Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:43:33 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./KYS2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 38 11 1497 669 109 Max 66 39 12 1499 689 111 Sum 2347 1383 407 53905 24489 3937 bravais-lattice index = 14 lattice parameter (alat) = 14.4664 a.u. unit-cell volume = 689.4938 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.466374 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.862010 celldm(5)= 0.862010 celldm(6)= 0.862010 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.862010 0.506890 0.000000 ) a(3) = ( 0.862010 0.234663 0.449301 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.700585 -1.030370 ) b(2) = ( 0.000000 1.972813 -1.030370 ) b(3) = ( 0.000000 0.000000 2.225680 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 S 6.00 32.06500 S( 1.00) K 9.00 39.09830 K( 1.00) Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, 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 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0108696 -0.0184846 -0.0111997), wk = 0.0033223 k( 3) = ( 0.0217391 -0.0369692 -0.0223993), wk = 0.0033223 k( 4) = ( 0.0326087 -0.0554539 -0.0335990), wk = 0.0033223 k( 5) = ( 0.0434783 -0.0739385 -0.0447987), wk = 0.0033223 k( 6) = ( 0.0543478 -0.0924231 -0.0559984), wk = 0.0033223 k( 7) = ( 0.0652174 -0.1109077 -0.0671980), wk = 0.0033223 k( 8) = ( 0.0760870 -0.1293924 -0.0783977), wk = 0.0033223 k( 9) = ( 0.0869565 -0.1478770 -0.0895974), wk = 0.0033223 k( 10) = ( 0.0978261 -0.1663616 -0.1007971), wk = 0.0033223 k( 11) = ( 0.1086957 -0.1848462 -0.1119967), wk = 0.0033223 k( 12) = ( 0.1195652 -0.2033309 -0.1231964), wk = 0.0033223 k( 13) = ( 0.1304348 -0.2218155 -0.1343961), wk = 0.0033223 k( 14) = ( 0.1413043 -0.2403001 -0.1455958), wk = 0.0033223 k( 15) = ( 0.1521739 -0.2587847 -0.1567954), wk = 0.0033223 k( 16) = ( 0.1630435 -0.2772694 -0.1679951), wk = 0.0033223 k( 17) = ( 0.1739130 -0.2957540 -0.1791948), wk = 0.0033223 k( 18) = ( 0.1847826 -0.3142386 -0.1903945), wk = 0.0033223 k( 19) = ( 0.1956522 -0.3327232 -0.2015941), wk = 0.0033223 k( 20) = ( 0.2065217 -0.3512079 -0.2127938), wk = 0.0033223 k( 21) = ( 0.2173913 -0.3696925 -0.2239935), wk = 0.0033223 k( 22) = ( 0.2282609 -0.3881771 -0.2351932), wk = 0.0033223 k( 23) = ( 0.2391304 -0.4066617 -0.2463928), wk = 0.0033223 k( 24) = ( 0.2500000 -0.4251464 -0.2575925), wk = 0.0033223 k( 25) = ( 0.2608696 -0.4436310 -0.2687922), wk = 0.0033223 k( 26) = ( 0.2717391 -0.4621156 -0.2799919), wk = 0.0033223 k( 27) = ( 0.2826087 -0.4806003 -0.2911916), wk = 0.0033223 k( 28) = ( 0.2934783 -0.4990849 -0.3023912), wk = 0.0033223 k( 29) = ( 0.3043478 -0.5175695 -0.3135909), wk = 0.0033223 k( 30) = ( 0.3152174 -0.5360541 -0.3247906), wk = 0.0033223 k( 31) = ( 0.3260870 -0.5545388 -0.3359903), wk = 0.0033223 k( 32) = ( 0.3369565 -0.5730234 -0.3471899), wk = 0.0033223 k( 33) = ( 0.3478261 -0.5915080 -0.3583896), wk = 0.0033223 k( 34) = ( 0.3586956 -0.6099926 -0.3695893), wk = 0.0033223 k( 35) = ( 0.3695652 -0.6284773 -0.3807890), wk = 0.0033223 k( 36) = ( 0.3804348 -0.6469619 -0.3919886), wk = 0.0033223 k( 37) = ( 0.3913044 -0.6654465 -0.4031883), wk = 0.0033223 k( 38) = ( 0.4021739 -0.6839311 -0.4143880), wk = 0.0033223 k( 39) = ( 0.4130435 -0.7024158 -0.4255877), wk = 0.0033223 k( 40) = ( 0.4239130 -0.7209004 -0.4367873), wk = 0.0033223 k( 41) = ( 0.4347826 -0.7393850 -0.4479870), wk = 0.0033223 k( 42) = ( 0.4456522 -0.7578696 -0.4591867), wk = 0.0033223 k( 43) = ( 0.4565217 -0.7763543 -0.4703863), wk = 0.0033223 k( 44) = ( 0.4673913 -0.7948389 -0.4815860), wk = 0.0033223 k( 45) = ( 0.4782609 -0.8133235 -0.4927857), wk = 0.0033223 k( 46) = ( 0.4891304 -0.8318081 -0.5039854), wk = 0.0033223 k( 47) = ( 0.5000000 -0.8502927 -0.5151850), wk = 0.0033223 k( 48) = ( 0.5000000 -0.8502927 -0.5151850), wk = 0.0033223 k( 49) = ( 0.5000000 -0.8378060 -0.5357939), wk = 0.0033223 k( 50) = ( 0.5000000 -0.8253194 -0.5564026), wk = 0.0033223 k( 51) = ( 0.5000000 -0.8128327 -0.5770115), wk = 0.0033223 k( 52) = ( 0.5000000 -0.8003460 -0.5976202), wk = 0.0033223 k( 53) = ( 0.5000000 -0.7878593 -0.6182291), wk = 0.0033223 k( 54) = ( 0.5000000 -0.7753726 -0.6388378), wk = 0.0033223 k( 55) = ( 0.5000000 -0.7628859 -0.6594466), wk = 0.0033223 k( 56) = ( 0.5000000 -0.7503992 -0.6800554), wk = 0.0033223 k( 57) = ( 0.5000000 -0.7379125 -0.7006642), wk = 0.0033223 k( 58) = ( 0.5000000 -0.7254258 -0.7212731), wk = 0.0033223 k( 59) = ( 0.5000000 -0.7129391 -0.7418818), wk = 0.0033223 k( 60) = ( 0.5000000 -0.7004524 -0.7624907), wk = 0.0033223 k( 61) = ( 0.5000000 -0.6879657 -0.7830994), wk = 0.0033223 k( 62) = ( 0.5000000 -0.6754790 -0.8037082), wk = 0.0033223 k( 63) = ( 0.5000000 -0.6629923 -0.8243170), wk = 0.0033223 k( 64) = ( 0.5000000 -0.6505056 -0.8449258), wk = 0.0033223 k( 65) = ( 0.5000000 -0.6380189 -0.8655347), wk = 0.0033223 k( 66) = ( 0.5000000 -0.6255323 -0.8861434), wk = 0.0033223 k( 67) = ( 0.5000000 -0.6130456 -0.9067523), wk = 0.0033223 k( 68) = ( 0.5000000 -0.6005589 -0.9273610), wk = 0.0033223 k( 69) = ( 0.5000000 -0.5880722 -0.9479698), wk = 0.0033223 k( 70) = ( 0.5000000 -0.5755855 -0.9685786), wk = 0.0033223 k( 71) = ( 0.5000000 -0.5630988 -0.9891874), wk = 0.0033223 k( 72) = ( 0.5000000 -0.5506121 -1.0097962), wk = 0.0033223 k( 73) = ( 0.5000000 -0.5381254 -1.0304050), wk = 0.0033223 k( 74) = ( 0.5000000 -0.5256387 -1.0510139), wk = 0.0033223 k( 75) = ( 0.5000000 -0.5131520 -1.0716226), wk = 0.0033223 k( 76) = ( 0.5000000 -0.5006653 -1.0922314), wk = 0.0033223 k( 77) = ( 0.5000000 -0.4881786 -1.1128402), wk = 0.0033223 k( 78) = ( 0.8164478 -0.4020328 -0.9479000), wk = 0.0033223 k( 79) = ( 0.8101189 -0.3912699 -0.9272926), wk = 0.0033223 k( 80) = ( 0.8037899 -0.3805070 -0.9066851), wk = 0.0033223 k( 81) = ( 0.7974609 -0.3697440 -0.8860778), wk = 0.0033223 k( 82) = ( 0.7911320 -0.3589811 -0.8654703), wk = 0.0033223 k( 83) = ( 0.7848030 -0.3482182 -0.8448630), wk = 0.0033223 k( 84) = ( 0.7784741 -0.3374552 -0.8242555), wk = 0.0033223 k( 85) = ( 0.7721451 -0.3266923 -0.8036481), wk = 0.0033223 k( 86) = ( 0.7658162 -0.3159294 -0.7830408), wk = 0.0033223 k( 87) = ( 0.7594872 -0.3051664 -0.7624333), wk = 0.0033223 k( 88) = ( 0.7531583 -0.2944035 -0.7418259), wk = 0.0033223 k( 89) = ( 0.7468293 -0.2836406 -0.7212185), wk = 0.0033223 k( 90) = ( 0.7405003 -0.2728777 -0.7006111), wk = 0.0033223 k( 91) = ( 0.7341714 -0.2621147 -0.6800037), wk = 0.0033223 k( 92) = ( 0.7278424 -0.2513518 -0.6593963), wk = 0.0033223 k( 93) = ( 0.7215135 -0.2405889 -0.6387889), wk = 0.0033223 k( 94) = ( 0.7151845 -0.2298259 -0.6181815), wk = 0.0033223 k( 95) = ( 0.7088556 -0.2190630 -0.5975741), wk = 0.0033223 k( 96) = ( 0.7025266 -0.2083001 -0.5769667), wk = 0.0033223 k( 97) = ( 0.6961977 -0.1975371 -0.5563593), wk = 0.0033223 k( 98) = ( 0.6898687 -0.1867742 -0.5357519), wk = 0.0033223 k( 99) = ( 0.6835397 -0.1760113 -0.5151445), wk = 0.0033223 k( 100) = ( 0.6772108 -0.1652483 -0.4945371), wk = 0.0033223 k( 101) = ( 0.6708818 -0.1544854 -0.4739297), wk = 0.0033223 k( 102) = ( 0.6645529 -0.1437225 -0.4533223), wk = 0.0033223 k( 103) = ( 0.6582239 -0.1329595 -0.4327149), wk = 0.0033223 k( 104) = ( 0.6518949 -0.1221966 -0.4121075), wk = 0.0033223 k( 105) = ( 0.6455660 -0.1114337 -0.3915001), wk = 0.0033223 k( 106) = ( 0.6392370 -0.1006708 -0.3708927), wk = 0.0033223 k( 107) = ( 0.6329081 -0.0899078 -0.3502853), wk = 0.0033223 k( 108) = ( 0.6265791 -0.0791449 -0.3296779), wk = 0.0033223 k( 109) = ( 0.6202502 -0.0683820 -0.3090705), wk = 0.0033223 k( 110) = ( 0.6139212 -0.0576190 -0.2884631), wk = 0.0033223 k( 111) = ( 0.6075923 -0.0468561 -0.2678557), wk = 0.0033223 k( 112) = ( 0.6012633 -0.0360932 -0.2472483), wk = 0.0033223 k( 113) = ( 0.5949343 -0.0253302 -0.2266409), wk = 0.0033223 k( 114) = ( 0.5886054 -0.0145673 -0.2060335), wk = 0.0033223 k( 115) = ( 0.5822764 -0.0038044 -0.1854261), wk = 0.0033223 k( 116) = ( 0.5759475 0.0069586 -0.1648187), wk = 0.0033223 k( 117) = ( 0.5696185 0.0177215 -0.1442113), wk = 0.0033223 k( 118) = ( 0.5632896 0.0284844 -0.1236039), wk = 0.0033223 k( 119) = ( 0.5569606 0.0392474 -0.1029965), wk = 0.0033223 k( 120) = ( 0.5506317 0.0500103 -0.0823891), wk = 0.0033223 k( 121) = ( 0.5443027 0.0607732 -0.0617817), wk = 0.0033223 k( 122) = ( 0.5379737 0.0715361 -0.0411743), wk = 0.0033223 k( 123) = ( 0.5316448 0.0822991 -0.0205669), wk = 0.0033223 k( 124) = ( 0.5253158 0.0930620 0.0000405), wk = 0.0033223 k( 125) = ( 0.5189869 0.1038249 0.0206479), wk = 0.0033223 k( 126) = ( 0.5126579 0.1145879 0.0412553), wk = 0.0033223 k( 127) = ( 0.5063290 0.1253508 0.0618627), wk = 0.0033223 k( 128) = ( 0.5000000 0.1361137 0.0824701), wk = 0.0033223 k( 129) = ( 0.5000000 0.1361137 0.0824701), wk = 0.0033223 k( 130) = ( 0.4772727 0.1299268 0.0787215), wk = 0.0033223 k( 131) = ( 0.4545455 0.1237398 0.0749729), wk = 0.0033223 k( 132) = ( 0.4318182 0.1175528 0.0712242), wk = 0.0033223 k( 133) = ( 0.4090909 0.1113658 0.0674756), wk = 0.0033223 k( 134) = ( 0.3863636 0.1051788 0.0637269), wk = 0.0033223 k( 135) = ( 0.3636364 0.0989918 0.0599783), wk = 0.0033223 k( 136) = ( 0.3409091 0.0928048 0.0562296), wk = 0.0033223 k( 137) = ( 0.3181818 0.0866178 0.0524810), wk = 0.0033223 k( 138) = ( 0.2954545 0.0804308 0.0487324), wk = 0.0033223 k( 139) = ( 0.2727273 0.0742439 0.0449837), wk = 0.0033223 k( 140) = ( 0.2500000 0.0680569 0.0412351), wk = 0.0033223 k( 141) = ( 0.2272727 0.0618699 0.0374864), wk = 0.0033223 k( 142) = ( 0.2045454 0.0556829 0.0337378), wk = 0.0033223 k( 143) = ( 0.1818182 0.0494959 0.0299891), wk = 0.0033223 k( 144) = ( 0.1590909 0.0433089 0.0262405), wk = 0.0033223 k( 145) = ( 0.1363636 0.0371219 0.0224919), wk = 0.0033223 k( 146) = ( 0.1136364 0.0309349 0.0187432), wk = 0.0033223 k( 147) = ( 0.0909091 0.0247480 0.0149946), wk = 0.0033223 k( 148) = ( 0.0681818 0.0185610 0.0112459), wk = 0.0033223 k( 149) = ( 0.0454546 0.0123740 0.0074973), wk = 0.0033223 k( 150) = ( 0.0227273 0.0061870 0.0037486), wk = 0.0033223 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 153) = ( 0.0063292 -0.0107633 -0.0206082), wk = 0.0033223 k( 154) = ( 0.0126584 -0.0215266 -0.0412163), wk = 0.0033223 k( 155) = ( 0.0189876 -0.0322900 -0.0618245), wk = 0.0033223 k( 156) = ( 0.0253167 -0.0430533 -0.0824326), wk = 0.0033223 k( 157) = ( 0.0316459 -0.0538166 -0.1030407), wk = 0.0033223 k( 158) = ( 0.0379751 -0.0645799 -0.1236489), wk = 0.0033223 k( 159) = ( 0.0443043 -0.0753433 -0.1442571), wk = 0.0033223 k( 160) = ( 0.0506335 -0.0861066 -0.1648652), wk = 0.0033223 k( 161) = ( 0.0569627 -0.0968699 -0.1854734), wk = 0.0033223 k( 162) = ( 0.0632919 -0.1076332 -0.2060815), wk = 0.0033223 k( 163) = ( 0.0696211 -0.1183966 -0.2266897), wk = 0.0033223 k( 164) = ( 0.0759502 -0.1291599 -0.2472978), wk = 0.0033223 k( 165) = ( 0.0822794 -0.1399232 -0.2679060), wk = 0.0033223 k( 166) = ( 0.0886086 -0.1506865 -0.2885141), wk = 0.0033223 k( 167) = ( 0.0949378 -0.1614498 -0.3091223), wk = 0.0033223 k( 168) = ( 0.1012670 -0.1722132 -0.3297304), wk = 0.0033223 k( 169) = ( 0.1075962 -0.1829765 -0.3503386), wk = 0.0033223 k( 170) = ( 0.1139254 -0.1937398 -0.3709467), wk = 0.0033223 k( 171) = ( 0.1202546 -0.2045031 -0.3915549), wk = 0.0033223 k( 172) = ( 0.1265837 -0.2152665 -0.4121631), wk = 0.0033223 k( 173) = ( 0.1329129 -0.2260298 -0.4327712), wk = 0.0033223 k( 174) = ( 0.1392421 -0.2367931 -0.4533794), wk = 0.0033223 k( 175) = ( 0.1455713 -0.2475564 -0.4739875), wk = 0.0033223 k( 176) = ( 0.1519005 -0.2583198 -0.4945957), wk = 0.0033223 k( 177) = ( 0.1582297 -0.2690831 -0.5152038), wk = 0.0033223 k( 178) = ( 0.1645589 -0.2798464 -0.5358120), wk = 0.0033223 k( 179) = ( 0.1708881 -0.2906097 -0.5564201), wk = 0.0033223 k( 180) = ( 0.1772172 -0.3013731 -0.5770283), wk = 0.0033223 k( 181) = ( 0.1835464 -0.3121364 -0.5976364), wk = 0.0033223 k( 182) = ( 0.1898756 -0.3228997 -0.6182446), wk = 0.0033223 k( 183) = ( 0.1962048 -0.3336630 -0.6388527), wk = 0.0033223 k( 184) = ( 0.2025340 -0.3444263 -0.6594609), wk = 0.0033223 k( 185) = ( 0.2088632 -0.3551897 -0.6800690), wk = 0.0033223 k( 186) = ( 0.2151924 -0.3659530 -0.7006772), wk = 0.0033223 k( 187) = ( 0.2215215 -0.3767163 -0.7212853), wk = 0.0033223 k( 188) = ( 0.2278507 -0.3874796 -0.7418935), wk = 0.0033223 k( 189) = ( 0.2341799 -0.3982430 -0.7625016), wk = 0.0033223 k( 190) = ( 0.2405091 -0.4090063 -0.7831098), wk = 0.0033223 k( 191) = ( 0.2468383 -0.4197696 -0.8037180), wk = 0.0033223 k( 192) = ( 0.2531675 -0.4305329 -0.8243261), wk = 0.0033223 k( 193) = ( 0.2594967 -0.4412963 -0.8449342), wk = 0.0033223 k( 194) = ( 0.2658258 -0.4520596 -0.8655424), wk = 0.0033223 k( 195) = ( 0.2721550 -0.4628229 -0.8861506), wk = 0.0033223 k( 196) = ( 0.2784842 -0.4735862 -0.9067587), wk = 0.0033223 k( 197) = ( 0.2848134 -0.4843496 -0.9273669), wk = 0.0033223 k( 198) = ( 0.2911426 -0.4951129 -0.9479750), wk = 0.0033223 k( 199) = ( 0.2974718 -0.5058762 -0.9685832), wk = 0.0033223 k( 200) = ( 0.3038010 -0.5166395 -0.9891913), wk = 0.0033223 k( 201) = ( 0.3101302 -0.5274029 -1.0097995), wk = 0.0033223 k( 202) = ( 0.3164593 -0.5381662 -1.0304076), wk = 0.0033223 k( 203) = ( 0.3227885 -0.5489295 -1.0510158), wk = 0.0033223 k( 204) = ( 0.3291177 -0.5596928 -1.0716239), wk = 0.0033223 k( 205) = ( 0.3354469 -0.5704561 -1.0922321), wk = 0.0033223 k( 206) = ( 0.3417761 -0.5812195 -1.1128402), wk = 0.0033223 k( 207) = ( 0.6582239 -0.4451057 -1.0303701), wk = 0.0033223 k( 208) = ( 0.6518949 -0.4218569 -1.0303701), wk = 0.0033223 k( 209) = ( 0.6455660 -0.3986082 -1.0303701), wk = 0.0033223 k( 210) = ( 0.6392370 -0.3753594 -1.0303701), wk = 0.0033223 k( 211) = ( 0.6329081 -0.3521106 -1.0303701), wk = 0.0033223 k( 212) = ( 0.6265791 -0.3288618 -1.0303701), wk = 0.0033223 k( 213) = ( 0.6202502 -0.3056131 -1.0303701), wk = 0.0033223 k( 214) = ( 0.6139212 -0.2823643 -1.0303701), wk = 0.0033223 k( 215) = ( 0.6075923 -0.2591155 -1.0303701), wk = 0.0033223 k( 216) = ( 0.6012633 -0.2358667 -1.0303701), wk = 0.0033223 k( 217) = ( 0.5949343 -0.2126180 -1.0303701), wk = 0.0033223 k( 218) = ( 0.5886054 -0.1893692 -1.0303701), wk = 0.0033223 k( 219) = ( 0.5822764 -0.1661204 -1.0303701), wk = 0.0033223 k( 220) = ( 0.5759475 -0.1428716 -1.0303701), wk = 0.0033223 k( 221) = ( 0.5696185 -0.1196228 -1.0303701), wk = 0.0033223 k( 222) = ( 0.5632896 -0.0963740 -1.0303701), wk = 0.0033223 k( 223) = ( 0.5569606 -0.0731253 -1.0303701), wk = 0.0033223 k( 224) = ( 0.5506317 -0.0498765 -1.0303701), wk = 0.0033223 k( 225) = ( 0.5443027 -0.0266277 -1.0303701), wk = 0.0033223 k( 226) = ( 0.5379737 -0.0033789 -1.0303701), wk = 0.0033223 k( 227) = ( 0.5316448 0.0198699 -1.0303701), wk = 0.0033223 k( 228) = ( 0.5253158 0.0431186 -1.0303701), wk = 0.0033223 k( 229) = ( 0.5189869 0.0663674 -1.0303701), wk = 0.0033223 k( 230) = ( 0.5126579 0.0896162 -1.0303701), wk = 0.0033223 k( 231) = ( 0.5063290 0.1128649 -1.0303701), wk = 0.0033223 k( 232) = ( 0.5000000 0.1361137 -1.0303701), wk = 0.0033223 k( 233) = ( 0.5000000 0.1361137 -1.0303701), wk = 0.0033223 k( 234) = ( 0.5197780 0.1414979 -1.0200613), wk = 0.0033223 k( 235) = ( 0.5395560 0.1468820 -1.0097526), wk = 0.0033223 k( 236) = ( 0.5593340 0.1522661 -0.9994438), wk = 0.0033223 k( 237) = ( 0.5791120 0.1576502 -0.9891350), wk = 0.0033223 k( 238) = ( 0.5988899 0.1630343 -0.9788263), wk = 0.0033223 k( 239) = ( 0.6186679 0.1684184 -0.9685175), wk = 0.0033223 k( 240) = ( 0.6384459 0.1738025 -0.9582087), wk = 0.0033223 k( 241) = ( 0.6582239 0.1791866 -0.9479000), wk = 0.0033223 k( 242) = ( 0.6582239 0.1791866 -0.9479000), wk = 0.0033223 k( 243) = ( 0.6545443 0.1781849 -0.9239379), wk = 0.0033223 k( 244) = ( 0.6508647 0.1771832 -0.8999758), wk = 0.0033223 k( 245) = ( 0.6471850 0.1761815 -0.8760137), wk = 0.0033223 k( 246) = ( 0.6435054 0.1751799 -0.8520516), wk = 0.0033223 k( 247) = ( 0.6398258 0.1741782 -0.8280895), wk = 0.0033223 k( 248) = ( 0.6361461 0.1731765 -0.8041274), wk = 0.0033223 k( 249) = ( 0.6324665 0.1721748 -0.7801653), wk = 0.0033223 k( 250) = ( 0.6287869 0.1711731 -0.7562032), wk = 0.0033223 k( 251) = ( 0.6251073 0.1701714 -0.7322411), wk = 0.0033223 k( 252) = ( 0.6214276 0.1691697 -0.7082790), wk = 0.0033223 k( 253) = ( 0.6177480 0.1681680 -0.6843169), wk = 0.0033223 k( 254) = ( 0.6140684 0.1671663 -0.6603548), wk = 0.0033223 k( 255) = ( 0.6103888 0.1661646 -0.6363927), wk = 0.0033223 k( 256) = ( 0.6067092 0.1651629 -0.6124306), wk = 0.0033223 k( 257) = ( 0.6030295 0.1641612 -0.5884685), wk = 0.0033223 k( 258) = ( 0.5993499 0.1631595 -0.5645064), wk = 0.0033223 k( 259) = ( 0.5956703 0.1621578 -0.5405443), wk = 0.0033223 k( 260) = ( 0.5919906 0.1611561 -0.5165822), wk = 0.0033223 k( 261) = ( 0.5883110 0.1601544 -0.4926202), wk = 0.0033223 k( 262) = ( 0.5846314 0.1591527 -0.4686581), wk = 0.0033223 k( 263) = ( 0.5809518 0.1581510 -0.4446960), wk = 0.0033223 k( 264) = ( 0.5772721 0.1571493 -0.4207339), wk = 0.0033223 k( 265) = ( 0.5735925 0.1561476 -0.3967718), wk = 0.0033223 k( 266) = ( 0.5699129 0.1551459 -0.3728097), wk = 0.0033223 k( 267) = ( 0.5662333 0.1541443 -0.3488476), wk = 0.0033223 k( 268) = ( 0.5625536 0.1531426 -0.3248855), wk = 0.0033223 k( 269) = ( 0.5588740 0.1521409 -0.3009234), wk = 0.0033223 k( 270) = ( 0.5551944 0.1511392 -0.2769613), wk = 0.0033223 k( 271) = ( 0.5515148 0.1501375 -0.2529992), wk = 0.0033223 k( 272) = ( 0.5478351 0.1491358 -0.2290371), wk = 0.0033223 k( 273) = ( 0.5441555 0.1481341 -0.2050750), wk = 0.0033223 k( 274) = ( 0.5404759 0.1471324 -0.1811129), wk = 0.0033223 k( 275) = ( 0.5367963 0.1461307 -0.1571508), wk = 0.0033223 k( 276) = ( 0.5331166 0.1451290 -0.1331887), wk = 0.0033223 k( 277) = ( 0.5294370 0.1441273 -0.1092266), wk = 0.0033223 k( 278) = ( 0.5257574 0.1431256 -0.0852645), wk = 0.0033223 k( 279) = ( 0.5220778 0.1421239 -0.0613024), wk = 0.0033223 k( 280) = ( 0.5183981 0.1411222 -0.0373403), wk = 0.0033223 k( 281) = ( 0.5147185 0.1401205 -0.0133782), wk = 0.0033223 k( 282) = ( 0.5110389 0.1391188 0.0105839), wk = 0.0033223 k( 283) = ( 0.5073593 0.1381171 0.0345460), wk = 0.0033223 k( 284) = ( 0.5036796 0.1371154 0.0585080), wk = 0.0033223 k( 285) = ( 0.5000000 0.1361137 0.0824701), wk = 0.0033223 k( 286) = ( 0.5000000 -0.8502927 -0.5151850), wk = 0.0033223 k( 287) = ( 0.5210965 -0.8412185 -0.5096870), wk = 0.0033223 k( 288) = ( 0.5421930 -0.8321442 -0.5041890), wk = 0.0033223 k( 289) = ( 0.5632896 -0.8230700 -0.4986910), wk = 0.0033223 k( 290) = ( 0.5843861 -0.8139957 -0.4931930), wk = 0.0033223 k( 291) = ( 0.6054826 -0.8049215 -0.4876950), wk = 0.0033223 k( 292) = ( 0.6265791 -0.7958473 -0.4821970), wk = 0.0033223 k( 293) = ( 0.6476757 -0.7867730 -0.4766990), wk = 0.0033223 k( 294) = ( 0.6687722 -0.7776988 -0.4712010), wk = 0.0033223 k( 295) = ( 0.6898687 -0.7686245 -0.4657030), wk = 0.0033223 k( 296) = ( 0.7109652 -0.7595502 -0.4602049), wk = 0.0033223 k( 297) = ( 0.7320617 -0.7504760 -0.4547069), wk = 0.0033223 k( 298) = ( 0.7531583 -0.7414018 -0.4492089), wk = 0.0033223 k( 299) = ( 0.7742548 -0.7323275 -0.4437109), wk = 0.0033223 k( 300) = ( 0.7953513 -0.7232533 -0.4382129), wk = 0.0033223 k( 301) = ( 0.8164478 -0.7141790 -0.4327149), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0033223 k( 3) = ( 0.0217391 0.0000000 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0434783 0.0000000 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0869565 0.0000000 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0978261 -0.0000000 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0033223 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1739130 0.0000000 -0.0000000), wk = 0.0033223 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2065217 0.0000000 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0033223 k( 24) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2608696 -0.0000000 -0.0000000), wk = 0.0033223 k( 26) = ( 0.2717391 0.0000000 -0.0000000), wk = 0.0033223 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0033223 k( 28) = ( 0.2934783 0.0000000 -0.0000000), wk = 0.0033223 k( 29) = ( 0.3043478 0.0000000 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3369565 -0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0033223 k( 34) = ( 0.3586956 0.0000000 -0.0000000), wk = 0.0033223 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.3804348 0.0000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4021739 0.0000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4130435 