spent up to now is 714.5 secs Computing kpt #: 178 total cpu time spent up to now is 718.3 secs Computing kpt #: 179 total cpu time spent up to now is 722.1 secs Computing kpt #: 180 total cpu time spent up to now is 726.0 secs Computing kpt #: 181 total cpu time spent up to now is 729.9 secs Computing kpt #: 182 total cpu time spent up to now is 733.7 secs Computing kpt #: 183 total cpu time spent up to now is 737.5 secs Computing kpt #: 184 total cpu time spent up to now is 741.4 secs Computing kpt #: 185 total cpu time spent up to now is 745.3 secs Computing kpt #: 186 total cpu time spent up to now is 749.1 secs Computing kpt #: 187 total cpu time spent up to now is 753.0 secs Computing kpt #: 188 total cpu time spent up to now is 756.9 secs Computing kpt #: 189 total cpu time spent up to now is 760.7 secs Computing kpt #: 190 total cpu time spent up to now is 764.5 secs Computing kpt #: 191 total cpu time spent up to now is 768.3 secs Computing kpt #: 192 total cpu time spent up to now is 772.1 secs Computing kpt #: 193 total cpu time spent up to now is 776.0 secs Computing kpt #: 194 total cpu time spent up to now is 779.9 secs Computing kpt #: 195 total cpu time spent up to now is 783.7 secs Computing kpt #: 196 total cpu time spent up to now is 787.4 secs Computing kpt #: 197 total cpu time spent up to now is 791.3 secs Computing kpt #: 198 total cpu time spent up to now is 795.1 secs Computing kpt #: 199 total cpu time spent up to now is 798.7 secs Computing kpt #: 200 total cpu time spent up to now is 802.3 secs Computing kpt #: 201 total cpu time spent up to now is 806.0 secs Computing kpt #: 202 total cpu time spent up to now is 809.6 secs Computing kpt #: 203 total cpu time spent up to now is 813.2 secs Computing kpt #: 204 total cpu time spent up to now is 816.8 secs Computing kpt #: 205 total cpu time spent up to now is 820.3 secs Computing kpt #: 206 total cpu time spent up to now is 823.9 secs Computing kpt #: 207 total cpu time spent up to now is 827.5 secs Computing kpt #: 208 total cpu time spent up to now is 831.2 secs Computing kpt #: 209 total cpu time spent up to now is 834.9 secs Computing kpt #: 210 total cpu time spent up to now is 838.5 secs Computing kpt #: 211 total cpu time spent up to now is 842.1 secs Computing kpt #: 212 total cpu time spent up to now is 845.7 secs Computing kpt #: 213 total cpu time spent up to now is 849.3 secs Computing kpt #: 214 total cpu time spent up to now is 852.5 secs Computing kpt #: 215 total cpu time spent up to now is 855.7 secs Computing kpt #: 216 total cpu time spent up to now is 859.0 secs Computing kpt #: 217 total cpu time spent up to now is 862.6 secs Computing kpt #: 218 total cpu time spent up to now is 866.3 secs Computing kpt #: 219 total cpu time spent up to now is 869.9 secs Computing kpt #: 220 total cpu time spent up to now is 873.5 secs Computing kpt #: 221 total cpu time spent up to now is 877.1 secs Computing kpt #: 222 total cpu time spent up to now is 880.7 secs Computing kpt #: 223 total cpu time spent up to now is 884.4 secs Computing kpt #: 224 total cpu time spent up to now is 888.1 secs Computing kpt #: 225 total cpu time spent up to now is 891.8 secs Computing kpt #: 226 total cpu time spent up to now is 895.5 secs Computing kpt #: 227 total cpu time spent up to now is 898.7 secs Computing kpt #: 228 total cpu time spent up to now is 902.5 secs Computing kpt #: 229 total cpu time spent up to now is 906.2 secs Computing kpt #: 230 total cpu time spent up to now is 909.8 secs Computing kpt #: 231 total cpu time spent up to now is 913.5 secs Computing kpt #: 232 total cpu time spent up to now is 917.1 secs Computing kpt #: 233 total cpu time spent up to now is 920.7 secs Computing kpt #: 234 total cpu time spent up to now is 924.4 secs Computing kpt #: 235 total cpu time spent up to now is 927.9 secs Computing kpt #: 236 total cpu time spent up to now is 931.6 secs Computing kpt #: 237 total cpu time spent up to now is 935.5 secs Computing kpt #: 238 total cpu time spent up to now is 939.1 secs Computing kpt #: 239 total cpu time spent up to now is 942.9 secs Computing kpt #: 240 total cpu time spent up to now is 946.5 secs Computing kpt #: 241 total cpu time spent up to now is 950.2 secs Computing kpt #: 242 total cpu time spent up to now is 953.9 secs Computing kpt #: 243 total cpu time spent up to now is 957.6 secs Computing kpt #: 244 total cpu time spent up to now is 961.3 secs Computing kpt #: 245 total cpu time spent up to now is 965.1 secs Computing kpt #: 246 total cpu time spent up to now is 968.9 secs Computing kpt #: 247 total cpu time spent up to now is 972.6 secs Computing kpt #: 248 total cpu time spent up to now is 976.4 secs Computing kpt #: 249 total cpu time spent up to now is 980.1 secs Computing kpt #: 250 total cpu time spent up to now is 983.9 secs Computing kpt #: 251 total cpu time spent up to now is 987.8 secs Computing kpt #: 252 total cpu time spent up to now is 991.6 secs Computing kpt #: 253 total cpu time spent up to now is 995.3 secs Computing kpt #: 254 total cpu time spent up to now is 999.2 secs Computing kpt #: 255 total cpu time spent up to now is 1003.0 secs Computing kpt #: 256 total cpu time spent up to now is 1006.8 secs Computing kpt #: 257 total cpu time spent up to now is 1010.7 secs Computing kpt #: 258 total cpu time spent up to now is 1014.6 secs Computing kpt #: 259 total cpu time spent up to now is 1018.4 secs Computing kpt #: 260 total cpu time spent up to now is 1022.3 secs Computing kpt #: 261 total cpu time spent up to now is 1026.1 secs Computing kpt #: 262 total cpu time spent up to now is 1029.9 secs Computing kpt #: 263 total cpu time spent up to now is 1033.8 secs Computing kpt #: 264 total cpu time spent up to now is 1037.7 secs Computing kpt #: 265 total cpu time spent up to now is 1041.6 secs Computing kpt #: 266 total cpu time spent up to now is 1045.4 secs Computing kpt #: 267 total cpu time spent up to now is 1049.2 secs Computing kpt #: 268 total cpu time spent up to now is 1053.1 secs Computing kpt #: 269 total cpu time spent up to now is 1056.9 secs Computing kpt #: 270 total cpu time spent up to now is 1060.8 secs Computing kpt #: 271 total cpu time spent up to now is 1064.7 secs Computing kpt #: 272 total cpu time spent up to now is 1068.5 secs Computing kpt #: 273 total cpu time spent up to now is 1072.3 secs Computing kpt #: 274 total cpu time spent up to now is 1076.2 secs Computing kpt #: 275 total cpu time spent up to now is 1080.0 secs Computing kpt #: 276 total cpu time spent up to now is 1083.8 secs Computing kpt #: 277 total cpu time spent up to now is 1087.7 secs Computing kpt #: 278 total cpu time spent up to now is 1091.5 secs Computing kpt #: 279 total cpu time spent up to now is 1095.3 secs Computing kpt #: 280 total cpu time spent up to now is 1099.1 secs Computing kpt #: 281 total cpu time spent up to now is 1103.0 secs Computing kpt #: 282 total cpu time spent up to now is 1106.8 secs Computing kpt #: 283 total cpu time spent up to now is 1110.6 secs Computing kpt #: 284 total cpu time spent up to now is 1114.4 secs Computing kpt #: 285 total cpu time spent up to now is 1118.3 secs Computing kpt #: 286 total cpu time spent up to now is 1122.3 secs Computing kpt #: 287 total cpu time spent up to now is 1126.2 secs Computing kpt #: 288 total cpu time spent up to now is 1130.0 secs Computing kpt #: 289 total cpu time spent up to now is 1133.8 secs Computing kpt #: 290 total cpu time spent up to now is 1137.6 secs Computing kpt #: 291 total cpu time spent up to now is 1141.3 secs Computing kpt #: 292 total cpu time spent up to now is 1144.9 secs Computing kpt #: 293 total cpu time spent up to now is 1148.5 secs Computing kpt #: 294 total cpu time spent up to now is 1152.2 secs Computing kpt #: 295 total cpu time spent up to now is 1155.3 secs Computing kpt #: 296 total cpu time spent up to now is 1158.5 secs Computing kpt #: 297 total cpu time spent up to now is 1162.1 secs Computing kpt #: 298 total cpu time spent up to now is 1165.3 secs Computing kpt #: 299 total cpu time spent up to now is 1168.4 secs Computing kpt #: 300 total cpu time spent up to now is 1171.7 secs Computing kpt #: 301 total cpu time spent up to now is 1174.9 secs Computing kpt #: 302 total cpu time spent up to now is 1178.1 secs Computing kpt #: 303 total cpu time spent up to now is 1181.8 secs Computing kpt #: 304 total cpu time spent up to now is 1185.4 secs Computing kpt #: 305 total cpu time spent up to now is 1189.0 secs Computing kpt #: 306 total cpu time spent up to now is 1192.7 secs Computing kpt #: 307 total cpu time spent up to now is 1196.3 secs Computing kpt #: 308 total cpu time spent up to now is 1200.0 secs Computing kpt #: 309 total cpu time spent up to now is 1203.7 secs Computing kpt #: 310 total cpu time spent up to now is 1207.5 secs Computing kpt #: 311 total cpu time spent up to now is 1211.4 secs Computing kpt #: 312 total cpu time spent up to now is 1215.2 secs Computing kpt #: 313 total cpu time spent up to now is 1219.0 secs Computing kpt #: 314 total cpu time spent up to now is 1222.7 secs Computing kpt #: 315 total cpu time spent up to now is 1226.6 secs Computing kpt #: 316 total cpu time spent up to now is 1230.5 secs Computing kpt #: 317 total cpu time spent up to now is 1234.3 secs Computing kpt #: 318 total cpu time spent up to now is 1238.0 secs Computing kpt #: 319 total cpu time spent up to now is 1241.8 secs Computing kpt #: 320 total cpu time spent up to now is 1245.6 secs Computing kpt #: 321 total cpu time spent up to now is 1249.5 secs Computing kpt #: 322 total cpu time spent up to now is 1253.4 secs Computing kpt #: 323 total cpu time spent up to now is 1257.3 secs Computing kpt #: 324 total cpu time spent up to now is 1261.3 secs Computing kpt #: 325 total cpu time spent up to now is 1265.6 secs Computing kpt #: 326 total cpu time spent up to now is 1269.6 secs Computing kpt #: 327 total cpu time spent up to now is 1273.7 secs Computing kpt #: 328 total cpu time spent up to now is 1277.5 secs Computing kpt #: 329 total cpu time spent up to now is 1281.2 secs Computing kpt #: 330 total cpu time spent up to now is 1284.4 secs Computing kpt #: 331 total cpu time spent up to now is 1287.5 secs Computing kpt #: 332 total cpu time spent up to now is 1290.7 secs Computing kpt #: 333 total cpu time spent up to now is 1293.9 secs Computing kpt #: 334 total cpu time spent up to now is 1297.0 secs Computing kpt #: 335 total cpu time spent up to now is 1300.1 secs Computing kpt #: 336 total cpu time spent up to now is 1303.4 secs Computing kpt #: 337 total cpu time spent up to now is 1306.5 secs Computing kpt #: 338 total cpu time spent up to now is 1309.7 secs Computing kpt #: 339 total cpu time spent up to now is 1312.8 secs Computing kpt #: 340 total cpu time spent up to now is 1315.9 secs Computing kpt #: 341 total cpu time spent up to now is 1319.2 secs Computing kpt #: 342 total cpu time spent up to now is 1322.4 secs Computing kpt #: 343 total cpu time spent up to now is 1326.0 secs Computing kpt #: 344 total cpu time spent up to now is 1329.7 secs Computing kpt #: 345 total cpu time spent up to now is 1333.4 secs Computing kpt #: 346 total cpu time spent up to now is 1337.2 secs Computing kpt #: 347 total cpu time spent up to now is 1341.0 secs Computing kpt #: 348 total cpu time spent up to now is 1344.7 secs Computing kpt #: 349 total cpu time spent up to now is 1348.4 secs Computing kpt #: 350 total cpu time spent up to now is 1352.2 secs Computing kpt #: 351 total cpu time spent up to now is 1356.0 secs Computing kpt #: 352 total cpu time spent up to now is 1359.8 secs Computing kpt #: 353 total cpu time spent up to now is 1363.5 secs Computing kpt #: 354 total cpu time spent up to now is 1367.5 secs Computing kpt #: 355 total cpu time spent up to now is 1371.2 secs Computing kpt #: 356 total cpu time spent up to now is 1375.0 secs Computing kpt #: 357 total cpu time spent up to now is 1378.7 secs Computing kpt #: 358 total cpu time spent up to now is 1382.5 secs Computing kpt #: 359 total cpu time spent up to now is 1386.3 secs Computing kpt #: 360 total cpu time spent up to now is 1390.1 secs Computing kpt #: 361 total cpu time spent up to now is 1394.0 secs Computing kpt #: 362 total cpu time spent up to now is 1398.0 secs Computing kpt #: 363 total cpu time spent up to now is 1401.9 secs Computing kpt #: 364 total cpu time spent up to now is 1405.9 secs Computing kpt #: 365 total cpu time spent up to now is 1410.1 secs ethr = 2.38E-11, avg # of iterations = 25.9 total cpu time spent up to now is 1410.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8149 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2015 -2.2015 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1897 2.1897 4.4204 4.4204 4.7999 4.7999 5.2614 5.2614 5.8900 5.8900 k = 0.0100-0.0276 0.0270 ( 8157 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8993 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8577 -11.8577 -10.3838 -10.3837 -7.6273 -7.6273 -6.0413 -6.0413 -2.2012 -2.2006 -1.6913 -1.6913 -0.8733 -0.8728 -0.6528 -0.6518 0.3466 0.3472 1.1516 1.1518 2.1897 2.1902 4.4089 4.4099 4.7973 4.7977 5.2572 5.2603 5.8900 5.8974 k = 0.0200-0.0552 0.0540 ( 8159 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8901 -21.8764 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8993 -18.8965 -18.8964 -18.8933 -18.8933 -18.8846 -18.8846 -11.8547 -11.8546 -10.3821 -10.3819 -7.6320 -7.6319 -6.0477 -6.0477 -2.1999 -2.1987 -1.6936 -1.6935 -0.8620 -0.8610 -0.6548 -0.6528 0.3557 0.3569 1.1478 1.1482 2.1904 2.1914 4.3758 4.3778 4.7892 4.7900 5.2482 5.2539 5.8975 5.9119 k = 0.0300-0.0828 0.0811 ( 8145 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9174 -18.9174 -18.8993 -18.8992 -18.8964 -18.8963 -18.8934 -18.8933 -18.8846 -18.8846 -11.8497 -11.8496 -10.3792 -10.3790 -7.6397 -7.6397 -6.0584 -6.0583 -2.1976 -2.1959 -1.6974 -1.6974 -0.8430 -0.8415 -0.6580 -0.6550 0.3710 0.3729 1.1417 1.1422 2.1916 2.1931 4.3229 4.3255 4.7739 4.7754 5.2354 5.2428 5.9124 5.9330 k = 0.0400-0.1105 0.1081 ( 8145 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9174 -18.9174 -18.8992 -18.8992 -18.8963 -18.8962 -18.8934 -18.8933 -18.8847 -18.8847 -11.8426 -11.8425 -10.3753 -10.3749 -7.6504 -7.6503 -6.0731 -6.0731 -2.1945 -2.1921 -1.7029 -1.7028 -0.8161 -0.8140 -0.6627 -0.6586 0.3925 0.3950 1.1332 1.1339 2.1931 2.1951 4.2521 4.2550 4.7487 4.7511 5.2203 5.2284 5.9344 5.9590 k = 0.0500-0.1381 0.1351 ( 8149 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9174 -18.9174 -18.8991 -18.8990 -18.8963 -18.8961 -18.8935 -18.8934 -18.8848 -18.8848 -11.8336 -11.8334 -10.3702 -10.3698 -7.6638 -7.6637 -6.0917 -6.0917 -2.1907 -2.1877 -1.7099 -1.7098 -0.7813 -0.7786 -0.6692 -0.6638 0.4199 0.4231 1.1226 1.1236 2.1944 2.1971 4.1661 4.1691 4.7110 4.7144 5.2050 5.2127 5.9550 5.9602 k = 0.0600-0.1657 0.1621 ( 8141 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8762 -21.8741 -21.8741 -18.9281 -18.9281 -18.9174 -18.9174 -18.8990 -18.8989 -18.8961 -18.8960 -18.8936 -18.8934 -18.8849 -18.8849 -11.8226 -11.8224 -10.3641 -10.3636 -7.6797 -7.6796 -6.1141 -6.1140 -2.1864 -2.1828 -1.7184 -1.7183 -0.7392 -0.7354 -0.6777 -0.6704 0.4529 0.4566 1.1101 1.1113 2.1953 2.1986 4.0681 4.0709 4.6579 4.6623 5.1913 5.1979 5.9208 5.9324 k = 0.0700-0.1933 0.1891 ( 8135 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8900 -21.8763 -21.8762 -21.8741 -21.8740 -18.9280 -18.9280 -18.9174 -18.9174 -18.8988 -18.8988 -18.8960 -18.8958 -18.8937 -18.8935 -18.8851 -18.8851 -11.8096 -11.8094 -10.3569 -10.3563 -7.6979 -7.6977 -6.1398 -6.1397 -2.1821 -2.1778 -1.7282 -1.7280 -0.6979 -0.6935 -0.6794 -0.6708 0.4906 0.4949 1.0960 1.0974 2.1950 2.1990 3.9613 3.9637 4.5879 4.5927 5.1808 5.1860 5.8878 5.8980 k = 0.0800-0.2209 0.2162 ( 8139 PWs) bands (ev): -21.8905 -21.8905 -21.8900 -21.8900 -21.8762 -21.8762 -21.8740 -21.8740 -18.9279 -18.9279 -18.9173 -18.9173 -18.8986 -18.8986 -18.8959 -18.8957 -18.8938 -18.8935 -18.8853 -18.8852 -11.7947 -11.7944 -10.3488 -10.3482 -7.7181 -7.7179 -6.1688 -6.1687 -2.1782 -2.1732 -1.7387 -1.7386 -0.7043 -0.6991 -0.6233 -0.6231 0.5319 0.5369 1.0806 1.0824 2.1928 2.1976 3.8496 3.8515 4.5003 4.5053 5.1742 5.1780 5.8582 5.8668 k = 0.0900-0.2485 0.2432 ( 8133 PWs) bands (ev): -21.8905 -21.8905 -21.8900 -21.8900 -21.8762 -21.8761 -21.8740 -21.8740 -18.9278 -18.9278 -18.9173 -18.9173 -18.8985 -18.8984 -18.8957 -18.8955 -18.8939 -18.8936 -18.8854 -18.8854 -11.7779 -11.7776 -10.3399 -10.3392 -7.7399 -7.7397 -6.2006 -6.2005 -2.1753 -2.1695 -1.7494 -1.7492 -0.7211 -0.7137 -0.5575 -0.5562 0.5750 0.5806 1.0646 1.0667 2.1880 2.1937 3.7370 3.7384 4.3963 4.4007 5.1715 5.1739 5.8327 5.8396 k = 0.1000-0.2761 0.2702 ( 8121 PWs) bands (ev): -21.8905 -21.8904 -21.8900 -21.8899 -21.8762 -21.8761 -21.8740 -21.8739 -18.9277 -18.9277 -18.9173 -18.9172 -18.8982 -18.8982 -18.8955 -18.8953 -18.8940 -18.8937 -18.8856 -18.8856 -11.7591 -11.7588 -10.3301 -10.3293 -7.7631 -7.7629 -6.2350 -6.2349 -2.1742 -2.1676 -1.7594 -1.7591 -0.7409 -0.7320 -0.4836 -0.4818 0.6177 0.6239 1.0485 1.0509 2.1797 2.1865 3.6278 3.6288 4.2775 4.2812 5.1719 5.1733 5.8113 5.8168 k = 0.1100-0.3038 0.2972 ( 8133 PWs) bands (ev): -21.8904 -21.8904 -21.8899 -21.8899 -21.8761 -21.8760 -21.8739 -21.8739 -18.9276 -18.9276 -18.9172 -18.9172 -18.8980 -18.8979 -18.8954 -18.8951 -18.8941 -18.8937 -18.8859 -18.8859 -11.7386 -11.7382 -10.3197 -10.3188 -7.7874 -7.7871 -6.2716 -6.2715 -2.1757 -2.1682 -1.7676 -1.7672 -0.7636 -0.7534 -0.4026 -0.4005 0.6569 0.6635 1.0330 1.0356 2.1677 2.1757 3.5261 3.5269 4.1465 4.1493 5.1748 5.1753 5.7941 5.7983 k = 0.1200-0.3314 0.3242 ( 8129 PWs) bands (ev): -21.8904 -21.8904 -21.8899 -21.8898 -21.8761 -21.8760 -21.8739 -21.8739 -18.9275 -18.9274 -18.9172 -18.9172 -18.8978 -18.8977 -18.8952 -18.8949 -18.8942 -18.8938 -18.8861 -18.8861 -11.7162 -11.7158 -10.3086 -10.3076 -7.8123 -7.8120 -6.3101 -6.3100 -2.1806 -2.1724 -1.7729 -1.7725 -0.7891 -0.7776 -0.3153 -0.3130 0.6889 0.6957 1.0181 1.0208 2.1525 2.1619 3.4356 3.4367 4.0062 4.0082 5.1790 5.1793 5.7809 5.7840 k = 0.1300-0.3590 0.3513 ( 8133 PWs) bands (ev): -21.8904 -21.8904 -21.8898 -21.8898 -21.8760 -21.8759 -21.8739 -21.8738 -18.9274 -18.9273 -18.9171 -18.9171 -18.8976 -18.8974 -18.8951 -18.8948 -18.8942 -18.8937 -18.8864 -18.8864 -11.6920 -11.6916 -10.2970 -10.2960 -7.8374 -7.8371 -6.3503 -6.3502 -2.1899 -2.1809 -1.7743 -1.7740 -0.8172 -0.8043 -0.2224 -0.2199 0.7108 0.7173 1.0023 1.0049 2.1366 2.1472 3.3586 3.3605 3.8601 3.8617 5.1836 5.1845 5.7715 5.7737 k = 0.1400-0.3866 0.3783 ( 8143 PWs) bands (ev): -21.8904 -21.8904 -21.8898 -21.8897 -21.8760 -21.8759 -21.8738 -21.8738 -18.9272 -18.9272 -18.9171 -18.9171 -18.8973 -18.8971 -18.8950 -18.8949 -18.8940 -18.8937 -18.8867 -18.8867 -11.6661 -11.6657 -10.2851 -10.2840 -7.8626 -7.8622 -6.3918 -6.3917 -2.2039 -2.1943 -1.7711 -1.7709 -0.8477 -0.8334 -0.1248 -0.1222 0.7208 0.7266 0.9816 0.9841 2.1242 2.1358 3.2948 3.2983 3.7131 3.7150 5.1884 5.1897 5.7655 5.7671 k = 0.1500-0.4142 0.4053 ( 8135 PWs) bands (ev): -21.8904 -21.8903 -21.8897 -21.8897 -21.8760 -21.8758 -21.8738 -21.8737 -18.9271 -18.9270 -18.9170 -18.9170 -18.8971 -18.8969 -18.8950 -18.8950 -18.8937 -18.8935 -18.8870 -18.8869 -11.6386 -11.6381 -10.2729 -10.2717 -7.8873 -7.8869 -6.4343 -6.4342 -2.2227 -2.2126 -1.7630 -1.7629 -0.8804 -0.8647 -0.0237 -0.0210 0.7198 0.7246 0.9493 0.9517 2.1213 2.1335 3.2378 3.2441 3.5742 3.5778 5.1925 5.1942 5.7629 5.7640 k = 0.1600-0.4418 0.4323 ( 8133 PWs) bands (ev): -21.8903 -21.8903 -21.8897 -21.8896 -21.8759 -21.8757 -21.8737 -21.8737 -18.9269 -18.9269 -18.9170 -18.9170 -18.8969 -18.8966 -18.8951 -18.8950 -18.8934 -18.8933 -18.8873 -18.8872 -11.6095 -11.6090 -10.2605 -10.2593 -7.9112 -7.9108 -6.4774 -6.4774 -2.2462 -2.2356 -1.7503 -1.7498 -0.9151 -0.8978 0.0794 0.0821 0.7103 0.7136 0.8984 0.9013 2.1333 2.1454 3.1708 3.1811 3.4623 3.4689 5.1954 5.1974 5.7634 5.7641 k = 0.1700-0.4694 0.4594 ( 8131 PWs) bands (ev): -21.8903 -21.8903 -21.8896 -21.8895 -21.8759 -21.8757 -21.8737 -21.8736 -18.9268 -18.9268 -18.9169 -18.9169 -18.8967 -18.8964 -18.8952 -18.8950 -18.8931 -18.8930 -18.8876 -18.8875 -11.5788 -11.5782 -10.2482 -10.2469 -7.9340 -7.9336 -6.5211 -6.5210 -2.2738 -2.2628 -1.7332 -1.7322 -0.9516 -0.9325 0.1823 0.1850 0.6957 0.6970 0.8255 0.8287 2.1630 2.1742 3.0729 3.0856 3.4023 3.4107 5.1965 5.1988 5.7669 5.7672 k = 0.1800-0.4971 0.4864 ( 8127 PWs) bands (ev): -21.8903 -21.8903 -21.8895 -21.8895 -21.8758 -21.8756 -21.8737 -21.8736 -18.9267 -18.9266 -18.9169 -18.9168 -18.8967 -18.8964 -18.8951 -18.8949 -18.8927 -18.8927 -18.8879 -18.8879 -11.5466 -11.5460 -10.2360 -10.2346 -7.9554 -7.9549 -6.5649 -6.5648 -2.3048 -2.2936 -1.7121 -1.7104 -0.9896 -0.9685 0.2814 0.2839 0.6755 0.6796 0.7337 0.7345 2.2086 2.2183 2.9493 2.9617 3.3925 3.4005 5.1955 5.1980 5.7730 5.7731 k = 0.1900-0.5247 0.5134 ( 8127 PWs) bands (ev): -21.8903 -21.8902 -21.8895 -21.8894 -21.8758 -21.8756 -21.8736 -21.8735 -18.9265 -18.9265 -18.9168 -18.9168 -18.8967 -18.8965 -18.8950 -18.8948 -18.8924 -18.8924 -18.8882 -18.8882 -11.5130 -11.5125 -10.2241 -10.2227 -7.9750 -7.9745 -6.6086 -6.6086 -2.3387 -2.3272 -1.6877 -1.6852 -1.0289 -1.0057 0.3695 0.3717 0.6048 0.6189 0.6710 0.6770 2.2641 2.2708 2.8222 2.8327 3.4142 3.4216 5.1921 5.1947 5.7816 5.7816 k = 0.2000-0.5523 0.5404 ( 8125 PWs) bands (ev): -21.8902 -21.8902 -21.8894 -21.8893 -21.8757 -21.8755 -21.8736 -21.8735 -18.9264 -18.9264 -18.9167 -18.9167 -18.8969 -18.8967 -18.8947 -18.8946 -18.8921 -18.8920 -18.8885 -18.8885 -11.4782 -11.4776 -10.2127 -10.2112 -7.9926 -7.9921 -6.6520 -6.6520 -2.3747 -2.3630 -1.6603 -1.6568 -1.0695 -1.0438 0.4270 0.4337 0.4848 0.4917 0.6769 0.6769 2.3153 2.3162 2.7162 2.7219 3.4567 3.4635 5.1862 5.1890 5.7924 5.7926 k = 0.2100-0.5799 0.5674 ( 8125 PWs) bands (ev): -21.8902 -21.8902 -21.8893 -21.8893 -21.8757 -21.8755 -21.8735 -21.8735 -18.9262 -18.9262 -18.9167 -18.9166 -18.8971 -18.8969 -18.8944 -18.8943 -18.8917 -18.8917 -18.8889 -18.8888 -11.4421 -11.4415 -10.2019 -10.2004 -8.0079 -8.0074 -6.6949 -6.6949 -2.4124 -2.4005 -1.6307 -1.6260 -1.1111 -1.0825 0.3289 0.3475 0.4630 0.4684 0.7066 0.7099 2.3231 2.3323 2.6639 2.6674 3.5150 3.5215 5.1780 5.1809 5.8053 5.8058 k = 0.2200-0.6075 0.5945 ( 8125 PWs) bands (ev): -21.8902 -21.8901 -21.8893 -21.8892 -21.8756 -21.8754 -21.8735 -21.8734 -18.9261 -18.9261 -18.9166 -18.9166 -18.8973 -18.8972 -18.8940 -18.8940 -18.8914 -18.8913 -18.8892 -18.8891 -11.4049 -11.4042 -10.1918 -10.1902 -8.0207 -8.0202 -6.7371 -6.7370 -2.4513 -2.4391 -1.5993 -1.5929 -1.1536 -1.1215 0.1798 0.1995 0.4569 0.4618 0.7532 0.7580 2.2768 2.2938 2.6846 2.6951 3.5868 3.5932 5.1677 5.1706 5.8201 5.8209 k = 0.2300-0.6351 0.6215 ( 8121 PWs) bands (ev): -21.8902 -21.8901 -21.8892 -21.8891 -21.8756 -21.8754 -21.8735 -21.8734 -18.9260 -18.9260 -18.9166 -18.9165 -18.8976 -18.8976 -18.8938 -18.8937 -18.8910 -18.8910 -18.8894 -18.8893 -11.3667 -11.3660 -10.1825 -10.1809 -8.0308 -8.0303 -6.7783 -6.7783 -2.4911 -2.4786 -1.5668 -1.5582 -1.1970 -1.1604 0.0241 0.0462 0.4354 0.4400 0.7932 0.7983 2.2148 2.2345 2.7550 2.7677 3.6706 3.6770 5.1558 5.1587 5.8367 5.8379 k = 0.2400-0.6627 0.6485 ( 8125 PWs) bands (ev): -21.8901 -21.8901 -21.8891 -21.8891 -21.8755 -21.8753 -21.8734 -21.8733 -18.9259 -18.9259 -18.9165 -18.9165 -18.8979 -18.8979 -18.8935 -18.8934 -18.8907 -18.8907 -18.8896 -18.8895 -11.3276 -11.3269 -10.1742 -10.1726 -8.0380 -8.0374 -6.8185 -6.8184 -2.5312 -2.5186 -1.5340 -1.5222 -1.2412 -1.1987 -0.1346 -0.1098 0.4068 0.4110 0.8098 0.8145 2.1706 2.1909 2.8449 2.8583 3.7654 3.7718 5.1428 5.1458 5.8548 5.8565 k = 0.2500-0.6903 0.6755 ( 8133 PWs) bands (ev): -21.8901 -21.8901 -21.8890 -21.8890 -21.8755 -21.8753 -21.8734 -21.8733 -18.9258 -18.9258 -18.9164 -18.9164 -18.8983 -18.8982 -18.8933 -18.8932 -18.8906 -18.8905 -18.8895 -18.8895 -11.2877 -11.2870 -10.1669 -10.1653 -8.0421 -8.0416 -6.8575 -6.8574 -2.5715 -2.5587 -1.5025 -1.4854 -1.2862 -1.2353 -0.2944 -0.2662 0.3745 0.3785 0.7939 0.7976 2.1593 2.1791 2.9423 2.9562 3.8700 3.8766 5.1294 5.1324 5.8745 5.8765 k = 0.2600-0.7180 0.7025 ( 8129 PWs) bands (ev): -21.8901 -21.8900 -21.8890 -21.8889 -21.8754 -21.8752 -21.8734 -21.8733 -18.9257 -18.9257 -18.9164 -18.9163 -18.8986 -18.8986 -18.8932 -18.8930 -18.8905 -18.8903 -18.8893 -18.8893 -11.2472 -11.2465 -10.1608 -10.1592 -8.0432 -8.0427 -6.8951 -6.8949 -2.6117 -2.5987 -1.4751 -1.4493 -1.3313 -1.2678 -0.4534 -0.4211 0.3402 0.3441 0.7443 0.7466 2.1839 2.2028 3.0429 3.0572 3.9831 3.9901 5.1164 5.1196 5.8955 5.8980 k = 0.2700-0.7456 0.7296 ( 8133 PWs) bands (ev): -21.8900 -21.8900 -21.8889 -21.8888 -21.8754 -21.8752 -21.8733 -21.8733 -18.9256 -18.9256 -18.9163 -18.9163 -18.8990 -18.8990 -18.8932 -18.8929 -18.8904 -18.8902 -18.8891 -18.8890 -11.2062 -11.2055 -10.1558 -10.1542 -8.0411 -8.0407 -6.9311 -6.9310 -2.6515 -2.6383 -1.4582 -1.4215 -1.3697 -1.2905 -0.6099 -0.5727 0.3043 0.3083 0.6664 0.6672 2.2398 2.2575 3.1444 3.1593 4.1032 4.1104 5.1049 5.1083 5.9178 5.9207 k = 0.2800-0.7732 0.7566 ( 8129 PWs) bands (ev): -21.8900 -21.8900 -21.8888 -21.8888 -21.8754 -21.8752 -21.8733 -21.8732 -18.9255 -18.9255 -18.9163 -18.9162 -18.8994 -18.8993 -18.8933 -18.8930 -18.8903 -18.8901 -18.8887 -18.8887 -11.1649 -11.1642 -10.1519 -10.1503 -8.0360 -8.0356 -6.9656 -6.9654 -2.6908 -2.6775 -1.4617 -1.4448 -1.3603 -1.2950 -0.7621 -0.7188 0.2667 0.2709 0.5683 0.5686 2.3188 2.3355 3.2460 3.2616 4.2280 4.2357 5.0962 5.0998 5.9412 5.9445 k = 0.2900-0.8008 0.7836 ( 8133 PWs) bands (ev): -21.8900 -21.8899 -21.8887 -21.8887 -21.8753 -21.8752 -21.8733 -21.8732 -18.9254 -18.9254 -18.9162 -18.9162 -18.8998 -18.8997 -18.8934 -18.8932 -18.8901 -18.8898 -18.8884 -18.8883 -11.1234 -11.1227 -10.1492 -10.1477 -8.0279 -8.0275 -6.9983 -6.9981 -2.7293 -2.7159 -1.4968 -1.4882 -1.3275 -1.2803 -0.9074 -0.8567 0.2261 0.2310 0.4593 0.4600 2.4134 2.4294 3.3473 3.3635 4.3550 4.3632 5.0923 5.0962 5.9657 5.9693 k = 0.3000-0.8284 0.8106 ( 8123 PWs) bands (ev): -21.8900 -21.8899 -21.8887 -21.8886 -21.8753 -21.8751 -21.8733 -21.8732 -18.9254 -18.9253 -18.9162 -18.9161 -18.9002 -18.9001 -18.8936 -18.8934 -18.8898 -18.8896 -18.8880 -18.8880 -11.0820 -11.0812 -10.1477 -10.1462 -8.0168 -8.0164 -7.0292 -7.0290 -2.7670 -2.7534 -1.5575 -1.5319 -1.2953 -1.2560 -1.0419 -0.9821 0.1780 0.1842 0.3509 0.3512 2.5174 2.5329 3.4478 3.4648 4.4805 4.4890 5.0960 5.1001 5.9911 5.9950 k = 0.3100-0.8560 0.8376 ( 8125 PWs) bands (ev): -21.8899 -21.8899 -21.8886 -21.8886 -21.8753 -21.8751 -21.8733 -21.8732 -18.9253 -18.9253 -18.9161 -18.9160 -18.9006 -18.9005 -18.8939 -18.8936 -18.8895 -18.8893 -18.8877 -18.8876 -11.0407 -11.0399 -10.1472 -10.1457 -8.0030 -8.0027 -7.0583 -7.0581 -2.8036 -2.7899 -1.6268 -1.5898 -1.2723 -1.2368 -1.1537 -1.0864 0.1112 0.1192 0.2582 0.2592 2.6264 2.6417 3.5470 3.5650 4.5993 4.6080 5.1118 5.1159 6.0173 6.0214 k = 0.3200-0.8836 0.8647 ( 8119 PWs) bands (ev): -21.8899 -21.8898 -21.8885 -21.8885 -21.8753 -21.8751 -21.8732 -21.8732 -18.9253 -18.9252 -18.9160 -18.9160 -18.9010 -18.9009 -18.8941 -18.8939 -18.8891 -18.8889 -18.8873 -18.8872 -10.9998 -10.9990 -10.1477 -10.1463 -7.9867 -7.9864 -7.0854 -7.0852 -2.8390 -2.8252 -1.7064 -1.6630 -1.2878 -1.2810 -1.1769 -1.1455 0.0177 0.0263 0.1945 0.1957 2.7372 2.7524 3.6444 3.6632 4.7046 4.7129 5.1459 5.1495 6.0443 6.0485 k = 0.3300-0.9113 0.8917 ( 8119 PWs) bands (ev): -21.8899 -21.8898 -21.8885 -21.8884 -21.8752 -21.8751 -21.8732 -21.8731 -18.9252 -18.9252 -18.9160 -18.9159 -18.9013 -18.9013 -18.8944 -18.8942 -18.8888 -18.8886 -18.8870 -18.8869 -10.9594 -10.9586 -10.1491 -10.1478 -7.9681 -7.9679 -7.1106 -7.1103 -2.8731 -2.8593 -1.7964 -1.7518 -1.3674 -1.3340 -1.1530 -1.1473 -0.0903 -0.0821 0.1505 0.1514 2.8476 2.8628 3.7388 3.7585 4.7899 4.7968 5.2044 5.2064 6.0720 6.0760 k = 0.3400-0.9389 0.9187 ( 8139 PWs) bands (ev): -21.8898 -21.8898 -21.8884 -21.8884 -21.8752 -21.8751 -21.8732 -21.8731 -18.9252 -18.9251 -18.9159 -18.9159 -18.9017 -18.9017 -18.8947 -18.8945 -18.8884 -18.8883 -18.8866 -18.8866 -10.9198 -10.9191 -10.1513 -10.1500 -7.9475 -7.9474 -7.1338 -7.1335 -2.9058 -2.8921 -1.8952 -1.8534 -1.4329 -1.3953 -1.1301 -1.1283 -0.1994 -0.1917 0.1150 0.1156 2.9559 2.9711 3.8288 3.8494 4.8547 4.8596 5.2864 5.2865 6.1001 6.1038 k = 0.3500-0.9665 0.9457 ( 8153 PWs) bands (ev): -21.8898 -21.8898 -21.8883 -21.8883 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9159 -18.9158 -18.9021 -18.9020 -18.8949 -18.8948 -18.8881 -18.8880 -18.8863 -18.8862 -10.8812 -10.8805 -10.1542 -10.1530 -7.9253 -7.9252 -7.1550 -7.1547 -2.9369 -2.9233 -1.9994 -1.9625 -1.4854 -1.4501 -1.1134 -1.1087 -0.3023 -0.2952 0.0837 0.0841 3.0610 3.0763 3.9127 3.9340 4.9059 4.9088 5.3816 5.3836 6.1284 6.1315 k = 0.3600-0.9941 0.9727 ( 8159 PWs) bands (ev): -21.8898 -21.8897 -21.8883 -21.8882 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9158 -18.9158 -18.9025 -18.9024 -18.8952 -18.8951 -18.8878 -18.8876 -18.8860 -18.8859 -10.8438 -10.8431 -10.1577 -10.1565 -7.9017 -7.9017 -7.1742 -7.1740 -2.9665 -2.9531 -2.1058 -2.0739 -1.5287 -1.4975 -1.1038 -1.0975 -0.3939 -0.3876 0.0552 0.0555 3.1621 3.1774 3.9886 4.0105 4.9523 4.9538 5.4818 5.4852 6.1565 6.1587 k = 0.3700-1.0217 0.9998 ( 8155 PWs) bands (ev): -21.8898 -21.8897 -21.8882 -21.8882 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9158 -18.9157 -18.9028 -18.9028 -18.8955 -18.8953 -18.8874 -18.8873 -18.8857 -18.8856 -10.8078 -10.8071 -10.1615 -10.1604 -7.8773 -7.8773 -7.1915 -7.1912 -2.9943 -2.9812 -2.2115 -2.1843 -1.5655 -1.5385 -1.1057 -1.0981 -0.4699 -0.4646 0.0289 0.0291 3.2586 3.2740 4.0549 4.0771 5.0001 5.0008 5.5791 5.5834 6.1837 6.1845 k = 0.3800-1.0493 1.0268 ( 8147 PWs) bands (ev): -21.8897 -21.8897 -21.8882 -21.8881 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9157 -18.9157 -18.9032 -18.9031 -18.8957 -18.8956 -18.8871 -18.8870 -18.8854 -18.8854 -10.7734 -10.7727 -10.1657 -10.1646 -7.8524 -7.8523 -7.2069 -7.2066 -3.0204 -3.0076 -2.3144 -2.2911 -1.5975 -1.5743 -1.1223 -1.1138 -0.5267 -0.5225 0.0047 0.0048 3.3501 3.3655 4.1104 4.1326 5.0529 5.0531 5.6681 5.6726 6.2080 6.2089 k = 0.3900-1.0769 1.0538 ( 8143 PWs) bands (ev): -21.8897 -21.8897 -21.8881 -21.8881 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9157 -18.9156 -18.9035 -18.9034 -18.8959 -18.8958 -18.8869 -18.8868 -18.8852 -18.8851 -10.7408 -10.7402 -10.1700 -10.1690 -7.8274 -7.8273 -7.2205 -7.2202 -3.0446 -3.0322 -2.4129 -2.3930 -1.6257 -1.6059 -1.1544 -1.1453 -0.5632 -0.5600 -0.0177 -0.0175 3.4364 3.4518 4.1550 4.1769 5.1115 5.1116 5.7451 5.7495 6.2280 6.2309 k = 0.4000-1.1046 1.0808 ( 8147 PWs) bands (ev): -21.8897 -21.8896 -21.8881 -21.8880 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9157 -18.9156 -18.9038 -18.9038 -18.8961 -18.8960 -18.8866 -18.8865 -18.8849 -18.8849 -10.7103 -10.7096 -10.1743 -10.1735 -7.8027 -7.8025 -7.2323 -7.2320 -3.0669 -3.0551 -2.5057 -2.4888 -1.6506 -1.6338 -1.1994 -1.1900 -0.5817 -0.5793 -0.0382 -0.0380 3.5173 3.5327 4.1891 4.2105 5.1752 5.1754 5.8083 5.8123 6.2437 6.2486 k = 0.4100-1.1322 1.1079 ( 8151 PWs) bands (ev): -21.8897 -21.8896 -21.8880 -21.8880 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9156 -18.9156 -18.9041 -18.9040 -18.8963 -18.8962 -18.8863 -18.8863 -18.8847 -18.8847 -10.6819 -10.6814 -10.1786 -10.1778 -7.7787 -7.7785 -7.2424 -7.2422 -3.0872 -3.0760 -2.5920 -2.5776 -1.6728 -1.6585 -1.2523 -1.2431 -0.5869 -0.5849 -0.0569 -0.0567 3.5925 3.6078 4.2141 4.2347 5.2424 5.2428 5.8570 5.8606 6.2549 6.2618 k = 0.4200-1.1598 1.1349 ( 8157 PWs) bands (ev): -21.8896 -21.8896 -21.8880 -21.8880 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9156 -18.9155 -18.9044 -18.9043 -18.8965 -18.8964 -18.8861 -18.8861 -18.8845 -18.8845 -10.6560 -10.6555 -10.1828 -10.1821 -7.7558 -7.7557 -7.2510 -7.2508 -3.1054 -3.0950 -2.6710 -2.6588 -1.6922 -1.6802 -1.3084 -1.2997 -0.5833 -0.5817 -0.0736 -0.0734 3.6620 3.6771 4.2314 4.2512 5.3110 5.3116 5.8917 5.8950 6.2622 6.2708 k = 0.4300-1.1874 1.1619 ( 8142 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9155 -18.9155 -18.9046 -18.9045 -18.8966 -18.8966 -18.8859 -18.8859 -18.8843 -18.8843 -10.6327 -10.6322 -10.1866 -10.1860 -7.7345 -7.7344 -7.2582 -7.2580 -3.1216 -3.1121 -2.7421 -2.7319 -1.7092 -1.6992 -1.3635 -1.3555 -0.5749 -0.5735 -0.0884 -0.0882 3.7254 3.7401 4.2425 4.2612 5.3789 5.3795 5.9134 5.9166 6.2667 6.2768 k = 0.4400-1.2150 1.1889 ( 8154 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9155 -18.9155 -18.9048 -18.9048 -18.8968 -18.8967 -18.8857 -18.8857 -18.8842 -18.8842 -10.6121 -10.6117 -10.1901 -10.1896 -7.7152 -7.7150 -7.2641 -7.2640 -3.1355 -3.1271 -2.8047 -2.7962 -1.7237 -1.7156 -1.4149 -1.4078 -0.5642 -0.5631 -0.1013 -0.1011 3.7826 3.7967 4.2487 4.2663 5.4443 5.4449 5.9236 5.9268 6.2697 6.2812 k = 0.4500-1.2426 1.2159 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8732 -18.9251 -18.9251 -18.9155 -18.9155 -18.9050 -18.9049 -18.8969 -18.8968 -18.8856 -18.8855 -18.8840 -18.8840 -10.5945 -10.5941 -10.1932 -10.1928 -7.6982 -7.6980 -7.2689 -7.2687 -3.1473 -3.1400 -2.8583 -2.8514 -1.7359 -1.7294 -1.4606 -1.4545 -0.5531 -0.5521 -0.1123 -0.1121 3.8331 3.8463 4.2514 4.2675 5.5058 5.5061 5.9239 5.9273 6.2722 6.2850 k = 0.4600-1.2702 1.2430 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9155 -18.9154 -18.9051 -18.9051 -18.8970 -18.8969 -18.8855 -18.8854 -18.8839 -18.8839 -10.5798 -10.5795 -10.1959 -10.1955 -7.6837 -7.6836 -7.2726 -7.2724 -3.1568 -3.1508 -2.9026 -2.8973 -1.7458 -1.7407 -1.4992 -1.4943 -0.5427 -0.5419 -0.1212 -0.1211 3.8765 3.8884 4.2517 4.2658 5.5618 5.5620 5.9166 5.9201 6.2750 6.2889 k = 0.4700-1.2979 1.2700 ( 8146 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9052 -18.9052 -18.8970 -18.8970 -18.8853 -18.8853 -18.8839 -18.8838 -10.5683 -10.5681 -10.1979 -10.1977 -7.6722 -7.6721 -7.2753 -7.2752 -3.1641 -3.1595 -2.9373 -2.9333 -1.7533 -1.7496 -1.5300 -1.5262 -0.5339 -0.5333 -0.1282 -0.1281 3.9122 3.9222 4.2506 4.2623 5.6108 5.6114 5.9040 5.9075 6.2784 6.2934 k = 0.4800-1.3255 1.2970 ( 8144 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5600 -10.5599 -10.1994 -10.1993 -7.6638 -7.6637 -7.2772 -7.2771 -3.1690 -3.1659 -2.9621 -2.9595 -1.7585 -1.7561 -1.5522 -1.5497 -0.5273 -0.5268 -0.1332 -0.1331 3.9394 3.9467 4.2494 4.2578 5.6511 5.6519 5.8892 5.8922 6.2827 6.2986 k = 0.4900-1.3531 1.3240 ( 8140 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5550 -10.5549 -10.2003 -10.2002 -7.6587 -7.6586 -7.2783 -7.2782 -3.1717 -3.1701 -2.9767 -2.9754 -1.7614 -1.7602 -1.5654 -1.5641 -0.5231 -0.5229 -0.1362 -0.1362 3.9572 3.9611 4.2491 4.2536 5.6792 5.6799 5.8766 5.8784 6.2879 6.3006 k = 0.5000-1.3807 1.3510 ( 8128 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9646 3.9646 4.2505 4.2505 5.6900 5.6900 5.8720 5.8720 6.2939 6.2939 k = 0.5000-1.3807 1.3510 ( 8128 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9646 3.9646 4.2505 4.2505 5.6900 5.6900 5.8720 5.8720 6.2939 6.2939 k = 0.5385-1.3736 1.3441 ( 8112 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9644 3.9645 4.2505 4.2506 5.6900 5.6900 5.8721 5.8722 6.2921 6.2955 k = 0.5769-1.3665 1.3371 ( 8136 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9642 3.9643 4.2507 4.2508 5.6900 5.6901 5.8725 5.8726 6.2904 6.2970 k = 0.6154-1.3594 1.3302 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9638 3.9639 4.2509 4.2511 5.6900 5.6901 5.8732 5.8733 6.2888 6.2980 k = 0.6538-1.3522 1.3232 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5215 -0.1373 -0.1373 3.9632 3.9634 4.2513 4.2516 5.6901 5.6902 5.8741 5.8743 6.2873 6.2980 k = 0.6923-1.3451 1.3162 ( 8166 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5215 -0.5215 -0.1373 -0.1373 3.9626 3.9628 4.2517 4.2520 5.6902 5.6903 5.8752 5.8753 6.2858 6.2967 k = 0.7308-1.3380 1.3093 ( 8180 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5215 -0.5215 -0.1373 -0.1373 3.9619 3.9621 4.2522 4.2526 5.6903 5.6904 5.8763 5.8765 6.2845 6.2947 k = 0.7692-1.3309 1.3023 ( 8180 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5215 -0.5215 -0.1373 -0.1373 3.9612 3.9614 4.2528 4.2531 5.6904 5.6906 5.8775 5.8777 6.2833 6.2924 k = 0.8077-1.3238 1.2953 ( 8178 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5215 -0.5215 -0.1374 -0.1374 3.9605 3.9607 4.2533 4.2536 5.6905 5.6907 5.8787 5.8788 6.2824 6.2901 k = 0.8462-1.3167 1.2884 ( 8174 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9599 3.9601 4.2538 4.2540 5.6906 5.6908 5.8797 5.8799 6.2817 6.2879 k = 0.8846-1.3095 1.2814 ( 8158 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9594 3.9596 4.2542 4.2544 5.6907 5.6909 5.8806 5.8807 6.2813 6.2860 k = 0.9231-1.3024 1.2745 ( 8154 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9591 3.9592 4.2545 4.2547 5.6908 5.6909 5.8813 5.8814 6.2812 6.2843 k = 0.9615-1.2953 1.2675 ( 8156 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9588 3.9589 4.2547 4.2548 5.6909 5.6909 5.8817 5.8818 6.2814 6.2830 k = 1.0000-1.2882 1.2605 ( 8164 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9588 3.9588 4.2548 4.2548 5.6909 5.6909 5.8819 5.8819 6.2820 6.2820 k = 1.0000-1.2882 1.2605 ( 8164 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9588 3.9588 4.2548 4.2548 5.6909 5.6909 5.8819 5.8819 6.2820 6.2820 k = 0.9900-1.2606 1.2335 ( 8160 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8837 -10.5550 -10.5549 -10.2003 -10.2002 -7.6587 -7.6586 -7.2783 -7.2782 -3.1717 -3.1701 -2.9767 -2.9754 -1.7614 -1.7602 -1.5654 -1.5642 -0.5229 -0.5227 -0.1365 -0.1364 3.9514 3.9552 4.2535 4.2578 5.6806 5.6812 5.8862 5.8880 6.2798 6.2835 k = 0.9800-1.2330 1.2065 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5600 -10.5599 -10.1994 -10.1993 -7.6638 -7.6637 -7.2772 -7.2771 -3.1690 -3.1659 -2.9621 -2.9594 -1.7585 -1.7561 -1.5522 -1.5497 -0.5270 -0.5266 -0.1335 -0.1334 3.9337 3.9408 4.2537 4.2619 5.6532 5.6539 5.8983 5.9012 6.2775 6.2840 k = 0.9700-1.2054 1.1795 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9052 -18.9052 -18.8970 -18.8970 -18.8853 -18.8853 -18.8839 -18.8838 -10.5683 -10.5681 -10.1979 -10.1977 -7.6722 -7.6721 -7.2753 -7.2752 -3.1641 -3.1595 -2.9373 -2.9333 -1.7532 -1.7496 -1.5300 -1.5263 -0.5337 -0.5331 -0.1285 -0.1283 3.9064 3.9161 4.2547 4.2661 5.6137 5.6141 5.9125 5.9160 6.2757 6.2837 k = 0.9600-1.1777 1.1524 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8750 -21.8732 -21.8732 -18.9251 -18.9251 -18.9155 -18.9154 -18.9051 -18.9051 -18.8970 -18.8969 -18.8854 -18.8854 -18.8839 -18.8839 -10.5798 -10.5795 -10.1959 -10.1955 -7.6837 -7.6836 -7.2725 -7.2724 -3.1568 -3.1508 -2.9026 -2.8972 -1.7457 -1.7407 -1.4993 -1.4943 -0.5425 -0.5417 -0.1215 -0.1213 3.8705 3.8822 4.2555 4.2694 5.5655 5.5655 5.9244 5.9281 6.2746 6.2833 k = 0.9500-1.1501 1.1254 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8732 -18.9251 -18.9251 -18.9155 -18.9154 -18.9050 -18.9049 -18.8969 -18.8968 -18.8856 -18.8855 -18.8840 -18.8840 -10.5945 -10.5941 -10.1932 -10.1928 -7.6982 -7.6980 -7.2689 -7.2687 -3.1473 -3.1400 -2.8583 -2.8514 -1.7359 -1.7294 -1.4606 -1.4545 -0.5529 -0.5519 -0.1125 -0.1123 3.8269 3.8399 4.2549 4.2708 5.5102 5.5106 5.9309 5.9345 6.2743 6.2830 k = 0.9400-1.1225 1.0984 ( 8128 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9155 -18.9155 -18.9048 -18.9048 -18.8968 -18.8967 -18.8857 -18.8857 -18.8842 -18.8841 -10.6121 -10.6117 -10.1901 -10.1896 -7.7152 -7.7150 -7.2641 -7.2640 -3.1355 -3.1271 -2.8047 -2.7962 -1.7237 -1.7156 -1.4149 -1.4078 -0.5640 -0.5628 -0.1015 -0.1013 3.7761 3.7900 4.2519 4.2693 5.4497 5.4503 5.9295 5.9330 6.2744 6.2827 k = 0.9300-1.0949 1.0714 ( 8140 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9155 -18.9155 -18.9046 -18.9045 -18.8966 -18.8966 -18.8859 -18.8859 -18.8843 -18.8843 -10.6327 -10.6322 -10.1866 -10.1860 -7.7346 -7.7344 -7.2582 -7.2580 -3.1216 -3.1121 -2.7421 -2.7318 -1.7092 -1.6992 -1.3635 -1.3555 -0.5747 -0.5733 -0.0886 -0.0884 3.7187 3.7331 4.2452 4.2638 5.3852 5.3859 5.9180 5.9215 6.2741 6.2818 k = 0.9200-1.0673 1.0444 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8880 -21.8880 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9156 -18.9155 -18.9044 -18.9043 -18.8965 -18.8964 -18.8861 -18.8861 -18.8845 -18.8845 -10.6560 -10.6555 -10.1828 -10.1821 -7.7558 -7.7557 -7.2510 -7.2508 -3.1054 -3.0950 -2.6710 -2.6588 -1.6922 -1.6802 -1.3083 -1.2996 -0.5831 -0.5815 -0.0738 -0.0736 3.6549 3.6697 4.2336 4.2532 5.3184 5.3190 5.8947 5.8984 6.2723 6.2790 k = 0.9100-1.0397 1.0173 ( 8152 PWs) bands (ev): -21.8897 -21.8896 -21.8880 -21.8880 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9156 -18.9156 -18.9041 -18.9040 -18.8963 -18.8962 -18.8863 -18.8863 -18.8847 -18.8847 -10.6819 -10.6814 -10.1786 -10.1779 -7.7787 -7.7785 -7.2424 -7.2422 -3.0872 -3.0760 -2.5920 -2.5776 -1.6727 -1.6585 -1.2523 -1.2431 -0.5866 -0.5847 -0.0571 -0.0569 3.5852 3.6002 4.2157 4.2362 5.2510 5.2514 5.8582 5.8623 6.2673 6.2726 k = 0.9000-1.0121 0.9903 ( 8144 PWs) bands (ev): -21.8897 -21.8896 -21.8881 -21.8880 -21.8751 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9157 -18.9156 -18.9038 -18.9038 -18.8961 -18.8960 -18.8866 -18.8865 -18.8849 -18.8849 -10.7103 -10.7096 -10.1743 -10.1735 -7.8027 -7.8025 -7.2323 -7.2320 -3.0669 -3.0551 -2.5057 -2.4888 -1.6506 -1.6338 -1.1993 -1.1899 -0.5815 -0.5791 -0.0384 -0.0383 3.5097 3.5248 4.1900 4.2112 5.1850 5.1852 5.8075 5.8121 6.2573 6.2608 k = 0.8900-0.9844 0.9633 ( 8132 PWs) bands (ev): -21.8897 -21.8897 -21.8881 -21.8881 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9157 -18.9156 -18.9035 -18.9034 -18.8959 -18.8958 -18.8869 -18.8868 -18.8852 -18.8851 -10.7408 -10.7402 -10.1700 -10.1690 -7.8274 -7.8273 -7.2205 -7.2202 -3.0446 -3.0322 -2.4128 -2.3930 -1.6257 -1.6059 -1.1543 -1.1451 -0.5630 -0.5598 -0.0179 -0.0178 3.4286 3.4438 4.1550 4.1767 5.1225 5.1226 5.7425 5.7475 6.2415 6.2429 k = 0.8800-0.9568 0.9363 ( 8136 PWs) bands (ev): -21.8897 -21.8897 -21.8882 -21.8881 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9250 -18.9157 -18.9157 -18.9032 -18.9031 -18.8957 -18.8956 -18.8871 -18.8870 -18.8854 -18.8854 -10.7734 -10.7727 -10.1657 -10.1646 -7.8524 -7.8523 -7.2069 -7.2066 -3.0204 -3.0076 -2.3144 -2.2911 -1.5975 -1.5743 -1.1222 -1.1136 -0.5266 -0.5224 0.0044 0.0046 3.3422 3.3575 4.1095 4.1315 5.0650 5.0652 5.6639 5.6689 6.2195 6.2203 k = 0.8700-0.9292 0.9093 ( 8134 PWs) bands (ev): -21.8898 -21.8897 -21.8882 -21.8882 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9158 -18.9157 -18.9028 -18.9028 -18.8955 -18.8953 -18.8874 -18.8873 -18.8857 -18.8856 -10.8078 -10.8071 -10.1615 -10.1604 -7.8773 -7.8773 -7.1915 -7.1912 -2.9944 -2.9812 -2.2115 -2.1842 -1.5655 -1.5385 -1.1055 -1.0979 -0.4698 -0.4645 0.0287 0.0289 3.2507 3.2659 4.0530 4.0749 5.0132 5.0138 5.5738 5.5784 6.1922 6.1948 k = 0.8600-0.9016 0.8822 ( 8148 PWs) bands (ev): -21.8898 -21.8897 -21.8883 -21.8882 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9158 -18.9158 -18.9025 -18.9024 -18.8952 -18.8951 -18.8878 -18.8876 -18.8860 -18.8859 -10.8438 -10.8431 -10.1577 -10.1565 -7.9017 -7.9017 -7.1742 -7.1739 -2.9665 -2.9531 -2.1058 -2.0739 -1.5287 -1.4975 -1.1036 -1.0972 -0.3939 -0.3876 0.0550 0.0553 3.1544 3.1696 3.9857 4.0073 4.9658 4.9674 5.4759 5.4796 6.1627 6.1667 k = 0.8500-0.8740 0.8552 ( 8150 PWs) bands (ev): -21.8898 -21.8898 -21.8883 -21.8883 -21.8752 -21.8750 -21.8732 -21.8731 -18.9251 -18.9251 -18.9159 -18.9158 -18.9021 -18.9020 -18.8949 -18.8948 -18.8881 -18.8880 -18.8863 -18.8862 -10.8812 -10.8805 -10.1542 -10.1530 -7.9253 -7.9252 -7.1550 -7.1547 -2.9369 -2.9234 -1.9994 -1.9625 -1.4854 -1.4501 -1.1131 -1.1084 -0.3022 -0.2951 0.0835 0.0839 3.0536 3.0687 3.9087 3.9299 4.9190 4.9221 5.3763 5.3785 6.1322 6.1371 k = 0.8400-0.8464 0.8282 ( 8142 PWs) bands (ev): -21.8898 -21.8898 -21.8884 -21.8884 -21.8752 -21.8751 -21.8732 -21.8731 -18.9252 -18.9251 -18.9159 -18.9159 -18.9017 -18.9017 -18.8947 -18.8945 -18.8884 -18.8883 -18.8866 -18.8866 -10.9198 -10.9191 -10.1513 -10.1500 -7.9475 -7.9474 -7.1338 -7.1335 -2.9058 -2.8921 -1.8951 -1.8534 -1.4328 -1.3952 -1.1298 -1.1280 -0.1994 -0.1916 0.1148 0.1154 2.9488 2.9638 3.8239 3.8443 4.8657 4.8709 5.2838 5.2838 6.1015 6.1070 k = 0.8300-0.8188 0.8012 ( 8154 PWs) bands (ev): -21.8899 -21.8898 -21.8885 -21.8884 -21.8752 -21.8751 -21.8732 -21.8731 -18.9252 -18.9252 -18.9160 -18.9159 -18.9013 -18.9013 -18.8944 -18.8942 -18.8888 -18.8886 -18.8870 -18.8869 -10.9594 -10.9586 -10.1491 -10.1478 -7.9681 -7.9679 -7.1106 -7.1103 -2.8731 -2.8594 -1.7964 -1.7518 -1.3673 -1.3339 -1.1526 -1.1469 -0.0903 -0.0821 0.1503 0.1512 2.8408 2.8559 3.7330 3.7526 4.7967 4.8039 5.2068 5.2089 6.0712 6.0769 k = 0.8200-0.7911 0.7742 ( 8162 PWs) bands (ev): -21.8899 -21.8898 -21.8885 -21.8885 -21.8753 -21.8751 -21.8732 -21.8732 -18.9253 -18.9252 -18.9160 -18.9160 -18.9010 -18.9009 -18.8941 -18.8939 -18.8891 -18.8889 -18.8873 -18.8872 -10.9998 -10.9990 -10.1477 -10.1463 -7.9867 -7.9864 -7.0854 -7.0852 -2.8390 -2.8253 -1.7064 -1.6629 -1.2877 -1.2808 -1.1765 -1.1453 0.0177 0.0262 0.1943 0.1956 2.7309 2.7459 3.6379 3.6566 4.7059 4.7144 5.1551 5.1587 6.0415 6.0472 k = 0.8100-0.7635 0.7471 ( 8164 PWs) bands (ev): -21.8899 -21.8899 -21.8886 -21.8886 -21.8753 -21.8751 -21.8733 -21.8732 -18.9253 -18.9253 -18.9161 -18.9160 -18.9006 -18.9005 -18.8939 -18.8936 -18.8895 -18.8893 -18.8877 -18.8876 -11.0407 -11.0399 -10.1472 -10.1457 -8.0030 -8.0027 -7.0583 -7.0581 -2.8036 -2.7899 -1.6268 -1.5898 -1.2719 -1.2364 -1.1536 -1.0863 0.1111 0.1191 0.2581 0.2591 2.6204 2.6357 3.5400 3.5578 4.5957 4.6044 5.1276 5.1318 6.0126 6.0181 k = 0.8000-0.7359 0.7201 ( 8170 PWs) bands (ev): -21.8900 -21.8899 -21.8887 -21.8886 -21.8753 -21.8751 -21.8733 -21.8732 -18.9254 -18.9253 -18.9162 -18.9161 -18.9002 -18.9001 -18.8936 -18.8934 -18.8898 -18.8896 -18.8880 -18.8880 -11.0820 -11.0812 -10.1477 -10.1462 -8.0168 -8.0164 -7.0292 -7.0290 -2.7670 -2.7534 -1.5574 -1.5318 -1.2949 -1.2556 -1.0419 -0.9820 0.1779 0.1840 0.3509 0.3512 2.5118 2.5273 3.4403 3.4572 4.4731 4.4816 5.1179 5.1220 5.9846 5.9898 k = 0.7900-0.7083 0.6931 ( 8162 PWs) bands (ev): -21.8900 -21.8899 -21.8887 -21.8887 -21.8753 -21.8752 -21.8733 -21.8732 -18.9254 -18.9254 -18.9162 -18.9162 -18.8998 -18.8997 -18.8934 -18.8931 -18.8901 -18.8898 -18.8884 -18.8883 -11.1234 -11.1227 -10.1492 -10.1477 -8.0279 -8.0275 -6.9983 -6.9981 -2.7293 -2.7159 -1.4968 -1.4880 -1.3270 -1.2799 -0.9074 -0.8567 0.2260 0.2308 0.4593 0.4600 2.4082 2.4242 3.3396 3.3557 4.3447 4.3528 5.1198 5.1238 5.9576 5.9623 k = 0.7800-0.6807 0.6661 ( 8158 PWs) bands (ev): -21.8900 -21.8900 -21.8888 -21.8888 -21.8754 -21.8752 -21.8733 -21.8732 -18.9255 -18.9255 -18.9163 -18.9162 -18.8994 -18.8993 -18.8933 -18.8930 -18.8903 -18.8900 -18.8887 -18.8887 -11.1649 -11.1642 -10.1519 -10.1503 -8.0360 -8.0356 -6.9656 -6.9654 -2.6908 -2.6775 -1.4614 -1.4447 -1.3598 -1.2947 -0.7621 -0.7188 0.2666 0.2708 0.5683 0.5686 2.3139 2.3307 3.2384 3.2538 4.2153 4.2230 5.1294 5.1332 5.9317 5.9359 k = 0.7700-0.6531 0.6390 ( 8148 PWs) bands (ev): -21.8900 -21.8900 -21.8889 -21.8888 -21.8754 -21.8752 -21.8733 -21.8733 -18.9256 -18.9256 -18.9163 -18.9163 -18.8990 -18.8990 -18.8932 -18.8929 -18.8904 -18.8902 -18.8891 -18.8890 -11.2062 -11.2055 -10.1558 -10.1542 -8.0412 -8.0407 -6.9311 -6.9309 -2.6515 -2.6383 -1.4579 -1.4211 -1.3696 -1.2903 -0.6099 -0.5727 0.3041 0.3081 0.6664 0.6672 2.2351 2.2528 3.1370 3.1518 4.0884 4.0957 5.1443 5.1480 5.9071 5.9105 k = 0.7600-0.6255 0.6120 ( 8146 PWs) bands (ev): -21.8901 -21.8900 -21.8890 -21.8889 -21.8754 -21.8752 -21.8734 -21.8733 -18.9257 -18.9257 -18.9164 -18.9163 -18.8986 -18.8986 -18.8932 -18.8930 -18.8905 -18.8903 -18.8893 -18.8893 -11.2472 -11.2465 -10.1608 -10.1592 -8.0432 -8.0427 -6.8950 -6.8949 -2.6117 -2.5987 -1.4746 -1.4487 -1.3313 -1.2677 -0.4534 -0.4211 0.3400 0.3439 0.7443 0.7466 2.1794 2.1982 3.0359 3.0502 3.9665 3.9734 5.1628 5.1666 5.8837 5.8864 k = 0.7500-0.5979 0.5850 ( 8140 PWs) bands (ev): -21.8901 -21.8900 -21.8890 -21.8890 -21.8755 -21.8753 -21.8734 -21.8733 -18.9258 -18.9258 -18.9164 -18.9164 -18.8983 -18.8982 -18.8933 -18.8932 -18.8906 -18.8905 -18.8895 -18.8895 -11.2877 -11.2870 -10.1669 -10.1653 -8.0421 -8.0416 -6.8575 -6.8573 -2.5715 -2.5587 -1.5019 -1.4849 -1.2862 -1.2352 -0.2944 -0.2662 0.3743 0.3784 0.7938 0.7976 2.1548 2.1746 2.9361 2.9499 3.8516 3.8583 5.1840 5.1878 5.8617 5.8636 k = 0.7400-0.5702 0.5580 ( 8126 PWs) bands (ev): -21.8901 -21.8901 -21.8891 -21.8891 -21.8755 -21.8753 -21.8734 -21.8733 -18.9259 -18.9259 -18.9165 -18.9165 -18.8979 -18.8979 -18.8935 -18.8934 -18.8907 -18.8907 -18.8896 -18.8894 -11.3276 -11.3269 -10.1742 -10.1726 -8.0380 -8.0374 -6.8185 -6.8184 -2.5312 -2.5186 -1.5334 -1.5216 -1.2412 -1.1987 -0.1347 -0.1098 0.4066 0.4108 0.8097 0.8144 2.1659 2.1861 2.8396 2.8530 3.7454 3.7518 5.2069 5.2109 5.8413 5.8422 k = 0.7300-0.5426 0.5310 ( 8126 PWs) bands (ev): -21.8902 -21.8901 -21.8892 -21.8891 -21.8756 -21.8754 -21.8735 -21.8734 -18.9260 -18.9260 -18.9166 -18.9165 -18.8976 -18.8976 -18.8938 -18.8937 -18.8910 -18.8910 -18.8894 -18.8893 -11.3667 -11.3660 -10.1825 -10.1809 -8.0308 -8.0303 -6.7783 -6.7782 -2.4910 -2.4786 -1.5662 -1.5576 -1.1970 -1.1604 0.0241 0.0462 0.4353 0.4398 0.7931 0.7982 2.2095 2.2291 2.7511 2.7637 3.6491 3.6554 5.2310 5.2353 5.8225 5.8227 k = 0.7200-0.5150 0.5039 ( 8118 PWs) bands (ev): -21.8902 -21.8901 -21.8893 -21.8892 -21.8756 -21.8754 -21.8735 -21.8734 -18.9261 -18.9261 -18.9166 -18.9166 -18.8973 -18.8972 -18.8940 -18.8940 -18.8914 -18.8913 -18.8892 -18.8891 -11.4049 -11.4042 -10.1918 -10.1902 -8.0207 -8.0202 -6.7371 -6.7370 -2.4513 -2.4391 -1.5987 -1.5923 -1.1536 -1.1215 0.1797 0.1995 0.4568 0.4617 0.7530 0.7578 2.2702 2.2871 2.6826 2.6928 3.5639 3.5703 5.2558 5.2605 5.8044 5.8058 k = 0.7100-0.4874 0.4769 ( 8126 PWs) bands (ev): -21.8902 -21.8902 -21.8893 -21.8893 -21.8757 -21.8755 -21.8735 -21.8735 -18.9262 -18.9262 -18.9167 -18.9167 -18.8971 -18.8970 -18.8944 -18.8943 -18.8917 -18.8917 -18.8889 -18.8888 -11.4421 -11.4415 -10.2019 -10.2004 -8.0080 -8.0074 -6.6949 -6.6948 -2.4124 -2.4004 -1.6301 -1.6253 -1.1111 -1.0825 0.3288 0.3475 0.4629 0.4683 0.7064 0.7096 2.3148 2.3239 2.6638 2.6671 3.4911 3.4976 5.2809 5.2860 5.7883 5.7909 k = 0.7000-0.4598 0.4499 ( 8124 PWs) bands (ev): -21.8902 -21.8902 -21.8894 -21.8894 -21.8757 -21.8755 -21.8736 -21.8735 -18.9264 -18.9264 -18.9167 -18.9167 -18.8969 -18.8967 -18.8947 -18.8946 -18.8921 -18.8920 -18.8885 -18.8885 -11.4782 -11.4776 -10.2127 -10.2113 -7.9926 -7.9921 -6.6520 -6.6520 -2.3747 -2.3629 -1.6597 -1.6562 -1.0695 -1.0438 0.4270 0.4336 0.4848 0.4916 0.6766 0.6766 2.3068 2.3076 2.7161 2.7217 3.4322 3.4390 5.3059 5.3117 5.7741 5.7782 k = 0.6900-0.4322 0.4229 ( 8122 PWs) bands (ev): -21.8903 -21.8902 -21.8895 -21.8894 -21.8758 -21.8756 -21.8736 -21.8735 -18.9265 -18.9265 -18.9168 -18.9168 -18.8967 -18.8965 -18.8950 -18.8948 -18.8924 -18.8924 -18.8882 -18.8882 -11.5130 -11.5125 -10.2242 -10.2227 -7.9750 -7.9745 -6.6086 -6.6085 -2.3386 -2.3271 -1.6871 -1.6845 -1.0289 -1.0057 0.3694 0.3716 0.6047 0.6187 0.6708 0.6768 2.2562 2.2628 2.8207 2.8310 3.3899 3.3972 5.3307 5.3372 5.7621 5.7678 k = 0.6800-0.4046 0.3959 ( 8114 PWs) bands (ev): -21.8903 -21.8903 -21.8895 -21.8895 -21.8758 -21.8756 -21.8737 -21.8736 -18.9267 -18.9266 -18.9169 -18.9168 -18.8967 -18.8964 -18.8951 -18.8949 -18.8927 -18.8927 -18.8879 -18.8879 -11.5466 -11.5460 -10.2360 -10.2346 -7.9554 -7.9549 -6.5648 -6.5648 -2.3047 -2.2935 -1.7115 -1.7098 -0.9896 -0.9685 0.2813 0.2838 0.6752 0.6794 0.7337 0.7344 2.2012 2.2106 2.9450 2.9572 3.3697 3.3777 5.3550 5.3623 5.7524 5.7599 k = 0.6700-0.3769 0.3688 ( 8110 PWs) bands (ev): -21.8903 -21.8903 -21.8896 -21.8895 -21.8759 -21.8757 -21.8737 -21.8736 -18.9268 -18.9268 -18.9169 -18.9169 -18.8967 -18.8964 -18.8952 -18.8950 -18.8931 -18.8930 -18.8876 -18.8876 -11.5788 -11.5782 -10.2482 -10.2469 -7.9340 -7.9336 -6.5210 -6.5210 -2.2737 -2.2628 -1.7326 -1.7316 -0.9516 -0.9325 0.1822 0.1849 0.6954 0.6967 0.8255 0.8287 2.1554 2.1665 3.0634 3.0755 3.3844 3.3923 5.3788 5.3869 5.7452 5.7546 k = 0.6600-0.3493 0.3418 ( 8106 PWs) bands (ev): -21.8903 -21.8903 -21.8897 -21.8896 -21.8759 -21.8757 -21.8737 -21.8737 -18.9269 -18.9269 -18.9170 -18.9170 -18.8969 -18.8966 -18.8951 -18.8950 -18.8934 -18.8933 -18.8873 -18.8872 -11.6095 -11.6090 -10.2605 -10.2593 -7.9112 -7.9108 -6.4774 -6.4774 -2.2461 -2.2355 -1.7497 -1.7492 -0.9151 -0.8978 0.0793 0.0820 0.7101 0.7134 0.8983 0.9012 2.1252 2.1371 3.1532 3.1624 3.4525 3.4582 5.4020 5.4110 5.7406 5.7520 k = 0.6500-0.3217 0.3148 ( 8110 PWs) bands (ev): -21.8904 -21.8903 -21.8897 -21.8897 -21.8760 -21.8758 -21.8738 -21.8737 -18.9271 -18.9270 -18.9170 -18.9170 -18.8971 -18.8969 -18.8950 -18.8950 -18.8937 -18.8935 -18.8870 -18.8869 -11.6386 -11.6381 -10.2729 -10.2717 -7.8873 -7.8869 -6.4342 -6.4342 -2.2226 -2.2124 -1.7624 -1.7624 -0.8805 -0.8647 -0.0238 -0.0211 0.7197 0.7244 0.9492 0.9516 2.1122 2.1242 3.2143 3.2195 3.5702 3.5730 5.4247 5.4345 5.7387 5.7522 k = 0.6400-0.2941 0.2878 ( 8118 PWs) bands (ev): -21.8904 -21.8904 -21.8898 -21.8897 -21.8760 -21.8759 -21.8738 -21.8738 -18.9272 -18.9272 -18.9171 -18.9171 -18.8973 -18.8971 -18.8950 -18.8948 -18.8940 -18.8937 -18.8867 -18.8867 -11.6661 -11.6657 -10.2851 -10.2840 -7.8626 -7.8622 -6.3918 -6.3917 -2.2037 -2.1941 -1.7706 -1.7704 -0.8478 -0.8335 -0.1248 -0.1223 0.7207 0.7265 0.9815 0.9840 2.1138 2.1253 3.2688 3.2715 3.7116 3.7130 5.4473 5.4577 5.7398 5.7554 k = 0.6300-0.2665 0.2608 ( 8122 PWs) bands (ev): -21.8904 -21.8904 -21.8898 -21.8898 -21.8760 -21.8759 -21.8739 -21.8738 -18.9274 -18.9273 -18.9171 -18.9171 -18.8976 -18.8974 -18.8951 -18.8948 -18.8942 -18.8937 -18.8864 -18.8864 -11.6920 -11.6916 -10.2970 -10.2960 -7.8374 -7.8371 -6.3503 -6.3502 -2.1896 -2.1807 -1.7738 -1.7735 -0.8172 -0.8043 -0.2224 -0.2200 0.7106 0.7172 1.0022 1.0048 2.1246 2.1350 3.3319 3.3331 3.8597 3.8610 5.4699 5.4807 5.7438 5.7615 k = 0.6200-0.2389 0.2337 ( 8116 PWs) bands (ev): -21.8904 -21.8904 -21.8899 -21.8898 -21.8761 -21.8760 -21.8739 -21.8739 -18.9275 -18.9274 -18.9172 -18.9172 -18.8978 -18.8977 -18.8952 -18.8949 -18.8942 -18.8938 -18.8861 -18.8861 -11.7162 -11.7158 -10.3086 -10.3076 -7.8123 -7.8120 -6.3101 -6.3100 -2.1804 -2.1721 -1.7724 -1.7721 -0.7891 -0.7776 -0.3153 -0.3130 0.6888 0.6956 1.0179 1.0206 2.1388 2.1479 3.4086 3.4092 4.0065 4.0083 5.4932 5.5039 5.7510 5.7706 k = 0.6100-0.2113 0.2067 ( 8100 PWs) bands (ev): -21.8904 -21.8904 -21.8899 -21.8899 -21.8761 -21.8760 -21.8739 -21.8739 -18.9276 -18.9276 -18.9172 -18.9172 -18.8980 -18.8979 -18.8954 -18.8951 -18.8941 -18.8937 -18.8859 -18.8859 -11.7386 -11.7382 -10.3197 -10.3188 -7.7874 -7.7871 -6.2716 -6.2715 -2.1753 -2.1679 -1.7672 -1.7668 -0.7636 -0.7534 -0.4027 -0.4005 0.6568 0.6634 1.0329 1.0355 2.1521 2.1600 3.4990 3.4994 4.1477 4.1503 5.5175 5.5275 5.7613 5.7826 k = 0.6000-0.1836 0.1797 ( 8100 PWs) bands (ev): -21.8905 -21.8904 -21.8900 -21.8899 -21.8762 -21.8761 -21.8740 -21.8739 -18.9277 -18.9277 -18.9173 -18.9173 -18.8982 -18.8982 -18.8955 -18.8953 -18.8940 -18.8937 -18.8856 -18.8856 -11.7591 -11.7588 -10.3301 -10.3293 -7.7631 -7.7629 -6.2349 -6.2348 -2.1738 -2.1672 -1.7590 -1.7587 -0.7409 -0.7320 -0.4837 -0.4818 0.6176 0.6238 1.0484 1.0508 2.1624 2.1691 3.6004 3.6010 4.2799 4.2836 5.5435 5.5520 5.7747 5.7975 k = 0.5900-0.1560 0.1527 ( 8090 PWs) bands (ev): -21.8905 -21.8905 -21.8900 -21.8900 -21.8762 -21.8761 -21.8740 -21.8740 -18.9278 -18.9278 -18.9173 -18.9173 -18.8984 -18.8984 -18.8957 -18.8955 -18.8939 -18.8936 -18.8854 -18.8854 -11.7779 -11.7776 -10.3399 -10.3392 -7.7399 -7.7397 -6.2006 -6.2005 -2.1749 -2.1691 -1.7491 -1.7489 -0.7211 -0.7137 -0.5576 -0.5562 0.5750 0.5806 1.0645 1.0666 2.1691 2.1747 3.7089 3.7098 4.4008 4.4054 5.5715 5.5776 5.7913 5.8151 k = 0.5800-0.1284 0.1257 ( 8086 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8900 -21.8762 -21.8762 -21.8740 -21.8740 -18.9279 -18.9279 -18.9173 -18.9173 -18.8986 -18.8986 -18.8959 -18.8957 -18.8938 -18.8935 -18.8853 -18.8852 -11.7947 -11.7944 -10.3489 -10.3482 -7.7181 -7.7179 -6.1687 -6.1687 -2.1778 -2.1727 -1.7384 -1.7383 -0.7044 -0.6991 -0.6233 -0.6232 0.5318 0.5368 1.0805 1.0823 2.1726 2.1773 3.8202 3.8217 4.5084 4.5136 5.6017 5.6042 5.8109 5.8353 k = 0.5700-0.1008 0.0986 ( 8096 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8900 -21.8763 -21.8762 -21.8741 -21.8740 -18.9280 -18.9280 -18.9174 -18.9174 -18.8988 -18.8988 -18.8960 -18.8958 -18.8937 -18.8935 -18.8851 -18.8851 -11.8096 -11.8094 -10.3569 -10.3564 -7.6979 -7.6977 -6.1398 -6.1397 -2.1816 -2.1773 -1.7279 -1.7278 -0.6979 -0.6935 -0.6795 -0.6708 0.4905 0.4949 1.0958 1.0973 2.1737 2.1776 3.9301 3.9321 4.6012 4.6068 5.6316 5.6337 5.8336 5.8577 k = 0.5600-0.0732 0.0716 ( 8090 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8762 -21.8741 -21.8741 -18.9281 -18.9281 -18.9174 -18.9174 -18.8990 -18.8989 -18.8961 -18.8960 -18.8936 -18.8934 -18.8849 -18.8849 -11.8226 -11.8224 -10.3641 -10.3636 -7.6797 -7.6796 -6.1140 -6.1140 -2.1859 -2.1823 -1.7182 -1.7181 -0.7392 -0.7354 -0.6778 -0.6705 0.4528 0.4566 1.1100 1.1112 2.1731 2.1763 4.0345 4.0369 4.6788 4.6841 5.6587 5.6663 5.8589 5.8819 k = 0.5500-0.0456 0.0446 ( 8094 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9174 -18.9174 -18.8991 -18.8991 -18.8963 -18.8961 -18.8935 -18.8934 -18.8848 -18.8848 -11.8336 -11.8334 -10.3702 -10.3698 -7.6638 -7.6637 -6.0917 -6.0917 -2.1901 -2.1872 -1.7097 -1.7096 -0.7813 -0.7787 -0.6692 -0.6639 0.4199 0.4230 1.1225 1.1235 2.1715 2.1741 4.1298 4.1325 4.7411 4.7459 5.6844 5.6978 5.8861 5.9071 k = 0.5400-0.0180 0.0176 ( 8094 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9174 -18.9174 -18.8992 -18.8992 -18.8963 -18.8962 -18.8934 -18.8933 -18.8847 -18.8847 -11.8426 -11.8425 -10.3753 -10.3749 -7.6504 -7.6503 -6.0731 -6.0730 -2.1939 -2.1916 -1.7026 -1.7025 -0.8161 -0.8140 -0.6627 -0.6586 0.3925 0.3950 1.1331 1.1338 2.1695 2.1715 4.2128 4.2155 4.7891 4.7931 5.7074 5.7258 5.9140 5.9319 k = 0.5300 0.0097-0.0095 ( 8102 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8901 -21.8764 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8992 -18.8964 -18.8963 -18.8934 -18.8933 -18.8846 -18.8846 -11.8497 -11.8496 -10.3792 -10.3790 -7.6397 -7.6397 -6.0584 -6.0583 -2.1971 -2.1953 -1.6972 -1.6971 -0.8430 -0.8415 -0.6580 -0.6550 0.3710 0.3729 1.1416 1.1421 2.1677 2.1691 4.2807 4.2830 4.8241 4.8272 5.7270 5.7478 5.9162 5.9397 k = 0.5200 0.0373-0.0365 ( 8108 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8901 -21.8764 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8993 -18.8965 -18.8964 -18.8933 -18.8933 -18.8846 -18.8846 -11.8547 -11.8546 -10.3821 -10.3819 -7.6320 -7.6319 -6.0477 -6.0477 -2.1994 -2.1982 -1.6934 -1.6933 -0.8620 -0.8610 -0.6548 -0.6529 0.3557 0.3569 1.1477 1.1481 2.1662 2.1671 4.3311 4.3328 4.8478 4.8498 5.7428 5.7614 5.9052 5.9376 k = 0.5100 0.0649-0.0635 ( 8106 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8763 -21.8742 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8577 -11.8577 -10.3838 -10.3837 -7.6273 -7.6273 -6.0413 -6.0413 -2.2007 -2.2001 -1.6911 -1.6911 -0.8733 -0.8728 -0.6529 -0.6519 0.3466 0.3472 1.1515 1.1517 2.1653 2.1658 4.3623 4.3632 4.8615 4.8625 5.7549 5.7660 5.9037 5.9218 k = 0.5000 0.0925-0.0905 ( 8118 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8742 -21.8742 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2009 -2.2009 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1528 1.1528 2.1651 2.1651 4.3731 4.3731 4.8663 4.8663 5.7631 5.7631 5.9100 5.9100 k = 0.5000 0.0925-0.0905 ( 8118 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8742 -21.8742 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2009 -2.2009 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1528 1.1528 2.1651 2.1651 4.3731 4.3731 4.8663 4.8663 5.7631 5.7631 5.9100 5.9100 k = 0.4615 0.0854-0.0835 ( 8114 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8742 -21.8742 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2009 -2.2009 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1528 1.1528 2.1655 2.1655 4.3736 4.3737 4.8656 4.8658 5.7442 5.7443 5.9043 5.9043 k = 0.4231 0.0783-0.0766 ( 8106 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2009 -2.2009 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1529 1.1529 2.1665 2.1665 4.3750 4.3753 4.8638 4.8642 5.6969 5.6975 5.8975 5.8978 k = 0.3846 0.0712-0.0696 ( 8104 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2010 -2.2010 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1529 1.1529 2.1682 2.1682 4.3774 4.3778 4.8608 4.8614 5.6366 5.6380 5.8939 5.8943 k = 0.3462 0.0640-0.0627 ( 8104 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2010 -2.2010 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3438 1.1529 1.1529 2.1703 2.1704 4.3808 4.3813 4.8566 4.8574 5.5731 5.5753 5.8922 5.8925 k = 0.3077 0.0569-0.0557 ( 8100 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2011 -2.2011 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3438 1.1529 1.1529 2.1729 2.1730 4.3850 4.3856 4.8512 4.8522 5.5114 5.5141 5.8913 5.8915 k = 0.2692 0.0498-0.0487 ( 8106 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2011 -2.2011 -1.6905 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3438 1.1529 1.1529 2.1758 2.1758 4.3900 4.3906 4.8446 4.8457 5.4543 5.4572 5.8907 5.8910 k = 0.2308 0.0427-0.0418 ( 8114 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2012 -2.2012 -1.6905 -1.6905 -0.8768 -0.8768 -0.6519 -0.6519 0.3438 0.3438 1.1529 1.1529 2.1787 2.1788 4.3955 4.3961 4.8370 4.8381 5.4033 5.4063 5.8904 5.8906 k = 0.1923 0.0356-0.0348 ( 8118 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2013 -2.2013 -1.6905 -1.6905 -0.8768 -0.8768 -0.6519 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1816 2.1817 4.4013 4.4019 4.8287 4.8298 5.3596 5.3624 5.8902 5.8904 k = 0.1538 0.0285-0.0278 ( 8141 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2013 -2.2013 -1.6905 -1.6905 -0.8768 -0.8768 -0.6519 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1843 2.1843 4.4070 4.4076 4.8202 4.8211 5.3237 5.3262 5.8901 5.8902 k = 0.1154 0.0213-0.0209 ( 8151 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2014 -2.2014 -1.6905 -1.6905 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1865 2.1865 4.4122 4.4127 4.8122 4.8130 5.2960 5.2980 5.8900 5.8901 k = 0.0769 0.0142-0.0139 ( 8159 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8742 -21.8742 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2014 -2.2014 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1882 2.1882 4.4165 4.4169 4.8057 4.8062 5.2765 5.2779 5.8900 5.8901 k = 0.0385 0.0071-0.0070 ( 8161 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2014 -2.2014 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1893 2.1893 4.4194 4.4195 4.8014 4.8016 5.2650 5.2657 5.8900 5.8900 k = 0.0000 0.0000 0.0000 ( 8149 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2015 -2.2015 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1897 2.1897 4.4204 4.4204 4.7999 4.7999 5.2614 5.2614 5.8900 5.8900 k = 0.0000 0.0000 0.0000 ( 8149 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2015 -2.2015 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1897 2.1897 4.4204 4.4204 4.7999 4.7999 5.2614 5.2614 5.8900 5.8900 