Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 12:24:29 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CrGeTe3.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 61 16 2476 2476 345 Max 62 62 17 2480 2480 349 Sum 4393 4393 1185 178459 178459 24957 bravais-lattice index = 14 lattice parameter (alat) = 14.8669 a.u. unit-cell volume = 1846.4447 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.866919 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.625465 celldm(5)= 0.625465 celldm(6)= 0.625465 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.625465 0.780252 0.000000 ) a(3) = ( 0.625465 0.300234 0.720176 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.801619 -0.534302 ) b(2) = ( 0.000000 1.281637 -0.534302 ) b(3) = ( 0.000000 0.000000 1.388550 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Cr 14.00 51.99610 Cr( 1.00) Ge 4.00 72.64000 Ge( 1.00) Te 6.00 127.60000 Te( 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= 203 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 2) = ( 0.0178571 -0.0143146 -0.0095411), wk = 0.0049261 k( 3) = ( 0.0357143 -0.0286293 -0.0190822), wk = 0.0049261 k( 4) = ( 0.0535714 -0.0429439 -0.0286233), wk = 0.0049261 k( 5) = ( 0.0714286 -0.0572585 -0.0381644), wk = 0.0049261 k( 6) = ( 0.0892857 -0.0715731 -0.0477056), wk = 0.0049261 k( 7) = ( 0.1071429 -0.0858877 -0.0572467), wk = 0.0049261 k( 8) = ( 0.1250000 -0.1002024 -0.0667878), wk = 0.0049261 k( 9) = ( 0.1428571 -0.1145170 -0.0763289), wk = 0.0049261 k( 10) = ( 0.1607143 -0.1288316 -0.0858700), wk = 0.0049261 k( 11) = ( 0.1785714 -0.1431462 -0.0954111), wk = 0.0049261 k( 12) = ( 0.1964286 -0.1574609 -0.1049522), wk = 0.0049261 k( 13) = ( 0.2142857 -0.1717755 -0.1144933), wk = 0.0049261 k( 14) = ( 0.2321429 -0.1860901 -0.1240344), wk = 0.0049261 k( 15) = ( 0.2500000 -0.2004047 -0.1335756), wk = 0.0049261 k( 16) = ( 0.2678571 -0.2147194 -0.1431167), wk = 0.0049261 k( 17) = ( 0.2857143 -0.2290340 -0.1526578), wk = 0.0049261 k( 18) = ( 0.3035714 -0.2433486 -0.1621989), wk = 0.0049261 k( 19) = ( 0.3214286 -0.2576632 -0.1717400), wk = 0.0049261 k( 20) = ( 0.3392857 -0.2719779 -0.1812811), wk = 0.0049261 k( 21) = ( 0.3571429 -0.2862925 -0.1908222), wk = 0.0049261 k( 22) = ( 0.3750000 -0.3006071 -0.2003633), wk = 0.0049261 k( 23) = ( 0.3928571 -0.3149217 -0.2099044), wk = 0.0049261 k( 24) = ( 0.4107143 -0.3292364 -0.2194456), wk = 0.0049261 k( 25) = ( 0.4285714 -0.3435510 -0.2289867), wk = 0.0049261 k( 26) = ( 0.4464286 -0.3578656 -0.2385278), wk = 0.0049261 k( 27) = ( 0.4642857 -0.3721802 -0.2480689), wk = 0.0049261 k( 28) = ( 0.4821429 -0.3864949 -0.2576100), wk = 0.0049261 k( 29) = ( 0.5000000 -0.4008095 -0.2671511), wk = 0.0049261 k( 30) = ( 0.5000000 -0.4008095 -0.2671511), wk = 0.0049261 k( 31) = ( 0.5000000 -0.3872528 -0.2874904), wk = 0.0049261 k( 32) = ( 0.5000000 -0.3736961 -0.3078296), wk = 0.0049261 k( 33) = ( 0.5000000 -0.3601394 -0.3281688), wk = 0.0049261 k( 34) = ( 0.5000000 -0.3465827 -0.3485081), wk = 0.0049261 k( 35) = ( 0.5000000 -0.3330260 -0.3688473), wk = 0.0049261 k( 36) = ( 0.5000000 -0.3194693 -0.3891866), wk = 0.0049261 k( 37) = ( 0.5000000 -0.3059126 -0.4095258), wk = 0.0049261 k( 38) = ( 0.5000000 -0.2923560 -0.4298650), wk = 0.0049261 k( 39) = ( 0.5000000 -0.2787993 -0.4502043), wk = 0.0049261 k( 40) = ( 0.5000000 -0.2652426 -0.4705435), wk = 0.0049261 k( 41) = ( 0.5000000 -0.2516859 -0.4908827), wk = 0.0049261 k( 42) = ( 0.5000000 -0.2381292 -0.5112220), wk = 0.0049261 k( 43) = ( 0.5000000 -0.2245725 -0.5315612), wk = 0.0049261 k( 44) = ( 0.5000000 -0.2110158 -0.5519005), wk = 0.0049261 k( 45) = ( 0.5000000 -0.1974591 -0.5722397), wk = 0.0049261 k( 46) = ( 0.5000000 -0.1839024 -0.5925789), wk = 0.0049261 k( 47) = ( 0.5000000 -0.1703457 -0.6129182), wk = 0.0049261 k( 48) = ( 0.5000000 -0.1567890 -0.6332574), wk = 0.0049261 k( 49) = ( 0.5000000 -0.1432324 -0.6535967), wk = 0.0049261 k( 50) = ( 0.5000000 -0.1296757 -0.6739359), wk = 0.0049261 k( 51) = ( 0.5000000 -0.1161190 -0.6942751), wk = 0.0049261 k( 52) = ( 0.7778696 0.0172634 -0.3743293), wk = 0.0049261 k( 53) = ( 0.7671823 0.0258305 -0.3537793), wk = 0.0049261 k( 54) = ( 0.7564950 0.0343977 -0.3332292), wk = 0.0049261 k( 55) = ( 0.7458077 0.0429648 -0.3126791), wk = 0.0049261 k( 56) = ( 0.7351204 0.0515319 -0.2921290), wk = 0.0049261 k( 57) = ( 0.7244331 0.0600991 -0.2715789), wk = 0.0049261 k( 58) = ( 0.7137458 0.0686662 -0.2510288), wk = 0.0049261 k( 59) = ( 0.7030585 0.0772333 -0.2304787), wk = 0.0049261 k( 60) = ( 0.6923712 0.0858005 -0.2099286), wk = 0.0049261 k( 61) = ( 0.6816840 0.0943676 -0.1893786), wk = 0.0049261 k( 62) = ( 0.6709967 0.1029348 -0.1688285), wk = 0.0049261 k( 63) = ( 0.6603094 0.1115019 -0.1482784), wk = 0.0049261 k( 64) = ( 0.6496221 0.1200690 -0.1277283), wk = 0.0049261 k( 65) = ( 0.6389348 0.1286362 -0.1071782), wk = 0.0049261 k( 66) = ( 0.6282475 0.1372033 -0.0866281), wk = 0.0049261 k( 67) = ( 0.6175602 0.1457704 -0.0660780), wk = 0.0049261 k( 68) = ( 0.6068729 0.1543376 -0.0455280), wk = 0.0049261 k( 69) = ( 0.5961856 0.1629047 -0.0249779), wk = 0.0049261 k( 70) = ( 0.5854983 0.1714718 -0.0044278), wk = 0.0049261 k( 71) = ( 0.5748110 0.1800390 0.0161223), wk = 0.0049261 k( 72) = ( 0.5641238 0.1886061 0.0366724), wk = 0.0049261 k( 73) = ( 0.5534365 0.1971733 0.0572225), wk = 0.0049261 k( 74) = ( 0.5427492 0.2057404 0.0777725), wk = 0.0049261 k( 75) = ( 0.5320619 0.2143075 0.0983226), wk = 0.0049261 k( 76) = ( 0.5213746 0.2228747 0.1188727), wk = 0.0049261 k( 77) = ( 0.5106873 0.2314418 0.1394228), wk = 0.0049261 k( 78) = ( 0.5000000 0.2400089 0.1599729), wk = 0.0049261 k( 79) = ( 0.5000000 0.2400089 0.1599729), wk = 0.0049261 k( 80) = ( 0.4791667 0.2300086 0.1533074), wk = 0.0049261 k( 81) = ( 0.4583333 0.2200082 0.1466418), wk = 0.0049261 k( 82) = ( 0.4375000 0.2100078 0.1399763), wk = 0.0049261 k( 83) = ( 0.4166667 0.2000074 0.1333107), wk = 0.0049261 k( 84) = ( 0.3958333 0.1900071 0.1266452), wk = 0.0049261 k( 85) = ( 0.3750000 0.1800067 0.1199797), wk = 0.0049261 k( 86) = ( 0.3541667 0.1700063 0.1133141), wk = 0.0049261 k( 87) = ( 0.3333333 0.1600060 0.1066486), wk = 0.0049261 k( 88) = ( 0.3125000 0.1500056 0.0999831), wk = 0.0049261 k( 89) = ( 0.2916667 0.1400052 0.0933175), wk = 0.0049261 k( 90) = ( 0.2708333 0.1300048 0.0866520), wk = 0.0049261 k( 91) = ( 0.2500000 0.1200045 0.0799864), wk = 0.0049261 k( 92) = ( 0.2291667 0.1100041 0.0733209), wk = 0.0049261 k( 93) = ( 0.2083333 0.1000037 0.0666554), wk = 0.0049261 k( 94) = ( 0.1875000 0.0900033 0.0599898), wk = 0.0049261 k( 95) = ( 0.1666667 0.0800030 0.0533243), wk = 0.0049261 k( 96) = ( 0.1458333 0.0700026 0.0466588), wk = 0.0049261 k( 97) = ( 0.1250000 0.0600022 0.0399932), wk = 0.0049261 k( 98) = ( 0.1041667 0.0500019 0.0333277), wk = 0.0049261 k( 99) = ( 0.0833333 0.0400015 0.0266621), wk = 0.0049261 k( 100) = ( 0.0625000 0.0300011 0.0199966), wk = 0.0049261 k( 101) = ( 0.0416667 0.0200007 0.0133311), wk = 0.0049261 k( 102) = ( 0.0208333 0.0100004 0.0066655), wk = 0.0049261 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 105) = ( 0.0106196 -0.0085128 -0.0204198), wk = 0.0049261 k( 106) = ( 0.0212391 -0.0170257 -0.0408397), wk = 0.0049261 k( 107) = ( 0.0318587 -0.0255385 -0.0612596), wk = 0.0049261 k( 108) = ( 0.0424783 -0.0340514 -0.0816794), wk = 0.0049261 k( 109) = ( 0.0530978 -0.0425642 -0.1020993), wk = 0.0049261 k( 110) = ( 0.0637174 -0.0510771 -0.1225191), wk = 0.0049261 k( 111) = ( 0.0743369 -0.0595899 -0.1429390), wk = 0.0049261 k( 112) = ( 0.0849565 -0.0681028 -0.1633589), wk = 0.0049261 k( 113) = ( 0.0955761 -0.0766156 -0.1837787), wk = 0.0049261 k( 114) = ( 0.1061957 -0.0851284 -0.2041986), wk = 0.0049261 k( 115) = ( 0.1168152 -0.0936413 -0.2246184), wk = 0.0049261 k( 116) = ( 0.1274348 -0.1021541 -0.2450383), wk = 0.0049261 k( 117) = ( 0.1380543 -0.1106670 -0.2654581), wk = 0.0049261 k( 118) = ( 0.1486739 -0.1191798 -0.2858780), wk = 0.0049261 k( 119) = ( 0.1592935 -0.1276927 -0.3062978), wk = 0.0049261 k( 120) = ( 0.1699130 -0.1362055 -0.3267177), wk = 0.0049261 k( 121) = ( 0.1805326 -0.1447184 -0.3471376), wk = 0.0049261 k( 122) = ( 0.1911522 -0.1532312 -0.3675574), wk = 0.0049261 k( 123) = ( 0.2017717 -0.1617440 -0.3879773), wk = 0.0049261 k( 124) = ( 0.2123913 -0.1702569 -0.4083971), wk = 0.0049261 k( 125) = ( 0.2230109 -0.1787697 -0.4288170), wk = 0.0049261 k( 126) = ( 0.2336304 -0.1872826 -0.4492369), wk = 0.0049261 k( 127) = ( 0.2442500 -0.1957954 -0.4696567), wk = 0.0049261 k( 128) = ( 0.2548696 -0.2043083 -0.4900766), wk = 0.0049261 k( 129) = ( 0.2654891 -0.2128211 -0.5104964), wk = 0.0049261 k( 130) = ( 0.2761087 -0.2213340 -0.5309163), wk = 0.0049261 k( 131) = ( 0.2867283 -0.2298468 -0.5513361), wk = 0.0049261 k( 132) = ( 0.2973478 -0.2383597 -0.5717560), wk = 0.0049261 k( 133) = ( 0.3079674 -0.2468725 -0.5921759), wk = 0.0049261 k( 134) = ( 0.3185869 -0.2553853 -0.6125957), wk = 0.0049261 k( 135) = ( 0.3292065 -0.2638982 -0.6330156), wk = 0.0049261 k( 136) = ( 0.3398261 -0.2724110 -0.6534354), wk = 0.0049261 k( 137) = ( 0.3504456 -0.2809239 -0.6738553), wk = 0.0049261 k( 138) = ( 0.3610652 -0.2894367 -0.6942751), wk = 0.0049261 k( 139) = ( 0.6389348 -0.0494278 -0.5343022), wk = 0.0049261 k( 140) = ( 0.6282475 -0.0271634 -0.5343022), wk = 0.0049261 k( 141) = ( 0.6175602 -0.0048991 -0.5343022), wk = 0.0049261 k( 142) = ( 0.6068729 0.0173653 -0.5343022), wk = 0.0049261 k( 143) = ( 0.5961856 0.0396297 -0.5343022), wk = 0.0049261 k( 144) = ( 0.5854983 0.0618940 -0.5343022), wk = 0.0049261 k( 145) = ( 0.5748110 0.0841584 -0.5343022), wk = 0.0049261 k( 146) = ( 0.5641238 0.1064228 -0.5343022), wk = 0.0049261 k( 147) = ( 0.5534365 0.1286871 -0.5343022), wk = 0.0049261 k( 148) = ( 0.5427492 0.1509515 -0.5343022), wk = 0.0049261 k( 149) = ( 0.5320619 0.1732158 -0.5343022), wk = 0.0049261 k( 150) = ( 0.5213746 0.1954802 -0.5343022), wk = 0.0049261 k( 151) = ( 0.5106873 0.2177446 -0.5343022), wk = 0.0049261 k( 152) = ( 0.5000000 0.2400089 -0.5343022), wk = 0.0049261 k( 153) = ( 0.5000000 0.2400089 -0.5343022), wk = 0.0049261 k( 154) = ( 0.5154372 0.2474191 -0.5165275), wk = 0.0049261 k( 155) = ( 0.5308744 0.2548292 -0.4987527), wk = 0.0049261 k( 156) = ( 0.5463116 0.2622393 -0.4809779), wk = 0.0049261 k( 157) = ( 0.5617488 0.2696495 -0.4632032), wk = 0.0049261 k( 158) = ( 0.5771860 0.2770596 -0.4454284), wk = 0.0049261 k( 159) = ( 0.5926232 0.2844697 -0.4276536), wk = 0.0049261 k( 160) = ( 0.6080604 0.2918799 -0.4098789), wk = 0.0049261 k( 161) = ( 0.6234976 0.2992900 -0.3921041), wk = 0.0049261 k( 162) = ( 0.6389348 0.3067001 -0.3743293), wk = 0.0049261 k( 163) = ( 0.6389348 0.3067001 -0.3743293), wk = 0.0049261 k( 164) = ( 0.6328942 0.3038005 -0.3510988), wk = 0.0049261 k( 165) = ( 0.6268535 0.3009009 -0.3278683), wk = 0.0049261 k( 166) = ( 0.6208129 0.2980013 -0.3046378), wk = 0.0049261 k( 167) = ( 0.6147722 0.2951016 -0.2814072), wk = 0.0049261 k( 168) = ( 0.6087316 0.2922020 -0.2581767), wk = 0.0049261 k( 169) = ( 0.6026909 0.2893024 -0.2349462), wk = 0.0049261 k( 170) = ( 0.5966503 0.2864028 -0.2117156), wk = 0.0049261 k( 171) = ( 0.5906096 0.2835032 -0.1884851), wk = 0.0049261 k( 172) = ( 0.5845690 0.2806036 -0.1652546), wk = 0.0049261 k( 173) = ( 0.5785284 0.2777039 -0.1420240), wk = 0.0049261 k( 174) = ( 0.5724877 0.2748043 -0.1187935), wk = 0.0049261 k( 175) = ( 0.5664471 0.2719047 -0.0955630), wk = 0.0049261 k( 176) = ( 0.5604064 0.2690051 -0.0723324), wk = 0.0049261 k( 177) = ( 0.5543658 0.2661055 -0.0491019), wk = 0.0049261 k( 178) = ( 0.5483252 0.2632059 -0.0258714), wk = 0.0049261 k( 179) = ( 0.5422845 0.2603062 -0.0026408), wk = 0.0049261 k( 180) = ( 0.5362439 0.2574066 0.0205897), wk = 0.0049261 k( 181) = ( 0.5302032 0.2545070 0.0438202), wk = 0.0049261 k( 182) = ( 0.5241626 0.2516074 0.0670508), wk = 0.0049261 k( 183) = ( 0.5181219 0.2487078 0.0902813), wk = 0.0049261 k( 184) = ( 0.5120813 0.2458082 0.1135118), wk = 0.0049261 k( 185) = ( 0.5060406 0.2429085 0.1367424), wk = 0.0049261 k( 186) = ( 0.5000000 0.2400089 0.1599729), wk = 0.0049261 k( 187) = ( 0.5000000 -0.4008095 -0.2671511), wk = 0.0049261 k( 188) = ( 0.5173669 -0.3858089 -0.2571528), wk = 0.0049261 k( 189) = ( 0.5347337 -0.3708084 -0.2471545), wk = 0.0049261 k( 190) = ( 0.5521006 -0.3558078 -0.2371562), wk = 0.0049261 k( 191) = ( 0.5694674 -0.3408073 -0.2271579), wk = 0.0049261 k( 192) = ( 0.5868343 -0.3258067 -0.2171596), wk = 0.0049261 k( 193) = ( 0.6042011 -0.3108061 -0.2071613), wk = 0.0049261 k( 194) = ( 0.6215679 -0.2958056 -0.1971630), wk = 0.0049261 k( 195) = ( 0.6389348 -0.2808050 -0.1871647), wk = 0.0049261 k( 196) = ( 0.6563016 -0.2658045 -0.1771664), wk = 0.0049261 k( 197) = ( 0.6736685 -0.2508039 -0.1671681), wk = 0.0049261 k( 198) = ( 0.6910353 -0.2358033 -0.1571697), wk = 0.0049261 k( 199) = ( 0.7084022 -0.2208028 -0.1471714), wk = 0.0049261 k( 200) = ( 0.7257690 -0.2058022 -0.1371731), wk = 0.0049261 k( 201) = ( 0.7431359 -0.1908017 -0.1271748), wk = 0.0049261 k( 202) = ( 0.7605027 -0.1758011 -0.1171765), wk = 0.0049261 k( 203) = ( 0.7778696 -0.1608006 -0.1071782), wk = 0.0049261 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 2) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0049261 k( 3) = ( 0.0357143 -0.0000000 0.0000000), wk = 0.0049261 k( 4) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0049261 k( 5) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0049261 k( 6) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0049261 k( 7) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0049261 k( 8) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0049261 k( 9) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0049261 k( 10) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0049261 k( 11) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0049261 k( 12) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0049261 k( 13) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0049261 k( 14) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0049261 k( 15) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0049261 k( 16) = ( 0.2678571 -0.0000000 0.0000000), wk = 0.0049261 k( 17) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0049261 k( 18) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0049261 k( 19) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0049261 k( 20) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0049261 k( 21) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0049261 k( 22) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0049261 k( 23) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0049261 k( 24) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0049261 k( 25) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0049261 k( 26) = ( 0.4464286 -0.0000000 0.0000000), wk = 0.0049261 k( 27) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0049261 k( 28) = ( 0.4821429 -0.0000000 0.0000000), wk = 0.0049261 k( 29) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049261 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049261 k( 31) = ( 0.5000000 0.0105776 -0.0105776), wk = 0.0049261 k( 32) = ( 0.5000000 0.0211553 -0.0211553), wk = 0.0049261 k( 33) = ( 0.5000000 0.0317329 -0.0317329), wk = 0.0049261 k( 34) = ( 0.5000000 0.0423106 -0.0423105), wk = 0.0049261 k( 35) = ( 0.5000000 0.0528882 -0.0528882), wk = 0.0049261 k( 36) = ( 0.5000000 0.0634658 -0.0634658), wk = 0.0049261 k( 37) = ( 0.5000000 0.0740435 -0.0740435), wk = 0.0049261 k( 38) = ( 0.5000000 0.0846211 -0.0846211), wk = 0.0049261 k( 39) = ( 0.5000000 0.0951987 -0.0951987), wk = 0.0049261 k( 40) = ( 0.5000000 0.1057764 -0.1057764), wk = 0.0049261 k( 41) = ( 0.5000000 0.1163540 -0.1163540), wk = 0.0049261 k( 42) = ( 0.5000000 0.1269317 -0.1269317), wk = 0.0049261 k( 43) = ( 0.5000000 0.1375093 -0.1375093), wk = 0.0049261 k( 44) = ( 0.5000000 0.1480869 -0.1480869), wk = 0.0049261 k( 45) = ( 0.5000000 0.1586646 -0.1586646), wk = 0.0049261 k( 46) = ( 0.5000000 0.1692422 -0.1692422), wk = 0.0049261 k( 47) = ( 0.5000000 0.1798199 -0.1798199), wk = 0.0049261 k( 48) = ( 0.5000000 0.1903975 -0.1903975), wk = 0.0049261 k( 49) = ( 0.5000000 0.2009751 -0.2009751), wk = 0.0049261 k( 50) = ( 0.5000000 0.2115528 -0.2115528), wk = 0.0049261 k( 51) = ( 0.5000000 0.2221304 -0.2221304), wk = 0.0049261 k( 52) = ( 0.7778696 0.5000000 0.2221304), wk = 0.0049261 k( 53) = ( 0.7671823 0.5000000 0.2328177), wk = 0.0049261 k( 54) = ( 0.7564950 0.5000000 0.2435050), wk = 0.0049261 k( 55) = ( 0.7458077 0.5000000 0.2541923), wk = 0.0049261 k( 56) = ( 0.7351204 0.5000000 0.2648796), wk = 0.0049261 k( 57) = ( 0.7244331 0.5000000 0.2755669), wk = 0.0049261 k( 58) = ( 0.7137458 0.5000000 0.2862542), wk = 0.0049261 k( 59) = ( 0.7030585 0.5000000 0.2969414), wk = 0.0049261 k( 60) = ( 0.6923712 0.5000000 0.3076287), wk = 0.0049261 k( 61) = ( 0.6816840 0.5000000 0.3183160), wk = 0.0049261 k( 62) = ( 0.6709967 0.5000000 0.3290033), wk = 0.0049261 k( 63) = ( 0.6603094 0.5000000 0.3396906), wk = 0.0049261 k( 64) = ( 0.6496221 0.5000000 0.3503779), wk = 0.0049261 k( 65) = ( 0.6389348 0.5000000 0.3610652), wk = 0.0049261 k( 66) = ( 0.6282475 0.5000000 0.3717525), wk = 0.0049261 k( 67) = ( 0.6175602 0.5000000 0.3824398), wk = 0.0049261 k( 68) = ( 0.6068729 0.5000000 0.3931271), wk = 0.0049261 k( 69) = ( 0.5961856 0.5000000 0.4038144), wk = 0.0049261 k( 70) = ( 0.5854983 0.5000000 0.4145017), wk = 0.0049261 k( 71) = ( 0.5748110 0.5000000 0.4251890), wk = 0.0049261 k( 72) = ( 0.5641238 0.5000000 0.4358763), wk = 0.0049261 k( 73) = ( 0.5534365 0.5000000 0.4465635), wk = 0.0049261 k( 74) = ( 0.5427492 0.5000000 0.4572508), wk = 0.0049261 k( 75) = ( 0.5320619 0.5000000 0.4679381), wk = 0.0049261 k( 76) = ( 0.5213746 0.5000000 0.4786254), wk = 0.0049261 k( 77) = ( 0.5106873 0.5000000 0.4893127), wk = 0.0049261 k( 78) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 79) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 80) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0049261 k( 81) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0049261 k( 82) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0049261 k( 83) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0049261 k( 84) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0049261 k( 85) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0049261 k( 86) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0049261 k( 87) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0049261 k( 88) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0049261 k( 89) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0049261 k( 90) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0049261 k( 91) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0049261 k( 92) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0049261 k( 93) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0049261 k( 94) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0049261 k( 95) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0049261 k( 96) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0049261 k( 97) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0049261 k( 98) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0049261 k( 99) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0049261 k( 100) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0049261 k( 101) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0049261 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0049261 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049261 k( 105) = ( 0.0106196 -0.0000000 -0.0106196), wk = 0.0049261 k( 106) = ( 0.0212391 0.0000000 -0.0212391), wk = 0.0049261 k( 107) = ( 0.0318587 0.0000000 -0.0318587), wk = 0.0049261 k( 108) = ( 0.0424783 0.0000000 -0.0424783), wk = 0.0049261 k( 109) = ( 0.0530978 0.0000000 -0.0530978), wk = 0.0049261 k( 110) = ( 0.0637174 0.0000000 -0.0637174), wk = 0.0049261 k( 111) = ( 0.0743369 0.0000000 -0.0743369), wk = 0.0049261 k( 112) = ( 0.0849565 0.0000000 -0.0849565), wk = 0.0049261 k( 113) = ( 0.0955761 -0.0000000 -0.0955761), wk = 0.0049261 k( 114) = ( 0.1061957 0.0000000 -0.1061957), wk = 0.0049261 k( 115) = ( 0.1168152 0.0000000 -0.1168152), wk = 0.0049261 k( 116) = ( 0.1274348 0.0000000 -0.1274348), wk = 0.0049261 k( 117) = ( 0.1380543 0.0000000 -0.1380543), wk = 0.0049261 k( 118) = ( 0.1486739 0.0000000 -0.1486739), wk = 0.0049261 k( 119) = ( 0.1592935 0.0000000 -0.1592935), wk = 0.0049261 k( 120) = ( 0.1699130 0.0000000 -0.1699130), wk = 0.0049261 k( 121) = ( 0.1805326 0.0000000 -0.1805326), wk = 0.0049261 k( 122) = ( 0.1911522 0.0000000 -0.1911522), wk = 0.0049261 k( 123) = ( 0.2017717 0.0000000 -0.2017717), wk = 0.0049261 k( 124) = ( 0.2123913 0.0000000 -0.2123913), wk = 0.0049261 k( 125) = ( 0.2230109 0.0000000 -0.2230109), wk = 0.0049261 k( 126) = ( 0.2336304 0.0000000 -0.2336304), wk = 0.0049261 k( 127) = ( 0.2442500 0.0000000 -0.2442500), wk = 0.0049261 k( 128) = ( 0.2548696 0.0000000 -0.2548696), wk = 0.0049261 k( 129) = ( 0.2654891 0.0000000 -0.2654891), wk = 0.0049261 k( 130) = ( 0.2761087 0.0000000 -0.2761087), wk = 0.0049261 k( 131) = ( 0.2867283 0.0000000 -0.2867282), wk = 0.0049261 k( 132) = ( 0.2973478 0.0000000 -0.2973478), wk = 0.0049261 k( 133) = ( 0.3079674 0.0000000 -0.3079674), wk = 0.0049261 k( 134) = ( 0.3185869 0.0000000 -0.3185869), wk = 0.0049261 k( 135) = ( 0.3292065 0.0000000 -0.3292065), wk = 0.0049261 k( 136) = ( 0.3398261 0.0000000 -0.3398261), wk = 0.0049261 k( 137) = ( 0.3504456 -0.0000000 -0.3504456), wk = 0.0049261 k( 138) = ( 0.3610652 0.0000000 -0.3610652), wk = 0.0049261 k( 139) = ( 0.6389348 0.3610652 -0.0000000), wk = 0.0049261 k( 140) = ( 0.6282475 0.3717525 0.0000000), wk = 0.0049261 k( 141) = ( 0.6175602 0.3824398 0.0000000), wk = 0.0049261 k( 142) = ( 0.6068729 0.3931271 0.0000000), wk = 0.0049261 k( 143) = ( 0.5961856 0.4038144 0.0000000), wk = 0.0049261 k( 144) = ( 0.5854983 0.4145017 0.0000000), wk = 0.0049261 k( 145) = ( 0.5748110 0.4251890 0.0000000), wk = 0.0049261 k( 146) = ( 0.5641238 0.4358763 -0.0000000), wk = 0.0049261 k( 147) = ( 0.5534365 0.4465635 0.0000000), wk = 0.0049261 k( 148) = ( 0.5427492 0.4572508 0.0000000), wk = 0.0049261 k( 149) = ( 0.5320619 0.4679381 0.0000000), wk = 0.0049261 k( 150) = ( 0.5213746 0.4786254 0.0000000), wk = 0.0049261 k( 151) = ( 0.5106873 0.4893127 -0.0000000), wk = 0.0049261 k( 152) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0049261 k( 153) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0049261 k( 154) = ( 0.5154372 0.5154372 0.0246812), wk = 0.0049261 k( 155) = ( 0.5308744 0.5308744 0.0493623), wk = 0.0049261 k( 156) = ( 0.5463116 0.5463116 0.0740435), wk = 0.0049261 k( 157) = ( 0.5617488 0.5617488 0.0987246), wk = 0.0049261 k( 158) = ( 0.5771860 0.5771860 0.1234058), wk = 0.0049261 k( 159) = ( 0.5926232 0.5926232 0.1480869), wk = 0.0049261 k( 160) = ( 0.6080604 0.6080604 0.1727681), wk = 0.0049261 k( 161) = ( 0.6234976 0.6234976 0.1974493), wk = 0.0049261 k( 162) = ( 0.6389348 0.6389348 0.2221304), wk = 0.0049261 k( 163) = ( 0.6389348 0.6389348 0.2221304), wk = 0.0049261 k( 164) = ( 0.6328942 0.6328942 0.2342117), wk = 0.0049261 k( 165) = ( 0.6268535 0.6268535 0.2462930), wk = 0.0049261 k( 166) = ( 0.6208129 0.6208129 0.2583743), wk = 0.0049261 k( 167) = ( 0.6147722 0.6147722 0.2704556), wk = 0.0049261 k( 168) = ( 0.6087316 0.6087316 0.2825368), wk = 0.0049261 k( 169) = ( 0.6026909 0.6026909 0.2946181), wk = 0.0049261 k( 170) = ( 0.5966503 0.5966503 0.3066994), wk = 0.0049261 k( 171) = ( 0.5906096 0.5906097 0.3187807), wk = 0.0049261 k( 172) = ( 0.5845690 0.5845690 0.3308620), wk = 0.0049261 k( 173) = ( 0.5785284 0.5785284 0.3429433), wk = 0.0049261 k( 174) = ( 0.5724877 0.5724877 0.3550246), wk = 0.0049261 k( 175) = ( 0.5664471 0.5664471 0.3671059), wk = 0.0049261 k( 176) = ( 0.5604064 0.5604064 0.3791871), wk = 0.0049261 k( 177) = ( 0.5543658 0.5543658 0.3912684), wk = 0.0049261 k( 178) = ( 0.5483252 0.5483252 0.4033497), wk = 0.0049261 k( 179) = ( 0.5422845 0.5422845 0.4154310), wk = 0.0049261 k( 180) = ( 0.5362439 0.5362439 0.4275123), wk = 0.0049261 k( 181) = ( 0.5302032 0.5302032 0.4395936), wk = 0.0049261 k( 182) = ( 0.5241626 0.5241626 0.4516749), wk = 0.0049261 k( 183) = ( 0.5181219 0.5181219 0.4637561), wk = 0.0049261 k( 184) = ( 0.5120813 0.5120813 0.4758374), wk = 0.0049261 k( 185) = ( 0.5060406 0.5060406 0.4879187), wk = 0.0049261 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049261 k( 187) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049261 k( 188) = ( 0.5173669 0.0225666 0.0225666), wk = 0.0049261 k( 189) = ( 0.5347337 0.0451332 0.0451332), wk = 0.0049261 k( 190) = ( 0.5521006 0.0676997 0.0676997), wk = 0.0049261 k( 191) = ( 0.5694674 0.0902663 0.0902663), wk = 0.0049261 k( 192) = ( 0.5868343 0.1128329 0.1128329), wk = 0.0049261 k( 193) = ( 0.6042011 0.1353995 0.1353995), wk = 0.0049261 k( 194) = ( 0.6215679 0.1579660 0.1579660), wk = 0.0049261 k( 195) = ( 0.6389348 0.1805326 0.1805326), wk = 0.0049261 k( 196) = ( 0.6563016 0.2030992 0.2030992), wk = 0.0049261 k( 197) = ( 0.6736685 0.2256658 0.2256658), wk = 0.0049261 k( 198) = ( 0.6910353 0.2482323 0.2482323), wk = 0.0049261 k( 199) = ( 0.7084022 0.2707989 0.2707989), wk = 0.0049261 k( 200) = ( 0.7257690 0.2933655 0.2933655), wk = 0.0049261 k( 201) = ( 0.7431359 0.3159321 0.3159321), wk = 0.0049261 k( 202) = ( 0.7605027 0.3384986 0.3384986), wk = 0.0049261 k( 203) = ( 0.7778696 0.3610652 0.3610652), wk = 0.0049261 Dense grid: 178459 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.83 Mb ( 634, 86) NL pseudopotentials 1.45 Mb ( 317, 300) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.02 Mb ( 2479) G-vector shells 0.02 Mb ( 2215) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.33 Mb ( 634, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.79 Mb ( 300, 2, 86) The potential is recalculated from file : ./CrGeTe3.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 10.0 secs Computing kpt #: 3 total cpu time spent up to now is 14.1 secs Computing kpt #: 4 total cpu time spent up to now is 18.2 secs Computing kpt #: 5 total cpu time spent up to now is 22.2 secs Computing kpt #: 6 total cpu time spent up to now is 26.3 secs Computing kpt #: 7 total cpu time spent up to now is 30.4 secs Computing kpt #: 8 total cpu time spent up to now is 34.0 secs Computing kpt #: 9 total cpu time spent up to now is 37.1 secs Computing kpt #: 10 total cpu time spent up to now is 40.7 secs Computing kpt #: 11 total cpu time spent up to now is 44.4 secs Computing kpt #: 12 total cpu time spent up to now is 48.0 secs Computing kpt #: 13 total cpu time spent up to now is 51.0 secs Computing kpt #: 14 total cpu time spent up to now is 54.1 secs Computing kpt #: 15 total cpu time spent up to now is 57.1 secs Computing kpt #: 16 total cpu time spent up to now is 60.0 secs Computing kpt #: 17 total cpu time spent up to now is 63.0 secs Computing kpt #: 18 total cpu time spent up to now is 66.0 secs Computing kpt #: 19 total cpu time spent up to now is 68.9 secs Computing kpt #: 20 total cpu time spent up to now is 71.9 secs Computing kpt #: 21 total cpu time spent up to now is 75.0 secs Computing kpt #: 22 total cpu time spent up to now is 78.5 secs Computing kpt #: 23 total cpu time spent up to now is 82.0 secs Computing kpt #: 24 total cpu time spent up to now is 85.0 secs Computing kpt #: 25 total cpu time spent up to now is 88.9 secs Computing kpt #: 26 total cpu time spent up to now is 91.9 secs Computing kpt #: 27 total cpu time spent up to now is 94.9 secs Computing kpt #: 28 total cpu time spent up to now is 98.8 secs Computing kpt #: 29 total cpu time spent up to now is 101.9 secs Computing kpt #: 30 total cpu time spent up to now is 104.9 secs Computing kpt #: 31 total cpu time spent up to now is 108.7 secs Computing kpt #: 32 total cpu time spent up to now is 112.7 secs Computing kpt #: 33 total cpu time spent up to now is 116.6 secs Computing kpt #: 34 total cpu time spent up to now is 120.5 secs Computing kpt #: 35 total cpu time spent up to now is 124.6 secs Computing kpt #: 36 total cpu time spent up to now is 128.7 secs Computing kpt #: 37 total cpu time spent up to now is 132.9 secs Computing kpt #: 38 total cpu time spent up to now is 137.1 secs Computing kpt #: 39 total cpu time spent up to now is 141.7 secs Computing kpt #: 40 total cpu time spent up to now is 146.4 secs Computing kpt #: 41 total cpu time spent up to now is 151.2 secs Computing kpt #: 42 total cpu time spent up to now is 156.0 secs Computing kpt #: 43 total cpu time spent up to now is 161.0 secs Computing kpt #: 44 total cpu time spent up to now is 166.1 secs Computing kpt #: 45 total cpu time spent up to now is 171.7 secs Computing kpt #: 46 total cpu time spent up to now is 177.3 secs Computing kpt #: 47 total cpu time spent up to now is 182.4 secs Computing kpt #: 48 total cpu time spent up to now is 187.5 secs Computing kpt #: 49 total cpu time spent up to now is 192.6 secs Computing kpt #: 50 total cpu time spent up to now is 197.4 secs Computing kpt #: 51 total cpu time spent up to now is 202.2 secs Computing kpt #: 52 total cpu time spent up to now is 207.5 secs Computing kpt #: 53 total cpu time spent up to now is 212.4 secs Computing kpt #: 54 total cpu time spent up to now is 216.9 secs Computing kpt #: 55 total cpu time spent up to now is 221.7 secs Computing kpt #: 56 total cpu time spent up to now is 226.8 secs Computing kpt #: 57 total cpu time spent up to now is 231.7 secs Computing kpt #: 58 total cpu time spent up to now is 236.2 secs Computing kpt #: 59 total cpu time spent up to now is 240.2 secs Computing kpt #: 60 total cpu time spent up to now is 244.1 secs Computing kpt #: 61 total cpu time spent up to now is 247.6 secs Computing kpt #: 62 total cpu time spent up to now is 251.1 secs Computing kpt #: 63 total cpu time spent up to now is 254.1 secs Computing kpt #: 64 total cpu time spent up to now is 257.1 secs Computing kpt #: 65 total cpu time spent up to now is 260.2 secs Computing kpt #: 66 total cpu time spent up to now is 263.2 secs Computing kpt #: 67 total cpu time spent up to now is 266.1 secs