0.0000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4239130 0.0000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.4456522 0.0000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4782609 -0.0000000 0.0000000), wk = 0.0033223 k( 46) = ( 0.4891304 0.0000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.5000000 0.0063294 -0.0063294), wk = 0.0033223 k( 50) = ( 0.5000000 0.0126588 -0.0126588), wk = 0.0033223 k( 51) = ( 0.5000000 0.0189882 -0.0189882), wk = 0.0033223 k( 52) = ( 0.5000000 0.0253175 -0.0253175), wk = 0.0033223 k( 53) = ( 0.5000000 0.0316469 -0.0316469), wk = 0.0033223 k( 54) = ( 0.5000000 0.0379763 -0.0379763), wk = 0.0033223 k( 55) = ( 0.5000000 0.0443057 -0.0443057), wk = 0.0033223 k( 56) = ( 0.5000000 0.0506351 -0.0506351), wk = 0.0033223 k( 57) = ( 0.5000000 0.0569645 -0.0569645), wk = 0.0033223 k( 58) = ( 0.5000000 0.0632939 -0.0632939), wk = 0.0033223 k( 59) = ( 0.5000000 0.0696232 -0.0696232), wk = 0.0033223 k( 60) = ( 0.5000000 0.0759526 -0.0759526), wk = 0.0033223 k( 61) = ( 0.5000000 0.0822820 -0.0822820), wk = 0.0033223 k( 62) = ( 0.5000000 0.0886114 -0.0886114), wk = 0.0033223 k( 63) = ( 0.5000000 0.0949408 -0.0949408), wk = 0.0033223 k( 64) = ( 0.5000000 0.1012702 -0.1012702), wk = 0.0033223 k( 65) = ( 0.5000000 0.1075996 -0.1075996), wk = 0.0033223 k( 66) = ( 0.5000000 0.1139289 -0.1139289), wk = 0.0033223 k( 67) = ( 0.5000000 0.1202583 -0.1202583), wk = 0.0033223 k( 68) = ( 0.5000000 0.1265877 -0.1265877), wk = 0.0033223 k( 69) = ( 0.5000000 0.1329171 -0.1329171), wk = 0.0033223 k( 70) = ( 0.5000000 0.1392465 -0.1392465), wk = 0.0033223 k( 71) = ( 0.5000000 0.1455759 -0.1455759), wk = 0.0033223 k( 72) = ( 0.5000000 0.1519052 -0.1519053), wk = 0.0033223 k( 73) = ( 0.5000000 0.1582346 -0.1582346), wk = 0.0033223 k( 74) = ( 0.5000000 0.1645640 -0.1645640), wk = 0.0033223 k( 75) = ( 0.5000000 0.1708934 -0.1708934), wk = 0.0033223 k( 76) = ( 0.5000000 0.1772228 -0.1772228), wk = 0.0033223 k( 77) = ( 0.5000000 0.1835522 -0.1835522), wk = 0.0033223 k( 78) = ( 0.8164478 0.5000000 0.1835522), wk = 0.0033223 k( 79) = ( 0.8101189 0.5000000 0.1898811), wk = 0.0033223 k( 80) = ( 0.8037899 0.5000000 0.1962101), wk = 0.0033223 k( 81) = ( 0.7974609 0.5000000 0.2025390), wk = 0.0033223 k( 82) = ( 0.7911320 0.5000000 0.2088680), wk = 0.0033223 k( 83) = ( 0.7848030 0.5000000 0.2151970), wk = 0.0033223 k( 84) = ( 0.7784741 0.5000000 0.2215259), wk = 0.0033223 k( 85) = ( 0.7721451 0.5000000 0.2278549), wk = 0.0033223 k( 86) = ( 0.7658162 0.5000000 0.2341838), wk = 0.0033223 k( 87) = ( 0.7594872 0.5000000 0.2405128), wk = 0.0033223 k( 88) = ( 0.7531583 0.5000000 0.2468417), wk = 0.0033223 k( 89) = ( 0.7468293 0.5000000 0.2531707), wk = 0.0033223 k( 90) = ( 0.7405003 0.5000000 0.2594997), wk = 0.0033223 k( 91) = ( 0.7341714 0.5000000 0.2658286), wk = 0.0033223 k( 92) = ( 0.7278424 0.5000000 0.2721576), wk = 0.0033223 k( 93) = ( 0.7215135 0.5000000 0.2784865), wk = 0.0033223 k( 94) = ( 0.7151845 0.5000000 0.2848155), wk = 0.0033223 k( 95) = ( 0.7088556 0.5000000 0.2911444), wk = 0.0033223 k( 96) = ( 0.7025266 0.5000000 0.2974734), wk = 0.0033223 k( 97) = ( 0.6961977 0.5000000 0.3038023), wk = 0.0033223 k( 98) = ( 0.6898687 0.5000000 0.3101313), wk = 0.0033223 k( 99) = ( 0.6835397 0.5000000 0.3164603), wk = 0.0033223 k( 100) = ( 0.6772108 0.5000000 0.3227892), wk = 0.0033223 k( 101) = ( 0.6708818 0.5000000 0.3291182), wk = 0.0033223 k( 102) = ( 0.6645529 0.5000000 0.3354471), wk = 0.0033223 k( 103) = ( 0.6582239 0.5000000 0.3417761), wk = 0.0033223 k( 104) = ( 0.6518949 0.5000000 0.3481050), wk = 0.0033223 k( 105) = ( 0.6455660 0.5000000 0.3544340), wk = 0.0033223 k( 106) = ( 0.6392370 0.5000000 0.3607630), wk = 0.0033223 k( 107) = ( 0.6329081 0.5000000 0.3670919), wk = 0.0033223 k( 108) = ( 0.6265791 0.5000000 0.3734209), wk = 0.0033223 k( 109) = ( 0.6202502 0.5000000 0.3797498), wk = 0.0033223 k( 110) = ( 0.6139212 0.5000000 0.3860788), wk = 0.0033223 k( 111) = ( 0.6075923 0.5000000 0.3924077), wk = 0.0033223 k( 112) = ( 0.6012633 0.5000000 0.3987367), wk = 0.0033223 k( 113) = ( 0.5949343 0.5000000 0.4050656), wk = 0.0033223 k( 114) = ( 0.5886054 0.5000000 0.4113946), wk = 0.0033223 k( 115) = ( 0.5822764 0.5000000 0.4177236), wk = 0.0033223 k( 116) = ( 0.5759475 0.5000000 0.4240525), wk = 0.0033223 k( 117) = ( 0.5696185 0.5000000 0.4303815), wk = 0.0033223 k( 118) = ( 0.5632896 0.5000000 0.4367104), wk = 0.0033223 k( 119) = ( 0.5569606 0.5000000 0.4430394), wk = 0.0033223 k( 120) = ( 0.5506317 0.5000000 0.4493683), wk = 0.0033223 k( 121) = ( 0.5443027 0.5000000 0.4556973), wk = 0.0033223 k( 122) = ( 0.5379737 0.5000000 0.4620263), wk = 0.0033223 k( 123) = ( 0.5316448 0.5000000 0.4683552), wk = 0.0033223 k( 124) = ( 0.5253158 0.5000000 0.4746842), wk = 0.0033223 k( 125) = ( 0.5189869 0.5000000 0.4810131), wk = 0.0033223 k( 126) = ( 0.5126579 0.5000000 0.4873421), wk = 0.0033223 k( 127) = ( 0.5063290 0.5000000 0.4936710), wk = 0.0033223 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 130) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0033223 k( 131) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0033223 k( 132) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0033223 k( 133) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0033223 k( 134) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0033223 k( 135) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0033223 k( 136) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0033223 k( 137) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0033223 k( 138) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0033223 k( 139) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0033223 k( 140) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033223 k( 141) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0033223 k( 142) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0033223 k( 143) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0033223 k( 144) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0033223 k( 145) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0033223 k( 146) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0033223 k( 147) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0033223 k( 148) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0033223 k( 149) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0033223 k( 150) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0033223 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 153) = ( 0.0063292 0.0000000 -0.0063292), wk = 0.0033223 k( 154) = ( 0.0126584 0.0000000 -0.0126584), wk = 0.0033223 k( 155) = ( 0.0189876 -0.0000000 -0.0189876), wk = 0.0033223 k( 156) = ( 0.0253167 0.0000000 -0.0253168), wk = 0.0033223 k( 157) = ( 0.0316459 0.0000000 -0.0316459), wk = 0.0033223 k( 158) = ( 0.0379751 -0.0000000 -0.0379751), wk = 0.0033223 k( 159) = ( 0.0443043 -0.0000000 -0.0443043), wk = 0.0033223 k( 160) = ( 0.0506335 0.0000000 -0.0506335), wk = 0.0033223 k( 161) = ( 0.0569627 0.0000000 -0.0569627), wk = 0.0033223 k( 162) = ( 0.0632919 0.0000000 -0.0632919), wk = 0.0033223 k( 163) = ( 0.0696211 0.0000000 -0.0696211), wk = 0.0033223 k( 164) = ( 0.0759502 -0.0000000 -0.0759502), wk = 0.0033223 k( 165) = ( 0.0822794 0.0000000 -0.0822794), wk = 0.0033223 k( 166) = ( 0.0886086 -0.0000000 -0.0886086), wk = 0.0033223 k( 167) = ( 0.0949378 0.0000000 -0.0949378), wk = 0.0033223 k( 168) = ( 0.1012670 0.0000000 -0.1012670), wk = 0.0033223 k( 169) = ( 0.1075962 0.0000000 -0.1075962), wk = 0.0033223 k( 170) = ( 0.1139254 0.0000000 -0.1139254), wk = 0.0033223 k( 171) = ( 0.1202546 -0.0000000 -0.1202546), wk = 0.0033223 k( 172) = ( 0.1265837 0.0000000 -0.1265837), wk = 0.0033223 k( 173) = ( 0.1329129 0.0000000 -0.1329129), wk = 0.0033223 k( 174) = ( 0.1392421 0.0000000 -0.1392421), wk = 0.0033223 k( 175) = ( 0.1455713 0.0000000 -0.1455713), wk = 0.0033223 k( 176) = ( 0.1519005 0.0000000 -0.1519005), wk = 0.0033223 k( 177) = ( 0.1582297 0.0000000 -0.1582297), wk = 0.0033223 k( 178) = ( 0.1645589 0.0000000 -0.1645589), wk = 0.0033223 k( 179) = ( 0.1708881 0.0000000 -0.1708881), wk = 0.0033223 k( 180) = ( 0.1772172 -0.0000000 -0.1772172), wk = 0.0033223 k( 181) = ( 0.1835464 0.0000000 -0.1835464), wk = 0.0033223 k( 182) = ( 0.1898756 0.0000000 -0.1898756), wk = 0.0033223 k( 183) = ( 0.1962048 -0.0000000 -0.1962048), wk = 0.0033223 k( 184) = ( 0.2025340 0.0000000 -0.2025340), wk = 0.0033223 k( 185) = ( 0.2088632 0.0000000 -0.2088632), wk = 0.0033223 k( 186) = ( 0.2151924 -0.0000000 -0.2151924), wk = 0.0033223 k( 187) = ( 0.2215215 0.0000000 -0.2215215), wk = 0.0033223 k( 188) = ( 0.2278507 0.0000000 -0.2278507), wk = 0.0033223 k( 189) = ( 0.2341799 -0.0000000 -0.2341799), wk = 0.0033223 k( 190) = ( 0.2405091 -0.0000000 -0.2405091), wk = 0.0033223 k( 191) = ( 0.2468383 0.0000000 -0.2468383), wk = 0.0033223 k( 192) = ( 0.2531675 0.0000000 -0.2531675), wk = 0.0033223 k( 193) = ( 0.2594967 -0.0000000 -0.2594967), wk = 0.0033223 k( 194) = ( 0.2658258 0.0000000 -0.2658258), wk = 0.0033223 k( 195) = ( 0.2721550 0.0000000 -0.2721550), wk = 0.0033223 k( 196) = ( 0.2784842 0.0000000 -0.2784842), wk = 0.0033223 k( 197) = ( 0.2848134 0.0000000 -0.2848134), wk = 0.0033223 k( 198) = ( 0.2911426 0.0000000 -0.2911426), wk = 0.0033223 k( 199) = ( 0.2974718 0.0000000 -0.2974718), wk = 0.0033223 k( 200) = ( 0.3038010 0.0000000 -0.3038010), wk = 0.0033223 k( 201) = ( 0.3101302 0.0000000 -0.3101302), wk = 0.0033223 k( 202) = ( 0.3164593 0.0000000 -0.3164593), wk = 0.0033223 k( 203) = ( 0.3227885 0.0000000 -0.3227885), wk = 0.0033223 k( 204) = ( 0.3291177 0.0000000 -0.3291177), wk = 0.0033223 k( 205) = ( 0.3354469 0.0000000 -0.3354469), wk = 0.0033223 k( 206) = ( 0.3417761 0.0000000 -0.3417761), wk = 0.0033223 k( 207) = ( 0.6582239 0.3417761 -0.0000000), wk = 0.0033223 k( 208) = ( 0.6518949 0.3481051 -0.0000000), wk = 0.0033223 k( 209) = ( 0.6455660 0.3544340 -0.0000000), wk = 0.0033223 k( 210) = ( 0.6392370 0.3607630 -0.0000000), wk = 0.0033223 k( 211) = ( 0.6329081 0.3670919 -0.0000000), wk = 0.0033223 k( 212) = ( 0.6265791 0.3734209 -0.0000000), wk = 0.0033223 k( 213) = ( 0.6202502 0.3797498 -0.0000000), wk = 0.0033223 k( 214) = ( 0.6139212 0.3860788 -0.0000000), wk = 0.0033223 k( 215) = ( 0.6075923 0.3924077 -0.0000000), wk = 0.0033223 k( 216) = ( 0.6012633 0.3987367 -0.0000000), wk = 0.0033223 k( 217) = ( 0.5949343 0.4050656 -0.0000000), wk = 0.0033223 k( 218) = ( 0.5886054 0.4113946 -0.0000000), wk = 0.0033223 k( 219) = ( 0.5822764 0.4177236 -0.0000000), wk = 0.0033223 k( 220) = ( 0.5759475 0.4240525 -0.0000000), wk = 0.0033223 k( 221) = ( 0.5696185 0.4303815 -0.0000000), wk = 0.0033223 k( 222) = ( 0.5632896 0.4367104 -0.0000000), wk = 0.0033223 k( 223) = ( 0.5569606 0.4430394 -0.0000000), wk = 0.0033223 k( 224) = ( 0.5506317 0.4493684 -0.0000000), wk = 0.0033223 k( 225) = ( 0.5443027 0.4556973 -0.0000000), wk = 0.0033223 k( 226) = ( 0.5379737 0.4620263 -0.0000000), wk = 0.0033223 k( 227) = ( 0.5316448 0.4683552 -0.0000000), wk = 0.0033223 k( 228) = ( 0.5253158 0.4746842 0.0000000), wk = 0.0033223 k( 229) = ( 0.5189869 0.4810131 -0.0000000), wk = 0.0033223 k( 230) = ( 0.5126579 0.4873421 0.0000000), wk = 0.0033223 k( 231) = ( 0.5063290 0.4936710 0.0000000), wk = 0.0033223 k( 232) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 234) = ( 0.5197780 0.5197780 0.0229440), wk = 0.0033223 k( 235) = ( 0.5395560 0.5395560 0.0458880), wk = 0.0033223 k( 236) = ( 0.5593340 0.5593340 0.0688321), wk = 0.0033223 k( 237) = ( 0.5791120 0.5791120 0.0917761), wk = 0.0033223 k( 238) = ( 0.5988899 0.5988899 0.1147201), wk = 0.0033223 k( 239) = ( 0.6186679 0.6186679 0.1376641), wk = 0.0033223 k( 240) = ( 0.6384459 0.6384459 0.1606082), wk = 0.0033223 k( 241) = ( 0.6582239 0.6582239 0.1835522), wk = 0.0033223 k( 242) = ( 0.6582239 0.6582239 0.1835522), wk = 0.0033223 k( 243) = ( 0.6545443 0.6545443 0.1909114), wk = 0.0033223 k( 244) = ( 0.6508647 0.6508647 0.1982707), wk = 0.0033223 k( 245) = ( 0.6471850 0.6471850 0.2056299), wk = 0.0033223 k( 246) = ( 0.6435054 0.6435054 0.2129892), wk = 0.0033223 k( 247) = ( 0.6398258 0.6398258 0.2203484), wk = 0.0033223 k( 248) = ( 0.6361461 0.6361461 0.2277077), wk = 0.0033223 k( 249) = ( 0.6324665 0.6324665 0.2350669), wk = 0.0033223 k( 250) = ( 0.6287869 0.6287869 0.2424262), wk = 0.0033223 k( 251) = ( 0.6251073 0.6251073 0.2497854), wk = 0.0033223 k( 252) = ( 0.6214276 0.6214276 0.2571447), wk = 0.0033223 k( 253) = ( 0.6177480 0.6177480 0.2645039), wk = 0.0033223 k( 254) = ( 0.6140684 0.6140684 0.2718632), wk = 0.0033223 k( 255) = ( 0.6103888 0.6103888 0.2792225), wk = 0.0033223 k( 256) = ( 0.6067092 0.6067092 0.2865817), wk = 0.0033223 k( 257) = ( 0.6030295 0.6030295 0.2939410), wk = 0.0033223 k( 258) = ( 0.5993499 0.5993499 0.3013002), wk = 0.0033223 k( 259) = ( 0.5956703 0.5956703 0.3086595), wk = 0.0033223 k( 260) = ( 0.5919906 0.5919906 0.3160187), wk = 0.0033223 k( 261) = ( 0.5883110 0.5883110 0.3233780), wk = 0.0033223 k( 262) = ( 0.5846314 0.5846314 0.3307372), wk = 0.0033223 k( 263) = ( 0.5809518 0.5809518 0.3380965), wk = 0.0033223 k( 264) = ( 0.5772721 0.5772721 0.3454557), wk = 0.0033223 k( 265) = ( 0.5735925 0.5735925 0.3528150), wk = 0.0033223 k( 266) = ( 0.5699129 0.5699129 0.3601742), wk = 0.0033223 k( 267) = ( 0.5662333 0.5662333 0.3675335), wk = 0.0033223 k( 268) = ( 0.5625536 0.5625536 0.3748927), wk = 0.0033223 k( 269) = ( 0.5588740 0.5588740 0.3822520), wk = 0.0033223 k( 270) = ( 0.5551944 0.5551944 0.3896112), wk = 0.0033223 k( 271) = ( 0.5515148 0.5515148 0.3969705), wk = 0.0033223 k( 272) = ( 0.5478351 0.5478351 0.4043297), wk = 0.0033223 k( 273) = ( 0.5441555 0.5441555 0.4116890), wk = 0.0033223 k( 274) = ( 0.5404759 0.5404759 0.4190482), wk = 0.0033223 k( 275) = ( 0.5367963 0.5367963 0.4264075), wk = 0.0033223 k( 276) = ( 0.5331166 0.5331166 0.4337667), wk = 0.0033223 k( 277) = ( 0.5294370 0.5294370 0.4411260), wk = 0.0033223 k( 278) = ( 0.5257574 0.5257574 0.4484852), wk = 0.0033223 k( 279) = ( 0.5220778 0.5220778 0.4558445), wk = 0.0033223 k( 280) = ( 0.5183981 0.5183981 0.4632037), wk = 0.0033223 k( 281) = ( 0.5147185 0.5147185 0.4705630), wk = 0.0033223 k( 282) = ( 0.5110389 0.5110389 0.4779222), wk = 0.0033223 k( 283) = ( 0.5073593 0.5073593 0.4852815), wk = 0.0033223 k( 284) = ( 0.5036796 0.5036796 0.4926408), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 286) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 287) = ( 0.5210965 0.0227851 0.0227851), wk = 0.0033223 k( 288) = ( 0.5421930 0.0455702 0.0455701), wk = 0.0033223 k( 289) = ( 0.5632896 0.0683552 0.0683552), wk = 0.0033223 k( 290) = ( 0.5843861 0.0911403 0.0911403), wk = 0.0033223 k( 291) = ( 0.6054826 0.1139254 0.1139254), wk = 0.0033223 k( 292) = ( 0.6265791 0.1367104 0.1367104), wk = 0.0033223 k( 293) = ( 0.6476757 0.1594955 0.1594955), wk = 0.0033223 k( 294) = ( 0.6687722 0.1822806 0.1822806), wk = 0.0033223 k( 295) = ( 0.6898687 0.2050656 0.2050656), wk = 0.0033223 k( 296) = ( 0.7109652 0.2278507 0.2278507), wk = 0.0033223 k( 297) = ( 0.7320617 0.2506358 0.2506358), wk = 0.0033223 k( 298) = ( 0.7531583 0.2734209 0.2734209), wk = 0.0033223 k( 299) = ( 0.7742548 0.2962059 0.2962059), wk = 0.0033223 k( 300) = ( 0.7953513 0.3189910 0.3189910), wk = 0.0033223 k( 301) = ( 0.8164478 0.3417761 0.3417761), wk = 0.0033223 Dense grid: 53905 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 24489 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 182, 40) NL pseudopotentials 0.19 Mb ( 91, 136) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.01 Mb ( 1499) G-vector shells 0.01 Mb ( 1211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 182, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KYS2.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.8 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.8 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.7 secs Computing kpt #: 30 total cpu time spent up to now is 16.2 secs Computing kpt #: 31 total cpu time spent up to now is 16.7 secs Computing kpt #: 32 total cpu time spent up to now is 17.1 secs Computing kpt #: 33 total cpu time spent up to now is 17.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.5 secs Computing kpt #: 36 total cpu time spent up to now is 19.2 secs Computing kpt #: 37 total cpu time spent up to now is 19.6 secs Computing kpt #: 38 total cpu time spent up to now is 20.1 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.1 secs Computing kpt #: 41 total cpu time spent up to now is 21.6 secs Computing kpt #: 42 total cpu time spent up to now is 22.1 secs Computing kpt #: 43 total cpu time spent up to now is 22.6 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.5 secs Computing kpt #: 46 total cpu time spent up to now is 24.1 secs Computing kpt #: 47 total cpu time spent up to now is 24.6 secs Computing kpt #: 48 total cpu time spent up to now is 25.1 secs Computing kpt #: 49 total cpu time spent up to now is 25.6 secs Computing kpt #: 50 total cpu time spent up to now is 26.1 secs Computing kpt #: 51 total cpu time spent up to now is 26.6 secs Computing kpt #: 52 total cpu time spent up to now is 27.0 secs Computing kpt #: 53 total cpu time spent up to now is 27.5 secs Computing kpt #: 54 total cpu time spent up to now is 28.0 secs Computing kpt #: 55 total cpu time spent up to now is 28.5 secs Computing kpt #: 56 total cpu time spent up to now is 29.0 secs Computing kpt #: 57 total cpu time spent up to now is 29.5 secs Computing kpt #: 58 total cpu time spent up to now is 29.9 secs Computing kpt #: 59 total cpu time spent up to now is 30.5 secs Computing kpt #: 60 total cpu time spent up to now is 31.0 secs Computing kpt #: 61 total cpu time spent up to now is 31.4 secs Computing kpt #: 62 total cpu time spent up to now is 31.9 secs Computing kpt #: 63 total cpu time spent up to now is 32.4 secs Computing kpt #: 64 total cpu time spent up to now is 32.8 secs Computing kpt #: 65 total cpu time spent up to now is 33.3 secs Computing kpt #: 66 total cpu time spent up to now is 33.7 secs Computing kpt #: 67 total cpu time spent up to now is 34.2 secs Computing kpt #: 68 total cpu time spent up to now is 34.6 secs Computing kpt #: 69 total cpu time spent up to now is 35.1 secs Computing kpt #: 70 total cpu time spent up to now is 35.5 secs Computing kpt #: 71 total cpu time spent up to now is 36.0 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.9 secs Computing kpt #: 74 total cpu time spent up to now is 37.3 secs Computing kpt #: 75 total cpu time spent up to now is 37.8 secs Computing kpt #: 76 total cpu time spent up to now is 38.3 secs Computing kpt #: 77 total cpu time spent up to now is 38.9 secs Computing kpt #: 78 total cpu time spent up to now is 39.4 secs Computing kpt #: 79 total cpu time spent up to now is 40.0 secs Computing kpt #: 80 total cpu time spent up to now is 40.5 secs Computing kpt #: 81 total cpu time spent up to now is 41.1 secs Computing kpt #: 82 total cpu time spent up to now is 41.7 secs Computing kpt #: 83 total cpu time spent up to now is 42.2 secs Computing kpt #: 84 total cpu time spent up to now is 42.8 secs Computing kpt #: 85 total cpu time spent up to now is 43.3 secs Computing kpt #: 86 total cpu time spent up to now is 43.9 secs Computing kpt #: 87 total cpu time spent up to now is 44.4 secs Computing kpt #: 88 total cpu time spent up to now is 45.0 secs Computing kpt #: 89 total cpu time spent up to now is 45.6 secs Computing kpt #: 90 total cpu time spent up to now is 46.1 secs Computing kpt #: 91 total cpu time spent up to now is 46.7 secs Computing kpt #: 92 total cpu time spent up to now is 47.2 secs Computing kpt #: 93 total cpu time spent up to now is 47.7 secs Computing kpt #: 94 total cpu time spent up to now is 48.1 secs Computing kpt #: 95 total cpu time spent up to now is 48.6 secs Computing kpt #: 96 total cpu time spent up to now is 49.0 secs Computing kpt #: 97 total cpu time spent up to now is 49.5 secs Computing kpt #: 98 total cpu time spent up to now is 50.0 secs Computing kpt #: 99 total cpu time spent up to now is 50.4 secs Computing kpt #: 100 total cpu time spent up to now is 50.9 secs Computing kpt #: 101 total cpu time spent up to now is 51.3 secs Computing kpt #: 102 total cpu time spent up to now is 51.8 secs Computing kpt #: 103 total cpu time spent up to now is 52.3 secs Computing kpt #: 104 