k = 0.0000 0.0277 0.0283 ( 8159 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8763 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8576 -11.8576 -10.3838 -10.3838 -7.6280 -7.6280 -6.0423 -6.0423 -2.1999 -2.1999 -1.6866 -1.6866 -0.8784 -0.8784 -0.6471 -0.6471 0.3433 0.3433 1.1512 1.1512 2.1906 2.1906 4.4180 4.4180 4.7985 4.7985 5.2608 5.2608 5.8946 5.8946 k = 0.0000 0.0555 0.0567 ( 8157 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8993 -18.8965 -18.8965 -18.8933 -18.8933 -18.8846 -18.8846 -11.8543 -11.8543 -10.3821 -10.3821 -7.6349 -7.6349 -6.0516 -6.0516 -2.1952 -2.1952 -1.6748 -1.6748 -0.8829 -0.8829 -0.6331 -0.6331 0.3418 0.3418 1.1462 1.1462 2.1933 2.1933 4.4106 4.4106 4.7943 4.7943 5.2590 5.2590 5.9071 5.9071 k = 0.0000 0.0832 0.0850 ( 8143 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9175 -18.9175 -18.8993 -18.8993 -18.8964 -18.8964 -18.8932 -18.8932 -18.8846 -18.8846 -11.8487 -11.8487 -10.3793 -10.3793 -7.6463 -7.6463 -6.0671 -6.0671 -2.1876 -2.1876 -1.6552 -1.6552 -0.8900 -0.8900 -0.6104 -0.6104 0.3399 0.3399 1.1378 1.1378 2.1977 2.1977 4.3979 4.3979 4.7869 4.7869 5.2565 5.2565 5.9130 5.9130 k = 0.0000 0.1109 0.1133 ( 8143 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9281 -18.9281 -18.9175 -18.9175 -18.8992 -18.8992 -18.8964 -18.8964 -18.8932 -18.8932 -18.8847 -18.8847 -11.8410 -11.8410 -10.3754 -10.3754 -7.6620 -7.6620 -6.0885 -6.0885 -2.1773 -2.1773 -1.6281 -1.6281 -0.8992 -0.8992 -0.5801 -0.5801 0.3381 0.3381 1.1261 1.1261 2.2038 2.2038 4.3795 4.3795 4.7762 4.7762 5.2539 5.2539 5.8395 5.8396 k = 0.0000 0.1386 0.1417 ( 8127 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9279 -18.9279 -18.9175 -18.9175 -18.8992 -18.8992 -18.8963 -18.8963 -18.8932 -18.8932 -18.8848 -18.8848 -11.8310 -11.8310 -10.3705 -10.3705 -7.6816 -7.6816 -6.1153 -6.1153 -2.1648 -2.1648 -1.5943 -1.5943 -0.9093 -0.9093 -0.5436 -0.5436 0.3373 0.3373 1.1114 1.1114 2.2114 2.2114 4.3546 4.3546 4.7615 4.7615 5.2520 5.2520 5.7332 5.7332 k = 0.0000 0.1664 0.1700 ( 8127 PWs) bands (ev): -21.8905 -21.8904 -21.8901 -21.8901 -21.8762 -21.8762 -21.8741 -21.8741 -18.9278 -18.9278 -18.9175 -18.9174 -18.8991 -18.8991 -18.8963 -18.8963 -18.8931 -18.8931 -18.8849 -18.8849 -11.8188 -11.8188 -10.3647 -10.3647 -7.7048 -7.7048 -6.1474 -6.1474 -2.1503 -2.1503 -1.5551 -1.5551 -0.9190 -0.9190 -0.5030 -0.5030 0.3390 0.3390 1.0938 1.0938 2.2203 2.2203 4.3219 4.3219 4.7426 4.7426 5.2510 5.2510 5.6172 5.6172 k = 0.0000 0.1941 0.1984 ( 8139 PWs) bands (ev): -21.8904 -21.8904 -21.8901 -21.8900 -21.8762 -21.8762 -21.8741 -21.8741 -18.9276 -18.9276 -18.9174 -18.9174 -18.8990 -18.8990 -18.8962 -18.8962 -18.8931 -18.8931 -18.8851 -18.8851 -11.8045 -11.8045 -10.3579 -10.3579 -7.7311 -7.7311 -6.1842 -6.1842 -2.1341 -2.1341 -1.5126 -1.5126 -0.9258 -0.9258 -0.4609 -0.4609 0.3450 0.3450 1.0737 1.0737 2.2301 2.2301 4.2800 4.2800 4.7188 4.7188 5.2512 5.2512 5.4980 5.4980 k = 0.0000 0.2218 0.2267 ( 8145 PWs) bands (ev): -21.8904 -21.8904 -21.8900 -21.8900 -21.8761 -21.8761 -21.8741 -21.8741 -18.9273 -18.9273 -18.9174 -18.9174 -18.8989 -18.8989 -18.8961 -18.8961 -18.8930 -18.8930 -18.8853 -18.8853 -11.7880 -11.7880 -10.3503 -10.3503 -7.7602 -7.7602 -6.2254 -6.2254 -2.1164 -2.1164 -1.4704 -1.4704 -0.9260 -0.9260 -0.4205 -0.4205 0.3575 0.3575 1.0512 1.0512 2.2406 2.2406 4.2270 4.2270 4.6895 4.6895 5.2519 5.2519 5.3813 5.3813 k = 0.0000 0.2496 0.2550 ( 8129 PWs) bands (ev): -21.8904 -21.8903 -21.8900 -21.8900 -21.8760 -21.8760 -21.8741 -21.8741 -18.9271 -18.9271 -18.9174 -18.9174 -18.8988 -18.8987 -18.8960 -18.8960 -18.8930 -18.8930 -18.8855 -18.8855 -11.7693 -11.7693 -10.3420 -10.3420 -7.7915 -7.7915 -6.2703 -6.2703 -2.0973 -2.0973 -1.4335 -1.4335 -0.9148 -0.9148 -0.3852 -0.3852 0.3788 0.3788 1.0272 1.0272 2.2511 2.2511 4.1613 4.1613 4.6540 4.6540 5.2421 5.2421 5.2823 5.2823 k = 0.0000 0.2773 0.2834 ( 8134 PWs) bands (ev): -21.8903 -21.8903 -21.8899 -21.8899 -21.8760 -21.8760 -21.8741 -21.8741 -18.9268 -18.9268 -18.9175 -18.9174 -18.8986 -18.8986 -18.8959 -18.8958 -18.8929 -18.8929 -18.8857 -18.8857 -11.7486 -11.7486 -10.3331 -10.3331 -7.8244 -7.8244 -6.3186 -6.3186 -2.0770 -2.0770 -1.4073 -1.4073 -0.8868 -0.8868 -0.3581 -0.3581 0.4106 0.4106 1.0023 1.0023 2.2608 2.2608 4.0824 4.0824 4.6110 4.6110 5.1591 5.1591 5.2668 5.2668 k = 0.0000 0.3050 0.3117 ( 8130 PWs) bands (ev): -21.8903 -21.8902 -21.8899 -21.8899 -21.8759 -21.8759 -21.8741 -21.8741 -18.9265 -18.9265 -18.9175 -18.9175 -18.8985 -18.8985 -18.8957 -18.8957 -18.8929 -18.8928 -18.8859 -18.8859 -11.7257 -11.7257 -10.3238 -10.3238 -7.8585 -7.8585 -6.3698 -6.3698 -2.0556 -2.0556 -1.3956 -1.3956 -0.8383 -0.8383 -0.3416 -0.3416 0.4529 0.4529 0.9779 0.9779 2.2687 2.2687 3.9913 3.9913 4.5582 4.5582 5.0703 5.0703 5.2698 5.2698 k = 0.0000 0.3327 0.3400 ( 8110 PWs) bands (ev): -21.8902 -21.8902 -21.8898 -21.8898 -21.8758 -21.8758 -21.8741 -21.8741 -18.9262 -18.9262 -18.9175 -18.9175 -18.8983 -18.8983 -18.8956 -18.8955 -18.8928 -18.8928 -18.8862 -18.8862 -11.7008 -11.7008 -10.3141 -10.3141 -7.8932 -7.8932 -6.4233 -6.4233 -2.0334 -2.0334 -1.3984 -1.3984 -0.7695 -0.7695 -0.3362 -0.3362 0.5032 0.5032 0.9564 0.9564 2.2736 2.2736 3.8912 3.8912 4.4921 4.4921 4.9948 4.9948 5.2735 5.2735 k = 0.0000 0.3605 0.3684 ( 8102 PWs) bands (ev): -21.8902 -21.8902 -21.8898 -21.8898 -21.8757 -21.8757 -21.8741 -21.8741 -18.9258 -18.9258 -18.9175 -18.9175 -18.8982 -18.8982 -18.8954 -18.8954 -18.8928 -18.8927 -18.8864 -18.8864 -11.6738 -11.6738 -10.3042 -10.3042 -7.9280 -7.9280 -6.4787 -6.4787 -2.0107 -2.0107 -1.4131 -1.4131 -0.6835 -0.6835 -0.3412 -0.3412 0.5554 0.5554 0.9419 0.9419 2.2738 2.2738 3.7871 3.7871 4.4095 4.4095 4.9350 4.9350 5.2759 5.2759 k = 0.0000 0.3882 0.3967 ( 8106 PWs) bands (ev): -21.8902 -21.8901 -21.8897 -21.8897 -21.8757 -21.8757 -21.8741 -21.8741 -18.9255 -18.9255 -18.9175 -18.9175 -18.8980 -18.8980 -18.8952 -18.8952 -18.8927 -18.8927 -18.8867 -18.8867 -11.6449 -11.6449 -10.2944 -10.2944 -7.9622 -7.9622 -6.5356 -6.5356 -1.9881 -1.9881 -1.4357 -1.4357 -0.5848 -0.5848 -0.3544 -0.3544 0.5995 0.5995 0.9412 0.9412 2.2678 2.2678 3.6854 3.6854 4.3083 4.3083 4.8908 4.8908 5.2756 5.2756 k = 0.0000 0.4159 0.4251 ( 8106 PWs) bands (ev): -21.8901 -21.8901 -21.8897 -21.8896 -21.8756 -21.8756 -21.8741 -21.8741 -18.9251 -18.9251 -18.9176 -18.9176 -18.8978 -18.8978 -18.8950 -18.8949 -18.8927 -18.8926 -18.8870 -18.8870 -11.6140 -11.6140 -10.2847 -10.2847 -7.9954 -7.9954 -6.5936 -6.5936 -1.9663 -1.9663 -1.4628 -1.4628 -0.4821 -0.4821 -0.3688 -0.3688 0.6242 0.6242 0.9608 0.9608 2.2546 2.2546 3.5925 3.5925 4.1892 4.1892 4.8606 4.8606 5.2715 5.2715 k = 0.0000 0.4437 0.4534 ( 8112 PWs) bands (ev): -21.8901 -21.8900 -21.8896 -21.8896 -21.8755 -21.8755 -21.8741 -21.8741 -18.9248 -18.9248 -18.9176 -18.9176 -18.8977 -18.8977 -18.8947 -18.8947 -18.8926 -18.8926 -18.8873 -18.8873 -11.5812 -11.5812 -10.2755 -10.2755 -8.0270 -8.0270 -6.6522 -6.6522 -1.9467 -1.9467 -1.4910 -1.4910 -0.4327 -0.4327 -0.3285 -0.3285 0.6260 0.6260 0.9988 0.9988 2.2350 2.2350 3.5142 3.5142 4.0550 4.0550 4.8420 4.8420 5.2627 5.2627 k = 0.0000 0.4714 0.4817 ( 8116 PWs) bands (ev): -21.8900 -21.8900 -21.8896 -21.8895 -21.8754 -21.8754 -21.8741 -21.8741 -18.9244 -18.9244 -18.9177 -18.9177 -18.8975 -18.8975 -18.8945 -18.8945 -18.8926 -18.8926 -18.8876 -18.8876 -11.5466 -11.5466 -10.2669 -10.2669 -8.0566 -8.0566 -6.7112 -6.7112 -1.9312 -1.9312 -1.5171 -1.5171 -0.4562 -0.4562 -0.2151 -0.2151 0.6108 0.6108 1.0415 1.0415 2.2132 2.2132 3.4539 3.4539 3.9103 3.9103 4.8326 4.8326 5.2490 5.2490 k = 0.0000 0.4991 0.5101 ( 8110 PWs) bands (ev): -21.8900 -21.8899 -21.8895 -21.8894 -21.8753 -21.8753 -21.8741 -21.8741 -18.9240 -18.9240 -18.9177 -18.9177 -18.8974 -18.8974 -18.8942 -18.8942 -18.8926 -18.8926 -18.8879 -18.8879 -11.5101 -11.5101 -10.2591 -10.2591 -8.0836 -8.0836 -6.7701 -6.7701 -1.9224 -1.9224 -1.5374 -1.5374 -0.4923 -0.4923 -0.0904 -0.0904 0.5867 0.5867 1.0715 1.0715 2.1978 2.1978 3.4098 3.4098 3.7624 3.7624 4.8306 4.8306 5.2307 5.2307 k = 0.0000 0.5268 0.5384 ( 8122 PWs) bands (ev): -21.8899 -21.8899 -21.8894 -21.8894 -21.8752 -21.8752 -21.8741 -21.8741 -18.9236 -18.9236 -18.9178 -18.9178 -18.8972 -18.8972 -18.8939 -18.8939 -18.8926 -18.8926 -18.8882 -18.8882 -11.4720 -11.4720 -10.2524 -10.2524 -8.1077 -8.1077 -6.8287 -6.8287 -1.9231 -1.9231 -1.5485 -1.5485 -0.5333 -0.5333 0.0342 0.0342 0.5608 0.5608 1.0734 1.0734 2.2002 2.2002 3.3685 3.3685 3.6284 3.6284 4.8346 4.8346 5.2084 5.2084 k = 0.0000 0.5546 0.5667 ( 8126 PWs) bands (ev): -21.8899 -21.8898 -21.8893 -21.8893 -21.8751 -21.8751 -21.8741 -21.8741 -18.9232 -18.9232 -18.9179 -18.9179 -18.8971 -18.8971 -18.8937 -18.8936 -18.8927 -18.8926 -18.8885 -18.8885 -11.4322 -11.4322 -10.2469 -10.2469 -8.1283 -8.1283 -6.8867 -6.8867 -1.9351 -1.9351 -1.5481 -1.5481 -0.5773 -0.5773 0.1497 0.1497 0.5418 0.5418 1.0375 1.0375 2.2291 2.2291 3.2919 3.2919 3.5482 3.5482 4.8435 4.8435 5.1833 5.1833 k = 0.0000 0.5823 0.5951 ( 8120 PWs) bands (ev): -21.8898 -21.8898 -21.8893 -21.8892 -21.8750 -21.8750 -21.8741 -21.8741 -18.9229 -18.9228 -18.9180 -18.9180 -18.8969 -18.8969 -18.8934 -18.8933 -18.8928 -18.8927 -18.8887 -18.8887 -11.3908 -11.3908 -10.2428 -10.2428 -8.1451 -8.1451 -6.9438 -6.9438 -1.9581 -1.9581 -1.5360 -1.5360 -0.6235 -0.6235 0.2382 0.2382 0.5467 0.5467 0.9633 0.9633 2.2857 2.2857 3.1631 3.1631 3.5405 3.5405 4.8563 4.8563 5.1563 5.1563 k = 0.0000 0.6100 0.6234 ( 8132 PWs) bands (ev): -21.8898 -21.8898 -21.8892 -21.8892 -21.8749 -21.8749 -21.8741 -21.8741 -18.9225 -18.9225 -18.9181 -18.9181 -18.8968 -18.8968 -18.8932 -18.8931 -18.8928 -18.8928 -18.8889 -18.8889 -11.3480 -11.3480 -10.2404 -10.2404 -8.1578 -8.1578 -6.9997 -6.9997 -1.9902 -1.9902 -1.5140 -1.5140 -0.6714 -0.6714 0.2754 0.2754 0.5967 0.5967 0.8584 0.8584 2.3629 2.3629 3.0163 3.0164 3.5747 3.5747 4.8723 4.8723 5.1287 5.1287 k = 0.0000 0.6378 0.6518 ( 8142 PWs) bands (ev): -21.8898 -21.8897 -21.8891 -21.8891 -21.8748 -21.8748 -21.8741 -21.8741 -18.9221 -18.9221 -18.9182 -18.9182 -18.8967 -18.8967 -18.8933 -18.8932 -18.8926 -18.8925 -18.8890 -18.8890 -11.3038 -11.3038 -10.2397 -10.2397 -8.1662 -8.1662 -7.0544 -7.0544 -2.0288 -2.0288 -1.4846 -1.4846 -0.7205 -0.7205 0.2663 0.2663 0.6668 0.6668 0.7484 0.7484 2.4456 2.4456 2.8801 2.8801 3.6324 3.6324 4.8902 4.8902 5.1019 5.1019 k = 0.0000 0.6655 0.6801 ( 8138 PWs) bands (ev): -21.8897 -21.8897 -21.8890 -21.8890 -21.8747 -21.8747 -21.8741 -21.8741 -18.9218 -18.9218 -18.9184 -18.9183 -18.8966 -18.8966 -18.8935 -18.8934 -18.8923 -18.8922 -18.8891 -18.8891 -11.2583 -11.2583 -10.2408 -10.2408 -8.1700 -8.1700 -7.1074 -7.1074 -2.0717 -2.0717 -1.4496 -1.4496 -0.7707 -0.7707 0.2335 0.2335 0.5705 0.5705 0.8008 0.8008 2.4969 2.4969 2.7949 2.7950 3.7071 3.7071 4.9082 4.9082 5.0784 5.0784 k = 0.0000 0.6932 0.7084 ( 8126 PWs) bands (ev): -21.8897 -21.8897 -21.8890 -21.8889 -21.8746 -21.8746 -21.8741 -21.8741 -18.9214 -18.9214 -18.9185 -18.9185 -18.8966 -18.8966 -18.8938 -18.8937 -18.8919 -18.8919 -18.8891 -18.8891 -11.2117 -11.2117 -10.2438 -10.2438 -8.1690 -8.1690 -7.1587 -7.1587 -2.1174 -2.1174 -1.4109 -1.4109 -0.8215 -0.8215 0.1867 0.1867 0.4226 0.4226 0.8898 0.8898 2.4630 2.4630 2.8188 2.8188 3.7957 3.7957 4.9229 4.9229 5.0622 5.0622 k = 0.0000 0.7209 0.7368 ( 8134 PWs) bands (ev): -21.8897 -21.8896 -21.8889 -21.8889 -21.8745 -21.8745 -21.8741 -21.8741 -18.9212 -18.9211 -18.9186 -18.9186 -18.8966 -18.8966 -18.8941 -18.8941 -18.8916 -18.8915 -18.8891 -18.8891 -11.1641 -11.1641 -10.2487 -10.2487 -8.1633 -8.1633 -7.2082 -7.2082 -2.1647 -2.1647 -1.3697 -1.3697 -0.8729 -0.8729 0.1207 0.1207 0.2811 0.2812 0.9580 0.9580 2.3898 2.3899 2.9126 2.9126 3.8963 3.8963 4.9290 4.9290 5.0594 5.0594 k = 0.0000 0.7487 0.7651 ( 8140 PWs) bands (ev): -21.8896 -21.8896 -21.8888 -21.8888 -21.8745 -21.8744 -21.8742 -21.8741 -18.9209 -18.9209 -18.9187 -18.9187 -18.8966 -18.8966 -18.8945 -18.8945 -18.8912 -18.8912 -18.8890 -18.8890 -11.1156 -11.1156 -10.2554 -10.2554 -8.1528 -8.1528 -7.2555 -7.2555 -2.2129 -2.2129 -1.3272 -1.3272 -0.9245 -0.9245 0.0120 0.0120 0.1767 0.1767 0.9905 0.9906 2.3362 2.3362 3.0266 3.0266 4.0064 4.0065 4.9250 4.9250 5.0731 5.0731 k = 0.0000 0.7764 0.7934 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8887 -21.8887 -21.8744 -21.8744 -21.8742 -21.8741 -18.9207 -18.9207 -18.9188 -18.9187 -18.8967 -18.8966 -18.8949 -18.8949 -18.8908 -18.8908 -18.8888 -18.8888 -11.0663 -11.0663 -10.2640 -10.2640 -8.1375 -8.1375 -7.3006 -7.3006 -2.2612 -2.2612 -1.2852 -1.2852 -0.9758 -0.9758 -0.1357 -0.1357 0.1097 0.1097 0.9782 0.9782 2.3234 2.3234 3.1460 3.1460 4.1235 4.1235 4.9166 4.9166 5.0996 5.0996 k = 0.0000 0.8041 0.8218 ( 8144 PWs) bands (ev): -21.8896 -21.8896 -21.8887 -21.8886 -21.8744 -21.8743 -21.8742 -21.8741 -18.9206 -18.9206 -18.9187 -18.9187 -18.8968 -18.8968 -18.8952 -18.8952 -18.8905 -18.8904 -18.8887 -18.8886 -11.0165 -11.0165 -10.2741 -10.2741 -8.1178 -8.1178 -7.3434 -7.3434 -2.3094 -2.3094 -1.2468 -1.2468 -1.0249 -1.0249 -0.2951 -0.2951 0.0562 0.0562 0.9210 0.9210 2.3543 2.3543 3.2661 3.2661 4.2430 4.2430 4.9118 4.9118 5.1345 5.1345 k = 0.0000 0.8319 0.8501 ( 8140 PWs) bands (ev): -21.8896 -21.8895 -21.8886 -21.8886 -21.8744 -21.8743 -21.8741 -21.8741 -18.9207 -18.9206 -18.9186 -18.9186 -18.8971 -18.8970 -18.8955 -18.8955 -18.8901 -18.8901 -18.8884 -18.8884 -10.9663 -10.9663 -10.2858 -10.2858 -8.0936 -8.0936 -7.3836 -7.3836 -2.3570 -2.3570 -1.2215 -1.2215 -1.0645 -1.0645 -0.4538 -0.4538 0.0073 0.0073 0.8280 0.8280 2.4211 2.4211 3.3850 3.3850 4.3582 4.3582 4.9188 4.9188 5.1756 5.1756 k = 0.0000 0.8596 0.8785 ( 8130 PWs) bands (ev): -21.8895 -21.8895 -21.8885 -21.8885 -21.8744 -21.8743 -21.8740 -21.8740 -18.9208 -18.9207 -18.9185 -18.9184 -18.8974 -18.8974 -18.8957 -18.8957 -18.8897 -18.8897 -18.8882 -18.8882 -10.9160 -10.9160 -10.2988 -10.2988 -8.0654 -8.0654 -7.4213 -7.4213 -2.4038 -2.4038 -1.2314 -1.2314 -1.0755 -1.0755 -0.6055 -0.6055 -0.0397 -0.0397 0.7110 0.7110 2.5125 2.5125 3.5013 3.5013 4.4594 4.4594 4.9469 4.9469 5.2229 5.2229 k = 0.0000 0.8873 0.9068 ( 8150 PWs) bands (ev): -21.8895 -21.8895 -21.8885 -21.8885 -21.8744 -21.8744 -21.8740 -21.8739 -18.9209 -18.9209 -18.9182 -18.9182 -18.8979 -18.8978 -18.8959 -18.8958 -18.8894 -18.8894 -18.8880 -18.8879 -10.8656 -10.8656 -10.3129 -10.3129 -8.0333 -8.0333 -7.4564 -7.4564 -2.4496 -2.4496 -1.2835 -1.2835 -1.0564 -1.0564 -0.7437 -0.7437 -0.0856 -0.0856 0.5802 0.5802 2.6185 2.6185 3.6137 3.6137 4.5369 4.5369 5.0038 5.0038 5.2777 5.2777 k = 0.0000 0.9150 0.9351 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8884 -21.8884 -21.8744 -21.8744 -21.8739 -21.8739 -18.9211 -18.9211 -18.9180 -18.9180 -18.8983 -18.8983 -18.8960 -18.8960 -18.8891 -18.8890 -18.8877 -18.8877 -10.8154 -10.8154 -10.3280 -10.3280 -7.9978 -7.9978 -7.4887 -7.4887 -2.4941 -2.4941 -1.3624 -1.3624 -1.0334 -1.0334 -0.8571 -0.8571 -0.1308 -0.1308 0.4434 0.4434 2.7321 2.7321 3.7205 3.7205 4.5901 4.5901 5.0865 5.0865 5.3436 5.3436 k = 0.0000 0.9428 0.9635 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8883 -21.8883 -21.8745 -21.8745 -21.8738 -21.8738 -18.9214 -18.9214 -18.9178 -18.9178 -18.8989 -18.8989 -18.8961 -18.8961 -18.8887 -18.8887 -18.8874 -18.8874 -10.7657 -10.7657 -10.3437 -10.3437 -7.9592 -7.9592 -7.5181 -7.5181 -2.5373 -2.5373 -1.4614 -1.4614 -1.0434 -1.0434 -0.9158 -0.9158 -0.1758 -0.1758 0.3067 0.3067 2.8486 2.8486 3.8192 3.8192 4.6291 4.6291 5.1793 5.1793 5.4265 5.4265 k = 0.0000 0.9705 0.9918 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8883 -21.8883 -21.8745 -21.8745 -21.8738 -21.8737 -18.9216 -18.9216 -18.9175 -18.9175 -18.8994 -18.8994 -18.8962 -18.8962 -18.8884 -18.8884 -18.8871 -18.8871 -10.7167 -10.7167 -10.3599 -10.3599 -7.9178 -7.9178 -7.5447 -7.5447 -2.5790 -2.5790 -1.5770 -1.5770 -1.1010 -1.1010 -0.9099 -0.9099 -0.2209 -0.2209 0.1752 0.1752 2.9648 2.9648 3.9065 3.9065 4.6664 4.6664 5.2661 5.2661 5.5308 5.5308 k = 0.0000 0.9982 1.0201 ( 8134 PWs) bands (ev): -21.8895 -21.8895 -21.8882 -21.8882 -21.8745 -21.8745 -21.8737 -21.8737 -18.9219 -18.9219 -18.9173 -18.9173 -18.8999 -18.8999 -18.8962 -18.8962 -18.8881 -18.8881 -18.8868 -18.8868 -10.6686 -10.6686 -10.3763 -10.3763 -7.8742 -7.8742 -7.5684 -7.5684 -2.6191 -2.6191 -1.7039 -1.7039 -1.1633 -1.1633 -0.8900 -0.8900 -0.2664 -0.2664 0.0542 0.0542 3.0785 3.0785 3.9793 3.9793 4.7108 4.7108 5.3417 5.3417 5.6528 5.6528 k = 0.0000 1.0260 1.0485 ( 8132 PWs) bands (ev): -21.8895 -21.8895 -21.8882 -21.8882 -21.8746 -21.8746 -21.8736 -21.8736 -18.9222 -18.9222 -18.9171 -18.9171 -18.9005 -18.9005 -18.8963 -18.8963 -18.8878 -18.8878 -18.8865 -18.8865 -10.6216 -10.6216 -10.3929 -10.3929 -7.8287 -7.8287 -7.5893 -7.5893 -2.6574 -2.6574 -1.8366 -1.8366 -1.2185 -1.2185 -0.8772 -0.8772 -0.3114 -0.3114 -0.0512 -0.0512 3.1883 3.1883 4.0354 4.0354 4.7671 4.7671 5.4091 5.4092 5.7828 5.7829 k = 0.0000 1.0537 1.0768 ( 8128 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8881 -21.8746 -21.8746 -21.8736 -21.8736 -18.9225 -18.9225 -18.9169 -18.9169 -18.9010 -18.9010 -18.8964 -18.8964 -18.8875 -18.8875 -18.8862 -18.8862 -10.5761 -10.5761 -10.4093 -10.4093 -7.7818 -7.7818 -7.6073 -7.6073 -2.6940 -2.6940 -1.9710 -1.9710 -1.2668 -1.2668 -0.8815 -0.8815 -0.3522 -0.3522 -0.1371 -0.1371 3.2933 3.2933 4.0752 4.0752 4.8358 4.8358 5.4722 5.4722 5.9106 5.9106 k = 0.0000 1.0814 1.1052 ( 8124 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8881 -21.8747 -21.8747 -21.8735 -21.8735 -18.9228 -18.9227 -18.9167 -18.9167 -18.9015 -18.9015 -18.8965 -18.8965 -18.8872 -18.8872 -18.8860 -18.8860 -10.5322 -10.5322 -10.4253 -10.4253 -7.7341 -7.7341 -7.6225 -7.6225 -2.7287 -2.7287 -2.1040 -2.1040 -1.3096 -1.3096 -0.9103 -0.9103 -0.3822 -0.3822 -0.2031 -0.2031 3.3926 3.3926 4.1013 4.1013 4.9143 4.9143 5.5329 5.5329 6.0231 6.0231 k = 0.0000 1.1091 1.1335 ( 8132 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8880 -21.8747 -21.8747 -21.8735 -21.8735 -18.9230 -18.9230 -18.9165 -18.9165 -18.9020 -18.9020 -18.8966 -18.8965 -18.8869 -18.8869 -18.8857 -18.8857 -10.4902 -10.4902 -10.4410 -10.4410 -7.6860 -7.6860 -7.6350 -7.6350 -2.7614 -2.7614 -2.2335 -2.2335 -1.3479 -1.3479 -0.9650 -0.9650 -0.3970 -0.3970 -0.2518 -0.2518 3.4857 3.4857 4.1172 4.1172 4.9984 4.9984 5.5920 5.5920 6.0853 6.0853 k = 0.0000 1.1369 1.1618 ( 8134 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8880 -21.8748 -21.8748 -21.8734 -21.8734 -18.9233 -18.9233 -18.9163 -18.9163 -18.9025 -18.9024 -18.8966 -18.8966 -18.8867 -18.8867 -18.8854 -18.8854 -10.4561 -10.4561 -10.4502 -10.4502 -7.6450 -7.6450 -7.6380 -7.6380 -2.7922 -2.7922 -2.3581 -2.3581 -1.3825 -1.3825 -1.0397 -1.0397 -0.4003 -0.4003 -0.2852 -0.2852 3.5719 3.5719 4.1265 4.1265 5.0840 5.0840 5.6490 5.6490 6.1014 6.1014 k = 0.0000 1.1646 1.1902 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8880 -21.8748 -21.8748 -21.8734 -21.8734 -18.9235 -18.9235 -18.9162 -18.9162 -18.9029 -18.9029 -18.8967 -18.8967 -18.8865 -18.8865 -18.8852 -18.8852 -10.4703 -10.4703 -10.4127 -10.4127 -7.6526 -7.6526 -7.5908 -7.5908 -2.8208 -2.8208 -2.4766 -2.4766 -1.4139 -1.4139 -1.1257 -1.1257 -0.4024 -0.4024 -0.3012 -0.3012 3.6507 3.6508 4.1324 4.1324 5.1679 5.1680 5.7025 5.7025 6.1112 6.1112 k = 0.0000 1.1923 1.2185 ( 8144 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8879 -21.8749 -21.8749 -21.8734 -21.8734 -18.9238 -18.9238 -18.9160 -18.9160 -18.9033 -18.9033 -18.8968 -18.8968 -18.8863 -18.8863 -18.8849 -18.8849 -10.4837 -10.4837 -10.3778 -10.3777 -7.6581 -7.6581 -7.5449 -7.5449 -2.8474 -2.8474 -2.5881 -2.5881 -1.4424 -1.4424 -1.2157 -1.2157 -0.4121 -0.4121 -0.2979 -0.2979 3.7213 3.7213 4.1372 4.1372 5.2479 5.2479 5.7505 5.7505 6.1232 6.1232 k = 0.0000 1.2201 1.2468 ( 8148 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8749 -21.8749 -21.8733 -21.8733 -18.9240 -18.9240 -18.9159 -18.9159 -18.9037 -18.9037 -18.8968 -18.8968 -18.8861 -18.8861 -18.8847 -18.8847 -10.4962 -10.4962 -10.3455 -10.3455 -7.6616 -7.6616 -7.5008 -7.5008 -2.8717 -2.8717 -2.6918 -2.6918 -1.4684 -1.4684 -1.3045 -1.3045 -0.4280 -0.4280 -0.2813 -0.2813 3.7828 3.7828 4.1429 4.1429 5.3226 5.3226 5.7911 5.7911 6.1395 6.1395 k = 0.0000 1.2478 1.2752 ( 8140 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8749 -21.8749 -21.8733 -21.8733 -18.9242 -18.9242 -18.9158 -18.9158 -18.9040 -18.9040 -18.8969 -18.8969 -18.8859 -18.8859 -18.8845 -18.8845 -10.5076 -10.5076 -10.3162 -10.3162 -7.6635 -7.6635 -7.4592 -7.4592 -2.8938 -2.8938 -2.7868 -2.7868 -1.4928 -1.4928 -1.3882 -1.3882 -0.4455 -0.4455 -0.2589 -0.2589 3.8342 3.8342 4.1511 4.1512 5.3915 5.3915 5.8229 5.8229 6.1602 6.1602 k = 0.0000 1.2755 1.3035 ( 8146 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8733 -21.8733 -18.9244 -18.9244 -18.9157 -18.9157 -18.9043 -18.9043 -18.8969 -18.8969 -18.8857 -18.8857 -18.8844 -18.8843 -10.5179 -10.5179 -10.2900 -10.2900 -7.6640 -7.6640 -7.4206 -7.4206 -2.9138 -2.9138 -2.8725 -2.8725 -1.5187 -1.5187 -1.4615 -1.4615 -0.4623 -0.4623 -0.2350 -0.2350 3.8750 3.8750 4.1629 4.1629 5.4542 5.4542 5.8461 5.8461 6.1838 6.1838 k = 0.0000 1.3032 1.3319 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9246 -18.9246 -18.9156 -18.9156 -18.9046 -18.9046 -18.8970 -18.8970 -18.8856 -18.8856 -18.8842 -18.8842 -10.5269 -10.5269 -10.2670 -10.2670 -7.6636 -7.6636 -7.3857 -7.3857 -2.9496 -2.9496 -2.9301 -2.9301 -1.5595 -1.5595 -1.5093 -1.5093 -0.4774 -0.4774 -0.2120 -0.2120 3.9054 3.9054 4.1782 4.1782 5.5107 5.5107 5.8618 5.8618 6.2081 6.2081 k = 0.0000 1.3310 1.3602 ( 8138 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9247 -18.9247 -18.9156 -18.9156 -18.9048 -18.9048 -18.8970 -18.8970 -18.8855 -18.8855 -18.8841 -18.8841 -10.5347 -10.5347 -10.2472 -10.2472 -7.6625 -7.6625 -7.3549 -7.3549 -3.0147 -3.0147 -2.9455 -2.9455 -1.6141 -1.6141 -1.5316 -1.5316 -0.4905 -0.4905 -0.1910 -0.1910 3.9266 3.9266 4.1958 4.1958 5.5607 5.5607 5.8718 5.8718 6.2306 6.2306 k = 0.0000 1.3587 1.3885 ( 8144 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9050 -18.9050 -18.8971 -18.8971 -18.8854 -18.8854 -18.8839 -18.8839 -10.5412 -10.5412 -10.2309 -10.2309 -7.6610 -7.6610 -7.3287 -7.3287 -3.0694 -3.0694 -2.9580 -2.9580 -1.6643 -1.6643 -1.5458 -1.5458 -0.5013 -0.5013 -0.1728 -0.1728 3.9406 3.9406 4.2138 4.2138 5.6038 5.6038 5.8776 5.8776 6.2496 6.2496 k = 0.0000 1.3864 1.4169 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9155 -18.9155 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8839 -18.8839 -10.5463 -10.5463 -10.2180 -10.2180 -7.6595 -7.6595 -7.3077 -7.3077 -3.1128 -3.1128 -2.9678 -2.9678 -1.7052 -1.7052 -1.5561 -1.5561 -0.5098 -0.5098 -0.1580 -0.1580 3.9495 3.9495 4.2301 4.2301 5.6394 5.6394 5.8806 5.8806 6.2643 6.2643 k = 0.0000 1.4142 1.4452 ( 8160 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5501 -10.5501 -10.2087 -10.2087 -7.6582 -7.6582 -7.2922 -7.2922 -3.1445 -3.1445 -2.9750 -2.9750 -1.7355 -1.7355 -1.5633 -1.5633 -0.5160 -0.5160 -0.1471 -0.1471 3.9549 3.9549 4.2430 4.2430 5.6664 5.6664 5.8817 5.8817 6.2743 6.2743 k = 0.0000 1.4419 1.4735 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5524 -10.5524 -10.2029 -10.2029 -7.6573 -7.6573 -7.2824 -7.2824 -3.1643 -3.1643 -2.9795 -2.9795 -1.7545 -1.7545 -1.5677 -1.5677 -0.5199 -0.5199 -0.1402 -0.1402 3.9577 3.9577 4.2514 4.2514 5.6839 5.6839 5.8819 5.8819 6.2800 6.2800 k = 0.0000 1.4419 1.4735 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5524 -10.5524 -10.2029 -10.2029 -7.6573 -7.6573 -7.2824 -7.2824 -3.1643 -3.1643 -2.9795 -2.9795 -1.7545 -1.7545 -1.5677 -1.5677 -0.5199 -0.5199 -0.1402 -0.1402 3.9577 3.9577 4.2514 4.2514 5.6839 5.6839 5.8819 5.8819 6.2800 6.2800 k = 0.0072 1.4027 1.4735 ( 8156 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5518 -10.5518 -10.2064 -10.2063 -7.6588 -7.6588 -7.2884 -7.2884 -3.1519 -3.1507 -2.9744 -2.9735 -1.7424 -1.7416 -1.5630 -1.5621 -0.5183 -0.5181 -0.1440 -0.1439 3.9517 3.9545 4.2449 4.2481 5.6677 5.6681 5.8836 5.8848 6.2752 6.2772 k = 0.0145 1.3636 1.4735 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9155 -18.9154 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5523 -10.5522 -10.2112 -10.2111 -7.6623 -7.6622 -7.2967 -7.2967 -3.1325 -3.1302 -2.9627 -2.9609 -1.7236 -1.7220 -1.5521 -1.5503 -0.5170 -0.5167 -0.1487 -0.1486 3.9393 3.9447 4.2369 4.2431 5.6387 5.6391 5.8875 5.8898 6.2685 6.2714 k = 0.0217 1.3244 1.4735 ( 8154 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8750 -21.8732 -21.8732 -18.9250 -18.9249 -18.9155 -18.9155 -18.9051 -18.9051 -18.8970 -18.8970 -18.8854 -18.8854 -18.8839 -18.8839 -10.5539 -10.5537 -10.2174 -10.2172 -7.6678 -7.6677 -7.3074 -7.3073 -3.1063 -3.1029 -2.9444 -2.9417 -1.6982 -1.6960 -1.5350 -1.5324 -0.5159 -0.5154 -0.1543 -0.1541 3.9206 3.9283 4.2273 4.2361 5.5994 5.5998 5.8901 5.8932 6.2599 6.2628 k = 0.0290 1.2852 1.4735 ( 8154 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8878 -21.8751 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9049 -18.9049 -18.8970 -18.8970 -18.8855 -18.8855 -18.8840 -18.8840 -10.5564 -10.5562 -10.2248 -10.2246 -7.6751 -7.6750 -7.3203 -7.3202 -3.0734 -3.0688 -2.9195 -2.9159 -1.6665 -1.6636 -1.5118 -1.5085 -0.5151 -0.5143 -0.1606 -0.1604 3.8962 3.9059 4.2159 4.2269 5.5519 5.5520 5.8881 5.8919 6.2497 6.2520 k = 0.0362 1.2460 1.4735 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9248 -18.9248 -18.9156 -18.9155 -18.9047 -18.9047 -18.8969 -18.8969 -18.8856 -18.8856 -18.8841 -18.8841 -10.5600 -10.5597 -10.2334 -10.2332 -7.6842 -7.6841 -7.3352 -7.3351 -3.0339 -3.0282 -2.8881 -2.8837 -1.6286 -1.6252 -1.4827 -1.4787 -0.5142 -0.5132 -0.1675 -0.1672 3.8664 3.8776 4.2023 4.2151 5.4970 5.4971 5.8789 5.8836 6.2381 6.2393 k = 0.0435 1.2069 1.4735 ( 8160 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9247 -18.9247 -18.9156 -18.9156 -18.9045 -18.9045 -18.8968 -18.8968 -18.8858 -18.8857 -18.8843 -18.8843 -10.5644 -10.5641 -10.2432 -10.2429 -7.6949 -7.6948 -7.3521 -7.3520 -2.9879 -2.9811 -2.8504 -2.8452 -1.5849 -1.5812 -1.4476 -1.4432 -0.5132 -0.5119 -0.1749 -0.1745 3.8317 3.8441 4.1862 4.2003 5.4352 5.4355 5.8605 5.8662 6.2252 6.2255 k = 0.0507 1.1677 1.4735 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9246 -18.9246 -18.9157 -18.9156 -18.9042 -18.9042 -18.8967 -18.8967 -18.8859 -18.8859 -18.8845 -18.8844 -10.5697 -10.5694 -10.2541 -10.2537 -7.7072 -7.7070 -7.3707 -7.3706 -2.9357 -2.9277 -2.8064 -2.8005 -1.5357 -1.5319 -1.4068 -1.4022 -0.5118 -0.5101 -0.1825 -0.1820 3.7923 3.8055 4.1672 4.1823 5.3671 5.3675 5.8314 5.8384 6.2095 6.2115 k = 0.0580 1.1285 1.4735 ( 8138 PWs) bands (ev): -21.8896 -21.8896 -21.8880 -21.8879 -21.8750 -21.8749 -21.8733 -21.8732 -18.9245 -18.9245 -18.9158 -18.9157 -18.9039 -18.9039 -18.8966 -18.8966 -18.8861 -18.8861 -18.8846 -18.8846 -10.5758 -10.5755 -10.2660 -10.2655 -7.7207 -7.7205 -7.3909 -7.3907 -2.8774 -2.8683 -2.7564 -2.7497 -1.4816 -1.4780 -1.3603 -1.3558 -0.5096 -0.5075 -0.1901 -0.1894 3.7485 3.7624 4.1449 4.1608 5.2930 5.2934 5.7911 5.7993 6.1915 6.1954 k = 0.0652 1.0894 1.4735 ( 8142 PWs) bands (ev): -21.8896 -21.8896 -21.8880 -21.8880 -21.8750 -21.8749 -21.8733 -21.8732 -18.9244 -18.9244 -18.9159 -18.9158 -18.9036 -18.9036 -18.8965 -18.8965 -18.8863 -18.8863 -18.8848 -18.8848 -10.5827 -10.5823 -10.2787 -10.2782 -7.7354 -7.7353 -7.4125 -7.4123 -2.8132 -2.8031 -2.7004 -2.6930 -1.4233 -1.4204 -1.3082 -1.3044 -0.5063 -0.5036 -0.1975 -0.1965 3.7004 3.7148 4.1191 4.1354 5.2133 5.2137 5.7395 5.7491 6.1696 6.1754 k = 0.0725 1.0502 1.4735 ( 8132 PWs) bands (ev): -21.8896 -21.8896 -21.8880 -21.8880 -21.8750 -21.8749 -21.8733 -21.8732 -18.9243 -18.9242 -18.9160 -18.9159 -18.9032 -18.9032 -18.8964 -18.8963 -18.8865 -18.8865 -18.8850 -18.8850 -10.5902 -10.5897 -10.2923 -10.2918 -7.7512 -7.7510 -7.4352 -7.4350 -2.7434 -2.7322 -2.6386 -2.6305 -1.3617 -1.3600 -1.2507 -1.2482 -0.5013 -0.4979 -0.2041 -0.2029 3.6482 3.6628 4.0893 4.1060 5.1287 5.1289 5.6773 5.6881 6.1418 6.1496 k = 0.0797 1.0110 1.4735 ( 8139 PWs) bands (ev): -21.8896 -21.8896 -21.8881 -21.8881 -21.8749 -21.8749 -21.8733 -21.8733 -18.9241 -18.9241 -18.9161 -18.9160 -18.9029 -18.9029 -18.8962 -18.8962 -18.8868 -18.8867 -18.8853 -18.8852 -10.5982 -10.5977 -10.3066 -10.3060 -7.7677 -7.7675 -7.4589 -7.4586 -2.6681 -2.6559 -2.5713 -2.5625 -1.2980 -1.2979 -1.1878 -1.1875 -0.4939 -0.4895 -0.2094 -0.2078 3.5917 3.6065 4.0550 4.0719 5.0399 5.0400 5.6055 5.6175 6.1061 6.1157 k = 0.0870 0.9719 1.4735 ( 8131 PWs) bands (ev): -21.8896 -21.8896 -21.8881 -21.8881 -21.8749 -21.8748 -21.8733 -21.8733 -18.9240 -18.9240 -18.9162 -18.9161 -18.9025 -18.9024 -18.8961 -18.8960 -18.8870 -18.8870 -18.8855 -18.8855 -10.6067 -10.6062 -10.3215 -10.3209 -7.7849 -7.7847 -7.4834 -7.4831 -2.5877 -2.5745 -2.4986 -2.4892 -1.2360 -1.2335 -1.1226 -1.1201 -0.4833 -0.4776 -0.2129 -0.2108 3.5308 3.5459 4.0156 4.0328 4.9479 4.9481 5.5254 5.5383 6.0605 6.0718 k = 0.0942 0.9327 1.4735 ( 8145 PWs) bands (ev): -21.8896 -21.8896 -21.8882 -21.8882 -21.8749 -21.8748 -21.8733 -21.8733 -18.9239 -18.9238 -18.9163 -18.9162 -18.9020 -18.9020 -18.8959 -18.8958 -18.8873 -18.8872 -18.8857 -18.8857 -10.6156 -10.6151 -10.3368 -10.3363 -7.8025 -7.8024 -7.5085 -7.5081 -2.5024 -2.4882 -2.4206 -2.4106 -1.1754 -1.1703 -1.0541 -1.0484 -0.4684 -0.4609 -0.2134 -0.2106 3.4655 3.4807 3.9704 3.9877 4.8542 4.8548 5.4382 5.4520 6.0035 6.0163 k = 0.1014 0.8935 1.4735 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8882 -21.8882 -21.8748 -21.8748 -21.8733 -21.8733 -18.9237 -18.9237 -18.9164 -18.9163 -18.9016 -18.9016 -18.8958 -18.8957 -18.8875 -18.8875 -18.8860 -18.8860 -10.6248 -10.6243 -10.3526 -10.3520 -7.8205 -7.8203 -7.5340 -7.5336 -2.4124 -2.3972 -2.3377 -2.3271 -1.1176 -1.1103 -0.9831 -0.9740 -0.4478 -0.4379 -0.2098 -0.2060 3.3954 3.4107 3.9183 3.9357 4.7606 4.7615 5.3454 5.3598 5.9344 5.9487 k = 0.1087 0.8543 1.4735 ( 8148 PWs) bands (ev): -21.8896 -21.8896 -21.8883 -21.8883 -21.8748 -21.8747 -21.8734 -21.8733 -18.9236 -18.9236 -18.9166 -18.9164 -18.9012 -18.9011 -18.8956 -18.8955 -18.8878 -18.8878 -18.8862 -18.8862 -10.6342 -10.6337 -10.3687 -10.3681 -7.8386 -7.8385 -7.5596 -7.5592 -2.3180 -2.3019 -2.2501 -2.2388 -1.0642 -1.0551 -0.9113 -0.8991 -0.4200 -0.4073 -0.2001 -0.1951 3.3204 3.3358 3.8582 3.8758 4.6690 4.6702 5.2483 5.2631 5.8534 5.8688 k = 0.1159 0.8152 1.4735 ( 8144 PWs) bands (ev): -21.8896 -21.8896 -21.8883 -21.8883 -21.8748 -21.8747 -21.8734 -21.8733 -18.9234 -18.9234 -18.9167 -18.9166 -18.9007 -18.9007 -18.8954 -18.8953 -18.8881 -18.8880 -18.8865 -18.8864 -10.6437 -10.6431 -10.3850 -10.3844 -7.8567 -7.8565 -7.5853 -7.5849 -2.2196 -2.2025 -2.1579 -2.1460 -1.0165 -1.0063 -0.8414 -0.8268 -0.3832 -0.3674 -0.1823 -0.1758 3.2401 3.2558 3.7890 3.8066 4.5813 4.5828 5.1482 5.1633 5.7612 5.7775 k = 0.1232 0.7760 1.4735 ( 8140 PWs) bands (ev): -21.8896 -21.8896 -21.8884 -21.8884 -21.8747 -21.8746 -21.8734 -21.8733 -18.9233 -18.9233 -18.9169 -18.9167 -18.9003 -18.9002 -18.8952 -18.8951 -18.8883 -18.8883 -18.8867 -18.8867 -10.6532 -10.6526 -10.4013 -10.4007 -7.8746 -7.8745 -7.6109 -7.6105 -2.1175 -2.0994 -2.0615 -2.0490 -0.9751 -0.9645 -0.7767 -0.7607 -0.3356 -0.3171 -0.1536 -0.1456 3.1544 3.1703 3.7097 3.7273 4.4993 4.5010 5.0464 5.0616 5.6591 5.6759 k = 0.1304 0.7368 1.4735 ( 8140 PWs) bands (ev): -21.8897 -21.8896 -21.8884 -21.8884 -21.8747 -21.8746 -21.8734 -21.8734 -18.9231 -18.9231 -18.9171 -18.9169 -18.8998 -18.8997 -18.8951 -18.8950 -18.8886 -18.8886 -18.8869 -18.8869 -10.6626 -10.6620 -10.4177 -10.4171 -7.8922 -7.8921 -7.6362 -7.6358 -2.0121 -1.9929 -1.9611 -1.9479 -0.9403 -0.9298 -0.7205 -0.7045 -0.2756 -0.2555 -0.1119 -0.1026 3.0631 3.0793 3.6200 3.6376 4.4240 4.4260 4.9439 4.9591 5.5485 5.5655 k = 0.1377 0.6977 1.4735 ( 8146 PWs) bands (ev): -21.8897 -21.8896 -21.8885 -21.8885 -21.8747 -21.8746 -21.8734 -21.8734 -18.9230 -18.9230 -18.9172 -18.9170 -18.8993 -18.8992 -18.8949 -18.8948 -18.8889 -18.8888 -18.8872 -18.8871 -10.6718 -10.6712 -10.4339 -10.4333 -7.9093 -7.9092 -7.6611 -7.6607 -1.9039 -1.8837 -1.8571 -1.8432 -0.9114 -0.9013 -0.6753 -0.6604 -0.2025 -0.1824 -0.0561 -0.0462 2.9663 2.9828 3.5200 3.5376 4.3558 4.3579 4.8418 4.8567 5.4313 5.4481 k = 0.1449 0.6585 1.4735 ( 8148 PWs) bands (ev): -21.8897 -21.8896 -21.8886 -21.8886 -21.8746 -21.8745 -21.8734 -21.8734 -18.9228 -18.9228 -18.9174 -18.9172 -18.8989 -18.8988 -18.8947 -18.8946 -18.8891 -18.8891 -18.8874 -18.8873 -10.6807 -10.6802 -10.4500 -10.4494 -7.9259 -7.9257 -7.6854 -7.6850 -1.7936 -1.7723 -1.7497 -1.7352 -0.8874 -0.8777 -0.6411 -0.6281 -0.1172 -0.0985 0.0128 0.0227 2.8640 2.8810 3.4109 3.4284 4.2940 4.2965 4.7407 4.7553 5.3093 5.3253 k = 0.1522 0.6193 1.4735 ( 8146 PWs) bands (ev): -21.8897 -21.8896 -21.8886 -21.8886 -21.8746 -21.8745 -21.8735 -21.8734 -18.9227 -18.9227 -18.9176 -18.9174 -18.8985 -18.8983 -18.8946 -18.8944 -18.8894 -18.8893 -18.8876 -18.8876 -10.6893 -10.6887 -10.4657 -10.4651 -7.9417 -7.9416 -7.7091 -7.7086 -1.6820 -1.6599 -1.6394 -1.6244 -0.8665 -0.8573 -0.6161 -0.6052 -0.0222 -0.0054 0.0929 0.1025 2.7567 2.7743 3.2940 3.3114 4.2376 4.2406 4.6411 4.6553 5.1842 5.1991 k = 0.1594 0.5802 1.4735 ( 8142 PWs) bands (ev): -21.8897 -21.8896 -21.8887 -21.8887 -21.8745 -21.8744 -21.8735 -21.8734 -18.9226 -18.9225 -18.9178 -18.9175 -18.8980 -18.8979 -18.8944 -18.8943 -18.8896 -18.8896 -18.8878 -18.8877 -10.6974 -10.6969 -10.4811 -10.4805 -7.9567 -7.9566 -7.7320 -7.7315 -1.5703 -1.5477 -1.5265 -1.5113 -0.8469 -0.8381 -0.5975 -0.5884 0.0799 0.0944 0.1818 0.1907 2.6452 2.6635 3.1709 3.1883 4.1845 4.1885 4.5435 4.5572 5.0581 5.0713 k = 0.1667 0.5410 1.4735 ( 8150 PWs) bands (ev): -21.8897 -21.8896 -21.8888 -21.8887 -21.8745 -21.8744 -21.8735 -21.8735 -18.9224 -18.9224 -18.9180 -18.9177 -18.8976 -18.8975 -18.8943 -18.8941 -18.8898 -18.8898 -18.8880 -18.8879 -10.7050 -10.7045 -10.4960 -10.4954 -7.9709 -7.9708 -7.7540 -7.7535 -1.4603 -1.4377 -1.4119 -1.3970 -0.8262 -0.8178 -0.5822 -0.5746 0.1862 0.1984 0.2770 0.2853 2.5305 2.5497 3.0434 3.0607 4.1325 4.1377 4.4483 4.4618 4.9331 4.9438 k = 0.1739 0.5018 1.4735 ( 8144 PWs) bands (ev): -21.8897 -21.8896 -21.8888 -21.8888 -21.8744 -21.8744 -21.8735 -21.8735 -18.9223 -18.9222 -18.9181 -18.9179 -18.8972 -18.8971 -18.8942 -18.8940 -18.8900 -18.8900 -18.8882 -18.8881 -10.7120 -10.7115 -10.5104 -10.5098 -7.9840 -7.9839 -7.7750 -7.7745 -1.3545 -1.3323 -1.2975 -1.2830 -0.8014 -0.7936 -0.5669 -0.5606 0.2939 0.3037 0.3766 0.3841 2.4141 2.4345 2.9134 2.9304 4.0780 4.0852 4.3566 4.3702 4.8110 4.8188 k = 0.1812 0.4626 1.4735 ( 8143 PWs) bands (ev): -21.8897 -21.8896 -21.8889 -21.8889 -21.8744 -21.8743 -21.8735 -21.8735 -18.9221 -18.9221 -18.9183 -18.9181 -18.8969 -18.8967 -18.8940 -18.8939 -18.8901 -18.8901 -18.8883 -18.8883 -10.7184 -10.7179 -10.5241 -10.5237 -7.9960 -7.9959 -7.7949 -7.7944 -1.2566 -1.2354 -1.1858 -1.1717 -0.7682 -0.7613 -0.5481 -0.5429 0.3999 0.4068 0.4786 0.4853 2.2982 2.3200 2.7826 2.7992 4.0167 4.0264 4.2700 4.2843 4.6939 4.6985 k = 0.1884 0.4235 1.4735 ( 8137 PWs) bands (ev): -21.8897 -21.8896 -21.8889 -21.8889 -21.8743 -21.8743 -21.8736 -21.8735 -18.9220 -18.9219 -18.9185 -18.9183 -18.8966 -18.8964 -18.8940 -18.8938 -18.8903 -18.8902 -18.8885 -18.8884 -10.7240 -10.7235 -10.5373 -10.5368 -8.0068 -8.0067 -7.8137 -7.8133 -1.1715 -1.1520 -1.0809 -1.0676 -0.7213 -0.7160 -0.5210 -0.5171 0.5003 0.5037 0.5811 0.5869 2.1856 2.2092 2.6533 2.6690 3.9443 3.9565 4.1905 4.2058 4.5839 4.5853 k = 0.1957 0.3843 1.4735 ( 8129 PWs) bands (ev): -21.8897 -21.8896 -21.8890 -21.8890 -21.8743 -21.8742 -21.8736 -21.8736 -18.9219 -18.9218 -18.9187 -18.9184 -18.8963 -18.8961 -18.8939 -18.8937 -18.8903 -18.8903 -18.8886 -18.8886 -10.7288 -10.7284 -10.5497 -10.5493 -8.0164 -8.0163 -7.8313 -7.8309 -1.1034 -1.0866 -0.9887 -0.9768 -0.6559 -0.6522 -0.4800 -0.4773 0.5897 0.5903 0.6813 0.6863 2.0804 2.1060 2.5279 2.5422 3.8591 3.8730 4.1171 4.1334 4.4824 4.4838 k = 0.2029 0.3451 1.4735 ( 8135 PWs) bands (ev): -21.8896 -21.8896 -21.8891 -21.8891 -21.8742 -21.8742 -21.8736 -21.8736 -18.9217 -18.9216 -18.9189 -18.9186 -18.8960 -18.8958 -18.8939 -18.8937 -18.8904 -18.8903 -18.8888 -18.8887 -10.7327 -10.7324 -10.5613 -10.5609 -8.0247 -8.0245 -7.8477 -7.8472 -1.0534 -1.0399 -0.9153 -0.9061 -0.5706 -0.5678 -0.4201 -0.4184 0.6595 0.6643 0.7748 0.7797 1.9881 2.0160 2.4098 2.4218 3.7634 3.7781 4.0439 4.0613 4.3940 4.3973 k = 0.2101 0.3060 1.4735 ( 8139 PWs) bands (ev): -21.8896 -21.8896 -21.8891 -21.8891 -21.8742 -21.8741 -21.8736 -21.8736 -18.9216 -18.9215 -18.9190 -18.9188 -18.8957 -18.8955 -18.8939 -18.8937 -18.8904 -18.8903 -18.8889 -18.8888 -10.7358 -10.7355 -10.5721 -10.5718 -8.0316 -8.0314 -7.8627 -7.8623 -1.0186 -1.0081 -0.8636 -0.8573 -0.4687 -0.4655 -0.3398 -0.3388 0.7065 0.7157 0.8557 0.8616 1.9156 1.9456 2.3033 2.3115 3.6625 3.6769 3.9638 3.9823 4.3242 4.3283 k = 0.2174 0.2668 1.4735 ( 8141 PWs) bands (ev): -21.8896 -21.8896 -21.8892 -21.8892 -21.8742 -21.8741 -21.8736 -21.8736 -18.9215 -18.9213 -18.9192 -18.9190 -18.8955 -18.8953 -18.8939 -18.8937 -18.8904 -18.8903 -18.8890 -18.8890 -10.7379 -10.7376 -10.5821 -10.5818 -8.0371 -8.0369 -7.8764 -7.8760 -0.9947 -0.9867 -0.8308 -0.8270 -0.3553 -0.3508 -0.2428 -0.2423 0.7249 0.7381 0.9166 0.9246 1.8699 1.9013 2.2134 2.2161 3.5621 3.5750 3.8736 3.8931 4.2740 4.2782 k = 0.2246 0.2276 1.4735 ( 8144 PWs) bands (ev): -21.8896 -21.8896 -21.8892 -21.8892 -21.8741 -21.8741 -21.8737 -21.8737 -18.9213 -18.9212 -18.9194 -18.9192 -18.8953 -18.8951 -18.8940 -18.8937 -18.8903 -18.8902 -18.8891 -18.8891 -10.7390 -10.7388 -10.5912 -10.5910 -8.0411 -8.0409 -7.8887 -7.8883 -0.9780 -0.9717 -0.8115 -0.8095 -0.2355 -0.2294 -0.1356 -0.1352 0.7116 0.7285 0.9497 0.9612 1.8550 1.8861 2.1402 2.1455 3.4680 3.4784 3.7759 3.7960 4.2410 4.2448 k = 0.2319 0.1885 1.4735 ( 8136 PWs) bands (ev): -21.8896 -21.8895 -21.8893 -21.8893 -21.8741 -21.8740 -21.8737 -21.8737 -18.9212 -18.9210 -18.9196 -18.9193 -18.8951 -18.8949 -18.8941 -18.8938 -18.8902 -18.8901 -18.8893 -18.8892 -10.7391 -10.7389 -10.5994 -10.5992 -8.0436 -8.0434 -7.8996 -7.8992 -0.9657 -0.9608 -0.8010 -0.8003 -0.1136 -0.1056 -0.0260 -0.0237 0.6700 0.6903 0.9493 0.9655 1.8675 1.8964 2.0875 2.1029 3.3863 3.3931 3.6768 3.6969 4.2209 4.2244 k = 0.2391 0.1493 1.4735 ( 8138 PWs) bands (ev): -21.8895 -21.8895 -21.8893 -21.8893 -21.8740 -21.8740 -21.8737 -21.8737 -18.9210 -18.9209 -18.9197 -18.9195 -18.8950 -18.8948 -18.8941 -18.8939 -18.8901 -18.8900 -18.8894 -18.8894 -10.7382 -10.7380 -10.6067 -10.6065 -8.0446 -8.0443 -7.9091 -7.9087 -0.9565 -0.9525 -0.7963 -0.7961 0.0053 0.0157 0.0775 0.0837 0.6110 0.6358 0.9157 0.9375 1.8952 1.9209 2.0591 2.0855 3.3234 3.3254 3.5832 3.6025 4.2107 4.2135 k = 0.2464 0.1101 1.4735 ( 8138 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8893 -21.8740 -21.8740 -21.8738 -21.8738 -18.9209 -18.9207 -18.9199 -18.9197 -18.8949 -18.8946 -18.8942 -18.8940 -18.8900 -18.8899 -18.8895 -18.8895 -10.7361 -10.7360 -10.6130 -10.6129 -8.0440 -8.0438 -7.9172 -7.9168 -0.9492 -0.9460 -0.7959 -0.7950 0.1093 0.1234 0.1634 0.1756 0.5568 0.5882 0.8558 0.8836 1.9177 1.9426 2.0567 2.0906 3.2814 3.2851 3.5026 3.5202 4.2079 4.2100 k = 0.2536 0.0709 1.4735 ( 8132 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8894 -21.8740 -21.8739 -21.8738 -21.8738 -18.9207 -18.9205 -18.9200 -18.9198 -18.8948 -18.8945 -18.8943 -18.8940 -18.8898 -18.8898 -18.8896 -18.8896 -10.7330 -10.7329 -10.6184 -10.6183 -8.0418 -8.0416 -7.9237 -7.9234 -0.9434 -0.9409 -0.7980 -0.7965 0.1494 0.1678 0.2409 0.2575 0.5475 0.5829 0.7822 0.8167 1.9177 1.9480 2.0782 2.1116 3.2654 3.2751 3.4431 3.4576 4.2112 4.2124 k = 0.2609 0.0318 1.4735 ( 8136 PWs) bands (ev): -21.8895 -21.8894 -21.8894 -21.8894 -21.8739 -21.8739 -21.8738 -21.8738 -18.9206 -18.9204 -18.9202 -18.9200 -18.8947 -18.8945 -18.8943 -18.8941 -18.8898 -18.8898 -18.8897 -18.8896 -10.7288 -10.7287 -10.6228 -10.6228 -8.0381 -8.0378 -7.9289 -7.9285 -0.9388 -0.9369 -0.8021 -0.8002 0.1032 0.1189 0.3049 0.3257 0.6016 0.6333 0.7158 0.7568 1.8985 1.9361 2.1069 2.1351 3.2781 3.2935 3.4130 3.4229 4.2192 4.2194 k = 0.2681-0.0074 1.4735 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8894 -21.8739 -21.8739 -21.8739 -21.8738 -18.9205 -18.9203 -18.9202 -18.9200 -18.8948 -18.8945 -18.8943 -18.8941 -18.8899 -18.8899 -18.8895 -18.8895 -10.7235 -10.7234 -10.6263 -10.6263 -8.0327 -8.0324 -7.9326 -7.9322 -0.9357 -0.9343 -0.8082 -0.8057 0.0120 0.0236 0.3157 0.3350 0.6793 0.6961 0.7094 0.7333 1.8708 1.9140 2.1285 2.1503 3.3155 3.3354 3.4189 3.4235 4.2304 4.2313 k = 0.2754-0.0466 1.4735 ( 8133 PWs) bands (ev): -21.8895 -21.8895 -21.8893 -21.8893 -21.8739 -21.8739 -21.8738 -21.8738 -18.9205 -18.9204 -18.9201 -18.9199 -18.8949 -18.8946 -18.8942 -18.8940 -18.8901 -18.8900 -18.8894 -18.8893 -10.7171 -10.7170 -10.6289 -10.6289 -8.0258 -8.0255 -7.9348 -7.9345 -0.9342 -0.9335 -0.8163 -0.8133 -0.0975 -0.0888 0.2623 0.2734 0.7045 0.7376 0.7782 0.8002 1.8452 1.8912 2.1405 2.1560 3.3717 3.3923 3.4622 3.4639 4.2448 4.2468 k = 0.2826-0.0857 1.4735 ( 8141 PWs) bands (ev): -21.8895 -21.8895 -21.8893 -21.8893 -21.8740 -21.8739 -21.8738 -21.8738 -18.9207 -18.9205 -18.9200 -18.9198 -18.8950 -18.8947 -18.8942 -18.8940 -18.8902 -18.8901 -18.8893 -18.8892 -10.7096 -10.7095 -10.6306 -10.6305 -8.0172 -8.0169 -7.9357 -7.9354 -0.9354 -0.9353 -0.8270 -0.8232 -0.2129 -0.2066 0.1689 0.1733 0.7307 0.7564 0.8577 0.8752 1.8319 1.8774 2.1499 2.1598 3.4432 3.4603 3.5358 3.5383 4.2628 4.2657 k = 0.2899-0.1249 1.4735 ( 8135 PWs) bands (ev): -21.8896 -21.8895 -21.8892 -21.8892 -21.8740 -21.8740 -21.8738 -21.8738 -18.9208 -18.9207 -18.9198 -18.9196 -18.8952 -18.8949 -18.8941 -18.8939 -18.8903 -18.8902 -18.8892 -18.8891 -10.7010 -10.7009 -10.6314 -10.6312 -8.0071 -8.0067 -7.9352 -7.9349 -0.9418 -0.9410 -0.8408 -0.8363 -0.3273 -0.3233 0.0578 0.0587 0.7377 0.7566 0.9170 0.9307 1.8391 1.8809 2.1684 2.1741 3.5277 3.5409 3.6289 3.6326 4.2856 4.2891 k = 0.2971-0.1641 1.4735 ( 8129 PWs) bands (ev): -21.8896 -21.8895 -21.8892 -21.8892 -21.8740 -21.8740 -21.8738 -21.8737 -18.9209 -18.9208 -18.9196 -18.9194 -18.8953 -18.8951 -18.8941 -18.8939 -18.8904 -18.8903 -18.8890 -18.8890 -10.6913 -10.6912 -10.6313 -10.6311 -7.9954 -7.9950 -7.9333 -7.9330 -0.9565 -0.9544 -0.8586 -0.8532 -0.4348 -0.4334 -0.0596 -0.0594 0.7167 0.7293 0.9469 0.9572 1.8713 1.9071 2.2072 2.2101 3.6205 3.6314 3.7327 3.7366 