Computing kpt #: 68 total cpu time spent up to now is 269.1 secs Computing kpt #: 69 total cpu time spent up to now is 272.1 secs Computing kpt #: 70 total cpu time spent up to now is 275.1 secs Computing kpt #: 71 total cpu time spent up to now is 278.1 secs Computing kpt #: 72 total cpu time spent up to now is 281.1 secs Computing kpt #: 73 total cpu time spent up to now is 284.7 secs Computing kpt #: 74 total cpu time spent up to now is 288.5 secs Computing kpt #: 75 total cpu time spent up to now is 292.4 secs Computing kpt #: 76 total cpu time spent up to now is 296.4 secs Computing kpt #: 77 total cpu time spent up to now is 300.1 secs Computing kpt #: 78 total cpu time spent up to now is 303.2 secs Computing kpt #: 79 total cpu time spent up to now is 306.7 secs Computing kpt #: 80 total cpu time spent up to now is 310.3 secs Computing kpt #: 81 total cpu time spent up to now is 313.9 secs Computing kpt #: 82 total cpu time spent up to now is 319.1 secs Computing kpt #: 83 total cpu time spent up to now is 323.1 secs Computing kpt #: 84 total cpu time spent up to now is 327.2 secs Computing kpt #: 85 total cpu time spent up to now is 331.3 secs Computing kpt #: 86 total cpu time spent up to now is 335.3 secs Computing kpt #: 87 total cpu time spent up to now is 339.8 secs Computing kpt #: 88 total cpu time spent up to now is 343.9 secs Computing kpt #: 89 total cpu time spent up to now is 348.0 secs Computing kpt #: 90 total cpu time spent up to now is 352.1 secs Computing kpt #: 91 total cpu time spent up to now is 356.2 secs Computing kpt #: 92 total cpu time spent up to now is 360.3 secs Computing kpt #: 93 total cpu time spent up to now is 364.3 secs Computing kpt #: 94 total cpu time spent up to now is 369.0 secs Computing kpt #: 95 total cpu time spent up to now is 373.0 secs Computing kpt #: 96 total cpu time spent up to now is 377.2 secs Computing kpt #: 97 total cpu time spent up to now is 381.4 secs Computing kpt #: 98 total cpu time spent up to now is 385.6 secs Computing kpt #: 99 total cpu time spent up to now is 389.7 secs Computing kpt #: 100 total cpu time spent up to now is 393.7 secs Computing kpt #: 101 total cpu time spent up to now is 397.9 secs Computing kpt #: 102 total cpu time spent up to now is 402.0 secs Computing kpt #: 103 total cpu time spent up to now is 405.9 secs Computing kpt #: 104 total cpu time spent up to now is 410.3 secs Computing kpt #: 105 total cpu time spent up to now is 414.4 secs Computing kpt #: 106 total cpu time spent up to now is 418.7 secs Computing kpt #: 107 total cpu time spent up to now is 422.9 secs Computing kpt #: 108 total cpu time spent up to now is 427.0 secs Computing kpt #: 109 total cpu time spent up to now is 430.9 secs Computing kpt #: 110 total cpu time spent up to now is 434.8 secs Computing kpt #: 111 total cpu time spent up to now is 438.5 secs Computing kpt #: 112 total cpu time spent up to now is 442.3 secs Computing kpt #: 113 total cpu time spent up to now is 446.1 secs Computing kpt #: 114 total cpu time spent up to now is 449.9 secs Computing kpt #: 115 total cpu time spent up to now is 453.5 secs Computing kpt #: 116 total cpu time spent up to now is 457.3 secs Computing kpt #: 117 total cpu time spent up to now is 460.3 secs Computing kpt #: 118 total cpu time spent up to now is 464.1 secs Computing kpt #: 119 total cpu time spent up to now is 468.2 secs Computing kpt #: 120 total cpu time spent up to now is 472.1 secs Computing kpt #: 121 total cpu time spent up to now is 476.1 secs Computing kpt #: 122 total cpu time spent up to now is 480.1 secs Computing kpt #: 123 total cpu time spent up to now is 484.7 secs Computing kpt #: 124 total cpu time spent up to now is 489.7 secs Computing kpt #: 125 total cpu time spent up to now is 496.5 secs Computing kpt #: 126 total cpu time spent up to now is 501.7 secs Computing kpt #: 127 total cpu time spent up to now is 506.7 secs Computing kpt #: 128 total cpu time spent up to now is 511.6 secs Computing kpt #: 129 total cpu time spent up to now is 515.9 secs Computing kpt #: 130 total cpu time spent up to now is 520.3 secs Computing kpt #: 131 total cpu time spent up to now is 524.6 secs Computing kpt #: 132 total cpu time spent up to now is 529.0 secs Computing kpt #: 133 total cpu time spent up to now is 533.4 secs Computing kpt #: 134 total cpu time spent up to now is 537.9 secs Computing kpt #: 135 total cpu time spent up to now is 543.1 secs Computing kpt #: 136 total cpu time spent up to now is 547.9 secs Computing kpt #: 137 total cpu time spent up to now is 552.8 secs Computing kpt #: 138 total cpu time spent up to now is 557.6 secs Computing kpt #: 139 total cpu time spent up to now is 562.5 secs Computing kpt #: 140 total cpu time spent up to now is 567.3 secs Computing kpt #: 141 total cpu time spent up to now is 572.2 secs Computing kpt #: 142 total cpu time spent up to now is 576.1 secs Computing kpt #: 143 total cpu time spent up to now is 581.0 secs Computing kpt #: 144 total cpu time spent up to now is 586.0 secs Computing kpt #: 145 total cpu time spent up to now is 591.0 secs Computing kpt #: 146 total cpu time spent up to now is 596.0 secs Computing kpt #: 147 total cpu time spent up to now is 600.8 secs Computing kpt #: 148 total cpu time spent up to now is 605.5 secs Computing kpt #: 149 total cpu time spent up to now is 610.3 secs Computing kpt #: 150 total cpu time spent up to now is 615.2 secs Computing kpt #: 151 total cpu time spent up to now is 619.1 secs Computing kpt #: 152 total cpu time spent up to now is 623.8 secs Computing kpt #: 153 total cpu time spent up to now is 628.4 secs Computing kpt #: 154 total cpu time spent up to now is 633.0 secs Computing kpt #: 155 total cpu time spent up to now is 637.8 secs Computing kpt #: 156 total cpu time spent up to now is 642.5 secs Computing kpt #: 157 total cpu time spent up to now is 647.3 secs Computing kpt #: 158 total cpu time spent up to now is 652.0 secs Computing kpt #: 159 total cpu time spent up to now is 656.7 secs Computing kpt #: 160 total cpu time spent up to now is 660.9 secs Computing kpt #: 161 total cpu time spent up to now is 664.8 secs Computing kpt #: 162 total cpu time spent up to now is 668.9 secs Computing kpt #: 163 total cpu time spent up to now is 673.0 secs Computing kpt #: 164 total cpu time spent up to now is 677.0 secs Computing kpt #: 165 total cpu time spent up to now is 680.9 secs Computing kpt #: 166 total cpu time spent up to now is 684.5 secs Computing kpt #: 167 total cpu time spent up to now is 688.1 secs Computing kpt #: 168 total cpu time spent up to now is 691.2 secs Computing kpt #: 169 total cpu time spent up to now is 694.3 secs Computing kpt #: 170 total cpu time spent up to now is 697.3 secs Computing kpt #: 171 total cpu time spent up to now is 700.3 secs Computing kpt #: 172 total cpu time spent up to now is 704.0 secs Computing kpt #: 173 total cpu time spent up to now is 707.0 secs Computing kpt #: 174 total cpu time spent up to now is 710.0 secs Computing kpt #: 175 total cpu time spent up to now is 713.0 secs Computing kpt #: 176 total cpu time spent up to now is 716.1 secs Computing kpt #: 177 total cpu time spent up to now is 719.1 secs Computing kpt #: 178 total cpu time spent up to now is 722.1 secs Computing kpt #: 179 total cpu time spent up to now is 725.1 secs Computing kpt #: 180 total cpu time spent up to now is 728.2 secs Computing kpt #: 181 total cpu time spent up to now is 731.8 secs Computing kpt #: 182 total cpu time spent up to now is 734.8 secs Computing kpt #: 183 total cpu time spent up to now is 738.2 secs Computing kpt #: 184 total cpu time spent up to now is 742.4 secs Computing kpt #: 185 total cpu time spent up to now is 745.6 secs Computing kpt #: 186 total cpu time spent up to now is 749.2 secs Computing kpt #: 187 total cpu time spent up to now is 753.1 secs Computing kpt #: 188 total cpu time spent up to now is 757.0 secs Computing kpt #: 189 total cpu time spent up to now is 761.1 secs Computing kpt #: 190 total cpu time spent up to now is 765.2 secs Computing kpt #: 191 total cpu time spent up to now is 769.3 secs Computing kpt #: 192 total cpu time spent up to now is 772.3 secs Computing kpt #: 193 total cpu time spent up to now is 776.7 secs Computing kpt #: 194 total cpu time spent up to now is 780.7 secs Computing kpt #: 195 total cpu time spent up to now is 784.6 secs Computing kpt #: 196 total cpu time spent up to now is 788.4 secs Computing kpt #: 197 total cpu time spent up to now is 792.0 secs Computing kpt #: 198 total cpu time spent up to now is 795.9 secs Computing kpt #: 199 total cpu time spent up to now is 799.7 secs Computing kpt #: 200 total cpu time spent up to now is 803.7 secs Computing kpt #: 201 total cpu time spent up to now is 809.3 secs Computing kpt #: 202 total cpu time spent up to now is 813.3 secs Computing kpt #: 203 total cpu time spent up to now is 817.4 secs ethr = 1.39E-08, avg # of iterations = 33.4 total cpu time spent up to now is 817.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -64.2908 -64.2908 -64.2903 -64.2903 -36.3602 -36.3602 -36.3586 -36.3586 -35.4116 -35.4116 -35.4109 -35.4109 -35.3487 -35.3487 -35.3450 -35.3450 -6.2080 -6.2080 -4.9621 -4.9621 -3.9246 -3.9246 -3.9170 -3.9170 -3.8747 -3.8747 -3.8674 -3.8674 -2.0814 -2.0814 -0.1391 -0.1391 1.6753 1.6753 1.9465 1.9465 2.1544 2.1544 2.3238 2.3238 2.4672 2.4672 2.5827 2.5827 3.2737 3.2737 4.7888 4.7888 4.7963 4.7963 4.8241 4.8241 4.8856 4.8856 5.2516 5.2516 5.4086 5.4086 5.6368 5.6368 6.0822 6.0822 6.6978 6.6978 6.7444 6.7444 6.7742 6.7742 6.8118 6.8118 6.8175 6.8175 6.9668 6.9668 7.0713 7.0713 7.0766 7.0766 8.4077 8.4077 8.4086 8.4086 8.6330 8.6330 8.6728 8.6728 k = 0.0179-0.0143-0.0095 ( 22273 PWs) bands (ev): -64.2908 -64.2908 -64.2907 -64.2907 -36.3602 -36.3602 -36.3587 -36.3587 -35.4115 -35.4115 -35.4110 -35.4110 -35.3487 -35.3487 -35.3451 -35.3451 -6.2069 -6.2069 -4.9615 -4.9615 -3.9268 -3.9268 -3.9192 -3.9192 -3.8749 -3.8749 -3.8678 -3.8678 -2.0793 -2.0793 -0.1393 -0.1393 1.6759 1.6759 1.9481 1.9481 2.1552 2.1552 2.3141 2.3141 2.4707 2.4707 2.5974 2.5974 3.2773 3.2773 4.7789 4.7789 4.7990 4.7990 4.8228 4.8228 4.8872 4.8872 5.2534 5.2534 5.4059 5.4059 5.6332 5.6332 6.0771 6.0771 6.6917 6.6917 6.7407 6.7407 6.7615 6.7615 6.8148 6.8148 6.8250 6.8250 6.9678 6.9678 7.0713 7.0713 7.0771 7.0771 8.4053 8.4053 8.4090 8.4090 8.6106 8.6106 8.6919 8.6919 k = 0.0357-0.0286-0.0191 ( 22286 PWs) bands (ev): -64.2911 -64.2911 -64.2908 -64.2908 -36.3602 -36.3602 -36.3587 -36.3587 -35.4116 -35.4116 -35.4110 -35.4110 -35.3487 -35.3487 -35.3452 -35.3452 -6.2037 -6.2037 -4.9597 -4.9597 -3.9346 -3.9346 -3.9241 -3.9241 -3.8759 -3.8759 -3.8689 -3.8689 -2.0731 -2.0731 -0.1398 -0.1398 1.6780 1.6780 1.9524 1.9524 2.1572 2.1572 2.2909 2.2909 2.4815 2.4815 2.6360 2.6360 3.2878 3.2878 4.7588 4.7588 4.7976 4.7976 4.8207 4.8207 4.8919 4.8919 5.2583 5.2583 5.3981 5.3981 5.6229 5.6229 6.0619 6.0619 6.6709 6.6709 6.7300 6.7300 6.7443 6.7443 6.8203 6.8203 6.8367 6.8367 6.9687 6.9687 7.0705 7.0705 7.0793 7.0793 8.3980 8.3980 8.4107 8.4107 8.5765 8.5765 8.7179 8.7179 k = 0.0536-0.0429-0.0286 ( 22301 PWs) bands (ev): -64.2917 -64.2917 -64.2908 -64.2908 -36.3602 -36.3602 -36.3588 -36.3588 -35.4116 -35.4116 -35.4111 -35.4111 -35.3486 -35.3486 -35.3453 -35.3453 -6.1983 -6.1983 -4.9567 -4.9567 -3.9489 -3.9489 -3.9301 -3.9301 -3.8783 -3.8783 -3.8705 -3.8705 -2.0630 -2.0630 -0.1407 -0.1407 1.6818 1.6818 1.9582 1.9582 2.1588 2.1588 2.2657 2.2657 2.4999 2.4999 2.6891 2.6891 3.3050 3.3050 4.7304 4.7304 4.7916 4.7916 4.8186 4.8186 4.8985 4.8985 5.2648 5.2648 5.3857 5.3857 5.6063 5.6063 6.0367 6.0367 6.6322 6.6322 6.7068 6.7068 6.7407 6.7407 6.8252 6.8252 6.8467 6.8467 6.9705 6.9705 7.0687 7.0687 7.0839 7.0839 8.3847 8.3847 8.4135 8.4135 8.5456 8.5456 8.7379 8.7379 k = 0.0714-0.0573-0.0382 ( 22301 PWs) bands (ev): -64.2917 -64.2917 -64.2909 -64.2909 -36.3602 -36.3602 -36.3588 -36.3588 -35.4116 -35.4116 -35.4111 -35.4111 -35.3486 -35.3486 -35.3453 -35.3453 -6.1908 -6.1908 -4.9526 -4.9526 -3.9687 -3.9687 -3.9372 -3.9372 -3.8828 -3.8828 -3.8725 -3.8725 -2.0491 -2.0491 -0.1419 -0.1419 1.6874 1.6874 1.9642 1.9642 2.1544 2.1544 2.2514 2.2514 2.5256 2.5256 2.7511 2.7511 3.3286 3.3286 4.6941 4.6941 4.7831 4.7831 4.8150 4.8150 4.9066 4.9066 5.2709 5.2709 5.3700 5.3700 5.5845 5.5845 6.0017 6.0017 6.5805 6.5805 6.6820 6.6820 6.7424 6.7424 6.8274 6.8274 6.8554 6.8554 6.9734 6.9734 7.0665 7.0665 7.0899 7.0899 8.3648 8.3648 8.4163 8.4163 8.5228 8.5228 8.7502 8.7502 k = 0.0893-0.0716-0.0477 ( 22302 PWs) bands (ev): -64.2915 -64.2915 -64.2910 -64.2910 -36.3602 -36.3602 -36.3588 -36.3588 -35.4116 -35.4116 -35.4111 -35.4111 -35.3486 -35.3486 -35.3453 -35.3453 -6.1812 -6.1812 -4.9472 -4.9472 -3.9935 -3.9935 -3.9454 -3.9454 -3.8895 -3.8895 -3.8752 -3.8752 -2.0317 -2.0317 -0.1433 -0.1433 1.6951 1.6951 1.9689 1.9689 2.1385 2.1385 2.2576 2.2576 2.5583 2.5583 2.8190 2.8190 3.3579 3.3579 4.6508 4.6508 4.7731 4.7731 4.8084 4.8084 4.9159 4.9159 5.2736 5.2736 5.3525 5.3525 5.5585 5.5585 5.9580 5.9580 6.5205 6.5205 6.6560 6.6560 6.7455 6.7455 6.8253 6.8253 6.8636 6.8636 6.9767 6.9767 7.0651 7.0651 7.0972 7.0972 8.3392 8.3392 8.4180 8.4180 8.5086 8.5086 8.7552 8.7552 k = 0.1071-0.0859-0.0572 ( 22303 PWs) bands (ev): -64.2917 -64.2917 -64.2909 -64.2909 -36.3602 -36.3602 -36.3589 -36.3589 -35.4116 -35.4116 -35.4112 -35.4112 -35.3485 -35.3485 -35.3453 -35.3453 -6.1695 -6.1695 -4.9408 -4.9408 -4.0228 -4.0228 -3.9546 -3.9546 -3.8979 -3.8979 -3.8789 -3.8789 -2.0112 -2.0112 -0.1447 -0.1447 1.7051 1.7051 1.9717 1.9717 2.1156 2.1156 2.2820 2.2820 2.5976 2.5976 2.8913 2.8913 3.3924 3.3924 4.6011 4.6011 4.7615 4.7615 4.7988 4.7988 4.9260 4.9260 5.2691 5.2691 5.3354 5.3354 5.5295 5.5295 5.9070 5.9070 6.4556 6.4556 6.6290 6.6290 6.7489 6.7489 6.8194 6.8194 6.8714 6.8714 6.9813 6.9813 7.0647 7.0647 7.1048 7.1048 8.3107 8.3107 8.4183 8.4183 8.5012 8.5012 8.7542 8.7542 k = 0.1250-0.1002-0.0668 ( 22304 PWs) bands (ev): -64.2918 -64.2918 -64.2908 -64.2908 -36.3601 -36.3601 -36.3589 -36.3589 -35.4116 -35.4116 -35.4112 -35.4112 -35.3485 -35.3485 -35.3454 -35.3454 -6.1558 -6.1558 -4.9332 -4.9332 -4.0561 -4.0561 -3.9645 -3.9645 -3.9079 -3.9079 -3.8838 -3.8838 -1.9879 -1.9879 -0.1462 -0.1462 1.7173 1.7173 1.9726 1.9726 2.0924 2.0924 2.3192 2.3192 2.6428 2.6428 2.9670 2.9670 3.4314 3.4314 4.5459 4.5459 4.7472 4.7472 4.7865 4.7865 4.9370 4.9370 5.2551 5.2551 5.3190 5.3190 5.4984 5.4984 5.8519 5.8519 6.3887 6.3887 6.6012 6.6012 6.7516 6.7516 6.8098 6.8098 6.8786 6.8786 6.9867 6.9867 7.0655 7.0655 7.1125 7.1125 8.2822 8.2822 8.4161 8.4161 8.4986 8.4986 8.7489 8.7489 k = 0.1429-0.1145-0.0763 ( 22314 PWs) bands (ev): -64.2922 -64.2922 -64.2908 -64.2908 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4113 -35.4113 -35.3484 -35.3484 -35.3455 -35.3455 -6.1400 -6.1400 -4.9246 -4.9246 -4.0930 -4.0930 -3.9751 -3.9751 -3.9193 -3.9193 -3.8900 -3.8900 -1.9623 -1.9623 -0.1476 -0.1476 1.7317 1.7317 1.9722 1.9722 2.0722 2.0722 2.3658 2.3658 2.6937 2.6937 