Program PWSCF v.5.1.1 starts on 20Oct2015 at 13:18:54 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 85 62 17 2200 1364 206 Max 86 63 18 2203 1382 209 Sum 4107 2997 855 105679 65865 9983 bravais-lattice index = 14 lattice parameter (alat) = 22.5199 a.u. unit-cell volume = 1376.8615 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 22.519865 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.928680 celldm(5)= 0.928680 celldm(6)= 0.928680 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.928680 0.370882 0.000000 ) a(3) = ( 0.928680 0.178583 0.325056 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.503980 -1.481318 ) b(2) = ( 0.000000 2.696278 -1.481318 ) b(3) = ( 0.000000 0.000000 3.076397 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0121951 -0.0305363 -0.0180649), wk = 0.0038314 k( 3) = ( 0.0243902 -0.0610727 -0.0361297), wk = 0.0038314 k( 4) = ( 0.0365854 -0.0916090 -0.0541946), wk = 0.0038314 k( 5) = ( 0.0487805 -0.1221454 -0.0722594), wk = 0.0038314 k( 6) = ( 0.0609756 -0.1526817 -0.0903243), wk = 0.0038314 k( 7) = ( 0.0731707 -0.1832180 -0.1083891), wk = 0.0038314 k( 8) = ( 0.0853658 -0.2137544 -0.1264540), wk = 0.0038314 k( 9) = ( 0.0975610 -0.2442907 -0.1445188), wk = 0.0038314 k( 10) = ( 0.1097561 -0.2748271 -0.1625837), wk = 0.0038314 k( 11) = ( 0.1219512 -0.3053634 -0.1806486), wk = 0.0038314 k( 12) = ( 0.1341463 -0.3358997 -0.1987134), wk = 0.0038314 k( 13) = ( 0.1463415 -0.3664361 -0.2167783), wk = 0.0038314 k( 14) = ( 0.1585366 -0.3969724 -0.2348431), wk = 0.0038314 k( 15) = ( 0.1707317 -0.4275088 -0.2529080), wk = 0.0038314 k( 16) = ( 0.1829268 -0.4580451 -0.2709728), wk = 0.0038314 k( 17) = ( 0.1951219 -0.4885814 -0.2890377), wk = 0.0038314 k( 18) = ( 0.2073171 -0.5191178 -0.3071025), wk = 0.0038314 k( 19) = ( 0.2195122 -0.5496541 -0.3251674), wk = 0.0038314 k( 20) = ( 0.2317073 -0.5801905 -0.3432323), wk = 0.0038314 k( 21) = ( 0.2439024 -0.6107268 -0.3612971), wk = 0.0038314 k( 22) = ( 0.2560976 -0.6412631 -0.3793620), wk = 0.0038314 k( 23) = ( 0.2682927 -0.6717995 -0.3974268), wk = 0.0038314 k( 24) = ( 0.2804878 -0.7023358 -0.4154917), wk = 0.0038314 k( 25) = ( 0.2926829 -0.7328722 -0.4335565), wk = 0.0038314 k( 26) = ( 0.3048781 -0.7634085 -0.4516214), wk = 0.0038314 k( 27) = ( 0.3170732 -0.7939448 -0.4696862), wk = 0.0038314 k( 28) = ( 0.3292683 -0.8244812 -0.4877511), wk = 0.0038314 k( 29) = ( 0.3414634 -0.8550175 -0.5058159), wk = 0.0038314 k( 30) = ( 0.3536585 -0.8855539 -0.5238808), wk = 0.0038314 k( 31) = ( 0.3658537 -0.9160902 -0.5419457), wk = 0.0038314 k( 32) = ( 0.3780488 -0.9466265 -0.5600105), wk = 0.0038314 k( 33) = ( 0.3902439 -0.9771629 -0.5780754), wk = 0.0038314 k( 34) = ( 0.4024390 -1.0076992 -0.5961402), wk = 0.0038314 k( 35) = ( 0.4146341 -1.0382356 -0.6142051), wk = 0.0038314 k( 36) = ( 0.4268293 -1.0687719 -0.6322699), wk = 0.0038314 k( 37) = ( 0.4390244 -1.0993082 -0.6503348), wk = 0.0038314 k( 38) = ( 0.4512195 -1.1298446 -0.6683996), wk = 0.0038314 k( 39) = ( 0.4634146 -1.1603809 -0.6864645), wk = 0.0038314 k( 40) = ( 0.4756098 -1.1909173 -0.7045294), wk = 0.0038314 k( 41) = ( 0.4878049 -1.2214536 -0.7225942), wk = 0.0038314 k( 42) = ( 0.5000000 -1.2519899 -0.7406591), wk = 0.0038314 k( 43) = ( 0.5000000 -1.2519899 -0.7406591), wk = 0.0038314 k( 44) = ( 0.5000000 -1.2331174 -0.7725607), wk = 0.0038314 k( 45) = ( 0.5000000 -1.2142449 -0.8044622), wk = 0.0038314 k( 46) = ( 0.5000000 -1.1953724 -0.8363638), wk = 0.0038314 k( 47) = ( 0.5000000 -1.1764999 -0.8682654), wk = 0.0038314 k( 48) = ( 0.5000000 -1.1576274 -0.9001670), wk = 0.0038314 k( 49) = ( 0.5000000 -1.1387549 -0.9320685), wk = 0.0038314 k( 50) = ( 0.5000000 -1.1198824 -0.9639701), wk = 0.0038314 k( 51) = ( 0.5000000 -1.1010099 -0.9958717), wk = 0.0038314 k( 52) = ( 0.5000000 -1.0821373 -1.0277733), wk = 0.0038314 k( 53) = ( 0.5000000 -1.0632649 -1.0596748), wk = 0.0038314 k( 54) = ( 0.5000000 -1.0443923 -1.0915764), wk = 0.0038314 k( 55) = ( 0.5000000 -1.0255198 -1.1234780), wk = 0.0038314 k( 56) = ( 0.5000000 -1.0066473 -1.1553796), wk = 0.0038314 k( 57) = ( 0.5000000 -0.9877748 -1.1872811), wk = 0.0038314 k( 58) = ( 0.5000000 -0.9689023 -1.2191827), wk = 0.0038314 k( 59) = ( 0.5000000 -0.9500298 -1.2510843), wk = 0.0038314 k( 60) = ( 0.5000000 -0.9311573 -1.2829859), wk = 0.0038314 k( 61) = ( 0.5000000 -0.9122848 -1.3148875), wk = 0.0038314 k( 62) = ( 0.5000000 -0.8934123 -1.3467891), wk = 0.0038314 k( 63) = ( 0.5000000 -0.8745397 -1.3786906), wk = 0.0038314 k( 64) = ( 0.5000000 -0.8556672 -1.4105922), wk = 0.0038314 k( 65) = ( 0.5000000 -0.8367947 -1.4424938), wk = 0.0038314 k( 66) = ( 0.5000000 -0.8179222 -1.4743954), wk = 0.0038314 k( 67) = ( 0.5000000 -0.7990497 -1.5062970), wk = 0.0038314 k( 68) = ( 0.5000000 -0.7801772 -1.5381985), wk = 0.0038314 k( 69) = ( 0.8250133 -0.7176777 -1.4244377), wk = 0.0038314 k( 70) = ( 0.8179478 -0.6999858 -1.3922352), wk = 0.0038314 k( 71) = ( 0.8108823 -0.6822940 -1.3600326), wk = 0.0038314 k( 72) = ( 0.8038168 -0.6646021 -1.3278300), wk = 0.0038314 k( 73) = ( 0.7967513 -0.6469102 -1.2956275), wk = 0.0038314 k( 74) = ( 0.7896858 -0.6292183 -1.2634249), wk = 0.0038314 k( 75) = ( 0.7826203 -0.6115264 -1.2312223), wk = 0.0038314 k( 76) = ( 0.7755548 -0.5938345 -1.1990198), wk = 0.0038314 k( 77) = ( 0.7684893 -0.5761426 -1.1668172), wk = 0.0038314 k( 78) = ( 0.7614238 -0.5584508 -1.1346146), wk = 0.0038314 k( 79) = ( 0.7543583 -0.5407589 -1.1024121), wk = 0.0038314 k( 80) = ( 0.7472927 -0.5230670 -1.0702095), wk = 0.0038314 k( 81) = ( 0.7402272 -0.5053751 -1.0380069), wk = 0.0038314 k( 82) = ( 0.7331617 -0.4876832 -1.0058044), wk = 0.0038314 k( 83) = ( 0.7260962 -0.4699913 -0.9736018), wk = 0.0038314 k( 84) = ( 0.7190307 -0.4522994 -0.9413992), wk = 0.0038314 k( 85) = ( 0.7119652 -0.4346075 -0.9091967), wk = 0.0038314 k( 86) = ( 0.7048997 -0.4169157 -0.8769941), wk = 0.0038314 k( 87) = ( 0.6978342 -0.3992238 -0.8447915), wk = 0.0038314 k( 88) = ( 0.6907687 -0.3815319 -0.8125890), wk = 0.0038314 k( 89) = ( 0.6837032 -0.3638400 -0.7803864), wk = 0.0038314 k( 90) = ( 0.6766377 -0.3461481 -0.7481838), wk = 0.0038314 k( 91) = ( 0.6695722 -0.3284562 -0.7159813), wk = 0.0038314 k( 92) = ( 0.6625067 -0.3107643 -0.6837787), wk = 0.0038314 k( 93) = ( 0.6554412 -0.2930724 -0.6515761), wk = 0.0038314 k( 94) = ( 0.6483756 -0.2753805 -0.6193735), wk = 0.0038314 k( 95) = ( 0.6413101 -0.2576887 -0.5871710), wk = 0.0038314 k( 96) = ( 0.6342446 -0.2399968 -0.5549684), wk = 0.0038314 k( 97) = ( 0.6271791 -0.2223049 -0.5227658), wk = 0.0038314 k( 98) = ( 0.6201136 -0.2046130 -0.4905633), wk = 0.0038314 k( 99) = ( 0.6130481 -0.1869211 -0.4583607), wk = 0.0038314 k( 100) = ( 0.6059826 -0.1692292 -0.4261581), wk = 0.0038314 k( 101) = ( 0.5989171 -0.1515374 -0.3939556), wk = 0.0038314 k( 102) = ( 0.5918516 -0.1338455 -0.3617530), wk = 0.0038314 k( 103) = ( 0.5847861 -0.1161536 -0.3295504), wk = 0.0038314 k( 104) = ( 0.5777206 -0.0984617 -0.2973479), wk = 0.0038314 k( 105) = ( 0.5706551 -0.0807698 -0.2651453), wk = 0.0038314 k( 106) = ( 0.5635896 -0.0630779 -0.2329427), wk = 0.0038314 k( 107) = ( 0.5565241 -0.0453860 -0.2007402), wk = 0.0038314 k( 108) = ( 0.5494585 -0.0276941 -0.1685376), wk = 0.0038314 k( 109) = ( 0.5423930 -0.0100022 -0.1363350), wk = 0.0038314 k( 110) = ( 0.5353275 0.0076897 -0.1041324), wk = 0.0038314 k( 111) = ( 0.5282620 0.0253815 -0.0719299), wk = 0.0038314 k( 112) = ( 0.5211965 0.0430734 -0.0397273), wk = 0.0038314 k( 113) = ( 0.5141310 0.0607653 -0.0075247), wk = 0.0038314 k( 114) = ( 0.5070655 0.0784572 0.0246778), wk = 0.0038314 k( 115) = ( 0.5000000 0.0961491 0.0568804), wk = 0.0038314 k( 116) = ( 0.5000000 0.0961491 0.0568804), wk = 0.0038314 k( 117) = ( 0.4642857 0.0892813 0.0528175), wk = 0.0038314 k( 118) = ( 0.4285714 0.0824135 0.0487546), wk = 0.0038314 k( 119) = ( 0.3928571 0.0755457 0.0446917), wk = 0.0038314 k( 120) = ( 0.3571429 0.0686779 0.0406289), wk = 0.0038314 k( 121) = ( 0.3214286 0.0618101 0.0365660), wk = 0.0038314 k( 122) = ( 0.2857143 0.0549423 0.0325031), wk = 0.0038314 k( 123) = ( 0.2500000 0.0480745 0.0284402), wk = 0.0038314 k( 124) = ( 0.2142857 0.0412067 0.0243773), wk = 0.0038314 k( 125) = ( 0.1785714 0.0343390 0.0203144), wk = 0.0038314 k( 126) = ( 0.1428571 0.0274712 0.0162515), wk = 0.0038314 k( 127) = ( 0.1071429 0.0206034 0.0121887), wk = 0.0038314 k( 128) = ( 0.0714286 0.0137356 0.0081258), wk = 0.0038314 k( 129) = ( 0.0357143 0.0068678 0.0040629), wk = 0.0038314 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 132) = ( 0.0070311 -0.0176058 -0.0320458), wk = 0.0038314 k( 133) = ( 0.0140622 -0.0352115 -0.0640916), wk = 0.0038314 k( 134) = ( 0.0210933 -0.0528173 -0.0961374), wk = 0.0038314 k( 135) = ( 0.0281244 -0.0704231 -0.1281832), wk = 0.0038314 k( 136) = ( 0.0351556 -0.0880288 -0.1602290), wk = 0.0038314 k( 137) = ( 0.0421867 -0.1056346 -0.1922748), wk = 0.0038314 k( 138) = ( 0.0492178 -0.1232403 -0.2243206), wk = 0.0038314 k( 139) = ( 0.0562489 -0.1408461 -0.2563664), wk = 0.0038314 k( 140) = ( 0.0632800 -0.1584518 -0.2884122), wk = 0.0038314 k( 141) = ( 0.0703111 -0.1760576 -0.3204580), wk = 0.0038314 k( 142) = ( 0.0773422 -0.1936634 -0.3525038), wk = 0.0038314 k( 143) = ( 0.0843733 -0.2112691 -0.3845497), wk = 0.0038314 k( 144) = ( 0.0914044 -0.2288749 -0.4165954), wk = 0.0038314 k( 145) = ( 0.0984356 -0.2464807 -0.4486412), wk = 0.0038314 k( 146) = ( 0.1054667 -0.2640864 -0.4806870), wk = 0.0038314 k( 147) = ( 0.1124978 -0.2816922 -0.5127328), wk = 0.0038314 k( 148) = ( 0.1195289 -0.2992979 -0.5447786), wk = 0.0038314 k( 149) = ( 0.1265600 -0.3169037 -0.5768244), wk = 0.0038314 k( 150) = ( 0.1335911 -0.3345095 -0.6088702), wk = 0.0038314 k( 151) = ( 0.1406222 -0.3521152 -0.6409161), wk = 0.0038314 k( 152) = ( 0.1476533 -0.3697210 -0.6729619), wk = 0.0038314 k( 153) = ( 0.1546845 -0.3873268 -0.7050077), wk = 0.0038314 k( 154) = ( 0.1617156 -0.4049325 -0.7370535), wk = 0.0038314 k( 155) = ( 0.1687467 -0.4225383 -0.7690993), wk = 0.0038314 k( 156) = ( 0.1757778 -0.4401440 -0.8011451), wk = 0.0038314 k( 157) = ( 0.1828089 -0.4577498 -0.8331908), wk = 0.0038314 k( 158) = ( 0.1898400 -0.4753555 -0.8652366), wk = 0.0038314 k( 159) = ( 0.1968711 -0.4929613 -0.8972825), wk = 0.0038314 k( 160) = ( 0.2039022 -0.5105671 -0.9293283), wk = 0.0038314 k( 161) = ( 0.2109333 -0.5281728 -0.9613741), wk = 0.0038314 k( 162) = ( 0.2179645 -0.5457786 -0.9934199), wk = 0.0038314 k( 163) = ( 0.2249956 -0.5633844 -1.0254657), wk = 0.0038314 k( 164) = ( 0.2320267 -0.5809901 -1.0575115), wk = 0.0038314 k( 165) = ( 0.2390578 -0.5985959 -1.0895573), wk = 0.0038314 k( 166) = ( 0.2460889 -0.6162016 -1.1216031), wk = 0.0038314 k( 167) = ( 0.2531200 -0.6338074 -1.1536489), wk = 0.0038314 k( 168) = ( 0.2601511 -0.6514132 -1.1856947), wk = 0.0038314 k( 169) = ( 0.2671822 -0.6690189 -1.2177405), wk = 0.0038314 k( 170) = ( 0.2742133 -0.6866247 -1.2497863), wk = 0.0038314 k( 171) = ( 0.2812444 -0.7042304 -1.2818321), wk = 0.0038314 k( 172) = ( 0.2882756 -0.7218362 -1.3138779), wk = 0.0038314 k( 173) = ( 0.2953067 -0.7394420 -1.3459237), wk = 0.0038314 k( 174) = ( 0.3023378 -0.7570477 -1.3779695), wk = 0.0038314 k( 175) = ( 0.3093689 -0.7746535 -1.4100153), wk = 0.0038314 k( 176) = ( 0.3164000 -0.7922593 -1.4420611), wk = 0.0038314 k( 177) = ( 0.3234311 -0.8098650 -1.4741069), wk = 0.0038314 k( 178) = ( 0.3304622 -0.8274708 -1.5061527), wk = 0.0038314 k( 179) = ( 0.3374933 -0.8450765 -1.5381985), wk = 0.0038314 k( 180) = ( 0.6625067 -0.7489275 -1.4813181), wk = 0.0038314 k( 181) = ( 0.6554412 -0.7121850 -1.4813181), wk = 0.0038314 k( 182) = ( 0.6483756 -0.6754425 -1.4813181), wk = 0.0038314 k( 183) = ( 0.6413101 -0.6387001 -1.4813181), wk = 0.0038314 k( 184) = ( 0.6342446 -0.6019576 -1.4813181), wk = 0.0038314 k( 185) = ( 0.6271791 -0.5652152 -1.4813181), wk = 0.0038314 k( 186) = ( 0.6201136 -0.5284727 -1.4813181), wk = 0.0038314 k( 187) = ( 0.6130481 -0.4917303 -1.4813181), wk = 0.0038314 k( 188) = ( 0.6059826 -0.4549878 -1.4813181), wk = 0.0038314 k( 189) = ( 0.5989171 -0.4182454 -1.4813181), wk = 0.0038314 k( 190) = ( 0.5918516 -0.3815029 -1.4813181), wk = 0.0038314 k( 191) = ( 0.5847861 -0.3447604 -1.4813181), wk = 0.0038314 k( 192) = ( 0.5777206 -0.3080180 -1.4813181), wk = 0.0038314 k( 193) = ( 0.5706551 -0.2712755 -1.4813181), wk = 0.0038314 k( 194) = ( 0.5635896 -0.2345330 -1.4813181), wk = 0.0038314 k( 195) = ( 0.5565241 -0.1977906 -1.4813181), wk = 0.0038314 k( 196) = ( 0.5494585 -0.1610481 -1.4813181), wk = 0.0038314 k( 197) = ( 0.5423930 -0.1243057 -1.4813181), wk = 0.0038314 k( 198) = ( 0.5353275 -0.0875632 -1.4813181), wk = 0.0038314 k( 199) = ( 0.5282620 -0.0508208 -1.4813181), wk = 0.0038314 k( 200) = ( 0.5211965 -0.0140783 -1.4813181), wk = 0.0038314 k( 201) = ( 0.5141310 0.0226642 -1.4813181), wk = 0.0038314 k( 202) = ( 0.5070655 0.0594066 -1.4813181), wk = 0.0038314 k( 203) = ( 0.5000000 0.0961491 -1.4813181), wk = 0.0038314 k( 204) = ( 0.5000000 0.0961491 -1.4813181), wk = 0.0038314 k( 205) = ( 0.5325013 0.1023990 -1.4699420), wk = 0.0038314 k( 206) = ( 0.5650027 0.1086490 -1.4585660), wk = 0.0038314 k( 207) = ( 0.5975040 0.1148989 -1.4471899), wk = 0.0038314 k( 208) = ( 0.6300053 0.1211489 -1.4358138), wk = 0.0038314 k( 209) = ( 0.6625067 0.1273988 -1.4244377), wk = 0.0038314 k( 210) = ( 0.6625067 0.1273988 -1.4244377), wk = 0.0038314 k( 211) = ( 0.6584440 0.1266176 -1.3874048), wk = 0.0038314 k( 212) = ( 0.6543813 0.1258363 -1.3503718), wk = 0.0038314 k( 213) = ( 0.6503187 0.1250551 -1.3133389), wk = 0.0038314 k( 214) = ( 0.6462560 0.1242738 -1.2763059), wk = 0.0038314 k( 215) = ( 0.6421933 0.1234926 -1.2392730), wk = 0.0038314 k( 216) = ( 0.6381307 0.1227113 -1.2022400), wk = 0.0038314 k( 217) = ( 0.6340680 0.1219301 -1.1652071), wk = 0.0038314 k( 218) = ( 0.6300053 0.1211489 -1.1281741), wk = 0.0038314 k( 219) = ( 0.6259427 0.1203676 -1.0911411), wk = 0.0038314 k( 220) = ( 0.6218800 0.1195864 -1.0541082), wk = 0.0038314 k( 221) = ( 0.6178173 0.1188051 -1.0170752), wk = 0.0038314 k( 222) = ( 0.6137547 0.1180239 -0.9800423), wk = 0.0038314 k( 223) = ( 0.6096920 0.1172426 -0.9430093), wk = 0.0038314 k( 224) = ( 0.6056293 0.1164614 -0.9059764), wk = 0.0038314 k( 225) = ( 0.6015667 0.1156802 -0.8689434), wk = 0.0038314 k( 226) = ( 0.5975040 0.1148989 -0.8319105), wk = 0.0038314 k( 227) = ( 0.5934413 0.1141177 -0.7948775), wk = 0.0038314 k( 228) = ( 0.5893787 0.1133364 -0.7578445), wk = 0.0038314 k( 229) = ( 0.5853160 0.1125552 -0.7208116), wk = 0.0038314 k( 230) = ( 0.5812533 0.1117739 -0.6837787), wk = 0.0038314 k( 231) = ( 0.5771907 0.1109927 -0.6467457), wk = 0.0038314 k( 232) = ( 0.5731280 0.1102115 -0.6097128), wk = 0.0038314 k( 233) = ( 0.5690653 0.1094302 -0.5726798), wk = 0.0038314 k( 234) = ( 0.5650027 0.1086490 -0.5356469), wk = 0.0038314 k( 235) = ( 0.5609400 0.1078677 -0.4986139), wk = 0.0038314 k( 236) = ( 0.5568773 0.1070865 -0.4615809), wk = 0.0038314 k( 237) = ( 0.5528147 0.1063052 -0.4245480), wk = 0.0038314 k( 238) = ( 0.5487520 0.1055240 -0.3875151), wk = 0.0038314 k( 239) = ( 0.5446893 0.1047428 -0.3504821), wk = 0.0038314 k( 240) = ( 0.5406267 0.1039615 -0.3134491), wk = 0.0038314 k( 241) = ( 0.5365640 0.1031803 -0.2764162), wk = 0.0038314 k( 242) = ( 0.5325013 0.1023990 -0.2393832), wk = 0.0038314 k( 243) = ( 0.5284387 0.1016178 -0.2023503), wk = 0.0038314 k( 244) = ( 0.5243760 0.1008365 -0.1653173), wk = 0.0038314 k( 245) = ( 0.5203133 0.1000553 -0.1282843), wk = 0.0038314 k( 246) = ( 0.5162507 0.0992741 -0.0912514), wk = 0.0038314 k( 247) = ( 0.5121880 0.0984928 -0.0542185), wk = 0.0038314 k( 248) = ( 0.5081253 0.0977116 -0.0171855), wk = 0.0038314 k( 249) = ( 0.5040627 0.0969303 0.0198474), wk = 0.0038314 k( 250) = ( 0.5000000 0.0961491 0.0568804), wk = 0.0038314 k( 251) = ( 0.5000000 -1.2519899 -0.7406591), wk = 0.0038314 k( 252) = ( 0.5325013 -1.2423750 -0.7349710), wk = 0.0038314 k( 253) = ( 0.5650027 -1.2327601 -0.7292830), wk = 0.0038314 k( 254) = ( 0.5975040 -1.2231452 -0.7235950), wk = 0.0038314 k( 255) = ( 0.6300053 -1.2135303 -0.7179069), wk = 0.0038314 k( 256) = ( 0.6625067 -1.2039154 -0.7122189), wk = 0.0038314 k( 257) = ( 0.6950080 -1.1943005 -0.7065308), wk = 0.0038314 k( 258) = ( 0.7275093 -1.1846856 -0.7008428), wk = 0.0038314 k( 259) = ( 0.7600107 -1.1750707 -0.6951547), wk = 0.0038314 k( 260) = ( 0.7925120 -1.1654558 -0.6894667), wk = 0.0038314 k( 261) = ( 0.8250133 -1.1558409 -0.6837787), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0038314 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0038314 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0038314 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0038314 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0038314 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0038314 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0038314 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0038314 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0038314 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0038314 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0038314 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0038314 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0038314 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0038314 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0038314 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0038314 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0038314 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0038314 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0038314 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0038314 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0038314 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0038314 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0038314 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0038314 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0038314 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0038314 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0038314 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0038314 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0038314 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0038314 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0038314 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0038314 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0038314 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0038314 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0038314 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0038314 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0038314 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0038314 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0038314 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0038314 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038314 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038314 k( 44) = ( 0.5000000 0.0069995 -0.0069995), wk = 0.0038314 k( 45) = ( 0.5000000 0.0139989 -0.0139989), wk = 0.0038314 k( 46) = ( 0.5000000 0.0209984 -0.0209984), wk = 0.0038314 k( 47) = ( 0.5000000 0.0279979 -0.0279979), wk = 0.0038314 k( 48) = ( 0.5000000 0.0349973 -0.0349973), wk = 0.0038314 k( 49) = ( 0.5000000 0.0419968 -0.0419968), wk = 0.0038314 k( 50) = ( 0.5000000 0.0489963 -0.0489963), wk = 0.0038314 k( 51) = ( 0.5000000 0.0559957 -0.0559957), wk = 0.0038314 k( 52) = ( 0.5000000 0.0629952 -0.0629952), wk = 0.0038314 k( 53) = ( 0.5000000 0.0699947 -0.0699947), wk = 0.0038314 k( 54) = ( 0.5000000 0.0769941 -0.0769941), wk = 0.0038314 k( 55) = ( 0.5000000 0.0839936 -0.0839936), wk = 0.0038314 k( 56) = ( 0.5000000 0.0909931 -0.0909931), wk = 0.0038314 k( 57) = ( 0.5000000 0.0979925 -0.0979925), wk = 0.0038314 k( 58) = ( 0.5000000 0.1049920 -0.1049920), wk = 0.0038314 k( 59) = ( 0.5000000 0.1119915 -0.1119915), wk = 0.0038314 k( 60) = ( 0.5000000 0.1189909 -0.1189909), wk = 0.0038314 k( 61) = ( 0.5000000 0.1259904 -0.1259904), wk = 0.0038314 k( 62) = ( 0.5000000 0.1329899 -0.1329899), wk = 0.0038314 k( 63) = ( 0.5000000 0.1399894 -0.1399893), wk = 0.0038314 k( 64) = ( 0.5000000 0.1469888 -0.1469888), wk = 0.0038314 k( 65) = ( 0.5000000 0.1539883 -0.1539883), wk = 0.0038314 k( 66) = ( 0.5000000 0.1609878 -0.1609878), wk = 0.0038314 k( 67) = ( 0.5000000 0.1679872 -0.1679872), wk = 0.0038314 k( 68) = ( 0.5000000 0.1749867 -0.1749867), wk = 0.0038314 k( 69) = ( 0.8250133 0.5000000 0.1749867), wk = 0.0038314 k( 70) = ( 0.8179478 0.5000000 0.1820522), wk = 0.0038314 k( 71) = ( 0.8108823 0.5000000 0.1891177), wk = 0.0038314 k( 72) = ( 0.8038168 0.5000000 0.1961832), wk = 0.0038314 k( 73) = ( 0.7967513 0.5000000 0.2032487), wk = 0.0038314 k( 74) = ( 0.7896858 0.5000000 0.2103142), wk = 0.0038314 k( 75) = ( 0.7826203 0.5000000 0.2173797), wk = 0.0038314 k( 76) = ( 0.7755548 0.5000000 0.2244452), wk = 0.0038314 k( 77) = ( 0.7684893 0.5000000 0.2315107), wk = 0.0038314 k( 78) = ( 0.7614238 0.5000000 0.2385762), wk = 0.0038314 k( 79) = ( 0.7543583 0.5000000 0.2456417), wk = 0.0038314 k( 80) = ( 0.7472927 0.5000000 0.2527073), wk = 0.0038314 k( 81) = ( 0.7402272 0.5000000 0.2597728), wk = 0.0038314 k( 82) = ( 0.7331617 0.5000000 0.2668383), wk = 0.0038314 k( 83) = ( 0.7260962 0.5000000 0.2739038), wk = 0.0038314 k( 84) = ( 0.7190307 0.5000000 0.2809693), wk = 0.0038314 k( 85) = ( 0.7119652 0.5000000 0.2880348), wk = 0.0038314 k( 86) = ( 0.7048997 0.5000000 0.2951003), wk = 0.0038314 k( 87) = ( 0.6978342 0.5000000 0.3021658), wk = 0.0038314 k( 88) = ( 0.6907687 0.5000000 0.3092313), wk = 0.0038314 k( 89) = ( 0.6837032 0.5000000 0.3162968), wk = 0.0038314 k( 90) = ( 0.6766377 0.5000000 0.3233623), wk = 0.0038314 k( 91) = ( 0.6695722 0.5000000 0.3304278), wk = 0.0038314 k( 92) = ( 0.6625067 0.5000000 0.3374933), wk = 0.0038314 k( 93) = ( 0.6554412 0.5000000 0.3445589), wk = 0.0038314 k( 94) = ( 0.6483756 0.5000000 0.3516244), wk = 0.0038314 k( 95) = ( 0.6413101 0.5000000 0.3586899), wk = 0.0038314 k( 96) = ( 0.6342446 0.5000000 0.3657554), wk = 0.0038314 k( 97) = ( 0.6271791 0.5000000 0.3728209), wk = 0.0038314 k( 98) = ( 0.6201136 0.5000000 0.3798864), wk = 0.0038314 k( 99) = ( 0.6130481 0.5000000 0.3869519), wk = 0.0038314 k( 100) = ( 0.6059826 0.5000000 0.3940174), wk = 0.0038314 k( 101) = ( 0.5989171 0.5000000 0.4010829), wk = 0.0038314 k( 102) = ( 0.5918516 0.5000000 0.4081484), wk = 0.0038314 k( 103) = ( 0.5847861 0.5000000 0.4152139), wk = 0.0038314 k( 104) = ( 0.5777206 0.5000000 0.4222794), wk = 0.0038314 k( 105) = ( 0.5706551 0.5000000 0.4293449), wk = 0.0038314 k( 106) = ( 0.5635896 0.5000000 0.4364104), wk = 0.0038314 k( 107) = ( 0.5565241 0.5000000 0.4434759), wk = 0.0038314 k( 108) = ( 0.5494585 0.5000000 0.4505414), wk = 0.0038314 k( 109) = ( 0.5423930 0.5000000 0.4576070), wk = 0.0038314 k( 110) = ( 0.5353275 0.5000000 0.4646725), wk = 0.0038314 k( 111) = ( 0.5282620 0.5000000 0.4717380), wk = 0.0038314 k( 112) = ( 0.5211965 0.5000000 0.4788035), wk = 0.0038314 k( 113) = ( 0.5141310 0.5000000 0.4858690), wk = 0.0038314 k( 114) = ( 0.5070655 0.5000000 0.4929345), wk = 0.0038314 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 117) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0038314 k( 118) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0038314 k( 119) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0038314 k( 120) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0038314 k( 121) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0038314 k( 122) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0038314 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 k( 124) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0038314 k( 125) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0038314 k( 126) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0038314 k( 127) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0038314 k( 128) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0038314 k( 129) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0038314 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 132) = ( 0.0070311 0.0000000 -0.0070311), wk = 0.0038314 k( 133) = ( 0.0140622 0.0000000 -0.0140622), wk = 0.0038314 k( 134) = ( 0.0210933 0.0000000 -0.0210933), wk = 0.0038314 k( 135) = ( 0.0281244 0.0000000 -0.0281245), wk = 0.0038314 k( 136) = ( 0.0351556 0.0000000 -0.0351556), wk = 0.0038314 k( 137) = ( 0.0421867 0.0000000 -0.0421867), wk = 0.0038314 k( 138) = ( 0.0492178 0.0000000 -0.0492178), wk = 0.0038314 k( 139) = ( 0.0562489 0.0000000 -0.0562489), wk = 0.0038314 k( 140) = ( 0.0632800 0.0000000 -0.0632800), wk = 0.0038314 k( 141) = ( 0.0703111 0.0000000 -0.0703111), wk = 0.0038314 k( 142) = ( 0.0773422 0.0000000 -0.0773422), wk = 0.0038314 k( 143) = ( 0.0843733 0.0000000 -0.0843733), wk = 0.0038314 k( 144) = ( 0.0914044 0.0000000 -0.0914045), wk = 0.0038314 k( 145) = ( 0.0984356 0.0000000 -0.0984356), wk = 0.0038314 k( 146) = ( 0.1054667 0.0000000 -0.1054667), wk = 0.0038314 k( 147) = ( 0.1124978 0.0000000 -0.1124978), wk = 0.0038314 k( 148) = ( 0.1195289 0.0000000 -0.1195289), wk = 0.0038314 k( 149) = ( 0.1265600 0.0000000 -0.1265600), wk = 0.0038314 k( 150) = ( 0.1335911 0.0000000 -0.1335911), wk = 0.0038314 k( 151) = ( 0.1406222 0.0000000 -0.1406222), wk = 0.0038314 k( 152) = ( 0.1476533 0.0000000 -0.1476533), wk = 0.0038314 k( 153) = ( 0.1546845 0.0000000 -0.1546844), wk = 0.0038314 k( 154) = ( 0.1617156 0.0000000 -0.1617156), wk = 0.0038314 k( 155) = ( 0.1687467 0.0000000 -0.1687467), wk = 0.0038314 k( 156) = ( 0.1757778 0.0000000 -0.1757778), wk = 0.0038314 k( 157) = ( 0.1828089 0.0000000 -0.1828089), wk = 0.0038314 k( 158) = ( 0.1898400 0.0000000 -0.1898400), wk = 0.0038314 k( 159) = ( 0.1968711 0.0000000 -0.1968711), wk = 0.0038314 k( 160) = ( 0.2039022 0.0000000 -0.2039022), wk = 0.0038314 k( 161) = ( 0.2109333 0.0000000 -0.2109333), wk = 0.0038314 k( 162) = ( 0.2179645 0.0000000 -0.2179645), wk = 0.0038314 k( 163) = ( 0.2249956 0.0000000 -0.2249956), wk = 0.0038314 k( 164) = ( 0.2320267 0.0000000 -0.2320267), wk = 0.0038314 k( 165) = ( 0.2390578 0.0000000 -0.2390578), wk = 0.0038314 k( 166) = ( 0.2460889 0.0000000 -0.2460889), wk = 0.0038314 k( 167) = ( 0.2531200 0.0000000 -0.2531200), wk = 0.0038314 k( 168) = ( 0.2601511 0.0000000 -0.2601511), wk = 0.0038314 k( 169) = ( 0.2671822 0.0000000 -0.2671822), wk = 0.0038314 k( 170) = ( 0.2742133 0.0000000 -0.2742133), wk = 0.0038314 k( 171) = ( 0.2812444 0.0000000 -0.2812444), wk = 0.0038314 k( 172) = ( 0.2882756 0.0000000 -0.2882756), wk = 0.0038314 k( 173) = ( 0.2953067 0.0000000 -0.2953067), wk = 0.0038314 k( 174) = ( 0.3023378 0.0000000 -0.3023378), wk = 0.0038314 k( 175) = ( 0.3093689 0.0000000 -0.3093689), wk = 0.0038314 k( 176) = ( 0.3164000 0.0000000 -0.3164000), wk = 0.0038314 k( 177) = ( 0.3234311 0.0000000 -0.3234311), wk = 0.0038314 k( 178) = ( 0.3304622 0.0000000 -0.3304622), wk = 0.0038314 k( 179) = ( 0.3374933 0.0000000 -0.3374933), wk = 0.0038314 k( 180) = ( 0.6625067 0.3374933 -0.0000000), wk = 0.0038314 k( 181) = ( 0.6554412 0.3445589 0.0000000), wk = 0.0038314 k( 182) = ( 0.6483756 0.3516244 0.0000000), wk = 0.0038314 k( 183) = ( 0.6413101 0.3586899 0.0000000), wk = 0.0038314 k( 184) = ( 0.6342446 0.3657554 0.0000000), wk = 0.0038314 k( 185) = ( 0.6271791 0.3728209 0.0000000), wk = 0.0038314 k( 186) = ( 0.6201136 0.3798864 0.0000000), wk = 0.0038314 k( 187) = ( 0.6130481 0.3869519 -0.0000000), wk = 0.0038314 k( 188) = ( 0.6059826 0.3940174 0.0000000), wk = 0.0038314 k( 189) = ( 0.5989171 0.4010829 0.0000000), wk = 0.0038314 k( 190) = ( 0.5918516 0.4081484 0.0000000), wk = 0.0038314 k( 191) = ( 0.5847861 0.4152139 0.0000000), wk = 0.0038314 k( 192) = ( 0.5777206 0.4222794 -0.0000000), wk = 0.0038314 k( 193) = ( 0.5706551 0.4293449 0.0000000), wk = 0.0038314 k( 194) = ( 0.5635896 0.4364104 -0.0000000), wk = 0.0038314 k( 195) = ( 0.5565241 0.4434759 0.0000000), wk = 0.0038314 k( 196) = ( 0.5494585 0.4505415 -0.0000000), wk = 0.0038314 k( 197) = ( 0.5423930 0.4576070 0.0000000), wk = 0.0038314 k( 198) = ( 0.5353275 0.4646725 -0.0000000), wk = 0.0038314 k( 199) = ( 0.5282620 0.4717380 -0.0000000), wk = 0.0038314 k( 200) = ( 0.5211965 0.4788035 -0.0000000), wk = 0.0038314 k( 201) = ( 0.5141310 0.4858690 -0.0000000), wk = 0.0038314 k( 202) = ( 0.5070655 0.4929345 0.0000000), wk = 0.0038314 k( 203) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 204) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038314 k( 205) = ( 0.5325013 0.5325013 0.0349973), wk = 0.0038314 k( 206) = ( 0.5650027 0.5650027 0.0699947), wk = 0.0038314 k( 207) = ( 0.5975040 0.5975040 0.1049920), wk = 0.0038314 k( 208) = ( 0.6300053 0.6300053 0.1399893), wk = 0.0038314 k( 209) = ( 0.6625067 0.6625067 0.1749867), wk = 0.0038314 k( 210) = ( 0.6625067 0.6625067 0.1749867), wk = 0.0038314 k( 211) = ( 0.6584440 0.6584440 0.1831120), wk = 0.0038314 k( 212) = ( 0.6543813 0.6543813 0.1912374), wk = 0.0038314 k( 213) = ( 0.6503187 0.6503187 0.1993627), wk = 0.0038314 k( 214) = ( 0.6462560 0.6462560 0.2074880), wk = 0.0038314 k( 215) = ( 0.6421933 0.6421933 0.2156133), wk = 0.0038314 k( 216) = ( 0.6381307 0.6381307 0.2237387), wk = 0.0038314 k( 217) = ( 0.6340680 0.6340680 0.2318640), wk = 0.0038314 k( 218) = ( 0.6300053 0.6300053 0.2399893), wk = 0.0038314 k( 219) = ( 0.6259427 0.6259427 0.2481147), wk = 0.0038314 k( 220) = ( 0.6218800 0.6218800 0.2562400), wk = 0.0038314 k( 221) = ( 0.6178173 0.6178173 0.2643654), wk = 0.0038314 k( 222) = ( 0.6137547 0.6137547 0.2724907), wk = 0.0038314 k( 223) = ( 0.6096920 0.6096920 0.2806160), wk = 0.0038314 k( 224) = ( 0.6056293 0.6056293 0.2887413), wk = 0.0038314 k( 225) = ( 0.6015667 0.6015667 0.2968667), wk = 0.0038314 k( 226) = ( 0.5975040 0.5975040 0.3049920), wk = 0.0038314 k( 227) = ( 0.5934413 0.5934413 0.3131173), wk = 0.0038314 k( 228) = ( 0.5893787 0.5893787 0.3212427), wk = 0.0038314 k( 229) = ( 0.5853160 0.5853160 0.3293680), wk = 0.0038314 k( 230) = ( 0.5812533 0.5812533 0.3374933), wk = 0.0038314 k( 231) = ( 0.5771907 0.5771907 0.3456187), wk = 0.0038314 k( 232) = ( 0.5731280 0.5731280 0.3537440), wk = 0.0038314 k( 233) = ( 0.5690653 0.5690653 0.3618693), wk = 0.0038314 k( 234) = ( 0.5650027 0.5650027 0.3699947), wk = 0.0038314 k( 235) = ( 0.5609400 0.5609400 0.3781200), wk = 0.0038314 k( 236) = ( 0.5568773 0.5568773 0.3862453), wk = 0.0038314 k( 237) = ( 0.5528147 0.5528147 0.3943707), wk = 0.0038314 k( 238) = ( 0.5487520 0.5487520 0.4024960), wk = 0.0038314 k( 239) = ( 0.5446893 0.5446893 0.4106213), wk = 0.0038314 k( 240) = ( 0.5406267 0.5406267 0.4187467), wk = 0.0038314 k( 241) = ( 0.5365640 0.5365640 0.4268720), wk = 0.0038314 k( 242) = ( 0.5325013 0.5325013 0.4349973), wk = 0.0038314 k( 243) = ( 0.5284387 0.5284387 0.4431227), wk = 0.0038314 k( 244) = ( 0.5243760 0.5243760 0.4512480), wk = 0.0038314 k( 245) = ( 0.5203133 0.5203133 0.4593733), wk = 0.0038314 k( 246) = ( 0.5162507 0.5162507 0.4674987), wk = 0.0038314 k( 247) = ( 0.5121880 0.5121880 0.4756240), wk = 0.0038314 k( 248) = ( 0.5081253 0.5081253 0.4837493), wk = 0.0038314 k( 249) = ( 0.5040627 0.5040627 0.4918747), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 251) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038314 k( 252) = ( 0.5325013 0.0337493 0.0337493), wk = 0.0038314 k( 253) = ( 0.5650027 0.0674987 0.0674987), wk = 0.0038314 k( 254) = ( 0.5975040 0.1012480 0.1012480), wk = 0.0038314 k( 255) = ( 0.6300053 0.1349973 0.1349973), wk = 0.0038314 k( 256) = ( 0.6625067 0.1687467 0.1687467), wk = 0.0038314 k( 257) = ( 0.6950080 0.2024960 0.2024960), wk = 0.0038314 k( 258) = ( 0.7275093 0.2362453 0.2362453), wk = 0.0038314 k( 259) = ( 0.7600107 0.2699947 0.2699947), wk = 0.0038314 k( 260) = ( 0.7925120 0.3037440 0.3037440), wk = 0.0038314 k( 261) = ( 0.8250133 0.3374933 0.3374933), wk = 0.0038314 Dense grid: 105679 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 65865 G-vectors FFT dimensions: ( 108, 108, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 350, 58) NL pseudopotentials 0.44 Mb ( 175, 164) Each V/rho on FFT grid 0.66 Mb ( 43200) Each G-vector array 0.02 Mb ( 2201) G-vector shells 0.01 Mb ( 1906) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.24 Mb ( 350, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 60.7 secs Computing kpt #: 2 total cpu time spent up to now is 81.1 secs Computing kpt #: 3 total cpu time spent up to now is 101.3 secs Computing kpt #: 4 total cpu time spent up to now is 121.8 secs Computing kpt #: 5 total cpu time spent up to now is 142.2 secs Computing kpt #: 6 total cpu time spent up to now is 162.4 secs Computing kpt #: 7 total cpu time spent up to now is 182.4 secs Computing kpt #: 8 total cpu time spent up to now is 202.5 secs Computing kpt #: 9 total cpu time spent up to now is 224.1 secs Computing kpt #: 10 total cpu time spent up to now is 245.6 secs Computing kpt #: 11 total cpu time spent up to now is 270.2 secs Computing kpt #: 12 total cpu time spent up to now is 289.9 secs Computing kpt #: 13 total cpu time spent up to now is 310.0 secs Computing kpt #: 14 total cpu time spent up to now is 329.6 secs Computing kpt #: 15 total cpu time spent up to now is 352.2 secs Computing kpt #: 16 total cpu time spent up to now is 374.4 secs Computing kpt #: 17 total cpu time spent up to now is 395.9 secs Computing kpt #: 18 total cpu time spent up to now is 417.7 secs Computing kpt #: 19 total cpu time spent up to now is 439.7 secs Computing kpt #: 20 total cpu time spent up to now is 461.2 secs Computing kpt #: 21 total cpu time spent up to now is 482.9 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.2 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.4 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.9 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.5 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 617.9 secs Computing kpt #: 28 total cpu time spent up to now is 636.5 secs Computing kpt #: 29 total cpu time spent up to now is 658.3 secs Computing kpt #: 30 total cpu time spent up to now is 676.7 secs Computing kpt #: 31 total cpu time spent up to now is 698.0 secs Computing kpt #: 32 total cpu time spent up to now is 716.2 secs Computing kpt #: 33 total cpu time spent up to now is 734.5 secs Computing kpt #: 34 total cpu time spent up to now is 754.0 secs Computing kpt #: 35 total cpu time spent up to now is 771.9 secs Computing kpt #: 36 total cpu time spent up to now is 793.6 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 815.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.6 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 862.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 884.7 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 906.8 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 929.4 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 951.9 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.9 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 996.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1018.8 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.1 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1063.5 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.0 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.8 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1133.0 secs Computing kpt #: 52 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1157.4 secs Computing kpt #: 53 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1181.5 secs Computing kpt #: 54 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1205.1 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1228.3 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1250.6 secs Computing kpt #: 57 total cpu time spent up to now is 1272.6 secs Computing kpt #: 58 total cpu time spent up to now is 1292.2 secs Computing kpt #: 59 total cpu time spent up to now is 1312.1 secs Computing kpt #: 60 total cpu time spent up to now is 1330.3 secs Computing kpt #: 61 total cpu time spent up to now is 1349.7 secs Computing kpt #: 62 total cpu time spent up to now is 1369.4 secs Computing kpt #: 63 total cpu time spent up to now is 1390.8 secs Computing kpt #: 64 total cpu time spent up to now is 1410.1 secs Computing kpt #: 65 total cpu time spent up to now is 1431.3 secs Computing kpt #: 66 total cpu time spent up to now is 1452.6 secs Computing kpt #: 67 total cpu time spent up to now is 1474.9 secs Computing kpt #: 68 total cpu time spent up to now is 1494.1 secs Computing kpt #: 69 total cpu time spent up to now is 1515.5 secs Computing kpt #: 70 total cpu time spent up to now is 1536.8 secs Computing kpt #: 71 total cpu time spent up to now is 1556.3 secs Computing kpt #: 72 total cpu time spent up to now is 1575.9 secs Computing kpt #: 73 total cpu time spent up to now is 1595.1 secs Computing kpt #: 74 total cpu time spent up to now is 1612.9 secs Computing kpt #: 75 total cpu time spent up to now is 1632.0 secs Computing kpt #: 76 total cpu time spent up to now is 1649.2 secs Computing kpt #: 77 total cpu time spent up to now is 1665.4 secs Computing kpt #: 78 total cpu time spent up to now is 1681.8 secs Computing kpt #: 79 total cpu time spent up to now is 1698.1 secs Computing kpt #: 80 total cpu time spent up to now is 1714.4 secs Computing kpt #: 81 total cpu time spent up to now is 1730.5 secs Computing kpt #: 82 total cpu time spent up to now is 1746.6 secs Computing kpt #: 83 total cpu time spent up to now is 1765.8 secs Computing kpt #: 84 total cpu time spent up to now is 1783.0 secs Computing kpt #: 85 total cpu time spent up to now is 1800.4 secs Computing kpt #: 86 total cpu time spent up to now is 1818.4 secs Computing kpt #: 87 total cpu time spent up to now is 1836.0 secs Computing kpt #: 88 total cpu time spent up to now is 1857.6 secs Computing kpt #: 89 total cpu time spent up to now is 1875.7 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1897.7 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1920.0 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1942.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1964.5 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1986.6 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2008.6 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2031.0 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2053.4 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2077.0 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2099.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2121.5 secs Computing kpt #: 101 total cpu time spent up to now is 2141.5 secs Computing kpt #: 102 total cpu time spent up to now is 2162.9 secs Computing kpt #: 103 total cpu time spent up to now is 2183.2 secs Computing kpt #: 104 total cpu time spent up to now is 2203.0 secs Computing kpt #: 105 total cpu time spent up to now is 2223.0 secs Computing kpt #: 106 total cpu time spent up to now is 2242.8 secs Computing kpt #: 107 total cpu time spent up to now is 2262.4 secs Computing kpt #: 108 total cpu time spent up to now is 2282.0 secs Computing kpt #: 109 total cpu time spent up to now is 2300.4 secs Computing kpt #: 110 total cpu time spent up to now is 2319.0 secs Computing kpt #: 111 total cpu time spent up to now is 2337.4 secs Computing kpt #: 112 total cpu time spent up to now is 2358.3 secs Computing kpt #: 113 total cpu time spent up to now is 2378.3 secs Computing kpt #: 114 total cpu time spent up to now is 2398.4 secs Computing kpt #: 115 total cpu time spent up to now is 2418.4 secs Computing kpt #: 116 total cpu time spent up to now is 2438.5 secs Computing kpt #: 117 total cpu time spent up to now is 2458.5 secs Computing kpt #: 118 total cpu time spent up to now is 2478.6 secs Computing kpt #: 119 total cpu time spent up to now is 2498.4 secs Computing kpt #: 120 total cpu time spent up to now is 2518.8 secs Computing kpt #: 121 total cpu time spent up to now is 2538.6 secs Computing kpt #: 122 total cpu time spent up to now is 2558.5 secs Computing kpt #: 123 total cpu time spent up to now is 2578.6 secs Computing kpt #: 124 total cpu time spent up to now is 2598.3 secs Computing kpt #: 125 total cpu time spent up to now is 2617.9 secs Computing kpt #: 126 total cpu time spent up to now is 2637.8 secs Computing kpt #: 127 total cpu time spent up to now is 2659.3 secs Computing kpt #: 128 total cpu time spent up to now is 2680.4 secs Computing kpt #: 129 total cpu time spent up to now is 2700.2 secs Computing kpt #: 130 total cpu time spent up to now is 2719.9 secs Computing kpt #: 131 total cpu time spent up to now is 2739.7 secs Computing kpt #: 132 total cpu time spent up to now is 2759.6 secs Computing kpt #: 133 total cpu time spent up to now is 2779.7 secs Computing kpt #: 134 total cpu time spent up to now is 2799.9 secs Computing kpt #: 135 total cpu time spent up to now is 2820.8 secs Computing kpt #: 136 total cpu time spent up to now is 2841.0 secs Computing kpt #: 137 total cpu time spent up to now is 2860.9 secs Computing kpt #: 138 total cpu time spent up to now is 2881.0 secs Computing kpt #: 139 total cpu time spent up to now is 2902.5 secs Computing kpt #: 140 total cpu time spent up to now is 2924.0 secs Computing kpt #: 141 total cpu time spent up to now is 2943.4 secs Computing kpt #: 142 total cpu time spent up to now is 2964.2 secs Computing kpt #: 143 total cpu time spent up to now is 2986.5 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3008.9 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3031.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3053.7 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3076.2 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3098.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3121.6 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3143.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3166.3 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3188.7 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3211.1 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3233.3 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3255.9 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3280.