total cpu time spent up to now is 52.7 secs Computing kpt #: 105 total cpu time spent up to now is 53.1 secs Computing kpt #: 106 total cpu time spent up to now is 53.6 secs Computing kpt #: 107 total cpu time spent up to now is 54.0 secs Computing kpt #: 108 total cpu time spent up to now is 54.5 secs Computing kpt #: 109 total cpu time spent up to now is 54.9 secs Computing kpt #: 110 total cpu time spent up to now is 55.3 secs Computing kpt #: 111 total cpu time spent up to now is 55.8 secs Computing kpt #: 112 total cpu time spent up to now is 56.2 secs Computing kpt #: 113 total cpu time spent up to now is 56.6 secs Computing kpt #: 114 total cpu time spent up to now is 57.0 secs Computing kpt #: 115 total cpu time spent up to now is 57.5 secs Computing kpt #: 116 total cpu time spent up to now is 57.9 secs Computing kpt #: 117 total cpu time spent up to now is 58.3 secs Computing kpt #: 118 total cpu time spent up to now is 58.7 secs Computing kpt #: 119 total cpu time spent up to now is 59.2 secs Computing kpt #: 120 total cpu time spent up to now is 59.6 secs Computing kpt #: 121 total cpu time spent up to now is 60.2 secs Computing kpt #: 122 total cpu time spent up to now is 60.7 secs Computing kpt #: 123 total cpu time spent up to now is 61.3 secs Computing kpt #: 124 total cpu time spent up to now is 61.8 secs Computing kpt #: 125 total cpu time spent up to now is 62.3 secs Computing kpt #: 126 total cpu time spent up to now is 62.9 secs Computing kpt #: 127 total cpu time spent up to now is 63.4 secs Computing kpt #: 128 total cpu time spent up to now is 63.9 secs Computing kpt #: 129 total cpu time spent up to now is 64.4 secs Computing kpt #: 130 total cpu time spent up to now is 65.0 secs Computing kpt #: 131 total cpu time spent up to now is 65.5 secs Computing kpt #: 132 total cpu time spent up to now is 66.0 secs Computing kpt #: 133 total cpu time spent up to now is 66.6 secs Computing kpt #: 134 total cpu time spent up to now is 67.1 secs Computing kpt #: 135 total cpu time spent up to now is 67.6 secs Computing kpt #: 136 total cpu time spent up to now is 68.1 secs Computing kpt #: 137 total cpu time spent up to now is 68.5 secs Computing kpt #: 138 total cpu time spent up to now is 69.0 secs Computing kpt #: 139 total cpu time spent up to now is 69.4 secs Computing kpt #: 140 total cpu time spent up to now is 69.8 secs Computing kpt #: 141 total cpu time spent up to now is 70.3 secs Computing kpt #: 142 total cpu time spent up to now is 70.7 secs Computing kpt #: 143 total cpu time spent up to now is 71.1 secs Computing kpt #: 144 total cpu time spent up to now is 71.5 secs Computing kpt #: 145 total cpu time spent up to now is 71.9 secs Computing kpt #: 146 total cpu time spent up to now is 72.3 secs Computing kpt #: 147 total cpu time spent up to now is 72.7 secs Computing kpt #: 148 total cpu time spent up to now is 73.1 secs Computing kpt #: 149 total cpu time spent up to now is 73.5 secs Computing kpt #: 150 total cpu time spent up to now is 73.9 secs Computing kpt #: 151 total cpu time spent up to now is 74.3 secs Computing kpt #: 152 total cpu time spent up to now is 74.7 secs Computing kpt #: 153 total cpu time spent up to now is 75.0 secs Computing kpt #: 154 total cpu time spent up to now is 75.4 secs Computing kpt #: 155 total cpu time spent up to now is 75.8 secs Computing kpt #: 156 total cpu time spent up to now is 76.2 secs Computing kpt #: 157 total cpu time spent up to now is 76.6 secs Computing kpt #: 158 total cpu time spent up to now is 77.0 secs Computing kpt #: 159 total cpu time spent up to now is 77.4 secs Computing kpt #: 160 total cpu time spent up to now is 77.8 secs Computing kpt #: 161 total cpu time spent up to now is 78.2 secs Computing kpt #: 162 total cpu time spent up to now is 78.6 secs Computing kpt #: 163 total cpu time spent up to now is 79.1 secs Computing kpt #: 164 total cpu time spent up to now is 79.5 secs Computing kpt #: 165 total cpu time spent up to now is 79.9 secs Computing kpt #: 166 total cpu time spent up to now is 80.4 secs Computing kpt #: 167 total cpu time spent up to now is 80.8 secs Computing kpt #: 168 total cpu time spent up to now is 81.3 secs Computing kpt #: 169 total cpu time spent up to now is 81.8 secs Computing kpt #: 170 total cpu time spent up to now is 82.2 secs Computing kpt #: 171 total cpu time spent up to now is 82.7 secs Computing kpt #: 172 total cpu time spent up to now is 83.1 secs Computing kpt #: 173 total cpu time spent up to now is 83.6 secs Computing kpt #: 174 total cpu time spent up to now is 84.0 secs Computing kpt #: 175 total cpu time spent up to now is 84.5 secs Computing kpt #: 176 total cpu time spent up to now is 84.9 secs Computing kpt #: 177 total cpu time spent up to now is 85.4 secs Computing kpt #: 178 total cpu time spent up to now is 85.8 secs Computing kpt #: 179 total cpu time spent up to now is 86.3 secs Computing kpt #: 180 total cpu time spent up to now is 86.7 secs Computing kpt #: 181 total cpu time spent up to now is 87.2 secs Computing kpt #: 182 total cpu time spent up to now is 87.6 secs Computing kpt #: 183 total cpu time spent up to now is 88.0 secs Computing kpt #: 184 total cpu time spent up to now is 88.5 secs Computing kpt #: 185 total cpu time spent up to now is 88.9 secs Computing kpt #: 186 total cpu time spent up to now is 89.3 secs Computing kpt #: 187 total cpu time spent up to now is 89.8 secs Computing kpt #: 188 total cpu time spent up to now is 90.2 secs Computing kpt #: 189 total cpu time spent up to now is 90.6 secs Computing kpt #: 190 total cpu time spent up to now is 91.1 secs Computing kpt #: 191 total cpu time spent up to now is 91.5 secs Computing kpt #: 192 total cpu time spent up to now is 92.0 secs Computing kpt #: 193 total cpu time spent up to now is 92.4 secs Computing kpt #: 194 total cpu time spent up to now is 92.9 secs Computing kpt #: 195 total cpu time spent up to now is 93.3 secs Computing kpt #: 196 total cpu time spent up to now is 93.7 secs Computing kpt #: 197 total cpu time spent up to now is 94.2 secs Computing kpt #: 198 total cpu time spent up to now is 94.6 secs Computing kpt #: 199 total cpu time spent up to now is 95.1 secs Computing kpt #: 200 total cpu time spent up to now is 95.6 secs Computing kpt #: 201 total cpu time spent up to now is 96.0 secs Computing kpt #: 202 total cpu time spent up to now is 96.4 secs Computing kpt #: 203 total cpu time spent up to now is 96.9 secs Computing kpt #: 204 total cpu time spent up to now is 97.4 secs Computing kpt #: 205 total cpu time spent up to now is 97.9 secs Computing kpt #: 206 total cpu time spent up to now is 98.4 secs Computing kpt #: 207 total cpu time spent up to now is 98.9 secs Computing kpt #: 208 total cpu time spent up to now is 99.5 secs Computing kpt #: 209 total cpu time spent up to now is 100.1 secs Computing kpt #: 210 total cpu time spent up to now is 100.6 secs Computing kpt #: 211 total cpu time spent up to now is 101.1 secs Computing kpt #: 212 total cpu time spent up to now is 101.7 secs Computing kpt #: 213 total cpu time spent up to now is 102.1 secs Computing kpt #: 214 total cpu time spent up to now is 102.6 secs Computing kpt #: 215 total cpu time spent up to now is 103.0 secs Computing kpt #: 216 total cpu time spent up to now is 103.5 secs Computing kpt #: 217 total cpu time spent up to now is 104.0 secs Computing kpt #: 218 total cpu time spent up to now is 104.4 secs Computing kpt #: 219 total cpu time spent up to now is 104.9 secs Computing kpt #: 220 total cpu time spent up to now is 105.3 secs Computing kpt #: 221 total cpu time spent up to now is 105.9 secs Computing kpt #: 222 total cpu time spent up to now is 106.4 secs Computing kpt #: 223 total cpu time spent up to now is 106.9 secs Computing kpt #: 224 total cpu time spent up to now is 107.5 secs Computing kpt #: 225 total cpu time spent up to now is 108.0 secs Computing kpt #: 226 total cpu time spent up to now is 108.6 secs Computing kpt #: 227 total cpu time spent up to now is 109.1 secs Computing kpt #: 228 total cpu time spent up to now is 109.6 secs Computing kpt #: 229 total cpu time spent up to now is 110.2 secs Computing kpt #: 230 total cpu time spent up to now is 110.7 secs Computing kpt #: 231 total cpu time spent up to now is 111.3 secs Computing kpt #: 232 total cpu time spent up to now is 111.8 secs Computing kpt #: 233 total cpu time spent up to now is 112.3 secs Computing kpt #: 234 total cpu time spent up to now is 112.8 secs Computing kpt #: 235 total cpu time spent up to now is 113.4 secs Computing kpt #: 236 total cpu time spent up to now is 113.9 secs Computing kpt #: 237 total cpu time spent up to now is 114.4 secs Computing kpt #: 238 total cpu time spent up to now is 115.0 secs Computing kpt #: 239 total cpu time spent up to now is 115.5 secs Computing kpt #: 240 total cpu time spent up to now is 116.0 secs Computing kpt #: 241 total cpu time spent up to now is 116.6 secs Computing kpt #: 242 total cpu time spent up to now is 117.1 secs Computing kpt #: 243 total cpu time spent up to now is 117.7 secs Computing kpt #: 244 total cpu time spent up to now is 118.2 secs Computing kpt #: 245 total cpu time spent up to now is 118.7 secs Computing kpt #: 246 total cpu time spent up to now is 119.1 secs Computing kpt #: 247 total cpu time spent up to now is 119.6 secs Computing kpt #: 248 total cpu time spent up to now is 120.1 secs Computing kpt #: 249 total cpu time spent up to now is 120.5 secs Computing kpt #: 250 total cpu time spent up to now is 121.0 secs Computing kpt #: 251 total cpu time spent up to now is 121.4 secs Computing kpt #: 252 total cpu time spent up to now is 121.8 secs Computing kpt #: 253 total cpu time spent up to now is 122.3 secs Computing kpt #: 254 total cpu time spent up to now is 122.7 secs Computing kpt #: 255 total cpu time spent up to now is 123.1 secs Computing kpt #: 256 total cpu time spent up to now is 123.6 secs Computing kpt #: 257 total cpu time spent up to now is 124.0 secs Computing kpt #: 258 total cpu time spent up to now is 124.4 secs Computing kpt #: 259 total cpu time spent up to now is 124.9 secs Computing kpt #: 260 total cpu time spent up to now is 125.7 secs Computing kpt #: 261 total cpu time spent up to now is 126.2 secs Computing kpt #: 262 total cpu time spent up to now is 126.6 secs Computing kpt #: 263 total cpu time spent up to now is 127.0 secs Computing kpt #: 264 total cpu time spent up to now is 127.4 secs Computing kpt #: 265 total cpu time spent up to now is 127.9 secs Computing kpt #: 266 total cpu time spent up to now is 128.3 secs Computing kpt #: 267 total cpu time spent up to now is 128.7 secs Computing kpt #: 268 total cpu time spent up to now is 129.1 secs Computing kpt #: 269 total cpu time spent up to now is 129.6 secs Computing kpt #: 270 total cpu time spent up to now is 130.0 secs Computing kpt #: 271 total cpu time spent up to now is 130.4 secs Computing kpt #: 272 total cpu time spent up to now is 130.9 secs Computing kpt #: 273 total cpu time spent up to now is 131.3 secs Computing kpt #: 274 total cpu time spent up to now is 131.7 secs Computing kpt #: 275 total cpu time spent up to now is 132.1 secs Computing kpt #: 276 total cpu time spent up to now is 132.6 secs Computing kpt #: 277 total cpu time spent up to now is 133.1 secs Computing kpt #: 278 total cpu time spent up to now is 133.6 secs Computing kpt #: 279 total cpu time spent up to now is 134.1 secs Computing kpt #: 280 total cpu time spent up to now is 134.7 secs Computing kpt #: 281 total cpu time spent up to now is 135.2 secs Computing kpt #: 282 total cpu time spent up to now is 135.7 secs Computing kpt #: 283 total cpu time spent up to now is 136.3 secs Computing kpt #: 284 total cpu time spent up to now is 136.8 secs Computing kpt #: 285 total cpu time spent up to now is 137.3 secs Computing kpt #: 286 total cpu time spent up to now is 137.9 secs Computing kpt #: 287 total cpu time spent up to now is 138.4 secs Computing kpt #: 288 total cpu time spent up to now is 138.9 secs Computing kpt #: 289 total cpu time spent up to now is 139.5 secs Computing kpt #: 290 total cpu time spent up to now is 139.9 secs Computing kpt #: 291 total cpu time spent up to now is 140.4 secs Computing kpt #: 292 total cpu time spent up to now is 141.0 secs Computing kpt #: 293 total cpu time spent up to now is 141.4 secs Computing kpt #: 294 total cpu time spent up to now is 142.0 secs Computing kpt #: 295 total cpu time spent up to now is 142.5 secs Computing kpt #: 296 total cpu time spent up to now is 143.1 secs Computing kpt #: 297 total cpu time spent up to now is 143.6 secs Computing kpt #: 298 total cpu time spent up to now is 144.2 secs Computing kpt #: 299 total cpu time spent up to now is 144.7 secs Computing kpt #: 300 total cpu time spent up to now is 145.2 secs Computing kpt #: 301 total cpu time spent up to now is 145.8 secs ethr = 3.13E-08, avg # of iterations = 18.9 total cpu time spent up to now is 145.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8727 -6.8727 -6.5938 -6.5938 -6.4777 -6.4777 -5.5968 -5.5968 -4.5442 -4.5442 2.8290 2.8290 4.1379 4.1379 4.1705 4.1705 5.4540 5.4540 5.7200 5.7200 5.7869 5.7869 9.2491 9.2491 9.2494 9.2494 9.4554 9.4554 9.7533 9.7533 k = 0.0109-0.0185-0.0112 ( 3103 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1862 -15.1862 -15.0790 -15.0790 -6.8726 -6.8726 -6.5939 -6.5939 -6.4780 -6.4780 -5.5957 -5.5957 -4.5446 -4.5446 2.8304 2.8304 4.1373 4.1373 4.1700 4.1700 5.4545 5.4545 5.7164 5.7164 5.7832 5.7832 9.2490 9.2490 9.2519 9.2519 9.4567 9.4567 9.7581 9.7581 k = 0.0217-0.0370-0.0224 ( 3100 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5759 -16.5759 -15.1862 -15.1862 -15.0794 -15.0794 -6.8723 -6.8723 -6.5945 -6.5945 -6.4789 -6.4789 -5.5924 -5.5924 -4.5460 -4.5460 2.8344 2.8344 4.1353 4.1353 4.1687 4.1687 5.4561 5.4561 5.7052 5.7052 5.7732 5.7732 9.2479 9.2479 9.2596 9.2596 9.4607 9.4607 9.7725 9.7725 k = 0.0326-0.0555-0.0336 ( 3093 PWs) bands (ev): -35.6112 -35.6112 -23.1246 -23.1246 -16.5762 -16.5762 -15.1863 -15.1863 -15.0803 -15.0803 -6.8719 -6.8719 -6.5954 -6.5954 -6.4804 -6.4804 -5.5869 -5.5869 -4.5482 -4.5482 2.8412 2.8412 4.1310 4.1310 4.1676 4.1676 5.4583 5.4583 5.6847 5.6847 5.7589 5.7589 9.2455 9.2455 9.2724 9.2724 9.4675 9.4675 9.7963 9.7963 k = 0.0435-0.0739-0.0448 ( 3089 PWs) bands (ev): -35.6111 -35.6111 -23.1244 -23.1244 -16.5766 -16.5766 -15.1864 -15.1864 -15.0814 -15.0814 -6.8714 -6.8714 -6.5967 -6.5967 -6.4825 -6.4825 -5.5793 -5.5793 -4.5513 -4.5513 2.8507 2.8507 4.1235 4.1235 4.1677 4.1677 5.4609 5.4609 5.6535 5.6535 5.7426 5.7426 9.2412 9.2412 9.2900 9.2900 9.4774 9.4774 9.8292 9.8292 k = 0.0543-0.0924-0.0560 ( 3091 PWs) bands (ev): -35.6110 -35.6110 -23.1242 -23.1242 -16.5771 -16.5771 -15.1866 -15.1866 -15.0828 -15.0828 -6.8708 -6.8708 -6.5984 -6.5984 -6.4852 -6.4852 -5.5696 -5.5696 -4.5553 -4.5553 2.8628 2.8628 4.1126 4.1126 4.1693 4.1693 5.4629 5.4629 5.6125 5.6125 5.7253 5.7253 9.2345 9.2345 9.3124 9.3124 9.4907 9.4907 9.8707 9.8707 k = 0.0652-0.1109-0.0672 ( 3088 PWs) bands (ev): -35.6108 -35.6108 -23.1239 -23.1239 -16.5778 -16.5778 -15.1869 -15.1869 -15.0845 -15.0845 -6.8700 -6.8700 -6.6004 -6.6004 -6.4882 -6.4882 -5.5580 -5.5580 -4.5601 -4.5601 2.8773 2.8773 4.0987 4.0987 4.1725 4.1725 5.4617 5.4617 5.5653 5.5653 5.7070 5.7070 9.2250 9.2250 9.3393 9.3393 9.5075 9.5075 9.9197 9.9197 k = 0.0761-0.1294-0.0784 ( 3081 PWs) bands (ev): -35.6106 -35.6106 -23.1236 -23.1236 -16.5785 -16.5785 -15.1871 -15.1871 -15.0866 -15.0866 -6.8691 -6.8691 -6.6028 -6.6028 -6.4916 -6.4916 -5.5445 -5.5445 -4.5656 -4.5656 2.8944 2.8944 4.0822 4.0822 4.1768 4.1768 5.4468 5.4468 5.5233 5.5233 5.6874 5.6874 9.2126 9.2126 9.3704 9.3704 9.5277 9.5277 9.9752 9.9752 k = 0.0870-0.1479-0.0896 ( 3079 PWs) bands (ev): -35.6104 -35.6104 -23.1232 -23.1232 -16.5793 -16.5793 -15.1875 -15.1875 -15.0888 -15.0888 -6.8681 -6.8681 -6.6056 -6.6056 -6.4952 -6.4952 -5.5292 -5.5292 -4.5719 -4.5719 2.9138 2.9138 4.0637 4.0637 4.1821 4.1821 5.4007 5.4007 5.5052 5.5052 5.6663 5.6663 9.1975 9.1975 9.4053 9.4053 9.5512 9.5512 10.0358 10.0358 k = 0.0978-0.1664-0.1008 ( 3079 PWs) bands (ev): -35.6102 -35.6102 -23.1228 -23.1228 -16.5803 -16.5803 -15.1878 -15.1878 -15.0913 -15.0913 -6.8671 -6.8671 -6.6087 -6.6087 -6.4991 -6.4991 -5.5123 -5.5123 -4.5788 -4.5788 2.9353 2.9353 4.0434 4.0434 4.1883 4.1883 5.3333 5.3333 5.5019 5.5019 5.6441 5.6441 9.1800 9.1800 9.4439 9.4439 9.5778 9.5778 10.1000 10.1000 k = 0.1087-0.1848-0.1120 ( 3077 PWs) bands (ev): -35.6100 -35.6100 -23.1223 -23.1223 -16.5814 -16.5814 -15.1883 -15.1883 -15.0940 -15.0940 -6.8661 -6.8661 -6.6121 -6.6121 -6.5031 -6.5031 -5.4939 -5.4939 -4.5864 -4.5864 2.9590 2.9590 4.0219 4.0219 4.1952 4.1952 5.2567 5.2567 5.5018 5.5018 5.6208 5.6208 9.1603 9.1603 9.4857 9.4857 9.6074 9.6074 10.1661 10.1661 k = 0.1196-0.2033-0.1232 ( 3070 PWs) bands (ev): -35.6097 -35.6097 -23.1218 -23.1218 -16.5825 -16.5825 -15.1888 -15.1888 -15.0969 -15.0969 -6.8652 -6.8652 -6.6157 -6.6157 -6.5072 -6.5072 -5.4740 -5.4740 -4.5945 -4.5945 2.9846 2.9846 3.9994 3.9994 4.2027 4.2027 5.1750 5.1750 5.5012 5.5012 5.5972 5.5972 9.1388 9.1388 9.5302 9.5302 9.6396 9.6396 10.2323 10.2323 k = 0.1304-0.2218-0.1344 ( 3062 PWs) bands (ev): -35.6094 -35.6094 -23.1212 -23.1212 -16.5838 -16.5838 -15.1895 -15.1895 -15.1000 -15.1000 -6.8642 -6.8642 -6.6196 -6.6196 -6.5112 -6.5112 -5.4530 -5.4530 -4.6031 -4.6031 3.0118 3.0118 3.9762 3.9762 4.2107 4.2107 5.0900 5.0900 5.4981 5.4981 5.5743 5.5743 9.1157 9.1157 9.5773 9.5773 9.6742 9.6742 10.2968 10.2968 k = 0.1413-0.2403-0.1456 ( 3059 PWs) bands (ev): -35.6091 -35.6091 -23.1206 -23.1206 -16.5851 -16.5851 -15.1902 -15.1902 -15.1032 -15.1032 -6.8635 -6.8635 -6.6237 -6.6237 -6.5151 -6.5151 -5.4308 -5.4308 -4.6121 -4.6121 3.0406 3.0406 3.9527 3.9527 4.2193 4.2193 5.0028 5.0028 5.4904 5.4904 5.5539 5.5539 9.0913 9.0913 9.6263 9.6263 9.7113 9.7113 10.3578 10.3578 k = 0.1522-0.2588-0.1568 ( 3055 PWs) bands (ev): -35.6088 -35.6088 -23.1200 -23.1200 -16.5865 -16.5865 -15.1910 -15.1910 -15.1065 -15.1065 -6.8629 -6.8629 -6.6279 -6.6279 -6.5190 -6.5190 -5.4076 -5.4076 -4.6215 -4.6215 3.0706 3.0706 3.9291 3.9291 4.2282 4.2282 4.9144 4.9144 5.4760 5.4760 5.5378 5.5378 9.0659 9.0659 9.6770 9.6770 9.7505 9.7505 10.4138 10.4138 k = 0.1630-0.2773-0.1680 ( 3051 PWs) bands (ev): -35.6085 -35.6085 -23.1194 -23.1194 -16.5880 -16.5880 -15.1919 -15.1919 -15.1098 -15.1098 -6.8625 -6.8625 -6.6321 -6.6321 -6.5226 -6.5226 -5.3836 -5.3836 -4.6312 -4.6312 3.1016 3.1016 3.9058 3.9058 4.2374 4.2374 4.8255 4.8255 5.4552 5.4552 5.5257 5.5257 9.0396 9.0396 9.7288 9.7288 9.7921 9.7921 10.4638 10.4638 k = 0.1739-0.2958-0.1792 ( 3048 PWs) bands (ev): -35.6081 -35.6081 -23.1187 -23.1187 -16.5896 -16.5896 -15.1930 -15.1930 -15.1132 -15.1132 -6.8625 -6.8625 -6.6362 -6.6362 -6.5261 -6.5261 -5.3588 -5.3588 -4.6410 -4.6410 3.1332 3.1332 3.8828 3.8828 4.2468 4.2468 4.7370 4.7370 5.4302 5.4302 5.5152 5.5152 9.0127 9.0127 9.7813 9.7813 9.8358 9.8358 10.5076 10.5076 k = 0.1848-0.3142-0.1904 ( 3048 PWs) bands (ev): -35.6078 -35.6078 -23.1180 -23.1180 -16.5912 -16.5912 -15.1943 -15.1943 -15.1165 -15.1165 -6.8629 -6.8629 -6.6402 -6.6402 -6.5294 -6.5294 -5.3335 -5.3335 -4.6511 -4.6511 3.1650 3.1650 3.8606 3.8606 4.2564 4.2564 4.6496 4.6496 5.4032 5.4032 5.5044 5.5044 8.9854 8.9854 9.8342 9.8342 9.8819 9.8819 10.5457 10.5457 k = 0.1957-0.3327-0.2016 ( 3048 PWs) bands (ev): -35.6074 -35.6074 -23.1173 -23.1173 -16.5929 -16.5929 -15.1957 -15.1957 -15.1198 -15.1198 -6.8637 -6.8637 -6.6439 -6.6439 -6.5324 -6.5324 -5.3078 -5.3078 -4.6611 -4.6611 3.1966 3.1966 3.8393 3.8393 4.2661 4.2661 4.5640 4.5640 5.3753 5.3753 5.4921 5.4921 8.9577 8.9577 9.8871 9.8871 9.9303 9.9303 10.5789 10.5789 k = 0.2065-0.3512-0.2128 ( 3051 PWs) bands (ev): -35.6071 -35.6071 -23.1166 -23.1166 -16.5947 -16.5947 -15.1973 -15.1973 -15.1230 -15.1230 -6.8650 -6.8650 -6.6473 -6.6473 -6.5352 -6.5352 -5.2817 -5.2817 -4.6712 -4.6712 3.2274 3.2274 3.8191 3.8191 4.2757 4.2757 4.4809 4.4809 5.3471 5.3471 5.4777 5.4777 8.9298 8.9298 9.9400 9.9400 9.9807 9.9807 10.6080 10.6080 k = 0.2174-0.3697-0.2240 ( 3050 PWs) bands (ev): -35.6067 -35.6067 -23.1158 -23.1158 -16.5965 -16.5965 -15.1990 -15.1990 -15.1260 -15.1260 -6.8668 -6.8668 -6.6504 -6.6504 -6.5377 -6.5377 -5.2555 -5.2555 -4.6811 -4.6811 3.2566 3.2566 3.8003 3.8003 4.2851 4.2851 4.4014 4.4014 5.3189 5.3189 5.4611 5.4611 8.9020 8.9020 9.9931 9.9931 10.0327 10.0327 10.6341 10.6341 k = 0.2283-0.3882-0.2352 ( 3054 PWs) bands (ev): -35.6063 -35.6063 -23.1151 -23.1151 -16.5983 -16.5983 -15.2010 -15.2010 -15.1289 -15.1289 -6.8693 -6.8693 -6.6530 -6.6530 -6.5400 -6.5400 -5.2293 -5.2293 -4.6910 -4.6910 3.2837 3.2837 3.7829 3.7829 4.2937 4.2937 4.3270 4.3270 5.2911 5.2911 5.4421 5.4421 8.8743 8.8743 10.0466 10.0466 10.0859 10.0859 10.6575 10.6575 k = 0.2391-0.4067-0.2464 ( 3048 PWs) bands (ev): -35.6059 -35.6059 -23.1143 -23.1143 -16.6002 -16.6002 -15.2032 -15.2032 -15.1316 -15.1316 -6.8723 -6.8723 -6.6551 -6.6551 -6.5420 -6.5420 -5.2032 -5.2032 -4.7005 -4.7005 3.3074 3.3074 3.7669 3.7669 4.2555 4.2555 4.3047 4.3047 5.2639 5.2639 5.4205 5.4205 8.8469 8.8469 10.1005 10.1005 10.1398 10.1398 10.6790 10.6790 k = 0.2500-0.4251-0.2576 ( 3045 PWs) bands (ev): -35.6055 -35.6055 -23.1135 -23.1135 -16.6021 -16.6021 -15.2055 -15.2055 -15.1341 -15.1341 -6.8758 -6.8758 -6.6568 -6.6568 -6.5437 -6.5437 -5.1774 -5.1774 -4.7098 -4.7098 3.3269 3.3269 3.7522 3.7522 4.1934 4.1934 4.3130 4.3130 5.2375 5.2375 5.3965 5.3965 8.8199 8.8199 10.1550 10.1550 10.1941 10.1941 10.6987 10.6987 k = 0.2609-0.4436-0.2688 ( 3046 PWs) bands (ev): -35.6051 -35.6051 -23.1128 -23.1128 -16.6040 -16.6040 -15.2081 -15.2081 -15.1364 -15.1364 -6.8800 -6.8800 -6.6580 -6.6580 -6.5451 -6.5451 -5.1519 -5.1519 -4.7188 -4.7188 3.3408 3.3408 3.7383 3.7383 4.1397 4.1397 4.3213 4.3213 5.2119 5.2119 5.3701 5.3701 8.7934 8.7934 10.2095 10.2095 10.2486 10.2486 10.7172 10.7172 k = 0.2717-0.4621-0.2800 ( 3042 PWs) bands (ev): -35.6047 -35.6047 -23.1120 -23.1120 -16.6059 -16.6059 -15.2108 -15.2108 -15.1385 -15.1385 -6.8846 -6.8846 -6.6588 -6.6588 -6.5462 -6.5462 -5.1270 -5.1270 -4.7272 -4.7272 3.3482 3.3482 3.7248 3.7248 4.0965 4.0965 4.3291 4.3291 5.1873 5.1873 5.3414 5.3414 8.7677 8.7677 10.2637 10.2637 10.3031 10.3031 10.7351 10.7351 k = 0.2826-0.4806-0.2912 ( 3043 PWs) bands (ev): -35.6043 -35.6043 -23.1112 -23.1112 -16.6078 -16.6078 -15.2137 -15.2137 -15.1403 -15.1403 -6.8897 -6.8897 -6.6592 -6.6592 -6.5470 -6.5470 -5.1027 -5.1027 -4.7352 -4.7352 3.3480 3.3480 3.7110 3.7110 4.0653 4.0653 4.3364 4.3364 5.1637 5.1637 5.3106 5.3106 8.7428 8.7428 10.3170 10.3170 10.3572 10.3572 10.7531 10.7531 k = 0.2935-0.4991-0.3024 ( 3038 PWs) bands (ev): -35.6040 -35.6040 -23.1105 -23.1105 -16.6097 -16.6097 -15.2167 -15.2167 -15.1419 -15.1419 -6.8951 -6.8951 -6.6594 -6.6594 -6.5475 -6.5475 -5.0792 -5.0792 -4.7426 -4.7426 3.3399 3.3399 3.6970 3.6970 4.0467 4.0467 4.3432 4.3432 5.1412 5.1412 5.2780 5.2780 8.7187 8.7187 10.3688 10.3688 10.4101 10.4101 10.7723 10.7723 k = 0.3043-0.5176-0.3136 ( 3040 PWs) bands (ev): -35.6036 -35.6036 -23.1097 -23.1097 -16.6116 -16.6116 -15.2198 -15.2198 -15.1433 -15.1433 -6.9008 -6.9008 -6.6593 -6.6593 -6.5477 -6.5477 -5.0566 -5.0566 -4.7494 -4.7494 3.3240 3.3240 3.6832 3.6832 4.0400 4.0400 4.3493 4.3493 5.1197 5.1197 5.2438 5.2438 8.6957 8.6957 10.4187 10.4187 10.4606 10.4606 10.7938 10.7938 k = 0.3152-0.5361-0.3248 ( 3032 PWs) bands (ev): -35.6032 -35.6032 -23.1090 -23.1090 -16.6134 -16.6134 -15.2229 -15.2229 -15.1446 -15.1446 -6.9067 -6.9067 -6.6590 -6.6590 -6.5476 -6.5476 -5.0351 -5.0351 -4.7555 -4.7555 3.3010 3.3010 3.6706 3.6706 4.0434 4.0434 4.3547 4.3547 5.0991 5.0991 5.2085 5.2085 8.6737 8.6737 10.4661 10.4661 10.5073 10.5073 10.8188 10.8188 k = 0.3261-0.5545-0.3360 ( 3037 PWs) bands (ev): -35.6029 -35.6029 -23.1083 -23.1083 -16.6152 -16.6152 -15.2260 -15.2260 -15.1456 -15.1456 -6.9127 -6.9127 -6.6586 -6.6586 -6.5473 -6.5473 -5.0149 -5.0149 -4.7608 -4.7608 3.2723 3.2723 3.6602 3.6602 4.0547 4.0547 4.3595 4.3595 5.0790 5.0790 5.1727 5.1727 8.6529 8.6529 10.5101 10.5101 10.5495 10.5495 10.8476 10.8476 k = 0.3370-0.5730-0.3472 ( 3040 PWs) bands (ev): -35.6025 -35.6025 -23.1077 -23.1077 -16.6170 -16.6170 -15.2291 -15.2291 -15.1466 -15.1466 -6.9187 -6.9187 -6.6582 -6.6582 -6.5466 -6.5466 -4.9960 -4.9960 -4.7653 -4.7653 3.2395 3.2395 3.6522 3.6522 4.0717 4.0717 4.3636 4.3636 5.0587 5.0587 5.1374 5.1374 8.6332 8.6332 10.5485 10.5485 10.5888 10.5888 10.8791 10.8791 k = 0.3478-0.5915-0.3584 ( 3046 PWs) bands (ev): -35.6022 -35.6022 -23.1070 -23.1070 -16.6187 -16.6187 -15.2322 -15.2322 -15.1473 -15.1473 -6.9248 -6.9248 -6.6578 -6.6578 -6.5457 -6.5457 -4.9785 -4.9785 -4.7688 -4.7688 3.2042 3.2042 3.6468 3.6468 4.0926 4.0926 4.3670 4.3670 5.0368 5.0368 5.1044 5.1044 8.6147 8.6147 10.5790 10.5790 10.6278 10.6278 10.9103 10.9103 k = 0.3587-0.6100-0.3696 ( 3052 PWs) bands (ev): -35.6019 -35.6019 -23.1064 -23.1064 -16.6203 -16.6203 -15.2352 -15.2352 -15.1480 -15.1480 -6.9307 -6.9307 -6.6574 -6.6574 -6.5447 -6.5447 -4.9628 -4.9628 -4.7714 -4.7714 3.1678 3.1678 3.6438 3.6438 4.1160 4.1160 4.3698 4.3698 5.0110 5.0110 5.0762 5.0762 8.5975 8.5975 10.6018 10.6018 10.6676 10.6676 10.9372 10.9372 k = 0.3696-0.6285-0.3808 ( 3054 PWs) bands (ev): -35.6016 -35.6016 -23.1059 -23.1059 -16.6218 -16.6218 -15.2380 -15.2380 -15.1486 -15.1486 -6.9364 -6.9364 -6.6570 -6.6570 -6.5434 -6.5434 -4.9487 -4.9487 -4.7729 -4.7729 3.1316 3.1316 3.6430 3.6430 4.1408 4.1408 4.3720 4.3720 4.9800 4.9800 5.0544 5.0544 8.5815 8.5815 10.6191 10.6191 10.7073 10.7073 10.9560 10.9560 k = 0.3804-0.6470-0.3920 ( 3057 PWs) bands (ev): -35.6014 -35.6014 -23.1053 -23.1053 -16.6232 -16.6232 -15.2408 -15.2408 -15.1490 -15.1490 -6.9419 -6.9419 -6.6566 -6.6566 -6.5420 -6.5420 -4.9364 -4.9364 -4.7734 -4.7734 3.0963 3.0963 3.6441 3.6441 4.1662 4.1662 4.3737 4.3737 4.9453 4.9453 5.0380 5.0380 8.5668 8.5668 10.6331 10.6331 10.7460 10.7460 10.9651 10.9651 k = 0.3913-0.6654-0.4032 ( 3058 PWs) bands (ev): -35.6011 -35.6011 -23.1048 -23.1048 -16.6246 -16.6246 -15.2433 -15.2433 -15.1494 -15.1494 -6.9471 -6.9471 -6.6564 -6.6564 -6.5406 -6.5406 -4.9260 -4.9260 -4.7728 -4.7728 3.0627 3.0627 3.6467 3.6467 4.1916 4.1916 4.3749 4.3749 4.9087 4.9087 5.0253 5.0253 8.5534 8.5534 10.6453 10.6453 10.7830 10.7830 10.9652 10.9652 k = 0.4022-0.6839-0.4144 ( 3058 PWs) bands (ev): -35.6009 -35.6009 -23.1044 -23.1044 -16.6258 -16.6258 -15.2457 -15.2457 -15.1498 -15.1498 -6.9519 -6.9519 -6.6562 -6.6562 -6.5391 -6.5391 -4.9174 -4.9174 -4.7714 -4.7714 3.0313 3.0313 3.6506 3.6506 4.2163 4.2163 4.3758 4.3758 4.8719 4.8719 5.0151 5.0151 8.5412 8.5412 10.6565 10.6565 10.8178 10.8178 10.9584 10.9584 k = 0.4130-0.7024-0.4256 ( 3057 PWs) bands (ev): -35.6007 -35.6007 -23.1039 -23.1039 -16.6270 -16.6270 -15.2479 -15.2479 -15.1500 -15.1500 -6.9564 -6.9564 -6.6560 -6.6560 -6.5377 -6.5377 -4.9104 -4.9104 -4.7692 -4.7692 3.0024 3.0024 3.6555 3.6555 4.2401 4.2401 4.3764 4.3764 4.8358 4.8358 5.0067 5.0067 8.5303 8.5303 10.6675 10.6675 10.8498 10.8498 10.9472 10.9472 k = 0.4239-0.7209-0.4368 ( 3055 PWs) bands (ev): -35.6005 -35.6005 -23.1036 -23.1036 -16.6280 -16.6280 -15.2498 -15.2498 -15.1502 -15.1502 -6.9604 -6.9604 -6.6559 -6.6559 -6.5363 -6.5363 -4.9050 -4.9050 -4.7664 -4.7664 2.9765 2.9765 3.6610 3.6610 4.2624 4.2624 4.3768 4.3768 4.8013 4.8013 4.9998 4.9998 8.5206 8.5206 10.6785 10.6785 10.8777 10.8777 10.9345 10.9345 k = 0.4348-0.7394-0.4480 ( 3060 PWs) bands (ev): -35.6003 -35.6003 -23.1032 -23.1032 -16.6289 -16.6289 -15.2516 -15.2516 -15.1504 -15.1504 -6.9639 -6.9639 -6.6558 -6.6558 -6.5350 -6.5350 -4.9008 -4.9008 -4.7635 -4.7635 2.9536 2.9536 3.6667 3.6667 4.2830 4.2830 4.3773 4.3773 4.7689 4.7689 4.9941 4.9941 8.5123 8.5123 10.6897 10.6897 10.8950 10.8950 10.9277 10.9277 k = 0.4457-0.7579-0.4592 ( 3065 PWs) bands (ev): -35.6002 -35.6002 -23.1030 -23.1030 -16.6296 -16.6296 -15.2530 -15.2530 -15.1506 -15.1506 -6.9670 -6.9670 -6.6558 -6.6558 -6.5338 -6.5338 -4.8976 -4.8976 -4.7605 -4.7605 2.9340 2.9340 3.6724 3.6724 4.3014 4.3014 4.3778 4.3778 4.7394 4.7394 4.9895 4.9895 8.5052 8.5052 10.7011 10.7011 10.8898 10.8898 10.9395 10.9395 k = 0.4565-0.7764-0.4704 ( 3050 PWs) bands (ev): -35.6000 -35.6000 -23.1027 -23.1027 -16.6303 -16.6303 -15.2543 -15.2543 -15.1507 -15.1507 -6.9695 -6.9695 -6.6558 -6.6558 -6.5328 -6.5328 -4.8953 -4.8953 -4.7577 -4.7577 2.9179 2.9179 3.6777 3.6777 4.3172 4.3172 4.3787 4.3787 4.7134 4.7134 4.9859 4.9859 8.4994 8.4994 10.7126 10.7126 10.8759 10.8759 10.9567 10.9567 k = 0.4674-0.7948-0.4816 ( 3050 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6308 -16.6308 -15.2552 -15.2552 -15.1508 -15.1508 -6.9715 -6.9715 -6.6558 -6.6558 -6.5320 -6.5320 -4.8937 -4.8937 -4.7553 -4.7553 2.9052 2.9052 3.6821 3.6821 4.3298 4.3298 4.3800 4.3800 4.6918 4.6918 4.9832 4.9832 8.4949 8.4949 10.7237 10.7237 10.8616 10.8616 10.9716 10.9716 k = 0.4783-0.8133-0.4928 ( 3048 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6311 -16.6311 -15.2559 -15.2559 -15.1508 -15.1508 -6.9729 -6.9729 -6.6558 -6.6558 -6.5314 -6.5314 -4.8927 -4.8927 -4.7535 -4.7535 2.8961 2.8961 3.6856 3.6856 4.3387 4.3387 4.3817 4.3817 4.6755 4.6755 4.9813 4.9813 8.4917 8.4917 10.7335 10.7335 10.8490 10.8490 10.9826 10.9826 k = 0.4891-0.8318-0.5040 ( 3048 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6313 -16.6313 -15.2563 -15.2563 -15.1508 -15.1508 -6.9738 -6.9738 -6.6558 -6.6558 -6.5311 -6.5311 -4.8921 -4.8921 -4.7524 -4.7524 2.8907 2.8907 3.6877 3.6877 4.3439 4.3439 4.3833 4.3833 4.6652 4.6652 4.9802 4.9802 8.4897 8.4897 10.7408 10.7408 10.8401 10.8401 10.9894 10.9894 k = 0.5000-0.8503-0.5152 ( 3050 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9740 -6.9740 -6.6558 -6.6558 -6.5309 -6.5309 -4.8919 -4.8919 -4.7520 -4.7520 2.8888 2.8888 3.6885 3.6885 4.3455 4.3455 4.3840 4.3840 4.6617 4.6617 4.9798 4.9798 8.4891 8.4891 10.7435 10.7435 10.8368 10.8368 10.9916 10.9916 k = 0.5000-0.8503-0.5152 ( 3050 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9740 -6.9740 -6.6558 -6.6558 -6.5309 -6.5309 -4.8919 -4.8919 -4.7520 -4.7520 2.8888 2.8888 3.6885 3.6885 4.3455 4.3455 4.3840 4.3840 4.6617 4.6617 4.9798 4.9798 8.4891 8.4891 10.7435 10.7435 10.8368 10.8368 10.9916 10.9916 k = 0.5000-0.8378-0.5358 ( 3050 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1510 -15.1510 -6.9739 -6.9739 -6.6559 -6.6559 -6.5311 -6.5311 -4.8916 -4.8916 -4.7521 -4.7521 2.8900 2.8900 3.6879 3.6879 4.3454 4.3454 4.3832 4.3832 4.6630 4.6630 4.9761 4.9761 8.4933 8.4933 10.7437 10.7437 10.8343 10.8343 10.9916 10.9916 k = 0.5000-0.8253-0.5564 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6315 -16.6315 -15.2562 -15.2562 -15.1514 -15.1514 -6.9734 -6.9734 -6.6562 -6.6562 -6.5315 -6.5315 -4.8908 -4.8908 -4.7522 -4.7522 2.8936 2.8936 3.6864 3.6864 4.3450 4.3450 4.3810 4.3810 4.6668 4.6668 4.9651 4.9651 8.5057 8.5057 10.7442 10.7442 10.8270 10.8270 10.9918 10.9918 k = 0.5000-0.8128-0.5770 ( 3048 PWs) bands (ev): -35.5998 -35.5998 -23.1022 -23.1022 -16.6315 -16.6315 -15.2559 -15.2559 -15.1521 -15.1521 -6.9726 -6.9726 -6.6568 -6.6568 -6.5321 -6.5321 -4.8895 -4.8895 -4.7525 -4.7525 2.8995 2.8995 3.6837 3.6837 4.3442 4.3442 4.3780 4.3780 4.6727 4.6727 4.9471 4.9471 8.5263 8.5263 10.7441 10.7441 10.8151 10.8151 10.9931 10.9931 k = 0.5000-0.8003-0.5976 ( 3048 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6316 -16.6316 -15.2555 -15.2555 -15.1530 -15.1530 -6.9715 -6.9715 -6.6576 -6.6576 -6.5330 -6.5330 -4.8876 -4.8876 -4.7529 -4.7529 2.9077 2.9077 3.6801 3.6801 4.3426 4.3426 4.3749 4.3749 4.6799 4.6799 4.9227 4.9227 8.5544 8.5544 10.7423 10.7423 10.7988 10.7988 10.9969 10.9969 k = 0.5000-0.7879-0.6182 ( 3046 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6317 -16.6317 -15.2549 -15.2549 -15.1542 -15.1542 -6.9701 -6.9701 -6.6586 -6.6586 -6.5341 -6.5341 -4.8853 -4.8853 -4.7534 -4.7534 2.9183 2.9183 3.6755 3.6755 4.3400 4.3400 4.3722 4.3722 4.6878 4.6878 4.8926 4.8926 8.5896 8.5896 10.7371 10.7371 10.7791 10.7791 11.0046 11.0046 k = 0.5000-0.7754-0.6388 ( 3046 PWs) bands (ev): -35.5996 -35.5996 -23.1020 -23.1020 -16.6319 -16.6319 -15.2543 -15.2543 -15.1556 -15.1556 -6.9684 -6.9684 -6.6600 -6.6600 -6.5354 -6.5354 -4.8824 -4.8824 -4.7540 -4.7540 2.9311 2.9311 3.6699 3.6699 4.3366 4.3366 4.3703 4.3703 4.6952 4.6952 4.8581 4.8581 8.6313 8.6313 10.7254 10.7254 10.7585 10.7585 11.0175 11.0175 k = 0.5000-0.7629-0.6594 ( 3054 PWs) bands (ev): -35.5996 -35.5996 -23.1019 -23.1019 -16.6320 -16.6320 -15.2535 -15.2535 -15.1572 -15.1572 -6.9664 -6.9664 -6.6616 -6.6616 -6.5367 -6.5367 -4.8791 -4.8791 -4.7547 -4.7547 2.9461 2.9461 3.6634 3.6634 4.3327 4.3327 4.3689 4.3689 4.7007 4.7007 4.8211 4.8211 8.6787 8.6787 10.7037 10.7037 10.7404 10.7404 11.0364 11.0364 k = 0.5000-0.7504-0.6801 ( 3048 PWs) bands (ev): -35.5995 -35.5995 -23.1017 -23.1017 -16.6322 -16.6322 -15.2526 -15.2526 -15.1591 -15.1591 -6.9642 -6.9642 -6.6635 -6.6635 -6.5381 -6.5381 -4.8754 -4.8754 -4.7555 -4.7555 2.9633 2.9633 3.6561 3.6561 4.3290 4.3290 4.3674 4.3674 4.7006 4.7006 4.7858 4.7858 8.7311 8.7311 10.6730 10.6730 10.7246 10.7246 11.0613 11.0613 k = 0.5000-0.7379-0.7007 ( 3048 PWs) bands (ev): -35.5995 -35.5995 -23.1016 -23.1016 -16.6324 -16.6324 -15.2516 -15.2516 -15.1611 -15.1611 -6.9618 -6.9618 -6.6658 -6.6658 -6.5395 -6.5395 -4.8714 -4.8714 -4.7564 -4.7564 2.9826 2.9826 3.6481 3.6481 4.3260 4.3260 4.3648 4.3648 4.6864 4.6864 4.7617 4.7617 8.7878 8.7878 10.6365 10.6365 10.7086 10.7086 11.0918 11.0918 k = 0.5000-0.7254-0.7213 ( 3050 PWs) bands (ev): -35.5994 -35.5994 -23.1015 -23.1015 -16.6326 -16.6326 -15.2505 -15.2505 -15.1633 -15.1633 -6.9592 -6.9592 -6.6683 -6.6683 -6.5409 -6.5409 -4.8669 -4.8669 -4.7575 -4.7575 3.0040 3.0040 3.6396 3.6396 4.3237 4.3237 4.3601 4.3601 4.6549 4.6549 4.7533 4.7533 8.8479 8.8479 10.5962 10.5962 10.6917 10.6917 11.1272 11.1272 k = 0.5000-0.7129-0.7419 ( 3054 PWs) bands (ev): -35.5993 -35.5993 -23.1013 -23.1013 -16.6329 -16.6329 -15.2494 -15.2494 -15.1657 -15.1657 -6.9564 -6.9564 -6.6712 -6.6712 -6.5422 -6.5422 -4.8622 -4.8622 -4.7587 -4.7587 3.0273 3.0273 3.6305 3.6305 4.3220 4.3220 4.3520 4.3520 4.6169 4.6169 4.7522 4.7522 8.9107 8.9107 10.5529 10.5529 10.6739 10.6739 11.1668 11.1668 k = 0.5000-0.7005-0.7625 ( 3052 PWs) bands (ev): -35.5992 -35.5992 -23.1012 -23.1012 -16.6331 -16.6331 -15.2481 -15.2481 -15.1682 -15.1682 -6.9535 -6.9535 -6.6743 -6.6743 -6.5433 -6.5433 -4.8572 -4.8572 -4.7600 -4.7600 3.0524 3.0524 3.6212 3.6212 4.3177 4.3177 4.3413 4.3413 4.5809 4.5809 4.7523 4.7523 8.9755 8.9755 10.5075 10.5075 10.6553 10.6553 11.2096 11.2096 k = 0.5000-0.6880-0.7831 ( 3052 PWs) bands (ev): -35.5992 -35.5992 -23.1010 -23.1010 -16.6334 -16.6334 -15.2468 -15.2468 -15.1708 -15.1708 -6.9505 -6.9505 -6.6777 -6.6777 -6.5444 -6.5444 -4.8520 -4.8520 -4.7614 -4.7614 3.0794 3.0794 3.6118 3.6118 4.3002 4.3002 4.3363 4.3363 4.5518 4.5518 4.7516 4.7516 9.0416 9.0416 10.4606 10.4606 10.6359 10.6359 11.2544 11.2544 k = 0.5000-0.6755-0.8037 ( 3052 PWs) bands (ev): -35.5991 -35.5991 -23.1008 -23.1008 -16.6336 -16.6336 -15.2454 -15.2454 -15.1734 -15.1734 -6.9475 -6.9475 -6.6813 -6.6813 -6.5452 -6.5452 -4.8467 -4.8467 -4.7629 -4.7629 3.1080 3.1080 3.6023 3.6023 4.2671 4.2671 4.3387 4.3387 4.5314 4.5314 4.7495 4.7495 9.1082 9.1082 10.4129 10.4129 10.6157 10.6157 11.3001 11.3001 k = 0.5000-0.6630-0.8243 ( 3052 PWs) bands (ev): -35.5990 -35.5990 -23.1007 -23.1007 -16.6339 -16.6339 -15.2440 -15.2440 -15.1761 -15.1761 -6.9445 -6.9445 -6.6851 -6.6851 -6.5459 -6.5459 -4.8412 -4.8412 -4.7645 -4.7645 3.1381 3.1381 3.5931 3.5931 4.2239 4.2239 4.3443 4.3443 4.5190 4.5190 4.7455 4.7455 9.1745 9.1745 10.3652 10.3652 10.5943 10.5943 11.3449 11.3449 k = 0.5000-0.6505-0.8449 ( 3054 PWs) bands (ev): -35.5989 -35.5989 -23.1005 -23.1005 -16.6342 -16.6342 -15.2426 -15.2426 -15.1788 -15.1788 -6.9415 -6.9415 -6.6889 -6.6889 -6.5464 -6.5464 -4.8358 -4.8358 -4.7663 -4.7663 3.1697 3.1697 3.5841 3.5841 4.1743 4.1743 4.3522 4.3522 4.5125 4.5125 4.7396 4.7396 9.2398 9.2398 10.3183 10.3183 10.5716 10.5716 11.3870 11.3870 k = 0.5000-0.6380-0.8655 ( 3064 PWs) bands (ev): -35.5989 -35.5989 -23.1004 -23.1004 -16.6345 -16.6345 -15.2411 -15.2411 -15.1815 -15.1815 -6.9386 -6.9386 -6.6928 -6.6928 -6.5468 -6.5468 -4.8304 -4.8304 -4.7681 -4.7681 3.2024 3.2024 3.5757 3.5757 4.1209 4.1209 4.3619 4.3619 4.5100 4.5100 4.7318 4.7318 9.3030 9.3030 10.2733 10.2733 10.5470 10.5470 11.4249 11.4249 k = 0.5000-0.6255-0.8861 ( 3062 PWs) bands (ev): -35.5988 -35.5988 -23.1002 -23.1002 -16.6347 -16.6347 -15.2397 -15.2397 -15.1840 -15.1840 -6.9358 -6.9358 -6.6965 -6.6965 -6.5469 -6.5469 -4.8251 -4.8251 -4.7700 -4.7700 3.2362 3.2362 3.5677 3.5677 4.0658 4.0658 4.3733 4.3733 4.5099 4.5099 4.7221 4.7221 9.3629 9.3629 10.2315 10.2315 10.5202 10.5202 11.4580 11.4580 k = 0.5000-0.6130-0.9068 ( 3064 PWs) bands (ev): -35.5987 -35.5987 -23.1001 -23.1001 -16.6350 -16.6350 -15.2383 -15.2383 -15.1865 -15.1865 -6.9333 -6.9333 -6.7002 -6.7002 -6.5470 -6.5470 -4.8199 -4.8199 -4.7719 -4.7719 3.2708 3.2708 3.5605 3.5605 4.0105 4.0105 4.3862 4.3862 4.5113 4.5113 4.7106 4.7106 9.4180 9.4180 10.1946 10.1946 10.4911 10.4911 11.4876 11.4876 k = 0.5000-0.6006-0.9274 ( 3064 PWs) bands (ev): -35.5986 -35.5986 -23.1000 -23.1000 -16.6352 -16.6352 -15.2370 -15.2370 -15.1888 -15.1888 -6.9310 -6.9310 -6.7035 -6.7035 -6.5470 -6.5470 -4.8150 -4.8150 -4.7739 -4.7739 3.3058 3.3058 3.5540 3.5540 3.9560 3.9560 4.4006 4.4006 4.5134 4.5134 4.6977 4.6977 9.4663 9.4663 10.1646 10.1646 10.4593 10.4593 11.5161 11.5161 k = 0.5000-0.5881-0.9480 ( 3066 PWs) bands (ev): -35.5986 -35.5986 -23.0998 -23.0998 -16.6354 -16.6354 -15.2357 -15.2357 -15.1910 -15.1910 -6.9289 -6.9289 -6.7065 -6.7065 -6.5468 -6.5468 -4.8105 -4.8105 -4.7759 -4.7759 3.3409 3.3409 3.5483 3.5483 3.9034 3.9034 4.4162 4.4162 4.5158 4.5158 4.6836 4.6836 9.5055 9.5055 10.1441 10.1441 10.4248 10.4248 11.5456 11.5456 k = 0.5000-0.5756-0.9686 ( 3064 PWs) bands (ev): -35.5985 -35.5985 -23.0997 -23.0997 -16.6356 -16.6356 -15.2347 -15.2347 -15.1928 -15.1928 -6.9272 -6.9272 -6.7091 -6.7091 -6.5467 -6.5467 -4.8063 -4.8063 -4.7778 -4.7778 3.3754 3.3754 3.5434 3.5434 3.8536 3.8536 4.4328 4.4328 4.5181 4.5181 4.6686 4.6686 9.5330 9.5330 10.1356 10.1356 10.3878 10.3878 11.5777 11.5777 k = 0.5000-0.5631-0.9892 ( 3068 PWs) bands (ev): -35.5985 -35.5985 -23.0997 -23.0997 -16.6358 -16.6358 -15.2338 -15.2338 -15.1943 -15.1943 -6.9258 -6.9258 -6.7112 -6.7112 -6.5465 -6.5465 -4.8028 -4.8028 -4.7797 -4.7797 3.4082 3.4082 3.5393 3.5393 3.8079 3.8079 4.4500 4.4500 4.5202 4.5202 4.6535 4.6535 9.5473 9.5473 10.1407 10.1407 10.3485 10.3485 11.6133 11.6133 k = 0.5000-0.5506-1.0098 ( 3076 PWs) bands (ev): -35.5985 -35.5985 -23.0996 -23.0996 -16.6359 -16.6359 -15.2331 -15.2331 -15.1955 -15.1955 -6.9248 -6.9248 -6.7128 -6.7128 -6.5463 -6.5463 -4.7999 -4.7999 -4.7812 -4.7812 3.4378 3.4378 3.5360 3.5360 3.7683 3.7683 4.4673 4.4673 4.5217 4.5217 4.6389 4.6389 9.5484 9.5484 10.1591 10.1591 10.3075 10.3075 11.6523 11.6523 k = 0.5000-0.5381-1.0304 ( 3070 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6360 -16.6360 -15.2327 -15.2327 -15.1963 -15.1963 -6.9241 -6.9241 -6.7138 -6.7138 -6.5461 -6.5461 -4.7980 -4.7980 -4.7824 -4.7824 3.4613 3.4613 3.5334 3.5334 3.7377 3.7377 4.4834 4.4834 4.5225 4.5225 4.6263 4.6263 9.5382 9.5382 10.1867 10.1867 10.2675 10.2675 11.6943 11.6943 k = 0.5000-0.5256-1.0510 ( 3068 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6361 -16.6361 -15.2325 -15.2325 -15.1966 -15.1966 -6.9238 -6.9238 -6.7142 -6.7142 -6.5460 -6.5460 -4.7972 -4.7972 -4.7830 -4.7830 3.4747 3.4747 3.5315 3.5315 3.7202 3.7202 4.4964 4.4964 4.5225 4.5225 4.6180 4.6180 9.5196 9.5196 10.1965 10.1965 10.2528 10.2528 11.7383 11.7383 k = 0.5000-0.5132-1.0716 ( 3066 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6361 -16.6361 -15.2325 -15.2325 -15.1965 -15.1965 -6.9237 -6.9237 -6.7140 -6.7140 -6.5460 -6.5460 -4.7975 -4.7975 -4.7831 -4.7831 3.4748 3.4748 3.5301 3.5301 3.7190 3.7190 4.5034 4.5034 4.5217 4.5217 4.6171 4.6171 9.4952 9.4952 10.1592 10.1592 10.2905 10.2905 11.7829 11.7829 k = 0.5000-0.5007-1.0922 ( 3074 PWs) bands (ev): -35.5984 -35.5984 -23.0996 -23.0996 -16.6360 -16.6360 -15.2327 -15.2327 -15.1961 -15.1961 -6.9239 -6.9239 -6.7133 -6.7133 -6.5461 -6.5461 -4.7986 -4.7986 -4.7831 -4.7831 3.4629 3.4629 3.5291 3.5291 3.7330 3.7330 4.5027 4.5027 4.5200 4.5200 4.6255 4.6255 9.4674 9.4674 10.1122 10.1122 10.3411 10.3411 11.8262 11.8262 k = 0.5000-0.4882-1.1128 ( 3062 PWs) bands (ev): -35.5984 -35.5984 -23.0996 -23.0996 -16.6359 -16.6359 -15.2331 -15.2331 -15.1953 -15.1953 -6.9243 -6.9243 -6.7120 -6.7120 -6.5462 -6.5462 -4.8002 -4.8002 -4.7832 -4.7832 3.4433 3.4433 3.5284 3.5284 3.7577 