3.0453 3.0453 3.4740 3.4740 4.4858 4.4858 4.7282 4.7282 4.7727 4.7727 4.9481 4.9481 5.2333 5.2333 5.2996 5.2996 5.4655 5.4655 5.7975 5.7975 6.3216 6.3216 6.5728 6.5728 6.7525 6.7525 6.7979 6.7979 6.8853 6.8853 6.9916 6.9916 7.0673 7.0673 7.1198 7.1198 8.2552 8.2552 8.4105 8.4105 8.4978 8.4978 8.7410 8.7410 k = 0.1607-0.1288-0.0859 ( 22307 PWs) bands (ev): -64.2923 -64.2923 -64.2905 -64.2905 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4113 -35.4113 -35.3483 -35.3483 -35.3455 -35.3455 -6.1223 -6.1223 -4.9150 -4.9150 -4.1332 -4.1332 -3.9861 -3.9861 -3.9318 -3.9318 -3.8974 -3.8974 -1.9348 -1.9348 -0.1488 -0.1488 1.7479 1.7479 1.9714 1.9714 2.0568 2.0568 2.4200 2.4200 2.7495 2.7495 3.1258 3.1258 3.5195 3.5195 4.4218 4.4218 4.7024 4.7024 4.7596 4.7596 4.9590 4.9590 5.2056 5.2056 5.2738 5.2738 5.4303 5.4303 5.7497 5.7497 6.2555 6.2555 6.5443 6.5443 6.7510 6.7510 6.7861 6.7861 6.8914 6.8914 6.9973 6.9973 7.0705 7.0705 7.1268 7.1268 8.2309 8.2309 8.4019 8.4019 8.4987 8.4987 8.7322 8.7322 k = 0.1786-0.1431-0.0954 ( 22315 PWs) bands (ev): -64.2924 -64.2924 -64.2906 -64.2906 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4113 -35.4113 -35.3483 -35.3483 -35.3456 -35.3456 -6.1026 -6.1026 -4.9045 -4.9045 -4.1762 -4.1762 -3.9974 -3.9974 -3.9452 -3.9452 -3.9062 -3.9062 -1.9059 -1.9059 -0.1497 -0.1497 1.7653 1.7653 1.9714 1.9714 2.0470 2.0470 2.4803 2.4803 2.8099 2.8099 3.2077 3.2077 3.5669 3.5669 4.3548 4.3548 4.6686 4.6686 4.7476 4.7476 4.9681 4.9681 5.1699 5.1699 5.2427 5.2427 5.3926 5.3926 5.7130 5.7130 6.1908 6.1908 6.5157 6.5157 6.7430 6.7430 6.7751 6.7751 6.8968 6.8968 7.0027 7.0027 7.0739 7.0739 7.1330 7.1330 8.2098 8.2098 8.3886 8.3886 8.4999 8.4999 8.7224 8.7224 k = 0.1964-0.1575-0.1050 ( 22315 PWs) bands (ev): -64.2923 -64.2923 -64.2908 -64.2908 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4113 -35.4113 -35.3482 -35.3482 -35.3456 -35.3456 -6.0810 -6.0810 -4.8931 -4.8931 -4.2217 -4.2217 -4.0090 -4.0090 -3.9593 -3.9593 -3.9161 -3.9161 -1.8759 -1.8759 -0.1504 -0.1504 1.7833 1.7833 1.9732 1.9732 2.0437 2.0437 2.5455 2.5455 2.8742 2.8742 3.2905 3.2905 3.6148 3.6148 4.2863 4.2863 4.6270 4.6270 4.7367 4.7367 4.9734 4.9734 5.1202 5.1202 5.2138 5.2138 5.3553 5.3553 5.6885 5.6885 6.1280 6.1280 6.4873 6.4873 6.7277 6.7277 6.7690 6.7690 6.9021 6.9021 7.0079 7.0079 7.0779 7.0779 7.1388 7.1388 8.1917 8.1917 8.3701 8.3701 8.5021 8.5021 8.7128 8.7128 k = 0.2143-0.1718-0.1145 ( 22315 PWs) bands (ev): -64.2924 -64.2924 -64.2907 -64.2907 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4113 -35.4113 -35.3482 -35.3482 -35.3457 -35.3457 -6.0576 -6.0576 -4.8811 -4.8811 -4.2690 -4.2690 -4.0206 -4.0206 -3.9739 -3.9739 -3.9271 -3.9271 -1.8452 -1.8452 -0.1508 -0.1508 1.8012 1.8012 1.9777 1.9777 2.0474 2.0474 2.6146 2.6146 2.9419 2.9419 3.3733 3.3733 3.6618 3.6618 4.2182 4.2182 4.5781 4.5781 4.7261 4.7261 4.9687 4.9687 5.0589 5.0589 5.1920 5.1920 5.3221 5.3221 5.6730 5.6730 6.0675 6.0675 6.4592 6.4592 6.7066 6.7066 6.7642 6.7642 6.9072 6.9072 7.0127 7.0127 7.0823 7.0823 7.1440 7.1440 8.1760 8.1760 8.3479 8.3479 8.5056 8.5056 8.7030 8.7030 k = 0.2321-0.1861-0.1240 ( 22321 PWs) bands (ev): -64.2926 -64.2926 -64.2908 -64.2908 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4113 -35.4113 -35.3481 -35.3481 -35.3458 -35.3458 -6.0325 -6.0325 -4.8685 -4.8685 -4.3178 -4.3178 -4.0324 -4.0324 -3.9889 -3.9889 -3.9390 -3.9390 -1.8144 -1.8144 -0.1508 -0.1508 1.8184 1.8184 1.9849 1.9849 2.0590 2.0590 2.6864 2.6864 3.0121 3.0121 3.4551 3.4551 3.7050 3.7050 4.1534 4.1534 4.5231 4.5231 4.7141 4.7141 4.9319 4.9319 5.0130 5.0130 5.1756 5.1756 5.2970 5.2970 5.6619 5.6619 6.0098 6.0098 6.4314 6.4314 6.6815 6.6815 6.7596 6.7596 6.9116 6.9116 7.0173 7.0173 7.0870 7.0870 7.1492 7.1492 8.1613 8.1613 8.3219 8.3219 8.5097 8.5097 8.6927 8.6927 k = 0.2500-0.2004-0.1336 ( 22319 PWs) bands (ev): -64.2925 -64.2925 -64.2908 -64.2908 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4113 -35.4113 -35.3481 -35.3481 -35.3458 -35.3458 -6.0058 -6.0058 -4.8555 -4.8555 -4.3675 -4.3675 -4.0442 -4.0442 -4.0041 -4.0041 -3.9515 -3.9515 -1.7837 -1.7837 -0.1505 -0.1505 1.8350 1.8350 1.9944 1.9944 2.0794 2.0794 2.7597 2.7597 3.0842 3.0842 3.5346 3.5346 3.7397 3.7397 4.0976 4.0976 4.4636 4.4636 4.6966 4.6966 4.8617 4.8617 4.9937 4.9937 5.1606 5.1606 5.2829 5.2829 5.6508 5.6508 5.9563 5.9563 6.4044 6.4044 6.6534 6.6534 6.7551 6.7551 6.9160 6.9160 7.0223 7.0223 7.0913 7.0913 7.1541 7.1541 8.1467 8.1467 8.2956 8.2956 8.5147 8.5147 8.6821 8.6821 k = 0.2679-0.2147-0.1431 ( 22310 PWs) bands (ev): -64.2922 -64.2922 -64.2908 -64.2908 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4113 -35.4113 -35.3480 -35.3480 -35.3458 -35.3458 -5.9777 -5.9777 -4.8425 -4.8425 -4.4175 -4.4175 -4.0560 -4.0560 -4.0194 -4.0194 -3.9645 -3.9645 -1.7536 -1.7536 -0.1499 -0.1499 1.8517 1.8517 2.0058 2.0058 2.1086 2.1086 2.8331 2.8331 3.1573 3.1573 3.6097 3.6097 3.7579 3.7579 4.0595 4.0595 4.4014 4.4014 4.6611 4.6611 4.7991 4.7991 4.9775 4.9775 5.1443 5.1443 5.2815 5.2815 5.6359 5.6359 5.9086 5.9086 6.3780 6.3780 6.6225 6.6225 6.7505 6.7505 6.9210 6.9210 7.0267 7.0267 7.0954 7.0954 7.1592 7.1592 8.1303 8.1303 8.2713 8.2713 8.5208 8.5208 8.6707 8.6707 k = 0.2857-0.2290-0.1527 ( 22293 PWs) bands (ev): -64.2921 -64.2921 -64.2904 -64.2904 -36.3599 -36.3599 -36.3591 -36.3591 -35.4116 -35.4116 -35.4113 -35.4113 -35.3478 -35.3478 -35.3458 -35.3458 -5.9481 -5.9481 -4.8300 -4.8300 -4.4670 -4.4670 -4.0680 -4.0680 -4.0346 -4.0346 -3.9776 -3.9776 -1.7243 -1.7243 -0.1491 -0.1491 1.8691 1.8691 2.0188 2.0188 2.1458 2.1458 2.9047 2.9047 3.2301 3.2301 3.6769 3.6769 3.7526 3.7526 4.0479 4.0479 4.3390 4.3390 4.5961 4.5961 4.7671 4.7671 4.9579 4.9579 5.1264 5.1264 5.2911 5.2911 5.6137 5.6137 5.8683 5.8683 6.3524 6.3524 6.5898 6.5898 6.7453 6.7453 6.9259 6.9259 7.0309 7.0309 7.1001 7.1001 7.1651 7.1651 8.1100 8.1100 8.2522 8.2522 8.5268 8.5268 8.6584 8.6584 k = 0.3036-0.2433-0.1622 ( 22298 PWs) bands (ev): -64.2921 -64.2921 -64.2905 -64.2905 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3478 -35.3478 -35.3459 -35.3459 -5.9175 -5.9175 -4.8187 -4.8187 -4.5149 -4.5149 -4.0803 -4.0803 -4.0493 -4.0493 -3.9904 -3.9904 -1.6963 -1.6963 -0.1481 -0.1481 1.8881 1.8881 2.0335 2.0335 2.1900 2.1900 2.9715 2.9715 3.3011 3.3011 3.7129 3.7129 3.7459 3.7459 4.0607 4.0607 4.2808 4.2808 4.5164 4.5164 4.7568 4.7568 4.9341 4.9341 5.1082 5.1082 5.3083 5.3083 5.5827 5.5827 5.8361 5.8361 6.3275 6.3275 6.5537 6.5537 6.7398 6.7398 6.9301 6.9301 7.0330 7.0330 7.1037 7.1037 7.1699 7.1699 8.0851 8.0851 8.2396 8.2396 8.5322 8.5322 8.6451 8.6451 k = 0.3214-0.2577-0.1717 ( 22299 PWs) bands (ev): -64.2920 -64.2920 -64.2907 -64.2907 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3478 -35.3478 -35.3460 -35.3460 -5.8859 -5.8859 -4.8099 -4.8099 -4.5597 -4.5597 -4.0931 -4.0931 -4.0632 -4.0632 -4.0028 -4.0028 -1.6698 -1.6698 -0.1469 -0.1469 1.9093 1.9093 2.0498 2.0498 2.2403 2.2403 3.0298 3.0298 3.3680 3.3680 3.6839 3.6839 3.7800 3.7800 4.0846 4.0846 4.2335 4.2335 4.4392 4.4392 4.7560 4.7560 4.9074 4.9074 5.0911 5.0911 5.3304 5.3304 5.5439 5.5439 5.8108 5.8108 6.3038 6.3038 6.5163 6.5163 6.7344 6.7344 6.9342 6.9342 7.0344 7.0344 7.1069 7.1069 7.1744 7.1744 8.0572 8.0572 8.2340 8.2340 8.5354 8.5354 8.6321 8.6321 k = 0.3393-0.2720-0.1813 ( 22300 PWs) bands (ev): -64.2920 -64.2920 -64.2908 -64.2908 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3477 -35.3477 -35.3460 -35.3460 -5.8538 -5.8538 -4.8060 -4.8060 -4.5987 -4.5987 -4.1066 -4.1066 -4.0758 -4.0758 -4.0145 -4.0145 -1.6450 -1.6450 -0.1457 -0.1457 1.9328 1.9328 2.0675 2.0675 2.2959 2.2959 3.0740 3.0740 3.4268 3.4268 3.6547 3.6547 3.7972 3.7972 4.1053 4.1053 4.2058 4.2058 4.3762 4.3762 4.7585 4.7585 4.8808 4.8808 5.0757 5.0757 5.3540 5.3540 5.5008 5.5008 5.7897 5.7897 6.2811 6.2811 6.4777 6.4777 6.7291 6.7291 6.9382 6.9382 7.0346 7.0346 7.1106 7.1106 7.1790 7.1790 8.0284 8.0284 8.2343 8.2343 8.5350 8.5350 8.6207 8.6207 k = 0.3571-0.2863-0.1908 ( 22316 PWs) bands (ev): -64.2921 -64.2921 -64.2912 -64.2912 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4114 -35.4114 -35.3477 -35.3477 -35.3461 -35.3461 -5.8214 -5.8214 -4.8100 -4.8100 -4.6285 -4.6285 -4.1210 -4.1210 -4.0868 -4.0868 -4.0251 -4.0251 -1.6223 -1.6223 -0.1444 -0.1444 1.9587 1.9587 2.0862 2.0862 2.3562 2.3562 3.0982 3.0982 3.4715 3.4715 3.6379 3.6379 3.7943 3.7943 4.1137 4.1137 4.1980 4.1980 4.3390 4.3390 4.7575 4.7575 4.8609 4.8609 5.0625 5.0625 5.3720 5.3720 5.4617 5.4617 5.7698 5.7698 6.2595 6.2595 6.4378 6.4378 6.7239 6.7239 6.9418 6.9418 7.0334 7.0334 7.1138 7.1138 7.1828 7.1828 8.0002 8.0002 8.2394 8.2394 8.5293 8.5293 8.6116 8.6116 k = 0.3750-0.3006-0.2004 ( 22314 PWs) bands (ev): -64.2921 -64.2921 -64.2912 -64.2912 -36.3599 -36.3599 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3476 -35.3476 -35.3461 -35.3461 -5.7893 -5.7893 -4.8248 -4.8248 -4.6460 -4.6460 -4.1359 -4.1359 -4.0964 -4.0964 -4.0347 -4.0347 -1.6017 -1.6017 -0.1431 -0.1431 1.9865 1.9865 2.1055 2.1055 2.4209 2.4209 3.0996 3.0996 3.4920 3.4920 3.6327 3.6327 3.7889 3.7889 4.1123 4.1123 4.1976 4.1976 4.3334 4.3334 4.7440 4.7440 4.8572 4.8572 5.0526 5.0526 5.3627 5.3627 5.4499 5.4499 5.7493 5.7493 6.2392 6.2392 6.3993 6.3993 6.7189 6.7189 6.9462 6.9462 7.0313 7.0313 7.1175 7.1175 7.1863 7.1863 7.9754 7.9754 8.2491 8.2492 8.5189 8.5189 8.6059 8.6059 k = 0.3929-0.3149-0.2099 ( 22339 PWs) bands (ev): -64.2926 -64.2926 -64.2915 -64.2915 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3476 -35.3476 -35.3463 -35.3463 -5.7581 -5.7581 -4.8491 -4.8491 -4.6519 -4.6519 -4.1507 -4.1507 -4.1044 -4.1044 -4.0431 -4.0431 -1.5836 -1.5836 -0.1419 -0.1419 2.0158 2.0158 2.1245 2.1245 2.4895 2.4895 3.0813 3.0813 3.4756 3.4756 3.6346 3.6346 3.8022 3.8022 4.1072 4.1072 4.2023 4.2023 4.3457 4.3457 4.7181 4.7181 4.8686 4.8686 5.0478 5.0478 5.3241 5.3241 5.4677 5.4677 5.7265 5.7265 6.2200 6.2200 6.3615 6.3615 6.7141 6.7141 6.9497 6.9497 7.0276 7.0276 7.1200 7.1200 7.1887 7.1887 7.9530 7.9530 8.2624 8.2624 8.5040 8.5040 8.6013 8.6013 k = 0.4107-0.3292-0.2194 ( 22339 PWs) bands (ev): -64.2924 -64.2924 -64.2917 -64.2917 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3476 -35.3476 -35.3463 -35.3463 -5.7286 -5.7286 -4.8783 -4.8783 -4.6503 -4.6503 -4.1647 -4.1647 -4.1112 -4.1112 -4.0502 -4.0502 -1.5680 -1.5680 -0.1408 -0.1408 2.0456 2.0456 2.1425 2.1425 2.5617 2.5617 3.0509 3.0509 3.4226 3.4226 3.6405 3.6405 3.8370 3.8370 4.1083 4.1083 4.2112 4.2112 4.3587 4.3587 4.6888 4.6888 4.8855 4.8855 5.0515 5.0515 5.2797 5.2797 5.4925 5.4925 5.7012 5.7012 6.2022 6.2022 6.3276 6.3276 6.7107 6.7107 6.9539 6.9539 7.0234 7.0234 7.1238 7.1238 7.1907 7.1907 7.9354 7.9354 8.2793 8.2793 8.4877 8.4877 8.5966 8.5966 k = 0.4286-0.3436-0.2290 ( 22342 PWs) bands (ev): -64.2925 -64.2925 -64.2917 -64.2917 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3476 -35.3476 -35.3464 -35.3464 -5.7017 -5.7017 -4.9078 -4.9078 -4.6453 -4.6453 -4.1774 -4.1774 -4.1166 -4.1166 -4.0560 -4.0560 -1.5551 -1.5551 -0.1399 -0.1399 2.0745 2.0745 2.1585 2.1585 2.6367 2.6367 3.0162 3.0162 3.3483 3.3483 3.6428 3.6428 3.8849 3.8849 4.1199 4.1199 4.2202 4.2202 4.3626 4.3626 4.6626 4.6626 4.8992 4.8992 5.0661 5.0661 5.2378 5.2378 5.5166 5.5166 5.6742 5.6742 6.1856 6.1856 6.2987 6.2987 6.7075 6.7075 6.9580 6.9580 7.0190 7.0190 7.1260 7.1260 7.1922 7.1922 7.9213 7.9213 8.2991 8.2991 8.4714 8.4714 8.5898 8.5898 k = 0.4464-0.3579-0.2385 ( 22352 PWs) bands (ev): -64.2927 -64.2927 -64.2919 -64.2919 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3476 -35.3476 -35.3464 -35.3464 -5.6787 -5.6787 -4.9343 -4.9343 -4.6394 -4.6394 -4.1882 -4.1882 -4.1209 -4.1209 -4.0605 -4.0605 -1.5449 -1.5449 -0.1391 -0.1391 2.1010 2.1010 2.1715 2.1715 2.7136 2.7136 2.9839 2.9839 3.2646 3.2646 3.6392 3.6392 3.9390 3.9390 4.1369 4.1369 4.2283 4.2283 4.3539 4.3539 4.6429 4.6429 4.9066 4.9066 5.0899 5.0899 5.2019 5.2019 5.5361 5.5361 5.6478 5.6478 6.1707 6.1707 6.2756 6.2756 6.7048 6.7048 6.9616 6.9616 7.0147 7.0147 7.1278 7.1278 7.1929 7.1929 7.9110 7.9110 8.3206 8.3206 8.4552 8.4552 8.5803 8.5803 k = 0.4643-0.3722-0.2481 ( 22333 PWs) bands (ev): -64.2924 -64.2924 -64.2915 -64.2915 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6609 -5.6609 -4.9552 -4.9552 -4.6341 -4.6341 -4.1963 -4.1963 -4.1240 -4.1240 -4.0638 -4.0638 -1.5376 -1.5376 -0.1386 -0.1386 2.1229 2.1229 2.1808 2.1808 2.7890 2.7890 2.9611 2.9611 3.1779 3.1779 3.6328 3.6328 3.9938 3.9938 4.1486 4.1486 4.2388 4.2388 4.3345 4.3345 4.6307 4.6307 4.9096 4.9096 5.1151 5.1151 5.1758 5.1758 5.5479 5.5479 5.6269 5.6269 6.1586 6.1586 6.2601 6.2601 6.7030 6.7030 6.9659 6.9659 7.0113 7.0113 7.1305 7.1305 7.1944 7.1944 7.9045 7.9045 8.3428 8.3428 8.4410 8.4410 8.5700 8.5700 k = 0.4821-0.3865-0.2576 ( 22327 PWs) bands (ev): -64.2922 -64.2922 -64.2915 -64.2915 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3474 -35.3474 -35.3464 -35.3464 -5.6495 -5.6495 -4.9685 -4.9685 -4.6306 -4.6306 -4.2015 -4.2015 -4.1258 -4.1258 -4.0657 -4.0657 -1.5332 -1.5332 -0.1382 -0.1382 2.1378 2.1378 2.1860 2.1860 2.8506 2.8506 2.9612 2.9612 3.0933 3.0933 3.6273 3.6273 4.0417 4.0417 4.1451 4.1451 4.2559 4.2559 4.3098 4.3098 4.6240 4.6240 4.9106 4.9106 5.1292 5.1292 5.1654 5.1654 5.5504 5.5504 5.6160 5.6160 6.1503 6.1503 6.2506 6.2506 6.7022 6.7022 6.9689 6.9689 7.0087 7.0087 7.1314 7.1314 7.1951 7.1951 7.9008 7.9008 8.3622 8.3622 8.4280 8.4280 8.5609 8.5609 k = 0.5000-0.4008-0.2672 ( 22340 PWs) bands (ev): -64.2923 -64.2923 -64.2919 -64.2919 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6456 -5.6456 -4.9731 -4.9731 -4.6294 -4.6294 -4.2032 -4.2032 -4.1264 -4.1264 -4.0663 -4.0663 -1.5317 -1.5317 -0.1381 -0.1381 2.1432 2.1432 2.1875 2.1875 2.8722 2.8722 2.9921 2.9921 3.0327 3.0327 3.6252 3.6252 4.0651 4.0651 4.1366 4.1366 4.2720 4.2720 4.2911 4.2911 4.6219 4.6219 4.9108 4.9108 5.1305 5.1305 5.1661 5.1661 5.5493 5.5493 5.6134 5.6134 6.1472 6.1472 6.2473 6.2473 6.7020 6.7020 6.9695 6.9695 7.0069 7.0069 7.1314 7.1314 7.1942 7.1942 7.8993 7.8993 8.3712 8.3712 8.4211 8.4211 8.5569 8.5569 k = 0.5000-0.4008-0.2672 ( 22340 PWs) bands (ev): -64.2923 -64.2923 -64.2919 -64.2919 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6456 -5.6456 -4.9731 -4.9731 -4.6294 -4.6294 -4.2032 -4.2032 -4.1264 -4.1264 -4.0663 -4.0663 -1.5317 -1.5317 -0.1381 -0.1381 2.1432 2.1432 2.1875 2.1875 2.8722 2.8722 2.9921 2.9921 3.0327 3.0327 3.6252 3.6252 4.0651 4.0651 4.1366 4.1366 4.2720 4.2720 4.2911 4.2911 4.6219 4.6219 4.9108 4.9108 5.1305 5.1305 5.1661 5.1661 5.5493 5.5493 5.6134 5.6134 6.1472 6.1472 6.2473 6.2473 6.7020 6.7020 6.9695 6.9695 7.0069 7.0069 7.1314 7.1314 7.1942 7.1942 7.8993 7.8993 8.3712 8.3712 8.4211 8.4211 8.5569 8.5569 k = 0.5000-0.3873-0.2875 ( 22334 PWs) bands (ev): -64.2923 -64.2923 -64.2917 -64.2917 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6449 -5.6449 -4.9723 -4.9723 -4.6291 -4.6291 -4.2033 -4.2033 -4.1292 -4.1292 -4.0670 -4.0670 -1.5298 -1.5298 -0.1367 -0.1367 2.1380 2.1380 2.1938 2.1938 2.8701 2.8701 2.9895 2.9895 3.0321 3.0321 3.6224 3.6224 4.0693 4.0693 4.1369 4.1369 4.2679 4.2679 4.3007 4.3007 4.6223 