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3302.4 secs Computing kpt #: 158 total cpu time spent up to now is 3320.6 secs Computing kpt #: 159 total cpu time spent up to now is 3338.9 secs Computing kpt #: 160 total cpu time spent up to now is 3356.7 secs Computing kpt #: 161 total cpu time spent up to now is 3374.4 secs Computing kpt #: 162 total cpu time spent up to now is 3392.1 secs Computing kpt #: 163 total cpu time spent up to now is 3409.7 secs Computing kpt #: 164 total cpu time spent up to now is 3427.5 secs Computing kpt #: 165 total cpu time spent up to now is 3445.0 secs Computing kpt #: 166 total cpu time spent up to now is 3462.5 secs Computing kpt #: 167 total cpu time spent up to now is 3480.0 secs Computing kpt #: 168 total cpu time spent up to now is 3496.4 secs Computing kpt #: 169 total cpu time spent up to now is 3514.1 secs Computing kpt #: 170 total cpu time spent up to now is 3532.2 secs Computing kpt #: 171 total cpu time spent up to now is 3549.8 secs Computing kpt #: 172 total cpu time spent up to now is 3572.2 secs Computing kpt #: 173 total cpu time spent up to now is 3591.5 secs Computing kpt #: 174 total cpu time spent up to now is 3611.2 secs Computing kpt #: 175 total cpu time spent up to now is 3632.8 secs Computing kpt #: 176 total cpu time spent up to now is 3651.9 secs Computing kpt #: 177 total cpu time spent up to now is 3673.1 secs Computing kpt #: 178 total cpu time spent up to now is 3694.5 secs Computing kpt #: 179 total cpu time spent up to now is 3715.7 secs Computing kpt #: 180 total cpu time spent up to now is 3737.1 secs Computing kpt #: 181 total cpu time spent up to now is 3755.4 secs Computing kpt #: 182 total cpu time spent up to now is 3776.8 secs Computing kpt #: 183 total cpu time spent up to now is 3798.4 secs Computing kpt #: 184 total cpu time spent up to now is 3816.7 secs Computing kpt #: 185 total cpu time spent up to now is 3834.3 secs Computing kpt #: 186 total cpu time spent up to now is 3852.2 secs Computing kpt #: 187 total cpu time spent up to now is 3873.0 secs Computing kpt #: 188 total cpu time spent up to now is 3890.7 secs Computing kpt #: 189 total cpu time spent up to now is 3908.3 secs Computing kpt #: 190 total cpu time spent up to now is 3926.1 secs Computing kpt #: 191 total cpu time spent up to now is 3943.9 secs Computing kpt #: 192 total cpu time spent up to now is 3963.1 secs Computing kpt #: 193 total cpu time spent up to now is 3981.0 secs Computing kpt #: 194 total cpu time spent up to now is 3998.6 secs Computing kpt #: 195 total cpu time spent up to now is 4017.9 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4040.0 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4061.5 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4083.4 secs Computing kpt #: 199 total cpu time spent up to now is 4104.6 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4126.5 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4147.9 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4171.0 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4192.3 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4213.9 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4235.5 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4257.6 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4279.4 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4301.3 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4323.3 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4345.1 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4366.8 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4388.4 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4410.2 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4432.2 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4454.1 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4478.8 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4500.5 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4522.5 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4544.2 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4566.1 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4588.0 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4609.9 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4632.1 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4654.0 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4675.8 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4697.7 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4719.9 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4741.8 secs Computing kpt #: 229 total cpu time spent up to now is 4765.6 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4787.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4809.0 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4831.0 secs Computing kpt #: 233 total cpu time spent up to now is 4852.2 secs Computing kpt #: 234 total cpu time spent up to now is 4872.1 secs Computing kpt #: 235 total cpu time spent up to now is 4891.9 secs Computing kpt #: 236 total cpu time spent up to now is 4911.5 secs Computing kpt #: 237 total cpu time spent up to now is 4933.2 secs Computing kpt #: 238 total cpu time spent up to now is 4953.4 secs Computing kpt #: 239 total cpu time spent up to now is 4972.7 secs Computing kpt #: 240 total cpu time spent up to now is 4991.2 secs Computing kpt #: 241 total cpu time spent up to now is 5010.5 secs Computing kpt #: 242 total cpu time spent up to now is 5028.9 secs Computing kpt #: 243 total cpu time spent up to now is 5048.6 secs Computing kpt #: 244 total cpu time spent up to now is 5069.7 secs Computing kpt #: 245 total cpu time spent up to now is 5088.1 secs Computing kpt #: 246 total cpu time spent up to now is 5108.0 secs Computing kpt #: 247 total cpu time spent up to now is 5126.5 secs Computing kpt #: 248 total cpu time spent up to now is 5146.1 secs Computing kpt #: 249 total cpu time spent up to now is 5166.1 secs Computing kpt #: 250 total cpu time spent up to now is 5186.2 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5207.9 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5230.1 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5252.7 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5274.6 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5296.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5318.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5340.6 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5363.6 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5385.5 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5407.4 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5429.1 secs ethr = 2.08E-11, avg # of iterations = 98.5 total cpu time spent up to now is 5429.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8275 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3963 -1.3963 -0.0421 -0.0421 0.4223 0.4223 0.8027 0.8027 0.9613 0.9613 1.0379 1.0379 1.2119 1.2119 4.2455 4.2455 4.6573 4.6573 5.7631 5.7631 5.7805 5.7805 6.0742 6.0742 6.6968 6.6968 6.8270 6.8270 6.8285 6.8285 k = 0.0122-0.0305-0.0181 ( 8286 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8963 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2128 -17.2126 -16.9769 -16.9768 -16.9238 -16.9238 -16.8499 -16.8497 -16.8115 -16.8115 -11.3000 -11.3000 -11.1082 -11.1082 -1.3955 -1.3953 -0.0429 -0.0413 0.4192 0.4255 0.8010 0.8027 0.9587 0.9619 1.0367 1.0367 1.2107 1.2107 4.2461 4.2469 4.6589 4.6594 5.7611 5.7615 5.7789 5.7789 6.0745 6.0755 6.6976 6.6979 6.8256 6.8264 6.8284 6.8287 k = 0.0244-0.0611-0.0361 ( 8278 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2597 -18.8963 -18.8962 -18.8516 -18.8516 -17.3360 -17.3360 -17.2129 -17.2126 -16.9769 -16.9768 -16.9239 -16.9239 -16.8500 -16.8496 -16.8116 -16.8116 -11.2996 -11.2996 -11.1079 -11.1078 -1.3928 -1.3925 -0.0435 -0.0403 0.4159 0.4286 0.7973 0.8008 0.9541 0.9605 1.0333 1.0334 1.2071 1.2071 4.2487 4.2501 4.6642 4.6652 5.7547 5.7555 5.7749 5.7751 6.0766 6.0785 6.7000 6.7006 6.8210 6.8225 6.8300 6.8305 k = 0.0366-0.0916-0.0542 ( 8274 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2599 -19.2597 -18.8964 -18.8962 -18.8517 -18.8517 -17.3360 -17.3360 -17.2130 -17.2126 -16.9770 -16.9768 -16.9240 -16.9240 -16.8502 -16.8495 -16.8117 -16.8117 -11.2989 -11.2989 -11.1073 -11.1072 -1.3883 -1.3879 -0.0440 -0.0392 0.4125 0.4318 0.7918 0.7971 0.9473 0.9574 1.0276 1.0280 1.2011 1.2012 4.2531 4.2552 4.6729 4.6744 5.7422 5.7435 5.7704 5.7706 6.0803 6.0831 6.7039 6.7047 6.8141 6.8162 6.8330 6.8337 k = 0.0488-0.1221-0.0723 ( 8277 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9637 -35.9637 -19.2599 -19.2597 -18.8965 -18.8962 -18.8518 -18.8518 -17.3361 -17.3361 -17.2131 -17.2126 -16.9770 -16.9768 -16.9242 -16.9242 -16.8503 -16.8495 -16.8119 -16.8119 -11.2981 -11.2981 -11.1065 -11.1063 -1.3821 -1.3816 -0.0444 -0.0380 0.4089 0.4349 0.7842 0.7915 0.9382 0.9524 1.0199 1.0210 1.1930 1.1933 4.2595 4.2622 4.6846 4.6866 5.7236 5.7251 5.7658 5.7660 6.0855 6.0893 6.7085 6.7096 6.8058 6.8085 6.8373 6.8382 k = 0.0610-0.1527-0.0903 ( 8273 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2600 -19.2598 -18.8965 -18.8962 -18.8520 -18.8520 -17.3361 -17.3361 -17.2133 -17.2127 -16.9771 -16.9768 -16.9244 -16.9244 -16.8505 -16.8494 -16.8122 -16.8122 -11.2969 -11.2969 -11.1055 -11.1052 -1.3741 -1.3734 -0.0448 -0.0366 0.4048 0.4380 0.7746 0.7841 0.9268 0.9457 1.0104 1.0124 1.1830 1.1836 4.2678 4.2711 4.6989 4.7013 5.6995 5.7012 5.7608 5.7610 6.0924 6.0968 6.7128 6.7141 6.7978 6.8010 6.8430 6.8441 k = 0.0732-0.1832-0.1084 ( 8265 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2602 -19.2598 -18.8966 -18.8962 -18.8522 -18.8522 -17.3362 -17.3362 -17.2135 -17.2127 -16.9772 -16.9768 -16.9247 -16.9247 -16.8506 -16.8494 -16.8125 -16.8125 -11.2955 -11.2955 -11.1042 -11.1039 -1.3643 -1.3635 -0.0451 -0.0352 0.4001 0.4410 0.7628 0.7747 0.9129 0.9372 0.9994 1.0028 1.1715 1.1725 4.2779 4.2818 4.7150 4.7178 5.6706 5.6725 5.7551 5.7553 6.1006 6.1057 6.7154 6.7165 6.7919 6.7955 6.8501 6.8513 k = 0.0854-0.2138-0.1265 ( 8257 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2603 -19.2599 -18.8967 -18.8962 -18.8525 -18.8525 -17.3363 -17.3363 -17.2137 -17.2128 -16.9773 -16.9769 -16.9250 -16.9250 -16.8508 -16.8493 -16.8128 -16.8128 -11.2939 -11.2939 -11.1027 -11.1024 -1.3529 -1.3520 -0.0453 -0.0336 0.3946 0.4437 0.7488 0.7634 0.8967 0.9271 0.9872 0.9925 1.1588 1.1603 4.2899 4.2942 4.7321 4.7352 5.6378 5.6397 5.7488 5.7489 6.1103 6.1159 6.7147 6.7154 6.7901 6.7937 6.8586 6.8601 k = 0.0976-0.2443-0.1445 ( 8255 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2604 -19.2600 -18.8968 -18.8963 -18.8528 -18.8528 -17.3364 -17.3364 -17.2139 -17.2130 -16.9774 -16.9769 -16.9254 -16.9254 -16.8509 -16.8493 -16.8133 -16.8132 -11.2921 -11.2921 -11.1011 -11.1007 -1.3398 -1.3387 -0.0455 -0.0320 0.3881 0.4460 0.7325 0.7502 0.8784 0.9152 0.9742 0.9815 1.1453 1.1474 4.3035 4.3083 4.7493 4.7526 5.6020 5.6039 5.7416 5.7418 6.1213 6.1273 6.7103 6.7105 6.7929 6.7961 6.8687 6.8703 k = 0.1098-0.2748-0.1626 ( 8250 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2606 -19.2601 -18.8969 -18.8963 -18.8531 -18.8531 -17.3366 -17.3366 -17.2142 -17.2131 -16.9775 -16.9770 -16.9258 -16.9258 -16.8511 -16.8493 -16.8137 -16.8136 -11.2900 -11.2900 -11.0992 -11.0987 -1.3250 -1.3239 -0.0458 -0.0302 0.3803 0.4477 0.7139 0.7352 0.8580 0.9018 0.9608 0.9703 1.1314 1.1341 4.3188 4.3239 4.7652 4.7688 5.5644 5.5663 5.7338 5.7339 6.1335 6.1398 6.7027 6.7037 6.7990 6.8018 6.8803 6.8821 k = 0.1220-0.3054-0.1806 ( 8253 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2607 -19.2602 -18.8970 -18.8964 -18.8535 -18.8535 -17.3367 -17.3367 -17.2145 -17.2133 -16.9776 -16.9770 -16.9262 -16.9262 -16.8513 -16.8493 -16.8142 -16.8141 -11.2878 -11.2878 -11.0971 -11.0966 -1.3087 -1.3074 -0.0461 -0.0284 0.3708 0.4485 0.6933 0.7186 0.8361 0.8869 0.9473 0.9589 1.1174 1.1207 4.3356 4.3409 4.7787 4.7822 5.5264 5.5282 5.7252 5.7253 6.1470 6.1534 6.6941 6.6959 6.8068 6.8094 6.8935 6.8954 k = 0.1341-0.3359-0.1987 ( 8254 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2609 -19.2603 -18.8971 -18.8964 -18.8539 -18.8538 -17.3369 -17.3369 -17.2148 -17.2135 -16.9777 -16.9771 -16.9267 -16.9267 -16.8515 -16.8493 -16.8148 -16.8146 -11.2854 -11.2854 -11.0948 -11.0943 -1.2909 -1.2895 -0.0466 -0.0266 0.3595 0.4482 0.6709 0.7006 0.8130 0.8706 0.9340 0.9475 1.1036 1.1073 4.3538 4.3593 4.7879 4.7914 5.4898 5.4913 5.7160 5.7161 6.1617 6.1680 6.6857 6.6881 6.8151 6.8176 6.9083 6.9103 k = 0.1463-0.3664-0.2168 ( 8247 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2611 -19.2605 -18.8972 -18.8965 -18.8543 -18.8543 -17.3371 -17.3371 -17.2151 -17.2137 -16.9778 -16.9772 -16.9272 -16.9272 -16.8517 -16.8494 -16.8153 -16.8152 -11.2828 -11.2828 -11.0924 -11.0919 -1.2717 -1.2701 -0.0472 -0.0247 0.3460 0.4463 0.6469 0.6813 0.7892 0.8532 0.9211 0.9362 1.0901 1.0942 4.3732 4.3788 4.7912 4.7944 5.4564 5.4576 5.7062 5.7063 6.1774 6.1835 6.6782 6.6812 6.8235 6.8260 6.9247 6.9269 k = 0.1585-0.3970-0.2348 ( 8245 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2613 -19.2607 -18.8973 -18.8966 -18.8547 -18.8547 -17.3373 -17.3373 -17.2154 -17.2139 -16.9779 -16.9773 -16.9278 -16.9278 -16.8519 -16.8494 -16.8159 -16.8157 -11.2800 -11.2800 -11.0899 -11.0893 -1.2511 -1.2494 -0.0482 -0.0229 0.3302 0.4424 0.6218 0.6611 0.7653 0.8352 0.9088 0.9251 1.0771 1.0815 4.3936 4.3993 4.7869 4.7897 5.4280 5.4287 5.6959 5.6959 6.1942 6.2000 6.6720 6.6753 6.8315 6.8340 6.9427 6.9451 k = 0.1707-0.4275-0.2529 ( 8247 PWs) bands (ev): -38.0486 -38.0486 -36.0887 -36.0887 -35.9633 -35.9633 -19.2615 -19.2608 -18.8975 -18.8967 -18.8552 -18.8551 -17.3375 -17.3375 -17.2157 -17.2142 -16.9781 -16.9774 -16.9284 -16.9283 -16.8522 -16.8495 -16.8166 -16.8163 -11.2771 -11.2771 -11.0871 -11.0865 -1.2292 -1.2274 -0.0495 -0.0212 0.3119 0.4360 0.5960 0.6400 0.7420 0.8169 0.8971 0.9142 1.0646 1.0693 4.4148 4.4206 4.7737 4.7760 5.4061 5.4064 5.6851 5.6852 6.2121 6.2174 6.6670 6.6706 6.8391 6.8417 6.9623 6.9648 k = 0.1829-0.4580-0.2710 ( 8250 PWs) bands (ev): -38.0485 -38.0485 -36.0887 -36.0887 -35.9633 -35.9633 -19.2618 -19.2610 -18.8976 -18.8968 -18.8557 -18.8556 -17.3377 -17.3377 -17.2160 -17.2145 -16.9782 -16.9775 -16.9290 -16.9289 -16.8524 -16.8496 -16.8172 -16.8169 -11.2741 -11.2741 -11.0843 -11.0837 -1.2062 -1.2043 -0.0513 -0.0195 0.2912 0.4267 0.5696 0.6181 0.7202 0.7991 0.8860 0.9037 1.0527 1.0574 4.4366 4.4423 4.7510 4.7527 5.3912 5.3914 5.6740 5.6740 6.2309 6.2356 6.6633 6.6671 6.8462 6.8491 6.9834 6.9861 k = 0.1951-0.4886-0.2890 ( 8245 PWs) bands (ev): -38.0485 -38.0485 -36.0886 -36.0886 -35.9632 -35.9632 -19.2620 -19.2612 -18.8978 -18.8969 -18.8562 -18.8561 -17.3379 -17.3379 -17.2164 -17.2148 -16.9783 -16.9776 -16.9296 -16.9295 -16.8526 -16.8497 -16.8179 -16.8175 -11.2709 -11.2709 -11.0814 -11.0807 -1.1820 -1.1800 -0.0538 -0.0181 0.2682 0.4141 0.5430 0.5956 0.7005 0.7822 0.8755 0.8934 1.0415 1.0461 4.4585 4.4641 4.7195 4.7207 5.3832 5.3837 5.6625 5.6626 6.2508 6.2548 6.6607 6.6646 6.8532 6.8564 7.0060 7.0089 k = 0.2073-0.5191-0.3071 ( 8235 PWs) bands (ev): -38.0484 -38.0484 -36.0886 -36.0886 -35.9632 -35.9632 -19.2622 -19.2614 -18.8979 -18.8970 -18.8567 -18.8566 -17.3381 -17.3381 -17.2167 -17.2151 -16.9785 -16.9778 -16.9302 -16.9301 -16.8528 -16.8498 -16.8186 -16.8182 -11.2677 -11.2677 -11.0783 -11.0777 -1.1569 -1.1548 -0.0571 -0.0170 0.2431 0.3984 0.5160 0.5724 0.6836 0.7665 0.8655 0.8835 1.0308 1.0353 4.4797 4.4850 4.6810 4.6819 5.3813 5.3820 5.6509 5.6510 6.2715 6.2748 6.6591 6.6628 6.8602 6.8637 7.0300 7.0330 k = 0.2195-0.5497-0.3252 ( 8226 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2624 -19.2616 -18.8980 -18.8971 -18.8572 -18.8571 -17.3383 -17.3383 -17.2171 -17.2154 -16.9786 -16.9779 -16.9308 -16.9307 -16.8531 -16.8499 -16.8192 -16.8188 -11.2644 -11.2644 -11.0752 -11.0746 -1.1309 -1.1287 -0.0613 -0.0162 0.2162 0.3801 0.4887 0.5486 0.6698 0.7523 0.8560 0.8739 1.0206 1.0249 4.4975 4.5023 4.6394 4.6403 5.3841 5.3850 5.6391 5.6392 6.2932 6.2958 6.6581 6.6616 6.8673 6.8712 7.0552 7.0585 k = 0.2317-0.5802-0.3432 ( 8224 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2626 -19.2619 -18.8982 -18.8972 -18.8577 -18.8576 -17.3386 -17.3386 -17.2174 -17.2157 -16.9788 -16.9780 -16.9314 -16.9314 -16.8533 -16.8500 -16.8199 -16.8194 -11.2611 -11.2611 -11.0721 -11.0714 -1.1041 -1.1018 -0.0667 -0.0159 0.1880 0.3597 0.4610 0.5245 0.6589 0.7397 0.8469 0.8647 1.0111 1.0151 4.5035 4.5068 4.6049 4.6068 5.3904 5.3912 5.6273 5.6273 6.3156 6.3175 6.6575 6.6607 6.8748 6.8791 7.0815 7.0850 k = 0.2439-0.6107-0.3613 ( 8233 PWs) bands (ev): -38.0483 -38.0483 -36.0885 -36.0885 -35.9630 -35.9630 -19.2629 -19.2621 -18.8983 -18.8974 -18.8582 -18.8581 -17.3388 -17.3388 -17.2178 -17.2161 -16.9789 -16.9782 -16.9321 -16.9320 -16.8536 -16.8502 -16.8206 -16.8201 -11.2577 -11.2577 -11.0689 -11.0682 -1.0767 -1.0744 -0.0733 -0.0161 0.1588 0.3380 0.4333 0.5002 0.6506 0.7285 0.8383 0.8559 1.0020 1.0057 4.4801 4.4813 4.5963 4.6000 5.3989 5.3995 5.6155 5.6155 6.3387 6.3400 6.6571 6.6598 6.8828 6.8876 7.1086 7.1125 k = 0.2561-0.6413-0.3794 ( 8232 PWs) bands (ev): -38.0483 -38.0483 -36.0884 -36.0884 -35.9630 -35.9630 -19.2631 -19.2623 -18.8985 -18.8975 -18.8587 -18.8586 -17.3391 -17.3391 -17.2181 -17.2164 -16.9791 -16.9783 -16.9327 -16.9326 -16.8538 -16.8504 -16.8213 -16.8207 -11.2543 -11.2543 -11.0657 -11.0650 -1.0489 -1.0465 -0.0813 -0.0172 0.1292 0.3155 0.4060 0.4761 0.6445 0.7187 0.8302 0.8474 0.9936 0.9969 4.4326 4.4328 4.6097 4.6139 5.4085 5.4089 5.6038 5.6038 6.3624 6.3632 6.6569 6.6591 6.8914 6.8967 7.1364 7.1407 k = 0.2683-0.6718-0.3974 ( 8230 PWs) bands (ev): -38.0482 -38.0482 -36.0884 -36.0884 -35.9629 -35.9629 -19.2633 -19.2626 -18.8986 -18.8976 -18.8592 -18.8591 -17.3393 -17.3393 -17.2185 -17.2168 -16.9792 -16.9785 -16.9334 -16.9333 -16.8540 -16.8506 -16.8220 -16.8213 -11.2510 -11.2510 -11.0625 -11.0618 -1.0207 -1.0183 -0.0908 -0.0191 0.0995 0.2927 0.3798 0.4525 0.6399 0.7100 0.8225 0.8393 0.9857 0.9886 4.3760 4.3761 4.6305 4.6348 5.4185 5.4187 5.5922 5.5922 6.3862 6.3866 6.6570 6.6586 6.9006 6.9063 7.1645 7.1692 k = 0.2805-0.7023-0.4155 ( 8236 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2636 -19.2628 -18.8988 -18.8978 -18.8597 -18.8596 -17.3396 -17.3396 -17.2188 -17.2172 -16.9794 -16.9786 -16.9340 -16.9339 -16.8542 -16.8508 -16.8226 -16.8219 -11.2476 -11.2476 -11.0593 -11.0586 -0.9923 -0.9899 -0.1017 -0.0223 0.0705 0.2695 0.3552 0.4297 0.6366 0.7021 0.8152 0.8316 0.9783 0.9809 4.3164 4.3167 4.6538 4.6579 5.4284 5.4285 5.5809 5.5809 6.4097 6.4099 6.6578 6.6587 6.9100 6.9162 7.1924 7.1977 k = 0.2927-0.7329-0.4336 ( 8241 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9628 -35.9628 -19.2638 -19.2630 -18.8989 -18.8980 -18.8602 -18.8601 -17.3398 -17.3398 -17.2192 -17.2175 -16.9795 -16.9788 -16.9346 -16.9345 -16.8545 -16.8510 -16.8232 -16.8225 -11.2443 -11.2443 -11.0562 -11.0555 -0.9640 -0.9616 -0.1139 -0.0273 0.0428 0.2459 0.3331 0.4079 0.6340 0.6950 0.8085 0.8243 0.9716 0.9737 4.2560 4.2564 4.6779 4.6818 5.4378 5.4382 5.5698 5.5698 6.4321 6.4323 6.6599 6.6600 6.9196 6.9263 7.2193 7.2252 k = 0.3049-0.7634-0.4516 ( 8232 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9628 -35.9628 -19.2640 -19.2633 -18.8990 -18.8981 -18.8607 -18.8606 -17.3401 -17.3400 -17.2195 -17.2179 -16.9797 -16.9790 -16.9352 -16.9351 -16.8547 -16.8513 -16.8238 -16.8231 -11.2411 -11.2411 -11.0531 -11.0524 -0.9358 -0.9334 -0.1273 -0.0353 0.0179 0.2218 0.3139 0.3874 0.6320 0.6885 0.8022 0.8174 0.9654 0.9670 4.1959 4.1963 4.7022 4.7058 5.4467 5.4472 5.5590 5.5591 6.4527 6.4530 6.6635 6.6642 6.9289 6.9360 7.2143 7.2185 k = 0.3171-0.7939-0.4697 ( 8218 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9627 -35.9627 -19.2642 -19.2635 -18.8992 -18.8982 -18.8612 -18.8610 -17.3403 -17.3403 -17.2198 -17.2182 -16.9798 -16.9791 -16.9357 -16.9356 -16.8549 -16.8515 -16.8244 -16.8236 -11.2379 -11.2379 -11.0501 -11.0495 -0.9080 -0.9057 -0.1416 -0.0480 -0.0021 0.1972 0.2977 0.3685 0.6303 0.6824 0.7963 0.8109 0.9597 0.9610 4.1369 4.1373 4.7263 4.7296 5.4549 5.4557 5.5487 5.5487 6.4702 6.4707 6.6701 6.6715 6.9376 6.9451 7.1950 7.1996 k = 0.3293-0.8245-0.4878 ( 8221 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9627 -35.9627 -19.2644 -19.2637 -18.8993 -18.8984 -18.8616 -18.8615 -17.3405 -17.3405 -17.2201 -17.2186 -16.9799 -16.9793 -16.9363 -16.9362 -16.8550 -16.8518 -16.8249 -16.8242 -11.2349 -11.2349 -11.0472 -11.0466 -0.8808 -0.8786 -0.1565 -0.0662 -0.0162 0.1724 0.2845 0.3511 0.6289 0.6766 0.7909 0.8048 0.9546 0.9555 4.0795 4.0799 4.7498 4.7529 5.4626 5.4634 5.5388 5.5388 6.4837 6.4844 6.6807 6.6828 6.9449 6.9529 7.1788 7.1839 k = 0.3415-0.8550-0.5058 ( 8213 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9626 -35.9626 -19.2646 -19.2639 -18.8994 -18.8985 -18.8620 -18.8619 -17.3407 -17.3407 -17.2204 -17.2189 -16.9801 -16.9794 -16.9368 -16.9367 -16.8552 -16.8521 -16.8254 -16.8247 -11.2320 -11.2320 -11.0444 -11.0438 -0.8543 -0.8523 -0.1716 -0.0876 -0.0265 0.1477 0.2739 0.3355 0.6276 0.6711 0.7860 0.7991 0.9501 0.9505 4.0242 4.0245 4.7727 4.7755 5.4696 5.4706 5.5293 5.5294 6.4929 6.4937 6.6955 6.6980 6.9505 6.9590 7.1667 7.1722 k = 0.3537-0.8856-0.5239 ( 8207 PWs) bands (ev): -38.0480 -38.0480 -36.0880 -36.0880 -35.9626 -35.9626 -19.2648 -19.2641 -18.8995 -18.8987 -18.8624 -18.8623 -17.3409 -17.3409 -17.2206 -17.2193 -16.9802 -16.9796 -16.9373 -16.9372 -16.8554 -16.8524 -16.8259 -16.8251 -11.2292 -11.2292 -11.0417 -11.0411 -0.8288 -0.8270 -0.1865 -0.1097 -0.0351 0.1235 0.2655 0.3215 0.6264 0.6659 0.7815 0.7938 0.9460 0.9462 3.9713 3.9716 4.7947 4.7972 5.4761 5.4771 5.5204 5.5205 6.4979 6.4986 6.7138 6.7166 6.9538 6.9627 7.1597 7.1656 k = 0.3659-0.9161-0.5419 ( 8211 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9626 -35.9626 -19.2649 -19.2643 -18.8996 -18.8988 -18.8628 -18.8627 -17.3411 -17.3411 -17.2209 -17.2196 -16.9803 -16.9798 -16.9377 -16.9376 -16.8555 -16.8527 -16.8263 -16.8256 -11.2266 -11.2266 -11.0392 -11.0386 -0.8045 -0.8030 -0.2009 -0.1311 -0.0430 0.1000 0.2589 0.3092 0.6253 0.6608 0.7774 0.7889 0.9423 0.9425 3.9214 3.9216 4.8157 4.8178 5.4822 5.4832 5.5121 5.5122 6.4995 6.5001 6.7341 6.7371 6.9545 6.9638 7.1588 7.1650 k = 0.3780-0.9466-0.5600 ( 8215 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9625 -35.9625 -19.2651 -19.2645 -18.8997 -18.8990 -18.8631 -18.8630 -17.3413 -17.3413 -17.2211 -17.2199 -16.9804 -16.9799 -16.9381 -16.9381 -16.8556 -16.8530 -16.8267 -16.8260 -11.2241 -11.2241 -11.0368 -11.0363 -0.7817 -0.7804 -0.2145 -0.1513 -0.0505 0.0774 0.2538 0.2984 0.6242 0.6560 0.7737 0.7843 0.9390 0.9394 3.8745 3.8748 4.8353 4.8373 5.4878 5.4887 5.5044 5.5046 6.4986 6.4991 6.7548 6.7580 6.9526 6.9621 7.1647 7.1708 k = 0.3902-0.9772-0.5781 ( 8209 PWs) bands (ev): -38.0479 -38.0479 -36.0879 -36.0879 -35.9625 -35.9625 -19.2652 -19.2647 -18.8998 -18.8991 -18.8634 -18.8633 -17.3415 -17.3415 -17.2213 -17.2202 -16.9805 -16.9800 -16.9385 -16.9384 -16.8557 -16.8533 -16.8270 -16.8264 -11.2219 -11.2219 -11.0346 -11.0342 -0.7604 -0.7594 -0.2269 -0.1700 -0.0575 0.0560 0.2500 0.2890 0.6233 0.6515 0.7705 0.7801 0.9362 0.9367 3.8312 3.8314 4.8536 4.8553 5.4929 5.4931 5.4975 5.4984 6.4962 6.4965 6.7743 6.7777 6.9490 6.9585 7.1774 7.1832 k = 0.4024-1.0077-0.5961 ( 8211 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9625 -35.9625 -19.2653 -19.2649 -18.8999 -18.8993 -18.8637 -18.8636 -17.3416 -17.3416 -17.2215 -17.2205 -16.9806 -16.9802 -16.9389 -16.9388 -16.8558 -16.8536 -16.8273 -16.8267 -11.2198 -11.2198 -11.0326 -11.0322 -0.7410 -0.7403 -0.2379 -0.1871 -0.0639 0.0359 0.2471 0.2809 0.6225 0.6472 0.7677 0.7763 0.9338 0.9344 3.7916 3.7918 4.8704 4.8718 5.4903 5.4907 5.4983 5.4997 6.4928 6.4930 6.7912 6.7949 6.9443 6.9537 7.1967 7.2019 k = 0.4146-1.0382-0.6142 ( 8209 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9624 -35.9624 -19.2654 -19.2650 -18.8999 -18.8994 -18.8640 -18.8639 -17.3418 -17.3418 -17.2216 -17.2207 -16.9807 -16.9803 -16.9392 -16.9391 -16.8558 -16.8538 -16.8276 -16.8270 -11.2180 -11.2180 -11.0308 -11.0305 -0.7236 -0.7232 -0.2473 -0.2024 -0.0695 0.0171 0.2451 0.2739 0.6219 0.6432 0.7653 0.7729 0.9318 0.9325 3.7561 3.7562 4.8855 4.8866 5.4849 5.4850 5.5028 5.5039 6.4890 6.4890 6.8047 6.8087 6.9396 6.9488 7.2217 7.2261 k = 0.4268-1.0688-0.6323 ( 8201 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2655 -19.2652 -18.9000 -18.8995 -18.8642 -18.8641 -17.3419 -17.3419 -17.2217 -17.2209 -16.9807 -16.9804 -16.9394 -16.9394 -16.8559 -16.8541 -16.8278 -16.8273 -11.2163 -11.2163 -11.0292 -11.0289 -0.7084 -0.7081 -0.2550 -0.2159 -0.0740 -0.0002 0.2438 0.2679 0.6214 0.6395 0.7632 0.7698 0.9302 0.9309 3.7248 3.7248 4.8987 4.8997 5.4799 5.4800 5.5071 5.5080 6.4849 6.4850 6.8146 6.8187 6.9358 6.9443 7.2513 7.2549 k = 0.4390-1.0993-0.6503 ( 8199 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2656 -19.2653 -18.9000 -18.8996 -18.8644 -18.8643 -17.3420 -17.3420 -17.2218 -17.2212 -16.9808 -16.9805 -16.9397 -16.9396 -16.8559 -16.8544 -16.8280 -16.8276 -11.2150 -11.2150 -11.0279 -11.0276 -0.6954 -0.6953 -0.2609 -0.2277 -0.0773 -0.0159 0.2431 0.2627 0.6212 0.6361 0.7616 0.7671 0.9290 0.9296 3.6979 3.6979 4.9101 4.9109 5.4757 5.4758 5.5109 5.5117 6.4811 6.4813 6.8211 6.8250 6.9331 6.9408 7.2841 7.2868 k = 0.4512-1.1298-0.6684 ( 8205 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2657 -19.2654 -18.9000 -18.8997 -18.8645 -18.8645 -17.3421 -17.3421 -17.2219 -17.2214 -16.9808 -16.9806 -16.9399 -16.9398 -16.8558 -16.8546 -16.8281 -16.8278 -11.2138 -11.2138 -11.0267 -11.0265 -0.6848 -0.6847 -0.2649 -0.2379 -0.0791 -0.0300 0.2429 0.2583 0.6212 0.6330 0.7604 0.7648 0.9280 0.9286 3.6757 3.6757 4.9196 4.9202 5.4722 5.4722 5.5142 5.5149 6.4777 6.4779 6.8248 6.8283 6.9317 6.9381 7.3182 7.3199 k = 0.4634-1.1604-0.6865 ( 8198 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2657 -19.2655 -18.9000 -18.8998 -18.8646 -18.8646 -17.3422 -17.3422 -17.2219 -17.2215 -16.9808 -16.9807 -16.9400 -16.9400 -16.8558 -16.8549 -16.8282 -16.8279 -11.2129 -11.2129 -11.0258 -11.0257 -0.6766 -0.6764 -0.2672 -0.2466 -0.0793 -0.0424 0.2432 0.2546 0.6215 0.6303 0.7596 0.7629 0.9273 0.9278 3.6582 3.6582 4.9270 4.9274 5.4694 5.4695 5.5170 5.5174 6.4749 6.4751 6.8266 6.8294 6.9313 6.9363 7.3510 7.3517 k = 0.4756-1.1909-0.7045 ( 8210 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2657 -19.2656 -18.9000 -18.8999 -18.8647 -18.8647 -17.3422 -17.3422 -17.2219 -17.2217 -16.9809 -16.9808 -16.9401 -16.9401 -16.8557 -16.8551 -16.8283 -16.8281 -11.2123 -11.2123 -11.0252 -11.0251 -0.6707 -0.6706 -0.2676 -0.2537 -0.0777 -0.0531 0.2439 0.2515 0.6221 0.6279 0.7591 0.7614 0.9269 0.9272 3.6456 3.6456 4.9323 4.9326 5.4675 5.4675 5.5190 5.5193 6.4728 6.4729 6.8274 6.8293 6.9316 6.9349 7.3720 7.3729 k = 0.4878-1.2215-0.7226 ( 8206 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8556 -16.8553 -16.8283 -16.8282 -11.2119 -11.2119 -11.0248 -11.0247 -0.6672 -0.6671 -0.2664 -0.2594 -0.0743 -0.0620 0.2451 0.2489 0.6230 0.6259 0.7591 0.7602 0.9267 0.9268 3.6381 3.6381 4.9355 4.9357 5.4663 5.4663 5.5203 5.5205 6.4715 6.4716 6.8278 6.8288 6.9322 6.9338 7.3746 7.3746 k = 0.5000-1.2520-0.7407 ( 8210 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8282 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6660 -0.6660 -0.2637 -0.2637 -0.0691 -0.0691 0.2468 0.2468 0.6243 0.6243 0.7595 0.7595 0.9266 0.9266 3.6355 3.6355 4.9367 4.9367 5.4659 5.4659 5.5208 5.5208 6.4711 6.4711 6.8282 6.8282 6.9329 6.9329 7.3750 7.3750 k = 0.5000-1.2520-0.7407 ( 8210 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8282 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6660 -0.6660 -0.2637 -0.2637 -0.0691 -0.0691 0.2468 0.2468 0.6243 0.6243 0.7595 0.7595 0.9266 0.9266 3.6355 3.6355 4.9367 4.9367 5.4659 5.4659 5.5208 5.5208 6.4711 6.4711 6.8282 6.8282 6.9329 6.9329 7.3750 7.3751 k = 0.5000-1.2331-0.7726 ( 8202 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8649 -18.8647 -17.3423 -17.3423 -17.2219 -17.2218 -16.9809 -16.9808 -16.9402 -16.9401 -16.8555 -16.8553 -16.8283 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6656 -0.6653 -0.2640 -0.2625 -0.0689 -0.0684 0.2467 0.2472 0.6215 0.6250 0.7577 0.7593 0.9251 0.9260 3.6365 3.6367 4.9372 4.9373 5.4592 5.4596 5.5221 5.5231 6.4746 6.4756 6.8291 6.8307 6.9356 6.9370 7.3720 7.3740 k = 0.5000-1.2142-0.8045 ( 8212 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2658 -19.2656 -18.9001 -18.8999 -18.8650 -18.8647 -17.3423 -17.3423 -17.2220 -17.2217 -16.9809 -16.9807 -16.9403 -16.9402 -16.8555 -16.8553 -16.8285 -16.8282 -11.2116 -11.2115 -11.0245 -11.0244 -0.6641 -0.6635 -0.2635 -0.2604 -0.0680 -0.0670 0.2470 0.2481 0.6166 0.6237 0.7539 0.7571 0.9213 0.9231 3.6397 3.6400 4.9388 4.9392 5.4404 5.4410 5.5264 5.5285 6.4858 6.4879 6.8334 6.8365 6.9447 6.9476 7.3644 7.3683 k = 0.5000-1.1954-0.8364 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2659 -19.2656 -18.9001 -18.8998 -18.8652 -18.8646 -17.3423 -17.3423 -17.2221 -17.2217 -16.9809 -16.9807 -16.9405 -16.9402 -16.8555 -16.8551 -16.8287 -16.8282 -11.2114 -11.2113 -11.0243 -11.0242 -0.6615 -0.6606 -0.2622 -0.2575 -0.0664 -0.0648 0.2478 0.2494 0.6096 0.6203 0.7482 0.7530 0.9156 0.9183 3.6450 3.6454 4.9416 4.9421 5.4110 5.4116 5.5333 5.5366 6.5040 6.5072 6.8409 6.8453 6.9602 6.9647 7.3520 7.3568 k = 0.5000-1.1765-0.8683 ( 8208 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2659 -19.2655 -18.9001 -18.8998 -18.8654 -18.8646 -17.3423 -17.3423 -17.2222 -17.2216 -16.9810 -16.9806 -16.9406 -16.9402 -16.8556 -16.8550 -16.8289 -16.8282 -11.2112 -11.2110 -11.0241 -11.0239 -0.6579 -0.6568 -0.2601 -0.2536 -0.0640 -0.0618 0.2489 0.2511 0.6004 0.6147 0.7408 0.7470 0.9081 0.9116 3.6523 3.6529 4.9455 4.9462 5.3725 5.3729 5.5425 5.5471 6.5281 6.5326 6.8511 6.8567 6.9816 6.9878 7.3355 7.3399 k = 0.5000-1.1576-0.9002 ( 8212 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2660 -19.2655 -18.9001 -18.8997 -18.8655 -18.8646 -17.3424 -17.3423 -17.2223 -17.2216 -16.9810 -16.9805 -16.9408 -16.9403 -16.8555 -16.8549 -16.8292 -16.8283 -11.2108 -11.2106 -11.0238 -11.0235 -0.6533 -0.6519 -0.2572 -0.2490 -0.0608 -0.0580 0.2504 0.2531 0.5887 0.6067 0.7316 0.7393 0.8992 0.9036 3.6618 3.6625 4.9503 4.9512 5.3261 5.3264 5.5541 5.5599 6.5573 6.5630 6.8637 6.8704 7.0083 7.0162 7.3164 7.3200 k = 0.5000-1.1388-0.9321 ( 8208 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2661 -19.2655 -18.9001 -18.8997 -18.8658 -18.8646 -17.3424 -17.3423 -17.2224 -17.2215 -16.9810 -16.9804 -16.9410 -16.9404 -16.8555 -16.8547 -16.8295 -16.8285 -11.2104 -11.2101 -11.0234 -11.0231 -0.6477 -0.6460 -0.2535 -0.2434 -0.0570 -0.0535 0.2522 0.2556 0.5747 0.5963 0.7209 0.7298 0.8893 0.8945 3.6734 3.6742 4.9560 4.9570 5.2734 5.2736 5.5680 5.5750 6.5904 6.5976 6.8782 6.8858 7.0395 7.0491 7.2959 7.2989 k = 0.5000-1.1199-0.9640 ( 8216 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2662 -19.2655 -18.9001 -18.8996 -18.8660 -18.8647 -17.3424 -17.3424 -17.2225 -17.2215 -16.9810 -16.9804 -16.9412 -16.9405 -16.8555 -16.8545 -16.8298 -16.8286 -11.2100 -11.2096 -11.0229 -11.0226 -0.6413 -0.6393 -0.2492 -0.2370 -0.0526 -0.0483 0.2544 0.2583 0.5582 0.5835 0.7085 0.7186 0.8790 0.8849 3.6869 3.6878 4.9625 4.9637 5.2156 5.2157 5.5841 5.5924 6.6267 6.6355 6.8942 6.9026 7.0742 7.0852 7.2752 7.2780 k = 0.5000-1.1010-0.9959 ( 8206 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2662 -19.2654 -18.9001 -18.8995 -18.8662 -18.8648 -17.3425 -17.3424 -17.2225 -17.2215 -16.9810 -16.9803 -16.9414 -16.9407 -16.8554 -16.8543 -16.8302 -16.8288 -11.2094 -11.2091 -11.0224 -11.0220 -0.6339 -0.6317 -0.2442 -0.2297 -0.0476 -0.0424 0.2568 0.2613 0.5394 0.5683 0.6945 0.7056 0.8688 0.8753 3.7024 3.7034 4.9697 4.9709 5.1538 5.1542 5.6022 5.6117 6.6653 6.6758 6.9111 6.9204 7.1112 7.1232 7.2550 7.2581 k = 0.5000-1.0821-1.0278 ( 8202 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2663 -19.2654 -18.9001 -18.8995 -18.8665 -18.8648 -17.3425 -17.3424 -17.2226 -17.2215 -16.9810 -16.9802 -16.9417 -16.9408 -16.8553 -16.8541 -16.8305 -16.8290 -11.2088 -11.2084 -11.0218 -11.0214 -0.6259 -0.6234 -0.2387 -0.2217 -0.0420 -0.0358 0.2595 0.2645 0.5184 0.5509 0.6788 0.6908 0.8590 0.8661 3.7199 3.7210 4.9772 4.9786 5.0892 5.0901 5.6221 5.6328 6.7056 6.7178 6.9286 6.9385 7.1487 7.1609 7.2366 7.2406 k = 0.5000-1.0633-1.0597 ( 8208 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2664 -19.2654 -18.9001 -18.8994 -18.8667 -18.8649 -17.3425 -17.3425 -17.2228 -17.2215 -16.9810 -16.9801 -16.9419 -16.9410 -16.8553 -16.8539 -16.8310 -16.8293 -11.2082 -11.2078 -11.0212 -11.0207 -0.6172 -0.6145 -0.2326 -0.2129 -0.0359 -0.0287 0.2624 0.2679 0.4957 0.5317 0.6613 0.6741 0.8502 0.8577 3.7393 3.7404 4.9840 4.9863 5.0226 5.0255 5.6435 5.6554 6.7468 6.7607 6.9460 6.9565 7.1823 7.1920 7.2237 7.2294 k = 0.5000-1.0444-1.0916 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2665 -19.2654 -18.9001 -18.8993 -18.8670 -18.8650 -17.3426 -17.3425 -17.2229 -17.2215 -16.9810 -16.9800 -16.9422 -16.9412 -16.8552 -16.8537 -16.8314 -16.8296 -11.2076 -11.2071 -11.0206 -11.0201 -0.6079 -0.6050 -0.2262 -0.2033 -0.0294 -0.0211 0.2653 0.2712 0.4715 0.5111 0.6422 0.6559 0.8424 0.8502 3.7605 3.7617 4.9523 4.9548 4.9943 4.9983 5.6662 5.6794 6.7879 6.8036 6.9629 6.9737 7.1948 7.1954 7.2324 7.2402 k = 0.5000-1.0255-1.1235 ( 8208 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2654 -18.9001 -18.8992 -18.8672 -18.8652 -17.3426 -17.3425 -17.2230 -17.2215 -16.9809 -16.9799 -16.9424 -16.9414 -16.8551 -16.8535 -16.8318 -16.8298 -11.2069 -11.2064 -11.0200 -11.0194 -0.5982 -0.5952 -0.2194 -0.1931 -0.0226 -0.0131 0.2682 0.2744 0.4465 0.4896 0.6216 0.6362 0.8359 0.8438 3.7836 3.7848 4.8857 4.8865 5.0028 5.0054 5.6898 5.7042 6.8279 6.8450 6.9787 6.9896 7.1861 7.1892 7.2482 7.2526 k = 0.5000-1.0066-1.1554 ( 8218 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2655 -18.9001 -18.8992 -18.8675 -18.8653 -17.3427 -17.3426 -17.2231 -17.2215 -16.9809 -16.9799 -16.9427 -16.9416 -16.8550 -16.8533 -16.8322 -16.8301 -11.2062 -11.2056 -11.0193 -11.0187 -0.5882 -0.5850 -0.2123 -0.1822 -0.0155 -0.0047 0.2707 0.2770 0.4215 0.4677 0.5997 0.6154 0.8305 0.8384 3.8084 3.8097 4.8178 4.8182 5.0113 5.0138 5.7139 5.7295 6.8655 6.8834 6.9933 7.0042 7.1790 7.1839 7.2456 7.2524 k = 0.5000-0.9878-1.1873 ( 8226 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2667 -19.2655 -18.9000 -18.8991 -18.8677 -18.8654 -17.3427 -17.3426 -17.2232 -17.2215 -16.9809 -16.9798 -16.9430 -16.9418 -16.8549 -16.8531 -16.8326 -16.8304 -11.2055 -11.2049 -11.0186 -11.0180 -0.5780 -0.5748 -0.2052 -0.1708 -0.0081 0.0038 0.2723 0.2788 0.3976 0.4462 0.5771 0.5940 0.8261 0.8339 3.8350 3.8362 4.7501 4.7504 5.0197 5.0222 5.7382 5.7549 6.8987 6.9164 7.0066 7.0184 7.1761 7.1827 7.2356 7.2440 k = 0.5000-0.9689-1.2192 ( 8218 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2668 -19.2655 -18.9000 -18.8991 -18.8680 -18.8655 -17.3428 -17.3427 -17.2233 -17.2216 -16.9809 -16.9797 -16.9432 -16.9420 -16.8548 -16.8529 -16.8330 -16.8307 -11.2048 -11.2042 -11.0180 -11.0173 -0.5679 -0.5646 -0.1981 -0.1591 -0.0006 0.0125 0.2711 0.2796 0.3768 0.4257 0.5540 0.5724 0.8226 0.8303 3.8633 3.8645 4.6834 4.6837 5.0278 5.0304 5.7621 5.7800 6.9255 6.9417 7.0188 7.0341 7.1773 7.1861 7.2244 7.2330 k = 0.5000-0.9500-1.2511 ( 8214 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2655 -18.9000 -18.8990 -18.8682 -18.8657 -17.3428 -17.3427 -17.2233 -17.2216 -16.9809 -16.9796 -16.9434 -16.9422 -16.8547 -16.8528 -16.8334 -16.8309 -11.2042 -11.2035 -11.0173 -11.0166 -0.5579 -0.5547 -0.1913 -0.1471 0.0070 0.0210 0.2643 0.2799 0.3615 0.4072 0.5310 0.5510 0.8199 0.8273 3.8932 3.8944 4.6181 4.6185 5.0355 5.0382 5.7852 5.8043 6.9445 6.9588 7.0306 7.0511 7.1806 7.1922 7.2158 7.2233 k = 0.5000-0.9312-1.2830 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2655 -18.9000 -18.8990 -18.8684 -18.8658 -17.3429 -17.3427 -17.2234 -17.2216 -16.9809 -16.9796 -16.9436 -16.9424 -16.8546 -16.8526 -16.8338 -16.8312 -11.2035 -11.2029 -11.0167 -11.0160 -0.5484 -0.5452 -0.1849 -0.1352 0.0147 0.0293 0.2506 0.2792 0.3534 0.3918 0.5084 0.5302 0.8177 0.8249 3.9247 3.9259 4.5545 4.5550 5.0427 5.0454 5.8070 5.8271 6.9565 6.9697 7.0421 7.0665 7.1798 7.1932 7.2159 7.2226 k = 0.5000-0.9123-1.3149 ( 8236 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2656 -18.9000 -18.8989 -18.8686 -18.8659 -17.3429 -17.3428 -17.2235 -17.2217 -16.9809 -16.9796 -16.9439 -16.9425 -16.8545 -16.8525 -16.8341 -16.8314 -11.2030 -11.2023 -11.0162 -11.0154 -0.5394 -0.5363 -0.1791 -0.1236 0.0224 0.0371 0.2315 0.2769 0.3515 0.3804 0.4867 0.5104 0.8160 0.8229 3.9578 3.9590 4.4931 4.4937 5.0492 5.0520 5.8269 5.8481 6.9643 6.9771 7.0516 7.0775 7.1718 7.1846 7.2268 7.2342 k = 0.5000-0.8934-1.3468 ( 8226 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2656 -18.9000 -18.8989 -18.8687 -18.8660 -17.3430 -17.3428 -17.2236 -17.2217 -16.9809 -16.9795 -16.9440 -16.9427 -16.8545 -16.8523 -16.8344 -16.8316 -11.2025 -11.2018 -11.0157 -11.0149 -0.5312 -0.5282 -0.1741 -0.1127 0.0304 0.0442 0.2099 0.2728 0.3536 0.3737 0.4663 0.4920 0.8147 0.8212 3.9924 3.9936 4.4342 4.4349 5.0548 5.0577 5.8445 5.8666 6.9706 6.9837 7.0577 7.0830 7.1611 7.1733 7.2425 7.2500 k = 0.5000-0.8745-1.3787 ( 8226 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8989 -18.8689 -18.8661 -17.3430 -17.3429 -17.2236 -17.2217 -16.9809 -16.9795 -16.9442 -16.9428 -16.8544 -16.8522 -16.8346 -16.8318 -11.2020 -11.2013 -11.0152 -11.0145 -0.5240 -0.5212 -0.1703 -0.1030 0.0384 0.0504 0.1880 0.2675 0.3580 0.3715 0.4475 0.4756 0.8136 0.8199 4.0286 4.0297 4.3781 4.3789 5.0595 5.0624 5.8594 5.8824 6.9770 6.9911 7.0599 7.0830 7.1501 7.1618 7.2586 7.2656 k = 0.5000-0.8557-1.4106 ( 8216 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8690 -18.8661 -17.3430 -17.3429 -17.2236 -17.2217 -16.9808 -16.9794 -16.9443 -16.9429 -16.8543 -16.8521 -16.8348 -16.8319 -11.2017 -11.2009 -11.0149 -11.0141 -0.5180 -0.5154 -0.1676 -0.0950 0.0463 0.0553 0.1675 0.2621 0.3634 0.3735 0.4306 0.4614 0.8127 0.8187 4.0661 4.0672 4.3251 4.3260 5.0630 5.0659 5.8712 5.8950 6.9844 7.0002 7.0582 7.0783 7.1395 7.1509 7.2727 7.2790 k = 0.5000-0.8368-1.4425 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8690 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9443 -16.9429 -16.8543 -16.8521 -16.8349 -16.8320 -11.2014 -11.2007 -11.0146 -11.0139 -0.5134 -0.5111 -0.1663 -0.0891 0.0535 0.0590 0.1504 0.2578 0.3690 0.3786 0.4159 0.4501 0.8119 0.8177 4.1050 4.1060 4.2754 4.2764 5.0651 5.0681 5.8798 5.9042 6.9925 7.0112 7.0533 7.0695 7.1297 7.1409 7.2833 7.2890 k = 0.5000-0.8179-1.4744 ( 8208 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2012 -11.2005 -11.0145 -11.0137 -0.5104 -0.5083 -0.1664 -0.0859 0.0583 0.0613 0.1392 0.2556 0.3738 0.3858 0.4037 0.4427 0.8112 0.8168 4.1452 4.1461 4.2293 4.2304 5.0659 5.0689 5.8851 5.9100 6.9998 7.0232 7.0468 7.0577 7.1211 7.1319 7.2897 7.2951 k = 0.5000-0.7990-1.5063 ( 8200 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2012 -11.2005 -11.0144 -11.0137 -0.5092 -0.5074 -0.1678 -0.0854 0.0582 0.0625 0.1365 0.2558 0.3766 0.3913 0.3975 0.4402 0.8106 0.8161 4.1822 4.1851 4.1889 4.1931 5.0651 5.0681 5.8872 5.9125 7.0021 7.0308 7.0426 7.0484 7.1135 7.1241 7.2918 7.2972 k = 0.5000-0.7802-1.5382 ( 8206 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2013 -11.2006 -11.0145 -11.0138 -0.5099 -0.5084 -0.1703 -0.0876 0.0535 0.0628 0.1427 0.2586 0.3760 0.3858 0.4068 0.4432 0.8101 0.8155 4.1482 4.1493 4.2296 4.2308 5.0627 5.0657 5.8863 5.9118 6.9953 7.0184 7.0452 7.0553 7.1070 7.1175 7.2898 7.2956 k = 0.8250-0.7177-1.4244 ( 8206 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2013 -11.2006 -11.0145 -11.0138 -0.5099 -0.5084 -0.1703 -0.0876 0.0535 0.0628 0.1427 0.2586 0.3760 0.3858 0.4068 0.4432 0.8101 0.8155 4.1482 4.1493 4.2296 4.2308 5.0627 5.0657 5.8863 5.9118 6.9953 7.0184 7.0452 7.0553 7.1070 7.1175 7.2898 7.2956 k = 0.8179-0.7000-1.3922 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8690 -18.8661 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9443 -16.9429 -16.8543 -16.8521 -16.8349 -16.8320 -11.2015 -11.2008 -11.0147 -11.0140 -0.5127 -0.5114 -0.1736 -0.0922 0.0465 0.0622 0.1553 0.2637 0.3725 0.3819 0.4192 0.4510 0.8096 0.8150 4.1138 4.1149 4.2738 4.2749 5.0585 5.0615 5.8825 5.9081 6.9809 6.9986 7.0498 7.0667 7.1017 7.1121 7.2843 7.2905 k = 0.8109-0.6823-1.3600 ( 8216 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8689 -18.8661 -17.3430 -17.3429 -17.2236 -17.2217 -16.9808 -16.9794 -16.9442 -16.9428 -16.8544 -16.8521 -16.8347 -16.8319 -11.2019 -11.2012 -11.0151 -11.0144 -0.5177 -0.5166 -0.1775 -0.0986 0.0394 0.0612 0.1717 0.2707 0.3685 0.3795 0.4333 0.4623 0.8092 0.8148 4.0836 4.0848 4.3192 4.3201 5.0525 5.0555 5.8761 5.9017 6.9625 6.9765 7.0529 7.0755 7.0973 7.1080 7.2761 7.2826 k = 0.8038-0.6646-1.3278 ( 8214 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2655 -18.9000 -18.8988 -18.8688 -18.8660 -17.3429 -17.3428 -17.2236 -17.2216 -16.9808 -16.9795 -16.9441 -16.9427 -16.8544 -16.8522 -16.8345 -16.8317 -11.2024 -11.2017 -11.0156 -11.0149 -0.5248 -0.5238 -0.1815 -0.1060 0.0332 0.0603 0.1904 0.2790 0.3653 0.3785 0.4487 0.4759 0.8090 0.8148 4.0580 4.0592 4.3655 4.3664 5.0447 5.0477 5.8675 5.8929 6.9419 6.9531 7.0520 7.0802 7.0937 7.1052 7.2656 7.2722 k = 0.7968-0.6469-1.2956 ( 8218 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2655 -18.9000 -18.8988 -18.8686 -18.8659 -17.3429 -17.3428 -17.2235 -17.2216 -16.9808 -16.9795 -16.9439 -16.9425 -16.8545 -16.8522 -16.8343 -16.8315 -11.2031 -11.2024 -11.0163 -11.0156 -0.5341 -0.5331 -0.1853 -0.1137 0.0281 0.0598 0.2103 0.2876 0.3633 0.3793 0.4654 0.4911 0.8089 0.8151 4.0369 4.0382 4.4127 4.4135 5.0351 5.0381 5.8569 5.8820 6.9197 6.9288 7.0463 7.0802 7.0907 7.1030 7.2532 7.2597 k = 0.7897-0.6292-1.2634 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2654 -18.9000 -18.8988 -18.8684 -18.8657 -17.3428 -17.3427 -17.2234 -17.2215 -16.9808 -16.9795 -16.9437 -16.9423 -16.8545 -16.8522 -16.8339 -16.8312 -11.2040 -11.2033 -11.0172 -11.0164 -0.5455 -0.5445 -0.1886 -0.1210 0.0241 0.0599 0.2307 0.2956 0.3626 0.3829 0.4830 0.5075 0.8091 0.8158 4.0205 4.0219 4.4607 4.4615 5.0239 5.0269 5.8443 5.8691 6.8968 6.9041 7.0358 7.0748 7.0889 7.1013 7.2393 7.2454 k = 0.7826-0.6115-1.2312 ( 8216 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2668 -19.2654 -18.8999 -18.8989 -18.8682 -18.8656 -17.3428 -17.3426 -17.2233 -17.2214 -16.9808 -16.9795 -16.9434 -16.9421 -16.8546 -16.8523 -16.8336 -16.8310 -11.2050 -11.2044 -11.0182 -11.0174 -0.5589 -0.5579 -0.1912 -0.1275 0.0211 0.0608 0.2506 0.3020 0.3634 0.3897 0.5016 0.5248 0.8096 0.8169 4.0089 4.0102 4.5094 4.5101 5.0111 5.0141 5.8301 5.8544 6.8735 6.8793 7.0210 7.0637 7.0881 7.1002 7.2239 7.2296 k = 0.7756-0.5938-1.1990 ( 8220 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2667 -19.2653 -18.8999 -18.8989 -18.8679 -18.8654 -17.3427 -17.3425 -17.2232 -17.2213 -16.9808 -16.9795 -16.9431 -16.9419 -16.8547 -16.8523 -16.8332 -16.8307 -11.2062 -11.2056 -11.0194 -11.0186 -0.5742 -0.5731 -0.1927 -0.1327 0.0189 0.0627 0.2693 0.3064 0.3665 0.4000 0.5208 0.5428 0.8107 0.8184 4.0020 4.0033 4.5587 4.5593 4.9969 4.9998 5.8140 5.8378 6.8503 6.8550 7.0025 7.0476 7.0877 7.0998 7.2076 7.2126 k = 0.7685-0.5761-1.1668 ( 8220 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2653 -18.8999 -18.8988 -18.8676 -18.8652 -17.3426 -17.3424 -17.2230 -17.2212 -16.9808 -16.9795 -16.9428 -16.9416 -16.8547 -16.8523 -16.8327 -16.8303 -11.2076 -11.2070 -11.0207 -11.0200 -0.5913 -0.5901 -0.1930 -0.1362 0.0174 0.0656 0.2855 0.3090 0.3727 0.4135 0.5405 0.5613 0.8122 0.8205 3.9999 4.0012 4.6083 4.6089 4.9815 4.9844 5.7962 5.8193 6.8278 6.8316 6.9811 7.0275 7.0871 7.0997 7.1910 7.1951 k = 0.7614-0.5585-1.1346 ( 8220 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2665 -19.2652 -18.8999 -18.8988 -18.8673 -18.8649 -17.3424 -17.3423 -17.2228 -17.2210 -16.9807 -16.9795 -16.9424 -16.9412 -16.8548 -16.8523 -16.8323 -16.8299 -11.2092 -11.2086 -11.0222 -11.0215 -0.6101 -0.6087 -0.1920 -0.1379 0.0164 0.0695 0.2981 0.3102 0.3830 0.4293 0.5605 0.5801 0.8145 0.8232 4.0025 4.0038 4.6580 4.6585 4.9651 4.9679 5.7766 5.7989 6.8064 6.8094 6.9574 7.0041 7.0852 7.0988 7.1751 7.1783 k = 0.7544-0.5408-1.1024 ( 8210 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2663 -19.2651 -18.8998 -18.8988 -18.8669 -18.8646 -17.3423 -17.3422 -17.2226 -17.2208 -16.9807 -16.9795 -16.9420 -16.9408 -16.8549 -16.8522 -16.8318 -16.8295 -11.2110 -11.2104 -11.0240 -11.0232 -0.6303 -0.6288 -0.1896 -0.1375 0.0158 0.0742 0.3070 0.3107 0.3974 0.4468 0.5807 0.5991 0.8175 0.8266 4.0098 4.0110 4.7075 4.7080 4.9481 4.9509 5.7552 5.7765 6.7864 6.7889 6.9321 6.9783 7.0807 7.0954 7.1617 7.1640 k = 0.7473-0.5231-1.0702 ( 8202 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2662 -19.2649 -18.8998 -18.8987 -18.8665 -18.8644 -17.3421 -17.3420 -17.2224 -17.2206 -16.9806 -16.9794 -16.9415 -16.9405 -16.8549 -16.8522 -16.8312 -16.8290 -11.2129 -11.2123 -11.0258 -11.0251 -0.6520 -0.6503 -0.1857 -0.1349 0.0154 0.0797 0.3109 0.3132 0.4151 0.4654 0.6008 0.6181 0.8214 0.8307 4.0217 4.0229 4.7559 4.7565 4.9313 4.9340 5.7318 5.7521 6.7683 6.7704 6.9056 6.9505 7.0718 7.0871 7.1527 7.1546 k = 0.7402-0.5054-1.0380 ( 8210 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2660 -19.2648 -18.8998 -18.8987 -18.8661 -18.8641 -17.3420 -17.3419 -17.2222 -17.2204 -16.9805 -16.9794 -16.9411 -16.9400 -16.8549 -16.8521 -16.8307 -16.8286 -11.2150 -11.2145 -11.0279 -11.0272 -0.6749 -0.6731 -0.1803 -0.1300 0.0151 0.0858 0.3114 0.3178 0.4346 0.4848 0.6207 0.6371 0.8263 0.8357 4.0382 4.0394 4.8011 4.8017 4.9168 4.9193 5.7066 5.7257 6.7524 6.7541 6.8784 6.9214 7.0579 7.0728 7.1494 7.1508 k = 0.7332-0.4877-1.0058 ( 8214 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9624 -35.9624 -19.2659 -19.2647 -18.8997 -18.8987 -18.8657 -18.8637 -17.3418 -17.3417 -17.2220 -17.2202 -16.9805 -16.9794 -16.9406 -16.9396 -16.8550 -16.8520 -16.8301 -16.8281 -11.2173 -11.2168 -11.0301 -11.0294 -0.6990 -0.6970 -0.1736 -0.1227 0.0145 0.0924 0.3125 0.3220 0.4552 0.5046 0.6402 0.6559 0.8324 0.8414 4.0591 4.0602 4.8341 4.8353 4.9134 4.9152 5.6797 5.6975 6.7386 6.7403 6.8507 6.8914 7.0402 7.0542 7.1505 7.1516 k = 0.7261-0.4700-0.9736 ( 8216 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9625 -35.9625 -19.2657 -19.2645 -18.8996 -18.8986 -18.8652 -18.8634 -17.3416 -17.3416 -17.2218 -17.2200 -16.9804 -16.9793 -16.9401 -16.9391 -16.8550 -16.8519 -16.8295 -16.8276 -11.2197 -11.2192 -11.0324 -11.0317 -0.7241 -0.7219 -0.1656 -0.1130 0.0136 0.0992 0.3148 0.3264 0.4762 0.5245 0.6592 0.6745 0.8396 0.8481 4.0843 4.0854 4.8383 4.8406 4.9375 4.9382 5.6514 5.6679 6.7271 6.7288 6.8232 6.8608 7.0200 7.0332 7.1541 7.1554 k = 0.7190-0.4523-0.9414 ( 8214 PWs) bands (ev): -38.0479 -38.0479 -36.0879 -36.0879 -35.9625 -35.9625 -19.2655 -19.2644 -18.8996 -18.8985 -18.8648 -18.8630 -17.3414 -17.3414 -17.2215 -17.2197 -16.9803 -16.9793 -16.9395 -16.9386 -16.8549 -16.8518 -16.8289 -16.8270 -11.2223 -11.2218 -11.0349 -11.0342 -0.7501 -0.7478 -0.1565 -0.1009 0.0120 0.1062 0.3187 0.3317 0.4971 0.5443 0.6774 0.6928 0.8480 0.8556 4.1137 4.1147 4.8233 4.8259 4.9794 4.9797 5.6220 5.6370 6.7171 6.7196 6.7965 6.8302 6.9987 7.0111 7.1595 7.1610 k = 0.7120-0.4346-0.9092 ( 8212 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9625 -35.9625 -19.2653 -19.2642 -18.8995 -18.8984 -18.8642 -18.8626 -17.3412 -17.3412 -17.2212 -17.2194 -16.9802 -16.9792 -16.9390 -16.9381 -16.8549 -16.8516 -16.8282 -16.8265 -11.2250 -11.2246 -11.0376 -11.0368 -0.7768 -0.7744 -0.1467 -0.0864 0.0096 0.1133 0.3245 0.3383 0.5176 0.5640 0.6949 0.7110 0.8575 0.8641 4.1471 4.1481 4.8018 4.8047 5.0258 5.0260 5.5920 5.6056 6.7071 6.7119 6.7720 6.8002 6.9769 6.9886 7.1659 7.1677 k = 0.7049-0.4169-0.8770 ( 8212 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9626 -35.9626 -19.2651 -19.2640 -18.8994 -18.8983 -18.8637 -18.8622 -17.3410 -17.3410 -17.2209 -17.2191 -16.9801 -16.9791 -16.9384 -16.9375 -16.8548 -16.8515 -16.8275 -16.8259 -11.2278 -11.2274 -11.0403 -11.0396 -0.8041 -0.8016 -0.1365 -0.0695 0.0062 0.1205 0.3326 0.3465 0.5377 0.5834 0.7115 0.7288 0.8680 0.8737 4.1844 4.1854 4.7773 4.7803 5.0732 5.0734 5.5619 5.5741 6.6942 6.7039 6.7527 6.7726 6.9551 6.9662 7.1731 7.1751 k = 0.6978-0.3992-0.8448 ( 8208 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9626 -35.9626 -19.2648 -19.2638 -18.8993 -18.8982 -18.8632 -18.8618 -17.3408 -17.3407 -17.2206 -17.2188 -16.9800 -16.9790 -16.9377 -16.9370 -16.8547 -16.8513 -16.8268 -16.8253 -11.2308 -11.2305 -11.0432 -11.0425 -0.8320 -0.8294 -0.1263 -0.0503 0.0017 0.1280 0.3432 0.3564 0.5571 0.6024 0.7274 0.7464 0.8793 0.8843 4.2253 4.2263 4.7504 4.7536 5.1204 5.1206 5.5324 5.5432 6.6749 6.6918 6.7415 6.7512 6.9338 6.9441 7.1807 7.1829 k = 0.6908-0.3815-0.8126 ( 8208 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9627 -35.9627 -19.2646 -19.2636 -18.8992 -18.8981 -18.8626 -18.8613 -17.3406 -17.3405 -17.2203 -17.2185 -16.9799 -16.9789 -16.9371 -16.9364 -16.8546 -16.8512 -16.8261 -16.8247 -11.2339 -11.2336 -11.0462 -11.0454 -0.8602 -0.8576 -0.1168 -0.0289 -0.0040 0.1364 0.3565 0.3683 0.5757 0.6210 0.7427 0.7637 0.8910 0.8961 4.2696 4.2706 4.7214 4.7248 5.1670 5.1672 5.5041 5.5135 6.6500 6.6711 6.7367 6.7405 6.9133 6.9228 7.1886 7.1910 k = 0.6837-0.3638-0.7804 ( 8222 PWs) bands (ev): -38.0481 -38.0481 -36.0881 -36.0881 -35.9627 -35.9627 -19.2644 -19.2634 -18.8991 -18.8980 -18.8621 -18.8609 -17.3403 -17.3403 -17.2200 -17.2181 -16.9798 -16.9788 -16.9365 -16.9358 -16.8545 -16.8510 -16.8254 -16.8241 -11.2371 -11.2368 -11.0492 -11.0485 -0.8887 -0.8860 -0.1086 -0.0110 -0.0053 0.1461 0.3723 0.3821 0.5936 0.6392 0.7574 0.7807 0.9028 0.9090 4.3169 4.3180 4.6902 4.6940 5.2125 5.2127 5.4777 5.4858 6.6218 6.6432 6.7347 6.7393 6.8938 6.9024 7.1963 7.1989 k = 0.6766-0.3461-0.7482 ( 8226 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9628 -35.9628 -19.2642 -19.2632 -18.8990 -18.8979 -18.8615 -18.8604 -17.3401 -17.3400 -17.2196 -17.2178 -16.9796 -16.9787 -16.9358 -16.9352 -16.8544 -16.8508 -16.8247 -16.8234 -11.2404 -11.2401 -11.0524 -11.0517 -0.9173 -0.9146 -0.1022 -0.0190 0.0201 0.1579 0.3904 0.3980 0.6107 0.6570 0.7719 0.7974 0.9149 0.9227 4.3666 4.3680 4.6572 4.6613 5.2566 5.2569 5.4539 5.4607 6.5919 6.6119 6.7350 6.7416 6.8758 6.8837 7.2037 7.2066 k = 0.6696-0.3285-0.7160 ( 8234 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9628 -35.9628 -19.2639 -19.2630 -18.8989 -18.8978 -18.8610 -18.8599 -17.3399 -17.3398 -17.2193 -17.2175 -16.9795 -16.9786 -16.9351 -16.9346 -16.8542 -16.8507 -16.8240 -16.8228 -11.2437 -11.2434 -11.0556 -11.0548 -0.9459 -0.9432 -0.0981 -0.0282 0.0474 0.1721 0.4104 0.4160 0.6271 0.6744 0.7860 0.8138 0.9273 0.9368 4.4177 4.4195 4.6231 4.6278 5.2987 5.2992 5.4333 5.4390 6.5609 6.5788 6.7361 6.7447 6.8596 6.8671 7.2101 7.2133 k = 0.6625-0.3108-0.6838 ( 8230 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2637 -19.2628 -18.8987 -18.8977 -18.8604 -18.8595 -17.3396 -17.3396 -17.2189 -17.2171 -16.9794 -16.9785 -16.9345 -16.9339 -16.8541 -16.8505 -16.8232 -16.8221 -11.2471 -11.2468 -11.0588 -11.0581 -0.9743 -0.9717 -0.0965 -0.0384 0.0763 0.1892 0.4315 0.4366 0.6428 0.6915 0.8001 0.8299 0.9399 0.9512 4.4660 4.4686 4.5916 4.5973 5.3378 5.3383 5.4174 5.4221 6.5292 6.5449 6.7363 6.7471 6.8459 6.8536 7.2140 7.2174 k = 0.6554-0.2931-0.6516 ( 8232 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2634 -19.2625 -18.8986 -18.8976 -18.8598 -18.8590 -17.3394 -17.3393 -17.2186 -17.2168 -16.9792 -16.9783 -16.9338 -16.9333 -16.8539 -16.8504 -16.8225 -16.8215 -11.2505 -11.2503 -11.0621 -11.0614 -1.0025 -0.9999 -0.0975 -0.0494 0.1066 0.2092 0.4529 0.4600 0.6579 0.7083 0.8140 0.8457 0.9526 0.9657 4.4924 4.4951 4.5828 4.5887 5.3675 5.3682 5.4126 5.4158 6.4969 6.5105 6.7342 6.7471 6.8353 6.8440 7.2088 7.2120 k = 0.6484-0.2754-0.6194 ( 8232 PWs) bands (ev): -38.0483 -38.0483 -36.0884 -36.0884 -35.9630 -35.9630 -19.2632 -19.2623 -18.8985 -18.8974 -18.8592 -18.8585 -17.3391 -17.3391 -17.2182 -17.2164 -16.9791 -16.9782 -16.9331 -16.9327 -16.8537 -16.8502 -16.8217 -16.8208 -11.2539 -11.2537 -11.0654 -11.0646 -1.0302 -1.0277 -0.1009 -0.0611 0.1380 0.2317 0.4750 0.4854 0.6727 0.7250 0.8278 0.8613 0.9654 0.9802 4.4731 4.4735 4.6223 4.6257 5.3732 5.3750 5.4333 5.4344 6.4643 6.4758 6.7292 6.7433 6.8289 6.8385 7.1840 7.1879 k = 0.6413-0.2577-0.5872 ( 8250 PWs) bands (ev): -38.0483 -38.0483 -36.0884 -36.0884 -35.9630 -35.9630 -19.2630 -19.2621 -18.8983 -18.8973 -18.8586 -18.8580 -17.3389 -17.3388 -17.2179 -17.2161 -16.9789 -16.9781 -16.9324 -16.9320 -16.8535 -16.8501 -16.8210 -16.8202 -11.2573 -11.2572 -11.0686 -11.0679 -1.0575 -1.0551 -0.1064 -0.0733 0.1703 0.2566 0.4979 0.5122 0.6872 0.7417 0.8415 0.8766 0.9783 0.9945 4.4328 4.4341 4.6805 4.6828 5.3682 5.3700 5.4659 5.4663 6.4314 6.4411 6.7212 6.7355 6.8264 6.8363 7.1520 7.1564 k = 0.6342-0.2400-0.5550 ( 8242 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2627 -19.2619 -18.8982 -18.8972 -18.8580 -18.8575 -17.3386 -17.3386 -17.2175 -17.2157 -16.9788 -16.9780 -16.9317 -16.9314 -16.8533 -16.8500 -16.8202 -16.8195 -11.2607 -11.2606 -11.0719 -11.0712 -1.0842 -1.0818 -0.1135 -0.0859 0.2032 0.2831 0.5215 0.5398 0.7017 0.7585 0.8550 0.8916 0.9911 1.0086 4.3871 4.3889 4.7441 4.7459 5.3633 5.3649 5.4992 5.4995 6.3986 6.4065 6.7108 6.7246 6.8268 6.8362 7.1190 7.1234 k = 0.6272-0.2223-0.5228 ( 8248 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2625 -19.2617 -18.8980 -18.8971 -18.8575 -18.8570 -17.3384 -17.3384 -17.2171 -17.2154 -16.9786 -16.9779 -16.9310 -16.9307 -16.8531 -16.8498 -16.8195 -16.8189 -11.2641 -11.2640 -11.0751 -11.0744 -1.1102 -1.1079 -0.1219 -0.0988 0.2364 0.3109 0.5456 0.5680 0.7164 0.7754 0.8684 0.9063 1.0040 1.0224 4.3388 4.3409 4.8103 4.8121 5.3603 5.3617 5.5312 5.5316 6.3660 6.3724 6.6989 6.7116 6.8285 6.8372 7.0862 7.0905 k = 0.6201-0.2046-0.4906 ( 8256 PWs) bands (ev): -38.0484 -38.0484 -36.0886 -36.0886 -35.9632 -35.9632 -19.2622 -19.2614 -18.8979 -18.8970 -18.8569 -18.8565 -17.3382 -17.3381 -17.2168 -17.2151 -16.9785 -16.9777 -16.9304 -16.9301 -16.8528 -16.8497 -16.8188 -16.8182 -11.2674 -11.2673 -11.0782 -11.0775 -1.1353 -1.1331 -0.1312 -0.1118 0.2695 0.3392 0.5699 0.5963 0.7316 0.7926 0.8817 0.9206 1.0169 1.0361 4.2891 4.2913 4.8781 4.8800 5.3592 5.3607 5.5616 5.5621 6.3338 6.3391 6.6860 6.6974 6.8304 6.8381 7.0542 7.0582 k = 0.6130-0.1869-0.4584 ( 8244 PWs) bands (ev): -38.0485 -38.0485 -36.0886 -36.0886 -35.9632 -35.9632 -19.2620 -19.2612 -18.8978 -18.8969 -18.8564 -18.8560 -17.3379 -17.3379 -17.2164 -17.2148 -16.9783 -16.9776 -16.9297 -16.9295 -16.8526 -16.8496 -16.8180 -16.8176 -11.2707 -11.2706 -11.0813 -11.0806 -1.1595 -1.1574 -0.1412 -0.1248 0.3022 0.3675 0.5943 0.6244 0.7476 0.8100 0.8947 0.9345 1.0299 1.0495 4.2386 4.2408 4.9470 4.9493 5.3601 5.3615 5.5901 5.5906 6.3022 6.3067 6.6722 6.6824 6.8317 6.8385 7.0233 7.0270 k = 0.6060-0.1692-0.4262 ( 8248 PWs) bands (ev): -38.0485 -38.0485 -36.0887 -36.0887 -35.9633 -35.9633 -19.2618 -19.2610 -18.8976 -18.8968 -18.8558 -18.8555 -17.3377 -17.3377 -17.2161 -17.2145 -16.9782 -16.9775 -16.9291 -16.9289 -16.8524 -16.8495 -16.8173 -16.8169 -11.2738 -11.2737 -11.0843 -11.0836 -1.1827 -1.1807 -0.1515 -0.1376 0.3339 0.3953 0.6186 0.6518 0.7647 0.8278 0.9075 0.9478 1.0431 1.0627 4.1878 4.1900 5.0164 5.0192 5.3627 5.3640 5.6166 5.6171 6.2715 6.2758 6.6578 6.6667 6.8321 6.8379 6.9936 6.9970 k = 0.5989-0.1515-0.3940 ( 8250 PWs) bands (ev): -38.0486 -38.0486 -36.0887 -36.0887 -35.9633 -35.9633 -19.2616 -19.2609 -18.8975 -18.8967 -18.8553 -18.8551 -17.3375 -17.3375 -17.2157 -17.2142 -16.9781 -16.9774 -16.9285 -16.9283 -16.8522 -16.8495 -16.8167 -16.8163 -11.2768 -11.2768 -11.0871 -11.0865 -1.2047 -1.2029 -0.1620 -0.1502 0.3645 0.4220 0.6425 0.6781 0.7831 0.8460 0.9201 0.9605 1.0565 1.0757 4.1371 4.1393 5.0857 5.0895 5.3667 5.3676 5.6410 5.6416 6.2421 6.2464 6.6428 6.6503 6.8315 6.8363 6.9654 6.9684 k = 0.5919-0.1338-0.3618 ( 8244 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2613 -19.2607 -18.8974 -18.8966 -18.8548 -18.8546 -17.3373 -17.3373 -17.2154 -17.2139 -16.9779 -16.9773 -16.9279 -16.9277 -16.8520 -16.8494 -16.8160 -16.8157 -11.2798 -11.2797 -11.0899 -11.0893 -1.2256 -1.2239 -0.1725 -0.1624 0.3934 0.4470 0.6659 0.7028 0.8031 0.8644 0.9324 0.9724 1.0702 1.0886 4.0871 4.0892 5.1543 5.1595 5.3722 5.3724 5.6633 5.6640 6.2143 6.2189 6.6270 6.6333 6.8297 6.8336 6.9389 6.9415 k = 0.5848-0.1162-0.3296 ( 8242 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2611 -19.2605 -18.8972 -18.8965 -18.8544 -18.8542 -17.3371 -17.3371 -17.2151 -17.2137 -16.9778 -16.9772 -16.9273 -16.9272 -16.8517 -16.8494 -16.8154 -16.8152 -11.2825 -11.2825 -11.0925 -11.0919 -1.2453 -1.2437 -0.1828 -0.1741 0.4204 0.4701 0.6887 0.7256 0.8246 0.8830 0.9444 0.9834 1.0843 1.1014 4.0382 4.0402 5.2209 5.2286 5.3776 5.3798 5.6836 5.6843 6.1884 6.1935 6.6103 6.6155 6.8269 6.8298 6.9141 6.9163 k = 0.5777-0.0985-0.2973 ( 8244 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2609 -19.2603 -18.8971 -18.8964 -18.8539 -18.8538 -17.3369 -17.3369 -17.2148 -17.2135 -16.9777 -16.9771 -16.9268 -16.9267 -16.8515 -16.8493 -16.8148 -16.8146 -11.2851 -11.2851 -11.0949 -11.0944 -1.2636 -1.2621 -0.1927 -0.1852 0.4453 0.4909 0.7105 0.7464 0.8475 0.9017 0.9561 0.9935 1.0987 1.1140 3.9908 3.9927 5.2828 5.2956 5.3841 5.3910 5.7019 5.7027 6.1647 6.1703 6.5928 6.5969 6.8230 6.8251 6.8913 6.8931 k = 0.5707-0.0808-0.2651 ( 8252 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2608 -19.2602 -18.8970 -18.8964 -18.8535 -18.8534 -17.3367 -17.3367 -17.2145 -17.2133 -16.9776 -16.9770 -16.9263 -16.9262 -16.8513 -16.8493 -16.8143 -16.8141 -11.2876 -11.2875 -11.0972 -11.0967 -1.2805 -1.2792 -0.2021 -0.1957 0.4678 0.5092 0.7312 0.7651 0.8713 0.9203 0.9674 1.0025 1.1133 1.1265 3.9454 3.9471 5.3326 5.3546 5.3968 5.4128 5.7183 5.7190 6.1434 6.1496 6.5743 6.5774 6.8184 6.8196 6.8704 6.8719 k = 0.5636-0.0631-0.2329 ( 8246 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2606 -19.2601 -18.8969 -18.8963 -18.8531 -18.8531 -17.3366 -17.3366 -17.2142 -17.2131 -16.9774 -16.9770 -16.9258 -16.9258 -16.8511 -16.8493 -16.8137 -16.8136 -11.2898 -11.2898 -11.0993 -11.0989 -1.2960 -1.2948 -0.2108 -0.2054 0.4880 0.5251 0.7505 0.7817 0.8953 0.9387 0.9783 1.0104 1.1280 1.1389 3.9024 3.9039 5.3602 5.3807 5.4399 5.4542 5.7327 5.7334 6.1248 6.1313 6.5549 6.5572 6.8131 6.8137 6.8517 6.8529 k = 0.5565-0.0454-0.2007 ( 8254 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2604 -19.2600 -18.8968 -18.8963 -18.8528 -18.8528 -17.3364 -17.3364 -17.2140 -17.2130 -16.9773 -16.9769 -16.9254 -16.9254 -16.8510 -16.8493 -16.8133 -16.8132 -11.2919 -11.2919 -11.1012 -11.1008 -1.3100 -1.3089 -0.2189 -0.2143 0.5058 0.5385 0.7683 0.7962 0.9190 0.9565 0.9886 1.0172 1.1424 1.1509 3.8622 3.8636 5.3727 5.3878 5.4986 5.5074 5.7453 5.7459 6.1088 6.1155 6.5348 6.5365 6.8073 6.8074 6.8351 6.8360 k = 0.5495-0.0277-0.1685 ( 8266 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2603 -19.2599 -18.8967 -18.8962 -18.8525 -18.8525 -17.3363 -17.3363 -17.2137 -17.2128 -16.9773 -16.9769 -16.9250 -16.9250 -16.8508 -16.8493 -16.8129 -16.8128 -11.2937 -11.2937 -11.1029 -11.1026 -1.3224 -1.3214 -0.2262 -0.2224 0.5212 0.5496 0.7842 0.8086 0.9416 0.9736 0.9982 1.0228 1.1564 1.1626 3.8254 3.8265 5.3797 5.3915 5.5565 5.5621 5.7561 5.7567 6.0953 6.1021 6.5143 6.5155 6.8010 6.8014 6.8206 6.8213 k = 0.5424-0.0100-0.1363 ( 8268 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2602 -19.2598 -18.8966 -18.8962 -18.8522 -18.8522 -17.3362 -17.3362 -17.2135 -17.2127 -16.9772 -16.9768 -16.9247 -16.9247 -16.8506 -16.8494 -16.8125 -16.8125 -11.2953 -11.2953 -11.1044 -11.1041 -1.3332 -1.3324 -0.2327 -0.2295 0.5345 0.5586 0.7983 0.8191 0.9625 0.9895 1.0071 1.0274 1.1694 1.1736 3.7923 3.7933 5.3842 5.3939 5.6107 5.6144 5.7654 5.7659 6.0842 6.0909 6.4938 6.4948 6.7948 6.7955 6.8082 6.8088 k = 0.5353 0.0077-0.1041 ( 8274 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2600 -19.2598 -18.8965 -18.8962 -18.8520 -18.8520 -17.3361 -17.3361 -17.2133 -17.2127 -16.9771 -16.9768 -16.9244 -16.9244 -16.8505 -16.8494 -16.8122 -16.8122 -11.2967 -11.2967 -11.1057 -11.1054 -1.3425 -1.3418 -0.2382 -0.2356 0.5457 0.5656 0.8104 0.8275 0.9811 1.0037 1.0152 1.0308 1.1811 1.1837 3.7634 3.7642 5.3873 5.3953 5.6599 5.6622 5.7731 5.7736 6.0753 6.0817 6.4741 6.4749 6.7889 6.7898 6.7979 6.7984 k = 0.5283 0.0254-0.0719 ( 8268 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9637 -35.9637 -19.2599 -19.2597 -18.8964 -18.8962 -18.8518 -18.8518 -17.3360 -17.3360 -17.2131 -17.2126 -16.9770 -16.9768 -16.9242 -16.9242 -16.8503 -16.8495 -16.8119 -16.8119 -11.2978 -11.2978 -11.1067 -11.1065 -1.3500 -1.3495 -0.2428 -0.2408 0.5550 0.5708 0.8205 0.8341 0.9970 1.0161 1.0225 1.0332 1.1913 1.1927 3.7392 3.7398 5.3896 5.3959 5.7028 5.7041 5.7796 5.7799 6.0684 6.0742 6.4559 6.4567 6.7838 6.7845 6.7898 6.7900 k = 0.5212 0.0431-0.0397 ( 8260 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2597 -18.8964 -18.8962 -18.8517 -18.8517 -17.3360 -17.3360 -17.2130 -17.2126 -16.9770 -16.9768 -16.9240 -16.9240 -16.8502 -16.8495 -16.8117 -16.8117 -11.2987 -11.2987 -11.1075 -11.1074 -1.3559 -1.3555 -0.2463 -0.2448 0.5625 0.5742 0.8287 0.8387 1.0098 1.0260 1.0289 1.0344 1.1995 1.2001 3.7199 3.7204 5.3913 5.3961 5.7378 5.7384 5.7850 5.7853 6.0633 6.0682 6.4402 6.4409 6.7794 6.7798 6.7836 6.7838 k = 0.5141 0.0608-0.0075 ( 8274 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2597 -18.8963 -18.8962 -18.8516 -18.8516 -17.3359 -17.3359 -17.2129 -17.2126 -16.9769 -16.9768 -16.9239 -16.9239 -16.8500 -16.8496 -16.8116 -16.8116 -11.2994 -11.2994 -11.1081 -11.1080 -1.3601 -1.3599 -0.2488 -0.2478 0.5683 0.5761 0.8349 0.8416 1.0194 1.0331 1.0342 1.0346 1.2055 1.2057 3.7059 3.7062 5.3926 5.3958 5.7630 5.7632 5.7902 5.7903 6.0598 6.0635 6.4280 6.4286 6.7759 6.7761 6.7793 6.7796 k = 0.5071 0.0785 0.0247 ( 8274 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8963 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2128 -17.2126 -16.9769 -16.9768 -16.9238 -16.9238 -16.8499 -16.8497 -16.8115 -16.8115 -11.2998 -11.2998 -11.1085 -11.1084 -1.3626 -1.3625 -0.2502 -0.2497 0.5726 0.5764 0.8393 0.8426 1.0261 1.0332 1.0377 1.0378 1.2092 1.2092 3.6974 3.6976 5.3936 5.3952 5.7763 5.7763 5.7957 5.7958 6.0582 6.0601 6.4204 6.4207 6.7737 6.7737 6.7768 6.7771 k = 0.5000 0.0961 0.0569 ( 8276 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1086 -11.1086 -1.3634 -1.3634 -0.2505 -0.2505 0.5752 0.5752 0.8418 0.8418 1.0305 1.0305 1.0391 1.0391 1.2104 1.2104 3.6947 3.6947 5.3945 5.3945 5.7798 5.7798 5.7987 5.7987 6.0583 6.0583 6.4178 6.4178 6.7729 6.7729 6.7761 6.7761 k = 0.5000 0.0961 0.0569 ( 8276 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1086 -11.1086 -1.3634 -1.3634 -0.2505 -0.2505 0.5752 0.5752 0.8418 0.8418 1.0305 1.0305 1.0391 1.0391 1.2104 1.2104 3.6947 3.6947 5.3945 5.3945 5.7798 5.7798 5.7987 5.7987 6.0583 6.0583 6.4178 6.4178 6.7729 6.7729 6.7761 6.7761 k = 0.4643 0.0893 0.0528 ( 8282 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1085 -11.1085 -1.3639 -1.3639 -0.2484 -0.2484 0.5741 0.5741 0.8414 0.8414 1.0293 1.0293 1.0391 1.0391 1.2104 1.2104 3.6992 3.6992 5.3863 5.3863 5.7795 5.7795 5.7984 5.7984 6.0584 6.0584 6.4229 6.4229 6.7734 6.7738 6.7767 6.7767 k = 0.4286 0.0824 0.0488 ( 8288 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8963 -18.8963 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9769 -16.9769 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1085 -11.1085 -1.3652 -1.3652 -0.2423 -0.2423 0.5708 0.5708 0.8402 0.8402 1.0256 1.0256 1.0391 1.0391 1.2105 1.2105 3.7126 3.7126 5.3623 5.3623 5.7788 5.7788 5.7977 5.7978 6.0589 6.0589 6.4374 6.4374 6.7751 6.7759 6.7785 6.7785 k = 0.3929 0.0755 0.0447 ( 8264 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1085 -11.1085 -1.3672 -1.3672 -0.2322 -0.2322 0.5651 0.5651 0.8381 0.8381 1.0199 1.0199 1.0390 1.0390 1.2106 1.2106 3.7347 3.7347 5.3243 5.3243 5.7778 5.7778 5.7966 5.7967 6.0597 6.0597 6.4597 6.4597 6.7781 6.7792 6.7813 6.7813 k = 0.3571 0.0687 0.0406 ( 8258 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1085 -11.1085 -1.3700 -1.3700 -0.2185 -0.2185 0.5571 0.5571 0.8353 0.8353 1.0127 1.0127 1.0389 1.0389 1.2107 1.2107 3.7650 3.7650 5.2746 5.2746 5.7764 5.7764 5.7951 5.7952 6.0608 6.0608 6.4874 6.4874 6.7821 6.7835 6.7851 6.7851 k = 0.3214 0.0618 0.0366 ( 8255 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9237 -16.9237 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1085 -11.1085 -1.3732 -1.3732 -0.2016 -0.2016 0.5466 0.5466 0.8318 0.8318 1.0047 1.0047 1.0388 1.0388 1.2109 1.2109 3.8029 3.8029 5.2155 5.2155 5.7747 5.7747 5.7933 5.7935 6.0622 6.0622 6.5181 6.5181 6.7871 6.7886 6.7897 6.7897 k = 0.2857 0.0549 0.0325 ( 8243 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2126 -17.2126 -16.9768 -16.9768 -16.9237 -16.9237 -16.8498 -16.8498 -16.8114 -16.8114 -11.3000 -11.3000 -11.1085 -11.1085 -1.3767 -1.3767 -0.1821 -0.1821 0.5337 0.5337 0.8277 0.8277 0.9963 0.9963 1.0386 1.0387 1.2110 1.2110 3.8477 3.8477 5.1493 5.1493 5.7730 5.7730 5.7914 5.7916 6.0639 6.0639 6.5498 6.5498 6.7927 6.7944 6.7950 6.7950 k = 0.2500 0.0481 0.0284 ( 8260 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3000 -11.3000 -11.1084 -11.1084 -1.3804 -1.3804 -0.1604 -0.1604 0.5185 0.5185 0.8232 0.8232 0.9884 0.9884 1.0385 1.0385 1.2112 1.2112 3.8984 3.8984 5.0781 5.0781 5.7711 5.7711 5.7894 5.7895 6.0657 6.0657 6.5807 6.5807 6.7987 6.8005 6.8005 6.8006 k = 0.2143 0.0412 0.0244 ( 8263 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3000 -11.3000 -11.1084 -11.1084 -1.3840 -1.3840 -0.1375 -0.1375 0.5016 0.5016 0.8187 0.8187 0.9811 0.9811 1.0384 1.0384 1.2114 1.2114 3.9540 3.9540 5.0037 5.0037 5.7693 5.7693 5.7873 5.7875 6.0675 6.0675 6.6095 6.6095 6.8049 6.8062 6.8062 6.8067 k = 0.1786 0.0343 0.0203 ( 8272 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3000 -11.3000 -11.1084 -11.1084 -1.3874 -1.3874 -0.1143 -0.1143 0.4835 0.4835 0.8143 0.8143 0.9750 0.9750 1.0382 1.0382 1.2115 1.2115 4.0132 4.0132 4.9281 4.9281 5.7676 5.7676 5.7855 5.7856 6.0693 6.0693 6.6351 6.6351 6.8110 6.8117 6.8117 6.8127 k = 0.1429 0.0275 0.0163 ( 8275 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1084 -11.1084 -1.3904 -1.3904 -0.0921 -0.0921 0.4653 0.4653 0.8104 0.8104 0.9699 0.9699 1.0381 1.0381 1.2117 1.2117 4.0742 4.0742 4.8534 4.8534 5.7661 5.7661 5.7838 5.7839 6.0709 6.0709 6.6568 6.6568 6.8165 6.8167 6.8167 6.8181 k = 0.1071 0.0206 0.0122 ( 8284 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3929 -1.3929 -0.0721 -0.0721 0.4485 0.4485 0.8071 0.8071 