4.3155 4.3193 k = 0.3043-0.2032 1.4735 ( 8137 PWs) bands (ev): -21.8896 -21.8896 -21.8891 -21.8891 -21.8741 -21.8740 -21.8737 -21.8737 -18.9211 -18.9210 -18.9195 -18.9192 -18.8955 -18.8953 -18.8941 -18.8939 -18.8904 -18.8904 -18.8889 -18.8888 -10.6806 -10.6805 -10.6304 -10.6302 -7.9821 -7.9817 -7.9301 -7.9299 -0.9856 -0.9816 -0.8810 -0.8743 -0.5308 -0.5290 -0.1763 -0.1760 0.6689 0.6758 0.9422 0.9498 1.9284 1.9575 2.2717 2.2729 3.7159 3.7255 3.8407 3.8444 4.3557 4.3597 k = 0.3116-0.2424 1.4735 ( 8143 PWs) bands (ev): -21.8896 -21.8896 -21.8891 -21.8891 -21.8741 -21.8741 -21.8737 -21.8737 -18.9212 -18.9211 -18.9193 -18.9190 -18.8957 -18.8955 -18.8941 -18.8939 -18.8904 -18.8904 -18.8888 -18.8887 -10.6689 -10.6687 -10.6287 -10.6284 -7.9674 -7.9670 -7.9256 -7.9254 -1.0360 -1.0298 -0.9090 -0.9001 -0.6092 -0.6041 -0.2879 -0.2858 0.5999 0.6022 0.9045 0.9101 2.0067 2.0301 2.3603 2.3603 3.8081 3.8168 3.9484 3.9518 4.4099 4.4141 k = 0.3188-0.2816 1.4735 ( 8137 PWs) bands (ev): -21.8896 -21.8896 -21.8890 -21.8890 -21.8742 -21.8741 -21.8737 -21.8737 -18.9213 -18.9213 -18.9191 -18.9188 -18.8960 -18.8957 -18.8941 -18.8940 -18.8904 -18.8903 -18.8887 -18.8886 -10.6562 -10.6560 -10.6263 -10.6260 -7.9511 -7.9507 -7.9200 -7.9197 -1.1098 -1.1017 -0.9461 -0.9339 -0.6656 -0.6582 -0.3890 -0.3840 0.5148 0.5160 0.8401 0.8446 2.1007 2.1198 2.4669 2.4679 3.8923 3.9000 4.0524 4.0563 4.4812 4.4859 k = 0.3261-0.3207 1.4735 ( 8135 PWs) bands (ev): -21.8896 -21.8896 -21.8889 -21.8889 -21.8742 -21.8742 -21.8737 -21.8736 -18.9215 -18.9214 -18.9189 -18.9186 -18.8963 -18.8960 -18.8942 -18.8940 -18.8903 -18.8903 -18.8885 -18.8884 -10.6426 -10.6423 -10.6231 -10.6228 -7.9334 -7.9330 -7.9131 -7.9129 -1.2020 -1.1928 -0.9976 -0.9814 -0.7027 -0.6951 -0.4741 -0.4663 0.4191 0.4228 0.7570 0.7608 2.2050 2.2210 2.5869 2.5888 3.9659 3.9723 4.1516 4.1569 4.5706 4.5763 k = 0.3333-0.3599 1.4735 ( 8135 PWs) bands (ev): -21.8896 -21.8896 -21.8889 -21.8889 -21.8743 -21.8742 -21.8736 -21.8736 -18.9216 -18.9215 -18.9187 -18.9184 -18.8966 -18.8964 -18.8943 -18.8941 -18.8902 -18.8901 -18.8884 -18.8883 -10.6280 -10.6277 -10.6194 -10.6190 -7.9143 -7.9139 -7.9052 -7.9049 -1.3052 -1.2956 -1.0669 -1.0469 -0.7268 -0.7208 -0.5395 -0.5301 0.3190 0.3245 0.6616 0.6651 2.3149 2.3290 2.7155 2.7183 4.0289 4.0337 4.2467 4.2539 4.6761 4.6830 k = 0.3406-0.3991 1.4735 ( 8142 PWs) bands (ev): -21.8896 -21.8896 -21.8888 -21.8888 -21.8743 -21.8743 -21.8736 -21.8736 -18.9217 -18.9217 -18.9185 -18.9182 -18.8969 -18.8967 -18.8944 -18.8943 -18.8900 -18.8900 -18.8882 -18.8881 -10.6151 -10.6147 -10.6126 -10.6123 -7.8962 -7.8960 -7.8939 -7.8934 -1.4139 -1.4042 -1.1529 -1.1306 -0.7435 -0.7404 -0.5854 -0.5766 0.2178 0.2244 0.5592 0.5625 2.4272 2.4400 2.8489 2.8526 4.0836 4.0869 4.3394 4.3485 4.7936 4.8019 k = 0.3478-0.4383 1.4735 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8888 -21.8887 -21.8744 -21.8743 -21.8736 -21.8736 -18.9219 -18.9218 -18.9183 -18.9180 -18.8973 -18.8971 -18.8945 -18.8944 -18.8899 -18.8898 -18.8880 -18.8880 -10.6102 -10.6098 -10.5965 -10.5961 -7.8863 -7.8860 -7.8722 -7.8718 -1.5246 -1.5150 -1.2513 -1.2281 -0.7582 -0.7575 -0.6159 -0.6095 0.1177 0.1251 0.4535 0.4568 2.5395 2.5514 2.9841 2.9886 4.1332 4.1352 4.4314 4.4422 4.9186 4.9281 k = 0.3551-0.4774 1.4735 ( 8156 PWs) bands (ev): -21.8896 -21.8896 -21.8887 -21.8887 -21.8744 -21.8743 -21.8736 -21.8735 -18.9220 -18.9220 -18.9181 -18.9179 -18.8977 -18.8975 -18.8946 -18.8945 -18.8897 -18.8896 -18.8879 -18.8878 -10.6049 -10.6045 -10.5796 -10.5792 -7.8755 -7.8753 -7.8493 -7.8489 -1.6352 -1.6258 -1.3577 -1.3345 -0.7769 -0.7723 -0.6359 -0.6333 0.0210 0.0289 0.3475 0.3508 2.6500 2.6614 3.1183 3.1239 4.1809 4.1818 4.5239 4.5360 5.0471 5.0577 k = 0.3623-0.5166 1.4735 ( 8142 PWs) bands (ev): -21.8896 -21.8896 -21.8886 -21.8886 -21.8745 -21.8744 -21.8735 -21.8735 -18.9221 -18.9221 -18.9179 -18.9177 -18.8981 -18.8979 -18.8948 -18.8947 -18.8894 -18.8894 -18.8877 -18.8876 -10.5993 -10.5988 -10.5621 -10.5617 -7.8639 -7.8637 -7.8253 -7.8249 -1.7442 -1.7350 -1.4683 -1.4457 -0.7986 -0.7901 -0.6518 -0.6504 -0.0704 -0.0620 0.2438 0.2472 2.7576 2.7687 3.2493 3.2559 4.2293 4.2294 4.6177 4.6307 5.1762 5.1877 k = 0.3696-0.5558 1.4735 ( 8147 PWs) bands (ev): -21.8896 -21.8896 -21.8886 -21.8886 -21.8745 -21.8744 -21.8735 -21.8735 -18.9223 -18.9223 -18.9177 -18.9175 -18.8985 -18.8984 -18.8949 -18.8948 -18.8892 -18.8891 -18.8875 -18.8874 -10.5934 -10.5929 -10.5441 -10.5436 -7.8516 -7.8514 -7.8003 -7.7999 -1.8509 -1.8419 -1.5806 -1.5589 -0.8247 -0.8129 -0.6688 -0.6633 -0.1544 -0.1455 0.1448 0.1483 2.8614 2.8723 3.3747 3.3823 4.2801 4.2809 4.7131 4.7268 5.3032 5.3155 k = 0.3768-0.5949 1.4735 ( 8153 PWs) bands (ev): -21.8896 -21.8896 -21.8885 -21.8885 -21.8745 -21.8745 -21.8735 -21.8735 -18.9225 -18.9224 -18.9175 -18.9173 -18.8990 -18.8988 -18.8951 -18.8950 -18.8889 -18.8889 -18.8873 -18.8872 -10.5873 -10.5868 -10.5255 -10.5251 -7.8388 -7.8386 -7.7744 -7.7740 -1.9544 -1.9457 -1.6930 -1.6723 -0.8565 -0.8420 -0.6879 -0.6786 -0.2291 -0.2192 0.0528 0.0567 2.9609 2.9717 3.4922 3.5007 4.3361 4.3376 4.8101 4.8242 5.4260 5.4388 k = 0.3841-0.6341 1.4735 ( 8157 PWs) bands (ev): -21.8896 -21.8896 -21.8884 -21.8884 -21.8746 -21.8745 -21.8735 -21.8735 -18.9226 -18.9226 -18.9173 -18.9171 -18.8994 -18.8993 -18.8953 -18.8952 -18.8887 -18.8886 -18.8870 -18.8870 -10.5811 -10.5807 -10.5066 -10.5061 -7.8255 -7.8253 -7.7476 -7.7472 -2.0544 -2.0460 -1.8043 -1.7847 -0.8944 -0.8780 -0.7129 -0.7003 -0.2922 -0.2812 -0.0297 -0.0255 3.0557 3.0666 3.5996 3.6091 4.3990 4.4011 4.9085 4.9228 5.5425 5.5557 k = 0.3913-0.6733 1.4735 ( 8159 PWs) bands (ev): -21.8896 -21.8896 -21.8884 -21.8884 -21.8746 -21.8746 -21.8735 -21.8734 -18.9228 -18.9228 -18.9172 -18.9170 -18.8999 -18.8998 -18.8954 -18.8953 -18.8884 -18.8884 -18.8868 -18.8868 -10.5749 -10.5745 -10.4873 -10.4869 -7.8119 -7.8117 -7.7202 -7.7198 -2.1504 -2.1423 -1.9137 -1.8952 -0.9386 -0.9210 -0.7470 -0.7320 -0.3421 -0.3300 -0.1007 -0.0960 3.1458 3.1567 3.6954 3.7058 4.4698 4.4723 5.0076 5.0220 5.6510 5.6643 k = 0.3986-0.7124 1.4735 ( 8157 PWs) bands (ev): -21.8896 -21.8896 -21.8883 -21.8883 -21.8747 -21.8746 -21.8735 -21.8734 -18.9229 -18.9229 -18.9170 -18.9168 -18.9003 -18.9003 -18.8956 -18.8955 -18.8881 -18.8881 -18.8866 -18.8865 -10.5688 -10.5683 -10.4679 -10.4674 -7.7980 -7.7979 -7.6922 -7.6918 -2.2422 -2.2344 -2.0206 -2.0033 -0.9884 -0.9704 -0.7920 -0.7758 -0.3785 -0.3661 -0.1586 -0.1534 3.2312 3.2420 3.7788 3.7898 4.5488 4.5513 5.1066 5.1209 5.7498 5.7630 k = 0.4058-0.7516 1.4735 ( 8151 PWs) bands (ev): -21.8896 -21.8896 -21.8883 -21.8883 -21.8747 -21.8746 -21.8734 -21.8734 -18.9231 -18.9231 -18.9168 -18.9167 -18.9008 -18.9007 -18.8957 -18.8957 -18.8879 -18.8878 -18.8863 -18.8863 -10.5629 -10.5624 -10.4483 -10.4479 -7.7841 -7.7839 -7.6638 -7.6634 -2.3294 -2.3220 -2.1244 -2.1083 -1.0424 -1.0246 -0.8474 -0.8315 -0.4034 -0.3914 -0.2028 -0.1974 3.3118 3.3227 3.8499 3.8614 4.6348 4.6372 5.2045 5.2187 5.8374 5.8502 k = 0.4130-0.7908 1.4735 ( 8153 PWs) bands (ev): -21.8896 -21.8896 -21.8882 -21.8882 -21.8748 -21.8747 -21.8734 -21.8734 -18.9232 -18.9232 -18.9167 -18.9165 -18.9012 -18.9012 -18.8959 -18.8958 -18.8876 -18.8876 -18.8861 -18.8861 -10.5572 -10.5567 -10.4288 -10.4283 -7.7702 -7.7701 -7.6351 -7.6347 -2.4117 -2.4047 -2.2249 -2.2100 -1.0989 -1.0819 -0.9113 -0.8963 -0.4199 -0.4091 -0.2339 -0.2288 3.3879 3.3989 3.9099 3.9217 4.7260 4.7282 5.3002 5.3140 5.9128 5.9250 k = 0.4203-0.8300 1.4735 ( 8157 PWs) bands (ev): -21.8896 -21.8895 -21.8882 -21.8882 -21.8748 -21.8747 -21.8734 -21.8734 -18.9234 -18.9234 -18.9165 -18.9164 -18.9017 -18.9016 -18.8961 -18.8960 -18.8873 -18.8873 -18.8859 -18.8859 -10.5519 -10.5514 -10.4094 -10.4089 -7.7566 -7.7564 -7.6063 -7.6059 -2.4891 -2.4824 -2.3216 -2.3079 -1.1563 -1.1403 -0.9808 -0.9672 -0.4311 -0.4220 -0.2535 -0.2489 3.4596 3.4706 3.9603 3.9722 4.8201 4.8219 5.3924 5.4056 5.9756 5.9868 k = 0.4275-0.8691 1.4735 ( 8142 PWs) bands (ev): -21.8896 -21.8895 -21.8881 -21.8881 -21.8748 -21.8748 -21.8734 -21.8733 -18.9236 -18.9235 -18.9164 -18.9163 -18.9021 -18.9021 -18.8962 -18.8961 -18.8871 -18.8871 -18.8856 -18.8856 -10.5470 -10.5466 -10.3901 -10.3897 -7.7432 -7.7431 -7.5775 -7.5772 -2.5611 -2.5549 -2.4141 -2.4018 -1.2131 -1.1983 -1.0533 -1.0411 -0.4395 -0.4322 -0.2636 -0.2598 3.5271 3.5381 4.0027 4.0146 4.9148 4.9162 5.4797 5.4923 6.0261 6.0361 k = 0.4348-0.9083 1.4735 ( 8138 PWs) bands (ev): -21.8896 -21.8895 -21.8881 -21.8881 -21.8749 -21.8748 -21.8734 -21.8733 -18.9237 -18.9237 -18.9162 -18.9161 -18.9025 -18.9025 -18.8963 -18.8963 -18.8868 -18.8868 -18.8854 -18.8854 -10.5427 -10.5423 -10.3713 -10.3709 -7.7304 -7.7302 -7.5490 -7.5487 -2.6278 -2.6220 -2.5024 -2.4913 -1.2680 -1.2546 -1.1265 -1.1157 -0.4464 -0.4406 -0.2664 -0.2634 3.5904 3.6013 4.0384 4.0503 5.0079 5.0089 5.5609 5.5727 6.0655 6.0741 k = 0.4420-0.9475 1.4735 ( 8137 PWs) bands (ev): -21.8896 -21.8895 -21.8880 -21.8880 -21.8749 -21.8748 -21.8733 -21.8733 -18.9239 -18.9239 -18.9161 -18.9160 -18.9029 -18.9029 -18.8965 -18.8964 -18.8866 -18.8866 -18.8852 -18.8852 -10.5389 -10.5386 -10.3528 -10.3524 -7.7182 -7.7180 -7.5208 -7.5206 -2.6887 -2.6835 -2.5859 -2.5761 -1.3201 -1.3082 -1.1986 -1.1891 -0.4525 -0.4481 -0.2637 -0.2615 3.6495 3.6603 4.0686 4.0804 5.0978 5.0985 5.6344 5.6452 6.0957 6.1027 k = 0.4493-0.9866 1.4735 ( 8129 PWs) bands (ev): -21.8896 -21.8895 -21.8880 -21.8880 -21.8749 -21.8749 -21.8733 -21.8733 -18.9240 -18.9240 -18.9160 -18.9159 -18.9033 -18.9033 -18.8966 -18.8965 -18.8864 -18.8864 -18.8850 -18.8850 -10.5359 -10.5356 -10.3349 -10.3346 -7.7068 -7.7066 -7.4933 -7.4931 -2.7439 -2.7393 -2.6646 -2.6561 -1.3689 -1.3584 -1.2681 -1.2598 -0.4582 -0.4549 -0.2572 -0.2556 3.7044 3.7150 4.0943 4.1058 5.1832 5.1836 5.6989 5.7085 6.1191 6.1245 k = 0.4565-1.0258 1.4735 ( 8123 PWs) bands (ev): -21.8896 -21.8895 -21.8880 -21.8879 -21.8749 -21.8749 -21.8733 -21.8733 -18.9242 -18.9241 -18.9159 -18.9158 -18.9036 -18.9036 -18.8967 -18.8966 -18.8862 -18.8862 -18.8848 -18.8848 -10.5337 -10.5334 -10.3177 -10.3174 -7.6963 -7.6962 -7.4666 -7.4664 -2.7932 -2.7892 -2.7381 -2.7309 -1.4140 -1.4053 -1.3335 -1.3266 -0.4637 -0.4613 -0.2482 -0.2470 3.7551 3.7652 4.1161 4.1272 5.2631 5.2633 5.7532 5.7614 6.1384 6.1421 k = 0.4638-1.0650 1.4735 ( 8135 PWs) bands (ev): -21.8896 -21.8895 -21.8879 -21.8879 -21.8750 -21.8749 -21.8733 -21.8733 -18.9243 -18.9243 -18.9158 -18.9158 -18.9039 -18.9039 -18.8968 -18.8967 -18.8860 -18.8860 -18.8846 -18.8846 -10.5323 -10.5321 -10.3012 -10.3010 -7.6870 -7.6869 -7.4408 -7.4407 -2.8364 -2.8332 -2.8059 -2.8003 -1.4559 -1.4492 -1.3929 -1.3877 -0.4692 -0.4675 -0.2374 -0.2366 3.8010 3.8106 4.1348 4.1453 5.3368 5.3369 5.7962 5.8029 6.1557 6.1579 k = 0.4710-1.1041 1.4735 ( 8133 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8749 -21.8733 -21.8732 -18.9244 -18.9244 -18.9157 -18.9157 -18.9042 -18.9042 -18.8969 -18.8968 -18.8858 -18.8858 -18.8844 -18.8844 -10.5319 -10.5317 -10.2856 -10.2854 -7.6789 -7.6788 -7.4162 -7.4161 -2.8739 -2.8739 -2.8653 -2.8634 -1.4962 -1.4922 -1.4435 -1.4407 -0.4747 -0.4735 -0.2255 -0.2250 3.8420 3.8506 4.1511 4.1605 5.4038 5.4039 5.8277 5.8330 6.1728 6.1736 k = 0.4783-1.1433 1.4735 ( 8134 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9245 -18.9245 -18.9157 -18.9156 -18.9045 -18.9045 -18.8969 -18.8969 -18.8857 -18.8857 -18.8843 -18.8843 -10.5324 -10.5322 -10.2710 -10.2709 -7.6721 -7.6720 -7.3930 -7.3929 -2.9267 -2.9229 -2.9029 -2.9004 -1.5373 -1.5361 -1.4827 -1.4823 -0.4805 -0.4797 -0.2131 -0.2127 3.8773 3.8845 4.1658 4.1736 5.4637 5.4638 5.8486 5.8524 6.1900 6.1901 k = 0.4855-1.1825 1.4735 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9247 -18.9246 -18.9156 -18.9156 -18.9047 -18.9047 -18.8970 -18.8970 -18.8856 -18.8856 -18.8842 -18.8842 -10.5339 -10.5338 -10.2575 -10.2573 -7.6669 -7.6668 -7.3714 -7.3713 -2.9771 -2.9746 -2.9273 -2.9256 -1.5795 -1.5793 -1.5117 -1.5110 -0.4865 -0.4860 -0.2005 -0.2003 3.9064 3.9116 4.1794 4.1852 5.5159 5.5161 5.8608 5.8632 6.2068 6.2074 k = 0.4928-1.2217 1.4735 ( 8144 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9247 -18.9247 -18.9156 -18.9155 -18.9048 -18.9048 -18.8970 -18.8970 -18.8855 -18.8855 -18.8841 -18.8840 -10.5364 -10.5364 -10.2450 -10.2450 -7.6632 -7.6632 -7.3515 -7.3514 -3.0215 -3.0203 -2.9448 -2.9440 -1.6198 -1.6194 -1.5314 -1.5308 -0.4929 -0.4927 -0.1880 -0.1879 3.9284 3.9312 4.1929 4.1959 5.5596 5.5598 5.8669 5.8681 6.2231 6.2237 k = 0.5000-1.2608 1.4735 ( 8146 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9248 -18.9248 -18.9155 -18.9155 -18.9050 -18.9050 -18.8970 -18.8970 -18.8854 -18.8854 -18.8840 -18.8840 -10.5401 -10.5401 -10.2338 -10.2338 -7.6613 -7.6613 -7.3334 -7.3334 -3.0596 -3.0596 -2.9558 -2.9558 -1.6552 -1.6552 -1.5434 -1.5434 -0.4996 -0.4996 -0.1758 -0.1758 3.9428 3.9428 4.2064 4.2064 5.5936 5.5936 5.8701 5.8702 6.2383 6.2383 k = 0.5000-1.2608 1.4735 ( 8146 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9248 -18.9248 -18.9155 -18.9155 -18.9050 -18.9050 -18.8970 -18.8970 -18.8854 -18.8854 -18.8840 -18.8840 -10.5401 -10.5401 -10.2338 -10.2338 -7.6613 -7.6613 -7.3334 -7.3334 -3.0596 -3.0596 -2.9558 -2.9558 -1.6552 -1.6552 -1.5434 -1.5434 -0.4996 -0.4996 -0.1758 -0.1758 3.9428 3.9428 4.2064 4.2064 5.5936 5.5936 5.8701 5.8702 6.2383 6.2383 k = 0.5000-1.2848 1.4490 ( 8146 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9051 -18.9051 -18.8971 -18.8971 -18.8853 -18.8853 -18.8839 -18.8839 -10.5448 -10.5448 -10.2219 -10.2219 -7.6600 -7.6600 -7.3141 -7.3141 -3.0997 -3.0997 -2.9649 -2.9649 -1.6929 -1.6929 -1.5530 -1.5530 -0.5075 -0.5075 -0.1622 -0.1622 3.9521 3.9521 4.2208 4.2208 5.6265 5.6265 5.8722 5.8722 6.2543 6.2543 k = 0.5000-1.3088 1.4245 ( 8134 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9155 -18.9155 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5485 -10.5485 -10.2126 -10.2126 -7.6588 -7.6588 -7.2987 -7.2987 -3.1312 -3.1312 -2.9720 -2.9720 -1.7228 -1.7228 -1.5603 -1.5603 -0.5137 -0.5136 -0.1514 -0.1514 3.9581 3.9581 4.2332 4.2332 5.6533 5.6533 5.8728 5.8728 6.2677 6.2677 k = 0.5000-1.3327 1.4000 ( 8138 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5512 -10.5512 -10.2059 -10.2059 -7.6578 -7.6578 -7.2876 -7.2876 -3.1538 -3.1538 -2.9771 -2.9771 -1.7445 -1.7445 -1.5654 -1.5654 -0.5181 -0.5181 -0.1436 -0.1436 3.9619 3.9619 4.2426 4.2426 5.6733 5.6733 5.8726 5.8726 6.2791 6.2791 k = 0.5000-1.3567 1.3755 ( 8120 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5528 -10.5528 -10.2019 -10.2019 -7.6571 -7.6571 -7.2809 -7.2809 -3.1675 -3.1675 -2.9802 -2.9802 -1.7576 -1.7576 -1.5684 -1.5684 -0.5207 -0.5207 -0.1388 -0.1388 3.9639 3.9639 4.2485 4.2485 5.6857 5.6857 5.8722 5.8722 6.2887 6.2887 k = 0.5000-1.3807 1.3510 ( 8128 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5216 -0.5216 -0.1372 -0.1372 3.9646 3.9646 4.2505 4.2505 5.6900 5.6900 5.8720 5.8720 6.2939 6.2939 k = 1.0000-1.2882 1.2605 ( 8164 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5533 -10.5533 -10.2006 -10.2006 -7.6569 -7.6569 -7.2786 -7.2786 -3.1720 -3.1720 -2.9812 -2.9812 -1.7620 -1.7620 -1.5694 -1.5694 -0.5214 -0.5214 -0.1374 -0.1374 3.9588 3.9588 4.2548 4.2548 5.6909 5.6909 5.8819 5.8819 6.2820 6.2820 k = 1.0000-1.2725 1.2765 ( 8160 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9054 -18.9054 -18.8971 -18.8971 -18.8852 -18.8852 -18.8837 -18.8837 -10.5531 -10.5531 -10.2012 -10.2012 -7.6570 -7.6570 -7.2796 -7.2796 -3.1701 -3.1701 -2.9808 -2.9808 -1.7601 -1.7601 -1.5690 -1.5690 -0.5210 -0.5210 -0.1381 -0.1381 3.9585 3.9585 4.2540 4.2540 5.6892 5.6892 5.8819 5.8819 6.2815 6.2815 k = 1.0000-1.2569 1.2925 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5524 -10.5524 -10.2029 -10.2029 -7.6573 -7.6573 -7.2824 -7.2824 -3.1643 -3.1643 -2.9795 -2.9795 -1.7545 -1.7545 -1.5677 -1.5677 -0.5199 -0.5199 -0.1402 -0.1402 3.9577 3.9577 4.2514 4.2514 5.6839 5.6839 5.8819 5.8819 6.2800 6.2800 k = 0.0000 1.4419 1.4735 ( 8152 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5524 -10.5524 -10.2029 -10.2029 -7.6573 -7.6573 -7.2824 -7.2824 -3.1643 -3.1643 -2.9795 -2.9795 -1.7545 -1.7545 -1.5677 -1.5677 -0.5199 -0.5199 -0.1402 -0.1402 3.9577 3.9577 4.2514 4.2514 5.6839 5.6839 5.8819 5.8819 6.2800 6.2800 k = 0.0357 1.4422 1.4606 ( 8156 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5520 -10.5520 -10.2039 -10.2039 -7.6575 -7.6575 -7.2841 -7.2841 -3.1608 -3.1608 -2.9787 -2.9787 -1.7512 -1.7512 -1.5670 -1.5670 -0.5192 -0.5192 -0.1414 -0.1414 3.9573 3.9574 4.2499 4.2499 5.6808 5.6808 5.8818 5.8818 6.2785 6.2797 k = 0.0714 1.4425 1.4477 ( 8153 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9251 -18.9251 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5515 -10.5515 -10.2051 -10.2051 -7.6577 -7.6577 -7.2862 -7.2862 -3.1567 -3.1567 -2.9778 -2.9778 -1.7473 -1.7473 -1.5660 -1.5660 -0.5184 -0.5184 -0.1428 -0.1428 3.9569 3.9570 4.2479 4.2480 5.6771 5.6772 5.8814 5.8815 6.2771 6.2792 k = 0.1071 1.4427 1.4348 ( 8156 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8852 -18.8852 -18.8838 -18.8838 -10.5509 -10.5509 -10.2065 -10.2065 -7.6579 -7.6579 -7.2885 -7.2885 -3.1520 -3.1520 -2.9767 -2.9767 -1.7427 -1.7427 -1.5650 -1.5650 -0.5175 -0.5175 -0.1444 -0.1444 3.9565 3.9567 4.2456 4.2458 5.6728 5.6729 5.8808 5.8809 6.2755 6.2783 k = 0.1429 1.4430 1.4218 ( 8164 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5503 -10.5503 -10.2080 -10.2080 -7.6581 -7.6581 -7.2911 -7.2911 -3.1467 -3.1467 -2.9755 -2.9755 -1.7376 -1.7376 -1.5638 -1.5638 -0.5165 -0.5165 -0.1462 -0.1462 3.9562 3.9563 4.2430 4.2432 5.6680 5.6681 5.8800 5.8802 6.2737 6.2768 k = 0.1786 1.4433 1.4089 ( 8166 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9053 -18.9053 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5496 -10.5496 -10.2098 -10.2098 -7.6584 -7.6584 -7.2940 -7.2940 -3.1407 -3.1407 -2.9741 -2.9741 -1.7319 -1.7319 -1.5625 -1.5625 -0.5154 -0.5154 -0.1483 -0.1483 3.9557 3.9559 4.2400 4.2403 5.6626 5.6628 5.8791 5.8793 6.2715 6.2748 k = 0.2143 1.4436 1.3960 ( 8160 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9154 -18.9154 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5488 -10.5488 -10.2117 -10.2117 -7.6586 -7.6586 -7.2973 -7.2973 -3.1342 -3.1342 -2.9727 -2.9727 -1.7256 -1.7256 -1.5610 -1.5610 -0.5141 -0.5141 -0.1506 -0.1505 3.9552 3.9554 4.2369 4.2372 5.6567 5.6569 5.8780 5.8782 6.2690 6.2721 k = 0.2500 1.4439 1.3830 ( 8159 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9155 -18.9155 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5480 -10.5480 -10.2138 -10.2138 -7.6589 -7.6589 -7.3008 -7.3008 -3.1270 -3.1270 -2.9710 -2.9710 -1.7188 -1.7188 -1.5593 -1.5593 -0.5127 -0.5127 -0.1530 -0.1530 3.9546 3.9548 4.2334 4.2338 5.6503 5.6505 5.8769 5.8771 6.2661 6.2689 k = 0.2857 1.4441 1.3701 ( 8157 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9250 -18.9250 -18.9155 -18.9155 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8838 -18.8838 -10.5471 -10.5471 -10.2162 -10.2162 -7.6592 -7.6592 -7.3046 -7.3046 -3.1192 -3.1192 -2.9693 -2.9693 -1.7113 -1.7113 -1.5576 -1.5576 -0.5112 -0.5112 -0.1557 -0.1557 3.9538 3.9540 4.2298 4.2301 5.6435 5.6437 5.8758 5.8760 6.2629 6.2653 k = 0.3214 1.4444 1.3572 ( 8154 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8751 -21.8751 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9052 -18.9052 -18.8971 -18.8971 -18.8853 -18.8853 -18.8839 -18.8839 -10.5461 -10.5461 -10.2186 -10.2186 -7.6596 -7.6596 -7.3087 -7.3087 -3.1107 -3.1107 -2.9674 -2.9674 -1.7033 -1.7033 -1.5556 -1.5556 -0.5096 -0.5096 -0.1585 -0.1585 3.9527 3.9529 4.2261 4.2264 5.6362 5.6364 5.8747 5.8749 6.2593 6.2612 k = 0.3571 1.4447 1.3442 ( 8151 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9051 -18.9051 -18.8971 -18.8971 -18.8853 -18.8853 -18.8839 -18.8839 -10.5450 -10.5450 -10.2213 -10.2213 -7.6599 -7.6599 -7.3131 -7.3131 -3.1017 -3.1017 -2.9653 -2.9653 -1.6948 -1.6948 -1.5535 -1.5535 -0.5078 -0.5078 -0.1616 -0.1616 3.9514 3.9516 4.2222 4.2225 5.6284 5.6286 5.8736 5.8738 6.2554 6.2569 k = 0.3929 1.4450 1.3313 ( 8153 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9051 -18.9051 -18.8971 -18.8971 -18.8854 -18.8854 -18.8839 -18.8839 -10.5439 -10.5439 -10.2242 -10.2242 -7.6602 -7.6602 -7.3178 -7.3178 -3.0921 -3.0921 -2.9631 -2.9631 -1.6857 -1.6857 -1.5513 -1.5512 -0.5060 -0.5060 -0.1649 -0.1649 3.9498 3.9500 4.2183 4.2185 5.6203 5.6204 5.8726 5.8728 6.2513 6.2523 k = 0.4286 1.4453 1.3184 ( 8150 PWs) bands (ev): -21.8896 -21.8896 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9051 -18.9051 -18.8971 -18.8971 -18.8854 -18.8854 -18.8839 -18.8839 -10.5427 -10.5427 -10.2272 -10.2272 -7.6606 -7.6606 -7.3227 -7.3227 -3.0819 -3.0819 -2.9608 -2.9608 -1.6760 -1.6760 -1.5488 -1.5488 -0.5040 -0.5040 -0.1683 -0.1683 3.9479 3.9480 4.2143 4.2145 5.6117 5.6118 5.8717 5.8718 6.2471 6.2477 k = 0.4643 1.4455 1.3055 ( 8148 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9249 -18.9249 -18.9155 -18.9155 -18.9050 -18.9050 -18.8971 -18.8970 -18.8854 -18.8854 -18.8839 -18.8839 -10.5414 -10.5414 -10.2304 -10.2304 -7.6609 -7.6609 -7.3279 -7.3279 -3.0710 -3.0710 -2.9584 -2.9584 -1.6659 -1.6659 -1.5462 -1.5462 -0.5018 -0.5018 -0.1720 -0.1720 3.9455 3.9456 4.2103 4.2104 5.6029 5.6029 5.8709 5.8710 6.2427 6.2430 k = 0.5000 1.4458 1.2925 ( 8146 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9248 -18.9248 -18.9155 -18.9155 -18.9050 -18.9050 -18.8970 -18.8970 -18.8854 -18.8854 -18.8840 -18.8840 -10.5401 -10.5401 -10.2338 -10.2338 -7.6613 -7.6613 -7.3334 -7.3334 -3.0596 -3.0596 -2.9558 -2.9558 -1.6552 -1.6552 -1.5434 -1.5434 -0.4996 -0.4996 -0.1758 -0.1758 3.9428 3.9428 4.2064 4.2064 5.5936 5.5936 5.8701 5.8702 6.2383 6.2383 k = 0.5000 1.4458 1.2925 ( 8146 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9248 -18.9248 -18.9155 -18.9155 -18.9050 -18.9050 -18.8970 -18.8970 -18.8854 -18.8854 -18.8840 -18.8840 -10.5401 -10.5401 -10.2338 -10.2338 -7.6613 -7.6613 -7.3334 -7.3334 -3.0596 -3.0596 -2.9558 -2.9558 -1.6552 -1.6552 -1.5434 -1.5434 -0.4996 -0.4996 -0.1758 -0.1758 3.9428 3.9428 4.2064 4.2064 5.5936 5.5936 5.8701 5.8702 6.2383 6.2383 k = 0.5000 1.4182 1.2643 ( 8144 PWs) bands (ev): -21.8895 -21.8895 -21.8878 -21.8878 -21.8750 -21.8750 -21.8732 -21.8732 -18.9247 -18.9247 -18.9156 -18.9156 -18.9048 -18.9048 -18.8970 -18.8970 -18.8855 -18.8855 -18.8841 -18.8841 -10.5334 -10.5334 -10.2507 -10.2507 -7.6627 -7.6627 -7.3604 -7.3604 -3.0031 -3.0031 -2.9429 -2.9429 -1.6037 -1.6037 -1.5283 -1.5283 -0.4884 -0.4884 -0.1945 -0.1945 3.9266 3.9267 4.1889 4.1889 5.5491 5.5491 5.8652 5.8652 6.2165 6.2166 k = 0.5000 1.3906 1.2361 ( 8152 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8732 -21.8732 -18.9246 -18.9246 -18.9156 -18.9156 -18.9046 -18.9046 -18.8970 -18.8970 -18.8856 -18.8856 -18.8842 -18.8842 -10.5254 -10.5254 -10.2710 -10.2710 -7.6637 -7.6637 -7.3919 -7.3919 -2.9369 -2.9369 -2.9263 -2.9263 -1.5501 -1.5501 -1.5030 -1.5030 -0.4750 -0.4750 -0.2159 -0.2159 3.9027 3.9027 4.1724 4.1724 5.4981 5.4981 5.8560 5.8560 6.1919 6.1919 k = 0.5000 1.3630 1.2078 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8750 -21.8750 -21.8733 -21.8733 -18.9244 -18.9244 -18.9157 -18.9157 -18.9043 -18.9043 -18.8969 -18.8969 -18.8858 -18.8858 -18.8844 -18.8844 -10.5161 -10.5161 -10.2945 -10.2945 -7.6640 -7.6640 -7.4274 -7.4274 -2.9103 -2.9103 -2.8576 -2.8576 -1.5134 -1.5134 -1.4494 -1.4494 -0.4596 -0.4596 -0.2391 -0.2391 3.8690 3.8691 4.1586 4.1587 5.4409 5.4409 5.8409 5.8409 6.1660 6.1660 k = 0.5000 1.3353 1.1796 ( 8138 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8749 -21.8749 -21.8733 -21.8733 -18.9242 -18.9242 -18.9158 -18.9158 -18.9040 -18.9040 -18.8969 -18.8969 -18.8859 -18.8859 -18.8846 -18.8846 -10.5057 -10.5057 -10.3212 -10.3212 -7.6632 -7.6632 -7.4664 -7.4664 -2.8900 -2.8900 -2.7705 -2.7705 -1.4885 -1.4885 -1.3739 -1.3739 -0.4426 -0.4426 -0.2628 -0.2628 3.8249 3.8250 4.1485 4.1485 5.3778 5.3778 5.8178 5.8178 6.1413 6.1413 k = 0.5000 1.3077 1.1514 ( 8140 PWs) bands (ev): -21.8895 -21.8895 -21.8879 -21.8879 -21.8749 -21.8749 -21.8733 -21.8733 -18.9240 -18.9240 -18.9159 -18.9159 -18.9036 -18.9036 -18.8968 -18.8968 -18.8861 -18.8861 -18.8848 -18.8848 -10.4941 -10.4941 -10.3509 -10.3509 -7.6611 -7.6611 -7.5084 -7.5084 -2.8676 -2.8676 -2.6743 -2.6743 -1.4640 -1.4640 -1.2893 -1.2893 -0.4252 -0.4252 -0.2845 -0.2845 3.7705 3.7705 4.1415 4.1416 5.3089 5.3089 5.7853 5.7853 6.1205 6.1205 k = 0.5000 1.2801 1.1232 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8880 -21.8748 -21.8748 -21.8734 -21.8734 -18.9237 -18.9237 -18.9160 -18.9160 -18.9032 -18.9032 -18.8967 -18.8967 -18.8863 -18.8863 -18.8850 -18.8850 -10.4815 -10.4815 -10.3835 -10.3835 -7.6573 -7.6573 -7.5526 -7.5526 -2.8430 -2.8430 -2.5697 -2.5697 -1.4377 -1.4377 -1.2003 -1.2003 -0.4099 -0.4099 -0.2994 -0.2994 3.7064 3.7064 4.1366 4.1366 5.2345 5.2345 5.7433 5.7433 6.1048 6.1048 k = 0.5000 1.2525 1.0949 ( 8148 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8880 -21.8748 -21.8748 -21.8734 -21.8734 -18.9235 -18.9235 -18.9162 -18.9162 -18.9028 -18.9028 -18.8967 -18.8967 -18.8865 -18.8865 -18.8852 -18.8852 -10.4680 -10.4680 -10.4188 -10.4188 -7.6515 -7.6515 -7.5986 -7.5986 -2.8162 -2.8162 -2.4574 -2.4574 -1.4089 -1.4089 -1.1109 -1.1109 -0.4017 -0.4017 -0.2998 -0.2998 3.6337 3.6337 4.1320 4.1321 5.1552 5.1552 5.6933 5.6934 6.0941 6.0941 k = 0.5000 1.2249 1.0667 ( 8160 PWs) bands (ev): -21.8895 -21.8895 -21.8880 -21.8880 -21.8748 -21.8748 -21.8734 -21.8734 -18.9232 -18.9232 -18.9163 -18.9163 -18.9024 -18.9024 -18.8966 -18.8966 -18.8867 -18.8867 -18.8855 -18.8855 -10.4567 -10.4567 -10.4535 -10.4535 -7.6459 -7.6459 -7.6435 -7.6435 -2.7873 -2.7873 -2.3383 -2.3383 -1.3771 -1.3771 -1.0265 -1.0265 -0.4001 -0.4001 -0.2808 -0.2808 3.5532 3.5532 4.1258 4.1258 5.0724 5.0724 5.6377 5.6377 6.0864 6.0864 k = 0.5000 1.1973 1.0385 ( 8162 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8881 -21.8747 -21.8747 -21.8735 -21.8735 -18.9230 -18.9230 -18.9165 -18.9165 -18.9019 -18.9019 -18.8965 -18.8965 -18.8870 -18.8870 -18.8857 -18.8857 -10.4967 -10.4967 -10.4385 -10.4385 -7.6936 -7.6936 -7.6332 -7.6332 -2.7564 -2.7564 -2.2133 -2.2133 -1.3421 -1.3421 -0.9546 -0.9546 -0.3956 -0.3956 -0.2452 -0.2451 3.4656 3.4656 4.1152 4.1153 4.9884 4.9884 5.5785 5.5785 6.0744 6.0744 k = 0.5000 1.1696 1.0103 ( 8162 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8881 -21.8747 -21.8747 -21.8735 -21.8735 -18.9227 -18.9227 -18.9167 -18.9167 -18.9014 -18.9014 -18.8965 -18.8965 -18.8873 -18.8872 -18.8860 -18.8860 -10.5388 -10.5388 -10.4229 -10.4229 -7.7415 -7.7415 -7.6203 -7.6203 -2.7235 -2.7235 -2.0836 -2.0836 -1.3032 -1.3032 -0.9039 -0.9039 -0.3785 -0.3785 -0.1941 -0.1941 3.3715 3.3715 4.0974 4.0974 4.9064 4.9064 5.5171 5.5171 6.0168 6.0168 k = 0.5000 1.1420 0.9820 ( 8154 PWs) bands (ev): -21.8895 -21.8895 -21.8881 -21.8881 -21.8746 -21.8746 -21.8736 -21.8736 -18.9224 -18.9224 -18.9169 -18.9169 -18.9009 -18.9009 -18.8964 -18.8964 -18.8875 -18.8875 -18.8863 -18.8863 -10.5828 -10.5828 -10.4068 -10.4068 -7.7889 -7.7889 -7.6048 -7.6048 -2.6886 -2.6886 -1.9508 -1.9508 -1.2599 -1.2599 -0.8792 -0.8792 -0.3467 -0.3467 -0.1255 -0.1255 3.2715 3.2715 4.0687 4.0687 4.8306 4.8306 5.4541 5.4541 5.9016 5.9016 k = 0.5000 1.1144 0.9538 ( 8152 PWs) bands (ev): -21.8895 -21.8895 -21.8882 -21.8882 -21.8746 -21.8746 -21.8736 -21.8736 -18.9221 -18.9221 -18.9171 -18.9171 -18.9004 -18.9004 -18.8963 -18.8963 -18.8878 -18.8878 -18.8866 -18.8866 -10.6284 -10.6284 -10.3904 -10.3904 -7.8354 -7.8354 -7.5864 -7.5864 -2.6519 -2.6519 -1.8170 -1.8170 -1.2108 -1.2108 -0.8779 -0.8779 -0.3050 -0.3050 -0.0369 -0.0369 3.1662 3.1662 4.0257 4.0257 4.7648 4.7648 5.3886 5.3886 5.7721 5.7721 k = 0.5000 1.0868 0.9256 ( 8140 PWs) bands (ev): -21.8895 -21.8895 -21.8882 -21.8882 -21.8745 -21.8745 -21.8737 -21.8737 -18.9219 -18.9219 -18.9173 -18.9173 -18.8999 -18.8999 -18.8962 -18.8962 -18.8881 -18.8881 -18.8869 -18.8869 -10.6754 -10.6754 -10.3740 -10.3740 -7.8805 -7.8805 -7.5652 -7.5652 -2.6135 -2.6135 -1.6853 -1.6853 -1.1547 -1.1547 -0.8923 -0.8923 -0.2600 -0.2600 0.0706 0.0706 3.0563 3.0563 3.9663 3.9663 4.7110 4.7110 5.3187 5.3187 5.6423 5.6423 k = 0.5000 1.0592 0.8974 ( 8128 PWs) bands (ev): -21.8895 -21.8895 -21.8883 -21.8883 -21.8745 -21.8745 -21.8738 -21.8738 -18.9216 -18.9216 -18.9176 -18.9176 -18.8993 -18.8993 -18.8961 -18.8961 -18.8884 -18.8884 -18.8872 -18.8871 -10.7234 -10.7234 -10.3576 -10.3576 -7.9237 -7.9237 -7.5412 -7.5412 -2.5733 -2.5733 -1.5601 -1.5601 -1.0920 -1.0920 -0.9121 -0.9121 -0.2148 -0.2148 0.1930 0.1930 2.9428 2.9428 3.8907 3.8907 4.6679 4.6679 5.2413 5.2413 5.5218 5.5218 k = 0.5000 1.0315 0.8691 ( 8136 PWs) bands (ev): -21.8895 -21.8895 -21.8884 -21.8883 -21.8745 -21.8744 -21.8738 -21.8738 -18.9213 -18.9213 -18.9178 -18.9178 -18.8988 -18.8988 -18.8961 -18.8960 -18.8888 -18.8887 -18.8874 -18.8874 -10.7724 -10.7724 -10.3415 -10.3415 -7.9645 -7.9645 -7.5143 -7.5143 -2.5316 -2.5316 -1.4470 -1.4470 -1.0382 -1.0382 -0.9123 -0.9123 -0.1699 -0.1699 0.3250 0.3250 2.8272 2.8272 3.8013 3.8013 4.6295 4.6295 5.1553 5.1553 5.4192 5.4192 k = 0.5000 1.0039 0.8409 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8884 -21.8884 -21.8744 -21.8744 -21.8739 -21.8739 -18.9211 -18.9211 -18.9180 -18.9180 -18.8983 -18.8983 -18.8960 -18.8959 -18.8891 -18.8891 -18.8877 -18.8877 -10.8220 -10.8220 -10.3260 -10.3260 -8.0026 -8.0026 -7.4846 -7.4846 -2.4884 -2.4884 -1.3508 -1.3508 -1.0352 -1.0352 -0.8443 -0.8443 -0.1251 -0.1251 0.4615 0.4615 2.7116 2.7116 3.7013 3.7013 4.5860 4.5860 5.0681 5.0681 5.3367 5.3367 k = 0.5000 0.9763 0.8127 ( 8142 PWs) bands (ev): -21.8895 -21.8895 -21.8885 -21.8885 -21.8744 -21.8744 -21.8740 -21.8739 -18.9209 -18.9209 -18.9183 -18.9182 -18.8978 -18.8978 -18.8959 -18.8958 -18.8894 -18.8894 -18.8880 -18.8880 -10.8720 -10.8720 -10.3111 -10.3111 -8.0376 -8.0376 -7.4521 -7.4521 -2.4438 -2.4438 -1.2751 -1.2751 -1.0592 -1.0592 -0.7272 -0.7272 -0.0800 -0.0800 0.5972 0.5972 2.5995 2.5995 3.5938 3.5938 4.5248 4.5248 4.9957 4.9957 5.2704 5.2704 k = 0.5000 0.9487 0.7845 ( 8150 PWs) bands (ev): -21.8895 -21.8895 -21.8885 -21.8885 -21.8744 -21.8743 -21.8740 -21.8740 -18.9207 -18.9207 -18.9185 -18.9184 -18.8974 -18.8974 -18.8957 -18.8957 -18.8898 -18.8898 -18.8882 -18.8882 -10.9221 -10.9221 -10.2972 -10.2972 -8.0691 -8.0691 -7.4169 -7.4169 -2.3981 -2.3981 -1.2274 -1.2274 -1.0759 -1.0759 -0.5875 -0.5875 -0.0342 -0.0342 0.7263 0.7263 2.4956 2.4956 3.4812 3.4812 4.4384 4.4384 4.9502 4.9502 5.2152 5.2152 k = 0.5000 0.9211 0.7562 ( 8154 PWs) bands (ev): -21.8896 -21.8895 -21.8886 -21.8886 -21.8744 -21.8743 -21.8741 -21.8741 -18.9207 -18.9206 -18.9186 -18.9186 -18.8970 -18.8970 -18.8955 -18.8955 -18.8901 -18.8901 -18.8885 -18.8885 -10.9723 -10.9723 -10.2844 -10.2844 -8.0967 -8.0967 -7.3790 -7.3790 -2.3514 -2.3514 -1.2227 -1.2227 -1.0607 -1.0607 -0.4352 -0.4352 0.0128 0.0128 0.8405 0.8405 2.4072 2.4072 3.3651 3.3651 4.3307 4.3307 4.9309 4.9310 5.1682 5.1682 k = 0.5000 0.8934 0.7280 ( 8136 PWs) bands (ev): -21.8896 -21.8896 -21.8887 -21.8887 -21.8744 -21.8743 -21.8742 -21.8741 -18.9206 -18.9206 -18.9187 -18.9187 -18.8968 -18.8968 -18.8952 -18.8952 -18.8905 -18.8905 -18.8887 -18.8887 -11.0223 -11.0223 -10.2729 -10.2729 -8.1203 -8.1203 -7.3386 -7.3386 -2.3039 -2.3039 -1.2503 -1.2503 -1.0195 -1.0195 -0.2766 -0.2766 0.0619 0.0619 0.9296 0.9296 2.3445 2.3445 3.2469 3.2469 4.2118 4.2118 4.9293 4.9293 5.1283 5.1283 k = 0.5000 0.8658 0.6998 ( 8132 PWs) bands (ev): -21.8896 -21.8896 -21.8887 -21.8887 -21.8744 -21.8744 -21.8742 -21.8741 -18.9207 -18.9207 -18.9187 -18.9187 -18.8966 -18.8966 -18.8949 -18.8948 -18.8909 -18.8908 -18.8888 -18.8888 -11.0718 -11.0718 -10.2629 -10.2629 -8.1395 -8.1395 -7.2957 -7.2957 -2.2559 -2.2559 -1.2892 -1.2892 -0.9702 -0.9702 -0.1184 -0.1184 0.1160 0.1160 0.9818 0.9818 2.3185 2.3185 3.1277 3.1277 4.0904 4.0904 4.9359 4.9359 5.0972 5.0972 k = 0.5000 0.8382 0.6716 ( 8126 PWs) bands (ev): -21.8896 -21.8896 -21.8888 -21.8888 -21.8745 -21.8744 -21.8742 -21.8741 -18.9209 -18.9209 -18.9187 -18.9187 -18.8966 -18.8966 -18.8945 -18.8944 -18.8912 -18.8912 -18.8890 -18.8890 -11.1208 -11.1208 -10.2546 -10.2546 -8.1541 -8.1541 -7.2505 -7.2505 -2.2077 -2.2077 -1.3312 -1.3312 -0.9190 -0.9190 0.0260 0.0260 0.1855 0.1855 0.9889 0.9889 2.3361 2.3361 3.0098 3.0098 3.9726 3.9727 4.9412 4.9412 5.0791 5.0791 k = 0.5000 0.8106 0.6433 ( 8124 PWs) bands (ev): -21.8897 -21.8896 -21.8889 -21.8889 -21.8745 -21.8745 -21.8741 -21.8741 -18.9212 -18.9211 -18.9186 -18.9186 -18.8966 -18.8966 -18.8941 -18.8941 -18.8916 -18.8916 -18.8891 -18.8891 -11.1690 -11.1690 -10.2481 -10.2481 -8.1641 -8.1641 -7.2032 -7.2032 -2.1598 -2.1598 -1.3734 -1.3734 -0.8676 -0.8676 0.1288 0.1289 0.2945 0.2945 0.9521 0.9521 2.3925 2.3925 2.8986 2.8986 3.8623 3.8623 4.9368 4.9368 5.0797 5.0797 k = 0.5000 0.7830 0.6151 ( 8128 PWs) bands (ev): -21.8897 -21.8897 -21.8890 -21.8889 -21.8746 -21.8746 -21.8741 -21.8741 -18.9215 -18.9214 -18.9185 -18.9184 -18.8966 -18.8966 -18.8938 -18.8937 -18.8919 -18.8919 -18.8891 -18.8891 -11.2164 -11.2164 -10.2434 -10.2434 -8.1693 -8.1693 -7.1537 -7.1537 -2.1128 -2.1128 -1.4143 -1.4143 -0.8165 -0.8165 0.1918 0.1918 0.4374 0.4374 0.8813 0.8813 2.4638 2.4638 2.8108 2.8108 3.7620 3.7620 4.9218 4.9218 5.0981 5.0981 k = 0.5000 0.7554 0.5869 ( 8114 PWs) bands (ev): -21.8897 -21.8897 -21.8890 -21.8890 -21.8747 -21.8747 -21.8741 -21.8741 -18.9218 -18.9218 -18.9183 -18.9183 -18.8966 -18.8966 -18.8935 -18.8934 -18.8923 -18.8922 -18.8891 -18.8891 -11.2627 -11.2627 -10.2406 -10.2406 -8.1698 -8.1698 -7.1024 -7.1024 -2.0674 -2.0674 -1.4525 -1.4525 -0.7659 -0.7659 0.2371 0.2371 0.5839 0.5839 0.7917 0.7917 2.4884 2.4884 2.7990 2.7990 3.6740 3.6740 4.9019 4.9019 5.1278 5.1278 k = 0.5000 0.7277 0.5587 ( 8110 PWs) bands (ev): -21.8898 -21.8897 -21.8891 -21.8891 -21.8748 -21.8748 -21.8741 -21.8741 -18.9221 -18.9221 -18.9182 -18.9182 -18.8967 -18.8967 -18.8932 -18.8932 -18.8926 -18.8926 -18.8890 -18.8890 -11.3079 -11.3079 -10.2397 -10.2397 -8.1656 -8.1656 -7.0494 -7.0494 -2.0250 -2.0250 -1.4869 -1.4869 -0.7160 -0.7160 0.2682 0.2682 0.6632 0.6632 0.7552 0.7552 2.4324 2.4324 2.8905 2.8905 3.6004 3.6004 4.8812 4.8812 5.1641 5.1641 k = 0.5000 0.7001 0.5304 ( 8122 PWs) bands (ev): -21.8898 -21.8898 -21.8892 -21.8892 -21.8749 -21.8749 -21.8741 -21.8741 -18.9225 -18.9225 -18.9181 -18.9181 -18.8968 -18.8968 -18.8932 -18.8932 -18.8928 -18.8928 -18.8889 -18.8889 -11.3518 -11.3518 -10.2405 -10.2405 -8.1569 -8.1569 -6.9949 -6.9949 -1.9870 -1.9870 -1.5157 -1.5157 -0.6672 -0.6672 0.2743 0.2743 0.5901 0.5901 0.8685 0.8685 2.3502 2.3502 3.0266 3.0266 3.5450 3.5450 4.8620 4.8621 5.2047 5.2047 k = 0.5000 0.6725 0.5022 ( 8120 PWs) bands (ev): -21.8898 -21.8898 -21.8893 -21.8892 -21.8750 -21.8750 -21.8741 -21.8741 -18.9229 -18.9229 -18.9180 -18.9180 -18.8969 -18.8969 -18.8934 -18.8934 -18.8928 -18.8927 -18.8887 -18.8887 -11.3943 -11.3943 -10.2431 -10.2431 -8.1439 -8.1439 -6.9391 -6.9391 -1.9557 -1.9557 -1.5369 -1.5369 -0.6196 -0.6196 0.2324 0.2324 0.5444 0.5444 0.9708 0.9708 2.2748 2.2748 3.1690 3.1690 3.5159 3.5159 4.8455 4.8455 5.2487 5.2487 k = 0.5000 0.6449 0.4740 ( 8108 PWs) bands (ev): -21.8899 -21.8898 -21.8893 -21.8893 -21.8751 -21.8751 -21.8741 -21.8741 -18.9233 -18.9233 -18.9179 -18.9179 -18.8971 -18.8971 -18.8937 -18.8936 -18.8927 -18.8926 -18.8885 -18.8885 -11.4354 -11.4354 -10.2473 -10.2473 -8.1268 -8.1268 -6.8821 -6.8821 -1.9335 -1.9335 -1.5481 -1.5481 -0.5737 -0.5737 0.1411 0.1411 0.5424 0.5424 1.0418 1.0418 2.2202 2.2202 3.2857 3.2857 3.5362 3.5362 4.8325 4.8325 5.2955 5.2955 k = 0.5000 0.6173 0.4458 ( 8096 PWs) bands (ev): -21.8899 -21.8899 -21.8894 -21.8894 -21.8752 -21.8752 -21.8741 -21.8741 -18.9236 -18.9236 -18.9178 -18.9178 -18.8972 -18.8972 -18.8940 -18.8939 -18.8926 -18.8926 -18.8882 -18.8882 -11.4749 -11.4749 -10.2528 -10.2528 -8.1060 -8.1060 -6.8243 -6.8243 -1.9224 -1.9224 -1.5477 -1.5477 -0.5301 -0.5301 0.0248 0.0248 0.5623 0.5623 1.0745 1.0745 2.1929 2.1929 3.3475 3.3475 3.6317 3.6317 4.8237 4.8237 5.3451 5.3451 k = 0.5000 0.5896 0.4175 ( 8104 PWs) bands (ev): -21.8900 -21.8899 -21.8895 -21.8894 -21.8753 -21.8753 -21.8741 -21.8741 -18.9240 -18.9240 -18.9177 -18.9177 -18.8974 -18.8974 -18.8942 -18.8942 -18.8926 -18.8926 -18.8879 -18.8879 -11.5128 -11.5128 -10.2596 -10.2596 -8.0818 -8.0818 -6.7659 -6.7659 -1.9224 -1.9224 -1.5359 -1.5359 -0.4896 -0.4896 -0.0995 -0.0995 0.5883 0.5883 1.0702 1.0702 2.1911 2.1911 3.3839 3.3839 3.7712 3.7712 4.8201 4.8201 5.3975 5.3975 k = 0.5000 0.5620 0.3893 ( 8100 PWs) bands (ev): -21.8900 -21.8900 -21.8896 -21.8895 -21.8754 -21.8754 -21.8741 -21.8741 -18.9244 -18.9244 -18.9177 -18.9176 -18.8975 -18.8975 -18.8945 -18.8945 -18.8926 -18.8926 -18.8876 -18.8876 -11.5489 -11.5489 -10.2674 -10.2674 -8.0547 -8.0547 -6.7072 -6.7072 -1.9316 -1.9316 -1.5152 -1.5152 -0.4540 -0.4540 -0.2234 -0.2234 0.6120 0.6120 1.0388 1.0388 2.2057 2.2057 3.4278 3.4278 3.9199 3.9199 4.8227 4.8227 5.4525 5.4525 k = 0.5000 0.5344 0.3611 ( 8106 PWs) bands (ev): -21.8901 -21.8900 -21.8896 -21.8896 -21.8755 -21.8755 -21.8741 -21.8741 -18.9248 -18.9248 -18.9176 -18.9176 -18.8977 -18.8977 -18.8948 -18.8947 -18.8926 -18.8926 -18.8873 -18.8873 -11.5833 -11.5833 -10.2761 -10.2761 -8.0251 -8.0251 -6.6485 -6.6485 -1.9474 -1.9474 -1.4891 -1.4891 -0.4325 -0.4325 -0.3346 -0.3346 0.6263 0.6263 0.9960 0.9960 2.2256 2.2256 3.4889 3.4889 4.0642 4.0642 4.8331 4.8331 5.5091 5.5091 k = 0.5000 0.5068 0.3329 ( 8110 PWs) bands (ev): -21.8901 -21.8901 -21.8897 -21.8896 -21.8756 -21.8756 -21.8741 -21.8741 -18.9252 -18.9251 -18.9176 -18.9176 -18.8979 -18.8979 -18.8950 -18.8950 -18.8927 -18.8926 -18.8870 -18.8870 -11.6159 -11.6159 -10.2853 -10.2853 -7.9935 -7.9935 -6.5901 -6.5901 -1.9670 -1.9670 -1.4610 -1.4610 -0.4879 -0.4879 -0.3685 -0.3685 0.6233 0.6233 0.9590 0.9590 2.2428 2.2428 3.5678 3.5678 4.1979 4.1979 4.8531 4.8531 5.5651 5.5651 k = 0.5000 0.4792 0.3046 ( 8118 PWs) bands (ev): -21.8902 -21.8901 -21.8897 -21.8897 -21.8757 -21.8757 -21.8741 -21.8741 -18.9255 -18.9255 -18.9175 -18.9175 -18.8980 -18.8980 -18.8952 -18.8952 -18.8927 -18.8927 -18.8867 -18.8867 -11.6465 -11.6465 -10.2949 -10.2949 -7.9603 -7.9603 -6.5324 -6.5324 -1.9887 -1.9887 -1.4342 -1.4342 -0.5905 -0.5905 -0.3536 -0.3536 0.5974 0.5974 0.9406 0.9406 2.2535 2.2535 3.6606 3.6606 4.3166 4.3166 4.8851 4.8851 5.6165 5.6165 k = 0.5000 0.4515 0.2764 ( 8112 PWs) bands (ev): -21.8902 -21.8902 -21.8898 -21.8898 -21.8758 -21.8757 -21.8741 -21.8741 -18.9259 -18.9259 -18.9175 -18.9175 -18.8982 -18.8982 -18.8954 -18.8954 -18.8928 -18.8927 -18.8864 -18.8864 -11.6753 -11.6753 -10.3047 -10.3047 -7.9262 -7.9262 -6.4758 -6.4758 -2.0113 -2.0113 -1.4120 -1.4120 -0.6883 -0.6883 -0.3409 -0.3409 0.5528 0.5528 0.9422 0.9422 2.2574 2.2574 3.7613 3.7613 4.4180 4.4180 4.9316 4.9316 5.6587 5.6587 k = 0.5000 0.4239 0.2482 ( 8112 PWs) bands (ev): -21.8902 -21.8902 -21.8899 -21.8898 -21.8758 -21.8758 -21.8741 -21.8741 -18.9262 -18.9262 -18.9175 -18.9175 -18.8983 -18.8983 -18.8956 -18.8955 -18.8928 -18.8928 -18.8862 -18.8862 -11.7020 -11.7020 -10.3145 -10.3145 -7.8916 -7.8916 -6.4207 -6.4207 -2.0339 -2.0339 -1.3979 -1.3979 -0.7732 -0.7732 -0.3363 -0.3363 0.5007 0.5007 0.9571 0.9571 2.2553 2.2553 3.8634 3.8634 4.5017 4.5017 4.9939 4.9939 5.6891 5.6891 k = 0.5000 0.3963 0.2200 ( 8112 PWs) bands (ev): -21.8903 -21.8902 -21.8899 -21.8899 -21.8759 -21.8759 -21.8741 -21.8741 -18.9265 -18.9265 -18.9175 -18.9175 -18.8985 -18.8985 -18.8957 -18.8957 -18.8929 -18.8929 -18.8859 -18.8859 -11.7268 -11.7268 -10.3242 -10.3242 -7.8570 -7.8570 -6.3675 -6.3675 -2.0559 -2.0559 -1.3956 -1.3956 -0.8409 -0.8409 -0.3422 -0.3422 0.4509 0.4509 0.9788 0.9788 2.2490 2.2490 3.9609 3.9609 4.5700 4.5700 5.0718 5.0718 5.7093 5.7093 k = 0.5000 0.3687 0.1917 ( 8112 PWs) bands (ev): -21.8903 -21.8903 -21.8899 -21.8899 -21.8760 -21.8760 -21.8741 -21.8741 -18.9268 -18.9268 -18.9175 -18.9175 -18.8986 -18.8986 -18.8959 -18.8959 -18.8929 -18.8929 -18.8857 -18.8857 -11.7494 -11.7494 -10.3335 -10.3335 -7.8231 -7.8231 -6.3166 -6.3166 -2.0772 -2.0772 -1.4079 -1.4079 -0.8883 -0.8883 -0.3591 -0.3591 0.4091 0.4091 1.0031 1.0031 2.2399 2.2399 4.0490 4.0490 4.6264 4.6264 5.1631 5.1631 5.7228 5.7228 k = 0.5000 0.3411 0.1635 ( 8110 PWs) bands (ev): -21.8904 -21.8903 -21.8900 -21.8900 -21.8761 -21.8760 -21.8741 -21.8741 -18.9271 -18.9271 -18.9175 -18.9174 -18.8988 -18.8988 -18.8960 -18.8960 -18.8930 -18.8930 -18.8855 -18.8855 -11.7700 -11.7700 -10.3423 -10.3423 -7.7903 -7.7903 -6.2687 -6.2687 -2.0974 -2.0974 -1.4345 -1.4345 -0.9155 -0.9155 -0.3864 -0.3864 0.3779 0.3779 1.0279 1.0279 2.2293 2.2293 4.1250 4.1250 4.6742 4.6742 5.2649 5.2649 5.7328 5.7328 k = 0.5000 0.3135 0.1353 ( 8112 PWs) bands (ev): -21.8904 -21.8904 -21.8900 -21.8900 -21.8761 -21.8761 -21.8741 -21.8741 -18.9273 -18.9273 -18.9175 -18.9174 -18.8989 -18.8989 -18.8961 -18.8961 -18.8930 -18.8930 -18.8853 -18.8853 -11.7885 -11.7885 -10.3506 -10.3506 -7.7593 -7.7593 -6.2240 -6.2240 -2.1163 -2.1163 -1.4716 -1.4716 -0.9262 -0.9262 -0.4218 -0.4218 0.3570 0.3570 1.0519 1.0519 2.2181 2.2181 4.1881 4.1881 4.7154 4.7154 5.3731 5.3731 5.7423 5.7423 k = 0.5000 0.2858 0.1071 ( 8108 PWs) bands (ev): -21.8904 -21.8904 -21.8901 -21.8900 -21.8762 -21.8762 -21.8741 -21.8741 -18.9276 -18.9276 -18.9175 -18.9174 -18.8990 -18.8990 -18.8962 -18.8962 -18.8931 -18.8931 -18.8851 -18.8851 -11.8049 -11.8049 -10.3581 -10.3581 -7.7304 -7.7304 -6.1831 -6.1831 -2.1340 -2.1340 -1.5137 -1.5137 -0.9257 -0.9257 -0.4622 -0.4622 0.3448 0.3448 1.0741 1.0741 2.2071 2.2071 4.2389 4.2389 4.7511 4.7511 5.4819 5.4819 5.7542 5.7542 k = 0.5000 0.2582 0.0788 ( 8110 PWs) bands (ev): -21.8905 -21.8904 -21.8901 -21.8901 -21.8762 -21.8762 -21.8741 -21.8741 -18.9278 -18.9278 -18.9175 -18.9175 -18.8991 -18.8991 -18.8963 -18.8963 -18.8931 -18.8931 -18.8849 -18.8849 -11.8191 -11.8191 -10.3648 -10.3648 -7.7042 -7.7042 -6.1466 -6.1466 -2.1501 -2.1501 -1.5559 -1.5559 -0.9188 -0.9188 -0.5041 -0.5041 0.3389 0.3389 1.0942 1.0942 2.1968 2.1968 4.2791 4.2791 4.7818 4.7818 5.5822 5.5822 5.7733 5.7733 k = 0.5000 0.2306 0.0506 ( 8112 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9279 -18.9279 -18.9175 -18.9175 -18.8992 -18.8992 -18.8963 -18.8963 -18.8932 -18.8932 -18.8848 -18.8848 -11.8312 -11.8312 -10.3706 -10.3706 -7.6812 -7.6812 -6.1147 -6.1147 -2.1645 -2.1645 -1.5949 -1.5949 -0.9091 -0.9091 -0.5444 -0.5444 0.3373 0.3373 1.1116 1.1116 2.1875 2.1875 4.3103 4.3103 4.8076 4.8076 5.6594 5.6594 5.8088 5.8088 k = 0.5000 0.2030 0.0224 ( 8112 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9281 -18.9281 -18.9175 -18.9175 -18.8992 -18.8992 -18.8964 -18.8964 -18.8932 -18.8932 -18.8847 -18.8847 -11.8411 -11.8411 -10.3755 -10.3755 -7.6617 -7.6617 -6.0880 -6.0880 -2.1769 -2.1769 -1.6284 -1.6284 -0.8990 -0.8990 -0.5807 -0.5807 0.3381 0.3381 1.1262 1.1262 2.1797 2.1797 4.3342 4.3342 4.8287 4.8287 5.7045 5.7045 5.8632 5.8632 k = 0.5000 0.1754-0.0058 ( 8112 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9175 -18.9175 -18.8993 -18.8993 -18.8964 -18.8964 -18.8932 -18.8932 -18.8846 -18.8846 -11.8488 -11.8488 -10.3793 -10.3793 -7.6462 -7.6462 -6.0669 -6.0669 -2.1871 -2.1871 -1.6553 -1.6553 -0.8899 -0.8899 -0.6108 -0.6108 0.3399 0.3399 1.1378 1.1378 2.1734 2.1734 4.3517 4.3517 4.8451 4.8451 5.7296 5.7296 5.9177 5.9177 k = 0.5000 0.1477-0.0341 ( 8118 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8763 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8993 -18.8965 -18.8965 -18.8933 -18.8933 -18.8846 -18.8846 -11.8543 -11.8543 -10.3821 -10.3821 -7.6349 -7.6349 -6.0515 -6.0515 -2.1947 -2.1947 -1.6747 -1.6747 -0.8828 -0.8828 -0.6333 -0.6333 0.3418 0.3418 1.1461 1.1461 2.1688 2.1688 4.3638 4.3638 4.8568 4.8568 5.7467 5.7467 5.9416 5.9416 k = 0.5000 0.1201-0.0623 ( 8110 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8576 -11.8576 -10.3838 -10.3838 -7.6280 -7.6280 -6.0422 -6.0422 -2.1993 -2.1993 -1.6864 -1.6864 -0.8784 -0.8784 -0.6472 -0.6472 0.3432 0.3432 1.1512 1.1512 2.1661 2.1661 4.3708 4.3708 4.8639 4.8639 5.7585 5.7585 5.9186 5.9186 k = 0.5000 0.0925-0.0905 ( 8118 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8742 -21.8742 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2009 -2.2009 -1.6904 -1.6904 -0.8768 -0.8768 -0.6519 -0.6519 0.3437 0.3437 1.1528 1.1528 2.1651 2.1651 4.3731 4.3731 4.8663 4.8663 5.7631 5.7631 5.9100 5.9100 k = 0.5000 0.0925 1.3830 ( 8142 PWs) bands (ev): -21.8894 -21.8894 -21.8894 -21.8894 -21.8739 -21.8739 -21.8738 -21.8738 -18.9204 -18.9204 -18.9202 -18.9202 -18.8945 -18.8945 -18.8943 -18.8943 -18.8897 -18.8897 -18.8897 -18.8897 -10.6751 -10.6751 -10.6750 -10.6750 -7.9857 -7.9857 -7.9854 -7.9854 -0.8700 -0.8700 -0.8680 -0.8680 0.2081 0.2081 0.2266 0.2266 0.6574 0.6574 0.6938 0.6938 1.9994 1.9994 2.0321 2.0321 3.3399 3.3399 3.3526 3.3526 4.3021 4.3021 k = 0.4865 0.0900 1.3457 ( 8142 PWs) bands (ev): -21.8895 -21.8894 -21.8894 -21.8894 -21.8739 -21.8739 -21.8738 -21.8738 -18.9206 -18.9204 -18.9201 -18.9200 -18.8947 -18.8945 -18.8944 -18.8941 -18.8898 -18.8897 -18.8897 -18.8896 -10.7224 -10.7223 -10.6289 -10.6289 -8.0322 -8.0319 -7.9359 -7.9355 -0.9304 -0.9282 -0.8102 -0.8084 0.1414 0.1589 0.2726 0.2918 0.5860 0.6202 0.7279 0.7663 1.9210 1.9555 2.0811 2.1120 3.2788 3.2920 3.4092 3.4213 4.2402 4.2410 k = 0.4730 0.0875 1.3083 ( 8145 PWs) bands (ev): -21.8895 -21.8894 -21.8894 -21.8894 -21.8740 -21.8740 -21.8738 -21.8738 -18.9208 -18.9206 -18.9199 -18.9198 -18.8949 -18.8946 -18.8942 -18.8939 -18.8899 -18.8898 -18.8897 -18.8896 -10.7706 -10.7705 -10.5843 -10.5843 -8.0749 -8.0746 -7.8829 -7.8825 -0.9909 -0.9886 -0.7515 -0.7500 0.0736 0.0898 0.3329 0.3520 0.5159 0.5474 0.7968 0.8366 1.8469 1.8828 2.1656 2.1947 3.2273 3.2407 3.4854 3.4969 4.1732 4.1736 k = 0.4595 0.0850 1.2709 ( 8150 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8894 -21.8740 -21.8740 -21.8737 -21.8737 -18.9211 -18.9209 -18.9197 -18.9196 -18.8950 -18.8948 -18.8940 -18.8938 -18.8900 -18.8899 -18.8896 -18.8896 -10.8195 -10.8193 -10.5415 -10.5414 -8.1135 -8.1134 -7.8270 -7.8266 -1.0512 -1.0489 -0.6947 -0.6935 0.0060 0.0206 0.3824 0.3942 0.4593 0.4814 0.8630 0.9034 1.7781 1.8149 2.2525 2.2796 3.1864 3.1999 3.5667 3.5775 4.1101 4.1105 k = 0.4459 0.0825 1.2335 ( 8144 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8894 -21.8741 -21.8741 -21.8737 -21.8737 -18.9213 -18.9211 -18.9195 -18.9194 -18.8952 -18.8950 -18.8939 -18.8936 -18.8901 -18.8900 -18.8896 -18.8896 -10.8687 -10.8685 -10.5008 -10.5006 -8.1479 -8.1478 -7.7686 -7.7682 -1.1112 -1.1087 -0.6410 -0.6402 -0.0601 -0.0474 0.3561 0.3740 0.4691 0.4782 0.9254 0.9652 1.7165 1.7533 2.3411 2.3665 3.1572 3.1706 3.6499 3.6604 4.0535 4.0547 k = 0.4324 0.0800 1.1961 ( 8139 PWs) bands (ev): -21.8895 -21.8895 -21.8894 -21.8894 -21.8742 -21.8741 -21.8737 -21.8737 -18.9215 -18.9213 -18.9193 -18.9192 -18.8954 -18.8951 -18.8937 -18.8934 -18.8902 -18.8901 -18.8896 -18.8896 -10.9181 -10.9179 -10.4626 -10.4623 -8.1778 -8.1777 -7.7078 -7.7074 -1.1705 -1.1679 -0.5923 -0.5923 -0.1228 -0.1123 0.2893 0.3103 0.5071 0.5204 0.9824 1.0195 1.6645 1.6997 2.4312 2.4548 3.1404 3.1535 3.7277 3.7381 4.0107 4.0132 k = 0.4189 0.0775 1.1588 ( 8138 PWs) bands (ev): -21.8896 -21.8895 -21.8894 -21.8894 -21.8743 -21.8742 -21.8737 -21.8737 -18.9218 -18.9216 -18.9191 -18.9190 -18.8955 -18.8953 -18.8936 -18.8933 -18.8903 -18.8902 -18.8896 -18.8895 -10.9674 -10.9672 -10.4271 -10.4268 -8.2027 -8.2027 -7.6450 -7.6446 -1.2290 -1.2263 -0.5537 -0.5523 -0.1783 -0.1710 0.2215 0.2411 0.5454 0.5576 1.0315 1.0631 1.6260 1.6571 2.5223 2.5443 3.1365 3.1491 3.7803 3.7901 4.0023 4.0057 k = 0.4054 0.0750 1.1214 ( 8138 PWs) bands (ev): -21.8896 -21.8896 -21.8894 -21.8894 -21.8743 -21.8743 -21.8737 -21.8737 -18.9220 -18.9218 -18.9190 -18.9188 -18.8957 -18.8954 -18.8935 -18.8932 -18.8905 -18.8904 -18.8896 -18.8895 -11.0165 -11.0162 -10.3946 -10.3942 -8.2227 -8.2227 -7.5803 -7.5799 -1.2866 -1.2838 -0.5312 -0.5274 -0.2206 -0.2176 0.1557 0.1730 0.5771 0.5872 1.0691 1.0917 1.6055 1.6294 2.6139 2.6345 3.1458 3.1578 3.7856 3.7930 4.0522 4.0546 k = 0.3919 0.0725 1.0840 ( 8130 PWs) bands (ev): -21.8896 -21.8896 -21.8894 -21.8894 -21.8744 -21.8744 -21.8737 -21.8736 -18.9223 -18.9221 -18.9188 -18.9187 -18.8958 -18.8956 -18.8934 -18.8931 -18.8907 -18.8905 -18.8895 -18.8895 -11.0651 -11.0648 -10.3654 -10.3650 -8.2375 -8.2374 -7.5141 -7.5137 -1.3430 -1.3401 -0.5330 -0.5264 -0.2445 -0.2424 0.0934 0.1080 0.6012 0.6086 1.0913 1.1022 1.6067 1.6208 2.7057 2.7248 3.1676 3.1790 3.7618 3.7672 4.1404 4.1421 k = 0.3784 0.0700 1.0466 ( 8129 PWs) bands (ev): -21.8897 -21.8896 -21.8894 -21.8894 -21.8745 -21.8744 -21.8737 -21.8736 -18.9226 -18.9224 -18.9186 -18.9185 -18.8959 -18.8957 -18.8933 -18.8931 -18.8908 -18.8907 -18.8895 -18.8894 -11.1131 -11.1128 -10.3397 -10.3392 -8.2470 -8.2468 -7.4466 -7.4461 -1.3982 -1.3952 -0.5611 -0.5528 -0.2506 -0.2438 0.0367 0.0479 0.6174 0.6224 1.0948 1.0957 1.6295 1.6334 2.7968 2.8147 3.2008 3.2116 3.7326 3.7369 4.2437 4.2458 k = 0.3649 0.0675 1.0092 ( 8134 PWs) bands (ev): -21.8897 -21.8897 -21.8895 -21.8894 -21.8746 -21.8745 -21.8737 -21.8736 -18.9228 -18.9226 -18.9185 -18.9184 -18.8961 -18.8958 -18.8933 -18.8931 -18.8910 -18.8908 -18.8894 -18.8894 -11.1604 -11.1601 -10.3175 -10.3169 -8.2511 -8.2509 -7.3779 -7.3775 -1.4521 -1.4490 -0.6077 -0.5990 -0.2469 -0.2361 -0.0111 -0.0041 0.6267 0.6297 1.0737 1.0839 1.6654 1.6696 2.8866 2.9034 3.2433 3.2536 3.7085 3.7123 4.3542 4.3571 k = 0.3514 0.0650 0.9719 ( 8134 PWs) bands (ev): -21.8897 -21.8897 -21.8895 -21.8894 -21.8747 -21.8746 -21.8737 -21.8736 -18.9231 -18.9229 -18.9183 -18.9182 -18.8962 -18.8960 -18.8933 -18.8931 -18.8912 -18.8910 -18.8893 -18.8892 -11.2068 -11.2065 -10.2990 -10.2984 -8.2499 -8.2497 -7.3085 -7.3080 -1.5045 -1.5013 -0.6640 -0.6559 -0.2490 -0.2345 -0.0448 -0.0423 0.6306 0.6322 1.0441 1.0601 1.7121 1.7215 2.9738 2.9897 3.2921 3.3019 3.6959 3.6994 4.4686 4.4726 k = 0.3378 0.0625 0.9345 ( 8138 PWs) bands (ev): -21.8898 -21.8897 -21.8895 -21.8894 -21.8748 -21.8747 -21.8737 -21.8737 -18.9234 -18.9232 -18.9182 -18.9181 -18.8963 -18.8961 -18.8934 -18.8932 -18.8914 -18.8912 -18.8891 -18.8891 -11.2522 -11.2518 -10.2841 -10.2835 -8.2436 -8.2433 -7.2383 -7.2380 -1.5554 -1.5522 -0.7250 -0.7177 -0.2668 -0.2501 -0.0616 -0.0608 0.6310 0.6322 1.0099 1.0286 1.7683 1.7805 3.0565 3.0715 3.3437 3.3529 3.7008 3.7044 4.5854 4.5904 k = 0.3243 0.0600 0.8971 ( 8137 PWs) bands (ev): -21.8898 -21.8898 -21.8895 -21.8895 -21.8749 -21.8748 -21.8737 -21.8737 -18.9236 -18.9235 -18.9181 -18.9180 -18.8964 -18.8962 -18.8935 -18.8933 -18.8916 -18.8914 -18.8890 -18.8889 -11.2965 -11.2961 -10.2728 -10.2721 -8.2323 -8.2319 -7.1679 -7.1675 -1.6047 -1.6014 -0.7879 -0.7815 -0.2993 -0.2829 -0.0659 -0.0641 0.6302 0.6318 0.9739 0.9930 1.8295 1.8430 3.1315 3.1454 3.3960 3.4044 3.7284 3.7325 4.7031 4.7092 k = 0.3108 0.0575 0.8597 ( 8141 PWs) bands (ev): -21.8899 -21.8898 -21.8896 -21.8895 -21.8750 -21.8749 -21.8737 -21.8737 -18.9239 -18.9238 -18.9180 -18.9179 -18.8965 -18.8963 -18.8936 -18.8934 -18.8917 -18.8915 -18.8888 -18.8887 -11.3395 -11.3392 -10.2648 -10.2641 -8.2163 -8.2160 -7.0973 -7.0969 -1.6523 -1.6489 -0.8514 -0.8457 -0.3398 -0.3248 -0.0656 -0.0639 0.6302 0.6330 0.9379 0.9557 1.8925 1.9062 3.1945 3.2068 3.4520 3.4589 3.7805 3.7853 4.8202 4.8274 k = 0.2973 0.0550 0.8223 ( 8138 PWs) bands (ev): -21.8899 -21.8899 -21.8896 -21.8895 -21.8751 -21.8750 -21.8737 -21.8737 -18.9242 -18.9240 -18.9179 -18.9178 -18.8967 -18.8965 -18.8938 -18.8936 -18.8919 -18.8917 -18.8885 -18.8885 -11.3813 -11.3809 -10.2600 -10.2592 -8.1961 -8.1958 -7.0268 -7.0265 -1.6982 -1.6947 -0.9144 -0.9096 -0.3832 -0.3697 -0.0681 -0.0667 0.6322 0.6369 0.9035 0.9187 1.9544 1.9678 3.2430 3.2533 3.5170 3.5220 3.8537 3.8593 4.9346 4.9424 k = 0.2838 0.0525 0.7850 ( 8137 PWs) bands (ev): -21.8899 -21.8899 -21.8896 -21.8895 -21.8752 -21.8751 -21.8738 -21.8737 -18.9245 -18.9243 -18.9178 -18.9177 -18.8968 -18.8966 -18.8940 -18.8937 -18.8921 -18.8919 -18.8883 -18.8883 -11.4216 -11.4213 -10.2580 -10.2572 -8.1721 -8.1717 -6.9566 -6.9564 -1.7422 -1.7387 -0.9765 -0.9724 -0.4269 -0.4148 -0.0770 -0.0756 0.6363 0.6436 0.8723 0.8838 2.0131 2.0258 3.2799 3.2883 3.5927 3.5961 3.9428 3.9491 5.0428 5.0504 k = 0.2703 0.0500 0.7476 ( 8131 PWs) bands (ev): -21.8900 -21.8900 -21.8896 -21.8896 -21.8753 -21.8752 -21.8738 -21.8738 -18.9248 -18.9246 -18.9177 -18.9176 -18.8969 -18.8967 -18.8941 -18.8939 -18.8923 -18.8921 -18.8881 -18.8881 -11.4605 -11.4602 -10.2586 -10.2578 -8.1447 -8.1444 -6.8871 -6.8869 -1.7844 -1.7808 -1.0373 -1.0338 -0.4695 -0.4587 -0.0931 -0.0916 0.6408 0.6514 0.8467 0.8535 2.0667 2.0786 3.3119 3.3188 3.6765 3.6789 4.0432 4.0502 5.1385 5.1445 k = 0.2568 0.0475 0.7102 ( 8125 PWs) bands (ev): -21.8900 -21.8900 -21.8897 -21.8896 -21.8754 -21.8753 -21.8738 -21.8738 -18.9250 -18.9249 -18.9176 -18.9176 -18.8971 -18.8969 -18.8943 -18.8941 -18.8925 -18.8922 -18.8878 -18.8878 -11.4979 -11.4976 -10.2613 -10.2605 -8.1146 -8.1142 -6.8185 -6.8183 -1.8247 -1.8211 -1.0965 -1.0935 -0.5105 -0.5009 -0.1162 -0.1144 0.6420 0.6562 0.8302 0.8318 2.1137 2.1246 3.3451 3.3511 3.7652 3.7670 4.1516 4.1592 5.2130 5.2159 k = 0.2432 0.0450 0.6728 ( 8116 PWs) bands (ev): -21.8901 -21.8900 -21.8897 -21.8896 -21.8755 -21.8754 -21.8738 -21.8738 -18.9253 -18.9252 -18.9176 -18.9175 -18.8972 -18.8970 -18.8945 -18.8943 -18.8926 -18.8924 -18.8875 -18.8875 -11.5336 -11.5333 -10.2660 -10.2652 -8.0821 -8.0817 -6.7510 -6.7508 -1.8630 -1.8594 -1.1537 -1.1512 -0.5496 -0.5409 -0.1451 -0.1430 0.6359 0.6528 0.8235 0.8260 2.1530 2.1629 3.3836 3.3889 3.8561 3.8579 4.2657 4.2740 5.2604 5.2612 k = 0.2297 0.0425 0.6354 ( 8116 PWs) bands (ev): -21.8901 -21.8901 -21.8897 -21.8897 -21.8756 -21.8755 -21.8739 -21.8738 -18.9256 -18.9255 -18.9175 -18.9175 -18.8974 -18.8972 -18.8947 -18.8945 -18.8928 -18.8925 -18.8873 -18.8873 -11.5677 -11.5674 -10.2722 -10.2714 -8.0478 -8.0475 -6.6849 -6.6848 -1.8994 -1.8958 -1.2088 -1.2068 -0.5865 -0.5787 -0.1787 -0.1761 0.6213 0.6386 0.8301 0.8346 2.1843 2.1933 3.4293 3.4342 3.9476 3.9496 4.3841 4.3929 5.2836 5.2862 k = 0.2162 0.0400 0.5981 ( 8113 PWs) bands (ev): -21.8902 -21.8901 -21.8898 -21.8897 -21.8756 -21.8755 -21.8739 -21.8739 -18.9258 -18.9258 -18.9175 -18.9174 -18.8975 -18.8974 -18.8949 -18.8947 -18.8929 -18.8927 -18.8870 -18.8870 -11.6001 -11.5998 -10.2796 -10.2789 -8.0123 -8.0120 -6.6205 -6.6204 -1.9338 -1.9302 -1.2616 -1.2599 -0.6211 -0.6141 -0.2156 -0.2125 0.6004 0.6164 0.8481 0.8528 2.2077 2.2157 3.4831 3.4877 4.0385 4.0408 4.5054 4.5148 5.2926 5.2963 k = 0.2027 0.0375 0.5607 ( 8107 PWs) bands (ev): -21.8902 -21.8902 -21.8898 -21.8898 -21.8757 -21.8756 -21.8739 -21.8739 -18.9261 -18.9260 -18.9174 -18.9174 -18.8977 -18.8976 -18.8950 -18.8948 -18.8930 -18.8928 -18.8868 -18.8868 -11.6308 -11.6305 -10.2880 -10.2872 -7.9761 -7.9758 -6.5581 -6.5580 -1.9661 -1.9625 -1.3118 -1.3104 -0.6534 -0.6471 -0.2547 -0.2511 0.5761 0.5902 0.8727 0.8769 2.2238 2.2310 3.5444 3.5488 4.1277 4.1304 4.6286 4.6384 5.2932 5.2976 k = 0.1892 0.0350 0.5233 ( 8113 PWs) bands (ev): -21.8902 -21.8902 -21.8899 -21.8898 -21.8758 -21.8757 -21.8740 -21.8739 -18.9264 -18.9263 -18.9174 -18.9174 -18.8978 -18.8977 -18.8952 -18.8950 -18.8931 -18.8929 -18.8865 -18.8865 -11.6596 -11.6593 -10.2969 -10.2962 -7.9397 -7.9394 -6.4979 -6.4979 -1.9964 -1.9929 -1.3594 -1.3582 -0.6834 -0.6778 -0.2949 -0.2910 0.5504 0.5626 0.9006 0.9042 2.2337 2.2401 3.6122 3.6166 4.2144 4.2175 4.7525 4.7627 5.2891 5.2943 k = 0.1757 0.0325 0.4859 ( 8109 PWs) bands (ev): -21.8903 -21.8903 -21.8899 -21.8898 -21.8759 -21.8758 -21.8740 -21.8739 -18.9266 -18.9265 -18.9174 -18.9174 -18.8980 -18.8979 -18.8954 -18.8952 -18.8932 -18.8930 -18.8863 -18.8863 -11.6866 -11.6864 -10.3062 -10.3056 -7.9036 -7.9033 -6.4403 -6.4402 -2.0247 -2.0212 -1.4041 -1.4032 -0.7111 -0.7061 -0.3354 -0.3312 0.5248 0.5352 0.9297 0.9328 2.2385 2.2441 3.6853 3.6896 4.2976 4.3011 4.8758 4.8863 5.2836 5.2893 k = 0.1622 0.0300 0.4486 ( 8107 PWs) bands (ev): -21.8903 -21.8903 -21.8899 -21.8899 -21.8759 -21.8759 -21.8740 -21.8740 -18.9268 -18.9268 -18.9174 -18.9174 -18.8982 -18.8981 -18.8955 -18.8953 -18.8932 -18.8930 -18.8860 -18.8860 -11.7117 -11.7115 -10.3157 -10.3151 -7.8681 -7.8679 -6.3855 -6.3854 -2.0508 -2.0475 -1.4459 -1.4452 -0.7366 -0.7320 -0.3754 -0.3711 0.4998 0.5088 0.9589 0.9614 2.2392 2.2442 3.7619 3.7663 4.3765 4.3803 4.9959 5.0063 5.2797 5.2865 k = 0.1486 0.0275 0.4112 ( 8121 PWs) bands (ev): -21.8904 -21.8903 -21.8900 -21.8899 -21.8760 -21.8759 -21.8740 -21.8740 -18.9271 -18.9270 -18.9174 -18.9174 -18.8983 -18.8983 -18.8957 -18.8955 -18.8933 -18.8931 -18.8858 -18.8858 -11.7350 -11.7348 -10.3251 -10.3245 -7.8338 -7.8336 -6.3337 -6.3337 -2.0749 -2.0717 -1.4846 -1.4840 -0.7598 -0.7557 -0.4144 -0.4100 0.4761 0.4837 0.9872 0.9893 2.2370 2.2414 3.8407 3.8450 4.4503 4.4542 5.1061 5.1155 5.2850 5.2938 k = 0.1351 0.0250 0.3738 ( 8133 PWs) bands (ev): -21.8904 -21.8904 -21.8900 -21.8899 -21.8761 -21.8760 -21.8740 -21.8740 -18.9273 -18.9272 -18.9174 -18.9174 -18.8985 -18.8984 -18.8958 -18.8956 -18.8933 -18.8931 -18.8856 -18.8856 -11.7563 -11.7561 -10.3342 -10.3337 -7.8011 -7.8009 -6.2854 -6.2854 -2.0970 -2.0939 -1.5202 -1.5197 -0.7807 -0.7771 -0.4517 -0.4473 0.4539 0.4603 1.0141 1.0159 2.2328 2.2367 3.9199 3.9242 4.5182 4.5221 5.1830 5.1897 5.3230 5.3351 k = 0.1216 0.0225 0.3364 ( 8134 PWs) bands (ev): -21.8904 -21.8904 -21.8900 -21.8900 -21.8761 -21.8761 -21.8741 -21.8740 -18.9275 -18.9274 -18.9174 -18.9174 -18.8987 -18.8986 -18.8959 -18.8958 -18.8933 -18.8932 -18.8854 -18.8854 -11.7756 -11.7754 -10.3429 -10.3424 -7.7702 -7.7701 -6.2407 -6.2407 -2.1169 -2.1140 -1.5525 -1.5521 -0.7995 -0.7963 -0.4870 -0.4827 0.4335 0.4388 1.0393 1.0408 2.2273 2.2307 3.9981 4.0023 4.5792 4.5830 5.2098 5.2154 5.4105 5.4239 k = 0.1081 0.0200 0.2990 ( 8133 PWs) bands (ev): -21.8904 -21.8904 -21.8901 -21.8900 -21.8762 -21.8761 -21.8741 -21.8741 -18.9276 -18.9276 -18.9174 -18.9174 -18.8988 -18.8988 -18.8960 -18.8959 -18.8933 -18.8932 -18.8852 -18.8852 -11.7930 -11.7928 -10.3510 -10.3506 -7.7417 -7.7416 -6.1999 -6.1999 -2.1347 -2.1321 -1.5814 -1.5811 -0.8162 -0.8134 -0.5197 -0.5156 0.4149 0.4194 1.0623 1.0636 2.2211 2.2240 4.0738 4.0778 4.6327 4.6362 5.2170 5.2230 5.5161 5.5295 k = 0.0946 0.0175 0.2617 ( 8133 PWs) bands (ev): -21.8905 -21.8904 -21.8901 -21.8900 -21.8762 -21.8762 -21.8741 -21.8741 -18.9278 -18.9278 -18.9174 -18.9174 -18.8989 -18.8989 -18.8961 -18.8960 -18.8933 -18.8932 -18.8851 -18.8851 -11.8083 -11.8082 -10.3585 -10.3581 -7.7157 -7.7156 -6.1633 -6.1633 -2.1505 -2.1481 -1.6070 -1.6068 -0.8307 -0.8283 -0.5494 -0.5456 0.3983 0.4020 1.0831 1.0841 2.2148 2.2173 4.1455 4.1493 4.6782 4.6812 5.2210 5.2275 5.6226 5.6356 k = 0.0811 0.0150 0.2243 ( 8136 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8762 -21.8741 -21.8741 -18.9279 -18.9279 -18.9174 -18.9174 -18.8990 -18.8990 -18.8962 -18.8961 -18.8933 -18.8932 -18.8849 -18.8849 -11.8216 -11.8215 -10.3651 -10.3648 -7.6926 -7.6925 -6.1310 -6.1310 -2.1641 -2.1620 -1.6292 -1.6290 -0.8432 -0.8412 -0.5759 -0.5725 0.3838 0.3868 1.1013 1.1021 2.2087 2.2108 4.2117 4.2152 4.7155 4.7179 5.2258 5.2326 5.7244 5.7368 k = 0.0676 0.0125 0.1869 ( 8138 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9281 -18.9281 -18.9174 -18.9174 -18.8991 -18.8991 -18.8963 -18.8962 -18.8933 -18.8932 -18.8848 -18.8848 -11.8330 -11.8329 -10.3709 -10.3706 -7.6726 -7.6726 -6.1034 -6.1033 -2.1757 -2.1739 -1.6480 -1.6479 -0.8537 -0.8520 -0.5988 -0.5958 0.3715 0.3739 1.1169 1.1175 2.2032 2.2049 4.2711 4.2742 4.7448 4.7466 5.2321 5.2389 5.8184 5.8296 k = 0.0541 0.0100 0.1495 ( 8146 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9174 -18.9174 -18.8992 -18.8992 -18.8964 -18.8963 -18.8933 -18.8932 -18.8847 -18.8847 -11.8422 -11.8421 -10.3757 -10.3754 -7.6560 -7.6559 -6.0805 -6.0804 -2.1851 -2.1836 -1.6634 -1.6632 -0.8622 -0.8609 -0.6178 -0.6154 0.3614 0.3633 1.1297 1.1302 2.1984 2.1997 4.3223 4.3249 4.7667 4.7680 5.2395 5.2459 5.8991 5.9061 k = 0.0405 0.0075 0.1121 ( 8152 PWs) bands (ev): -21.8905 -21.8905 -21.8901 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9282 -18.9282 -18.9175 -18.9175 -18.8993 -18.8993 -18.8964 -18.8964 -18.8933 -18.8933 -18.8846 -18.8846 -11.8494 -11.8494 -10.3794 -10.3793 -7.6428 -7.6428 -6.0625 -6.0624 -2.1924 -2.1913 -1.6753 -1.6752 -0.8688 -0.8678 -0.6328 -0.6309 0.3536 0.3549 1.1398 1.1402 2.1945 2.1955 4.3638 4.3659 4.7822 4.7831 5.2471 5.2525 5.9162 5.9281 k = 0.0270 0.0050 0.0748 ( 8160 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8901 -21.8763 -21.8763 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8993 -18.8993 -18.8965 -18.8964 -18.8933 -18.8933 -18.8846 -18.8846 -11.8546 -11.8546 -10.3822 -10.3821 -7.6334 -7.6333 -6.0495 -6.0495 -2.1976 -2.1968 -1.6838 -1.6837 -0.8734 -0.8727 -0.6436 -0.6423 0.3480 0.3489 1.1471 1.1473 2.1917 2.1924 4.3947 4.3960 4.7924 4.7929 5.2539 5.2579 5.9010 5.9106 k = 0.0135 0.0025 0.0374 ( 8162 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8763 -21.8742 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8993 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8577 -11.8577 -10.3838 -10.3838 -7.6276 -7.6276 -6.0417 -6.0417 -2.2006 -2.2002 -1.6889 -1.6889 -0.8761 -0.8757 -0.6499 -0.6493 0.3447 0.3451 1.1514 1.1515 2.1901 2.1904 4.4137 4.4144 4.7981 4.7983 5.2589 5.2610 5.8915 5.8966 k = 0.0000 0.0000 0.0000 ( 8149 PWs) bands (ev): -21.8905 -21.8905 -21.8902 -21.8902 -21.8764 -21.8764 -21.8741 -21.8741 -18.9283 -18.9283 -18.9175 -18.9175 -18.8994 -18.8994 -18.8965 -18.8965 -18.8933 -18.8933 -18.8845 -18.8845 -11.8587 -11.8587 -10.3843 -10.3843 -7.6257 -7.6257 -6.0391 -6.0391 -2.2015 -2.2015 -1.6906 -1.6906 -0.8768 -0.8768 -0.6518 -0.6518 0.3438 0.3438 1.1529 1.1529 2.1897 2.1897 4.4204 4.4204 4.7999 4.7999 5.2614 5.2614 5.8900 5.8900 Writing output data file BiSe.save init_run : 2.99s CPU 9.90s WALL ( 1 calls) electrons : 1364.72s CPU 1376.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 2.10s WALL ( 1 calls) Called by electrons: c_bands : 1364.67s CPU 1375.85s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.05s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.66s WALL ( 1 calls) newd : 0.69s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.11s WALL ( 365 calls) cegterg : 1274.71s CPU 1282.37s WALL ( 705 calls) Called by sum_band: Called by *egterg: h_psi : 1037.58s CPU 1048.31s WALL ( 10517 calls) s_psi : 22.24s CPU 22.63s WALL ( 10517 calls) g_psi : 1.13s CPU 1.13s WALL ( 9447 calls) cdiaghg : 165.90s CPU 164.01s WALL ( 9812 calls) cegterg:over : 60.48s CPU 57.68s WALL ( 9447 calls) cegterg:upda : 18.66s CPU 21.73s WALL ( 9447 calls) cegterg:last : 15.27s CPU 15.99s WALL ( 1800 calls) Called by h_psi: h_psi:vloc : 986.37s CPU 995.51s WALL ( 10517 calls) h_psi:vnl : 50.54s CPU 51.53s WALL ( 10517 calls) add_vuspsi : 15.01s CPU 18.38s WALL ( 10517 calls) General routines calbec : 35.48s CPU 33.04s WALL ( 10517 calls) fft : 0.29s CPU 1.62s WALL ( 19 calls) ffts : 0.01s CPU 0.33s WALL ( 4 calls) fftw : 642.98s CPU 644.88s WALL ( 1093324 calls) interpolate : 0.08s CPU 0.41s WALL ( 4 calls) davcio : 0.04s CPU 2.19s WALL ( 730 calls) Parallel routines fft_scatter : 314.48s CPU 308.63s WALL ( 1093347 calls) PWSCF : 24m 1.04s CPU 26m53.05s WALL This run was terminated on: 17:56:44 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=