4.6223 4.9078 4.9078 5.1203 5.1203 5.1776 5.1776 5.5361 5.5361 5.6292 5.6292 6.1456 6.1456 6.2481 6.2481 6.7006 6.7006 6.9661 6.9661 7.0092 7.0092 7.1308 7.1308 7.1943 7.1943 7.9024 7.9024 8.3613 8.3613 8.4268 8.4268 8.5566 8.5566 k = 0.5000-0.3737-0.3078 ( 22332 PWs) bands (ev): -64.2924 -64.2924 -64.2915 -64.2915 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3474 -35.3474 -35.3464 -35.3464 -5.6427 -5.6427 -4.9697 -4.9697 -4.6284 -4.6284 -4.2040 -4.2040 -4.1371 -4.1371 -4.0694 -4.0694 -1.5240 -1.5240 -0.1325 -0.1325 2.1272 2.1272 2.2079 2.2079 2.8636 2.8636 2.9825 2.9825 3.0299 3.0299 3.6144 3.6144 4.0804 4.0804 4.1390 4.1390 4.2642 4.2642 4.3204 4.3204 4.6234 4.6234 4.8992 4.8992 5.1034 5.1034 5.1976 5.1976 5.5144 5.5144 5.6593 5.6593 6.1404 6.1404 6.2504 6.2504 6.6976 6.6976 6.9571 6.9571 7.0136 7.0136 7.1285 7.1285 7.1932 7.1932 7.9106 7.9106 8.3377 8.3377 8.4373 8.4373 8.5558 8.5558 k = 0.5000-0.3601-0.3282 ( 22336 PWs) bands (ev): -64.2925 -64.2925 -64.2915 -64.2915 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3474 -35.3474 -35.3465 -35.3465 -5.6391 -5.6391 -4.9655 -4.9655 -4.6273 -4.6273 -4.2064 -4.2064 -4.1481 -4.1481 -4.0738 -4.0738 -1.5147 -1.5147 -0.1257 -0.1257 2.1157 2.1157 2.2252 2.2252 2.8519 2.8519 2.9734 2.9734 3.0255 3.0255 3.6020 3.6020 4.0940 4.0940 4.1465 4.1465 4.2649 4.2649 4.3450 4.3450 4.6249 4.6249 4.8862 4.8862 5.0868 5.0868 5.2163 5.2163 5.4981 5.4981 5.6910 5.6910 6.1317 6.1317 6.2543 6.2543 6.6927 6.6927 6.9443 6.9443 7.0176 7.0176 7.1247 7.1247 7.1907 7.1907 7.9238 7.9238 8.3069 8.3069 8.4471 8.4471 8.5557 8.5557 k = 0.5000-0.3466-0.3485 ( 22328 PWs) bands (ev): -64.2924 -64.2924 -64.2913 -64.2913 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3474 -35.3474 -35.3465 -35.3465 -5.6341 -5.6341 -4.9596 -4.9596 -4.6258 -4.6258 -4.2131 -4.2131 -4.1590 -4.1590 -4.0805 -4.0805 -1.5021 -1.5021 -0.1164 -0.1164 2.1054 2.1054 2.2441 2.2441 2.8341 2.8341 2.9638 2.9638 3.0193 3.0193 3.5861 3.5861 4.1050 4.1050 4.1635 4.1635 4.2703 4.2703 4.3730 4.3730 4.6262 4.6262 4.8701 4.8701 5.0709 5.0709 5.2300 5.2300 5.4922 5.4922 5.7206 5.7206 6.1199 6.1199 6.2606 6.2606 6.6859 6.6859 6.9295 6.9295 7.0225 7.0225 7.1198 7.1198 7.1890 7.1890 7.9416 7.9416 8.2712 8.2712 8.4549 8.4549 8.5572 8.5572 k = 0.5000-0.3330-0.3688 ( 22318 PWs) bands (ev): -64.2924 -64.2924 -64.2910 -64.2910 -36.3597 -36.3597 -36.3595 -36.3595 -35.4116 -35.4116 -35.4115 -35.4115 -35.3473 -35.3473 -35.3465 -35.3465 -5.6278 -5.6278 -4.9520 -4.9520 -4.6240 -4.6240 -4.2275 -4.2275 -4.1654 -4.1654 -4.0897 -4.0897 -1.4868 -1.4868 -0.1051 -0.1051 2.0972 2.0972 2.2641 2.2641 2.8103 2.8103 2.9536 2.9536 3.0128 3.0128 3.5672 3.5672 4.1135 4.1135 4.1877 4.1877 4.2806 4.2806 4.4035 4.4035 4.6266 4.6266 4.8528 4.8528 5.0554 5.0554 5.2372 5.2372 5.4986 5.4986 5.7459 5.7459 6.1055 6.1055 6.2701 6.2701 6.6769 6.6769 6.9120 6.9120 7.0262 7.0262 7.1143 7.1143 7.1866 7.1866 7.9628 7.9628 8.2331 8.2331 8.4601 8.4601 8.5625 8.5625 k = 0.5000-0.3195-0.3892 ( 22342 PWs) bands (ev): -64.2926 -64.2926 -64.2916 -64.2916 -36.3598 -36.3598 -36.3595 -36.3595 -35.4116 -35.4116 -35.4116 -35.4116 -35.3474 -35.3474 -35.3466 -35.3466 -5.6202 -5.6202 -4.9428 -4.9428 -4.6223 -4.6223 -4.2500 -4.2500 -4.1666 -4.1666 -4.1011 -4.1011 -1.4693 -1.4693 -0.0921 -0.0921 2.0917 2.0917 2.2848 2.2848 2.7815 2.7815 2.9418 2.9418 3.0084 3.0084 3.5455 3.5455 4.1220 4.1220 4.2140 4.2140 4.2959 4.2959 4.4352 4.4352 4.6249 4.6249 4.8360 4.8360 5.0398 5.0398 5.2392 5.2392 5.5153 5.5153 5.7654 5.7654 6.0884 6.0884 6.2813 6.2813 6.6647 6.6647 6.8918 6.8918 7.0277 7.0277 7.1073 7.1073 7.1820 7.1820 7.9854 7.9854 8.1941 8.1941 8.4612 8.4612 8.5710 8.5710 k = 0.5000-0.3059-0.4095 ( 22316 PWs) bands (ev): -64.2923 -64.2923 -64.2910 -64.2910 -36.3597 -36.3597 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3472 -35.3472 -35.3465 -35.3465 -5.6115 -5.6115 -4.9321 -4.9321 -4.6207 -4.6207 -4.2781 -4.2781 -4.1644 -4.1644 -4.1144 -4.1144 -1.4503 -1.4503 -0.0779 -0.0779 2.0897 2.0897 2.3058 2.3058 2.7492 2.7492 2.9278 2.9278 3.0073 3.0073 3.5212 3.5212 4.1321 4.1321 4.2385 4.2385 4.3169 4.3169 4.4676 4.4676 4.6205 4.6205 4.8219 4.8219 5.0243 5.0243 5.2388 5.2388 5.5387 5.5387 5.7788 5.7788 6.0709 6.0709 6.2964 6.2964 6.6509 6.6509 6.8708 6.8708 7.0309 7.0309 7.1019 7.1019 7.1794 7.1794 8.0089 8.0089 8.1581 8.1581 8.4594 8.4594 8.5852 8.5852 k = 0.5000-0.2924-0.4299 ( 22316 PWs) bands (ev): -64.2922 -64.2922 -64.2912 -64.2912 -36.3597 -36.3597 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3472 -35.3472 -35.3466 -35.3466 -5.6018 -5.6018 -4.9197 -4.9197 -4.6196 -4.6196 -4.3098 -4.3098 -4.1602 -4.1602 -4.1289 -4.1289 -1.4304 -1.4304 -0.0630 -0.0630 2.0915 2.0915 2.3265 2.3265 2.7153 2.7153 2.9120 2.9120 3.0097 3.0097 3.4948 3.4948 4.1427 4.1427 4.2591 4.2591 4.3426 4.3426 4.4990 4.4990 4.6133 4.6133 4.8116 4.8116 5.0086 5.0086 5.2381 5.2381 5.5640 5.5640 5.7855 5.7855 6.0535 6.0535 6.3130 6.3130 6.6355 6.6355 6.8475 6.8475 7.0323 7.0323 7.0965 7.0965 7.1760 7.1760 8.0287 8.0287 8.1279 8.1279 8.4529 8.4529 8.6019 8.6019 k = 0.5000-0.2788-0.4502 ( 22314 PWs) bands (ev): -64.2920 -64.2920 -64.2913 -64.2913 -36.3597 -36.3597 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3472 -35.3472 -35.3466 -35.3466 -5.5912 -5.5912 -4.9059 -4.9059 -4.6193 -4.6193 -4.3438 -4.3438 -4.1555 -4.1555 -4.1434 -4.1434 -1.4103 -1.4103 -0.0479 -0.0479 2.0978 2.0978 2.3456 2.3456 2.6823 2.6823 2.8956 2.8956 3.0148 3.0148 3.4670 3.4670 4.1528 4.1528 4.2752 4.2752 4.3715 4.3715 4.5273 4.5273 4.6059 4.6059 4.8054 4.8054 4.9932 4.9932 5.2382 5.2382 5.5872 5.5872 5.7861 5.7861 6.0376 6.0376 6.3308 6.3308 6.6190 6.6190 6.8224 6.8224 7.0342 7.0342 7.0916 7.0916 7.1726 7.1726 8.0378 8.0378 8.1123 8.1123 8.4425 8.4425 8.6213 8.6213 k = 0.5000-0.2652-0.4705 ( 22300 PWs) bands (ev): -64.2918 -64.2918 -64.2910 -64.2910 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4115 -35.4115 -35.3471 -35.3471 -35.3466 -35.3466 -5.5800 -5.5800 -4.8907 -4.8907 -4.6203 -4.6203 -4.3793 -4.3793 -4.1620 -4.1620 -4.1457 -4.1457 -1.3908 -1.3908 -0.0332 -0.0332 2.1090 2.1090 2.3608 2.3608 2.6535 2.6535 2.8795 2.8795 3.0217 3.0217 3.4388 3.4388 4.1608 4.1608 4.2863 4.2863 4.4017 4.4017 4.5463 4.5463 4.6064 4.6064 4.8028 4.8028 4.9780 4.9780 5.2392 5.2392 5.6043 5.6043 5.7825 5.7825 6.0247 6.0247 6.3497 6.3497 6.6028 6.6028 6.7964 6.7964 7.0361 7.0361 7.0876 7.0876 7.1696 7.1696 8.0307 8.0307 8.1176 8.1176 8.4280 8.4280 8.6409 8.6409 k = 0.5000-0.2517-0.4909 ( 22300 PWs) bands (ev): -64.2917 -64.2917 -64.2911 -64.2911 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3471 -35.3471 -35.3466 -35.3466 -5.5683 -5.5683 -4.8742 -4.8742 -4.6228 -4.6228 -4.4154 -4.4154 -4.1764 -4.1764 -4.1386 -4.1386 -1.3724 -1.3724 -0.0193 -0.0193 2.1253 2.1253 2.3685 2.3685 2.6335 2.6335 2.8645 2.8645 3.0296 3.0296 3.4116 3.4116 4.1645 4.1645 4.2921 4.2921 4.4314 4.4314 4.5512 4.5512 4.6218 4.6218 4.8023 4.8023 4.9631 4.9631 5.2405 5.2405 5.6121 5.6121 5.7769 5.7769 6.0150 6.0150 6.3674 6.3674 6.5871 6.5871 6.7698 6.7698 7.0380 7.0380 7.0846 7.0846 7.1663 7.1663 8.0172 8.0172 8.1335 8.1335 8.4084 8.4084 8.6572 8.6572 k = 0.5000-0.2381-0.5112 ( 22304 PWs) bands (ev): -64.2918 -64.2918 -64.2912 -64.2912 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3470 -35.3470 -35.3467 -35.3467 -5.5566 -5.5566 -4.8565 -4.8565 -4.6275 -4.6275 -4.4513 -4.4513 -4.1899 -4.1899 -4.1302 -4.1302 -1.3557 -1.3557 -0.0066 -0.0066 2.1470 2.1470 2.3647 2.3647 2.6270 2.6270 2.8510 2.8510 3.0376 3.0376 3.3868 3.3868 4.1617 4.1617 4.2934 4.2934 4.4583 4.4583 4.5508 4.5508 4.6451 4.6451 4.8027 4.8027 4.9481 4.9481 5.2413 5.2413 5.6092 5.6092 5.7714 5.7714 6.0083 6.0083 6.3838 6.3838 6.5737 6.5737 6.7435 6.7435 7.0400 7.0400 7.0829 7.0829 7.1633 7.1633 8.0064 8.0064 8.1510 8.1510 8.3846 8.3846 8.6675 8.6675 k = 0.5000-0.2246-0.5316 ( 22298 PWs) bands (ev): -64.2917 -64.2917 -64.2910 -64.2910 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3469 -35.3469 -35.3467 -35.3467 -5.5451 -5.5451 -4.8380 -4.8380 -4.6344 -4.6344 -4.4863 -4.4863 -4.2015 -4.2015 -4.1210 -4.1210 -1.3412 -1.3412 0.0044 0.0044 2.1739 2.1739 2.3482 2.3482 2.6358 2.6358 2.8387 2.8387 3.0452 3.0452 3.3664 3.3664 4.1499 4.1499 4.2928 4.2928 4.4800 4.4800 4.5529 4.5529 4.6690 4.6690 4.8030 4.8030 4.9330 4.9330 5.2404 5.2404 5.5977 5.5977 5.7662 5.7662 6.0035 6.0035 6.3979 6.3979 6.5642 6.5642 6.7186 6.7186 7.0431 7.0431 7.0831 7.0831 7.1613 7.1613 8.0016 8.0016 8.1670 8.1670 8.3582 8.3582 8.6715 8.6715 k = 0.5000-0.2110-0.5519 ( 22294 PWs) bands (ev): -64.2915 -64.2915 -64.2911 -64.2911 -36.3595 -36.3595 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3469 -35.3469 -35.3468 -35.3468 -5.5342 -5.5342 -4.8192 -4.8192 -4.6437 -4.6437 -4.5197 -4.5197 -4.2103 -4.2103 -4.1111 -4.1111 -1.3293 -1.3293 0.0133 0.0133 2.2057 2.2057 2.3221 2.3221 2.6575 2.6575 2.8273 2.8273 3.0522 3.0522 3.3519 3.3519 4.1281 4.1281 4.2925 4.2925 4.4946 4.4946 4.5588 4.5588 4.6902 4.6902 4.8027 4.8027 4.9174 4.9174 5.2369 5.2369 5.5820 5.5820 5.7601 5.7601 5.9988 5.9988 6.4087 6.4087 6.5603 6.5603 6.6963 6.6963 7.0461 7.0461 7.0846 7.0846 7.1594 7.1594 8.0027 8.0027 8.1787 8.1787 8.3319 8.3319 8.6711 8.6711 k = 0.5000-0.1975-0.5722 ( 22296 PWs) bands (ev): -64.2916 -64.2916 -64.2911 -64.2911 -36.3595 -36.3595 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3469 -35.3469 -35.3468 -35.3468 -5.5244 -5.5244 -4.8008 -4.8008 -4.6545 -4.6545 -4.5507 -4.5507 -4.2160 -4.2160 -4.1007 -4.1007 -1.3204 -1.3204 0.0201 0.0201 2.2392 2.2392 2.2931 2.2931 2.6879 2.6879 2.8161 2.8161 3.0592 3.0592 3.3445 3.3445 4.0977 4.0977 4.2931 4.2931 4.5018 4.5018 4.5661 4.5661 4.7057 4.7057 4.8022 4.8022 4.9004 4.9004 5.2298 5.2298 5.5674 5.5674 5.7520 5.7520 5.9925 5.9925 6.4164 6.4164 6.5615 6.5615 6.6774 6.6774 7.0496 7.0496 7.0880 7.0880 7.1585 7.1585 8.0084 8.0084 8.1817 8.1817 8.3122 8.3122 8.6683 8.6683 k = 0.5000-0.1839-0.5926 ( 22294 PWs) bands (ev): -64.2914 -64.2914 -64.2913 -64.2913 -36.3595 -36.3595 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3468 -35.3468 -35.3468 -35.3468 -5.5162 -5.5162 -4.7851 -4.7851 -4.6650 -4.6650 -4.5787 -4.5787 -4.2183 -4.2183 -4.0898 -4.0898 -1.3146 -1.3146 0.0245 0.0245 2.2416 2.2416 2.2966 2.2966 2.7227 2.7227 2.8050 2.8050 3.0680 3.0680 3.3447 3.3447 4.0608 4.0608 4.2939 4.2939 4.5024 4.5024 4.5718 4.5718 4.7119 4.7119 4.8035 4.8035 4.8818 4.8818 5.2189 5.2189 5.5582 5.5582 5.7418 5.7418 5.9834 5.9834 6.4214 6.4214 6.5685 6.5685 6.6633 6.6633 7.0527 7.0527 7.0924 7.0924 7.1585 7.1585 8.0155 8.0155 8.1747 8.1747 8.3060 8.3060 8.6650 8.6651 k = 0.5000-0.1703-0.6129 ( 22308 PWs) bands (ev): -64.2917 -64.2917 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3470 -35.3470 -35.3468 -35.3468 -5.5102 -5.5102 -4.7759 -4.7759 -4.6706 -4.6706 -4.6030 -4.6030 -4.2173 -4.2173 -4.0785 -4.0785 -1.3122 -1.3122 0.0265 0.0265 2.2085 2.2085 2.3383 2.3383 2.7536 2.7536 2.7984 2.7984 3.0813 3.0813 3.3516 3.3516 4.0196 4.0196 4.2938 4.2938 4.4964 4.4964 4.5743 4.5743 4.7065 4.7065 4.8070 4.8070 4.8614 4.8614 5.2042 5.2042 5.5567 5.5567 5.7297 5.7297 5.9714 5.9714 6.4238 6.4238 6.5795 6.5795 6.6539 6.6539 7.0554 7.0554 7.0971 7.0971 7.1598 7.1598 8.0167 8.0167 8.1652 8.1652 8.3130 8.3130 8.6613 8.6613 k = 0.5000-0.1568-0.6333 ( 22308 PWs) bands (ev): -64.2916 -64.2916 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4114 -35.4114 -35.3470 -35.3470 -35.3467 -35.3467 -5.5069 -5.5069 -4.7780 -4.7780 -4.6665 -4.6665 -4.6228 -4.6228 -4.2131 -4.2131 -4.0668 -4.0668 -1.3132 -1.3132 0.0262 0.0262 2.1721 2.1721 2.3861 2.3861 2.7565 2.7565 2.8179 2.8179 3.1018 3.1018 3.3644 3.3644 3.9760 3.9760 4.2915 4.2915 4.4830 4.4830 4.5734 4.5734 4.6908 4.6908 4.8065 4.8065 4.8448 4.8448 5.1864 5.1864 5.5627 5.5627 5.7174 5.7174 5.9574 5.9574 6.4247 6.4247 6.5938 6.5938 6.6509 6.6509 7.0588 7.0588 7.1022 7.1022 7.1637 7.1637 8.0036 8.0036 8.1674 8.1674 8.3296 8.3296 8.6577 8.6577 k = 0.5000-0.1432-0.6536 ( 22302 PWs) bands (ev): -64.2915 -64.2915 -64.2915 -64.2915 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3471 -35.3471 -35.3467 -35.3467 -5.5068 -5.5068 -4.7917 -4.7917 -4.6538 -4.6538 -4.6358 -4.6358 -4.2061 -4.2061 -4.0549 -4.0549 -1.3175 -1.3175 0.0236 0.0236 2.1361 2.1361 2.4350 2.4350 2.7406 2.7406 2.8535 2.8535 3.1313 3.1313 3.3817 3.3817 3.9314 3.9314 4.2860 4.2860 4.4616 4.4616 4.5685 4.5685 4.6683 4.6683 4.7886 4.7886 4.8442 4.8442 5.1665 5.1665 5.5724 5.5724 5.7075 5.7075 5.9427 5.9427 6.4246 6.4246 6.6090 6.6090 6.6550 6.6550 7.0617 7.0617 7.1061 7.1061 7.1709 7.1709 7.9758 7.9758 8.1841 8.1841 8.3534 8.3534 8.6541 8.6541 k = 0.5000-0.1297-0.6739 ( 22290 PWs) bands (ev): -64.2913 -64.2913 -64.2913 -64.2913 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4113 -35.4113 -35.3471 -35.3471 -35.3466 -35.3466 -5.5101 -5.5101 -4.8129 -4.8129 -4.6517 -4.6517 -4.6260 -4.6260 -4.1966 -4.1966 -4.0427 -4.0427 -1.3251 -1.3251 0.0191 0.0191 2.1015 2.1015 2.4816 2.4816 2.7224 2.7224 2.8900 2.8900 3.1700 3.1700 3.4024 3.4024 3.8867 3.8867 4.2767 4.2767 4.4323 4.4323 4.5580 4.5580 4.6431 4.6431 4.7606 4.7606 4.8526 4.8526 5.1456 5.1456 5.5786 5.5786 5.7055 5.7055 5.9291 5.9291 6.4244 6.4244 6.6230 6.6230 6.6672 6.6672 7.0646 7.0646 7.1092 7.1092 7.1805 7.1805 7.9405 7.9405 8.2090 8.2090 8.3835 8.3835 8.6500 8.6500 k = 0.5000-0.1161-0.6943 ( 22300 PWs) bands (ev): -64.2916 -64.2916 -64.2913 -64.2913 -36.3597 -36.3597 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3472 -35.3472 -35.3466 -35.3466 -5.5173 -5.5173 -4.8384 -4.8384 -4.6546 -4.6546 -4.6015 -4.6015 -4.1851 -4.1851 -4.0303 -4.0303 -1.3359 -1.3359 0.0128 0.0128 2.0689 2.0689 2.5196 2.5196 2.7092 2.7092 2.9247 2.9247 3.2167 3.2167 3.4255 3.4255 3.8430 3.8430 4.2632 4.2632 4.3955 4.3955 4.5384 4.5384 4.6188 4.6188 4.7321 4.7321 4.8631 4.8631 5.1245 5.1245 5.5743 5.5743 5.7152 5.7152 5.9181 5.9181 6.4249 6.4249 6.6336 6.6336 6.6858 6.6858 7.0662 7.0662 7.1111 7.1111 7.1908 7.1908 7.9024 7.9024 8.2347 8.2347 8.4201 8.4201 8.6445 8.6445 k = 0.7779 0.0173-0.3743 ( 22300 PWs) bands (ev): -64.2916 -64.2916 -64.2913 -64.2913 -36.3597 -36.3597 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3472 -35.3472 -35.3466 -35.3466 -5.5173 -5.5173 -4.8384 -4.8384 -4.6546 -4.6546 -4.6015 -4.6015 -4.1852 -4.1852 -4.0303 -4.0303 -1.3359 -1.3359 0.0128 0.0128 2.0689 2.0689 2.5196 2.5196 2.7092 2.7092 2.9247 2.9247 3.2167 3.2167 3.4256 3.4256 3.8430 3.8430 4.2632 4.2632 4.3955 4.3955 4.5384 4.5384 4.6188 4.6188 4.7321 4.7321 4.8631 4.8631 5.1245 5.1245 5.5743 5.5743 5.7152 5.7152 5.9181 5.9181 6.4249 6.4249 6.6336 6.6336 6.6858 6.6858 7.0662 7.0662 7.1111 7.1111 7.1908 7.1908 7.9024 7.9024 8.2346 8.2346 8.4201 8.4201 8.6445 8.6445 k = 0.7672 0.0258-0.3538 ( 22298 PWs) bands (ev): -64.2916 -64.2916 -64.2913 -64.2913 -36.3597 -36.3597 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3473 -35.3473 -35.3465 -35.3465 -5.5283 -5.5283 -4.8667 -4.8667 -4.6522 -4.6522 -4.5734 -4.5734 -4.1718 -4.1718 -4.0177 -4.0177 -1.3499 -1.3499 0.0049 0.0049 2.0382 2.0382 2.5401 2.5401 2.7101 2.7101 2.9573 2.9573 3.2688 