3.7577 4.4961 4.4961 4.5170 4.5170 4.6420 4.6420 9.4379 9.4379 10.0627 10.0627 10.3957 10.3957 11.8658 11.8658 k = 0.8164-0.4020-0.9479 ( 3062 PWs) bands (ev): -35.5984 -35.5984 -23.0996 -23.0996 -16.6359 -16.6359 -15.2331 -15.2331 -15.1953 -15.1953 -6.9243 -6.9243 -6.7120 -6.7120 -6.5462 -6.5462 -4.8002 -4.8002 -4.7832 -4.7832 3.4433 3.4433 3.5284 3.5284 3.7577 3.7577 4.4961 4.4961 4.5170 4.5170 4.6420 4.6420 9.4379 9.4379 10.0627 10.0627 10.3957 10.3957 11.8658 11.8658 k = 0.8101-0.3913-0.9273 ( 3064 PWs) bands (ev): -35.5985 -35.5985 -23.0997 -23.0997 -16.6357 -16.6357 -15.2335 -15.2335 -15.1942 -15.1942 -6.9249 -6.9249 -6.7103 -6.7103 -6.5466 -6.5466 -4.8021 -4.8021 -4.7837 -4.7837 3.4205 3.4205 3.5279 3.5279 3.7886 3.7886 4.4865 4.4865 4.5128 4.5128 4.6640 4.6640 9.4079 9.4079 10.0120 10.0120 10.4522 10.4522 11.8992 11.8992 k = 0.8038-0.3805-0.9067 ( 3060 PWs) bands (ev): -35.5986 -35.5986 -23.0998 -23.0998 -16.6354 -16.6354 -15.2340 -15.2340 -15.1929 -15.1929 -6.9255 -6.9255 -6.7081 -6.7081 -6.5470 -6.5470 -4.8040 -4.8040 -4.7849 -4.7849 3.3973 3.3973 3.5273 3.5273 3.8229 3.8229 4.4762 4.4762 4.5073 4.5073 4.6894 4.6894 9.3782 9.3782 9.9606 9.9606 10.5091 10.5091 11.9241 11.9241 k = 0.7975-0.3697-0.8861 ( 3054 PWs) bands (ev): -35.5986 -35.5986 -23.1000 -23.1000 -16.6351 -16.6351 -15.2344 -15.2344 -15.1915 -15.1915 -6.9260 -6.9260 -6.7055 -6.7055 -6.5477 -6.5477 -4.8061 -4.8061 -4.7866 -4.7866 3.3753 3.3753 3.5264 3.5264 3.8590 3.8590 4.4667 4.4667 4.5007 4.5007 4.7171 4.7171 9.3494 9.3494 9.9087 9.9087 10.5655 10.5655 11.9389 11.9389 k = 0.7911-0.3590-0.8655 ( 3050 PWs) bands (ev): -35.5987 -35.5987 -23.1001 -23.1001 -16.6346 -16.6346 -15.2348 -15.2348 -15.1898 -15.1898 -6.9266 -6.9266 -6.7026 -6.7026 -6.5485 -6.5485 -4.8082 -4.8082 -4.7891 -4.7891 3.3553 3.3553 3.5252 3.5252 3.8960 3.8960 4.4586 4.4586 4.4930 4.4930 4.7465 4.7465 9.3221 9.3221 9.8567 9.8567 10.6204 10.6204 11.9429 11.9429 k = 0.7848-0.3482-0.8449 ( 3050 PWs) bands (ev): -35.5988 -35.5988 -23.1004 -23.1004 -16.6341 -16.6341 -15.2350 -15.2350 -15.1881 -15.1881 -6.9269 -6.9269 -6.6994 -6.6994 -6.5494 -6.5494 -4.8103 -4.8103 -4.7923 -4.7923 3.3379 3.3379 3.5234 3.5234 3.9330 3.9330 4.4527 4.4527 4.4842 4.4842 4.7770 4.7770 9.2965 9.2965 9.8049 9.8049 10.6730 10.6730 11.9356 11.9356 k = 0.7785-0.3375-0.8243 ( 3054 PWs) bands (ev): -35.5990 -35.5990 -23.1006 -23.1006 -16.6335 -16.6335 -15.2351 -15.2351 -15.1863 -15.1863 -6.9271 -6.9271 -6.6961 -6.6961 -6.5506 -6.5506 -4.8125 -4.8125 -4.7962 -4.7962 3.3233 3.3233 3.5209 3.5209 3.9699 3.9699 4.4492 4.4492 4.4746 4.4746 4.8086 4.8086 9.2728 9.2728 9.7533 9.7533 10.7225 10.7225 11.9173 11.9173 k = 0.7721-0.3267-0.8036 ( 3054 PWs) bands (ev): -35.5991 -35.5991 -23.1009 -23.1009 -16.6328 -16.6328 -15.2350 -15.2350 -15.1844 -15.1844 -6.9271 -6.9271 -6.6926 -6.6926 -6.5519 -6.5519 -4.8149 -4.8149 -4.8006 -4.8006 3.3119 3.3119 3.5176 3.5176 4.0061 4.0061 4.4476 4.4476 4.4652 4.4652 4.8409 4.8409 9.2512 9.2512 9.7024 9.7024 10.7682 10.7682 11.8917 11.8917 k = 0.7658-0.3159-0.7830 ( 3060 PWs) bands (ev): -35.5993 -35.5993 -23.1013 -23.1013 -16.6320 -16.6320 -15.2348 -15.2348 -15.1825 -15.1825 -6.9268 -6.9268 -6.6890 -6.6890 -6.5533 -6.5533 -4.8177 -4.8177 -4.8053 -4.8053 3.3035 3.3035 3.5136 3.5136 4.0415 4.0415 4.4440 4.4440 4.4601 4.4601 4.8738 4.8738 9.2319 9.2319 9.6521 9.6521 10.8094 10.8094 11.8616 11.8616 k = 0.7595-0.3052-0.7624 ( 3062 PWs) bands (ev): -35.5995 -35.5995 -23.1017 -23.1017 -16.6311 -16.6311 -15.2343 -15.2343 -15.1805 -15.1805 -6.9261 -6.9261 -6.6855 -6.6855 -6.5549 -6.5549 -4.8216 -4.8216 -4.8096 -4.8096 3.2983 3.2983 3.5088 3.5088 4.0757 4.0757 4.4342 4.4342 4.4640 4.4640 4.9070 4.9070 9.2149 9.2149 9.6029 9.6029 10.8455 10.8455 11.8267 11.8267 k = 0.7532-0.2944-0.7418 ( 3058 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6301 -16.6301 -15.2337 -15.2337 -15.1785 -15.1785 -6.9251 -6.9251 -6.6820 -6.6820 -6.5565 -6.5565 -4.8272 -4.8272 -4.8131 -4.8131 3.2963 3.2963 3.5033 3.5033 4.1086 4.1086 4.4217 4.4217 4.4734 4.4734 4.9405 4.9405 9.2002 9.2002 9.5549 9.5549 10.8759 10.8759 11.7847 11.7847 k = 0.7468-0.2836-0.7212 ( 3058 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6291 -16.6291 -15.2329 -15.2329 -15.1765 -15.1765 -6.9237 -6.9237 -6.6786 -6.6786 -6.5583 -6.5583 -4.8343 -4.8343 -4.8156 -4.8156 3.2973 3.2973 3.4972 3.4972 4.1400 4.1400 4.4085 4.4085 4.4867 4.4867 4.9740 4.9740 9.1879 9.1879 9.5083 9.5083 10.9005 10.9005 11.7354 11.7354 k = 0.7405-0.2729-0.7006 ( 3060 PWs) bands (ev): -35.6002 -35.6002 -23.1030 -23.1030 -16.6279 -16.6279 -15.2319 -15.2319 -15.1745 -15.1745 -6.9220 -6.9220 -6.6753 -6.6753 -6.5600 -6.5600 -4.8428 -4.8428 -4.8174 -4.8174 3.3013 3.3013 3.4908 3.4908 4.1695 4.1695 4.3952 4.3952 4.5036 4.5036 5.0073 5.0073 9.1780 9.1780 9.4634 9.4634 10.9189 10.9189 11.6796 11.6796 k = 0.7342-0.2621-0.6800 ( 3056 PWs) bands (ev): -35.6004 -35.6004 -23.1035 -23.1035 -16.6266 -16.6266 -15.2307 -15.2307 -15.1725 -15.1725 -6.9199 -6.9199 -6.6723 -6.6723 -6.5617 -6.5617 -4.8523 -4.8523 -4.8189 -4.8189 3.3079 3.3079 3.4841 3.4841 4.1966 4.1966 4.3826 4.3826 4.5239 4.5239 5.0403 5.0403 9.1705 9.1705 9.4202 9.4202 10.9313 10.9313 11.6184 11.6184 k = 0.7278-0.2514-0.6594 ( 3058 PWs) bands (ev): -35.6007 -35.6007 -23.1041 -23.1041 -16.6253 -16.6253 -15.2293 -15.2293 -15.1704 -15.1704 -6.9175 -6.9175 -6.6696 -6.6696 -6.5633 -6.5633 -4.8626 -4.8626 -4.8201 -4.8201 3.3172 3.3172 3.4774 3.4774 4.2208 4.2208 4.3714 4.3714 4.5473 4.5473 5.0727 5.0727 9.1652 9.1652 9.3791 9.3791 10.9379 10.9379 11.5527 11.5527 k = 0.7215-0.2406-0.6388 ( 3060 PWs) bands (ev): -35.6010 -35.6010 -23.1047 -23.1047 -16.6239 -16.6239 -15.2277 -15.2277 -15.1683 -15.1683 -6.9147 -6.9147 -6.6673 -6.6673 -6.5648 -6.5648 -4.8736 -4.8736 -4.8212 -4.8212 3.3286 3.3286 3.4709 3.4709 4.2408 4.2408 4.3633 4.3633 4.5735 4.5735 5.1043 5.1043 9.1622 9.1622 9.3402 9.3402 10.9387 10.9387 11.4833 11.4833 k = 0.7152-0.2298-0.6182 ( 3058 PWs) bands (ev): -35.6013 -35.6013 -23.1053 -23.1053 -16.6224 -16.6224 -15.2260 -15.2260 -15.1662 -15.1662 -6.9116 -6.9116 -6.6653 -6.6653 -6.5660 -6.5660 -4.8853 -4.8853 -4.8221 -4.8221 3.3421 3.3421 3.4650 3.4650 4.2547 4.2547 4.3604 4.3604 4.6025 4.6025 5.1348 5.1348 9.1612 9.1612 9.3038 9.3038 10.9342 10.9342 11.4108 11.4108 k = 0.7089-0.2191-0.5976 ( 3064 PWs) bands (ev): -35.6017 -35.6017 -23.1059 -23.1059 -16.6208 -16.6208 -15.2242 -15.2242 -15.1640 -15.1640 -6.9083 -6.9083 -6.6638 -6.6638 -6.5668 -6.5668 -4.8977 -4.8977 -4.8229 -4.8229 3.3570 3.3570 3.4597 3.4597 4.2612 4.2612 4.3645 4.3645 4.6338 4.6338 5.1641 5.1641 9.1623 9.1623 9.2700 9.2700 10.9246 10.9246 11.3363 11.3363 k = 0.7025-0.2083-0.5770 ( 3068 PWs) bands (ev): -35.6020 -35.6020 -23.1066 -23.1066 -16.6191 -16.6191 -15.2222 -15.2222 -15.1618 -15.1618 -6.9048 -6.9048 -6.6627 -6.6627 -6.5674 -6.5674 -4.9105 -4.9105 -4.8236 -4.8236 3.3730 3.3730 3.4554 3.4554 4.2611 4.2611 4.3751 4.3751 4.6674 4.6674 5.1919 5.1919 9.1650 9.1650 9.2393 9.2393 10.9100 10.9100 11.2605 11.2605 k = 0.6962-0.1975-0.5564 ( 3066 PWs) bands (ev): -35.6024 -35.6024 -23.1073 -23.1073 -16.6174 -16.6174 -15.2202 -15.2202 -15.1595 -15.1595 -6.9012 -6.9012 -6.6621 -6.6621 -6.5674 -6.5674 -4.9238 -4.9238 -4.8243 -4.8243 3.3897 3.3897 3.4522 3.4522 4.2572 4.2572 4.3900 4.3900 4.7029 4.7029 5.2179 5.2179 9.1686 9.1686 9.2124 9.2124 10.8906 10.8906 11.1842 11.1842 k = 0.6899-0.1868-0.5358 ( 3064 PWs) bands (ev): -35.6027 -35.6027 -23.1080 -23.1080 -16.6157 -16.6157 -15.2180 -15.2180 -15.1572 -15.1572 -6.8974 -6.8974 -6.6619 -6.6619 -6.5671 -6.5671 -4.9375 -4.9375 -4.8249 -4.8249 3.4063 3.4063 3.4504 3.4504 4.2521 4.2521 4.4072 4.4072 4.7402 4.7402 5.2418 5.2418 9.1689 9.1689 9.1935 9.1935 10.8666 10.8666 11.1083 11.1083 k = 0.6835-0.1760-0.5151 ( 3060 PWs) bands (ev): -35.6031 -35.6031 -23.1087 -23.1087 -16.6138 -16.6138 -15.2158 -15.2158 -15.1548 -15.1548 -6.8937 -6.8937 -6.6621 -6.6621 -6.5662 -6.5662 -4.9516 -4.9516 -4.8254 -4.8254 3.4222 3.4222 3.4502 3.4502 4.2474 4.2474 4.4257 4.4257 4.7790 4.7790 5.2635 5.2635 9.1561 9.1561 9.1924 9.1924 10.8381 10.8381 11.0338 11.0338 k = 0.6772-0.1652-0.4945 ( 3054 PWs) bands (ev): -35.6034 -35.6034 -23.1095 -23.1095 -16.6120 -16.6120 -15.2136 -15.2136 -15.1523 -15.1523 -6.8902 -6.8902 -6.6625 -6.6625 -6.5650 -6.5650 -4.9659 -4.9659 -4.8259 -4.8259 3.4369 3.4369 3.4517 3.4517 4.2440 4.2440 4.4452 4.4452 4.8190 4.8190 5.2826 5.2826 9.1388 9.1388 9.2002 9.2002 10.8053 10.8053 10.9614 10.9614 k = 0.6709-0.1545-0.4739 ( 3052 PWs) bands (ev): -35.6038 -35.6038 -23.1102 -23.1102 -16.6101 -16.6101 -15.2114 -15.2114 -15.1497 -15.1497 -6.8868 -6.8868 -6.6631 -6.6631 -6.5633 -6.5633 -4.9804 -4.9804 -4.8264 -4.8264 3.4490 3.4490 3.4558 3.4558 4.2422 4.2422 4.4660 4.4660 4.8600 4.8600 5.2988 5.2988 9.1233 9.1233 9.2106 9.2106 10.7682 10.7682 10.8922 10.8922 k = 0.6646-0.1437-0.4533 ( 3046 PWs) bands (ev): -35.6042 -35.6042 -23.1110 -23.1110 -16.6082 -16.6082 -15.2092 -15.2092 -15.1470 -15.1470 -6.8838 -6.8838 -6.6636 -6.6636 -6.5612 -6.5612 -4.9951 -4.9951 -4.8269 -4.8269 3.4574 3.4574 3.4634 3.4634 4.2423 4.2423 4.4884 4.4884 4.9017 4.9017 5.3121 5.3121 9.1104 9.1104 9.2224 9.2224 10.7272 10.7272 10.8269 10.8269 k = 0.6582-0.1330-0.4327 ( 3050 PWs) bands (ev): -35.6046 -35.6046 -23.1118 -23.1118 -16.6063 -16.6063 -15.2071 -15.2071 -15.1441 -15.1441 -6.8812 -6.8812 -6.6641 -6.6641 -6.5588 -6.5588 -5.0098 -5.0098 -4.8274 -4.8274 3.4647 3.4647 3.4714 3.4714 4.2441 4.2441 4.5130 4.5130 4.9440 4.9440 5.3221 5.3221 9.1005 9.1005 9.2352 9.2352 10.6828 10.6828 10.7661 10.7661 k = 0.6519-0.1222-0.4121 ( 3052 PWs) bands (ev): -35.6050 -35.6050 -23.1126 -23.1126 -16.6043 -16.6043 -15.2050 -15.2050 -15.1412 -15.1412 -6.8791 -6.8791 -6.6643 -6.6643 -6.5560 -6.5560 -5.0245 -5.0245 -4.8280 -4.8280 3.4720 3.4720 3.4786 3.4786 4.2471 4.2471 4.5405 4.5405 4.9865 4.9865 5.3287 5.3287 9.0933 9.0933 9.2486 9.2486 10.6360 10.6360 10.7101 10.7101 k = 0.6456-0.1114-0.3915 ( 3054 PWs) bands (ev): -35.6054 -35.6054 -23.1134 -23.1134 -16.6024 -16.6024 -15.2031 -15.2031 -15.1381 -15.1381 -6.8777 -6.8777 -6.6642 -6.6642 -6.5530 -6.5530 -5.0392 -5.0392 -4.8286 -4.8286 3.4758 3.4758 3.4886 3.4886 4.2508 4.2508 4.5716 4.5716 5.0289 5.0289 5.3318 5.3318 9.0888 9.0888 9.2625 9.2625 10.5878 10.5878 10.6587 10.6587 k = 0.6392-0.1007-0.3709 ( 3054 PWs) bands (ev): -35.6058 -35.6058 -23.1141 -23.1141 -16.6005 -16.6005 -15.2012 -15.2012 -15.1349 -15.1349 -6.8769 -6.8769 -6.6636 -6.6636 -6.5498 -6.5498 -5.0537 -5.0537 -4.8292 -4.8292 3.4757 3.4757 3.5020 3.5020 4.2545 4.2545 4.6067 4.6067 5.0710 5.0710 5.3314 5.3314 9.0868 9.0868 9.2765 9.2765 10.5392 10.5392 10.6120 10.6120 k = 0.6329-0.0899-0.3503 ( 3052 PWs) bands (ev): -35.6062 -35.6062 -23.1149 -23.1149 -16.5986 -16.5986 -15.1995 -15.1995 -15.1316 -15.1316 -6.8769 -6.8769 -6.6625 -6.6625 -6.5464 -6.5464 -5.0681 -5.0681 -4.8298 -4.8298 3.4725 3.4725 3.5180 3.5180 4.2579 4.2579 4.6462 4.6462 5.1122 5.1122 5.3276 5.3276 9.0870 9.0870 9.2905 9.2905 10.4898 10.4898 10.5713 10.5713 k = 0.6266-0.0791-0.3297 ( 3054 PWs) bands (ev): -35.6066 -35.6066 -23.1157 -23.1157 -16.5967 -16.5967 -15.1978 -15.1978 -15.1282 -15.1282 -6.8776 -6.8776 -6.6609 -6.6609 -6.5428 -6.5428 -5.0822 -5.0822 -4.8305 -4.8305 3.4669 3.4669 3.5366 3.5366 4.2603 4.2603 4.6901 4.6901 5.1518 5.1518 5.3208 5.3208 9.0892 9.0892 9.3041 9.3041 10.4389 10.4389 10.5380 10.5380 k = 0.6203-0.0684-0.3091 ( 3056 PWs) bands (ev): -35.6070 -35.6070 -23.1165 -23.1165 -16.5949 -16.5949 -15.1964 -15.1964 -15.1247 -15.1247 -6.8790 -6.8790 -6.6589 -6.6589 -6.5390 -6.5390 -5.0960 -5.0960 -4.8313 -4.8313 3.4593 3.4593 3.5575 3.5575 4.2617 4.2617 4.7382 4.7382 5.1881 5.1881 5.3126 5.3126 9.0931 9.0931 9.3173 9.3173 10.3859 10.3859 10.5134 10.5134 k = 0.6139-0.0576-0.2885 ( 3060 PWs) bands (ev): -35.6074 -35.6074 -23.1172 -23.1172 -16.5931 -16.5931 -15.1950 -15.1950 -15.1212 -15.1212 -6.8811 -6.8811 -6.6563 -6.6563 -6.5351 -6.5351 -5.1094 -5.1094 -4.8321 -4.8321 3.4500 3.4500 3.5809 3.5809 4.2619 4.2619 4.7902 4.7902 5.2166 5.2166 5.3073 5.3073 9.0985 9.0985 9.3297 9.3297 10.3306 10.3306 10.4981 10.4981 k = 0.6076-0.0469-0.2679 ( 3060 PWs) bands (ev): -35.6078 -35.6078 -23.1179 -23.1179 -16.5914 -16.5914 -15.1937 -15.1937 -15.1177 -15.1177 -6.8838 -6.8838 -6.6534 -6.6534 -6.5310 -6.5310 -5.1224 -5.1224 -4.8330 -4.8330 3.4395 3.4395 3.6067 3.6067 4.2610 4.2610 4.8455 4.8455 5.2270 5.2270 5.3151 5.3151 9.1051 9.1051 9.3413 9.3413 10.2734 10.2734 10.4923 10.4923 k = 0.6013-0.0361-0.2472 ( 3060 PWs) bands (ev): -35.6081 -35.6081 -23.1187 -23.1187 -16.5897 -16.5897 -15.1926 -15.1926 -15.1141 -15.1141 -6.8870 -6.8870 -6.6502 -6.6502 -6.5269 -6.5269 -5.1350 -5.1350 -4.8340 -4.8340 3.4280 3.4280 3.6349 3.6349 4.2590 4.2590 4.9035 4.9035 5.2164 5.2164 5.3390 5.3390 9.1129 9.1129 9.3518 9.3518 10.2145 10.2145 10.4960 10.4960 k = 0.5949-0.0253-0.2266 ( 3058 PWs) bands (ev): -35.6085 -35.6085 -23.1193 -23.1193 -16.5881 -16.5881 -15.1916 -15.1916 -15.1106 -15.1106 -6.8906 -6.8906 -6.6468 -6.6468 -6.5226 -6.5226 -5.1470 -5.1470 -4.8349 -4.8349 3.4159 3.4159 3.6654 3.6654 4.2560 4.2560 4.9632 4.9632 5.1942 5.1942 5.3695 5.3695 9.1219 9.1219 9.3610 9.3610 10.1543 10.1543 10.5089 10.5089 k = 0.5886-0.0146-0.2060 ( 3068 PWs) bands (ev): -35.6088 -35.6088 -23.1200 -23.1200 -16.5866 -16.5866 -15.1907 -15.1907 -15.1071 -15.1071 -6.8945 -6.8945 -6.6434 -6.6434 -6.5183 -6.5183 -5.1585 -5.1585 -4.8359 -4.8359 3.4036 3.4036 3.6981 3.6981 4.2524 4.2524 5.0234 5.0234 5.1666 5.1666 5.4014 5.4014 9.1319 9.1319 9.3688 9.3688 10.0934 10.0934 10.5309 10.5309 k = 0.5823-0.0038-0.1854 ( 3068 PWs) bands (ev): -35.6091 -35.6091 -23.1206 -23.1206 -16.5852 -16.5852 -15.1899 -15.1899 -15.1037 -15.1037 -6.8986 -6.8986 -6.6398 -6.6398 -6.5140 -6.5140 -5.1693 -5.1693 -4.8370 -4.8370 3.3912 3.3912 3.7330 3.7330 4.2482 4.2482 5.0778 5.0778 5.1411 5.1411 5.4326 5.4326 9.1430 9.1430 9.3751 9.3751 10.0322 10.0322 10.5613 10.5613 k = 0.5759 0.0070-0.1648 ( 3062 PWs) bands (ev): -35.6094 -35.6094 -23.1212 -23.1212 -16.5838 -16.5838 -15.1892 -15.1892 -15.1004 -15.1004 -6.9028 -6.9028 -6.6364 -6.6364 -6.5097 -6.5097 -5.1795 -5.1795 -4.8380 -4.8380 3.3790 3.3790 3.7699 3.7699 4.2436 4.2436 5.0814 5.0814 5.1629 5.1629 5.4626 5.4626 9.1552 9.1552 9.3797 9.3797 9.9716 9.9716 10.5996 10.5996 k = 0.5696 0.0177-0.1442 ( 3066 PWs) bands (ev): -35.6097 -35.6097 -23.1218 -23.1218 -16.5825 -16.5825 -15.1886 -15.1886 -15.0973 -15.0973 -6.9070 -6.9070 -6.6331 -6.6331 -6.5055 -6.5055 -5.1891 -5.1891 -4.8390 -4.8390 3.3671 3.3671 3.8086 3.8086 4.2388 4.2388 5.0463 5.0463 5.2196 5.2196 5.4908 5.4908 9.1686 9.1686 9.3824 9.3824 9.9122 9.9122 10.6449 10.6449 k = 0.5633 0.0285-0.1236 ( 3066 PWs) bands (ev): -35.6099 -35.6099 -23.1223 -23.1223 -16.5814 -16.5814 -15.1881 -15.1881 -15.0943 -15.0943 -6.9111 -6.9111 -6.6299 -6.6299 -6.5013 -6.5013 -5.1979 -5.1979 -4.8400 -4.8400 3.3558 3.3558 3.8491 3.8491 4.2339 4.2339 5.0049 5.0049 5.2786 5.2786 5.5171 5.5171 9.1831 9.1831 9.3831 9.3831 9.8551 9.8551 10.6962 10.6962 k = 0.5570 0.0392-0.1030 ( 3062 PWs) bands (ev): -35.6102 -35.6102 -23.1227 -23.1227 -16.5803 -16.5803 -15.1876 -15.1876 -15.0915 -15.0915 -6.9151 -6.9151 -6.6270 -6.6270 -6.4974 -6.4974 -5.2059 -5.2059 -4.8410 -4.8410 3.3451 3.3451 3.8910 3.8910 4.2291 4.2291 4.9607 4.9607 5.3359 5.3359 5.5415 5.5415 9.1985 9.1985 9.3815 9.3815 9.8014 9.8014 10.7518 10.7518 k = 0.5506 0.0500-0.0824 ( 3062 PWs) bands (ev): -35.6104 -35.6104 -23.1232 -23.1232 -16.5793 -16.5793 -15.1872 -15.1872 -15.0890 -15.0890 -6.9189 -6.9189 -6.6244 -6.6244 -6.4936 -6.4936 -5.2132 -5.2132 -4.8420 -4.8420 3.3353 3.3353 3.9339 3.9339 4.2245 4.2245 4.9148 4.9148 5.3901 5.3901 5.5639 5.5639 9.2147 9.2147 9.3773 9.3773 9.7522 9.7522 10.8084 10.8084 k = 0.5443 0.0608-0.0618 ( 3068 PWs) bands (ev): -35.6106 -35.6106 -23.1236 -23.1236 -16.5784 -16.5784 -15.1869 -15.1869 -15.0867 -15.0867 -6.9223 -6.9223 -6.6220 -6.6220 -6.4902 -6.4902 -5.2197 -5.2197 -4.8428 -4.8428 3.3264 3.3264 3.9775 3.9775 4.2202 4.2202 4.8680 4.8680 5.4401 5.4401 5.5844 5.5844 9.2313 9.2313 9.3705 9.3705 9.7086 9.7086 10.8568 10.8568 k = 0.5380 0.0715-0.0412 ( 3070 PWs) bands (ev): -35.6108 -35.6108 -23.1239 -23.1239 -16.5777 -16.5777 -15.1866 -15.1866 -15.0846 -15.0846 -6.9254 -6.9254 -6.6199 -6.6199 -6.4870 -6.4870 -5.2254 -5.2254 -4.8436 -4.8436 3.3185 3.3185 4.0212 4.0212 4.2164 4.2164 4.8210 4.8210 5.4847 5.4847 5.6031 5.6031 9.2477 9.2477 9.3612 9.3612 9.6716 9.6716 10.8733 10.8733 k = 0.5316 0.0823-0.0206 ( 3064 PWs) bands (ev): -35.6109 -35.6109 -23.1242 -23.1242 -16.5770 -16.5770 -15.1863 -15.1863 -15.0829 -15.0829 -6.9281 -6.9281 -6.6181 -6.6181 -6.4843 -6.4843 -5.2302 -5.2302 -4.8443 -4.8443 3.3117 3.3117 4.0639 4.0639 4.2133 4.2133 4.7750 4.7750 5.5228 5.5228 5.6203 5.6203 9.2634 9.2634 9.3498 9.3498 9.6417 9.6417 10.8513 10.8513 k = 0.5253 0.0931 0.0000 ( 3064 PWs) bands (ev): -35.6110 -35.6110 -23.1244 -23.1244 -16.5765 -16.5765 -15.1862 -15.1862 -15.0814 -15.0814 -6.9304 -6.9304 -6.6167 -6.6167 -6.4819 -6.4819 -5.2342 -5.2342 -4.8449 -4.8449 3.3061 3.3061 4.1044 4.1044 4.2110 4.2110 4.7312 4.7312 5.5534 5.5534 5.6363 5.6363 9.2777 9.2777 9.3374 9.3374 9.6188 9.6188 10.8176 10.8176 k = 0.5190 0.1038 0.0206 ( 3070 PWs) bands (ev): -35.6111 -35.6111 -23.1246 -23.1246 -16.5761 -16.5761 -15.1860 -15.1860 -15.0803 -15.0803 -6.9322 -6.9322 -6.6156 -6.6156 -6.4801 -6.4801 -5.2373 -5.2373 -4.8454 -4.8454 3.3016 3.3016 4.1405 4.1405 4.2101 4.2101 4.6915 4.6915 5.5761 5.5761 5.6506 5.6506 9.2898 9.2898 9.3255 9.3255 9.6022 9.6022 10.7865 10.7865 k = 0.5127 0.1146 0.0413 ( 3066 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5758 -16.5758 -15.1859 -15.1859 -15.0795 -15.0795 -6.9335 -6.9335 -6.6148 -6.6148 -6.4788 -6.4788 -5.2395 -5.2395 -4.8457 -4.8457 3.2984 3.2984 4.1683 4.1683 4.2116 4.2116 4.6589 4.6589 5.5913 5.5913 5.6624 5.6624 9.2991 9.2991 9.3157 9.3157 9.5912 9.5912 10.7625 10.7625 k = 0.5063 0.1254 0.0619 ( 3074 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1859 -15.1859 -15.0790 -15.0790 -6.9343 -6.9343 -6.6143 -6.6143 -6.4779 -6.4779 -5.2408 -5.2408 -4.8459 -4.8459 3.2965 3.2965 4.1833 4.1833 4.2165 4.2165 4.6368 4.6368 5.5998 5.5998 5.6703 5.6703 9.3049 9.3049 9.3092 9.3092 9.5849 9.5849 10.7474 10.7474 k = 0.5000 0.1361 0.0825 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9346 -6.9346 -6.6141 -6.6141 -6.4777 -6.4777 -5.2413 -5.2413 -4.8460 -4.8460 3.2958 3.2958 4.1873 4.1873 4.2198 4.2198 4.6290 4.6290 5.6025 5.6025 5.6731 5.6731 9.3065 9.3065 9.3074 9.3074 9.5829 9.5829 10.7423 10.7423 k = 0.5000 0.1361 0.0825 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9346 -6.9346 -6.6141 -6.6141 -6.4777 -6.4777 -5.2413 -5.2413 -4.8460 -4.8460 3.2958 3.2958 4.1873 4.1873 4.2198 4.2198 4.6290 4.6290 5.6025 5.6025 5.6731 5.6731 9.3065 9.3065 9.3074 9.3074 9.5829 9.5829 10.7423 10.7423 k = 0.4773 0.1299 0.0787 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9342 -6.9342 -6.6141 -6.6141 -6.4777 -6.4777 -5.2442 -5.2442 -4.8433 -4.8433 3.2923 3.2923 4.1870 4.1870 4.2196 4.2196 4.6340 4.6340 5.6031 5.6031 5.6736 5.6736 9.3062 9.3062 9.3071 9.3071 9.5828 9.5828 10.7385 10.7385 k = 0.4545 0.1237 0.0750 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9333 -6.9333 -6.6138 -6.6138 -6.4777 -6.4777 -5.2529 -5.2529 -4.8353 -4.8353 3.2820 3.2820 4.1862 4.1862 4.2188 4.2188 4.6490 4.6490 5.6048 5.6048 5.6754 5.6754 9.3053 9.3053 9.3062 9.3062 9.5824 9.5824 10.7263 10.7263 k = 0.4318 0.1176 0.0712 ( 3061 PWs) bands (ev): -35.6112 -35.6112 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9318 -6.9318 -6.6135 -6.6135 -6.4777 -6.4777 -5.2665 -5.2665 -4.8228 -4.8228 3.2654 3.2654 4.1849 4.1849 4.2175 4.2175 4.6733 4.6733 5.6077 5.6077 5.6782 5.6782 9.3039 9.3039 9.3047 9.3047 9.5819 9.5819 10.7046 10.7046 k = 0.4091 0.1114 0.0675 ( 3043 PWs) bands (ev): -35.6112 -35.6112 -23.1248 -23.1248 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9298 -6.9298 -6.6130 -6.6130 -6.4777 -6.4777 -5.2841 -5.2841 -4.8068 -4.8068 3.2435 3.2435 4.1831 4.1831 4.2157 4.2157 4.7058 4.7058 5.6116 5.6116 5.6822 5.6822 9.3019 9.3019 9.3027 9.3027 9.5811 9.5811 10.6715 10.6715 k = 0.3864 0.1052 0.0637 ( 3040 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9272 -6.9272 -6.6123 -6.6123 -6.4776 -6.4776 -5.3046 -5.3046 -4.7882 -4.7882 3.2173 3.2173 4.1809 4.1809 4.2135 4.2135 4.7455 