0.9661 0.9661 1.0380 1.0380 1.2118 1.2118 4.1343 4.1343 4.7826 4.7826 5.7648 5.7648 5.7824 5.7825 6.0723 6.0723 6.6741 6.6741 6.8210 6.8210 6.8213 6.8225 k = 0.0714 0.0137 0.0081 ( 8281 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9769 -16.9769 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3948 -1.3948 -0.0562 -0.0562 0.4347 0.4347 0.8047 0.8047 0.9634 0.9634 1.0379 1.0379 1.2119 1.2119 4.1888 4.1888 4.7202 4.7202 5.7639 5.7639 5.7813 5.7814 6.0733 6.0733 6.6866 6.6866 6.8242 6.8242 6.8250 6.8259 k = 0.0357 0.0069 0.0041 ( 8284 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9769 -16.9769 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3959 -1.3959 -0.0457 -0.0457 0.4256 0.4256 0.8032 0.8032 0.9618 0.9618 1.0379 1.0379 1.2119 1.2119 4.2297 4.2297 4.6747 4.6747 5.7633 5.7633 5.7807 5.7808 6.0740 6.0740 6.6942 6.6942 6.8263 6.8263 6.8275 6.8279 k = 0.0000 0.0000 0.0000 ( 8275 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3963 -1.3963 -0.0421 -0.0421 0.4223 0.4223 0.8027 0.8027 0.9613 0.9613 1.0379 1.0379 1.2119 1.2119 4.2455 4.2455 4.6573 4.6573 5.7631 5.7631 5.7805 5.7805 6.0742 6.0742 6.6968 6.6968 6.8270 6.8270 6.8285 6.8285 k = 0.0000 0.0000 0.0000 ( 8275 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.3001 -11.3001 -11.1083 -11.1083 -1.3963 -1.3963 -0.0421 -0.0421 0.4223 0.4223 0.8027 0.8027 0.9613 0.9613 1.0379 1.0379 1.2119 1.2119 4.2455 4.2455 4.6573 4.6573 5.7631 5.7631 5.7805 5.7805 6.0742 6.0742 6.6968 6.6968 6.8270 6.8270 6.8285 6.8285 k = 0.0070-0.0176-0.0320 ( 8285 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8963 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2128 -17.2126 -16.9769 -16.9768 -16.9238 -16.9238 -16.8499 -16.8497 -16.8115 -16.8115 -11.3000 -11.3000 -11.1082 -11.1082 -1.3955 -1.3953 -0.0428 -0.0412 0.4191 0.4254 0.8010 0.8027 0.9587 0.9619 1.0367 1.0367 1.2107 1.2107 4.2463 4.2471 4.6587 4.6592 5.7611 5.7615 5.7789 5.7789 6.0745 6.0755 6.6976 6.6979 6.8256 6.8264 6.8283 6.8288 k = 0.0141-0.0352-0.0641 ( 8277 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2597 -18.8963 -18.8962 -18.8516 -18.8516 -17.3360 -17.3360 -17.2129 -17.2126 -16.9769 -16.9768 -16.9239 -16.9239 -16.8500 -16.8496 -16.8116 -16.8116 -11.2996 -11.2996 -11.1079 -11.1078 -1.3928 -1.3926 -0.0433 -0.0401 0.4158 0.4285 0.7973 0.8008 0.9541 0.9605 1.0333 1.0334 1.2071 1.2071 4.2495 4.2509 4.6632 4.6642 5.7547 5.7555 5.7749 5.7751 6.0766 6.0785 6.7002 6.7008 6.8209 6.8226 6.8298 6.8307 k = 0.0211-0.0528-0.0961 ( 8279 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2599 -19.2597 -18.8964 -18.8962 -18.8517 -18.8517 -17.3360 -17.3360 -17.2130 -17.2126 -16.9770 -16.9768 -16.9240 -16.9240 -16.8502 -16.8495 -16.8117 -16.8117 -11.2989 -11.2989 -11.1073 -11.1072 -1.3884 -1.3880 -0.0436 -0.0388 0.4122 0.4314 0.7917 0.7971 0.9473 0.9573 1.0276 1.0281 1.2011 1.2012 4.2549 4.2570 4.6708 4.6723 5.7424 5.7436 5.7703 5.7705 6.0803 6.0831 6.7044 6.7053 6.8136 6.8161 6.8328 6.8342 k = 0.0281-0.0704-0.1282 ( 8273 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9637 -35.9637 -19.2599 -19.2597 -18.8964 -18.8962 -18.8518 -18.8518 -17.3361 -17.3361 -17.2131 -17.2126 -16.9770 -16.9768 -16.9242 -16.9242 -16.8503 -16.8495 -16.8119 -16.8119 -11.2981 -11.2981 -11.1065 -11.1063 -1.3822 -1.3817 -0.0438 -0.0372 0.4082 0.4344 0.7842 0.7915 0.9382 0.9523 1.0199 1.0210 1.1930 1.1934 4.2625 4.2653 4.6811 4.6831 5.7241 5.7256 5.7654 5.7657 6.0855 6.0892 6.7098 6.7110 6.8043 6.8075 6.8374 6.8393 k = 0.0352-0.0880-0.1602 ( 8273 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2600 -19.2597 -18.8965 -18.8962 -18.8520 -18.8520 -17.3361 -17.3361 -17.2133 -17.2127 -16.9771 -16.9768 -16.9244 -16.9244 -16.8505 -16.8494 -16.8122 -16.8122 -11.2969 -11.2969 -11.1055 -11.1052 -1.3743 -1.3736 -0.0438 -0.0355 0.4038 0.4372 0.7745 0.7841 0.9268 0.9455 1.0104 1.0125 1.1830 1.1837 4.2723 4.2756 4.6937 4.6960 5.7006 5.7024 5.7599 5.7602 6.0924 6.0968 6.7159 6.7176 6.7936 6.7977 6.8438 6.8461 k = 0.0422-0.1056-0.1923 ( 8271 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2602 -19.2598 -18.8966 -18.8962 -18.8522 -18.8522 -17.3362 -17.3362 -17.2135 -17.2127 -16.9772 -16.9769 -16.9247 -16.9247 -16.8506 -16.8494 -16.8125 -16.8125 -11.2955 -11.2955 -11.1042 -11.1039 -1.3646 -1.3638 -0.0437 -0.0336 0.3988 0.4399 0.7626 0.7747 0.9130 0.9370 0.9994 1.0028 1.1715 1.1726 4.2839 4.2879 4.7080 4.7107 5.6727 5.6747 5.7533 5.7537 6.1006 6.1057 6.7221 6.7244 6.7825 6.7875 6.8522 6.8550 k = 0.0492-0.1232-0.2243 ( 8263 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2603 -19.2599 -18.8967 -18.8962 -18.8525 -18.8525 -17.3363 -17.3363 -17.2137 -17.2128 -16.9773 -16.9769 -16.9250 -16.9250 -16.8508 -16.8493 -16.8129 -16.8128 -11.2939 -11.2939 -11.1028 -11.1024 -1.3532 -1.3523 -0.0435 -0.0316 0.3930 0.4424 0.7485 0.7635 0.8969 0.9269 0.9872 0.9923 1.1588 1.1603 4.2975 4.3019 4.7233 4.7263 5.6414 5.6434 5.7455 5.7459 6.1104 6.1160 6.7274 6.7306 6.7721 6.7782 6.8629 6.8661 k = 0.0562-0.1408-0.2564 ( 8269 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2604 -19.2600 -18.8968 -18.8963 -18.8528 -18.8528 -17.3365 -17.3364 -17.2140 -17.2130 -16.9774 -16.9769 -16.9254 -16.9254 -16.8510 -16.8493 -16.8133 -16.8132 -11.2921 -11.2921 -11.1011 -11.1007 -1.3402 -1.3391 -0.0434 -0.0294 0.3861 0.4446 0.7321 0.7505 0.8787 0.9151 0.9739 0.9811 1.1451 1.1472 4.3126 4.3175 4.7388 4.7420 5.6075 5.6096 5.7361 5.7367 6.1215 6.1276 6.7302 6.7344 6.7645 6.7716 6.8757 6.8794 k = 0.0633-0.1585-0.2884 ( 8253 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2606 -19.2601 -18.8969 -18.8963 -18.8531 -18.8531 -17.3366 -17.3366 -17.2142 -17.2131 -16.9775 -16.9770 -16.9258 -16.9258 -16.8511 -16.8493 -16.8137 -16.8136 -11.2901 -11.2901 -11.0992 -11.0988 -1.3256 -1.3244 -0.0432 -0.0272 0.3781 0.4464 0.7135 0.7357 0.8587 0.9019 0.9601 0.9695 1.1309 1.1335 4.3293 4.3345 4.7535 4.7568 5.5722 5.5742 5.7251 5.7258 6.1341 6.1404 6.7290 6.7330 6.7630 6.7698 6.8909 6.8949 k = 0.0703-0.1761-0.3205 ( 8251 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2607 -19.2602 -18.8970 -18.8964 -18.8535 -18.8534 -17.3367 -17.3367 -17.2145 -17.2133 -16.9776 -16.9770 -16.9263 -16.9262 -16.8513 -16.8493 -16.8142 -16.8141 -11.2878 -11.2878 -11.0971 -11.0966 -1.3094 -1.3081 -0.0432 -0.0249 0.3685 0.4475 0.6929 0.7195 0.8371 0.8873 0.9458 0.9575 1.1163 1.1195 4.3474 4.3529 4.7661 4.7695 5.5367 5.5387 5.7124 5.7132 6.1481 6.1546 6.7240 6.7274 6.7670 6.7729 6.9082 6.9125 k = 0.0773-0.1937-0.3525 ( 8249 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2609 -19.2603 -18.8971 -18.8964 -18.8539 -18.8538 -17.3369 -17.3369 -17.2148 -17.2135 -16.9777 -16.9771 -16.9267 -16.9267 -16.8515 -16.8493 -16.8148 -16.8146 -11.2854 -11.2854 -11.0949 -11.0944 -1.2917 -1.2902 -0.0433 -0.0225 0.3574 0.4478 0.6704 0.7019 0.8145 0.8716 0.9314 0.9453 1.1017 1.1053 4.3666 4.3723 4.7755 4.7788 5.5025 5.5043 5.6977 5.6987 6.1636 6.1701 6.7175 6.7207 6.7736 6.7792 6.9275 6.9320 k = 0.0844-0.2113-0.3845 ( 8253 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2611 -19.2605 -18.8972 -18.8965 -18.8543 -18.8542 -17.3371 -17.3371 -17.2151 -17.2137 -16.9778 -16.9772 -16.9273 -16.9272 -16.8517 -16.8493 -16.8154 -16.8151 -11.2828 -11.2828 -11.0925 -11.0919 -1.2725 -1.2710 -0.0437 -0.0202 0.3443 0.4470 0.6464 0.6833 0.7912 0.8550 0.9169 0.9329 1.0870 1.0910 4.3868 4.3926 4.7803 4.7833 5.4711 5.4727 5.6811 5.6823 6.1807 6.1870 6.7112 6.7145 6.7816 6.7872 6.9486 6.9533 k = 0.0914-0.2289-0.4166 ( 8251 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2613 -19.2607 -18.8973 -18.8966 -18.8548 -18.8546 -17.3373 -17.3372 -17.2154 -17.2139 -16.9779 -16.9773 -16.9278 -16.9277 -16.8519 -16.8494 -16.8160 -16.8157 -11.2801 -11.2800 -11.0899 -11.0893 -1.2520 -1.2503 -0.0444 -0.0180 0.3293 0.4448 0.6213 0.6639 0.7678 0.8380 0.9026 0.9203 1.0724 1.0767 4.4078 4.4137 4.7790 4.7817 5.4441 5.4454 5.6625 5.6638 6.1994 6.2054 6.7060 6.7094 6.7906 6.7965 6.9713 6.9761 k = 0.0984-0.2465-0.4486 ( 8253 PWs) bands (ev): -38.0486 -38.0486 -36.0887 -36.0887 -35.9633 -35.9633 -19.2615 -19.2608 -18.8975 -18.8967 -18.8553 -18.8551 -17.3375 -17.3375 -17.2157 -17.2142 -16.9781 -16.9774 -16.9284 -16.9283 -16.8521 -16.8495 -16.8166 -16.8163 -11.2772 -11.2771 -11.0872 -11.0866 -1.2302 -1.2284 -0.0455 -0.0159 0.3123 0.4408 0.5952 0.6439 0.7449 0.8209 0.8884 0.9076 1.0579 1.0623 4.4294 4.4354 4.7706 4.7729 5.4226 5.4237 5.6417 5.6433 6.2198 6.2255 6.7022 6.7056 6.8004 6.8067 6.9954 7.0003 k = 0.1055-0.2641-0.4807 ( 8257 PWs) bands (ev): -38.0485 -38.0485 -36.0887 -36.0887 -35.9633 -35.9633 -19.2618 -19.2610 -18.8976 -18.8968 -18.8558 -18.8555 -17.3377 -17.3377 -17.2161 -17.2145 -16.9782 -16.9775 -16.9290 -16.9289 -16.8524 -16.8495 -16.8173 -16.8169 -11.2742 -11.2741 -11.0843 -11.0837 -1.2071 -1.2053 -0.0471 -0.0139 0.2933 0.4348 0.5688 0.6233 0.7230 0.8042 0.8744 0.8947 1.0435 1.0479 4.4515 4.4574 4.7547 4.7566 5.4074 5.4084 5.6189 5.6207 6.2419 6.2473 6.6999 6.7033 6.8111 6.8179 7.0209 7.0258 k = 0.1125-0.2817-0.5127 ( 8247 PWs) bands (ev): -38.0485 -38.0485 -36.0886 -36.0886 -35.9632 -35.9632 -19.2620 -19.2612 -18.8977 -18.8969 -18.8563 -18.8560 -17.3379 -17.3379 -17.2164 -17.2148 -16.9783 -16.9776 -16.9297 -16.9295 -16.8526 -16.8496 -16.8180 -16.8175 -11.2710 -11.2709 -11.0814 -11.0807 -1.1830 -1.1810 -0.0492 -0.0121 0.2724 0.4263 0.5421 0.6023 0.7028 0.7882 0.8604 0.8818 1.0291 1.0334 4.4736 4.4794 4.7315 4.7330 5.3986 5.3996 5.5939 5.5960 6.2659 6.2711 6.6991 6.7025 6.8226 6.8299 7.0476 7.0525 k = 0.1195-0.2993-0.5448 ( 8243 PWs) bands (ev): -38.0484 -38.0484 -36.0886 -36.0886 -35.9632 -35.9632 -19.2622 -19.2614 -18.8979 -18.8970 -18.8569 -18.8565 -17.3381 -17.3381 -17.2167 -17.2151 -16.9785 -16.9777 -16.9303 -16.9301 -16.8528 -16.8497 -16.8187 -16.8181 -11.2678 -11.2677 -11.0784 -11.0777 -1.1578 -1.1557 -0.0520 -0.0106 0.2500 0.4154 0.5155 0.5809 0.6847 0.7732 0.8464 0.8688 1.0147 1.0188 4.4952 4.5007 4.7023 4.7035 5.3957 5.3967 5.5667 5.5692 6.2916 6.2969 6.6997 6.7032 6.8348 6.8425 7.0752 7.0802 k = 0.1266-0.3169-0.5768 ( 8235 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2624 -19.2616 -18.8980 -18.8971 -18.8574 -18.8569 -17.3383 -17.3383 -17.2171 -17.2154 -16.9786 -16.9778 -16.9310 -16.9307 -16.8530 -16.8498 -16.8194 -16.8188 -11.2645 -11.2644 -11.0753 -11.0746 -1.1317 -1.1296 -0.0555 -0.0093 0.2263 0.4020 0.4892 0.5592 0.6689 0.7594 0.8325 0.8558 1.0003 1.0040 4.5146 4.5198 4.6695 4.6709 5.3977 5.3989 5.5376 5.5406 6.3190 6.3249 6.7017 6.7053 6.8474 6.8556 7.1038 7.1088 k = 0.1336-0.3345-0.6089 ( 8241 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2627 -19.2618 -18.8982 -18.8972 -18.8580 -18.8574 -17.3386 -17.3386 -17.2175 -17.2157 -16.9788 -16.9780 -16.9316 -16.9313 -16.8532 -16.8499 -16.8202 -16.8195 -11.2611 -11.2610 -11.0721 -11.0714 -1.1048 -1.1026 -0.0597 -0.0083 0.2016 0.3864 0.4635 0.5375 0.6553 0.7464 0.8187 0.8428 0.9859 0.9891 4.5275 4.5318 4.6390 4.6412 5.4033 5.4049 5.5065 5.5105 6.3482 6.3551 6.7050 6.7087 6.8603 6.8688 7.1328 7.1380 k = 0.1406-0.3521-0.6409 ( 8241 PWs) bands (ev): -38.0483 -38.0483 -36.0885 -36.0885 -35.9630 -35.9630 -19.2629 -19.2621 -18.8983 -18.8973 -18.8586 -18.8579 -17.3388 -17.3388 -17.2178 -17.2160 -16.9789 -16.9781 -16.9323 -16.9320 -16.8534 -16.8501 -16.8209 -16.8201 -11.2577 -11.2576 -11.0689 -11.0682 -1.0772 -1.0749 -0.0648 -0.0076 0.1764 0.3690 0.4387 0.5158 0.6436 0.7342 0.8052 0.8298 0.9714 0.9741 4.5226 4.5252 4.6234 4.6270 5.4101 5.4133 5.4741 5.4803 6.3792 6.3874 6.7095 6.7134 6.8733 6.8820 7.1616 7.1673 k = 0.1477-0.3697-0.6730 ( 8227 PWs) bands (ev): -38.0483 -38.0483 -36.0884 -36.0884 -35.9630 -35.9630 -19.2632 -19.2623 -18.8984 -18.8974 -18.8591 -18.8584 -17.3391 -17.3390 -17.2182 -17.2164 -16.9790 -16.9782 -16.9330 -16.9326 -16.8536 -16.8502 -16.8217 -16.8208 -11.2543 -11.2541 -11.0656 -11.0649 -1.0490 -1.0466 -0.0706 -0.0073 0.1510 0.3502 0.4152 0.4945 0.6332 0.7222 0.7920 0.8170 0.9570 0.9589 4.4938 4.4953 4.6298 4.6343 5.4108 5.4186 5.4451 5.4567 6.4118 6.4218 6.7151 6.7192 6.8862 6.8950 7.1885 7.1950 k = 0.1547-0.3873-0.7050 ( 8223 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2634 -19.2625 -18.8986 -18.8975 -18.8597 -18.8589 -17.3393 -17.3393 -17.2185 -17.2167 -16.9792 -16.9783 -16.9337 -16.9332 -16.8538 -16.8503 -16.8224 -16.8214 -11.2509 -11.2507 -11.0624 -11.0616 -1.0203 -1.0180 -0.0771 -0.0073 0.1256 0.3301 0.3935 0.4738 0.6236 0.7101 0.7793 0.8044 0.9426 0.9438 4.4526 4.4537 4.6477 4.6522 5.3897 5.3949 5.4449 5.4547 6.4460 6.4580 6.7217 6.7260 6.8989 6.9077 7.2090 7.2131 k = 0.1617-0.4049-0.7371 ( 8221 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2636 -19.2627 -18.8987 -18.8977 -18.8603 -18.8594 -17.3396 -17.3395 -17.2189 -17.2171 -16.9793 -16.9785 -16.9344 -16.9339 -16.8540 -16.8505 -16.8231 -16.8221 -11.2475 -11.2473 -11.0591 -11.0584 -0.9913 -0.9890 -0.0844 -0.0076 0.1007 0.3091 0.3739 0.4539 0.6141 0.6973 0.7672 0.7922 0.9282 0.9289 4.4072 4.4082 4.6697 4.6741 5.3549 5.3574 5.4580 5.4660 6.4817 6.4958 6.7292 6.7338 6.9111 6.9199 7.2225 7.2243 k = 0.1687-0.4225-0.7691 ( 8229 PWs) bands (ev): -38.0481 -38.0481 -36.0883 -36.0883 -35.9628 -35.9628 -19.2639 -19.2629 -18.8988 -18.8978 -18.8609 -18.8599 -17.3398 -17.3398 -17.2192 -17.2174 -16.9795 -16.9786 -16.9350 -16.9345 -16.8542 -16.8507 -16.8239 -16.8227 -11.2441 -11.2439 -11.0559 -11.0552 -0.9621 -0.9598 -0.0921 -0.0083 0.0765 0.2875 0.3568 0.4350 0.6041 0.6836 0.7556 0.7803 0.9135 0.9149 4.3608 4.3616 4.6933 4.6974 5.3157 5.3171 5.4733 5.4811 6.5185 6.5350 6.7376 6.7425 6.9230 6.9316 7.2332 7.2355 k = 0.1758-0.4401-0.8011 ( 8223 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9628 -35.9628 -19.2641 -19.2632 -18.8990 -18.8979 -18.8614 -18.8603 -17.3401 -17.3400 -17.2196 -17.2178 -16.9796 -16.9787 -16.9357 -16.9351 -16.8544 -16.8508 -16.8246 -16.8234 -11.2408 -11.2405 -11.0527 -11.0520 -0.9329 -0.9306 -0.1003 -0.0092 0.0533 0.2656 0.3421 0.4173 0.5934 0.6687 0.7445 0.7687 0.8991 0.9015 4.3147 4.3154 4.7174 4.7213 5.2740 5.2749 5.4898 5.4980 6.5562 6.5752 6.7468 6.7520 6.9346 6.9432 7.2434 7.2467 k = 0.1828-0.4577-0.8332 ( 8217 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9627 -35.9627 -19.2643 -19.2634 -18.8991 -18.8980 -18.8620 -18.8608 -17.3403 -17.3402 -17.2199 -17.2181 -16.9797 -16.9788 -16.9364 -16.9357 -16.8545 -16.8510 -16.8253 -16.8240 -11.2375 -11.2372 -11.0496 -11.0489 -0.9037 -0.9015 -0.1087 -0.0106 0.0315 0.2439 0.3298 0.4008 0.5814 0.6527 0.7335 0.7573 0.8853 0.8889 4.2698 4.2705 4.7417 4.7453 5.2307 5.2312 5.5073 5.5160 6.5946 6.6162 6.7566 6.7621 6.9461 6.9546 7.2531 7.2574 k = 0.1898-0.4754-0.8652 ( 8219 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9627 -35.9627 -19.2646 -19.2636 -18.8992 -18.8981 -18.8626 -18.8613 -17.3405 -17.3405 -17.2202 -17.2184 -16.9799 -16.9789 -16.9370 -16.9363 -16.8546 -16.8511 -16.8261 -16.8246 -11.2344 -11.2340 -11.0465 -11.0458 -0.8747 -0.8726 -0.1171 -0.0129 0.0119 0.2226 0.3195 0.3857 0.5680 0.6356 0.7222 0.7456 0.8724 0.8773 4.2268 4.2274 4.7659 4.7691 5.1860 5.1863 5.5255 5.5349 6.6331 6.6574 6.7672 6.7729 6.9576 6.9662 7.2618 7.2671 k = 0.1969-0.4930-0.8973 ( 8231 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9626 -35.9626 -19.2648 -19.2638 -18.8993 -18.8982 -18.8631 -18.8617 -17.3408 -17.3407 -17.2206 -17.2188 -16.9800 -16.9790 -16.9377 -16.9369 -16.8547 -16.8513 -16.8268 -16.8252 -11.2313 -11.2309 -11.0436 -11.0428 -0.8461 -0.8440 -0.1253 -0.0190 -0.0025 0.2022 0.3111 0.3719 0.5532 0.6176 0.7104 0.7334 0.8608 0.8668 4.1861 4.1867 4.7896 4.7926 5.1402 5.1403 5.5445 5.5547 6.6714 6.6985 6.7784 6.7843 6.9695 6.9782 7.2689 7.2749 k = 0.2039-0.5106-0.9293 ( 8225 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9626 -35.9626 -19.2650 -19.2640 -18.8994 -18.8983 -18.8637 -18.8621 -17.3410 -17.3409 -17.2209 -17.2191 -16.9801 -16.9791 -16.9383 -16.9375 -16.8548 -16.8515 -16.8274 -16.8258 -11.2283 -11.2279 -11.0407 -11.0400 -0.8179 -0.8160 -0.1331 -0.0324 -0.0079 0.1829 0.3045 0.3596 0.5369 0.5989 0.6977 0.7204 0.8506 0.8577 4.1481 4.1487 4.8125 4.8153 5.0936 5.0937 5.5642 5.5753 6.7089 6.7388 6.7906 6.7965 6.9819 6.9910 7.2738 7.2806 k = 0.2109-0.5282-0.9614 ( 8217 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9625 -35.9625 -19.2652 -19.2642 -18.8995 -18.8984 -18.8642 -18.8625 -17.3412 -17.3411 -17.2212 -17.2194 -16.9802 -16.9792 -16.9389 -16.9380 -16.8549 -16.8516 -16.8281 -16.8264 -11.2254 -11.2250 -11.0379 -11.0372 -0.7903 -0.7885 -0.1403 -0.0477 -0.0096 0.1647 0.2994 0.3485 0.5193 0.5796 0.6839 0.7062 0.8420 0.8499 4.1132 4.1139 4.8342 4.8367 5.0468 5.0470 5.5847 5.5965 6.7450 6.7770 6.8041 6.8098 6.9951 7.0048 7.2764 7.2836 k = 0.2180-0.5458-0.9934 ( 8212 PWs) bands (ev): -38.0479 -38.0479 -36.0879 -36.0879 -35.9625 -35.9625 -19.2654 -19.2643 -18.8996 -18.8985 -18.8647 -18.8629 -17.3414 -17.3413 -17.2214 -17.2197 -16.9803 -16.9793 -16.9394 -16.9385 -16.8549 -16.8517 -16.8287 -16.8269 -11.2227 -11.2222 -11.0353 -11.0346 -0.7634 -0.7617 -0.1469 -0.0621 -0.0101 0.1479 0.2955 0.3386 0.5006 0.5600 0.6690 0.6908 0.8350 0.8435 4.0816 4.0823 4.8535 4.8557 5.0011 5.0015 5.6058 5.6185 6.7782 6.8077 6.8205 6.8285 7.0092 7.0196 7.2764 7.2840 k = 0.2250-0.5634-1.0255 ( 8216 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9625 -35.9625 -19.2656 -19.2645 -18.8996 -18.8986 -18.8652 -18.8633 -17.3416 -17.3415 -17.2217 -17.2199 -16.9804 -16.9793 -16.9400 -16.9390 -16.8550 -16.8519 -16.8294 -16.8275 -11.2201 -11.2196 -11.0328 -11.0321 -0.7373 -0.7357 -0.1527 -0.0750 -0.0100 0.1324 0.2929 0.3299 0.4810 0.5400 0.6529 0.6744 0.8294 0.8384 4.0537 4.0544 4.8663 4.8681 4.9605 4.9612 5.6274 5.6410 6.8062 6.8267 6.8390 6.8595 7.0243 7.0354 7.2742 7.2820 k = 0.2320-0.5810-1.0575 ( 8218 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9624 -35.9624 -19.2658 -19.2647 -18.8997 -18.8987 -18.8656 -18.8637 -17.3418 -17.3417 -17.2220 -17.2202 -16.9805 -16.9794 -16.9405 -16.9395 -16.8550 -16.8520 -16.8300 -16.8280 -11.2176 -11.2171 -11.0304 -11.0297 -0.7122 -0.7106 -0.1575 -0.0863 -0.0092 0.1184 0.2913 0.3221 0.4608 0.5200 0.6358 0.6570 0.8252 0.8343 4.0296 4.0304 4.8591 4.8600 4.9386 4.9403 5.6496 5.6640 6.8268 6.8419 6.8629 6.8925 7.0404 7.0523 7.2701 7.2779 k = 0.2391-0.5986-1.0896 ( 8214 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2660 -19.2648 -18.8997 -18.8987 -18.8661 -18.8640 -17.3420 -17.3419 -17.2222 -17.2204 -16.9805 -16.9794 -16.9410 -16.9400 -16.8550 -16.8521 -16.8306 -16.8285 -11.2154 -11.2148 -11.0282 -11.0275 -0.6881 -0.6864 -0.1615 -0.0958 -0.0077 0.1058 0.2904 0.3150 0.4402 0.5001 0.6179 0.6389 0.8220 0.8311 4.0095 4.0104 4.8246 4.8251 4.9427 4.9449 5.6720 5.6873 6.8430 6.8560 6.8898 6.9237 7.0574 7.0699 7.2646 7.2722 k = 0.2461-0.6162-1.1216 ( 8224 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2662 -19.2649 -18.8998 -18.8988 -18.8665 -18.8643 -17.3421 -17.3420 -17.2224 -17.2206 -16.9806 -16.9795 -16.9415 -16.9404 -16.8549 -16.8522 -16.8311 -16.8290 -11.2132 -11.2127 -11.0262 -11.0254 -0.6651 -0.6633 -0.1645 -0.1035 -0.0056 0.0947 0.2901 0.3082 0.4198 0.4806 0.5992 0.6203 0.8196 0.8286 3.9937 3.9946 4.7793 4.7798 4.9565 4.9587 5.6947 5.7108 6.8577 6.8700 6.9163 6.9522 7.0749 7.0877 7.2582 7.2654 k = 0.2531-0.6338-1.1536 ( 8220 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2663 -19.2650 -18.8998 -18.8988 -18.8669 -18.8646 -17.3423 -17.3422 -17.2226 -17.2208 -16.9807 -16.9795 -16.9419 -16.9408 -16.8549 -16.8522 -16.8317 -16.8294 -11.2113 -11.2107 -11.0243 -11.0235 -0.6433 -0.6413 -0.1667 -0.1093 -0.0028 0.0850 0.2902 0.3013 0.4002 0.4616 0.5801 0.6015 0.8179 0.8266 3.9822 3.9832 4.7310 4.7315 4.9721 4.9744 5.7173 5.7343 6.8721 6.8840 6.9413 6.9778 7.0924 7.1053 7.2516 7.2584 k = 0.2602-0.6514-1.1857 ( 8226 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2665 -19.2652 -18.8999 -18.8988 -18.8672 -18.8649 -17.3424 -17.3423 -17.2228 -17.2210 -16.9807 -16.9795 -16.9423 -16.9412 -16.8548 -16.8523 -16.8322 -16.8298 -11.2095 -11.2089 -11.0225 -11.0218 -0.6228 -0.6205 -0.1682 -0.1132 0.0007 0.0768 0.2903 0.2934 0.3824 0.4435 0.5608 0.5827 0.8166 0.8250 3.9753 3.9763 4.6818 4.6823 4.9875 4.9899 5.7397 5.7575 6.8863 6.8981 6.9643 7.0004 7.1091 7.1217 7.2457 7.2519 k = 0.2672-0.6690-1.2177 ( 8216 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2652 -18.8999 -18.8988 -18.8676 -18.8651 -17.3425 -17.3424 -17.2230 -17.2211 -16.9807 -16.9795 -16.9427 -16.9415 -16.8548 -16.8523 -16.8326 -16.8302 -11.2079 -11.2073 -11.0210 -11.0203 -0.6036 -0.6012 -0.1690 -0.1152 0.0048 0.0700 0.2836 0.2899 0.3676 0.4267 0.5414 0.5640 0.8157 0.8238 3.9730 3.9740 4.6323 4.6329 5.0021 5.0045 5.7616 5.7803 6.9006 6.9124 6.9849 7.0199 7.1240 7.1360 7.2412 7.2468 k = 0.2742-0.6866-1.2498 ( 8214 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2667 -19.2653 -18.8999 -18.8988 -18.8679 -18.8653 -17.3426 -17.3425 -17.2231 -17.2213 -16.9808 -16.9795 -16.9430 -16.9418 -16.8547 -16.8523 -16.8331 -16.8306 -11.2065 -11.2059 -11.0196 -11.0189 -0.5859 -0.5832 -0.1694 -0.1154 0.0097 0.0647 0.2708 0.2886 0.3572 0.4115 0.5222 0.5458 0.8150 0.8227 3.9753 3.9764 4.5829 4.5835 5.0155 5.0180 5.7827 5.8022 6.9149 6.9268 7.0031 7.0361 7.1361 7.1469 7.2392 7.2444 k = 0.2812-0.7042-1.2818 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2668 -19.2654 -18.8999 -18.8988 -18.8681 -18.8655 -17.3427 -17.3426 -17.2232 -17.2214 -16.9808 -16.9795 -16.9433 -16.9420 -16.8546 -16.8523 -16.8335 -16.8309 -11.2053 -11.2046 -11.0184 -11.0177 -0.5698 -0.5670 -0.1692 -0.1138 0.0151 0.0608 0.2548 0.2861 0.3516 0.3985 0.5034 0.5281 0.8145 0.8218 3.9823 3.9835 4.5339 4.5345 5.0276 5.0302 5.8027 5.8231 6.9292 6.9414 7.0186 7.0490 7.1444 7.1536 7.2406 7.2456 k = 0.2883-0.7218-1.3139 ( 8196 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2654 -18.8999 -18.8988 -18.8684 -18.8657 -17.3428 -17.3427 -17.2234 -17.2215 -16.9808 -16.9795 -16.9436 -16.9423 -16.8545 -16.8522 -16.8338 -16.8312 -11.2042 -11.2035 -11.0173 -11.0166 -0.5553 -0.5524 -0.1688 -0.1107 0.0211 0.0583 0.2364 0.2821 0.3501 0.3881 0.4852 0.5112 0.8140 0.8210 3.9941 3.9953 4.4854 4.4861 5.0381 5.0408 5.8213 5.8425 6.9434 6.9561 7.0311 7.0582 7.1485 7.1559 7.2455 7.2506 k = 0.2953-0.7394-1.3459 ( 8196 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2655 -18.8999 -18.8988 -18.8686 -18.8658 -17.3429 -17.3427 -17.2235 -17.2215 -16.9808 -16.9795 -16.9438 -16.9425 -16.8545 -16.8522 -16.8342 -16.8314 -11.2033 -11.2026 -11.0165 -11.0157 -0.5427 -0.5398 -0.1681 -0.1064 0.0276 0.0571 0.2166 0.2769 0.3518 0.3807 0.4678 0.4952 0.8136 0.8202 4.0107 4.0118 4.4375 4.4383 5.0470 5.0498 5.8382 5.8602 6.9572 6.9708 7.0402 7.0637 7.1489 7.1547 7.2529 7.2582 k = 0.3023-0.7570-1.3780 ( 8198 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2655 -18.9000 -18.8988 -18.8687 -18.8659 -17.3429 -17.3428 -17.2235 -17.2216 -16.9808 -16.9795 -16.9440 -16.9426 -16.8544 -16.8522 -16.8344 -16.8316 -11.2026 -11.2019 -11.0158 -11.0150 -0.5320 -0.5291 -0.1673 -0.1013 0.0347 0.0570 0.1965 0.2710 0.3555 0.3762 0.4514 0.4804 0.8131 0.8194 4.0319 4.0330 4.3904 4.3912 5.0543 5.0571 5.8530 5.8758 6.9704 6.9854 7.0459 7.0656 7.1461 7.1513 7.2618 7.2672 k = 0.3094-0.7747-1.4100 ( 8200 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2655 -18.9000 -18.8988 -18.8689 -18.8660 -17.3430 -17.3428 -17.2236 -17.2217 -16.9808 -16.9794 -16.9442 -16.9428 -16.8543 -16.8521 -16.8347 -16.8318 -11.2020 -11.2013 -11.0152 -11.0145 -0.5233 -0.5206 -0.1666 -0.0960 0.0420 0.0577 0.1770 0.2652 0.3607 0.3748 0.4362 0.4670 0.8126 0.8187 4.0577 4.0588 4.3442 4.3451 5.0598 5.0627 5.8655 5.8890 6.9825 6.9996 7.0483 7.0644 7.1407 7.1464 7.2709 7.2762 k = 0.3164-0.7923-1.4421 ( 8202 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8690 -18.8661 -17.3430 -17.3429 -17.2236 -17.2217 -16.9808 -16.9794 -16.9443 -16.9429 -16.8543 -16.8521 -16.8348 -16.8319 -11.2016 -11.2009 -11.0148 -11.0141 -0.5167 -0.5142 -0.1660 -0.0910 0.0495 0.0589 0.1593 0.2601 0.3664 0.3765 0.4223 0.4555 0.8121 0.8179 4.0880 4.0891 4.2990 4.3000 5.0635 5.0665 5.8753 5.8994 6.9928 7.0130 7.0481 7.0606 7.1332 7.1404 7.2792 7.2845 k = 0.3234-0.8099-1.4741 ( 8204 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9443 -16.9430 -16.8543 -16.8520 -16.8350 -16.8320 -11.2013 -11.2006 -11.0146 -11.0138 -0.5122 -0.5099 -0.1660 -0.0873 0.0560 0.0603 0.1450 0.2567 0.3715 0.3815 0.4100 0.4465 0.8115 0.8172 4.1228 4.1237 4.2548 4.2559 5.0655 5.0685 5.8823 5.9070 7.0000 7.0247 7.0462 7.0551 7.1246 7.1336 7.2860 7.2913 k = 0.3305-0.8275-1.5062 ( 8204 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2012 -11.2005 -11.0144 -11.0137 -0.5097 -0.5078 -0.1668 -0.0854 0.0589 0.0619 0.1370 0.2554 0.3752 0.3890 0.3996 0.4411 0.8110 0.8165 4.1617 4.1623 4.2119 4.2132 5.0658 5.0688 5.8863 5.9114 7.0026 7.0310 7.0441 7.0517 7.1156 7.1263 7.2907 7.2961 k = 0.3375-0.8451-1.5382 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2012 -11.2005 -11.0145 -11.0137 -0.5093 -0.5076 -0.1687 -0.0860 0.0571 0.0622 0.1382 0.2566 0.3770 0.3889 0.4007 0.4407 0.8104 0.8158 4.1695 4.1704 4.2050 4.2066 5.0643 5.0674 5.8872 5.9126 6.9997 7.0255 7.0448 7.0548 7.1069 7.1189 7.2930 7.2986 k = 0.6625-0.7489-1.4813 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8520 -16.8350 -16.8321 -11.2012 -11.2005 -11.0145 -11.0137 -0.5093 -0.5076 -0.1687 -0.0860 0.0571 0.0622 0.1382 0.2566 0.3770 0.3889 0.4007 0.4407 0.8104 0.8158 4.1695 4.1704 4.2050 4.2066 5.0643 5.0674 5.8872 5.9126 6.9997 7.0255 7.0448 7.0548 7.1069 7.1189 7.2930 7.2986 k = 0.6554-0.7122-1.4813 ( 8214 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8691 -18.8662 -17.3430 -17.3429 -17.2237 -17.2217 -16.9808 -16.9794 -16.9444 -16.9430 -16.8543 -16.8521 -16.8350 -16.8320 -11.2013 -11.2006 -11.0146 -11.0138 -0.5107 -0.5092 -0.1719 -0.0897 0.0514 0.0609 0.1483 0.2605 0.3757 0.3827 0.4121 0.4463 0.8098 0.8152 4.1291 4.1301 4.2520 4.2531 5.0613 5.0643 5.8849 5.9105 6.9925 7.0140 7.0456 7.0604 7.0989 7.1115 7.2931 7.2990 k = 0.6484-0.6754-1.4813 ( 8198 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2656 -18.9000 -18.8988 -18.8690 -18.8661 -17.3430 -17.3429 -17.2236 -17.2217 -16.9808 -16.9794 -16.9443 -16.9429 -16.8543 -16.8521 -16.8348 -16.8319 -11.2016 -11.2009 -11.0148 -11.0141 -0.5138 -0.5125 -0.1766 -0.0966 0.0436 0.0585 0.1646 0.2669 0.3716 0.3790 0.4260 0.4570 0.8094 0.8147 4.0897 4.0909 4.3028 4.3037 5.0566 5.0597 5.8796 5.9052 6.9830 7.0011 7.0447 7.0641 7.0914 7.1043 7.2912 7.2976 k = 0.6413-0.6387-1.4813 ( 8198 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2671 -19.2655 -18.9000 -18.8988 -18.8689 -18.8661 -17.3430 -17.3428 -17.2236 -17.2217 -16.9808 -16.9794 -16.9442 -16.9428 -16.8544 -16.8522 -16.8346 -16.8318 -11.2019 -11.2012 -11.0152 -11.0144 -0.5184 -0.5173 -0.1827 -0.1065 0.0357 0.0552 0.1845 0.2749 0.3671 0.3772 0.4421 0.4714 0.8090 0.8143 4.0518 4.0530 4.3569 4.3578 5.0506 5.0536 5.8713 5.8968 6.9729 6.9882 7.0409 7.0644 7.0841 7.0969 7.2880 7.2947 k = 0.6342-0.6020-1.4813 ( 8208 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2655 -18.9000 -18.8989 -18.8688 -18.8660 -17.3429 -17.3428 -17.2236 -17.2217 -16.9808 -16.9795 -16.9440 -16.9427 -16.8544 -16.8523 -16.8344 -16.8317 -11.2024 -11.2017 -11.0156 -11.0148 -0.5242 -0.5234 -0.1902 -0.1188 0.0286 0.0510 0.2064 0.2834 0.3636 0.3780 0.4602 0.4885 0.8089 0.8142 4.0153 4.0165 4.4142 4.4149 5.0432 5.0462 5.8603 5.8855 6.9630 6.9759 7.0337 7.0606 7.0764 7.0890 7.2842 7.2912 k = 0.6272-0.5652-1.4813 ( 8206 PWs) bands (ev): -38.0476 -38.0476 -36.0876 -36.0876 -35.9622 -35.9622 -19.2670 -19.2655 -18.9000 -18.8989 -18.8686 -18.8659 -17.3429 -17.3428 -17.2235 -17.2216 -16.9808 -16.9795 -16.9439 -16.9425 -16.8545 -16.8524 -16.8341 -16.8315 -11.2029 -11.2022 -11.0161 -11.0153 -0.5311 -0.5305 -0.1989 -0.1330 0.0222 0.0460 0.2288 0.2912 0.3619 0.3827 0.4800 0.5075 0.8092 0.8144 3.9803 3.9816 4.4743 4.4749 5.0347 5.0377 5.8470 5.8717 6.9538 6.9646 7.0225 7.0524 7.0678 7.0799 7.2804 7.2875 k = 0.6201-0.5285-1.4813 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2655 -18.9000 -18.8989 -18.8684 -18.8658 -17.3429 -17.3428 -17.2234 -17.2216 -16.9809 -16.9796 -16.9437 -16.9424 -16.8546 -16.8526 -16.8338 -16.8312 -11.2034 -11.2028 -11.0166 -11.0159 -0.5388 -0.5383 -0.2086 -0.1484 0.0164 0.0405 0.2498 0.2969 0.3630 0.3921 0.5011 0.5279 0.8099 0.8151 3.9469 3.9483 4.5368 4.5374 5.0252 5.0281 5.8315 5.8557 6.9453 6.9543 7.0075 7.0398 7.0577 7.0693 7.2773 7.2844 k = 0.6130-0.4917-1.4813 ( 8210 PWs) bands (ev): -38.0476 -38.0476 -36.0877 -36.0877 -35.9622 -35.9622 -19.2669 -19.2655 -18.9000 -18.8990 -18.8682 -18.8657 -17.3428 -17.3427 -17.2233 -17.2216 -16.9809 -16.9796 -16.9435 -16.9422 -16.8547 -16.8527 -16.8335 -16.8310 -11.2041 -11.2034 -11.0172 -11.0165 -0.5472 -0.5468 -0.2190 -0.1644 0.0112 0.0347 0.2672 0.3001 0.3686 0.4062 0.5231 0.5494 0.8111 0.8162 3.9151 3.9165 4.6014 4.6019 5.0150 5.0178 5.8144 5.8379 6.9374 6.9448 6.9888 7.0228 7.0457 7.0567 7.2754 7.2821 k = 0.6060-0.4550-1.4813 ( 8196 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2668 -19.2655 -18.9000 -18.8990 -18.8680 -18.8655 -17.3428 -17.3427 -17.2232 -17.2215 -16.9809 -16.9797 -16.9432 -16.9420 -16.8547 -16.8529 -16.8331 -16.8307 -11.2047 -11.2041 -11.0179 -11.0172 -0.5560 -0.5557 -0.2298 -0.1806 0.0063 0.0286 0.2790 0.3014 0.3804 0.4239 0.5457 0.5713 0.8131 0.8180 3.8850 3.8865 4.6676 4.6682 5.0041 5.0069 5.7959 5.8186 6.9298 6.9356 6.9670 7.0015 7.0315 7.0419 7.2748 7.2812 k = 0.5989-0.4182-1.4813 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9622 -35.9622 -19.2667 -19.2655 -18.9000 -18.8991 -18.8678 -18.8654 -17.3427 -17.3426 -17.2232 -17.2215 -16.9809 -16.9798 -16.9430 -16.9418 -16.8548 -16.8531 -16.8327 -16.8304 -11.2054 -11.2048 -11.0185 -11.0179 -0.5650 -0.5648 -0.2409 -0.1967 0.0016 0.0225 0.2851 0.3010 0.3983 0.4441 0.5683 0.5934 0.8160 0.8206 3.8566 3.8581 4.7350 4.7358 4.9929 4.9958 5.7764 5.7983 6.9212 6.9255 6.9438 6.9764 7.0147 7.0248 7.2758 7.2817 k = 0.5919-0.3815-1.4813 ( 8196 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2654 -18.9000 -18.8992 -18.8675 -18.8653 -17.3427 -17.3426 -17.2231 -17.2215 -16.9809 -16.9798 -16.9427 -16.9416 -16.8549 -16.8533 -16.8322 -16.8301 -11.2061 -11.2055 -11.0192 -11.0186 -0.5741 -0.5740 -0.2519 -0.2125 -0.0028 0.0164 0.2873 0.2996 0.4201 0.4656 0.5904 0.6151 0.8199 0.8243 3.8300 3.8314 4.8028 4.8042 4.9816 4.9847 5.7564 5.7772 6.9049 6.9151 6.9254 6.9483 6.9954 7.0051 7.2785 7.2838 k = 0.5848-0.3448-1.4813 ( 8202 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2666 -19.2654 -18.9000 -18.8992 -18.8673 -18.8652 -17.3426 -17.3425 -17.2230 -17.2215 -16.9809 -16.9799 -16.9425 -16.9414 -16.8550 -16.8535 -16.8318 -16.8299 -11.2068 -11.2063 -11.0199 -11.0193 -0.5831 -0.5830 -0.2627 -0.2276 -0.0070 0.0105 0.2872 0.2975 0.4438 0.4876 0.6118 0.6360 0.8252 0.8291 3.8051 3.8066 4.8697 4.8726 4.9707 4.9748 5.7361 5.7558 6.8778 6.9052 6.9132 6.9179 6.9736 6.9829 7.2828 7.2875 k = 0.5777-0.3080-1.4813 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2665 -19.2654 -18.9001 -18.8993 -18.8670 -18.8651 -17.3426 -17.3425 -17.2229 -17.2215 -16.9809 -16.9800 -16.9422 -16.9412 -16.8551 -16.8537 -16.8314 -16.8296 -11.2075 -11.2070 -11.0205 -11.0200 -0.5919 -0.5919 -0.2731 -0.2421 -0.0110 0.0048 0.2861 0.2949 0.4679 0.5091 0.6319 0.6556 0.8318 0.8352 3.7821 3.7835 4.9272 4.9365 4.9642 4.9742 5.7158 5.7344 6.8473 6.8846 6.8951 6.9021 6.9496 6.9582 7.2886 7.2928 k = 0.5707-0.2713-1.4813 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2664 -19.2654 -18.9001 -18.8994 -18.8667 -18.8650 -17.3425 -17.3425 -17.2228 -17.2215 -16.9810 -16.9801 -16.9419 -16.9410 -16.8552 -16.8539 -16.8310 -16.8293 -11.2082 -11.2077 -11.0212 -11.0207 -0.6003 -0.6003 -0.2830 -0.2556 -0.0147 -0.0006 0.2844 0.2920 0.4914 0.5297 0.6506 0.6737 0.8398 0.8427 3.7609 3.7623 4.9393 4.9447 5.0131 5.0188 5.6959 5.7133 6.8156 6.8512 6.8829 6.8897 6.9239 6.9316 7.2960 7.2996 k = 0.5636-0.2345-1.4813 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2663 -19.2654 -18.9001 -18.8994 -18.8665 -18.8649 -17.3425 -17.3424 -17.2227 -17.2215 -16.9810 -16.9802 -16.9417 -16.9409 -16.8553 -16.8541 -16.8306 -16.8291 -11.2088 -11.2084 -11.0218 -11.0213 -0.6083 -0.6082 -0.2922 -0.2683 -0.0181 -0.0057 0.2825 0.2892 0.5135 0.5487 0.6677 0.6899 0.8491 0.8515 3.7416 3.7429 4.9317 4.9349 5.0788 5.0821 5.6767 5.6928 6.7837 6.8172 6.8698 6.8758 6.8971 6.9039 7.3045 7.3077 k = 0.5565-0.1978-1.4813 ( 8210 PWs) bands (ev): -38.0477 -38.0477 -36.0877 -36.0877 -35.9623 -35.9623 -19.2662 -19.2654 -18.9001 -18.8995 -18.8662 -18.8648 -17.3425 -17.3424 -17.2226 -17.2215 -16.9810 -16.9803 -16.9414 -16.9407 -16.8554 -16.8543 -16.8302 -16.8289 -11.2094 -11.2090 -11.0224 -11.0220 -0.6157 -0.6156 -0.3005 -0.2798 -0.0212 -0.0103 0.2806 0.2864 0.5339 0.5657 0.6833 0.7042 0.8594 0.8613 3.7243 3.7255 4.9226 4.9250 5.1431 5.1458 5.6583 5.6730 6.7522 6.7831 6.8557 6.8595 6.8703 6.8771 7.3141 7.3169 k = 0.5495-0.1610-1.4813 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2662 -19.2654 -18.9001 -18.8996 -18.8660 -18.8647 -17.3424 -17.3423 -17.2224 -17.2215 -16.9810 -16.9803 -16.9412 -16.9405 -16.8554 -16.8545 -16.8298 -16.8286 -11.2099 -11.2096 -11.0229 -11.0225 -0.6224 -0.6223 -0.3080 -0.2903 -0.0239 -0.0146 0.2787 0.2838 0.5521 0.5803 0.6975 0.7166 0.8702 0.8717 3.7089 3.7100 4.9137 4.9157 5.2048 5.2072 5.6410 5.6543 6.7218 6.7497 6.8380 6.8393 6.8462 6.8553 7.3243 7.3268 k = 0.5424-0.1243-1.4813 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2661 -19.2655 -18.9001 -18.8996 -18.8658 -18.8646 -17.3424 -17.3423 -17.2223 -17.2215 -16.9810 -16.9804 -16.9410 -16.9404 -16.8555 -16.8547 -16.8295 -16.8285 -11.2104 -11.2101 -11.0234 -11.0230 -0.6283 -0.6282 -0.3145 -0.2996 -0.0263 -0.0184 0.2771 0.2813 0.5680 0.5923 0.7102 0.7272 0.8810 0.8822 3.6955 3.6965 4.9055 4.9072 5.2626 5.2650 5.6249 5.6367 6.6929 6.7174 6.8139 6.8157 6.8303 6.8388 7.3346 7.3368 k = 0.5353-0.0876-1.4813 ( 8192 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2660 -19.2655 -18.9001 -18.8997 -18.8655 -18.8646 -17.3423 -17.3423 -17.2222 -17.2216 -16.9810 -16.9805 -16.9408 -16.9403 -16.8555 -16.8548 -16.8292 -16.8283 -11.2108 -11.2106 -11.0238 -11.0235 -0.6335 -0.6334 -0.3200 -0.3078 -0.0282 -0.0217 0.2757 0.2792 0.5815 0.6018 0.7216 0.7361 0.8912 0.8923 3.6842 3.6851 4.8984 4.8998 5.3158 5.3181 5.6101 5.6204 6.6664 6.6872 6.7908 6.7921 6.8175 6.8246 7.3443 7.3463 k = 0.5283-0.0508-1.4813 ( 8188 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2659 -19.2655 -18.9001 -18.8998 -18.8653 -18.8646 -17.3423 -17.3423 -17.2221 -17.2216 -16.9809 -16.9806 -16.9406 -16.9402 -16.8555 -16.8550 -16.8289 -16.8282 -11.2112 -11.2110 -11.0241 -11.0239 -0.6378 -0.6377 -0.3243 -0.3147 -0.0297 -0.0246 0.2745 0.2773 0.5926 0.6088 0.7316 0.7432 0.9004 0.9012 3.6749 3.6756 4.8924 4.8934 5.3631 5.3655 5.5966 5.6053 6.6431 6.6598 6.7706 6.7715 6.8065 6.8123 7.3530 7.3547 k = 0.5212-0.0141-1.4813 ( 8190 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2659 -19.2655 -18.9001 -18.8998 -18.8652 -18.8646 -17.3423 -17.3423 -17.2221 -17.2216 -16.9809 -16.9806 -16.9405 -16.9402 -16.8555 -16.8551 -16.8287 -16.8282 -11.2114 -11.2113 -11.0243 -11.0242 -0.6412 -0.6411 -0.3274 -0.3203 -0.0308 -0.0270 0.2737 0.2757 0.6015 0.6135 0.7399 0.7487 0.9080 0.9087 3.6676 3.6682 4.8876 4.8884 5.4034 5.4059 5.5845 5.5916 6.6238 6.6364 6.7541 6.7549 6.7977 6.8021 7.3602 7.3615 k = 0.5141 0.0227-1.4813 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2658 -19.2656 -18.9000 -18.8999 -18.8650 -18.8646 -17.3423 -17.3423 -17.2220 -17.2217 -16.9809 -16.9807 -16.9403 -16.9401 -16.8555 -16.8552 -16.8285 -16.8281 -11.2116 -11.2115 -11.0245 -11.0244 -0.6436 -0.6435 -0.3294 -0.3247 -0.0314 -0.0288 0.2732 0.2745 0.6082 0.6162 0.7464 0.7522 0.9138 0.9142 3.6625 3.6628 4.8842 4.8847 5.4354 5.4377 5.5741 5.5795 6.6096 6.6180 6.7420 6.7426 6.7913 6.7943 7.3655 7.3664 k = 0.5071 0.0594-1.4813 ( 8208 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8649 -18.8647 -17.3423 -17.3423 -17.2219 -17.2218 -16.9809 -16.9808 -16.9403 -16.9402 -16.8555 -16.8553 -16.8284 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6450 -0.6450 -0.3301 -0.3278 -0.0315 -0.0302 0.2730 0.2736 0.6130 0.6170 0.7510 0.7539 0.9174 0.9176 3.6594 3.6596 4.8821 4.8824 5.4572 5.4587 5.5667 5.5698 6.6015 6.6057 6.7347 6.7350 6.7877 6.7892 7.3688 7.3693 k = 0.5000 0.0961-1.4813 ( 8228 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2219 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8283 -16.8283 -11.2117 -11.2117 -11.0246 -11.0246 -0.6455 -0.6455 -0.3296 -0.3296 -0.0311 -0.0311 0.2731 0.2731 0.6159 0.6159 0.7534 0.7534 0.9187 0.9187 3.6584 3.6584 4.8815 4.8815 5.4658 5.4658 5.5648 5.5648 6.6001 6.6001 6.7323 6.7323 6.7869 6.7869 7.3701 7.3701 k = 0.5000 0.0961-1.4813 ( 8228 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2219 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8283 -16.8283 -11.2117 -11.2117 -11.0246 -11.0246 -0.6455 -0.6455 -0.3296 -0.3296 -0.0311 -0.0311 0.2731 0.2731 0.6159 0.6159 0.7534 0.7534 0.9187 0.9187 3.6584 3.6584 4.8815 4.8815 5.4658 5.4658 5.5648 5.5648 6.6001 6.6001 6.7323 6.7323 6.7869 6.7869 7.3701 7.3701 k = 0.5325 0.1024-1.4699 ( 8204 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8283 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6459 -0.6456 -0.3301 -0.3279 -0.0330 -0.0296 0.2724 0.2732 0.6155 0.6166 0.7534 0.7536 0.9187 0.9188 3.6583 3.6584 4.8820 4.8820 5.4658 5.4658 5.5644 5.5645 6.5958 6.5986 6.7343 6.7357 6.7873 6.7894 7.3702 7.3702 k = 0.5650 0.1086-1.4586 ( 8202 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0246 -0.6468 -0.6462 -0.3294 -0.3251 -0.0354 -0.0286 0.2712 0.2728 0.6153 0.6174 0.7535 0.7540 0.9190 0.9191 3.6579 3.6581 4.8833 4.8833 5.4658 5.4658 5.5632 5.5633 6.5869 6.5918 6.7413 6.7433 6.7903 6.7945 7.3702 7.3703 k = 0.5975 0.1149-1.4472 ( 8202 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0247 -0.6482 -0.6473 -0.3276 -0.3213 -0.0382 -0.0281 0.2694 0.2718 0.6153 0.6185 0.7538 0.7545 0.9194 0.9195 3.6573 3.6577 4.8854 4.8854 5.4659 5.4659 5.5611 5.5614 6.5749 6.5812 6.7520 6.7541 6.7956 6.8017 7.3704 7.3704 k = 0.6300 0.1211-1.4358 ( 8198 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0247 -0.6499 -0.6488 -0.3247 -0.3164 -0.0415 -0.0280 0.2672 0.2705 0.6155 0.6196 0.7542 0.7551 0.9199 0.9202 3.6565 3.6570 4.8883 4.8884 5.4660 5.4660 5.5584 5.5587 6.5615 6.5685 6.7653 6.7669 6.8023 6.8101 7.3705 7.3706 k = 0.6625 0.1274-1.4244 ( 8195 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3422 -17.3422 -17.2219 -17.2217 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8552 -16.8283 -16.8282 -11.2119 -11.2119 -11.0248 -11.0247 -0.6520 -0.6507 -0.3210 -0.3106 -0.0451 -0.0283 0.2645 0.2688 0.6159 0.6209 0.7546 0.7558 0.9206 0.9209 3.6557 3.6563 4.8919 4.8920 5.4662 5.4662 5.5549 5.5553 6.5478 6.5551 6.7804 6.7811 6.8098 6.8190 7.3707 7.3708 k = 0.6625 0.1274-1.4244 ( 8195 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3422 -17.3422 -17.2219 -17.2217 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8552 -16.8283 -16.8282 -11.2119 -11.2119 -11.0248 -11.0247 -0.6520 -0.6507 -0.3210 -0.3106 -0.0451 -0.0283 0.2645 0.2688 0.6159 0.6209 0.7546 0.7558 0.9206 0.9209 3.6557 3.6563 4.8919 4.8920 5.4662 5.4662 5.5549 5.5553 6.5478 6.5551 6.7804 6.7811 6.8098 6.8190 7.3707 7.3708 k = 0.6584 0.1266-1.3874 ( 8195 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8647 -18.8647 -17.3422 -17.3422 -17.2219 -17.2216 -16.9808 -16.9807 -16.9401 -16.9401 -16.8557 -16.8550 -16.8282 -16.8281 -11.2123 -11.2123 -11.0252 -11.0251 -0.6549 -0.6541 -0.3208 -0.3088 -0.0442 -0.0221 0.2641 0.2695 0.6154 0.6227 0.7556 0.7566 0.9213 0.9214 3.6640 3.6646 4.8884 4.8884 5.4674 5.4674 5.5526 5.5531 6.5505 6.5589 6.7639 6.7661 6.8192 6.8277 7.3694 7.3697 k = 0.6544 0.1258-1.3504 ( 8192 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2657 -19.2655 -18.9000 -18.8998 -18.8646 -18.8646 -17.3422 -17.3422 -17.2219 -17.2215 -16.9808 -16.9807 -16.9400 -16.9400 -16.8557 -16.8548 -16.8282 -16.8279 -11.2129 -11.2129 -11.0258 -11.0257 -0.6606 -0.6602 -0.3178 -0.3045 -0.0419 -0.0147 0.2635 0.2702 0.6153 0.6250 0.7572 0.7579 0.9223 0.9225 3.6776 3.6781 4.8830 4.8833 5.4693 5.4693 5.5489 5.5496 6.5496 6.5589 6.7495 6.7525 6.8286 6.8370 7.3677 7.3681 k = 0.6503 0.1251-1.3133 ( 8194 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2656 -19.2654 -18.9000 -18.8997 -18.8645 -18.8645 -17.3421 -17.3421 -17.2219 -17.2213 -16.9808 -16.9806 -16.9399 -16.9398 -16.8558 -16.8546 -16.8281 -16.8278 -11.2138 -11.2138 -11.0267 -11.0265 -0.6692 -0.6691 -0.3122 -0.2975 -0.0385 -0.0061 0.2630 0.2709 0.6158 0.6278 0.7594 0.7597 0.9236 0.9242 3.6962 3.6966 4.8760 4.8764 5.4721 5.4721 5.5440 5.5448 6.5442 6.5543 6.7384 6.7419 6.8377 6.8460 7.3654 7.3660 k = 0.6463 0.1243-1.2763 ( 8197 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2656 -19.2653 -18.9000 -18.8996 -18.8644 -18.8643 -17.3420 -17.3420 -17.2218 -17.2212 -16.9808 -16.9805 -16.9397 -16.9396 -16.8558 -16.8544 -16.8280 -16.8276 -11.2150 -11.2150 -11.0279 -11.0276 -0.6807 -0.6802 -0.3041 -0.2879 -0.0343 0.0035 0.2625 0.2718 0.6169 0.6311 0.7621 0.7624 0.9254 0.9264 3.7197 3.7201 4.8672 4.8678 5.4755 5.4755 5.5377 5.5387 6.5345 6.5449 6.7314 6.7350 6.8459 6.8542 7.3625 7.3634 k = 0.6422 0.1235-1.2393 ( 8187 PWs) bands (ev): -38.0478 -38.0478 -36.0878 -36.0878 -35.9624 -35.9624 -19.2655 -19.2652 -18.9000 -18.8995 -18.8642 -18.8641 -17.3419 -17.3419 -17.2217 -17.2209 -16.9807 -16.9804 -16.9394 -16.9394 -16.8558 -16.8541 -16.8278 -16.8273 -11.2164 -11.2164 -11.0293 -11.0290 -0.6948 -0.6938 -0.2934 -0.2756 -0.0294 0.0141 0.2622 0.2729 0.6184 0.6348 0.7650 0.7660 0.9276 0.9290 3.7481 3.7484 4.8568 4.8575 5.4797 5.4797 5.5300 5.5311 6.5210 6.5313 6.7286 6.7320 6.8532 6.8613 7.3591 7.3602 k = 0.6381 0.1227-1.2022 ( 8189 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9624 -35.9624 -19.2654 -19.2650 -18.8999 -18.8994 -18.8640 -18.8639 -17.3418 -17.3418 -17.2216 -17.2207 -16.9806 -16.9803 -16.9392 -16.9391 -16.8558 -16.8538 -16.8276 -16.8270 -11.2180 -11.2180 -11.0308 -11.0305 -0.7112 -0.7097 -0.2806 -0.2608 -0.0242 0.0254 0.2624 0.2746 0.6205 0.6390 0.7685 0.7703 0.9302 0.9322 3.7811 3.7814 4.8445 4.8455 5.4846 5.4846 5.5208 5.5221 6.5048 6.5147 6.7291 6.7322 6.8593 6.8671 7.3547 7.3561 k = 0.6341 0.1219-1.1652 ( 8193 PWs) bands (ev): -38.0478 -38.0478 -36.0879 -36.0879 -35.9625 -35.9625 -19.2653 -19.2649 -18.8998 -18.8992 -18.8637 -18.8636 -17.3416 -17.3416 -17.2214 -17.2204 -16.9806 -16.9801 -16.9389 -16.9388 -16.8558 -16.8535 -16.8273 -16.8267 -11.2198 -11.2198 -11.0327 -11.0323 -0.7296 -0.7278 -0.2658 -0.2436 -0.0191 0.0371 0.2634 0.2771 0.6231 0.6438 0.7725 0.7752 0.9333 0.9358 3.8186 3.8188 4.8305 4.8317 5.4902 5.4902 5.5102 5.5116 6.4873 6.4966 6.7321 6.7348 6.8643 6.8716 7.3474 7.3503 k = 0.6300 0.1211-1.1282 ( 8189 PWs) bands (ev): -38.0479 -38.0479 -36.0879 -36.0879 -35.9625 -35.9625 -19.2652 -19.2647 -18.8998 -18.8991 -18.8634 -18.8633 -17.3415 -17.3415 -17.2213 -17.2202 -16.9805 -16.9800 -16.9385 -16.9384 -16.8557 -16.8532 -16.8270 -16.8264 -11.2219 -11.2219 -11.0347 -11.0342 -0.7499 -0.7477 -0.2493 -0.2240 -0.0143 0.0491 0.2657 0.2808 0.6263 0.6491 0.7770 0.7809 0.9368 0.9399 3.8603 3.8605 4.8146 4.8161 5.4948 5.4952 5.4997 5.5007 6.4698 6.4784 6.7366 6.7390 6.8681 6.8748 7.3345 7.3400 k = 0.6259 0.1204-1.0911 ( 8193 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9625 -35.9625 -19.2651 -19.2645 -18.8997 -18.8990 -18.8631 -18.8630 -17.3413 -17.3413 -17.2211 -17.2199 -16.9804 -16.9799 -16.9381 -16.9380 -16.8556 -16.8529 -16.8267 -16.8260 -11.2242 -11.2242 -11.0369 -11.0364 -0.7717 -0.7693 -0.2314 -0.2022 -0.0103 0.0609 0.2697 0.2861 0.6299 0.6549 0.7821 0.7871 0.9407 0.9446 3.9060 3.9062 4.7968 4.7985 5.4837 5.4853 5.5041 5.5041 6.4533 6.4611 6.7418 6.7440 6.8709 6.8769 7.3213 7.3275 k = 0.6219 0.1196-1.0541 ( 8195 PWs) bands (ev): -38.0479 -38.0479 -36.0880 -36.0880 -35.9626 -35.9626 -19.2649 -19.2643 -18.8996 -18.8988 -18.8628 -18.8627 -17.3411 -17.3411 -17.2208 -17.2196 -16.9803 -16.9797 -16.9377 -16.9376 -16.8555 -16.8526 -16.8263 -16.8256 -11.2266 -11.2266 -11.0392 -11.0387 -0.7950 -0.7924 -0.2125 -0.1784 -0.0075 0.0722 0.2762 0.2934 0.6341 0.6612 0.7877 0.7940 0.9451 0.9496 3.9555 3.9558 4.7769 4.7788 5.4690 5.4707 5.5116 5.5116 6.4382 6.4453 6.7469 6.7491 6.8729 6.8781 7.3094 7.3157 k = 0.6178 0.1188-1.0171 ( 8193 PWs) bands (ev): -38.0480 -38.0480 -36.0880 -36.0880 -35.9626 -35.9626 -19.2647 -19.2641 -18.8995 -18.8987 -18.8624 -18.8623 -17.3409 -17.3409 -17.2206 -17.2192 -16.9802 -16.9796 -16.9372 -16.9372 -16.8553 -16.8523 -16.8258 -16.8251 -11.2292 -11.2292 -11.0418 -11.0412 -0.8194 -0.8167 -0.1932 -0.1527 -0.0060 0.0829 0.2854 0.3028 0.6387 0.6681 0.7937 0.8015 0.9498 0.9552 4.0086 4.0088 4.7548 4.7570 5.4534 5.4551 5.5198 5.5198 6.4251 6.4314 6.7511 6.7535 6.8744 6.8787 7.2991 7.3051 k = 0.6138 0.1180-0.9800 ( 8213 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9627 -35.9627 -19.2646 -19.2639 -18.8994 -18.8985 -18.8620 -18.8619 -17.3407 -17.3407 -17.2204 -17.2189 -16.9801 -16.9794 -16.9368 -16.9367 -16.8552 -16.8521 -16.8254 -16.8247 -11.2320 -11.2320 -11.0444 -11.0439 -0.8448 -0.8420 -0.1740 -0.1255 -0.0059 0.0931 0.2980 0.3146 0.6439 0.6756 0.8003 0.8095 0.9550 0.9612 4.0649 4.0652 4.7303 4.7327 5.4374 5.4391 5.5285 5.5286 6.4139 6.4194 6.7539 6.7564 6.8759 6.8792 7.2906 7.2963 k = 0.6097 0.1172-0.9430 ( 8217 PWs) bands (ev): -38.0480 -38.0480 -36.0881 -36.0881 -35.9627 -35.9627 -19.2644 -19.2637 -18.8993 -18.8984 -18.8616 -18.8615 -17.3405 -17.3405 -17.2201 -17.2186 -16.9799 -16.9793 -16.9363 -16.9362 -16.8550 -16.8518 -16.8249 -16.8242 -11.2349 -11.2349 -11.0472 -11.0466 -0.8710 -0.8682 -0.1557 -0.0973 -0.0070 0.1033 0.3138 0.3289 0.6495 0.6836 0.8072 0.8181 0.9605 0.9676 4.1241 4.1245 4.7033 4.7060 5.4215 5.4232 5.5379 5.5379 6.4044 6.4092 6.7547 6.7573 6.8775 6.8800 7.2843 7.2894 k = 0.6056 0.1165-0.9060 ( 8212 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9627 -35.9627 -19.2642 -19.2635 -18.8992 -18.8982 -18.8612 -18.8610 -17.3403 -17.3403 -17.2198 -17.2182 -16.9798 -16.9791 -16.9357 -16.9356 -16.8548 -16.8515 -16.8244 -16.8236 -11.2379 -11.2379 -11.0502 -11.0495 -0.8977 -0.8949 -0.1391 -0.0695 -0.0080 0.1144 0.3329 0.3457 0.6557 0.6922 0.8146 0.8272 0.9663 0.9744 4.1860 4.1865 4.6737 4.6768 5.4063 5.4079 5.5477 5.5477 6.3962 6.4004 6.7530 6.7555 6.8795 6.8815 7.2724 7.2788 k = 0.6016 0.1157-0.8689 ( 8212 PWs) bands (ev): -38.0481 -38.0481 -36.0882 -36.0882 -35.9628 -35.9628 -19.2640 -19.2632 -18.8990 -18.8981 -18.8607 -18.8606 -17.3400 -17.3400 -17.2195 -17.2179 -16.9796 -16.9789 -16.9352 -16.9351 -16.8546 -16.8513 -16.8238 -16.8231 -11.2411 -11.2411 -11.0532 -11.0525 -0.9249 -0.9221 -0.1253 -0.0475 -0.0035 0.1273 0.3548 0.3646 0.6623 0.7014 0.8224 0.8368 0.9725 0.9816 4.2501 4.2507 4.6417 4.6451 5.3922 5.3936 5.5580 5.5580 6.3889 6.3925 6.7488 6.7510 6.8817 6.8836 7.2487 7.2551 k = 0.5975 0.1149-0.8319 ( 8219 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9628 -35.9628 -19.2638 -19.2630 -18.8989 -18.8979 -18.8602 -18.8601 -17.3398 -17.3398 -17.2192 -17.2175 -16.9795 -16.9788 -16.9346 -16.9345 -16.8544 -16.8510 -16.8232 -16.8225 -11.2443 -11.2443 -11.0563 -11.0556 -0.9523 -0.9495 -0.1149 -0.0414 0.0165 0.1430 0.3793 0.3856 0.6695 0.7112 0.8305 0.8469 0.9790 0.9892 4.3157 4.3165 4.6077 4.6114 5.3797 5.3809 5.5687 5.5687 6.3817 6.3847 6.7423 6.7439 6.8840 6.8860 7.2221 7.2279 k = 0.5934 0.1141-0.7949 ( 8216 PWs) bands (ev): -38.0482 -38.0482 -36.0883 -36.0883 -35.9629 -35.9629 -19.2635 -19.2628 -18.8987 -18.8978 -18.8597 -18.8596 -17.3395 -17.3395 -17.2188 -17.2171 -16.9793 -16.9786 -16.9340 -16.9339 -16.8542 -16.8508 -16.8226 -16.8219 -11.2476 -11.2476 -11.0594 -11.0587 -0.9797 -0.9770 -0.1084 -0.0460 0.0470 0.1620 0.4059 0.4082 0.6771 0.7217 0.8390 0.8574 0.9858 0.9972 4.3810 4.3823 4.5730 4.5773 5.3692 5.3701 5.5798 5.5798 6.3739 6.3765 6.7340 6.7347 6.8858 6.8884 7.1937 7.1989 k = 0.5894 0.1133-0.7578 ( 8226 PWs) bands (ev): -38.0482 -38.0482 -36.0884 -36.0884 -35.9629 -35.9629 -19.2633 -19.2626 -18.8986 -18.8976 -18.8592 -18.8591 -17.3393 -17.3393 -17.2185 -17.2168 -16.9792 -16.9785 -16.9333 -16.9333 -16.8540 -16.8506 -16.8219 -16.8213 -11.2509 -11.2509 -11.0626 -11.0619 -1.0071 -1.0044 -0.1058 -0.0544 0.0810 0.1845 0.4323 0.4341 0.6854 0.7328 0.8478 0.8683 0.9930 1.0055 4.4386 4.4408 4.5448 4.5501 5.3608 5.3613 5.5912 5.5912 6.3650 6.3672 6.7240 6.7243 6.8869 6.8902 7.1644 7.1690 k = 0.5853 0.1126-0.7208 ( 8223 PWs) bands (ev): -38.0483 -38.0483 -36.0884 -36.0884 -35.9630 -35.9630 -19.2631 -19.2623 -18.8985 -18.8975 -18.8587 -18.8586 -17.3391 -17.3390 -17.2181 -17.2164 -16.9791 -16.9783 -16.9327 -16.9326 -16.8538 -16.8504 -16.8213 -16.8207 -11.2543 -11.2543 -11.0658 -11.0651 -1.0342 -1.0316 -0.1066 -0.0647 0.1166 0.2101 0.4574 0.4636 0.6943 0.7447 0.8569 0.8796 1.0005 1.0141 4.4540 4.4549 4.5601 4.5642 5.3547 5.3548 5.6029 5.6029 6.3542 6.3562 6.7126 6.7138 6.8869 6.8910 7.1348 7.1389 k = 0.5813 0.1118-0.6838 ( 8227 PWs) bands (ev): -38.0483 -38.0483 -36.0885 -36.0885 -35.9630 -35.9630 -19.2629 -19.2621 -18.8983 -18.8974 -18.8582 -18.8581 -17.3388 -17.3388 -17.2178 -17.2161 -16.9789 -16.9782 -16.9321 -16.9320 -16.8535 -16.8502 -16.8206 -16.8201 -11.2577 -11.2577 -11.0690 -11.0683 -1.0609 -1.0584 -0.1103 -0.0760 0.1529 0.2381 0.4833 0.4941 0.7039 0.7573 0.8663 0.8912 1.0083 1.0230 4.4222 4.4233 4.6214 4.6237 5.3505 5.3508 5.6148 5.6148 6.3413 6.3432 6.7008 6.7030 6.8857 6.8905 7.1054 7.1090 k = 0.5772 0.1110-0.6467 ( 8240 PWs) bands (ev): -38.0484 -38.0484 -36.0885 -36.0885 -35.9631 -35.9631 -19.2626 -19.2619 -18.8982 -18.8972 -18.8577 -18.8576 -17.3386 -17.3386 -17.2174 -17.2157 -16.9788 -16.9780 -16.9315 -16.9314 -16.8533 -16.8500 -16.8199 -16.8195 -11.2610 -11.2610 -11.0722 -11.0715 -1.0871 -1.0847 -0.1163 -0.0880 0.1894 0.2680 0.5097 0.5250 0.7144 0.7706 0.8759 0.9030 1.0165 1.0323 4.3787 4.3804 4.6927 4.6945 5.3484 5.3490 5.6269 5.6269 6.3260 6.3280 6.6892 6.6921 6.8832 6.8886 7.0763 7.0796 k = 0.5731 0.1102-0.6097 ( 8247 PWs) bands (ev): -38.0484 -38.0484 -36.0886 -36.0886 -35.9631 -35.9631 -19.2624 -19.2617 -18.8980 -18.8971 -18.8572 -18.8571 -17.3384 -17.3383 -17.2171 -17.2154 -16.9786 -16.9779 -16.9308 -16.9308 -16.8531 -16.8499 -16.8193 -16.8188 -11.2644 -11.2644 -11.0754 -11.0747 -1.1126 -1.1103 -0.1239 -0.1005 0.2257 0.2988 0.5362 0.5561 0.7258 0.7848 0.8857 0.9150 1.0250 1.0418 4.3316 4.3337 4.7668 4.7684 5.3482 5.3492 5.6391 5.6391 6.3083 6.3105 6.6778 6.6813 6.8795 6.8853 7.0480 7.0509 k = 0.5691 0.1094-0.5727 ( 8243 PWs) bands (ev): -38.0484 -38.0484 -36.0886 -36.0886 -35.9632 -35.9632 -19.2622 -19.2614 -18.8979 -18.8970 -18.8567 -18.8566 -17.3381 -17.3381 -17.2167 -17.2151 -16.9785 -16.9777 -16.9302 -16.9301 -16.8529 -16.8498 -16.8186 -16.8182 -11.2677 -11.2677 -11.0785 -11.0778 -1.1374 -1.1352 -0.1327 -0.1132 0.2616 0.3300 0.5627 0.5871 0.7384 0.7998 0.8957 0.9272 1.0340 1.0516 4.2829 4.2850 4.8420 4.8437 5.3498 5.3510 5.6513 5.6514 6.2886 6.2912 6.6666 6.6704 6.8747 6.8808 7.0205 7.0232 k = 0.5650 0.1086-0.5356 ( 8231 PWs) bands (ev): -38.0485 -38.0485 -36.0886 -36.0886 -35.9632 -35.9632 -19.2620 -19.2612 -18.8977 -18.8969 -18.8561 -18.8561 -17.3379 -17.3379 -17.2164 -17.2148 -16.9783 -16.9776 -16.9296 -16.9295 -16.8526 -16.8496 -16.8179 -16.8175 -11.2709 -11.2709 -11.0815 -11.0809 -1.1613 -1.1592 -0.1424 -0.1259 0.2965 0.3608 0.5890 0.6174 0.7523 0.8155 0.9060 0.9393 1.0436 1.0618 4.2332 4.2354 4.9176 4.9196 5.3529 5.3543 5.6636 5.6636 6.2674 6.2704 6.6554 6.6592 6.8691 6.8751 6.9941 6.9965 k = 0.5609 0.1079-0.4986 ( 8240 PWs) bands (ev): -38.0485 -38.0485 -36.0887 -36.0887 -35.9633 -35.9633 -19.2617 -19.2610 -18.8976 -18.8968 -18.8557 -18.8556 -17.3377 -17.3377 -17.2160 -17.2145 -16.9782 -16.9775 -16.9289 -16.9289 -16.8524 -16.8495 -16.8172 -16.8169 -11.2740 -11.2740 -11.0845 -11.0838 -1.1842 -1.1823 -0.1525 -0.1386 0.3301 0.3906 0.6147 0.6467 0.7678 0.8320 0.9164 0.9514 1.0537 1.0722 4.1831 4.1853 4.9929 4.9954 5.3573 5.3588 5.6757 5.6758 6.2450 6.2486 6.6439 6.6475 6.8626 6.8683 6.9687 6.9710 k = 0.5569 0.1071-0.4616 ( 8248 PWs) bands (ev): -38.0486 -38.0486 -36.0887 -36.0887 -35.9633 -35.9633 -19.2615 -19.2608 -18.8975 -18.8967 -18.8552 -18.8551 -17.3375 -17.3374 -17.2157 -17.2142 -16.9781 -16.9774 -16.9284 -16.9283 -16.8522 -16.8495 -16.8166 -16.8163 -11.2770 -11.2770 -11.0873 -11.0867 -1.2061 -1.2042 -0.1628 -0.1510 0.3621 0.4190 0.6399 0.6746 0.7852 0.8491 0.9269 0.9631 1.0645 1.0829 4.1331 4.1353 5.0674 5.0707 5.3629 5.3640 5.6877 5.6877 6.2222 6.2265 6.6318 6.6350 6.8557 6.8608 6.9447 6.9468 k = 0.5528 0.1063-0.4245 ( 8246 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2613 -19.2607 -18.8973 -18.8966 -18.8547 -18.8547 -17.3373 -17.3372 -17.2154 -17.2139 -16.9779 -16.9773 -16.9278 -16.9278 -16.8519 -16.8494 -16.8159 -16.8157 -11.2799 -11.2799 -11.0900 -11.0894 -1.2268 -1.2251 -0.1732 -0.1631 0.3921 0.4453 0.6643 0.7005 0.8044 0.8667 0.9375 0.9743 1.0761 1.0939 4.0837 4.0858 5.1405 5.1451 5.3695 5.3699 5.6994 5.6995 6.1997 6.2045 6.6187 6.6214 6.8483 6.8528 6.9220 6.9239 k = 0.5488 0.1055-0.3875 ( 8260 PWs) bands (ev): -38.0486 -38.0486 -36.0888 -36.0888 -35.9634 -35.9634 -19.2611 -19.2605 -18.8972 -18.8965 -18.8543 -18.8543 -17.3371 -17.3371 -17.2151 -17.2137 -16.9778 -16.9772 -16.9273 -16.9272 -16.8517 -16.8494 -16.8153 -16.8152 -11.2826 -11.2826 -11.0926 -11.0921 -1.2462 -1.2446 -0.1833 -0.1747 0.4199 0.4692 0.6878 0.7243 0.8255 0.8847 0.9482 0.9849 1.0885 1.1051 4.0353 4.0373 5.2110 5.2179 5.3762 5.3777 5.7108 5.7109 6.1779 6.1833 6.6044 6.6065 6.8407 6.8443 6.9008 6.9025 k = 0.5447 0.1047-0.3505 ( 8257 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2609 -19.2604 -18.8971 -18.8964 -18.8539 -18.8538 -17.3369 -17.3369 -17.2148 -17.2135 -16.9777 -16.9771 -16.9267 -16.9267 -16.8515 -16.8493 -16.8148 -16.8146 -11.2852 -11.2852 -11.0950 -11.0945 -1.2644 -1.2629 -0.1931 -0.1857 0.4453 0.4906 0.7101 0.7458 0.8481 0.9030 0.9588 0.9946 1.1016 1.1166 3.9884 3.9902 5.2764 5.2879 5.3834 5.3892 5.7218 5.7219 6.1574 6.1633 6.5888 6.5903 6.8330 6.8357 6.8810 6.8826 k = 0.5406 0.1040-0.3134 ( 8247 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2607 -19.2602 -18.8970 -18.8964 -18.8535 -18.8534 -17.3367 -17.3367 -17.2145 -17.2133 -16.9776 -16.9770 -16.9262 -16.9262 -16.8513 -16.8493 -16.8142 -16.8141 -11.2877 -11.2877 -11.0973 -11.0968 -1.2812 -1.2798 -0.2024 -0.1961 0.4681 0.5092 0.7312 0.7649 0.8717 0.9213 0.9693 1.0033 1.1153 1.1283 3.9434 3.9451 5.3294 5.3499 5.3961 5.4105 5.7324 5.7324 6.1385 6.1449 6.5718 6.5726 6.8253 6.8271 6.8629 6.8643 k = 0.5366 0.1032-0.2764 ( 8247 PWs) bands (ev): -38.0487 -38.0487 -36.0889 -36.0889 -35.9635 -35.9635 -19.2606 -19.2601 -18.8969 -18.8963 -18.8531 -18.8531 -17.3366 -17.3366 -17.2142 -17.2131 -16.9774 -16.9770 -16.9258 -16.9258 -16.8511 -16.8493 -16.8137 -16.8136 -11.2899 -11.2899 -11.0994 -11.0989 -1.2965 -1.2953 -0.2112 -0.2058 0.4883 0.5252 0.7507 0.7817 0.8957 0.9394 0.9796 1.0110 1.1293 1.1400 3.9007 3.9022 5.3592 5.3795 5.4379 5.4519 5.7423 5.7423 6.1216 6.1283 6.5534 6.5538 6.8177 6.8186 6.8463 6.8476 k = 0.5325 0.1024-0.2394 ( 8265 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2604 -19.2600 -18.8968 -18.8963 -18.8528 -18.8528 -17.3364 -17.3364 -17.2140 -17.2130 -16.9774 -16.9769 -16.9254 -16.9254 -16.8510 -16.8493 -16.8133 -16.8132 -11.2919 -11.2919 -11.1013 -11.1009 -1.3104 -1.3093 -0.2192 -0.2146 0.5061 0.5387 0.7686 0.7963 0.9194 0.9571 0.9895 1.0176 1.1433 1.1517 3.8609 3.8622 5.3725 5.3874 5.4973 5.5060 5.7515 5.7516 6.1068 6.1136 6.5340 6.5340 6.8103 6.8105 6.8314 6.8325 k = 0.5284 0.1016-0.2024 ( 8266 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2603 -19.2599 -18.8967 -18.8962 -18.8525 -18.8525 -17.3363 -17.3363 -17.2137 -17.2128 -16.9773 -16.9769 -16.9250 -16.9250 -16.8508 -16.8493 -16.8129 -16.8128 -11.2937 -11.2937 -11.1030 -11.1026 -1.3227 -1.3218 -0.2264 -0.2226 0.5215 0.5498 0.7845 0.8088 0.9419 0.9740 0.9988 1.0231 1.1569 1.1631 3.8243 3.8255 5.3796 5.3914 5.5560 5.5615 5.7600 5.7600 6.0941 6.1010 6.5136 6.5140 6.8028 6.8031 6.8183 6.8191 k = 0.5244 0.1008-0.1653 ( 8270 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2602 -19.2598 -18.8966 -18.8962 -18.8522 -18.8522 -17.3362 -17.3362 -17.2135 -17.2127 -16.9772 -16.9768 -16.9247 -16.9247 -16.8506 -16.8494 -16.8125 -16.8125 -11.2953 -11.2953 -11.1044 -11.1041 -1.3335 -1.3327 -0.2328 -0.2297 0.5347 0.5587 0.7986 0.8192 0.9628 0.9898 1.0075 1.0276 1.1698 1.1739 3.7915 3.7925 5.3842 5.3938 5.6107 5.6143 5.7676 5.7677 6.0836 6.0903 6.4933 6.4939 6.7957 6.7964 6.8069 6.8075 k = 0.5203 0.1001-0.1283 ( 8269 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9636 -35.9636 -19.2600 -19.2597 -18.8965 -18.8962 -18.8520 -18.8520 -17.3361 -17.3361 -17.2133 -17.2127 -16.9771 -16.9768 -16.9244 -16.9244 -16.8505 -16.8494 -16.8122 -16.8122 -11.2967 -11.2967 -11.1057 -11.1054 -1.3426 -1.3419 -0.2383 -0.2358 0.5459 0.5657 0.8106 0.8277 0.9814 1.0040 1.0155 1.0309 1.1814 1.1840 3.7629 3.7637 5.3874 5.3953 5.6602 5.6625 5.7744 5.7744 6.0750 6.0814 6.4737 6.4744 6.7893 6.7901 6.7973 6.7977 k = 0.5163 0.0993-0.0913 ( 8276 PWs) bands (ev): -38.0488 -38.0488 -36.0890 -36.0890 -35.9637 -35.9637 -19.2599 -19.2597 -18.8964 -18.8962 -18.8518 -18.8518 -17.3360 -17.3360 -17.2131 -17.2126 -16.9770 -16.9768 -16.9242 -16.9242 -16.8503 -16.8495 -16.8119 -16.8119 -11.2979 -11.2979 -11.1067 -11.1065 -1.3501 -1.3496 -0.2428 -0.2408 0.5551 0.5708 0.8207 0.8341 0.9972 1.0162 1.0227 1.0332 1.1914 1.1928 3.7388 3.7395 5.3896 5.3959 5.7031 5.7044 5.7802 5.7802 6.0682 6.0741 6.4556 6.4564 6.7839 6.7845 6.7895 6.7897 k = 0.5122 0.0985-0.0542 ( 8267 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2597 -18.8964 -18.8962 -18.8517 -18.8517 -17.3360 -17.3360 -17.2130 -17.2126 -16.9770 -16.9768 -16.9240 -16.9240 -16.8502 -16.8495 -16.8117 -16.8117 -11.2987 -11.2987 -11.1075 -11.1074 -1.3560 -1.3556 -0.2463 -0.2449 0.5626 0.5743 0.8288 0.8388 1.0099 1.0261 1.0290 1.0344 1.1996 1.2002 3.7197 3.7202 5.3913 5.3960 5.7381 5.7387 5.7853 5.7853 6.0632 6.0681 6.4400 6.4408 6.7794 6.7798 6.7835 6.7837 k = 0.5081 0.0977-0.0172 ( 8263 PWs) bands (ev): -38.0488 -38.0488 -36.0891 -36.0891 -35.9637 -35.9637 -19.2598 -19.2596 -18.8963 -18.8962 -18.8516 -18.8516 -17.3359 -17.3359 -17.2128 -17.2126 -16.9769 -16.9768 -16.9239 -16.9239 -16.8500 -16.8496 -16.8116 -16.8116 -11.2994 -11.2994 -11.1081 -11.1080 -1.3602 -1.3599 -0.2488 -0.2478 0.5684 0.5761 0.8350 0.8416 1.0194 1.0332 1.0342 1.0346 1.2056 1.2057 3.7058 3.7061 5.3926 5.3958 5.7632 5.7633 5.7903 5.7903 6.0598 6.0634 6.4280 6.4285 6.7759 6.7761 6.7793 6.7796 k = 0.5041 0.0969 0.0198 ( 8274 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8963 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2128 -17.2126 -16.9769 -16.9768 -16.9238 -16.9238 -16.8499 -16.8497 -16.8115 -16.8115 -11.2998 -11.2998 -11.1085 -11.1084 -1.3627 -1.3625 -0.2502 -0.2497 0.5726 0.5764 0.8393 0.8426 1.0261 1.0332 1.0377 1.0378 1.2092 1.2092 3.6974 3.6976 5.3936 5.3952 5.7763 5.7764 5.7958 5.7958 6.0582 6.0601 6.4203 6.4207 6.7737 6.7737 6.7768 6.7771 k = 0.5000 0.0961 0.0569 ( 8276 PWs) bands (ev): -38.0489 -38.0489 -36.0891 -36.0891 -35.9637 -35.9637 -19.2597 -19.2597 -18.8962 -18.8962 -18.8515 -18.8515 -17.3359 -17.3359 -17.2127 -17.2127 -16.9768 -16.9768 -16.9238 -16.9238 -16.8498 -16.8498 -16.8115 -16.8115 -11.2999 -11.2999 -11.1086 -11.1086 -1.3634 -1.3634 -0.2505 -0.2505 0.5752 0.5752 0.8418 0.8418 1.0305 1.0305 1.0391 1.0391 1.2104 1.2104 3.6947 3.6947 5.3945 5.3945 5.7798 5.7798 5.7987 5.7987 6.0583 6.0583 6.4178 6.4178 6.7729 6.7729 6.7761 6.7761 k = 0.5000-1.2520-0.7407 ( 8210 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8282 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6660 -0.6660 -0.2637 -0.2637 -0.0691 -0.0691 0.2468 0.2468 0.6243 0.6243 0.7595 0.7595 0.9266 0.9266 3.6355 3.6355 4.9367 4.9367 5.4659 5.4659 5.5208 5.5208 6.4711 6.4711 6.8282 6.8282 6.9329 6.9329 7.3750 7.3750 k = 0.5325-1.2424-0.7350 ( 8211 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8283 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6659 -0.6656 -0.2663 -0.2628 -0.0709 -0.0660 0.2464 0.2476 0.6238 0.6246 0.7592 0.7596 0.9265 0.9266 3.6357 3.6359 4.9359 4.9359 5.4659 5.4659 5.5214 5.5214 6.4713 6.4724 6.8276 6.8290 6.9309 6.9311 7.3749 7.3751 k = 0.5650-1.2328-0.7293 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8554 -16.8554 -16.8282 -16.8282 -11.2117 -11.2117 -11.0246 -11.0246 -0.6655 -0.6648 -0.2706 -0.2638 -0.0714 -0.0620 0.2467 0.2491 0.6231 0.6248 0.7588 0.7596 0.9261 0.9264 3.6365 3.6368 4.9337 4.9338 5.4659 5.4659 5.5232 5.5233 6.4730 6.4751 6.8271 6.8299 6.9251 6.9254 7.3748 7.3749 k = 0.5975-1.2231-0.7236 ( 8196 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2218 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8554 -16.8282 -16.8282 -11.2118 -11.2118 -11.0246 -11.0246 -0.6646 -0.6636 -0.2760 -0.2666 -0.0706 -0.0574 0.2476 0.2509 0.6224 0.6248 0.7584 0.7595 0.9256 0.9261 3.6379 3.6383 4.9302 4.9304 5.4659 5.4659 5.5260 5.5261 6.4763 6.4792 6.8267 6.8307 6.9154 6.9161 7.3745 7.3746 k = 0.6300-1.2135-0.7179 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8554 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0246 -0.6633 -0.6621 -0.2824 -0.2710 -0.0686 -0.0524 0.2490 0.2532 0.6215 0.6246 0.7578 0.7592 0.9250 0.9255 3.6397 3.6402 4.9257 4.9258 5.4659 5.4659 5.5297 5.5298 6.4812 6.4851 6.8261 6.8309 6.9023 6.9035 7.3741 7.3742 k = 0.6625-1.2039-0.7122 ( 8205 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0246 -0.6618 -0.6603 -0.2893 -0.2766 -0.0656 -0.0474 0.2510 0.2557 0.6205 0.6243 0.7572 0.7588 0.9243 0.9249 3.6419 3.6426 4.9203 4.9205 5.4659 5.4659 5.5339 5.5341 6.4879 6.4926 6.8251 6.8304 6.8862 6.8881 7.3736 7.3737 k = 0.6950-1.1943-0.7065 ( 8203 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.9000 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0247 -0.6600 -0.6584 -0.2964 -0.2832 -0.0619 -0.0425 0.2533 0.2584 0.6196 0.6238 0.7566 0.7583 0.9235 0.9241 3.6444 3.6452 4.9145 4.9147 5.4660 5.4660 5.5385 5.5387 6.4965 6.5019 6.8234 6.8286 6.8674 6.8705 7.3731 7.3731 k = 0.7275-1.1847-0.7008 ( 8198 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2657 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0247 -0.6580 -0.6563 -0.3034 -0.2902 -0.0578 -0.0381 0.2560 0.2612 0.6186 0.6232 0.7560 0.7577 0.9227 0.9233 3.6472 3.6479 4.9085 4.9087 5.4660 5.4660 5.5430 5.5433 6.5070 6.5130 6.8210 6.8247 6.8469 6.8522 7.3724 7.3725 k = 0.7600-1.1751-0.6952 ( 8198 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0247 -11.0247 -0.6559 -0.6543 -0.3100 -0.2974 -0.0535 -0.0342 0.2588 0.2639 0.6176 0.6225 0.7555 0.7571 0.9220 0.9225 3.6500 3.6508 4.9025 4.9027 5.4661 5.4661 5.5474 5.5477 6.5193 6.5258 6.8162 6.8170 6.8257 6.8361 7.3718 7.3719 k = 0.7925-1.1655-0.6895 ( 8200 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3423 -17.3423 -17.2219 -17.2218 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8553 -16.8283 -16.8282 -11.2118 -11.2118 -11.0248 -11.0247 -0.6539 -0.6524 -0.3159 -0.3043 -0.0492 -0.0309 0.2617 0.2665 0.6167 0.6217 0.7550 0.7565 0.9212 0.9217 3.6529 3.6536 4.8969 4.8971 5.4661 5.4661 5.5514 5.5517 6.5330 6.5400 6.8004 6.8017 6.8147 6.8260 7.3712 7.3713 k = 0.8250-1.1558-0.6838 ( 8195 PWs) bands (ev): -38.0477 -38.0477 -36.0878 -36.0878 -35.9623 -35.9623 -19.2657 -19.2656 -18.9000 -18.8999 -18.8648 -18.8648 -17.3422 -17.3422 -17.2219 -17.2217 -16.9808 -16.9808 -16.9402 -16.9402 -16.8555 -16.8552 -16.8283 -16.8282 -11.2119 -11.2119 -11.0248 -11.0247 -0.6520 -0.6507 -0.3210 -0.3106 -0.0451 -0.0283 0.2645 0.2688 0.6159 0.6209 0.7546 0.7558 0.9206 0.9209 3.6557 3.6563 4.8919 4.8920 5.4662 5.4662 5.5549 5.5553 6.5478 6.5551 6.7804 6.7811 6.8098 6.8190 7.3707 7.3708 Writing output data file Ca3SiBr2.save init_run : 5.26s CPU 13.01s WALL ( 1 calls) electrons : 5361.27s CPU 5390.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.86s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 5361.24s CPU 5390.01s WALL ( 1 calls) v_of_rho : 0.30s CPU 1.12s WALL ( 1 calls) v_h : 0.09s CPU 0.16s WALL ( 1 calls) v_xc : 0.21s CPU 0.67s WALL ( 1 calls) newd : 0.44s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.34s WALL ( 261 calls) cegterg : 5160.82s CPU 5186.08s WALL ( 1377 calls) Called by sum_band: Called by *egterg: h_psi : 4305.00s CPU 4337.78s WALL ( 27337 calls) s_psi : 74.71s CPU 75.44s WALL ( 27337 calls) g_psi : 2.18s CPU 2.17s WALL ( 25699 calls) cdiaghg : 643.30s CPU 637.11s WALL ( 25960 calls) cegterg:over : 133.74s CPU 127.41s WALL ( 25699 calls) cegterg:upda : 47.66s CPU 56.01s WALL ( 25699 calls) cegterg:last : 32.30s CPU 33.47s WALL ( 3087 calls) Called by h_psi: h_psi:vloc : 4146.29s CPU 4176.16s WALL ( 27337 calls) h_psi:vnl : 157.48s CPU 159.01s WALL ( 27337 calls) add_vuspsi : 53.65s CPU 63.68s WALL ( 27337 calls) General routines calbec : 103.71s CPU 95.01s WALL ( 27337 calls) fft : 0.30s CPU 1.15s WALL ( 19 calls) ffts : 0.23s CPU 0.34s WALL ( 4 calls) fftw : 3398.22s CPU 3412.36s WALL ( 1998984 calls) interpolate : 0.26s CPU 0.39s WALL ( 4 calls) davcio : 0.02s CPU 2.15s WALL ( 522 calls) Parallel routines fft_scatter : 1445.72s CPU 1444.22s WALL ( 1999007 calls) PWSCF : 1h30m CPU 1h33m WALL This run was terminated on: 14:52:49 20Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=