3.2688 3.4513 3.4513 3.8012 3.8012 4.2460 4.2460 4.3517 4.3517 4.5080 4.5080 4.5961 4.5961 4.7084 4.7084 4.8745 4.8745 5.1038 5.1038 5.5593 5.5593 5.7346 5.7346 5.9112 5.9112 6.4276 6.4276 6.6436 6.6436 6.7089 6.7089 7.0674 7.0674 7.1136 7.1136 7.2033 7.2033 7.8650 7.8650 8.2583 8.2583 8.4629 8.4629 8.6377 8.6377 k = 0.7565 0.0344-0.3332 ( 22310 PWs) bands (ev): -64.2919 -64.2919 -64.2914 -64.2914 -36.3597 -36.3597 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3464 -35.3464 -5.5429 -5.5429 -4.8966 -4.8966 -4.6438 -4.6438 -4.5436 -4.5436 -4.1571 -4.1571 -4.0051 -4.0051 -1.3668 -1.3668 -0.0042 -0.0042 2.0102 2.0102 2.5375 2.5375 2.7293 2.7293 2.9866 2.9866 3.3219 3.3219 3.4799 3.4799 3.7633 3.7633 4.2248 4.2248 4.3037 4.3037 4.4700 4.4700 4.5715 4.5715 4.6942 4.6942 4.8860 4.8860 5.0841 5.0841 5.5374 5.5374 5.7568 5.7568 5.9097 5.9097 6.4339 6.4339 6.6534 6.6534 6.7329 6.7329 7.0668 7.0668 7.1160 7.1160 7.2164 7.2164 7.8297 7.8297 8.2778 8.2778 8.5056 8.5056 8.6313 8.6313 k = 0.7458 0.0430-0.3127 ( 22322 PWs) bands (ev): -64.2923 -64.2923 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3465 -35.3465 -5.5606 -5.5606 -4.9273 -4.9273 -4.6297 -4.6297 -4.5126 -4.5126 -4.1412 -4.1412 -3.9925 -3.9925 -1.3864 -1.3864 -0.0142 -0.0142 1.9851 1.9851 2.5190 2.5190 2.7585 2.7585 3.0106 3.0106 3.3708 3.3708 3.5129 3.5129 3.7311 3.7311 4.1964 4.1964 4.2577 4.2577 4.4291 4.4291 4.5432 4.5432 4.6906 4.6906 4.8975 4.8975 5.0664 5.0664 5.5116 5.5116 5.7774 5.7774 5.9138 5.9138 6.4444 6.4444 6.6642 6.6642 6.7570 6.7570 7.0640 7.0640 7.1190 7.1190 7.2289 7.2289 7.7983 7.7983 8.2937 8.2937 8.5344 8.5344 8.6348 8.6348 k = 0.7351 0.0515-0.2921 ( 22314 PWs) bands (ev): -64.2922 -64.2922 -64.2911 -64.2911 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3464 -35.3464 -5.5811 -5.5811 -4.9585 -4.9585 -4.6103 -4.6103 -4.4808 -4.4808 -4.1246 -4.1246 -3.9801 -3.9801 -1.4085 -1.4085 -0.0247 -0.0247 1.9630 1.9630 2.4932 2.4932 2.7887 2.7887 3.0262 3.0262 3.4118 3.4118 3.5508 3.5508 3.7067 3.7067 4.1530 4.1530 4.2223 4.2223 4.3910 4.3910 4.5142 4.5142 4.6956 4.6956 4.9077 4.9077 5.0518 5.0518 5.4837 5.4837 5.7944 5.7944 5.9222 5.9222 6.4605 6.4605 6.6760 6.6760 6.7811 6.7811 7.0610 7.0610 7.1234 7.1234 7.2428 7.2428 7.7713 7.7713 8.3063 8.3063 8.5356 8.5356 8.6522 8.6522 k = 0.7244 0.0601-0.2716 ( 22328 PWs) bands (ev): -64.2926 -64.2926 -64.2913 -64.2913 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3476 -35.3476 -35.3463 -35.3463 -5.6038 -5.6038 -4.9897 -4.9897 -4.5861 -4.5861 -4.4483 -4.4483 -4.1074 -4.1074 -3.9679 -3.9679 -1.4329 -1.4329 -0.0354 -0.0354 1.9440 1.9440 2.4645 2.4645 2.8150 2.8150 3.0296 3.0296 3.4441 3.4441 3.5890 3.5890 3.6935 3.6935 4.0988 4.0988 4.1916 4.1916 4.3612 4.3612 4.4899 4.4899 4.7065 4.7065 4.9145 4.9145 5.0421 5.0421 5.4546 5.4546 5.8079 5.8079 5.9330 5.9330 6.4820 6.4820 6.6878 6.6878 6.8034 6.8034 7.0565 7.0565 7.1270 7.1270 7.2565 7.2565 7.7479 7.7479 8.3156 8.3156 8.5193 8.5193 8.6628 8.6628 k = 0.7137 0.0687-0.2510 ( 22332 PWs) bands (ev): -64.2926 -64.2926 -64.2914 -64.2914 -36.3599 -36.3599 -36.3593 -36.3593 -35.4116 -35.4116 -35.4115 -35.4115 -35.3477 -35.3477 -35.3463 -35.3463 -5.6280 -5.6280 -5.0205 -5.0205 -4.5579 -4.5579 -4.4154 -4.4154 -4.0898 -4.0898 -3.9560 -3.9560 -1.4592 -1.4592 -0.0460 -0.0460 1.9284 1.9284 2.4349 2.4349 2.8353 2.8353 3.0187 3.0187 3.4679 3.4679 3.6154 3.6154 3.6997 3.6997 4.0437 4.0437 4.1556 4.1556 4.3398 4.3398 4.4801 4.4801 4.7216 4.7216 4.9164 4.9164 5.0399 5.0399 5.4251 5.4251 5.8181 5.8181 5.9452 5.9452 6.5088 6.5088 6.7007 6.7007 6.8245 6.8245 7.0513 7.0513 7.1302 7.1302 7.2709 7.2709 7.7299 7.7299 8.3227 8.3227 8.4972 8.4972 8.6628 8.6628 k = 0.7031 0.0772-0.2305 ( 22326 PWs) bands (ev): -64.2924 -64.2924 -64.2913 -64.2913 -36.3599 -36.3599 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3478 -35.3478 -35.3462 -35.3462 -5.6533 -5.6533 -5.0508 -5.0508 -4.5261 -4.5261 -4.3822 -4.3822 -4.0720 -4.0720 -3.9444 -3.9444 -1.4875 -1.4875 -0.0563 -0.0563 1.9161 1.9161 2.4056 2.4056 2.8483 2.8483 2.9943 2.9943 3.4779 3.4779 3.6260 3.6260 3.7273 3.7273 3.9931 3.9931 4.1157 4.1157 4.3180 4.3180 4.4958 4.4958 4.7393 4.7393 4.9130 4.9130 5.0461 5.0461 5.3963 5.3963 5.8241 5.8241 5.9594 5.9594 6.5399 6.5399 6.7141 6.7141 6.8447 6.8447 7.0459 7.0459 7.1335 7.1335 7.2853 7.2853 7.7168 7.7168 8.3274 8.3274 8.4756 8.4756 8.6564 8.6564 k = 0.6924 0.0858-0.2099 ( 22332 PWs) bands (ev): -64.2927 -64.2927 -64.2912 -64.2912 -36.3599 -36.3599 -36.3593 -36.3593 -35.4116 -35.4116 -35.4115 -35.4115 -35.3478 -35.3478 -35.3461 -35.3461 -5.6792 -5.6792 -5.0804 -5.0804 -4.4914 -4.4914 -4.3490 -4.3490 -4.0543 -4.0543 -3.9333 -3.9333 -1.5173 -1.5173 -0.0660 -0.0660 1.9074 1.9074 2.3771 2.3771 2.8524 2.8524 2.9610 2.9610 3.4649 3.4649 3.6341 3.6341 3.7620 3.7620 3.9500 3.9500 4.0801 4.0801 4.2907 4.2907 4.5380 4.5380 4.7576 4.7576 4.9068 4.9068 5.0592 5.0592 5.3691 5.3691 5.8247 5.8247 5.9771 5.9771 6.5734 6.5734 6.7280 6.7280 6.8623 6.8623 7.0400 7.0400 7.1358 7.1358 7.2990 7.2990 7.7088 7.7088 8.3275 8.3275 8.4561 8.4561 8.6455 8.6455 k = 0.6817 0.0944-0.1894 ( 22338 PWs) bands (ev): -64.2928 -64.2928 -64.2913 -64.2913 -36.3600 -36.3600 -36.3593 -36.3593 -35.4117 -35.4117 -35.4115 -35.4115 -35.3479 -35.3479 -35.3461 -35.3461 -5.7053 -5.7053 -5.1090 -5.1090 -4.4544 -4.4544 -4.3159 -4.3159 -4.0368 -4.0368 -3.9226 -3.9226 -1.5484 -1.5484 -0.0750 -0.0750 1.9021 1.9021 2.3498 2.3498 2.8427 2.8427 2.9276 2.9276 3.4279 3.4279 3.6383 3.6383 3.7946 3.7946 3.9186 3.9186 4.0570 4.0570 4.2615 4.2615 4.5986 4.5986 4.7744 4.7744 4.9021 4.9021 5.0771 5.0771 5.3450 5.3450 5.8188 5.8188 5.9994 5.9994 6.6079 6.6079 6.7427 6.7427 6.8777 6.8777 7.0333 7.0333 7.1376 7.1376 7.3135 7.3135 7.7068 7.7068 8.3216 8.3216 8.4416 8.4416 8.6306 8.6306 k = 0.6710 0.1029-0.1688 ( 22340 PWs) bands (ev): -64.2928 -64.2928 -64.2913 -64.2913 -36.3600 -36.3600 -36.3593 -36.3593 -35.4117 -35.4117 -35.4115 -35.4115 -35.3480 -35.3480 -35.3460 -35.3460 -5.7311 -5.7311 -5.1366 -5.1366 -4.4154 -4.4154 -4.2831 -4.2831 -4.0196 -4.0196 -3.9126 -3.9126 -1.5807 -1.5807 -0.0829 -0.0829 1.9004 1.9004 2.3239 2.3239 2.8125 2.8125 2.9046 2.9046 3.3737 3.3737 3.6234 3.6234 3.8213 3.8213 3.9069 3.9069 4.0490 4.0490 4.2357 4.2357 4.6668 4.6668 4.7883 4.7883 4.9047 4.9047 5.0985 5.0985 5.3259 5.3259 5.8069 5.8069 6.0266 6.0266 6.6423 6.6423 6.7581 6.7581 6.8912 6.8912 7.0271 7.0271 7.1376 7.1376 7.3270 7.3270 7.7112 7.7112 8.3093 8.3093 8.4327 8.4327 8.6145 8.6145 k = 0.6603 0.1115-0.1483 ( 22350 PWs) bands (ev): -64.2929 -64.2929 -64.2916 -64.2916 -36.3601 -36.3601 -36.3592 -36.3592 -35.4117 -35.4117 -35.4115 -35.4115 -35.3481 -35.3481 -35.3459 -35.3459 -5.7564 -5.7564 -5.1630 -5.1630 -4.3750 -4.3750 -4.2506 -4.2506 -4.0029 -4.0029 -3.9033 -3.9033 -1.6139 -1.6139 -0.0898 -0.0898 1.9023 1.9023 2.2996 2.2996 2.7661 2.7661 2.8910 2.8910 3.3089 3.3089 3.5823 3.5823 3.8413 3.8413 3.9148 3.9148 4.0540 4.0540 4.2186 4.2186 4.7238 4.7238 4.8058 4.8058 4.9191 4.9191 5.1224 5.1224 5.3147 5.3147 5.7900 5.7900 6.0583 6.0583 6.6743 6.6743 6.7743 6.7743 6.9025 6.9025 7.0202 7.0202 7.1370 7.1370 7.3391 7.3391 7.7222 7.7222 8.2910 8.2910 8.4260 8.4260 8.5996 8.5996 k = 0.6496 0.1201-0.1277 ( 22330 PWs) bands (ev): -64.2928 -64.2928 -64.2909 -64.2909 -36.3600 -36.3600 -36.3592 -36.3592 -35.4116 -35.4116 -35.4115 -35.4115 -35.3480 -35.3480 -35.3459 -35.3459 -5.7810 -5.7810 -5.1881 -5.1881 -4.3337 -4.3337 -4.2187 -4.2187 -3.9867 -3.9867 -3.8947 -3.8947 -1.6477 -1.6477 -0.0956 -0.0956 1.9077 1.9077 2.2770 2.2770 2.7133 2.7133 2.8801 2.8801 3.2381 3.2381 3.5217 3.5217 3.8549 3.8549 3.9292 3.9292 4.0707 4.0707 4.2156 4.2156 4.7440 4.7440 4.8407 4.8407 4.9489 4.9489 5.1498 5.1498 5.3149 5.3149 5.7701 5.7701 6.0939 6.0939 6.7038 6.7038 6.7933 6.7933 6.9123 6.9123 7.0138 7.0138 7.1356 7.1356 7.3491 7.3491 7.7423 7.7423 8.2700 8.2700 8.4181 8.4181 8.5905 8.5905 k = 0.6389 0.1286-0.1072 ( 22326 PWs) bands (ev): -64.2928 -64.2928 -64.2908 -64.2908 -36.3600 -36.3600 -36.3592 -36.3592 -35.4116 -35.4116 -35.4115 -35.4115 -35.3480 -35.3480 -35.3458 -35.3458 -5.8046 -5.8046 -5.2118 -5.2118 -4.2919 -4.2919 -4.1875 -4.1875 -3.9714 -3.9714 -3.8870 -3.8870 -1.6818 -1.6818 -0.1001 -0.1001 1.9168 1.9168 2.2561 2.2561 2.6590 2.6590 2.8691 2.8691 3.1647 3.1647 3.4503 3.4503 3.8579 3.8579 3.9413 3.9413 4.0990 4.0990 4.2279 4.2279 4.7398 4.7398 4.8725 4.8725 4.9920 4.9920 5.1826 5.1826 5.3302 5.3302 5.7488 5.7488 6.1328 6.1328 6.7277 6.7277 6.8146 6.8146 6.9195 6.9195 7.0075 7.0075 7.1322 7.1322 7.3554 7.3554 7.7700 7.7700 8.2466 8.2466 8.4031 8.4031 8.5904 8.5904 k = 0.6282 0.1372-0.0866 ( 22340 PWs) bands (ev): -64.2931 -64.2931 -64.2909 -64.2909 -36.3601 -36.3601 -36.3592 -36.3592 -35.4117 -35.4117 -35.4115 -35.4115 -35.3481 -35.3481 -35.3458 -35.3458 -5.8269 -5.8269 -5.2340 -5.2340 -4.2501 -4.2501 -4.1572 -4.1572 -3.9568 -3.9568 -3.8801 -3.8801 -1.7159 -1.7159 -0.1034 -0.1034 1.9293 1.9293 2.2368 2.2368 2.6059 2.6059 2.8572 2.8572 3.0906 3.0906 3.3737 3.3737 3.8463 3.8463 3.9534 3.9534 4.1373 4.1373 4.2524 4.2524 4.7282 4.7282 4.8890 4.8890 5.0347 5.0347 5.2212 5.2212 5.3626 5.3626 5.7297 5.7297 6.1742 6.1742 6.7465 6.7465 6.8371 6.8371 6.9236 6.9236 7.0003 7.0003 7.1269 7.1269 7.3573 7.3573 7.8063 7.8063 8.2225 8.2225 8.3804 8.3804 8.5995 8.5995 k = 0.6176 0.1458-0.0661 ( 22344 PWs) bands (ev): -64.2934 -64.2934 -64.2908 -64.2908 -36.3601 -36.3601 -36.3592 -36.3592 -35.4117 -35.4117 -35.4115 -35.4115 -35.3482 -35.3482 -35.3458 -35.3458 -5.8480 -5.8480 -5.2546 -5.2546 -4.2087 -4.2087 -4.1278 -4.1278 -3.9433 -3.9433 -3.8743 -3.8743 -1.7498 -1.7498 -0.1056 -0.1056 1.9452 1.9452 2.2190 2.2190 2.5554 2.5554 2.8446 2.8446 3.0177 3.0177 3.2952 3.2952 3.8222 3.8222 3.9680 3.9680 4.1819 4.1819 4.2847 4.2847 4.7144 4.7144 4.8940 4.8940 5.0689 5.0689 5.2614 5.2614 5.4082 5.4082 5.7198 5.7198 6.2181 6.2181 6.7612 6.7612 6.8605 6.8605 6.9259 6.9259 6.9937 6.9937 7.1211 7.1211 7.3551 7.3551 7.8507 7.8507 8.1989 8.1989 8.3528 8.3528 8.6169 8.6169 k = 0.6069 0.1543-0.0455 ( 22330 PWs) bands (ev): -64.2930 -64.2930 -64.2907 -64.2907 -36.3601 -36.3601 -36.3591 -36.3591 -35.4117 -35.4117 -35.4115 -35.4115 -35.3482 -35.3482 -35.3456 -35.3456 -5.8675 -5.8675 -5.2736 -5.2736 -4.1681 -4.1681 -4.0997 -4.0997 -3.9308 -3.9308 -3.8695 -3.8695 -1.7829 -1.7829 -0.1068 -0.1068 1.9645 1.9645 2.2028 2.2028 2.5086 2.5086 2.8312 2.8312 2.9472 2.9472 3.2167 3.2167 3.7910 3.7910 3.9839 3.9839 4.2296 4.2296 4.3210 4.3210 4.7007 4.7007 4.8911 4.8911 5.0961 5.0961 5.2988 5.2988 5.4498 5.4498 5.7320 5.7320 6.2646 6.2646 6.7741 6.7741 6.8832 6.8832 6.9263 6.9263 6.9873 6.9873 7.1146 7.1146 7.3488 7.3488 7.9027 7.9027 8.1759 8.1759 8.3238 8.3238 8.6409 8.6409 k = 0.5962 0.1629-0.0250 ( 22334 PWs) bands (ev): -64.2931 -64.2931 -64.2908 -64.2908 -36.3601 -36.3601 -36.3591 -36.3591 -35.4117 -35.4117 -35.4115 -35.4115 -35.3483 -35.3483 -35.3456 -35.3456 -5.8855 -5.8855 -5.2910 -5.2910 -4.1290 -4.1290 -4.0728 -4.0728 -3.9194 -3.9194 -3.8659 -3.8659 -1.8149 -1.8149 -0.1070 -0.1070 1.9867 1.9867 2.1880 2.1880 2.4664 2.4664 2.8165 2.8165 2.8807 2.8807 3.1396 3.1396 3.7569 3.7569 4.0000 4.0000 4.2782 4.2782 4.3588 4.3588 4.6880 4.6880 4.8822 4.8822 5.1191 5.1191 5.3316 5.3316 5.4675 5.4675 5.7786 5.7786 6.3130 6.3130 6.7842 6.7842 6.9014 6.9014 6.9257 6.9257 6.9814 6.9814 7.1071 7.1071 7.3378 7.3378 7.9587 7.9587 8.1540 8.1540 8.2961 8.2961 8.6678 8.6678 k = 0.5855 0.1715-0.0044 ( 22340 PWs) bands (ev): -64.2930 -64.2930 -64.2911 -64.2911 -36.3602 -36.3602 -36.3591 -36.3591 -35.4117 -35.4117 -35.4115 -35.4115 -35.3483 -35.3483 -35.3455 -35.3455 -5.9018 -5.9018 -5.3067 -5.3067 -4.0917 -4.0917 -4.0473 -4.0473 -3.9094 -3.9094 -3.8635 -3.8635 -1.8454 -1.8454 -0.1064 -0.1064 2.0114 2.0114 2.1749 2.1749 2.4294 2.4294 2.7935 2.7935 2.8260 2.8260 3.0651 3.0651 3.7225 3.7225 4.0154 4.0154 4.3259 4.3259 4.3965 4.3965 4.6777 4.6777 4.8699 4.8699 5.1391 5.1391 5.3582 5.3582 5.4633 5.4633 5.8539 5.8539 6.3634 6.3634 6.7928 6.7928 6.9073 6.9073 6.9313 6.9313 6.9766 6.9766 7.0988 7.0988 7.3227 7.3227 8.0140 8.0140 8.1336 8.1336 8.2756 8.2756 8.6965 8.6965 k = 0.5748 0.1800 0.0161 ( 22344 PWs) bands (ev): -64.2930 -64.2930 -64.2912 -64.2912 -36.3602 -36.3602 -36.3591 -36.3591 -35.4118 -35.4118 -35.4115 -35.4115 -35.3484 -35.3484 -35.3455 -35.3455 -5.9164 -5.9164 -5.3206 -5.3206 -4.0566 -4.0566 -4.0234 -4.0234 -3.9008 -3.9008 -3.8624 -3.8624 -1.8739 -1.8739 -0.1053 -0.1053 2.0378 2.0378 2.1642 2.1642 2.3979 2.3979 2.7442 2.7442 2.8016 2.8016 2.9946 2.9946 3.6895 3.6895 4.0298 4.0298 4.3709 4.3709 4.4328 4.4328 4.6713 4.6713 4.8557 4.8557 5.1558 5.1558 5.3717 5.3717 5.4555 5.4555 5.9423 5.9423 6.4161 6.4161 6.7999 6.7999 6.9012 6.9012 6.9414 6.9414 6.9755 6.9755 7.0910 7.0910 7.3025 7.3025 8.0584 8.0584 8.1161 8.1161 8.2730 8.2730 8.7257 8.7257 k = 0.5641 0.1886 0.0367 ( 22338 PWs) bands (ev): -64.2929 -64.2929 -64.2911 -64.2911 -36.3602 -36.3602 -36.3591 -36.3591 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3455 -35.3455 -5.9291 -5.9291 -5.3327 -5.3327 -4.0244 -4.0244 -4.0010 -4.0010 -3.8937 -3.8937 -3.8626 -3.8626 -1.8999 -1.8999 -0.1037 -0.1037 2.0632 2.0632 2.1581 2.1581 2.3722 2.3722 2.6882 2.6882 2.7880 2.7880 2.9294 2.9294 3.6590 3.6590 4.0428 4.0428 4.4113 4.4113 4.4662 4.4662 4.6711 4.6711 4.8411 4.8411 5.1679 5.1679 5.3636 5.3636 5.4616 5.4616 6.0325 6.0325 6.4713 6.4713 6.8051 6.8051 6.8912 6.8912 6.9464 6.9464 6.9804 6.9804 7.0842 7.0842 7.2778 7.2778 8.0769 8.0769 8.1037 8.1037 8.3014 8.3014 8.7539 8.7539 k = 0.5534 0.1972 0.0572 ( 22338 PWs) bands (ev): -64.2928 -64.2928 -64.2912 -64.2912 -36.3602 -36.3602 -36.3590 -36.3590 -35.4118 -35.4118 -35.4114 -35.4114 -35.3485 -35.3485 -35.3454 -35.3454 -5.9400 -5.9400 -5.3430 -5.3430 -3.9954 -3.9954 -3.9805 -3.9805 -3.8882 -3.8882 -3.8642 -3.8642 -1.9230 -1.9230 -0.1020 -0.1020 2.0823 2.0823 2.1619 2.1619 2.3522 2.3522 2.6340 2.6340 2.7760 2.7760 2.8714 2.8714 3.6318 3.6318 4.0543 4.0543 4.4458 4.4458 4.4938 4.4938 4.6795 4.6795 4.8268 4.8268 5.1731 5.1731 5.3429 5.3429 5.4778 5.4778 6.1177 6.1177 6.5289 6.5289 6.8077 6.8077 6.8793 6.8793 6.9452 6.9452 6.9894 6.9894 7.0793 7.0793 7.2491 7.2491 8.0722 8.0722 8.0928 8.0928 8.3592 8.3592 8.7790 8.7790 k = 0.5427 0.2057 0.0778 ( 22334 PWs) bands (ev): -64.2929 -64.2929 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3454 -35.3454 -5.9489 -5.9489 -5.3514 -5.3514 -3.9700 -3.9700 -3.9617 -3.9617 -3.8845 -3.8845 -3.8672 -3.8672 -1.9426 -1.9426 -0.1002 -0.1002 2.0894 2.0894 2.1807 2.1807 2.3378 2.3378 2.5824 2.5824 2.7636 2.7636 2.8236 2.8236 3.6088 3.6088 4.0640 4.0640 4.4736 4.4736 4.5134 4.5134 4.6981 4.6981 4.8136 4.8136 5.1686 5.1686 5.3233 5.3233 5.4954 5.4954 6.1931 6.1931 6.5882 6.5882 6.8073 6.8073 6.8665 6.8665 6.9427 6.9427 6.9999 6.9999 7.0754 7.0754 7.2161 7.2161 8.0628 8.0628 8.0802 8.0802 8.4333 8.4333 8.7986 8.7986 k = 0.5321 0.2143 0.0983 ( 22344 PWs) bands (ev): -64.2931 -64.2931 -64.2911 -64.2911 -36.3602 -36.3602 -36.3591 -36.3591 -35.4118 -35.4118 -35.4115 -35.4115 -35.3485 -35.3485 -35.3454 -35.3454 -5.9559 -5.9559 -5.3580 -5.3580 -3.9490 -3.9490 -3.9447 -3.9447 -3.8828 -3.8828 -3.8714 -3.8714 -1.9585 -1.9585 -0.0987 -0.0987 2.0883 2.0883 2.2100 2.2100 2.3290 2.3290 2.5332 2.5332 2.7471 2.7471 2.7912 2.7912 3.5903 3.5903 4.0717 4.0717 4.4943 4.4943 4.5257 4.5257 4.7241 4.7241 4.8022 4.8022 5.1540 5.1540 5.3107 5.3107 5.5106 5.5106 6.2554 6.2554 6.6476 6.6476 6.8029 6.8029 6.8537 6.8537 6.9393 6.9393 7.0105 7.0105 7.0723 7.0723 7.1803 7.1803 8.0530 8.0530 8.0673 8.0673 8.5138 8.5138 8.8098 8.8098 k = 0.5214 0.2229 0.1189 ( 22352 PWs) bands (ev): -64.2933 -64.2933 -64.2912 -64.2912 -36.3602 -36.3602 -36.3591 -36.3591 -35.4118 -35.4118 -35.4115 -35.4115 -35.3485 -35.3485 -35.3454 -35.3454 -5.9609 -5.9609 -5.3627 -5.3627 -3.9333 -3.9333 -3.9291 -3.9291 -3.8832 -3.8832 -3.8765 -3.8765 -1.9700 -1.9700 -0.0974 -0.0974 2.0850 2.0850 2.2407 2.2407 2.3270 2.3270 2.4872 2.4872 2.7267 2.7267 2.7754 2.7754 3.5768 3.5768 4.0774 4.0774 4.5074 4.5074 4.5337 4.5337 4.7509 4.7509 4.7941 4.7941 5.1338 5.1338 5.3049 5.3049 5.5220 5.5220 6.3019 6.3019 6.7040 6.7040 6.7964 6.7964 6.8401 6.8401 6.9370 6.9370 7.0221 7.0221 7.0702 7.0702 7.1436 7.1436 8.0452 8.0452 8.0576 8.0576 8.5948 8.5948 8.8078 8.8078 k = 0.5107 0.2314 0.1394 ( 22344 PWs) bands (ev): -64.2932 -64.2932 -64.2910 -64.2910 -36.3602 -36.3602 -36.3591 -36.3591 -35.4117 -35.4117 -35.4115 -35.4115 -35.3485 -35.3485 -35.3454 -35.3454 -5.9639 -5.9639 -5.3656 -5.3656 -3.9230 -3.9230 -3.9168 -3.9168 -3.8861 -3.8861 -3.8805 -3.8805 -1.9771 -1.9771 -0.0966 -0.0966 2.0823 2.0823 2.2633 2.2633 2.3341 2.3341 2.4482 2.4482 2.7112 2.7112 2.7689 2.7689 3.5686 3.5686 4.0809 4.0809 4.5138 4.5138 4.5393 4.5393 4.7698 4.7698 4.7910 4.7910 5.1164 5.1164 5.3030 5.3030 5.5292 5.5292 6.3308 6.3308 6.7530 6.7530 6.7910 6.7910 6.8231 6.8231 6.9361 6.9361 7.0363 7.0363 7.0681 7.0681 7.1120 7.1120 8.0403 8.0403 8.0520 8.0520 8.6710 8.6710 8.7866 8.7866 k = 0.5000 0.2400 0.1600 ( 22332 PWs) bands (ev): -64.2928 -64.2928 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3453 -35.3453 -5.9649 -5.9649 -5.3665 -5.3665 -3.9191 -3.9191 -3.9114 -3.9114 -3.8887 -3.8887 -3.8819 -3.8819 -1.9795 -1.9795 -0.0963 -0.0963 2.0813 2.0813 2.2708 2.2708 2.3421 2.3421 2.4297 2.4297 2.7056 2.7056 2.7670 2.7670 3.5658 3.5658 4.0820 4.0820 4.5157 4.5157 4.5416 4.5416 4.7748 4.7748 4.7923 4.7923 5.1096 5.1096 5.3029 5.3029 5.5317 5.5317 6.3406 6.3406 6.7823 6.7823 6.7892 6.7892 6.8059 6.8059 6.9361 6.9361 7.0478 7.0478 7.0649 7.0649 7.0972 7.0972 8.0384 8.0384 8.0501 8.0501 8.7256 8.7256 8.7517 8.7517 k = 0.5000 0.2400 0.1600 ( 22332 PWs) bands (ev): -64.2928 -64.2928 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3453 -35.3453 -5.9649 -5.9649 -5.3665 -5.3665 -3.9191 -3.9191 -3.9114 -3.9114 -3.8887 -3.8887 -3.8819 -3.8819 -1.9795 -1.9795 -0.0963 -0.0963 2.0813 2.0813 2.2708 2.2708 2.3421 2.3421 2.4297 2.4297 2.7056 2.7056 2.7670 2.7670 3.5658 3.5658 4.0820 4.0820 4.5157 4.5157 4.5416 4.5416 4.7748 4.7748 4.7923 4.7923 5.1096 5.1096 5.3029 5.3029 5.5317 5.5317 6.3406 6.3406 6.7823 6.7823 6.7892 6.7892 6.8059 6.8059 6.9361 6.9361 7.0478 7.0478 7.0649 7.0649 7.0972 7.0972 8.0384 8.0384 8.0501 8.0501 8.7256 8.7256 8.7517 8.7517 k = 0.4792 0.2300 0.1533 ( 22320 PWs) bands (ev): -64.2927 -64.2927 -64.2907 -64.2907 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3453 -35.3453 -5.9666 -5.9666 -5.3642 -5.3642 -3.9192 -3.9192 -3.9115 -3.9115 -3.8886 -3.8886 -3.8818 -3.8818 -1.9798 -1.9798 -0.0966 -0.0966 2.0801 2.0801 2.2703 2.2703 2.3413 2.3413 2.4301 2.4301 2.7046 2.7046 2.7604 2.7604 3.5639 3.5639 4.0931 4.0931 4.5141 4.5141 4.5396 4.5396 4.7784 4.7784 4.7953 4.7953 5.1116 5.1116 5.3033 5.3033 5.5321 5.5321 6.3412 6.3412 6.7816 6.7816 6.7903 6.7903 6.8059 6.8059 6.9365 6.9365 7.0474 7.0474 7.0660 7.0660 7.0977 7.0977 8.0404 8.0404 8.0521 8.0521 8.7256 8.7256 8.7516 8.7516 k = 0.4583 0.2200 0.1466 ( 22329 PWs) bands (ev): -64.2926 -64.2926 -64.2912 -64.2912 -36.3603 -36.3603 -36.3590 -36.3590 -35.4118 -35.4118 -35.4114 -35.4114 -35.3486 -35.3486 -35.3453 -35.3453 -5.9714 -5.9714 -5.3575 -5.3575 -3.9193 -3.9193 -3.9116 -3.9116 -3.8884 -3.8884 -3.8816 -3.8816 -1.9809 -1.9809 -0.0974 -0.0974 2.0766 2.0766 2.2685 2.2685 2.3391 2.3391 2.4311 2.4311 2.6987 2.6987 2.7440 2.7440 3.5586 3.5586 4.1249 4.1249 4.5097 4.5097 4.5341 4.5341 4.7882 4.7882 4.8036 4.8036 5.1175 5.1175 5.3044 5.3044 5.5328 5.5328 6.3428 6.3428 6.7793 6.7793 6.7919 6.7919 6.8051 6.8051 6.9361 6.9361 7.0460 7.0460 7.0667 7.0667 7.0976 7.0976 8.0447 8.0447 8.0564 8.0564 8.7251 8.7251 8.7512 8.7512 k = 0.4375 0.2100 0.1400 ( 22305 PWs) bands (ev): -64.2924 -64.2924 -64.2905 -64.2905 -36.3601 -36.3601 -36.3589 -36.3589 -35.4116 -35.4116 -35.4113 -35.4113 -35.3485 -35.3485 -35.3453 -35.3453 -5.9792 -5.9792 -5.3465 -5.3465 -3.9195 -3.9195 -3.9119 -3.9119 -3.8880 -3.8880 -3.8812 -3.8812 -1.9826 -1.9826 -0.0988 -0.0988 2.0712 2.0712 2.2656 2.2656 2.3358 2.3358 2.4325 2.4325 2.6767 2.6767 2.7308 2.7308 3.5512 3.5512 4.1737 4.1737 4.5037 4.5037 4.5265 4.5265 4.8034 4.8034 4.8168 4.8168 5.1275 5.1275 5.3064 5.3064 5.5339 5.5339 6.3457 6.3457 6.7767 6.7767 6.7939 6.7939 6.8032 6.8032 6.9385 6.9385 7.0445 7.0445 7.0698 7.0698 7.0988 7.0988 8.0545 8.0545 8.0661 8.0661 8.7238 8.7238 8.7505 8.7505 k = 0.4167 0.2000 0.1333 ( 22308 PWs) bands (ev): -64.2924 -64.2924 -64.2906 -64.2906 -36.3601 -36.3601 -36.3589 -36.3589 -35.4116 -35.4116 -35.4113 -35.4113 -35.3485 -35.3485 -35.3453 -35.3453 -5.9896 -5.9896 -5.3319 -5.3319 -3.9198 -3.9198 -3.9121 -3.9121 -3.8875 -3.8875 -3.8806 -3.8806 -1.9850 -1.9850 -0.1006 -0.1006 2.0640 2.0640 2.2612 2.2612 2.3317 2.3317 2.4340 2.4340 2.6348 2.6348 2.7271 2.7271 3.5428 3.5428 4.2350 4.2350 4.4977 4.4977 4.5182 4.5182 4.8217 4.8217 4.8326 4.8326 5.1413 5.1413 5.3095 5.3095 5.5355 5.5355 6.3495 6.3495 6.7732 6.7732 6.7960 6.7960 6.8007 6.8007 6.9379 6.9379 7.0415 7.0415 7.0722 7.0722 7.0998 7.0998 8.0663 8.0663 8.0777 8.0777 8.7221 8.7221 8.7496 8.7496 k = 0.3958 0.1900 0.1266 ( 22305 PWs) bands (ev): -64.2923 -64.2923 -64.2906 -64.2906 -36.3602 -36.3602 -36.3589 -36.3589 -35.4116 -35.4116 -35.4113 -35.4113 -35.3485 -35.3485 -35.3452 -35.3452 -6.0019 -6.0019 -5.3140 -5.3140 -3.9201 -3.9201 -3.9125 -3.9125 -3.8868 -3.8868 -3.8800 -3.8800 -1.9881 -1.9881 -0.1028 -0.1028 2.0554 2.0554 2.2552 2.2552 2.3273 2.3273 2.4353 2.4353 2.5817 2.5817 2.7268 2.7268 3.5339 3.5339 4.3039 4.3039 4.4942 4.4942 4.5110 4.5110 4.8419 4.8419 4.8502 4.8502 5.1592 5.1592 5.3142 5.3142 5.5378 5.5378 6.3545 6.3545 6.7699 6.7699 6.7982 6.7982 6.7984 6.7984 6.9378 6.9378 7.0382 7.0382 7.0749 7.0749 7.1011 7.1011 8.0808 8.0808 8.0920 8.0920 8.7201 8.7201 8.7489 8.7489 k = 0.3750 0.1800 0.1200 ( 22311 PWs) bands (ev): -64.2924 -64.2924 -64.2906 -64.2906 -36.3602 -36.3602 -36.3589 -36.3589 -35.4116 -35.4116 -35.4113 -35.4113 -35.3486 -35.3486 -35.3452 -35.3452 -6.0159 -6.0159 -5.2935 -5.2935 -3.9205 -3.9205 -3.9129 -3.9129 -3.8861 -3.8861 -3.8792 -3.8792 -1.9918 -1.9918 -0.1054 -0.1054 2.0459 2.0459 2.2476 2.2476 2.3220 2.3220 2.4359 2.4359 2.5236 2.5236 2.7269 2.7269 3.5245 3.5245 4.3736 4.3736 4.4968 4.4968 4.5054 4.5054 4.8626 4.8626 4.8684 4.8684 5.1811 5.1811 5.3215 5.3215 5.5403 5.5403 6.3604 6.3604 6.7655 6.7655 6.7942 6.7942 6.8004 6.8004 6.9380 6.9380 7.0359 7.0359 7.0778 7.0778 7.1020 7.1020 8.0977 8.0977 8.1083 8.1083 8.7165 8.7165 8.7483 8.7483 k = 0.3542 0.1700 0.1133 ( 22320 PWs) bands (ev): -64.2923 -64.2923 -64.2911 -64.2911 -36.3602 -36.3602 -36.3589 -36.3589 -35.4117 -35.4117 -35.4113 -35.4113 -35.3486 -35.3486 -35.3452 -35.3452 -6.0309 -6.0309 -5.2709 -5.2709 -3.9209 -3.9209 -3.9133 -3.9133 -3.8853 -3.8853 -3.8784 -3.8784 -1.9961 -1.9961 -0.1082 -0.1082 2.0357 2.0357 2.2385 2.2385 2.3140 2.3140 2.4356 2.4356 2.4658 2.4658 2.7262 2.7262 3.5145 3.5145 4.4295 4.4295 4.5024 4.5024 4.5183 4.5183 4.8831 4.8831 4.8868 4.8868 5.2057 5.2057 5.3327 5.3327 5.5436 5.5436 6.3674 6.3674 6.7617 6.7617 6.7907 6.7907 6.8024 6.8024 6.9356 6.9356 7.0330 7.0330 7.0806 7.0806 7.1030 7.1030 8.1164 8.1164 8.1262 8.1262 8.7122 8.7122 8.7486 8.7486 k = 0.3333 0.1600 0.1066 ( 22308 PWs) bands (ev): -64.2919 -64.2919 -64.2911 -64.2911 -36.3602 -36.3602 -36.3588 -36.3588 -35.4117 -35.4117 -35.4112 -35.4112 -35.3486 -35.3486 -35.3452 -35.3452 -6.0467 -6.0467 -5.2468 -5.2468 -3.9213 -3.9213 -3.9137 -3.9137 -3.8844 -3.8844 -3.8775 -3.8775 -2.0009 -2.0009 -0.1112 -0.1112 2.0254 2.0254 2.2278 2.2278 2.2980 2.2980 2.4164 2.4164 2.4341 2.4341 2.7241 2.7241 3.5036 3.5036 4.4552 4.4552 4.5025 4.5025 4.5728 4.5728 4.9027 4.9027 4.9048 4.9048 5.2316 5.2316 5.3506 5.3506 5.5477 5.5477 6.3754 6.3754 6.7583 6.7583 6.7874 6.7874 6.8046 6.8046 6.9348 6.9348 7.0303 7.0303 7.0839 7.0839 7.1039 7.1039 8.1375 8.1375 8.1461 8.1461 8.7066 8.7066 8.7502 8.7502 k = 0.3125 0.1500 0.1000 ( 22333 PWs) bands (ev): -64.2921 -64.2921 -64.2917 -64.2917 -36.3604 -36.3604 -36.3589 -36.3589 -35.4119 -35.4119 -35.4112 -35.4112 -35.3487 -35.3487 -35.3452 -35.3452 -6.0627 -6.0627 -5.2217 -5.2217 -3.9217 -3.9217 -3.9141 -3.9141 -3.8836 -3.8836 -3.8765 -3.8765 -2.0063 -2.0063 -0.1144 -0.1144 2.0151 2.0151 2.2137 2.2137 2.2666 2.2666 2.3861 2.3861 2.4311 2.4311 2.7204 2.7204 3.4915 3.4915 4.4669 4.4669 4.5058 4.5058 4.6420 4.6420 4.9202 4.9202 4.9217 4.9217 5.2555 5.2555 5.3775 5.3775 5.5523 5.5523 6.3843 6.3843 6.7545 6.7545 6.7834 6.7834 6.8063 6.8063 6.9314 6.9314 7.0265 7.0265 7.0864 7.0864 7.1040 7.1040 8.1585 8.1585 8.1655 8.1655 8.6994 8.6994 8.7526 8.7526 k = 0.2917 0.1400 0.0933 ( 22333 PWs) bands (ev): -64.2924 -64.2924 -64.2914 -64.2914 -36.3604 -36.3604 -36.3588 -36.3588 -35.4119 -35.4119 -35.4112 -35.4112 -35.3487 -35.3487 -35.3452 -35.3452 -6.0787 -6.0787 -5.1959 -5.1959 -3.9220 -3.9220 -3.9145 -3.9145 -3.8826 -3.8826 -3.8756 -3.8756 -2.0122 -2.0122 -0.1175 -0.1175 2.0051 2.0051 2.1869 2.1869 2.2312 2.2312 2.3746 2.3746 2.4267 2.4267 2.7148 2.7148 3.4780 3.4780 4.4776 4.4776 4.5128 4.5128 4.7110 4.7110 4.9356 4.9356 4.9379 4.9379 5.2760 5.2760 5.4162 5.4162 5.5579 5.5579 6.3944 6.3944 6.7511 6.7511 6.7800 6.7800 6.8085 6.8085 6.9294 6.9294 7.0227 7.0227 7.0892 7.0892 7.1039 7.1039 8.1816 8.1816 8.1868 8.1868 8.6910 8.6910 8.7562 8.7562 k = 0.2708 0.1300 0.0867 ( 22336 PWs) bands (ev): -64.2923 -64.2923 -64.2916 -64.2916 -36.3604 -36.3604 -36.3588 -36.3588 -35.4119 -35.4119 -35.4112 -35.4112 -35.3487 -35.3487 -35.3452 -35.3452 -6.0945 -6.0945 -5.1700 -5.1700 -3.9224 -3.9224 -3.9149 -3.9149 -3.8817 -3.8817 -3.8746 -3.8746 -2.0184 -2.0184 -0.1206 -0.1206 1.9957 1.9957 2.1375 2.1375 2.2118 2.2118 2.3731 2.3731 2.4209 2.4209 2.7073 2.7073 3.4631 3.4631 4.4900 4.4900 4.5232 4.5232 4.7745 4.7745 4.9486 4.9486 4.9543 4.9543 5.2930 5.2930 5.4656 5.4656 5.5640 5.5640 6.4055 6.4055 6.7481 6.7481 6.7767 6.7767 6.8103 6.8103 6.9281 6.9281 7.0184 7.0184 7.0917 7.0917 7.1032 7.1032 8.2050 8.2050 8.2078 8.2078 8.6814 8.6814 8.7604 8.7604 k = 0.2500 0.1200 0.0800 ( 22351 PWs) bands (ev): -64.2926 -64.2926 -64.2918 -64.2918 -36.3605 -36.3605 -36.3589 -36.3589 -35.4120 -35.4120 -35.4112 -35.4112 -35.3488 -35.3488 -35.3452 -35.3452 -6.1097 -6.1097 -5.1444 -5.1444 -3.9228 -3.9228 -3.9152 -3.9152 -3.8808 -3.8808 -3.8737 -3.8737 -2.0249 -2.0249 -0.1236 -0.1236 1.9870 1.9870 2.0800 2.0800 2.2000 2.2000 2.3764 2.3764 2.4137 2.4137 2.6982 2.6982 3.4467 3.4467 4.5051 4.5051 4.5367 4.5367 4.8289 4.8289 4.9585 4.9585 4.9720 4.9720 5.3077 5.3077 5.5241 5.5241 5.5706 5.5706 6.4178 6.4178 6.7452 6.7452 6.7733 6.7733 6.8116 6.8116 6.9276 6.9276 7.0135 7.0135 7.0937 7.0937 7.1016 7.1016 8.2268 8.2268 8.2272 8.2272 8.6711 8.6711 8.7646 8.7646 k = 0.2292 0.1100 0.0733 ( 22351 PWs) bands (ev): -64.2925 -64.2925 -64.2919 -64.2919 -36.3604 -36.3604 -36.3589 -36.3589 -35.4120 -35.4120 -35.4112 -35.4112 -35.3488 -35.3488 -35.3452 -35.3452 -6.1242 -6.1242 -5.1192 -5.1192 -3.9231 -3.9231 -3.9156 -3.9156 -3.8800 -3.8800 -3.8728 -3.8728 -2.0316 -2.0316 -0.1264 -0.1264 1.9792 1.9792 2.0222 2.0222 2.1907 2.1907 2.3824 2.3824 2.4053 2.4053 2.6876 2.6876 3.4291 3.4291 4.5231 4.5231 4.5535 4.5535 4.8704 4.8704 4.9656 4.9656 4.9947 4.9947 5.3212 5.3212 5.5777 5.5777 5.5888 5.5888 6.4316 6.4316 6.7426 6.7426 6.7702 6.7702 6.8132 6.8132 6.9257 6.9257 7.0088 7.0088 7.0960 7.0960 7.1000 7.1000 8.2477 8.2477 8.2500 8.2500 8.6602 8.6602 8.7681 8.7681 k = 0.2083 0.1000 0.0667 ( 22354 PWs) bands (ev): -64.2925 -64.2925 -64.2920 -64.2920 -36.3605 -36.3605 -36.3589 -36.3589 -35.4120 -35.4120 -35.4112 -35.4112 -35.3488 -35.3488 -35.3453 -35.3453 -6.1379 -6.1379 -5.0951 -5.0951 -3.9234 -3.9234 -3.9158 -3.9158 -3.8791 -3.8791 -3.8719 -3.8719 -2.0384 -2.0384 -0.1289 -0.1289 1.9668 1.9668 1.9722 1.9722 2.1829 2.1829 2.3902 2.3902 2.3961 2.3961 2.6758 2.6758 3.4105 3.4105 4.5438 4.5438 4.5731 4.5731 4.8964 4.8964 4.9694 4.9694 5.0243 5.0243 5.3341 5.3341 5.5852 5.5852 5.6575 5.6575 6.4474 6.4474 6.7403 6.7403 6.7673 6.7673 6.8147 6.8147 6.9214 6.9214 7.0041 7.0041 7.0978 7.0978 7.0980 7.0980 8.2676 8.2676 8.2723 8.2723 8.6493 8.6493 8.7699 8.7699 k = 0.1875 0.0900 0.0600 ( 22342 PWs) bands (ev): -64.2924 -64.2924 -64.2916 -64.2916 -36.3604 -36.3604 -36.3588 -36.3588 -35.4120 -35.4120 -35.4112 -35.4112 -35.3488 -35.3488 -35.3452 -35.3452 -6.1507 -6.1507 -5.0721 -5.0721 -3.9236 -3.9236 -3.9161 -3.9161 -3.8783 -3.8783 -3.8711 -3.8711 -2.0451 -2.0451 -0.1311 -0.1311 1.9147 1.9147 1.9662 1.9662 2.1762 2.1762 2.3862 2.3862 2.3992 2.3992 2.6633 2.6633 3.3913 3.3913 4.5670 4.5670 4.5952 4.5952 4.9093 4.9093 4.9702 4.9702 5.0591 5.0591 5.3464 5.3464 5.5931 5.5931 5.7270 5.7270 6.4651 6.4651 6.7393 6.7393 6.7656 6.7656 6.8161 6.8161 6.9180 6.9180 6.9988 6.9988 7.0952 7.0952 7.0990 7.0990 8.2875 8.2875 8.2940 8.2940 8.6390 8.6390 8.7698 8.7698 k = 0.1667 0.0800 0.0533 ( 22321 PWs) bands (ev): -64.2919 -64.2919 -64.2914 -64.2914 -36.3604 -36.3604 -36.3588 -36.3588 -35.4119 -35.4119 -35.4111 -35.4111 -35.3487 -35.3487 -35.3451 -35.3451 -6.1623 -6.1623 -5.0507 -5.0507 -3.9238 -3.9238 -3.9163 -3.9163 -3.8776 -3.8776 -3.8704 -3.8704 -2.0517 -2.0517 -0.1330 -0.1330 1.8667 1.8667 1.9612 1.9612 2.1706 2.1706 2.3760 2.3760 2.4091 2.4091 2.6503 2.6503 3.3718 3.3718 4.5920 4.5920 4.6192 4.6192 4.9133 4.9133 4.9681 4.9681 5.0950 5.0950 5.3580 5.3580 5.6009 5.6009 5.7947 5.7947 6.4852 6.4852 6.7396 6.7396 6.7650 6.7650 6.8173 6.8173 6.9154 6.9154 6.9933 6.9933 7.0923 7.0923 7.0988 7.0988 8.3064 8.3064 8.3143 8.3143 8.6298 8.6298 8.7672 8.7672 k = 0.1458 0.0700 0.0467 ( 22300 PWs) bands (ev): -64.2917 -64.2917 -64.2909 -64.2909 -36.3603 -36.3603 -36.3587 -36.3587 -35.4117 -35.4117 -35.4111 -35.4111 -35.3487 -35.3487 -35.3451 -35.3451 -6.1727 -6.1727 -5.0311 -5.0311 -3.9240 -3.9240 -3.9165 -3.9165 -3.8770 -3.8770 -3.8697 -3.8697 -2.0579 -2.0579 -0.1347 -0.1347 1.8233 1.8233 1.9571 1.9571 2.1661 2.1661 2.3658 2.3658 2.4193 2.4193 2.6375 2.6375 3.3526 3.3526 4.6186 4.6186 4.6447 4.6447 4.9115 4.9115 4.9630 4.9630 5.1293 5.1293 5.3689 5.3689 5.6084 5.6084 5.8590 5.8590 6.5086 6.5086 6.7397 6.7397 6.7644 6.7644 6.8179 6.8179 6.9105 6.9105 6.9883 6.9883 7.0885 7.0885 7.0979 7.0979 8.3254 8.3254 8.3340 8.3340 8.6220 8.6220 8.7611 