4.7455 5.6164 5.6164 5.6871 5.6871 9.2994 9.2994 9.3002 9.3002 9.5801 9.5801 10.6261 10.6261 k = 0.3636 0.0990 0.0600 ( 3034 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9242 -6.9242 -6.6115 -6.6115 -6.4776 -6.4776 -5.3272 -5.3272 -4.7680 -4.7680 3.1878 3.1878 4.1783 4.1783 4.2109 4.2109 4.7910 4.7910 5.6222 5.6222 5.6928 5.6928 9.2965 9.2965 9.2972 9.2972 9.5787 9.5787 10.5688 10.5688 k = 0.3409 0.0928 0.0562 ( 3040 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9207 -6.9207 -6.6106 -6.6106 -6.4776 -6.4776 -5.3511 -5.3511 -4.7469 -4.7469 3.1561 3.1561 4.1753 4.1753 4.2080 4.2080 4.8412 4.8412 5.6287 5.6287 5.6994 5.6994 9.2932 9.2932 9.2938 9.2938 9.5770 9.5770 10.5016 10.5016 k = 0.3182 0.0866 0.0525 ( 3040 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9169 -6.9169 -6.6095 -6.6095 -6.4776 -6.4776 -5.3757 -5.3757 -4.7253 -4.7253 3.1231 3.1231 4.1722 4.1722 4.2048 4.2048 4.8949 4.8949 5.6358 5.6358 5.7065 5.7065 9.2896 9.2896 9.2901 9.2901 9.5749 9.5749 10.4273 10.4273 k = 0.2955 0.0804 0.0487 ( 3043 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5756 -16.5756 -15.1859 -15.1859 -15.0788 -15.0788 -6.9129 -6.9129 -6.6084 -6.6084 -6.4776 -6.4776 -5.4005 -5.4005 -4.7039 -4.7039 3.0896 3.0896 4.1688 4.1688 4.2015 4.2015 4.9508 4.9508 5.6434 5.6434 5.7141 5.7141 9.2858 9.2858 9.2862 9.2862 9.5722 9.5722 10.3489 10.3489 k = 0.2727 0.0742 0.0450 ( 3055 PWs) bands (ev): -35.6112 -35.6112 -23.1248 -23.1248 -16.5756 -16.5756 -15.1860 -15.1860 -15.0788 -15.0788 -6.9086 -6.9086 -6.6071 -6.6071 -6.4776 -6.4776 -5.4250 -5.4250 -4.6830 -4.6830 3.0564 3.0564 4.1653 4.1653 4.1980 4.1980 5.0080 5.0080 5.6514 5.6514 5.7221 5.7221 9.2818 9.2818 9.2822 9.2822 9.5688 9.5688 10.2690 10.2690 k = 0.2500 0.0681 0.0412 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1860 -15.1860 -15.0788 -15.0788 -6.9042 -6.9042 -6.6057 -6.6057 -6.4777 -6.4777 -5.4489 -5.4489 -4.6629 -4.6629 3.0241 3.0241 4.1618 4.1618 4.1945 4.1945 5.0653 5.0653 5.6596 5.6596 5.7302 5.7302 9.2778 9.2778 9.2780 9.2780 9.5646 9.5646 10.1899 10.1899 k = 0.2273 0.0619 0.0375 ( 3076 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1860 -15.1860 -15.0788 -15.0788 -6.8998 -6.8998 -6.6043 -6.6043 -6.4777 -6.4777 -5.4718 -5.4718 -4.6438 -4.6438 2.9932 2.9932 4.1583 4.1583 4.1910 4.1910 5.1219 5.1219 5.6678 5.6678 5.7383 5.7383 9.2737 9.2737 9.2739 9.2739 9.5593 9.5593 10.1137 10.1137 k = 0.2045 0.0557 0.0337 ( 3079 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1860 -15.1860 -15.0788 -15.0788 -6.8954 -6.8954 -6.6028 -6.6028 -6.4777 -6.4777 -5.4935 -5.4935 -4.6259 -4.6259 2.9640 2.9640 4.1549 4.1549 4.1876 4.1876 5.1767 5.1767 5.6759 5.6759 5.7462 5.7462 9.2698 9.2698 9.2699 9.2699 9.5525 9.5525 10.0422 10.0422 k = 0.1818 0.0495 0.0300 ( 3079 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1861 -15.1861 -15.0788 -15.0788 -6.8912 -6.8912 -6.6013 -6.6013 -6.4777 -6.4777 -5.5137 -5.5137 -4.6095 -4.6095 2.9371 2.9371 4.1517 4.1517 4.1843 4.1843 5.2288 5.2288 5.6837 5.6837 5.7538 5.7538 9.2660 9.2660 9.2661 9.2661 9.5440 9.5440 9.9768 9.9768 k = 0.1591 0.0433 0.0262 ( 3091 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5756 -16.5756 -15.1861 -15.1861 -15.0788 -15.0788 -6.8873 -6.8873 -6.5998 -6.5998 -6.4777 -6.4777 -5.5322 -5.5322 -4.5947 -4.5947 2.9127 2.9127 4.1487 4.1487 4.1813 4.1813 5.2774 5.2774 5.6912 5.6912 5.7609 5.7609 9.2624 9.2624 9.2625 9.2625 9.5334 9.5334 9.9192 9.9192 k = 0.1364 0.0371 0.0225 ( 3091 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8837 -6.8837 -6.5984 -6.5984 -6.4777 -6.4777 -5.5486 -5.5486 -4.5816 -4.5816 2.8911 2.8911 4.1460 4.1460 4.1786 4.1786 5.3215 5.3215 5.6981 5.6981 5.7673 5.7673 9.2592 9.2592 9.2592 9.2592 9.5208 9.5208 9.8704 9.8704 k = 0.1136 0.0309 0.0187 ( 3097 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8804 -6.8804 -6.5971 -6.5971 -6.4777 -6.4777 -5.5630 -5.5630 -4.5704 -4.5704 2.8725 2.8725 4.1436 4.1436 4.1762 4.1762 5.3603 5.3603 5.7043 5.7043 5.7730 5.7730 9.2563 9.2563 9.2564 9.2564 9.5064 9.5064 9.8309 9.8309 k = 0.0909 0.0247 0.0150 ( 3097 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8777 -6.8777 -6.5960 -6.5960 -6.4777 -6.4777 -5.5749 -5.5749 -4.5610 -4.5610 2.8570 2.8570 4.1416 4.1416 4.1742 4.1742 5.3932 5.3932 5.7096 5.7096 5.7779 5.7779 9.2538 9.2538 9.2539 9.2539 9.4915 9.4915 9.8006 9.8006 k = 0.0682 0.0186 0.0112 ( 3100 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8755 -6.8755 -6.5950 -6.5950 -6.4777 -6.4777 -5.5844 -5.5844 -4.5537 -4.5537 2.8448 2.8448 4.1400 4.1400 4.1726 4.1726 5.4194 5.4194 5.7140 5.7140 5.7818 5.7818 9.2518 9.2518 9.2520 9.2520 9.4773 9.4773 9.7788 9.7788 k = 0.0455 0.0124 0.0075 ( 3098 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8739 -6.8739 -6.5943 -6.5943 -6.4777 -6.4777 -5.5913 -5.5913 -4.5484 -4.5484 2.8361 2.8361 4.1388 4.1388 4.1715 4.1715 5.4385 5.4385 5.7173 5.7173 5.7846 5.7846 9.2503 9.2504 9.2506 9.2506 9.4657 9.4657 9.7642 9.7642 k = 0.0227 0.0062 0.0037 ( 3101 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8730 -6.8730 -6.5939 -6.5939 -6.4777 -6.4777 -5.5954 -5.5954 -4.5452 -4.5452 2.8308 2.8308 4.1381 4.1381 4.1707 4.1707 5.4501 5.4501 5.7193 5.7193 5.7863 5.7863 9.2494 9.2494 9.2497 9.2497 9.4581 9.4581 9.7559 9.7559 k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8727 -6.8727 -6.5938 -6.5938 -6.4777 -6.4777 -5.5968 -5.5968 -4.5442 -4.5442 2.8290 2.8290 4.1379 4.1379 4.1705 4.1705 5.4540 5.4540 5.7200 5.7200 5.7869 5.7869 9.2491 9.2491 9.2494 9.2494 9.4554 9.4554 9.7533 9.7533 k = 0.0000 0.0000 0.0000 ( 3107 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1861 -15.1861 -15.0788 -15.0788 -6.8727 -6.8727 -6.5938 -6.5938 -6.4777 -6.4777 -5.5968 -5.5968 -4.5442 -4.5442 2.8290 2.8290 4.1379 4.1379 4.1705 4.1705 5.4540 5.4540 5.7200 5.7200 5.7869 5.7869 9.2491 9.2491 9.2494 9.2494 9.4554 9.4554 9.7533 9.7533 k = 0.0063-0.0108-0.0206 ( 3103 PWs) bands (ev): -35.6113 -35.6113 -23.1249 -23.1249 -16.5757 -16.5757 -15.1862 -15.1862 -15.0790 -15.0790 -6.8726 -6.8726 -6.5939 -6.5939 -6.4780 -6.4780 -5.5957 -5.5957 -4.5446 -4.5446 2.8303 2.8303 4.1373 4.1373 4.1699 4.1699 5.4547 5.4547 5.7164 5.7164 5.7832 5.7832 9.2490 9.2490 9.2518 9.2518 9.4567 9.4567 9.7581 9.7581 k = 0.0127-0.0215-0.0412 ( 3103 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5759 -16.5759 -15.1862 -15.1862 -15.0795 -15.0795 -6.8723 -6.8723 -6.5945 -6.5945 -6.4789 -6.4789 -5.5924 -5.5924 -4.5459 -4.5459 2.8344 2.8344 4.1352 4.1352 4.1686 4.1686 5.4565 5.4565 5.7051 5.7051 5.7729 5.7729 9.2483 9.2483 9.2592 9.2592 9.4604 9.4604 9.7726 9.7726 k = 0.0190-0.0323-0.0618 ( 3095 PWs) bands (ev): -35.6112 -35.6112 -23.1246 -23.1246 -16.5762 -16.5762 -15.1863 -15.1863 -15.0803 -15.0803 -6.8719 -6.8719 -6.5954 -6.5954 -6.4805 -6.4805 -5.5870 -5.5870 -4.5481 -4.5481 2.8411 2.8411 4.1307 4.1307 4.1676 4.1676 5.4592 5.4592 5.6844 5.6844 5.7582 5.7582 9.2472 9.2472 9.2708 9.2708 9.4669 9.4669 9.7967 9.7967 k = 0.0253-0.0431-0.0824 ( 3093 PWs) bands (ev): -35.6111 -35.6111 -23.1245 -23.1245 -16.5766 -16.5766 -15.1865 -15.1865 -15.0814 -15.0814 -6.8713 -6.8713 -6.5967 -6.5967 -6.4826 -6.4826 -5.5795 -5.5795 -4.5511 -4.5511 2.8504 2.8504 4.1229 4.1229 4.1679 4.1679 5.4625 5.4625 5.6533 5.6533 5.7412 5.7412 9.2459 9.2459 9.2856 9.2856 9.4763 9.4763 9.8304 9.8304 k = 0.0316-0.0538-0.1030 ( 3093 PWs) bands (ev): -35.6110 -35.6110 -23.1242 -23.1242 -16.5771 -16.5771 -15.1866 -15.1866 -15.0829 -15.0829 -6.8705 -6.8705 -6.5984 -6.5984 -6.4853 -6.4853 -5.5700 -5.5700 -4.5549 -4.5549 2.8623 2.8623 4.1117 4.1117 4.1698 4.1698 5.4653 5.4653 5.6123 5.6123 5.7229 5.7229 9.2445 9.2445 9.3024 9.3024 9.4889 9.4889 9.8732 9.8732 k = 0.0380-0.0646-0.1236 ( 3089 PWs) bands (ev): -35.6108 -35.6108 -23.1239 -23.1239 -16.5778 -16.5778 -15.1869 -15.1869 -15.0846 -15.0846 -6.8697 -6.8697 -6.6004 -6.6004 -6.4884 -6.4884 -5.5584 -5.5584 -4.5595 -4.5595 2.8768 2.8768 4.0975 4.0975 4.1731 4.1731 5.4650 5.4650 5.5651 5.5651 5.7029 5.7029 9.2433 9.2433 9.3200 9.3200 9.5054 9.5054 9.9247 9.9247 k = 0.0443-0.0753-0.1443 ( 3081 PWs) bands (ev): -35.6106 -35.6106 -23.1236 -23.1236 -16.5785 -16.5785 -15.1871 -15.1871 -15.0867 -15.0867 -6.8687 -6.8687 -6.6028 -6.6028 -6.4918 -6.4918 -5.5450 -5.5450 -4.5649 -4.5649 2.8938 2.8938 4.0810 4.0810 4.1775 4.1775 5.4511 5.4511 5.5233 5.5233 5.6811 5.6811 9.2425 9.2425 9.3372 9.3372 9.5261 9.5261 9.9839 9.9839 k = 0.0506-0.0861-0.1649 ( 3077 PWs) bands (ev): -35.6104 -35.6104 -23.1232 -23.1232 -16.5794 -16.5794 -15.1875 -15.1875 -15.0890 -15.0890 -6.8677 -6.8677 -6.6055 -6.6055 -6.4956 -6.4956 -5.5298 -5.5298 -4.5711 -4.5711 2.9133 2.9133 4.0626 4.0626 4.1828 4.1828 5.4053 5.4053 5.5060 5.5060 5.6571 5.6571 9.2423 9.2423 9.3532 9.3532 9.5514 9.5514 10.0497 10.0497 k = 0.0570-0.0969-0.1855 ( 3083 PWs) bands (ev): -35.6102 -35.6102 -23.1228 -23.1228 -16.5804 -16.5804 -15.1879 -15.1879 -15.0915 -15.0915 -6.8666 -6.8666 -6.6086 -6.6086 -6.4995 -6.4995 -5.5129 -5.5129 -4.5780 -4.5780 2.9350 2.9350 4.0427 4.0427 4.1887 4.1887 5.3388 5.3388 5.5031 5.5031 5.6313 5.6313 9.2429 9.2429 9.3677 9.3677 9.5815 9.5815 10.1207 10.1207 k = 0.0633-0.1076-0.2061 ( 3085 PWs) bands (ev): -35.6100 -35.6100 -23.1223 -23.1223 -16.5814 -16.5814 -15.1883 -15.1883 -15.0943 -15.0943 -6.8656 -6.8656 -6.6120 -6.6120 -6.5036 -6.5036 -5.4944 -5.4944 -4.5855 -4.5855 2.9590 2.9590 4.0219 4.0219 4.1950 4.1950 5.2639 5.2639 5.5023 5.5023 5.6040 5.6040 9.2446 9.2446 9.3805 9.3805 9.6162 9.6162 10.1954 10.1954 k = 0.0696-0.1184-0.2267 ( 3081 PWs) bands (ev): -35.6097 -35.6097 -23.1218 -23.1218 -16.5826 -16.5826 -15.1889 -15.1889 -15.0973 -15.0973 -6.8645 -6.8645 -6.6156 -6.6156 -6.5078 -6.5078 -5.4744 -5.4744 -4.5937 -4.5937 2.9852 2.9852 4.0004 4.0004 4.2015 4.2015 5.1845 5.1845 5.4993 5.4993 5.5766 5.5766 9.2475 9.2475 9.3918 9.3918 9.6553 9.6553 10.2723 10.2723 k = 0.0760-0.1292-0.2473 ( 3071 PWs) bands (ev): -35.6094 -35.6094 -23.1212 -23.1212 -16.5839 -16.5839 -15.1895 -15.1895 -15.1004 -15.1004 -6.8636 -6.8636 -6.6195 -6.6195 -6.5119 -6.5119 -5.4530 -5.4530 -4.6025 -4.6025 3.0134 3.0134 3.9785 3.9785 4.2079 4.2079 5.1025 5.1025 5.4901 5.4901 5.5523 5.5523 9.2517 9.2517 9.4017 9.4017 9.6985 9.6985 10.3496 10.3496 k = 0.0823-0.1399-0.2679 ( 3065 PWs) bands (ev): -35.6091 -35.6091 -23.1206 -23.1206 -16.5852 -16.5852 -15.1902 -15.1902 -15.1037 -15.1037 -6.8628 -6.8628 -6.6235 -6.6235 -6.5161 -6.5161 -5.4304 -5.4304 -4.6119 -4.6119 3.0435 3.0435 3.9566 3.9566 4.2140 4.2140 5.0192 5.0192 5.4697 5.4697 5.5355 5.5355 9.2574 9.2574 9.4103 9.4103 9.7456 9.7456 10.4257 10.4257 k = 0.0886-0.1507-0.2885 ( 3063 PWs) bands (ev): -35.6088 -35.6088 -23.1200 -23.1200 -16.5867 -16.5867 -15.1909 -15.1909 -15.1071 -15.1071 -6.8622 -6.8622 -6.6275 -6.6275 -6.5202 -6.5202 -5.4067 -5.4067 -4.6217 -4.6217 3.0753 3.0753 3.9348 3.9348 4.2193 4.2193 4.9356 4.9356 5.4390 5.4390 5.5253 5.5253 9.2645 9.2645 9.4180 9.4180 9.7963 9.7963 10.4991 10.4991 k = 0.0949-0.1614-0.3091 ( 3057 PWs) bands (ev): -35.6085 -35.6085 -23.1193 -23.1193 -16.5882 -16.5882 -15.1918 -15.1918 -15.1105 -15.1105 -6.8618 -6.8618 -6.6315 -6.6315 -6.5241 -6.5241 -5.3819 -5.3819 -4.6319 -4.6319 3.1087 3.1087 3.9135 3.9135 4.2234 4.2234 4.8529 4.8529 5.4024 5.4024 5.5174 5.5174 9.2731 9.2731 9.4246 9.4246 9.8504 9.8504 10.5682 10.5682 k = 0.1013-0.1722-0.3297 ( 3055 PWs) bands (ev): -35.6081 -35.6081 -23.1186 -23.1186 -16.5898 -16.5898 -15.1928 -15.1928 -15.1141 -15.1141 -6.8617 -6.8617 -6.6355 -6.6355 -6.5280 -6.5280 -5.3563 -5.3563 -4.6426 -4.6426 3.1435 3.1435 3.8928 3.8928 4.2253 4.2253 4.7724 4.7724 5.3624 5.3624 5.5093 5.5093 9.2831 9.2831 9.4304 9.4304 9.9077 9.9077 10.6316 10.6316 k = 0.1076-0.1830-0.3503 ( 3055 PWs) bands (ev): -35.6077 -35.6077 -23.1179 -23.1179 -16.5915 -16.5915 -15.1939 -15.1939 -15.1176 -15.1176 -6.8620 -6.8620 -6.6392 -6.6392 -6.5317 -6.5317 -5.3299 -5.3299 -4.6535 -4.6535 3.1794 3.1794 3.8730 3.8730 4.2242 4.2242 4.6957 4.6957 5.3201 5.3201 5.4999 5.4999 9.2947 9.2947 9.4354 9.4354 9.9681 9.9681 10.6882 10.6882 k = 0.1139-0.1937-0.3709 ( 3049 PWs) bands (ev): -35.6074 -35.6074 -23.1172 -23.1172 -16.5932 -16.5932 -15.1951 -15.1951 -15.1212 -15.1212 -6.8627 -6.8627 -6.6427 -6.6427 -6.5353 -6.5353 -5.3028 -5.3028 -4.6647 -4.6647 3.2161 3.2161 3.8540 3.8540 4.2184 4.2184 4.6247 4.6247 5.2762 5.2762 5.4888 5.4888 9.3077 9.3077 9.4396 9.4396 10.0314 10.0314 10.7370 10.7370 k = 0.1203-0.2045-0.3916 ( 3049 PWs) bands (ev): -35.6070 -35.6070 -23.1164 -23.1164 -16.5950 -16.5950 -15.1965 -15.1965 -15.1247 -15.1247 -6.8638 -6.8638 -6.6459 -6.6459 -6.5388 -6.5388 -5.2753 -5.2753 -4.6761 -4.6761 3.2534 3.2534 3.8362 3.8362 4.2058 4.2058 4.5620 4.5620 5.2311 5.2311 5.4758 5.4758 9.3221 9.3221 9.4431 9.4431 10.0975 10.0975 10.7775 10.7775 k = 0.1266-0.2153-0.4122 ( 3053 PWs) bands (ev): -35.6066 -35.6066 -23.1157 -23.1157 -16.5968 -16.5968 -15.1980 -15.1980 -15.1282 -15.1282 -6.8654 -6.8654 -6.6486 -6.6486 -6.5421 -6.5421 -5.2473 -5.2473 -4.6876 -4.6876 3.2908 3.2908 3.8195 3.8195 4.1843 4.1843 4.5103 4.5103 5.1850 5.1850 5.4610 5.4610 9.3378 9.3378 9.4459 9.4459 10.1661 10.1661 10.8095 10.8095 k = 0.1329-0.2260-0.4328 ( 3056 PWs) bands (ev): -35.6062 -35.6062 -23.1149 -23.1149 -16.5986 -16.5986 -15.1996 -15.1996 -15.1316 -15.1316 -6.8674 -6.8674 -6.6510 -6.6510 -6.5453 -6.5453 -5.2190 -5.2190 -4.6991 -4.6991 3.3277 3.3277 3.8041 3.8041 4.1527 4.1527 4.4712 4.4712 5.1384 5.1384 5.4443 5.4443 9.3548 9.3548 9.4482 9.4482 10.2370 10.2370 10.8335 10.8335 k = 0.1392-0.2368-0.4534 ( 3060 PWs) bands (ev): -35.6058 -35.6058 -23.1142 -23.1142 -16.6005 -16.6005 -15.2013 -15.2013 -15.1349 -15.1349 -6.8699 -6.8699 -6.6530 -6.6530 -6.5483 -6.5483 -5.1906 -5.1906 -4.7106 -4.7106 3.3634 3.3634 3.7901 3.7901 4.1126 4.1126 4.4439 4.4439 5.0914 5.0914 5.4258 5.4258 9.3728 9.3728 9.4501 9.4501 10.3101 10.3101 10.8500 10.8500 k = 0.1456-0.2476-0.4740 ( 3060 PWs) bands (ev): -35.6054 -35.6054 -23.1134 -23.1134 -16.6024 -16.6024 -15.2031 -15.2031 -15.1381 -15.1381 -6.8727 -6.8727 -6.6546 -6.6546 -6.5511 -6.5511 -5.1622 -5.1622 -4.7221 -4.7221 3.3970 3.3970 3.7774 3.7774 4.0677 4.0677 4.4256 4.4256 5.0443 5.0443 5.4055 5.4055 9.3918 9.3918 9.4519 9.4519 10.3851 10.3851 10.8601 10.8601 k = 0.1519-0.2583-0.4946 ( 3054 PWs) bands (ev): -35.6050 -35.6050 -23.1126 -23.1126 -16.6044 -16.6044 -15.2051 -15.2051 -15.1412 -15.1412 -6.8759 -6.8759 -6.6558 -6.6558 -6.5538 -6.5538 -5.1339 -5.1339 -4.7334 -4.7334 3.4270 3.4270 3.7661 3.7661 4.0226 4.0226 4.4131 4.4131 4.9974 4.9974 5.3837 5.3837 9.4111 9.4111 9.4543 9.4543 10.4617 10.4617 10.8647 10.8647 k = 0.1582-0.2691-0.5152 ( 3058 PWs) bands (ev): -35.6046 -35.6046 -23.1118 -23.1118 -16.6063 -16.6063 -15.2071 -15.2071 -15.1442 -15.1442 -6.8794 -6.8794 -6.6568 -6.6568 -6.5562 -6.5562 -5.1058 -5.1058 -4.7445 -4.7445 3.4514 3.4514 3.7562 3.7562 3.9817 3.9817 4.4039 4.4039 4.9508 4.9508 5.3603 5.3603 9.4288 9.4288 9.4593 9.4593 10.5395 10.5395 10.8648 10.8648 k = 0.1646-0.2798-0.5358 ( 3058 PWs) bands (ev): -35.6042 -35.6042 -23.1110 -23.1110 -16.6082 -16.6082 -15.2093 -15.2093 -15.1470 -15.1470 -6.8832 -6.8832 -6.6575 -6.6575 -6.5583 -6.5583 -5.0781 -5.0781 -4.7553 -4.7553 3.4679 3.4679 3.7478 3.7478 3.9490 3.9490 4.3962 4.3962 4.9048 4.9048 5.3356 5.3356 9.4404 9.4404 9.4714 9.4714 10.6183 10.6183 10.8611 10.8611 k = 0.1709-0.2906-0.5564 ( 3060 PWs) bands (ev): -35.6039 -35.6039 -23.1102 -23.1102 -16.6101 -16.6101 -15.2114 -15.2114 -15.1497 -15.1497 -6.8871 -6.8871 -6.6581 -6.6581 -6.5602 -6.5602 -5.0508 -5.0508 -4.7657 -4.7657 3.4741 3.4741 3.7407 3.7407 3.9278 3.9278 4.3887 4.3887 4.8596 4.8596 5.3097 5.3097 9.4453 9.4453 9.4914 9.4914 10.6975 10.6975 10.8546 10.8546 k = 0.1772-0.3014-0.5770 ( 3058 PWs) bands (ev): -35.6035 -35.6035 -23.1095 -23.1095 -16.6120 -16.6120 -15.2136 -15.2136 -15.1523 -15.1523 -6.8912 -6.8912 -6.6587 -6.6587 -6.5618 -6.5618 -5.0242 -5.0242 -4.7758 -4.7758 3.4689 3.4689 3.7351 3.7351 3.9200 3.9200 4.3808 4.3808 4.8154 4.8154 5.2827 5.2827 9.4477 9.4477 9.5150 9.5150 10.7765 10.7765 10.8457 10.8457 k = 0.1835-0.3121-0.5976 ( 3052 PWs) bands (ev): -35.6031 -35.6031 -23.1087 -23.1087 -16.6138 -16.6138 -15.2158 -15.2158 -15.1548 -15.1548 -6.8952 -6.8952 -6.6594 -6.6594 -6.5630 -6.5630 -4.9983 -4.9983 -4.7853 -4.7853 3.4530 3.4530 3.7310 3.7310 3.9250 3.9250 4.3719 4.3719 4.7725 4.7725 5.2547 5.2547 9.4496 9.4496 9.5404 9.5404 10.8343 10.8343 10.8555 10.8555 k = 0.1899-0.3229-0.6182 ( 3054 PWs) bands (ev): -35.6027 -35.6027 -23.1080 -23.1080 -16.6157 -16.6157 -15.2180 -15.2180 -15.1572 -15.1572 -6.8992 -6.8992 -6.6602 -6.6602 -6.5639 -6.5639 -4.9733 -4.9733 -4.7943 -4.7943 3.4292 3.4292 3.7281 3.7281 3.9403 3.9403 4.3617 4.3617 4.7311 4.7311 5.2259 5.2259 9.4516 9.4516 9.5671 9.5671 10.8225 10.8225 10.9320 10.9320 k = 0.1962-0.3337-0.6389 ( 3052 PWs) bands (ev): -35.6023 -35.6023 -23.1073 -23.1073 -16.6174 -16.6174 -15.2201 -15.2201 -15.1596 -15.1596 -6.9031 -6.9031 -6.6613 -6.6613 -6.5644 -6.5644 -4.9492 -4.9492 -4.8027 -4.8027 3.4007 3.4007 3.7264 3.7264 3.9629 3.9629 4.3501 4.3501 4.6913 4.6913 5.1965 5.1965 9.4539 9.4539 9.5947 9.5947 10.8094 10.8094 11.0065 11.0065 k = 0.2025-0.3444-0.6595 ( 3058 PWs) bands (ev): -35.6020 -35.6020 -23.1066 -23.1066 -16.6191 -16.6191 -15.2222 -15.2222 -15.1618 -15.1618 -6.9069 -6.9069 -6.6626 -6.6626 -6.5645 -6.5645 -4.9263 -4.9263 -4.8105 -4.8105 3.3701 3.3701 3.7258 3.7258 3.9898 3.9898 4.3372 4.3372 4.6535 4.6535 5.1665 5.1665 9.4566 9.4566 9.6231 9.6231 10.7956 10.7956 11.0774 11.0774 k = 0.2089-0.3552-0.6801 ( 3052 PWs) bands (ev): -35.6016 -35.6016 -23.1059 -23.1059 -16.6208 -16.6208 -15.2241 -15.2241 -15.1640 -15.1640 -6.9104 -6.9104 -6.6642 -6.6642 -6.5643 -6.5643 -4.9045 -4.9045 -4.8175 -4.8175 3.3396 3.3396 3.7261 3.7261 4.0187 4.0187 4.3230 4.3230 4.6177 4.6177 5.1361 5.1361 9.4599 9.4599 9.6522 9.6522 10.7814 10.7814 11.1437 11.1437 k = 0.2152-0.3660-0.7007 ( 3050 PWs) bands (ev): -35.6013 -35.6013 -23.1053 -23.1053 -16.6224 -16.6224 -15.2260 -15.2260 -15.1662 -15.1662 -6.9137 -6.9137 -6.6662 -6.6662 -6.5638 -6.5638 -4.8841 -4.8841 -4.8238 -4.8238 3.3106 3.3106 3.7271 3.7271 4.0474 4.0474 4.3083 4.3083 4.5843 4.5843 5.1054 5.1054 9.4637 9.4637 9.6818 9.6818 10.7671 10.7671 11.2041 11.2041 k = 0.2215-0.3767-0.7213 ( 3058 PWs) bands (ev): -35.6010 -35.6010 -23.1047 -23.1047 -16.6239 -16.6239 -15.2277 -15.2277 -15.1683 -15.1683 -6.9166 -6.9166 -6.6684 -6.6684 -6.5629 -6.5629 -4.8652 -4.8652 -4.8290 -4.8290 3.2839 3.2839 3.7286 3.7286 4.0738 4.0738 4.2942 4.2942 4.5535 4.5535 5.0745 5.0745 9.4680 9.4680 9.7118 9.7118 10.7528 10.7528 11.2574 11.2574 k = 0.2279-0.3875-0.7419 ( 3058 PWs) bands (ev): -35.6007 -35.6007 -23.1041 -23.1041 -16.6253 -16.6253 -15.2292 -15.2292 -15.1704 -15.1704 -6.9193 -6.9193 -6.6710 -6.6710 -6.5619 -6.5619 -4.8487 -4.8487 -4.8326 -4.8326 3.2603 3.2603 3.7306 3.7306 4.0947 4.0947 4.2832 4.2832 4.5254 4.5254 5.0435 5.0435 9.4729 9.4729 9.7422 9.7422 10.7386 10.7386 11.3027 11.3027 k = 0.2342-0.3982-0.7625 ( 3058 PWs) bands (ev): -35.6004 -35.6004 -23.1035 -23.1035 -16.6266 -16.6266 -15.2306 -15.2306 -15.1725 -15.1725 -6.9216 -6.9216 -6.6739 -6.6739 -6.5606 -6.5606 -4.8413 -4.8413 -4.8277 -4.8277 3.2404 3.2404 3.7328 3.7328 4.1061 4.1061 4.2786 4.2786 4.5004 4.5004 5.0125 5.0125 9.4782 9.4782 9.7727 9.7727 10.7244 10.7244 11.3396 11.3396 k = 0.2405-0.4090-0.7831 ( 3058 PWs) bands (ev): -35.6002 -35.6002 -23.1030 -23.1030 -16.6279 -16.6279 -15.2318 -15.2318 -15.1745 -15.1745 -6.9235 -6.9235 -6.6769 -6.6769 -6.5593 -6.5593 -4.8428 -4.8428 -4.8146 -4.8146 3.2243 3.2243 3.7349 3.7349 4.1046 4.1046 4.2835 4.2835 4.4786 4.4786 4.9817 4.9817 9.4839 9.4839 9.8034 9.8034 10.7099 10.7099 11.3683 11.3683 k = 0.2468-0.4198-0.8037 ( 3056 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6290 -16.6290 -15.2328 -15.2328 -15.1765 -15.1765 -6.9251 -6.9251 -6.6802 -6.6802 -6.5578 -6.5578 -4.8446 -4.8446 -4.8020 -4.8020 3.2124 3.2124 3.7369 3.7369 4.0904 4.0904 4.2973 4.2973 4.4603 4.4603 4.9510 4.9510 9.4899 9.4899 9.8342 9.8342 10.6945 10.6945 11.3898 11.3898 k = 0.2532-0.4305-0.8243 ( 3054 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6301 -16.6301 -15.2337 -15.2337 -15.1785 -15.1785 -6.9263 -6.9263 -6.6836 -6.6836 -6.5563 -6.5563 -4.8458 -4.8458 -4.7908 -4.7908 3.2048 3.2048 3.7385 3.7385 4.0669 4.0669 4.3167 4.3167 4.4455 4.4455 4.9207 4.9207 9.4964 9.4964 9.8648 9.8648 10.6778 10.6778 11.4054 11.4054 k = 0.2595-0.4413-0.8449 ( 3056 PWs) bands (ev): -35.5995 -35.5995 -23.1017 -23.1017 -16.6311 -16.6311 -15.2343 -15.2343 -15.1805 -15.1805 -6.9272 -6.9272 -6.6870 -6.6870 -6.5549 -6.5549 -4.8461 -4.8461 -4.7812 -4.7812 3.2017 3.2017 3.7396 3.7396 4.0370 4.0370 4.3385 4.3385 4.4345 4.4345 4.8908 4.8908 9.5031 9.5031 9.8953 9.8953 10.6586 10.6586 11.4171 11.4171 k = 0.2658-0.4521-0.8655 ( 3058 PWs) bands (ev): -35.5993 -35.5993 -23.1013 -23.1013 -16.6320 -16.6320 -15.2347 -15.2347 -15.1825 -15.1825 -6.9277 -6.9277 -6.6905 -6.6905 -6.5535 -6.5535 -4.8456 -4.8456 -4.7734 -4.7734 3.2032 3.2032 3.7400 3.7400 4.0025 4.0025 4.3607 4.3607 4.4274 4.4274 4.8613 4.8613 9.5102 9.5102 9.9256 9.9256 10.6362 10.6362 11.4271 11.4271 k = 0.2722-0.4628-0.8862 ( 3062 PWs) bands (ev): -35.5991 -35.5991 -23.1010 -23.1010 -16.6328 -16.6328 -15.2350 -15.2350 -15.1844 -15.1844 -6.9280 -6.9280 -6.6940 -6.6940 -6.5521 -6.5521 -4.8443 -4.8443 -4.7672 -4.7672 3.2093 3.2093 3.7397 3.7397 3.9646 3.9646 4.3823 4.3823 4.4240 4.4240 4.8323 4.8323 9.5174 9.5174 9.9556 9.9556 10.6098 10.6098 11.4376 11.4376 k = 0.2785-0.4736-0.9068 ( 3058 PWs) bands (ev): -35.5990 -35.5990 -23.1007 -23.1007 -16.6335 -16.6335 -15.2350 -15.2350 -15.1863 -15.1863 -6.9279 -6.9279 -6.6974 -6.6974 -6.5509 -6.5509 -4.8420 -4.8420 -4.7627 -4.7627 3.2200 3.2200 3.7387 3.7387 3.9241 3.9241 4.4023 4.4023 4.4247 4.4247 4.8040 4.8040 9.5249 9.5249 9.9852 9.9852 10.5786 10.5786 11.4505 11.4505 k = 0.2848-0.4843-0.9274 ( 3058 PWs) bands (ev): -35.5988 -35.5988 -23.1004 -23.1004 -16.6341 -16.6341 -15.2350 -15.2350 -15.1881 -15.1881 -6.9277 -6.9277 -6.7006 -6.7006 -6.5498 -6.5498 -4.8390 -4.8390 -4.7599 -4.7599 3.2352 3.2352 3.7371 3.7371 3.8813 3.8813 4.4197 4.4197 4.4298 4.4298 4.7763 4.7763 9.5323 9.5323 10.0144 10.0144 10.5425 10.5425 11.4673 11.4673 k = 0.2911-0.4951-0.9480 ( 3058 PWs) bands (ev): -35.5987 -35.5987 -23.1002 -23.1002 -16.6346 -16.6346 -15.2347 -15.2347 -15.1898 -15.1898 -6.9272 -6.9272 -6.7036 -6.7036 -6.5489 -6.5489 -4.8351 -4.8351 -4.7588 -4.7588 3.2550 3.2550 3.7348 3.7348 3.8367 3.8367 4.4322 4.4322 4.4412 4.4412 4.7495 4.7495 9.5393 9.5393 10.0431 10.0431 10.5020 10.5020 11.4891 11.4891 k = 0.2975-0.5059-0.9686 ( 3062 PWs) bands (ev): -35.5986 -35.5986 -23.1000 -23.1000 -16.6350 -16.6350 -15.2344 -15.2344 -15.1915 -15.1915 -6.9266 -6.9266 -6.7064 -6.7064 -6.5481 -6.5481 -4.8304 -4.8304 -4.7592 -4.7592 3.2793 3.2793 3.7321 3.7321 3.7906 3.7906 4.4434 4.4434 4.4550 4.4550 4.7236 4.7236 9.5455 9.5455 10.0712 10.0712 10.4578 10.4578 11.5164 11.5164 k = 0.3038-0.5166-0.9892 ( 3062 PWs) bands (ev): -35.5986 -35.5986 -23.0998 -23.0998 -16.6354 -16.6354 -15.2340 -15.2340 -15.1929 -15.1929 -6.9260 -6.9260 -6.7088 -6.7088 -6.5474 -6.5474 -4.8251 -4.8251 -4.7612 -4.7612 3.3079 3.3079 3.7285 3.7285 3.7440 3.7440 4.4563 4.4563 4.4674 4.4674 4.6987 4.6987 9.5502 9.5502 10.0987 10.0987 10.4115 10.4115 11.5491 11.5491 k = 0.3101-0.5274-1.0098 ( 3060 PWs) bands (ev): -35.5985 -35.5985 -23.0997 -23.0997 -16.6357 -16.6357 -15.2335 -15.2335 -15.1942 -15.1942 -6.9253 -6.9253 -6.7108 -6.7108 -6.5469 -6.5469 -4.8190 -4.8190 -4.7646 -4.7646 3.3407 3.3407 3.6942 3.6942 3.7270 3.7270 4.4711 4.4711 4.4780 4.4780 4.6753 4.6753 9.5523 9.5523 10.1254 10.1254 10.3650 10.3650 11.5870 11.5870 k = 0.3165-0.5382-1.0304 ( 3072 PWs) bands (ev): -35.5985 -35.5985 -23.0996 -23.0996 -16.6359 -16.6359 -15.2331 -15.2331 -15.1953 -15.1953 -6.9247 -6.9247 -6.7125 -6.7125 -6.5465 -6.5465 -4.8124 -4.8124 -4.7694 -4.7694 3.3773 3.3773 3.6457 3.6457 3.7239 3.7239 4.4857 4.4857 4.4880 4.4880 4.6536 4.6536 9.5503 9.5503 10.1510 10.1510 10.3210 10.3210 11.6296 11.6296 k = 0.3228-0.5489-1.0510 ( 3064 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6360 -16.6360 -15.2327 -15.2327 -15.1961 -15.1961 -6.9242 -6.9242 -6.7136 -6.7136 -6.5462 -6.5462 -4.8055 -4.8055 -4.7751 -4.7751 3.4172 3.4172 3.5970 3.5970 3.7212 3.7212 4.4929 4.4929 4.5033 4.5033 4.6348 4.6348 9.5425 9.5425 10.1747 10.1747 10.2827 10.2827 11.6764 11.6764 k = 0.3291-0.5597-1.0716 ( 3070 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6361 -16.6361 -15.2325 -15.2325 -15.1965 -15.1965 -6.9238 -6.9238 -6.7142 -6.7142 -6.5461 -6.5461 -4.7992 -4.7992 -4.7811 -4.7811 3.4578 3.4578 3.5511 3.5511 3.7190 3.7190 4.4976 4.4976 4.5167 4.5167 4.6211 4.6211 9.5270 9.5270 10.1936 10.1936 10.2558 10.2558 11.7265 11.7265 k = 0.3354-0.5705-1.0922 ( 3070 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6361 -16.6361 -15.2325 -15.2325 -15.1966 -15.1966 -6.9237 -6.9237 -6.7142 -6.7142 -6.5460 -6.5460 -4.7979 -4.7979 -4.7825 -4.7825 3.4739 3.4739 3.5332 3.5332 3.7173 3.7173 4.5005 4.5005 4.5233 4.5233 4.6165 4.6165 9.5022 9.5022 10.1992 10.1992 10.2509 10.2509 11.7794 11.7794 k = 0.3418-0.5812-1.1128 ( 3066 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6360 -16.6360 -15.2327 -15.2327 -15.1963 -15.1963 -6.9238 -6.9238 -6.7136 -6.7136 -6.5460 -6.5460 -4.8048 -4.8048 -4.7764 -4.7764 3.4355 3.4355 3.5731 3.5731 3.7163 3.7163 4.5017 4.5017 4.5202 4.5202 4.6237 4.6237 9.4673 9.4673 10.1951 10.1951 10.2658 10.2658 11.8344 11.8344 k = 0.6582-0.4451-1.0304 ( 3066 PWs) bands (ev): -35.5984 -35.5984 -23.0995 -23.0995 -16.6360 -16.6360 -15.2327 -15.2327 -15.1963 -15.1963 -6.9238 -6.9238 -6.7136 -6.7136 -6.5460 -6.5460 -4.8048 -4.8048 -4.7764 -4.7764 3.4355 3.4355 3.5731 3.5731 3.7163 3.7163 4.5017 4.5017 4.5202 4.5202 4.6237 4.6237 9.4673 9.4673 10.1951 10.1951 10.2658 10.2658 11.8344 11.8344 k = 0.6519-0.4219-1.0304 ( 3062 PWs) bands (ev): -35.5984 -35.5984 -23.0996 -23.0996 -16.6360 -16.6360 -15.2331 -15.2331 -15.1955 -15.1955 -6.9242 -6.9242 -6.7125 -6.7125 -6.5461 -6.5461 -4.8148 -4.8148 -4.7678 -4.7678 3.3876 3.3876 3.6258 3.6258 3.7161 3.7161 4.5007 4.5007 4.5105 4.5105 4.6400 4.6400 9.4223 9.4223 10.1956 10.1956 10.2865 10.2865 11.8907 11.8907 k = 0.6456-0.3986-1.0304 ( 3056 PWs) bands (ev): -35.5985 -35.5985 -23.0996 -23.0996 -16.6358 -16.6358 -15.2338 -15.2338 -15.1943 -15.1943 -6.9249 -6.9249 -6.7108 -6.7108 -6.5462 -6.5462 -4.8259 -4.8259 -4.7585 -4.7585 3.3387 3.3387 3.6823 3.6823 3.7170 3.7170 4.4926 4.4926 4.5033 4.5033 4.6613 4.6613 9.3685 9.3685 10.2045 10.2045 10.3083 10.3083 11.9451 11.9451 k = 0.6392-0.3754-1.0304 ( 3052 PWs) bands (ev): -35.5985 -35.5985 -23.0997 -23.0997 -16.6357 -16.6357 -15.2347 -15.2347 -15.1928 -15.1928 -6.9260 -6.9260 -6.7085 -6.7085 -6.5463 -6.5463 -4.8380 -4.8380 -4.7488 -4.7488 3.2899 3.2899 3.7163 3.7163 3.7443 3.7443 4.4780 4.4780 4.5004 4.5004 4.6850 4.6850 9.3075 9.3075 10.2213 10.2213 10.3302 10.3302 11.9460 11.9460 k = 0.6329-0.3521-1.0304 ( 3048 PWs) bands (ev): -35.5985 -35.5985 -23.0998 -23.0998 -16.6355 -16.6355 -15.2358 -15.2358 -15.1910 -15.1910 -6.9273 -6.9273 -6.7058 -6.7058 -6.5463 -6.5463 -4.8507 -4.8507 -4.7389 -4.7389 3.2418 3.2418 3.7190 3.7190 3.8058 3.8058 4.4626 4.4626 4.4977 4.4977 4.7098 4.7098 9.2408 9.2408 10.2449 10.2449 10.3520 10.3520 11.9198 11.9198 k = 0.6266-0.3289-1.0304 ( 3046 PWs) bands (ev): -35.5986 -35.5986 -23.0999 -23.0999 -16.6352 -16.6352 -15.2370 -15.2370 -15.1889 -15.1889 -6.9289 -6.9289 -6.7027 -6.7027 -6.5464 -6.5464 -4.8638 -4.8638 -4.7288 -4.7288 3.1945 3.1945 3.7220 3.7220 3.8695 3.8695 4.4474 4.4474 4.4950 4.4950 4.7350 4.7350 9.1700 9.1700 10.2737 10.2737 10.3737 10.3737 11.8940 11.8940 k = 0.6203-0.3056-1.0304 ( 3052 PWs) bands (ev): -35.5987 -35.5987 -23.1001 -23.1001 -16.6350 -16.6350 -15.2383 -15.2383 -15.1865 -15.1865 -6.9307 -6.9307 -6.6993 -6.6993 -6.5463 -6.5463 -4.8774 -4.8774 -4.7186 -4.7186 3.1483 3.1483 3.7256 3.7256 3.9342 3.9342 4.4326 4.4326 4.4926 4.4926 4.7601 4.7601 9.0964 9.0964 10.3063 10.3063 10.3955 10.3955 11.8700 11.8700 k = 0.6139-0.2824-1.0304 ( 3050 PWs) bands (ev): -35.5987 -35.5987 -23.1002 -23.1002 -16.6347 -16.6347 -15.2397 -15.2397 -15.1841 -15.1841 -6.9327 -6.9327 -6.6955 -6.6955 -6.5462 -6.5462 -4.8911 -4.8911 -4.7085 -4.7085 3.1035 3.1035 3.7300 3.7300 3.9989 3.9989 4.4186 4.4186 4.4913 4.4913 4.7849 4.7849 9.0210 9.0210 10.3416 10.3416 10.4176 10.4176 11.8482 11.8482 k = 0.6076-0.2591-1.0304 ( 3046 PWs) bands (ev): -35.5988 -35.5988 -23.1003 -23.1003 -16.6345 -16.6345 -15.2412 -15.2412 -15.1815 -15.1815 -6.9349 -6.9349 -6.6916 -6.6916 -6.5460 -6.5460 -4.9050 -4.9050 -4.6985 -4.6985 3.0601 3.0601 3.7350 3.7350 4.0624 4.0624 4.4054 4.4054 4.4920 4.4920 4.8091 4.8091 8.9447 8.9447 10.3781 10.3781 10.4407 10.4407 11.8286 11.8286 k = 0.6013-0.2359-1.0304 ( 3052 PWs) bands (ev): -35.5989 -35.5989 -23.1005 -23.1005 -16.6342 -16.6342 -15.2426 -15.2426 -15.1788 -15.1788 -6.9372 -6.9372 -6.6876 -6.6876 -6.5456 -6.5456 -4.9188 -4.9188 -4.6886 -4.6886 3.0183 3.0183 3.7405 3.7405 4.1229 4.1229 4.3930 4.3930 4.4963 4.4963 4.8324 4.8324 8.8682 8.8682 10.4144 10.4144 10.4655 10.4655 11.8113 11.8113 k = 0.5949-0.2126-1.0304 ( 3054 PWs) bands (ev): -35.5990 -35.5990 -23.1007 -23.1007 -16.6339 -16.6339 -15.2441 -15.2441 -15.1761 -15.1761 -6.9396 -6.9396 -6.6836 -6.6836 -6.5450 -6.5450 -4.9325 -4.9325 -4.6790 -4.6790 2.9783 2.9783 3.7466 3.7466 4.1779 4.1779 4.3816 4.3816 4.5062 4.5062 4.8547 4.8547 8.7921 8.7921 10.4487 10.4487 10.4933 10.4933 11.7957 11.7957 k = 0.5886-0.1894-1.0304 ( 3046 PWs) bands (ev): -35.5991 -35.5991 -23.1008 -23.1008 -16.6337 -16.6337 -15.2455 -15.2455 -15.1734 -15.1734 -6.9421 -6.9421 -6.6797 -6.6797 -6.5443 -6.5443 -4.9460 -4.9460 -4.6697 -4.6697 2.9402 2.9402 3.7531 3.7531 4.2243 4.2243 4.3713 4.3713 4.5245 4.5245 4.8759 4.8759 8.7169 8.7169 10.4800 10.4800 10.5248 10.5248 11.7815 11.7815 k = 0.5823-0.1661-1.0304 ( 3042 PWs) bands (ev): -35.5991 -35.5991 -23.1010 -23.1010 -16.6334 -16.6334 -15.2469 -15.2469 -15.1708 -15.1708 -6.9445 -6.9445 -6.6759 -6.6759 -6.5434 -6.5434 -4.9590 -4.9590 -4.6607 -4.6607 2.9041 2.9041 3.7599 3.7599 4.2592 4.2592 4.3621 4.3621 4.5534 4.5534 4.8958 4.8958 8.6430 8.6430 10.5090 10.5090 10.5589 10.5589 11.7676 11.7676 k = 0.5759-0.1429-1.0304 ( 3044 PWs) bands (ev): -35.5992 -35.5992 -23.1011 -23.1011 -16.6331 -16.6331 -15.2482 -15.2482 -15.1682 -15.1682 -6.9469 -6.9469 -6.6723 -6.6723 -6.5423 -6.5423 -4.9716 -4.9716 -4.6521 -4.6521 2.8703 2.8703 3.7668 3.7668 4.2821 4.2821 4.3541 4.3541 4.5932 4.5932 4.9144 4.9144 8.5710 8.5710 10.5373 10.5373 10.5936 10.5936 11.7527 11.7527 k = 0.5696-0.1196-1.0304 ( 3054 PWs) bands (ev): -35.5993 -35.5993 -23.1013 -23.1013 -16.6329 -16.6329 -15.2495 -15.2495 -15.1657 -15.1657 -6.9493 -6.9493 -6.6689 -6.6689 -6.5411 -6.5411 -4.9836 -4.9836 -4.6440 -4.6440 2.8387 2.8387 3.7739 3.7739 4.2947 4.2947 4.3475 4.3475 4.6412 4.6412 4.9317 4.9317 8.5014 8.5014 10.5662 10.5662 10.6275 10.6275 11.7351 11.7351 k = 0.5633-0.0964-1.0304 ( 3056 PWs) bands (ev): -35.5994 -35.5994 -23.1015 -23.1015 -16.6327 -16.6327 -15.2506 -15.2506 -15.1634 -15.1634 -6.9515 -6.9515 -6.6659 -6.6659 -6.5398 -6.5398 -4.9949 -4.9949 -4.6364 -4.6364 2.8095 2.8095 3.7808 3.7808 4.3001 4.3001 4.3421 4.3421 4.6938 4.6938 4.9478 4.9478 8.4347 8.4347 10.5964 10.5964 10.6598 10.6598 11.7124 11.7124 k = 0.5570-0.0731-1.0304 ( 3062 PWs) bands (ev): -35.5995 -35.5995 -23.1016 -23.1016 -16.6324 -16.6324 -15.2517 -15.2517 -15.1612 -15.1612 -6.9536 -6.9536 -6.6631 -6.6631 -6.5384 -6.5384 -5.0054 -5.0054 -4.6294 -4.6294 2.7827 2.7827 3.7875 3.7875 4.3010 4.3010 4.3377 4.3377 4.7477 4.7477 4.9627 4.9627 8.3714 8.3714 10.6283 10.6283 10.6898 10.6898 11.6826 11.6826 k = 0.5506-0.0499-1.0304 ( 3066 PWs) bands (ev): -35.5996 -35.5996 -23.1018 -23.1018 -16.6322 -16.6322 -15.2527 -15.2527 -15.1591 -15.1591 -6.9555 -6.9555 -6.6607 -6.6607 -6.5370 -6.5370 -5.0151 -5.0151 -4.6230 -4.6230 2.7586 2.7586 3.7939 3.7939 4.2995 4.2995 4.3341 4.3341 4.8003 4.8003 4.9768 4.9768 8.3122 8.3122 10.6616 10.6616 10.7175 10.7175 11.6441 11.6441 k = 0.5443-0.0266-1.0304 ( 3054 PWs) bands (ev): -35.5996 -35.5996 -23.1019 -23.1019 -16.6321 -16.6321 -15.2536 -15.2536 -15.1573 -15.1573 -6.9573 -6.9573 -6.6586 -6.6586 -6.5355 -6.5355 -5.0238 -5.0238 -4.6173 -4.6173 2.7371 2.7371 3.7999 3.7999 4.2968 4.2968 4.3310 4.3310 4.8492 4.8492 4.9906 4.9906 8.2576 8.2576 10.6957 10.6957 10.7435 10.7435 11.5972 11.5972 k = 0.5380-0.0034-1.0304 ( 3056 PWs) bands (ev): -35.5997 -35.5997 -23.1020 -23.1020 -16.6319 -16.6319 -15.2544 -15.2544 -15.1556 -15.1556 -6.9589 -6.9589 -6.6568 -6.6568 -6.5341 -6.5341 -5.0315 -5.0315 -4.6122 -4.6122 2.7184 2.7184 3.8053 3.8053 4.2938 4.2938 4.3283 4.3283 4.8922 4.8922 5.0049 5.0049 8.2084 8.2084 10.7280 10.7280 10.7703 10.7703 11.5438 11.5438 k = 0.5316 0.0199-1.0304 ( 3054 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6318 -16.6318 -15.2550 -15.2550 -15.1542 -15.1542 -6.9602 -6.9602 -6.6553 -6.6553 -6.5328 -6.5328 -5.0382 -5.0382 -4.6079 -4.6079 2.7024 2.7024 3.8101 3.8101 4.2908 4.2908 4.3259 4.3259 4.9268 4.9268 5.0208 5.0208 8.1651 8.1651 10.7539 10.7539 10.8019 10.8019 11.4866 11.4866 k = 0.5253 0.0431-1.0304 ( 3048 PWs) bands (ev): -35.5997 -35.5997 -23.1021 -23.1021 -16.6317 -16.6317 -15.2556 -15.2556 -15.1530 -15.1530 -6.9613 -6.9613 -6.6541 -6.6541 -6.5317 -6.5317 -5.0437 -5.0437 -4.6043 -4.6043 2.6892 2.6892 3.8141 3.8141 4.2882 4.2882 4.3239 4.3239 4.9518 4.9518 5.0388 5.0388 8.1286 8.1286 10.7718 10.7718 10.8392 10.8392 11.4285 11.4285 k = 0.5190 0.0664-1.0304 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1022 -23.1022 -16.6316 -16.6316 -15.2560 -15.2560 -15.1521 -15.1521 -6.9622 -6.9622 -6.6532 -6.6532 -6.5308 -6.5308 -5.0480 -5.0480 -4.6015 -4.6015 2.6790 2.6790 3.8173 3.8173 4.2861 4.2861 4.3223 4.3223 4.9678 4.9678 5.0571 5.0571 8.0994 8.0994 10.7838 10.7838 10.8786 10.8786 11.3729 11.3729 k = 0.5127 0.0896-1.0304 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1022 -23.1022 -16.6315 -16.6315 -15.2563 -15.2563 -15.1514 -15.1514 -6.9629 -6.9629 -6.6526 -6.6526 -6.5301 -6.5301 -5.0512 -5.0512 -4.5995 -4.5995 2.6716 2.6716 3.8197 3.8197 4.2845 4.2845 4.3212 4.3212 4.9773 4.9773 5.0727 5.0727 8.0781 8.0781 10.7917 10.7917 10.9156 10.9156 11.3242 11.3242 k = 0.5063 0.1129-1.0304 ( 3058 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6315 -16.6315 -15.2565 -15.2565 -15.1510 -15.1510 -6.9633 -6.9633 -6.6522 -6.6522 -6.5296 -6.5296 -5.0530 -5.0530 -4.5983 -4.5983 2.6672 2.6672 3.8211 3.8211 4.2835 4.2835 4.3205 4.3205 4.9823 4.9823 5.0829 5.0829 8.0651 8.0651 10.7961 10.7961 10.9436 10.9436 11.2890 11.2890 k = 0.5000 0.1361-1.0304 ( 3054 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6315 -16.6315 -15.2566 -15.2566 -15.1509 -15.1509 -6.9634 -6.9634 -6.6521 -6.6521 -6.5295 -6.5295 -5.0537 -5.0537 -4.5979 -4.5979 2.6657 2.6657 3.8215 3.8215 4.2832 4.2832 4.3202 4.3202 4.9838 4.9838 5.0865 5.0865 8.0608 8.0608 10.7976 10.7976 10.9545 10.9545 11.2757 11.2757 k = 0.5000 0.1361-1.0304 ( 3054 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6315 -16.6315 -15.2566 -15.2566 -15.1509 -15.1509 -6.9634 -6.9634 -6.6521 -6.6521 -6.5295 -6.5295 -5.0537 -5.0537 -4.5979 -4.5979 2.6657 2.6657 3.8215 3.8215 4.2832 4.2832 4.3202 4.3202 4.9838 4.9838 5.0865 5.0865 8.0608 8.0608 10.7976 10.7976 10.9545 10.9545 11.2757 11.2757 k = 0.5198 0.1415-1.0201 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6315 -16.6315 -15.2566 -15.2566 -15.1509 -15.1509 -6.9634 -6.9634 -6.6521 -6.6521 -6.5295 -6.5295 -5.0533 -5.0533 -4.5983 -4.5983 2.6666 2.6666 3.8208 3.8208 4.2834 4.2834 4.3204 4.3204 4.9832 4.9832 5.0862 5.0862 8.0621 8.0621 10.7971 10.7971 10.9544 10.9544 11.2742 11.2742 k = 0.5396 0.1469-1.0098 ( 3056 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9635 -6.9635 -6.6521 -6.6521 -6.5296 -6.5296 -5.0521 -5.0521 -4.5995 -4.5995 2.6693 2.6693 3.8185 3.8185 4.2838 4.2838 4.3208 4.3208 4.9814 4.9814 5.0851 5.0851 8.0660 8.0660 10.7958 10.7958 10.9540 10.9540 11.2698 11.2698 k = 0.5593 0.1523-0.9994 ( 3056 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9635 -6.9635 -6.6522 -6.6522 -6.5297 -6.5297 -5.0502 -5.0502 -4.6014 -4.6014 2.6738 2.6738 3.8147 3.8147 4.2845 4.2845 4.3216 4.3216 4.9783 4.9783 5.0834 5.0834 8.0725 8.0725 10.7936 10.7936 10.9533 10.9533 11.2628 11.2628 k = 0.5791 0.1577-0.9891 ( 3056 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1509 -15.1509 -6.9637 -6.9637 -6.6523 -6.6523 -6.5298 -6.5298 -5.0476 -5.0476 -4.6042 -4.6042 2.6801 2.6801 3.8095 3.8095 4.2854 4.2854 4.3226 4.3226 4.9741 4.9741 5.0811 5.0811 8.0815 8.0815 10.7906 10.7906 10.9524 10.9524 11.2532 11.2532 k = 0.5989 0.1630-0.9788 ( 3061 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6313 -16.6313 -15.2563 -15.2563 -15.1509 -15.1509 -6.9638 -6.9638 -6.6524 -6.6524 -6.5299 -6.5299 -5.0442 -5.0442 -4.6077 -4.6077 2.6880 2.6880 3.8029 3.8029 4.2865 4.2865 4.3239 4.3239 4.9687 4.9687 5.0782 5.0782 8.0929 8.0929 10.7869 10.7869 10.9512 10.9512 11.2413 11.2413 k = 0.6187 0.1684-0.9685 ( 3057 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6312 -16.6312 -15.2561 -15.2561 -15.1509 -15.1509 -6.9640 -6.9640 -6.6526 -6.6526 -6.5301 -6.5301 -5.0401 -5.0401 -4.6119 -4.6119 2.6976 2.6976 3.7951 3.7951 4.2878 4.2878 4.3255 4.3255 4.9622 4.9622 5.0749 5.0749 8.1067 8.1067 10.7826 10.7826 10.9498 10.9498 11.2274 11.2274 k = 0.6384 0.1738-0.9582 ( 3063 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6312 -16.6312 -15.2560 -15.2560 -15.1508 -15.1508 -6.9642 -6.9642 -6.6528 -6.6528 -6.5303 -6.5303 -5.0354 -5.0354 -4.6168 -4.6168 2.7087 2.7087 3.7862 3.7862 4.2892 4.2892 4.3272 4.3272 4.9547 4.9547 5.0712 5.0712 8.1226 8.1226 10.7778 10.7778 10.9481 10.9481 11.2115 11.2115 k = 0.6582 0.1792-0.9479 ( 3067 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6311 -16.6311 -15.2558 -15.2558 -15.1508 -15.1508 -6.9644 -6.9644 -6.6529 -6.6529 -6.5306 -6.5306 -5.0301 -5.0301 -4.6223 -4.6223 2.7212 2.7212 3.7763 3.7763 4.2907 4.2907 4.3292 4.3292 4.9463 4.9463 5.0672 5.0672 8.1406 8.1406 10.7726 10.7726 10.9462 10.9462 11.1938 11.1938 k = 0.6582 0.1792-0.9479 ( 3067 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6311 -16.6311 -15.2558 -15.2558 -15.1508 -15.1508 -6.9644 -6.9644 -6.6529 -6.6529 -6.5306 -6.5306 -5.0301 -5.0301 -4.6223 -4.6223 2.7212 2.7212 3.7763 3.7763 4.2907 4.2907 4.3292 4.3292 4.9463 4.9463 5.0672 5.0672 8.1406 8.1406 10.7726 10.7726 10.9462 10.9462 11.1938 11.1938 k = 0.6545 0.1782-0.9239 ( 3068 PWs) bands (ev): -35.6000 -35.6000 -23.1026 -23.1026 -16.6306 -16.6306 -15.2550 -15.2550 -15.1508 -15.1508 -6.9627 -6.9627 -6.6530 -6.6530 -6.5313 -6.5313 -5.0313 -5.0313 -4.6242 -4.6242 2.7315 2.7315 3.7651 3.7651 4.2891 4.2891 4.3279 4.3279 4.9625 4.9625 5.0733 5.0733 8.1365 8.1365 10.7448 10.7448 10.9316 10.9316 11.2123 11.2123 k = 0.6509 0.1772-0.9000 ( 3065 PWs) bands (ev): -35.6001 -35.6001 -23.1028 -23.1028 -16.6301 -16.6301 -15.2539 -15.2539 -15.1507 -15.1507 -6.9606 -6.9606 -6.6530 -6.6530 -6.5324 -6.5324 -5.0320 -5.0320 -4.6277 -4.6277 2.7459 2.7459 3.7523 3.7523 4.2883 4.2883 4.3272 4.3272 4.9786 4.9786 5.0802 5.0802 8.1351 8.1351 10.7124 10.7124 10.9134 10.9134 11.2317 11.2317 k = 0.6472 0.1762-0.8760 ( 3061 PWs) bands (ev): -35.6002 -35.6002 -23.1031 -23.1031 -16.6294 -16.6294 -15.2526 -15.2526 -15.1505 -15.1505 -6.9579 -6.9579 -6.6531 -6.6531 -6.5336 -6.5336 -5.0323 -5.0323 -4.6327 -4.6327 2.7642 2.7642 3.7381 3.7381 4.2879 4.2879 4.3269 4.3269 4.9945 4.9945 5.0879 5.0879 8.1365 8.1365 10.6771 10.6771 10.8918 10.8918 11.2491 11.2491 k = 0.6435 0.1752-0.8521 ( 3066 PWs) bands (ev): -35.6004 -35.6004 -23.1034 -23.1034 -16.6286 -16.6286 -15.2510 -15.2510 -15.1504 -15.1504 -6.9547 -6.9547 -6.6533 -6.6533 -6.5351 -6.5351 -5.0321 -5.0321 -4.6391 -4.6391 2.7862 2.7862 3.7230 3.7230 4.2879 4.2879 4.3270 4.3270 5.0098 5.0098 5.0969 5.0969 8.1405 8.1405 10.6398 10.6398 10.8670 10.8670 11.2619 11.2619 k = 0.6398 0.1742-0.8281 ( 3060 PWs) bands (ev): -35.6005 -35.6005 -23.1037 -23.1037 -16.6276 -16.6276 -15.2491 -15.2491 -15.1502 -15.1502 -6.9511 -6.9511 -6.6535 -6.6535 -6.5368 -6.5368 -5.0317 -5.0317 -4.6468 -4.6468 2.8118 2.8118 3.7074 3.7074 4.2879 4.2879 4.3274 4.3274 5.0245 5.0245 5.1073 5.1073 8.1472 8.1472 10.6015 10.6015 10.8392 10.8392 11.2680 11.2680 k = 0.6361 0.1732-0.8041 ( 3060 PWs) bands (ev): -35.6007 -35.6007 -23.1041 -23.1041 -16.6265 -16.6265 -15.2471 -15.2471 -15.1499 -15.1499 -6.9470 -6.9470 -6.6539 -6.6539 -6.5386 -6.5386 -5.0310 -5.0310 -4.6557 -4.6557 2.8406 2.8406 3.6916 3.6916 4.2879 4.2879 4.3280 4.3280 5.0383 5.0383 5.1195 5.1195 8.1566 8.1566 10.5626 10.5626 10.8088 10.8088 11.2656 11.2656 k = 0.6325 0.1722-0.7802 ( 3064 PWs) bands (ev): -35.6010 -35.6010 -23.1046 -23.1046 -16.6253 -16.6253 -15.2447 -15.2447 -15.1496 -15.1496 -6.9426 -6.9426 -6.6543 -6.6543 -6.5404 -6.5404 -5.0302 -5.0302 -4.6656 -4.6656 2.8723 2.8723 3.6761 3.6761 4.2877 4.2877 4.3287 4.3287 5.0512 5.0512 5.1336 5.1336 8.1687 8.1687 10.5238 10.5238 10.7757 10.7757 11.2535 11.2535 k = 0.6288 0.1712-0.7562 ( 3062 PWs) bands (ev): -35.6012 -35.6012 -23.1051 -23.1051 -16.6240 -16.6240 -15.2422 -15.2422 -15.1493 -15.1493 -6.9378 -6.9378 -6.6549 -6.6549 -6.5423 -6.5423 -5.0293 -5.0293 -4.6764 -4.6764 2.9066 2.9066 3.6612 3.6612 4.2873 4.2873 4.3294 4.3294 5.0632 5.0632 5.1494 5.1494 8.1835 8.1835 10.4853 10.4853 10.7404 10.7404 11.2317 11.2317 k = 0.6251 0.1702-0.7322 ( 3051 PWs) bands (ev): -35.6015 -35.6015 -23.1056 -23.1056 -16.6226 -16.6226 -15.2396 -15.2396 -15.1488 -15.1488 -6.9326 -6.9326 -6.6557 -6.6557 -6.5441 -6.5441 -5.0285 -5.0285 -4.6879 -4.6879 2.9431 2.9431 3.6470 3.6470 4.2870 4.2870 4.3303 4.3303 5.0745 5.0745 5.1667 5.1667 8.2008 8.2008 10.4475 10.4475 10.7028 10.7028 11.2008 11.2008 k = 0.6214 0.1692-0.7083 ( 3057 PWs) bands (ev): -35.6018 -35.6018 -23.1062 -23.1062 -16.6211 -16.6211 -15.2367 -15.2367 -15.1483 -15.1483 -6.9273 -6.9273 -6.6566 -6.6566 -6.5457 -6.5457 -5.0280 -5.0280 -4.6998 -4.6998 2.9813 2.9813 3.6338 3.6338 4.2868 4.2868 4.3312 4.3312 5.0855 5.0855 5.1850 5.1850 8.2207 8.2207 10.4106 10.4106 10.6632 10.6632 11.1622 11.1622 k = 0.6177 0.1682-0.6843 ( 3061 PWs) bands (ev): -35.6021 -35.6021 -23.1068 -23.1068 -16.6195 -16.6195 -15.2337 -15.2337 -15.1477 -15.1477 -6.9219 -6.9219 -6.6577 -6.6577 -6.5472 -6.5472 -5.0278 -5.0278 -4.7121 -4.7121 3.0209 3.0209 3.6218 3.6218 4.2873 4.2873 4.3320 4.3320 5.0966 5.0966 5.2040 5.2040 8.2431 8.2431 10.3748 10.3748 10.6217 10.6217 11.1173 11.1173 k = 0.6141 0.1672-0.6604 ( 3058 PWs) bands (ev): -35.6024 -35.6024 -23.1074 -23.1074 -16.6178 -16.6178 -15.2307 -15.2307 -15.1470 -15.1470 -6.9163 -6.9163 -6.6589 -6.6589 -6.5485 -6.5485 -5.0280 -5.0280 -4.7245 -4.7245 3.0612 3.0612 3.6110 3.6110 4.2889 4.2889 4.3327 4.3327 5.1079 5.1079 5.2230 5.2230 8.2679 8.2679 10.3403 10.3403 10.5785 10.5785 11.0679 11.0679 k = 0.6104 0.1662-0.6364 ( 3059 PWs) bands (ev): -35.6027 -35.6027 -23.1081 -23.1081 -16.6161 -16.6161 -15.2275 -15.2275 -15.1461 -15.1461 -6.9107 -6.9107 -6.6602 -6.6602 -6.5495 -6.5495 -5.0289 -5.0289 -4.7368 -4.7368 3.1018 3.1018 3.6014 3.6014 4.2921 4.2921 4.3335 4.3335 5.1197 5.1197 5.2417 5.2417 8.2951 8.2951 10.3074 10.3074 10.5336 10.5336 11.0154 11.0154 k = 0.6067 0.1652-0.6124 ( 3057 PWs) bands (ev): -35.6031 -35.6031 -23.1088 -23.1088 -16.6143 -16.6143 -15.2243 -15.2243 -15.1451 -15.1451 -6.9053 -6.9053 -6.6615 -6.6615 -6.5501 -6.5501 -5.0306 -5.0306 -4.7488 -4.7488 3.1420 3.1420 3.5931 3.5931 4.2975 4.2975 4.3344 4.3344 5.1321 5.1321 5.2596 5.2596 8.3245 8.3245 10.2760 10.2760 10.4872 10.4872 10.9612 10.9612 k = 0.6030 0.1642-0.5885 ( 3052 PWs) bands (ev): -35.6034 -35.6034 -23.1095 -23.1095 -16.6124 -16.6124 -15.2211 -15.2211 -15.1439 -15.1439 -6.9000 -6.9000 -6.6629 -6.6629 -6.5504 -6.5504 -5.0331 -5.0331 -4.7603 -4.7603 3.1814 3.1814 3.5858 3.5858 4.3049 4.3049 4.3361 4.3361 5.1454 5.1454 5.2762 5.2762 8.3561 8.3561 10.2464 10.2464 10.4394 10.4394 10.9064 10.9064 k = 0.5993 0.1632-0.5645 ( 3047 PWs) bands (ev): -35.6038 -35.6038 -23.1102 -23.1102 -16.6105 -16.6105 -15.2180 -15.2180 -15.1425 -15.1425 -6.8951 -6.8951 -6.6641 -6.6641 -6.5503 -6.5503 -5.0367 -5.0367 -4.7710 -4.7710 3.2195 3.2195 3.5794 3.5794 4.3129 4.3129 4.3412 4.3412 5.1595 5.1595 5.2911 5.2911 8.3898 8.3898 10.2187 10.2187 10.3903 10.3903 10.8520 10.8520 k = 0.5957 0.1622-0.5405 ( 3046 PWs) bands (ev): -35.6042 -35.6042 -23.1109 -23.1109 -16.6086 -16.6086 -15.2149 -15.2149 -15.1410 -15.1410 -6.8906 -6.8906 -6.6652 -6.6652 -6.5498 -6.5498 -5.0413 -5.0413 -4.7810 -4.7810 3.2558 3.2558 3.5737 3.5737 4.3176 4.3176 4.3540 4.3540 5.1746 5.1746 5.3040 5.3040 8.4254 8.4254 10.1928 10.1928 10.3401 10.3401 10.7989 10.7989 k = 0.5920 0.1612-0.5166 ( 3046 PWs) bands (ev): -35.6046 -35.6046 -23.1117 -23.1117 -16.6067 -16.6067 -15.2119 -15.2119 -15.1392 -15.1392 -6.8867 -6.8867 -6.6660 -6.6660 -6.5490 -6.5490 -5.0472 -5.0472 -4.7899 -4.7899 3.2900 3.2900 3.5685 3.5685 4.3182 4.3182 4.3758 4.3758 5.1906 5.1906 5.3144 5.3144 8.4629 8.4629 10.1688 10.1688 10.2890 10.2890 10.7477 10.7477 k = 0.5883 0.1602-0.4926 ( 3045 PWs) bands (ev): -35.6050 -35.6050 -23.1125 -23.1125 -16.6047 -16.6047 -15.2091 -15.2091 -15.1372 -15.1372 -6.8835 -6.8835 -6.6664 -6.6664 -6.5477 -6.5477 -5.0541 -5.0541 -4.7979 -4.7979 3.3219 3.3219 3.5637 3.5637 4.3166 4.3166 4.4053 4.4053 5.2073 5.2073 5.3221 5.3221 8.5020 8.5020 10.1464 10.1464 10.2375 10.2375 10.6990 10.6990 k = 0.5846 0.1592-0.4687 ( 3041 PWs) bands (ev): -35.6054 -35.6054 -23.1132 -23.1132 -16.6028 -16.6028 -15.2064 -15.2064 -15.1350 -15.1350 -6.8810 -6.8810 -6.6664 -6.6664 -6.5461 -6.5461 -5.0621 -5.0621 -4.8048 -4.8048 3.3512 3.3512 3.5594 3.5594 4.3137 4.3137 4.4416 4.4416 5.2247 5.2247 5.3271 5.3271 8.5426 8.5426 10.1248 10.1248 10.1862 10.1862 10.6535 10.6535 k = 0.5810 0.1582-0.4447 ( 3039 PWs) bands (ev): -35.6058 -35.6058 -23.1140 -23.1140 -16.6008 -16.6008 -15.2039 -15.2039 -15.1325 -15.1325 -6.8794 -6.8794 -6.6658 -6.6658 -6.5442 -6.5442 -5.0711 -5.0711 -4.8107 -4.8107 3.3776 3.3776 3.5560 3.5560 4.3099 4.3099 4.4843 4.4843 5.2422 5.2422 5.3294 5.3294 8.5844 8.5844 10.1007 10.1007 10.1383 10.1383 10.6119 10.6119 k = 0.5773 0.1571-0.4207 ( 3045 PWs) bands (ev): -35.6062 -35.6062 -23.1148 -23.1148 -16.5989 -16.5989 -15.2016 -15.2016 -15.1298 -15.1298 -6.8786 -6.8786 -6.6646 -6.6646 -6.5419 -6.5419 -5.0810 -5.0810 -4.8157 -4.8157 3.4002 3.4002 3.5546 3.5546 4.3054 4.3054 4.5329 4.5329 5.2587 5.2587 5.3299 5.3299 8.6274 8.6274 10.0635 10.0635 10.1045 10.1045 10.5748 10.5748 k = 0.5736 0.1561-0.3968 ( 3045 PWs) bands (ev): -35.6065 -35.6065 -23.1156 -23.1156 -16.5970 -16.5970 -15.1995 -15.1995 -15.1269 -15.1269 -6.8788 -6.8788 -6.6629 -6.6629 -6.5392 -6.5392 -5.0915 -5.0915 -4.8200 -4.8200 3.4176 3.4176 3.5571 3.5571 4.3003 4.3003 4.5868 4.5868 5.2714 5.2714 5.3311 5.3311 8.6712 8.6712 10.0140 10.0140 10.0833 10.0833 10.5432 10.5432 k = 0.5699 0.1551-0.3728 ( 3047 PWs) bands (ev): -35.6069 -35.6069 -23.1164 -23.1164 -16.5952 -16.5952 -15.1976 -15.1976 -15.1239 -15.1239 -6.8797 -6.8797 -6.6606 -6.6606 -6.5363 -6.5363 -5.1025 -5.1025 -4.8235 -4.8235 3.4284 3.4284 3.5654 3.5654 4.2947 4.2947 4.6452 4.6452 5.2754 5.2754 5.3379 5.3379 8.7155 8.7155 9.9614 9.9614 10.0649 10.0649 10.5181 10.5181 k = 0.5662 0.1541-0.3488 ( 3051 PWs) bands (ev): -35.6073 -35.6073 -23.1171 -23.1171 -16.5934 -16.5934 -15.1960 -15.1960 -15.1207 -15.1207 -6.8815 -6.8815 -6.6579 -6.6579 -6.5331 -6.5331 -5.1138 -5.1138 -4.8265 -4.8265 3.4319 3.4319 3.5807 3.5807 4.2886 4.2886 4.7074 4.7074 5.2683 5.2683 5.3523 5.3523 8.7602 8.7602 9.9083 9.9083 10.0460 10.0460 10.5007 10.5007 k = 0.5626 0.1531-0.3249 ( 3049 PWs) bands (ev): -35.6077 -35.6077 -23.1178 -23.1178 -16.5916 -16.5916 -15.1945 -15.1945 -15.1174 -15.1174 -6.8839 -6.8839 -6.6548 -6.6548 -6.5297 -6.5297 -5.1252 -5.1252 -4.8290 -4.8290 3.4294 3.4294 3.6022 3.6022 4.2823 4.2823 4.7725 4.7725 5.2530 5.2530 5.3715 5.3715 8.8049 8.8049 9.8554 9.8554 10.0251 10.0251 10.4920 10.4920 k = 0.5589 0.1521-0.3009 ( 3051 PWs) bands (ev): -35.6081 -35.6081 -23.1186 -23.1186 -16.5899 -16.5899 -15.1931 -15.1931 -15.1140 -15.1140 -6.8869 -6.8869 -6.6514 -6.6514 -6.5260 -6.5260 -5.1366 -5.1366 -4.8311 -4.8311 3.4226 3.4226 3.6286 3.6286 4.2757 4.2757 4.8396 4.8396 5.2322 5.2322 5.3930 5.3930 8.8494 8.8494 9.8031 9.8031 10.0012 10.0012 10.4929 10.4929 k = 0.5552 0.1511-0.2770 ( 3056 PWs) bands (ev): -35.6084 -35.6084 -23.1193 -23.1193 -16.5883 -16.5883 -15.1920 -15.1920 -15.1106 -15.1106 -6.8904 -6.8904 -6.6478 -6.6478 -6.5221 -6.5221 -5.1478 -5.1478 -4.8330 -4.8330 3.4133 3.4133 3.6587 3.6587 4.2690 4.2690 4.9075 4.9075 5.2073 5.2073 5.4154 5.4154 8.8935 8.8935 9.7519 9.7519 9.9739 9.9739 10.5036 10.5036 k = 0.5515 0.1501-0.2530 ( 3062 PWs) bands (ev): -35.6088 -35.6088 -23.1199 -23.1199 -16.5868 -16.5868 -15.1910 -15.1910 -15.1072 -15.1072 -6.8942 -6.8942 -6.6441 -6.6441 -6.5181 -6.5181 -5.1587 -5.1587 -4.8346 -4.8346 3.4025 3.4025 3.6917 3.6917 4.2623 4.2623 4.9744 4.9744 5.1800 5.1800 5.4383 5.4383 8.9368 8.9368 9.7020 9.7020 9.9433 9.9433 10.5242 10.5242 k = 0.5478 0.1491-0.2290 ( 3068 PWs) bands (ev): -35.6091 -35.6091 -23.1206 -23.1206 -16.5853 -16.5853 -15.1901 -15.1901 -15.1038 -15.1038 -6.8983 -6.8983 -6.6404 -6.6404 -6.5140 -6.5140 -5.1692 -5.1692 -4.8361 -4.8361 3.3910 3.3910 3.7271 3.7271 4.2556 4.2556 5.0348 5.0348 5.1555 5.1555 5.4612 5.4612 8.9792 8.9792 9.6538 9.6538 9.9098 9.9098 10.5540 10.5540 k = 0.5442 0.1481-0.2051 ( 3076 PWs) bands (ev): -35.6094 -35.6094 -23.1212 -23.1212 -16.5839 -16.5839 -15.1894 -15.1894 -15.1006 -15.1006 -6.9025 -6.9025 -6.6369 -6.6369 -6.5098 -6.5098 -5.1792 -5.1792 -4.8374 -4.8374 3.3792 3.3792 3.7646 3.7646 4.2490 4.2490 5.0635 5.0635 5.1584 5.1584 5.4839 5.4839 9.0205 9.0205 9.6076 9.6076 9.8742 9.8742 10.5923 10.5923 k = 0.5405 0.1471-0.1811 ( 3074 PWs) bands (ev): -35.6097 -35.6097 -23.1217 -23.1217 -16.5826 -16.5826 -15.1887 -15.1887 -15.0975 -15.0975 -6.9067 -6.9067 -6.6334 -6.6334 -6.5056 -6.5056 -5.1887 -5.1887 -4.8387 -4.8387 3.3676 3.3676 3.8040 3.8040 4.2427 4.2427 5.0427 5.0427 5.2065 5.2065 5.5061 5.5061 9.0604 9.0604 9.5636 9.5636 9.8373 9.8373 10.6380 10.6380 k = 0.5368 0.1461-0.1572 ( 3080 PWs) bands (ev): -35.6100 -35.6100 -23.1223 -23.1223 -16.5814 -16.5814 -15.1881 -15.1881 -15.0945 -15.0945 -6.9109 -6.9109 -6.6302 -6.6302 -6.5015 -6.5015 -5.1975 -5.1975 -4.8398 -4.8398 3.3563 3.3563 3.8450 3.8450 4.2366 4.2366 5.0050 5.0050 5.2664 5.2664 5.5276 5.5276 9.0986 9.0986 9.5222 9.5222 9.8000 9.8000 10.6900 10.6900 k = 0.5331 0.1451-0.1332 ( 3070 PWs) bands (ev): -35.6102 -35.6102 -23.1227 -23.1227 -16.5803 -16.5803 -15.1876 -15.1876 -15.0917 -15.0917 -6.9149 -6.9149 -6.6272 -6.6272 -6.4976 -6.4976 -5.2055 -5.2055 -4.8409 -4.8409 3.3457 3.3457 3.8875 3.8875 4.2309 4.2309 4.9622 4.9622 5.3262 5.3262 5.5482 5.5482 9.1350 9.1350 9.4837 9.4837 9.7632 9.7632 10.7465 10.7465 k = 0.5294 0.1441-0.1092 ( 3070 PWs) bands (ev): -35.6104 -35.6104 -23.1232 -23.1232 -16.5794 -16.5794 -15.1872 -15.1872 -15.0891 -15.0891 -6.9187 -6.9187 -6.6245 -6.6245 -6.4938 -6.4938 -5.2129 -5.2129 -4.8419 -4.8419 3.3358 3.3358 3.9309 3.9309 4.2257 4.2257 4.9168 4.9168 5.3830 5.3830 5.5678 5.5678 9.1690 9.1690 9.4484 9.4484 9.7278 9.7278 10.8042 10.8042 k = 0.5258 0.1431-0.0853 ( 3071 PWs) bands (ev): -35.6106 -35.6106 -23.1235 -23.1235 -16.5785 -16.5785 -15.1869 -15.1869 -15.0868 -15.0868 -6.9222 -6.9222 -6.6221 -6.6221 -6.4903 -6.4903 -5.2194 -5.2194 -4.8428 -4.8428 3.3268 3.3268 3.9750 3.9750 4.2210 4.2210 4.8700 4.8700 5.4352 5.4352 5.5864 5.5864 9.2003 9.2003 9.4164 9.4164 9.6947 9.6947 10.8544 10.8544 k = 0.5221 0.1421-0.0613 ( 3068 PWs) bands (ev): -35.6108 -35.6108 -23.1239 -23.1239 -16.5777 -16.5777 -15.1866 -15.1866 -15.0847 -15.0847 -6.9253 -6.9253 -6.6200 -6.6200 -6.4871 -6.4871 -5.2252 -5.2252 -4.8436 -4.8436 3.3188 3.3188 4.0191 4.0191 4.2169 4.2169 4.8229 4.8229 5.4816 5.4816 5.6039 5.6039 9.2283 9.2283 9.3882 9.3882 9.6650 9.6650 10.8735 10.8735 k = 0.5184 0.1411-0.0373 ( 3066 PWs) bands (ev): -35.6109 -35.6109 -23.1242 -23.1242 -16.5771 -16.5771 -15.1863 -15.1863 -15.0830 -15.0830 -6.9280 -6.9280 -6.6182 -6.6182 -6.4844 -6.4844 -5.2300 -5.2300 -4.8443 -4.8443 3.3119 3.3119 4.0624 4.0624 4.2135 4.2135 4.7765 4.7765 5.5210 5.5210 5.6204 5.6204 9.2526 9.2526 9.3638 9.3638 9.6393 9.6393 10.8524 10.8524 k = 0.5147 0.1401-0.0134 ( 3064 PWs) bands (ev): -35.6110 -35.6110 -23.1244 -23.1244 -16.5765 -16.5765 -15.1862 -15.1862 -15.0815 -15.0815 -6.9303 -6.9303 -6.6167 -6.6167 -6.4820 -6.4820 -5.2341 -5.2341 -4.8449 -4.8449 3.3062 3.3062 4.1033 4.1033 4.2111 4.2111 4.7323 4.7323 5.5525 5.5525 5.6361 5.6361 9.2725 9.2725 9.3436 9.3436 9.6183 9.6183 10.8186 10.8186 k = 0.5110 0.1391 0.0106 ( 3062 PWs) bands (ev): -35.6111 -35.6111 -23.1246 -23.1246 -16.5761 -16.5761 -15.1860 -15.1860 -15.0803 -15.0803 -6.9322 -6.9322 -6.6156 -6.6156 -6.4801 -6.4801 -5.2372 -5.2372 -4.8454 -4.8454 3.3017 3.3017 4.1398 4.1398 4.2101 4.2101 4.6923 4.6923 5.5757 5.5757 5.6504 5.6504 9.2879 9.2879 9.3277 9.3277 9.6023 9.6023 10.7871 10.7871 k = 0.5074 0.1381 0.0345 ( 3066 PWs) bands (ev): -35.6112 -35.6112 -23.1247 -23.1247 -16.5758 -16.5758 -15.1859 -15.1859 -15.0795 -15.0795 -6.9335 -6.9335 -6.6148 -6.6148 -6.4788 -6.4788 -5.2395 -5.2395 -4.8457 -4.8457 3.2984 3.2984 4.1679 4.1679 4.2116 4.2116 4.6593 4.6593 5.5911 5.5911 5.6623 5.6623 9.2986 9.2986 9.3162 9.3162 9.5913 9.5913 10.7627 10.7627 k = 0.5037 0.1371 0.0585 ( 3074 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1859 -15.1859 -15.0790 -15.0790 -6.9343 -6.9343 -6.6143 -6.6143 -6.4779 -6.4779 -5.2408 -5.2408 -4.8459 -4.8459 3.2965 3.2965 4.1833 4.1833 4.2165 4.2165 4.6370 4.6370 5.5997 5.5997 5.6703 5.6703 9.3049 9.3049 9.3093 9.3093 9.5849 9.5849 10.7475 10.7475 k = 0.5000 0.1361 0.0825 ( 3070 PWs) bands (ev): -35.6113 -35.6113 -23.1248 -23.1248 -16.5756 -16.5756 -15.1858 -15.1858 -15.0788 -15.0788 -6.9346 -6.9346 -6.6141 -6.6141 -6.4777 -6.4777 -5.2413 -5.2413 -4.8460 -4.8460 3.2958 3.2958 4.1873 4.1873 4.2198 4.2198 4.6290 4.6290 5.6025 5.6025 5.6731 5.6731 9.3065 9.3065 9.3074 9.3074 9.5829 9.5829 10.7423 10.7423 k = 0.5000-0.8503-0.5152 ( 3050 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9740 -6.9740 -6.6558 -6.6558 -6.5309 -6.5309 -4.8919 -4.8919 -4.7520 -4.7520 2.8888 2.8888 3.6885 3.6885 4.3455 4.3455 4.3840 4.3840 4.6617 4.6617 4.9798 4.9798 8.4891 8.4891 10.7435 10.7435 10.8368 10.8368 10.9916 10.9916 k = 0.5211-0.8412-0.5097 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9740 -6.9740 -6.6557 -6.6557 -6.5309 -6.5309 -4.8937 -4.8937 -4.7502 -4.7502 2.8875 2.8875 3.6892 3.6892 4.3449 4.3449 4.3834 4.3834 4.6641 4.6641 4.9804 4.9804 8.4864 8.4864 10.7471 10.7471 10.8364 10.8364 10.9914 10.9914 k = 0.5422-0.8321-0.5042 ( 3052 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2565 -15.2565 -15.1509 -15.1509 -6.9738 -6.9738 -6.6557 -6.6557 -6.5309 -6.5309 -4.8989 -4.8989 -4.7452 -4.7452 2.8835 2.8835 3.6912 3.6912 4.3431 4.3431 4.3819 4.3819 4.6710 4.6710 4.9822 4.9822 8.4783 8.4783 10.7579 10.7579 10.8354 10.8354 10.9905 10.9905 k = 0.5633-0.8231-0.4987 ( 3056 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1508 -15.1508 -6.9735 -6.9735 -6.6556 -6.6556 -6.5309 -6.5309 -4.9068 -4.9068 -4.7376 -4.7376 2.8770 2.8770 3.6946 3.6946 4.3402 4.3402 4.3796 4.3796 4.6823 4.6823 4.9851 4.9851 8.4653 8.4653 10.7752 10.7752 10.8338 10.8338 10.9891 10.9891 k = 0.5844-0.8140-0.4932 ( 3059 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1508 -15.1508 -6.9731 -6.9731 -6.6555 -6.6555 -6.5309 -6.5309 -4.9165 -4.9165 -4.7282 -4.7282 2.8682 2.8682 3.6990 3.6990 4.3364 4.3364 4.3764 4.3764 4.6974 4.6974 4.9891 4.9891 8.4476 8.4476 10.7983 10.7983 10.8320 10.8320 10.9871 10.9871 k = 0.6055-0.8049-0.4877 ( 3057 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1508 -15.1508 -6.9726 -6.9726 -6.6553 -6.6553 -6.5308 -6.5308 -4.9274 -4.9274 -4.7177 -4.7177 2.8574 2.8574 3.7045 3.7045 4.3321 4.3321 4.3726 4.3726 4.7158 4.7158 4.9941 4.9941 8.4259 8.4259 10.8208 10.8208 10.8355 10.8355 10.9847 10.9847 k = 0.6266-0.7958-0.4822 ( 3054 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6314 -16.6314 -15.2564 -15.2564 -15.1508 -15.1508 -6.9720 -6.9720 -6.6551 -6.6551 -6.5308 -6.5308 -4.9390 -4.9390 -4.7066 -4.7066 2.8451 2.8451 3.7107 3.7107 4.3274 4.3274 4.3684 4.3684 4.7368 4.7368 4.9999 4.9999 8.4009 8.4009 10.8221 10.8221 10.8640 10.8640 10.9818 10.9818 k = 0.6477-0.7868-0.4767 ( 3049 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6313 -16.6313 -15.2563 -15.2563 -15.1508 -15.1508 -6.9713 -6.9713 -6.6549 -6.6549 -6.5307 -6.5307 -4.9508 -4.9508 -4.6953 -4.6953 2.8315 2.8315 3.7176 3.7176 4.3225 4.3225 4.3638 4.3638 4.7598 4.7598 5.0063 5.0063 8.3731 8.3731 10.8183 10.8183 10.9003 10.9003 10.9786 10.9786 k = 0.6688-0.7777-0.4712 ( 3051 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6313 -16.6313 -15.2563 -15.2563 -15.1508 -15.1508 -6.9705 -6.9705 -6.6547 -6.6547 -6.5307 -6.5307 -4.9626 -4.9626 -4.6842 -4.6842 2.8170 2.8170 3.7249 3.7249 4.3176 4.3176 4.3590 4.3590 4.7844 4.7844 5.0134 5.0134 8.3435 8.3435 10.8136 10.8136 10.9390 10.9390 10.9752 10.9752 k = 0.6899-0.7686-0.4657 ( 3055 PWs) bands (ev): -35.5998 -35.5998 -23.1023 -23.1023 -16.6313 -16.6313 -15.2562 -15.2562 -15.1508 -15.1508 -6.9697 -6.9697 -6.6544 -6.6544 -6.5306 -6.5306 -4.9742 -4.9742 -4.6733 -4.6733 2.8021 2.8021 3.7324 3.7324 4.3128 4.3128 4.3542 4.3542 4.8097 4.8097 5.0208 5.0208 8.3127 8.3127 10.8084 10.8084 10.9693 10.9693 10.9813 10.9813 k = 0.7110-0.7596-0.4602 ( 3057 PWs) bands (ev): -35.5998 -35.5998 -23.1024 -23.1024 -16.6313 -16.6313 -15.2562 -15.2562 -15.1508 -15.1508 -6.9688 -6.9688 -6.6542 -6.6542 -6.5306 -6.5306 -4.9853 -4.9853 -4.6629 -4.6629 2.7871 2.7871 3.7401 3.7401 4.3082 4.3082 4.3493 4.3493 4.8353 4.8353 5.0286 5.0286 8.2813 8.2813 10.8027 10.8027 10.9664 10.9664 11.0204 11.0204 k = 0.7321-0.7505-0.4547 ( 3056 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6312 -16.6312 -15.2561 -15.2561 -15.1508 -15.1508 -6.9679 -6.9679 -6.6539 -6.6539 -6.5306 -6.5306 -4.9958 -4.9958 -4.6532 -4.6532 2.7723 2.7723 3.7478 3.7478 4.3039 4.3039 4.3446 4.3446 4.8605 4.8605 5.0365 5.0365 8.2503 8.2503 10.7968 10.7968 10.9623 10.9623 11.0597 11.0597 k = 0.7532-0.7414-0.4492 ( 3060 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6312 -16.6312 -15.2561 -15.2561 -15.1508 -15.1508 -6.9670 -6.9670 -6.6537 -6.6537 -6.5305 -6.5305 -5.0057 -5.0057 -4.6442 -4.6442 2.7581 2.7581 3.7554 3.7554 4.3000 4.3000 4.3402 4.3402 4.8847 4.8847 5.0444 5.0444 8.2200 8.2200 10.7907 10.7907 10.9582 10.9582 11.0973 11.0973 k = 0.7743-0.7323-0.4437 ( 3057 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6311 -16.6311 -15.2560 -15.2560 -15.1508 -15.1508 -6.9661 -6.9661 -6.6534 -6.6534 -6.5305 -6.5305 -5.0147 -5.0147 -4.6360 -4.6360 2.7446 2.7446 3.7627 3.7627 4.2965 4.2965 4.3361 4.3361 4.9075 4.9075 5.0523 5.0523 8.1913 8.1913 10.7846 10.7846 10.9540 10.9540 11.1325 11.1325 k = 0.7954-0.7233-0.4382 ( 3061 PWs) bands (ev): -35.5999 -35.5999 -23.1024 -23.1024 -16.6311 -16.6311 -15.2559 -15.2559 -15.1508 -15.1508 -6.9652 -6.9652 -6.6532 -6.6532 -6.5305 -6.5305 -5.0229 -5.0229 -4.6287 -4.6287 2.7323 2.7323 3.7697 3.7697 4.2933 4.2933 4.3324 4.3324 4.9282 4.9282 5.0599 5.0599 8.1646 8.1646 10.7785 10.7785 10.9500 10.9500 11.1647 11.1647 k = 0.8164-0.7142-0.4327 ( 3067 PWs) bands (ev): -35.5999 -35.5999 -23.1025 -23.1025 -16.6311 -16.6311 -15.2558 -15.2558 -15.1508 -15.1508 -6.9644 -6.9644 -6.6529 -6.6529 -6.5306 -6.5306 -5.0301 -5.0301 -4.6223 -4.6223 2.7212 2.7212 3.7763 3.7763 4.2907 4.2907 4.3292 4.3292 4.9463 4.9463 5.0672 5.0672 8.1406 8.1406 10.7726 10.7726 10.9462 10.9462 11.1938 11.1938 Writing output data file KYS2.save init_run : 0.46s CPU 0.60s WALL ( 1 calls) electrons : 140.96s CPU 142.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.05s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 140.95s CPU 142.60s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 301 calls) cegterg : 124.83s CPU 126.07s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 97.28s CPU 98.32s WALL ( 6369 calls) s_psi : 3.35s CPU 3.29s WALL ( 6369 calls) g_psi : 0.12s CPU 0.12s WALL ( 5677 calls) cdiaghg : 30.41s CPU 30.84s WALL ( 5978 calls) cegterg:over : 2.54s CPU 2.64s WALL ( 5677 calls) cegterg:upda : 2.41s CPU 2.31s WALL ( 5677 calls) cegterg:last : 1.14s CPU 1.14s WALL ( 993 calls) cdiaghg:chol : 1.81s CPU 1.74s WALL ( 5978 calls) cdiaghg:inve : 0.98s CPU 0.97s WALL ( 5978 calls) cdiaghg:para : 1.59s CPU 1.77s WALL ( 11956 calls) Called by h_psi: h_psi:vloc : 90.08s CPU 91.23s WALL ( 6369 calls) h_psi:vnl : 7.12s CPU 7.00s WALL ( 6369 calls) add_vuspsi : 3.84s CPU 3.78s WALL ( 6369 calls) General routines calbec : 3.26s CPU 3.20s WALL ( 6369 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.54s CPU 83.35s WALL ( 529316 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 602 calls) Parallel routines fft_scatter : 20.62s CPU 20.75s WALL ( 529339 calls) PWSCF : 2m32.72s CPU 2m47.99s WALL This run was terminated on: 19:46:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=