8.7611 k = 0.1250 0.0600 0.0400 ( 22309 PWs) bands (ev): -64.2920 -64.2920 -64.2909 -64.2909 -36.3602 -36.3602 -36.3588 -36.3588 -35.4117 -35.4117 -35.4111 -35.4111 -35.3487 -35.3487 -35.3452 -35.3452 -6.1819 -6.1819 -5.0136 -5.0136 -3.9242 -3.9242 -3.9166 -3.9166 -3.8764 -3.8764 -3.8691 -3.8691 -2.0636 -2.0636 -0.1360 -0.1360 1.7850 1.7850 1.9538 1.9538 2.1624 2.1624 2.3561 2.3561 2.4295 2.4295 2.6250 2.6250 3.3343 3.3343 4.6457 4.6457 4.6710 4.6710 4.9050 4.9050 4.9547 4.9547 5.1603 5.1603 5.3786 5.3786 5.6150 5.6150 5.9172 5.9172 6.5350 6.5350 6.7385 6.7385 6.7623 6.7623 6.8183 6.8183 6.9028 6.9028 6.9835 6.9835 7.0850 7.0850 7.0957 7.0957 8.3432 8.3432 8.3517 8.3517 8.6162 8.6162 8.7507 8.7507 k = 0.1042 0.0500 0.0333 ( 22330 PWs) bands (ev): -64.2924 -64.2924 -64.2912 -64.2912 -36.3603 -36.3603 -36.3588 -36.3588 -35.4118 -35.4118 -35.4112 -35.4112 -35.3488 -35.3488 -35.3452 -35.3452 -6.1898 -6.1898 -4.9983 -4.9983 -3.9243 -3.9243 -3.9168 -3.9168 -3.8759 -3.8759 -3.8686 -3.8686 -2.0687 -2.0687 -0.1370 -0.1370 1.7520 1.7520 1.9512 1.9512 2.1596 2.1596 2.3470 2.3470 2.4394 2.4394 2.6134 2.6134 3.3174 3.3174 4.6732 4.6732 4.6975 4.6975 4.8951 4.8951 4.9439 4.9439 5.1874 5.1874 5.3872 5.3872 5.6211 5.6211 5.9677 5.9677 6.5645 6.5645 6.7386 6.7386 6.7617 6.7617 6.8180 6.8180 6.8905 6.8905 6.9778 6.9778 7.0812 7.0812 7.0919 7.0919 8.3588 8.3588 8.3662 8.3662 8.6131 8.6131 8.7377 8.7377 k = 0.0833 0.0400 0.0267 ( 22339 PWs) bands (ev): -64.2924 -64.2924 -64.2914 -64.2914 -36.3603 -36.3603 -36.3589 -36.3589 -35.4118 -35.4118 -35.4112 -35.4112 -35.3487 -35.3487 -35.3453 -35.3453 -6.1963 -6.1963 -4.9855 -4.9855 -3.9244 -3.9244 -3.9169 -3.9169 -3.8755 -3.8755 -3.8682 -3.8682 -2.0731 -2.0731 -0.1378 -0.1378 1.7246 1.7246 1.9493 1.9493 2.1575 2.1575 2.3391 2.3391 2.4484 2.4484 2.6032 2.6032 3.3026 3.3026 4.7006 4.7006 4.7238 4.7238 4.8826 4.8826 4.9311 4.9311 5.2101 5.2101 5.3945 5.3945 5.6263 5.6263 6.0093 6.0093 6.5966 6.5966 6.7387 6.7387 6.7613 6.7613 6.8179 6.8179 6.8766 6.8766 6.9733 6.9733 7.0779 7.0779 7.0876 7.0876 8.3740 8.3740 8.3798 8.3798 8.6128 8.6128 8.7227 8.7227 k = 0.0625 0.0300 0.0200 ( 22315 PWs) bands (ev): -64.2918 -64.2918 -64.2912 -64.2912 -36.3603 -36.3603 -36.3588 -36.3588 -35.4118 -35.4118 -35.4111 -35.4111 -35.3487 -35.3487 -35.3452 -35.3452 -6.2014 -6.2014 -4.9754 -4.9754 -3.9245 -3.9245 -3.9170 -3.9170 -3.8752 -3.8752 -3.8678 -3.8678 -2.0767 -2.0767 -0.1384 -0.1384 1.7031 1.7031 1.9480 1.9480 2.1560 2.1560 2.3327 2.3327 2.4561 2.4561 2.5946 2.5946 3.2904 3.2904 4.7278 4.7278 4.7491 4.7491 4.8681 4.8681 4.9173 4.9173 5.2280 5.2280 5.4005 5.4005 5.6308 5.6308 6.0415 6.0415 6.6297 6.6297 6.7409 6.7409 6.7635 6.7635 6.8179 6.8179 6.8596 6.8596 6.9697 6.9697 7.0753 7.0753 7.0832 7.0832 8.3876 8.3876 8.3917 8.3917 8.6160 8.6160 8.7074 8.7074 k = 0.0417 0.0200 0.0133 ( 22312 PWs) bands (ev): -64.2915 -64.2915 -64.2914 -64.2914 -36.3603 -36.3603 -36.3588 -36.3588 -35.4117 -35.4117 -35.4111 -35.4111 -35.3487 -35.3487 -35.3452 -35.3452 -6.2050 -6.2050 -4.9681 -4.9681 -3.9245 -3.9245 -3.9170 -3.9170 -3.8749 -3.8749 -3.8676 -3.8676 -2.0793 -2.0793 -0.1388 -0.1388 1.6877 1.6877 1.9471 1.9471 2.1551 2.1551 2.3278 2.3278 2.4621 2.4621 2.5881 2.5881 3.2813 3.2813 4.7533 4.7533 4.7717 4.7717 4.8514 4.8514 4.9028 4.9028 5.2410 5.2410 5.4049 5.4049 5.6340 5.6340 6.0642 6.0642 6.6615 6.6615 6.7418 6.7418 6.7654 6.7654 6.8173 6.8173 6.8407 6.8407 6.9674 6.9674 7.0729 7.0729 7.0794 7.0794 8.3977 8.3977 8.4001 8.4001 8.6217 8.6217 8.6915 8.6915 k = 0.0208 0.0100 0.0067 ( 22291 PWs) bands (ev): -64.2912 -64.2912 -64.2910 -64.2910 -36.3602 -36.3602 -36.3587 -36.3587 -35.4116 -35.4116 -35.4111 -35.4111 -35.3487 -35.3487 -35.3451 -35.3451 -6.2072 -6.2072 -4.9636 -4.9636 -3.9246 -3.9246 -3.9170 -3.9170 -3.8748 -3.8748 -3.8674 -3.8674 -2.0809 -2.0809 -0.1390 -0.1390 1.6783 1.6783 1.9467 1.9467 2.1545 2.1545 2.3248 2.3248 2.4659 2.4659 2.5840 2.5840 3.2756 3.2756 4.7761 4.7761 4.7891 4.7891 4.8342 4.8342 4.8905 4.8905 5.2489 5.2489 5.4076 5.4076 5.6360 5.6360 6.0777 6.0777 6.6872 6.6872 6.7428 6.7428 6.7696 6.7696 6.8173 6.8173 6.8217 6.8217 6.9671 6.9671 7.0716 7.0716 7.0773 7.0773 8.4048 8.4048 8.4060 8.4060 8.6289 8.6289 8.6781 8.6781 k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -64.2908 -64.2908 -64.2903 -64.2903 -36.3602 -36.3602 -36.3586 -36.3586 -35.4116 -35.4116 -35.4109 -35.4109 -35.3487 -35.3487 -35.3450 -35.3450 -6.2080 -6.2080 -4.9621 -4.9621 -3.9246 -3.9246 -3.9170 -3.9170 -3.8747 -3.8747 -3.8674 -3.8674 -2.0814 -2.0814 -0.1391 -0.1391 1.6753 1.6753 1.9465 1.9465 2.1544 2.1544 2.3238 2.3238 2.4672 2.4672 2.5827 2.5827 3.2737 3.2737 4.7888 4.7888 4.7963 4.7963 4.8241 4.8241 4.8856 4.8856 5.2516 5.2516 5.4086 5.4086 5.6368 5.6368 6.0822 6.0822 6.6978 6.6978 6.7444 6.7444 6.7742 6.7742 6.8118 6.8118 6.8175 6.8175 6.9668 6.9668 7.0713 7.0713 7.0766 7.0766 8.4077 8.4077 8.4086 8.4086 8.6330 8.6330 8.6728 8.6728 k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -64.2908 -64.2908 -64.2903 -64.2903 -36.3602 -36.3602 -36.3586 -36.3586 -35.4116 -35.4116 -35.4109 -35.4109 -35.3487 -35.3487 -35.3450 -35.3450 -6.2080 -6.2080 -4.9621 -4.9621 -3.9246 -3.9246 -3.9170 -3.9170 -3.8747 -3.8747 -3.8674 -3.8674 -2.0814 -2.0814 -0.1391 -0.1391 1.6753 1.6753 1.9465 1.9465 2.1544 2.1544 2.3238 2.3238 2.4672 2.4672 2.5827 2.5827 3.2737 3.2737 4.7888 4.7888 4.7963 4.7963 4.8241 4.8241 4.8856 4.8856 5.2516 5.2516 5.4086 5.4086 5.6368 5.6368 6.0822 6.0822 6.6978 6.6978 6.7444 6.7444 6.7742 6.7742 6.8118 6.8118 6.8175 6.8175 6.9668 6.9668 7.0713 7.0713 7.0766 7.0766 8.4077 8.4077 8.4086 8.4086 8.6330 8.6330 8.6728 8.6728 k = 0.0106-0.0085-0.0204 ( 22277 PWs) bands (ev): -64.2908 -64.2908 -64.2908 -64.2908 -36.3602 -36.3602 -36.3587 -36.3587 -35.4116 -35.4116 -35.4110 -35.4110 -35.3487 -35.3487 -35.3451 -35.3451 -6.2069 -6.2069 -4.9614 -4.9614 -3.9269 -3.9269 -3.9194 -3.9194 -3.8749 -3.8749 -3.8678 -3.8678 -2.0792 -2.0792 -0.1393 -0.1393 1.6757 1.6757 1.9482 1.9482 2.1552 2.1552 2.3134 2.3134 2.4710 2.4710 2.5982 2.5982 3.2773 3.2773 4.7796 4.7796 4.7998 4.7998 4.8215 4.8215 4.8868 4.8868 5.2537 5.2537 5.4058 5.4058 5.6331 5.6331 6.0772 6.0772 6.6921 6.6921 6.7404 6.7404 6.7612 6.7612 6.8140 6.8140 6.8253 6.8253 6.9674 6.9674 7.0714 7.0714 7.0769 7.0769 8.4051 8.4051 8.4092 8.4092 8.6098 8.6098 8.6922 8.6922 k = 0.0212-0.0170-0.0408 ( 22293 PWs) bands (ev): -64.2914 -64.2914 -64.2908 -64.2908 -36.3602 -36.3602 -36.3588 -36.3588 -35.4116 -35.4116 -35.4111 -35.4111 -35.3486 -35.3486 -35.3452 -35.3452 -6.2037 -6.2037 -4.9591 -4.9591 -3.9347 -3.9347 -3.9249 -3.9249 -3.8758 -3.8758 -3.8691 -3.8691 -2.0728 -2.0728 -0.1399 -0.1399 1.6771 1.6771 1.9527 1.9527 2.1575 2.1575 2.2885 2.2885 2.4828 2.4828 2.6385 2.6385 3.2880 3.2880 4.7621 4.7621 4.7995 4.7995 4.8173 4.8173 4.8898 4.8898 5.2593 5.2593 5.3977 5.3977 5.6223 5.6223 6.0621 6.0621 6.6715 6.6715 6.7317 6.7317 6.7410 6.7410 6.8184 6.8184 6.8368 6.8368 6.9686 6.9686 7.0713 7.0713 7.0782 7.0782 8.3971 8.3971 8.4123 8.4123 8.5756 8.5756 8.7177 8.7177 k = 0.0319-0.0255-0.0613 ( 22307 PWs) bands (ev): -64.2917 -64.2917 -64.2910 -64.2910 -36.3602 -36.3602 -36.3588 -36.3588 -35.4116 -35.4116 -35.4111 -35.4111 -35.3487 -35.3487 -35.3453 -35.3453 -6.1983 -6.1983 -4.9553 -4.9553 -3.9487 -3.9487 -3.9323 -3.9323 -3.8778 -3.8778 -3.8716 -3.8716 -2.0623 -2.0623 -0.1408 -0.1408 1.6798 1.6798 1.9589 1.9589 2.1602 2.1602 2.2606 2.2606 2.5030 2.5030 2.6937 2.6937 3.3055 3.3055 4.7381 4.7381 4.7924 4.7924 4.8147 4.8147 4.8932 4.8932 5.2669 5.2669 5.3850 5.3850 5.6053 5.6053 6.0367 6.0367 6.6321 6.6321 6.7189 6.7189 6.7294 6.7294 6.8222 6.8222 6.8463 6.8463 6.9701 6.9701 7.0701 7.0701 7.0808 7.0808 8.3814 8.3814 8.4165 8.4165 8.5467 8.5467 8.7365 8.7365 k = 0.0425-0.0341-0.0817 ( 22317 PWs) bands (ev): -64.2917 -64.2917 -64.2913 -64.2913 -36.3602 -36.3602 -36.3589 -36.3589 -35.4117 -35.4117 -35.4111 -35.4111 -35.3487 -35.3487 -35.3453 -35.3453 -6.1908 -6.1908 -4.9500 -4.9500 -3.9677 -3.9677 -3.9416 -3.9416 -3.8812 -3.8812 -3.8754 -3.8754 -2.0478 -2.0478 -0.1420 -0.1420 1.6840 1.6840 1.9649 1.9649 2.1586 2.1586 2.2419 2.2419 2.5312 2.5312 2.7579 2.7579 3.3296 3.3296 4.7084 4.7084 4.7815 4.7815 4.8116 4.8116 4.8958 4.8958 5.2734 5.2734 5.3693 5.3693 5.5832 5.5832 6.0010 6.0010 6.5789 6.5789 6.7049 6.7049 6.7232 6.7232 6.8234 6.8234 6.8543 6.8543 6.9727 6.9727 7.0687 7.0687 7.0846 7.0846 8.3567 8.3567 8.4208 8.4208 8.5276 8.5276 8.7484 8.7484 k = 0.0531-0.0426-0.1021 ( 22313 PWs) bands (ev): -64.2916 -64.2916 -64.2913 -64.2913 -36.3602 -36.3602 -36.3588 -36.3588 -35.4117 -35.4117 -35.4111 -35.4111 -35.3486 -35.3486 -35.3453 -35.3453 -6.1812 -6.1812 -4.9432 -4.9432 -3.9911 -3.9911 -3.9530 -3.9530 -3.8866 -3.8866 -3.8801 -3.8801 -2.0297 -2.0297 -0.1433 -0.1433 1.6900 1.6900 1.9687 1.9687 2.1467 2.1467 2.2434 2.2434 2.5670 2.5670 2.8283 2.8283 3.3596 3.3596 4.6741 4.6741 4.7690 4.7690 4.8057 4.8057 4.8973 4.8973 5.2742 5.2742 5.3535 5.3535 5.5575 5.5575 5.9555 5.9555 6.5182 6.5182 6.6907 6.6907 6.7183 6.7183 6.8205 6.8205 6.8618 6.8618 6.9767 6.9767 7.0685 7.0685 7.0895 7.0895 8.3254 8.3254 8.4249 8.4249 8.5188 8.5188 8.7550 8.7550 k = 0.0637-0.0511-0.1225 ( 22309 PWs) bands (ev): -64.2917 -64.2917 -64.2911 -64.2911 -36.3602 -36.3602 -36.3589 -36.3589 -35.4117 -35.4117 -35.4111 -35.4111 -35.3485 -35.3485 -35.3454 -35.3454 -6.1695 -6.1695 -4.9349 -4.9349 -4.0183 -4.0183 -3.9665 -3.9665 -3.8941 -3.8941 -3.8857 -3.8857 -2.0084 -2.0084 -0.1445 -0.1445 1.6982 1.6982 1.9685 1.9685 2.1288 2.1288 2.2639 2.2639 2.6099 2.6099 2.9030 2.9030 3.3950 3.3950 4.6364 4.6364 4.7548 4.7548 4.7953 4.7953 4.8976 4.8976 5.2646 5.2646 5.3408 5.3408 5.5295 5.5295 5.9018 5.9018 6.4543 6.4543 6.6762 6.6762 6.7132 6.7132 6.8132 6.8132 6.8693 6.8693 6.9821 6.9821 7.0685 7.0685 7.0948 7.0948 8.2902 8.2902 8.4279 8.4279 8.5174 8.5174 8.7587 8.7587 k = 0.0743-0.0596-0.1429 ( 22309 PWs) bands (ev): -64.2917 -64.2917 -64.2911 -64.2911 -36.3602 -36.3602 -36.3589 -36.3589 -35.4117 -35.4117 -35.4112 -35.4112 -35.3485 -35.3485 -35.3454 -35.3454 -6.1557 -6.1557 -4.9253 -4.9253 -4.0488 -4.0488 -3.9818 -3.9818 -3.9037 -3.9037 -3.8921 -3.8921 -1.9841 -1.9841 -0.1455 -0.1455 1.7087 1.7087 1.9631 1.9631 2.1129 2.1129 2.2972 2.2972 2.6595 2.6595 2.9813 2.9813 3.4351 3.4351 4.5960 4.5960 4.7385 4.7385 4.7788 4.7788 4.8969 4.8969 5.2451 5.2451 5.3289 5.3289 5.5003 5.5003 5.8435 5.8435 6.3906 6.3906 6.6613 6.6613 6.7082 6.7082 6.8018 6.8018 6.8758 6.8758 6.9877 6.9877 7.0686 7.0686 7.0999 7.0999 8.2548 8.2548 8.4289 8.4289 8.5194 8.5194 8.7611 8.7611 k = 0.0850-0.0681-0.1634 ( 22319 PWs) bands (ev): -64.2920 -64.2920 -64.2912 -64.2912 -36.3602 -36.3602 -36.3589 -36.3589 -35.4117 -35.4117 -35.4112 -35.4112 -35.3485 -35.3485 -35.3455 -35.3455 -6.1399 -6.1399 -4.9144 -4.9144 -4.0821 -4.0821 -3.9990 -3.9990 -3.9150 -3.9150 -3.8996 -3.8996 -1.9573 -1.9573 -0.1462 -0.1462 1.7219 1.7219 1.9528 1.9528 2.1023 2.1023 2.3399 2.3399 2.7153 2.7153 3.0623 3.0623 3.4792 3.4792 4.5538 4.5538 4.7184 4.7184 4.7552 4.7552 4.8952 4.8952 5.2209 5.2209 5.3112 5.3112 5.4696 5.4696 5.7864 5.7864 6.3285 6.3285 6.6453 6.6453 6.7022 6.7022 6.7871 6.7871 6.8812 6.8812 6.9936 6.9936 7.0692 7.0692 7.1044 7.1044 8.2209 8.2209 8.4283 8.4283 8.5220 8.5220 8.7628 8.7628 k = 0.0956-0.0766-0.1838 ( 22311 PWs) bands (ev): -64.2921 -64.2921 -64.2908 -64.2908 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4112 -35.4112 -35.3483 -35.3483 -35.3455 -35.3455 -6.1221 -6.1221 -4.9022 -4.9022 -4.1180 -4.1180 -4.0178 -4.0178 -3.9279 -3.9279 -3.9080 -3.9080 -1.9283 -1.9283 -0.1462 -0.1462 1.7377 1.7377 1.9393 1.9393 2.0974 2.0974 2.3902 2.3902 2.7769 2.7769 3.1455 3.1455 3.5265 3.5265 4.5104 4.5104 4.6907 4.6907 4.7274 4.7274 4.8932 4.8932 5.1950 5.1950 5.2834 5.2834 5.4354 5.4354 5.7385 5.7385 6.2692 6.2692 6.6285 6.6285 6.6957 6.6957 6.7704 6.7704 6.8862 6.8862 7.0003 7.0003 7.0705 7.0705 7.1087 7.1087 8.1907 8.1907 8.4271 8.4271 8.5241 8.5241 8.7648 8.7648 k = 0.1062-0.0851-0.2042 ( 22309 PWs) bands (ev): -64.2922 -64.2922 -64.2907 -64.2907 -36.3601 -36.3601 -36.3590 -36.3590 -35.4116 -35.4116 -35.4112 -35.4112 -35.3483 -35.3483 -35.3456 -35.3456 -6.1024 -6.1024 -4.8888 -4.8888 -4.1558 -4.1558 -4.0382 -4.0382 -3.9421 -3.9421 -3.9174 -3.9174 -1.8975 -1.8975 -0.1455 -0.1455 1.7562 1.7562 1.9248 1.9248 2.0973 2.0973 2.4468 2.4468 2.8435 2.8435 3.2301 3.2301 3.5762 3.5762 4.4661 4.4661 4.6484 4.6484 4.7007 4.7007 4.8914 4.8914 5.1643 5.1643 5.2475 5.2475 5.3968 5.3968 5.7056 5.7056 6.2128 6.2128 6.6104 6.6104 6.6885 6.6885 6.7513 6.7513 6.8899 6.8899 7.0070 7.0070 7.0722 7.0722 7.1121 7.1121 8.1642 8.1642 8.4236 8.4236 8.5237 8.5237 8.7678 8.7678 k = 0.1168-0.0936-0.2246 ( 22299 PWs) bands (ev): -64.2919 -64.2919 -64.2906 -64.2906 -36.3600 -36.3600 -36.3590 -36.3590 -35.4116 -35.4116 -35.4112 -35.4112 -35.3482 -35.3482 -35.3456 -35.3456 -6.0807 -6.0807 -4.8744 -4.8744 -4.1953 -4.1953 -4.0599 -4.0599 -3.9576 -3.9576 -3.9278 -3.9278 -1.8652 -1.8652 -0.1440 -0.1440 1.7773 1.7773 1.9109 1.9109 2.1011 2.1011 2.5086 2.5086 2.9148 2.9148 3.3155 3.3155 3.6272 3.6272 4.4212 4.4212 4.5918 4.5918 4.6761 4.6761 4.8897 4.8897 5.1167 5.1167 5.2159 5.2159 5.3567 5.3567 5.6878 5.6878 6.1594 6.1594 6.5908 6.5908 6.6812 6.6812 6.7296 6.7296 6.8928 6.8928 7.0128 7.0128 7.0744 7.0744 7.1154 7.1154 8.1422 8.1422 8.4191 8.4191 8.5204 8.5204 8.7715 8.7715 k = 0.1274-0.1022-0.2450 ( 22287 PWs) bands (ev): -64.2919 -64.2919 -64.2902 -64.2902 -36.3600 -36.3600 -36.3590 -36.3590 -35.4115 -35.4115 -35.4112 -35.4112 -35.3481 -35.3481 -35.3456 -35.3456 -6.0573 -6.0573 -4.8589 -4.8589 -4.2361 -4.2361 -4.0829 -4.0829 -3.9740 -3.9740 -3.9391 -3.9391 -1.8318 -1.8318 -0.1416 -0.1416 1.8008 1.8008 1.8993 1.8993 2.1081 2.1081 2.5744 2.5744 2.9900 2.9900 3.4009 3.4009 3.6787 3.6787 4.3754 4.3754 4.5257 4.5257 4.6508 4.6508 4.8875 4.8875 5.0462 5.0462 5.1975 5.1975 5.3191 5.3191 5.6806 5.6806 6.1090 6.1090 6.5696 6.5696 6.6731 6.6731 6.7062 6.7062 6.8945 6.8945 7.0190 7.0190 7.0764 7.0764 7.1176 7.1176 8.1243 8.1243 8.4142 8.4142 8.5150 8.5150 8.7749 8.7749 k = 0.1381-0.1107-0.2655 ( 22279 PWs) bands (ev): -64.2921 -64.2921 -64.2898 -64.2898 -36.3599 -36.3599 -36.3590 -36.3590 -35.4114 -35.4114 -35.4112 -35.4112 -35.3480 -35.3480 -35.3457 -35.3457 -6.0320 -6.0320 -4.8427 -4.8427 -4.2776 -4.2776 -4.1069 -4.1069 -3.9913 -3.9913 -3.9512 -3.9512 -1.7976 -1.7976 -0.1381 -0.1381 1.8261 1.8261 1.8913 1.8913 2.1181 2.1181 2.6431 2.6431 3.0684 3.0684 3.4851 3.4851 3.7293 3.7293 4.3277 4.3277 4.4560 4.4560 4.6227 4.6227 4.8804 4.8804 4.9663 4.9663 5.1859 5.1859 5.2875 5.2875 5.6790 5.6790 6.0617 6.0617 6.5470 6.5470 6.6630 6.6630 6.6821 6.6821 6.8953 6.8953 7.0245 7.0245 7.0788 7.0788 7.1192 7.1192 8.1098 8.1098 8.4082 8.4082 8.5068 8.5068 8.7779 8.7779 k = 0.1487-0.1192-0.2859 ( 22279 PWs) bands (ev): -64.2920 -64.2920 -64.2899 -64.2899 -36.3599 -36.3599 -36.3591 -36.3591 -35.4114 -35.4114 -35.4112 -35.4112 -35.3479 -35.3479 -35.3458 -35.3458 -6.0052 -6.0052 -4.8259 -4.8259 -4.3197 -4.3197 -4.1319 -4.1319 -4.0091 -4.0091 -3.9641 -3.9641 -1.7627 -1.7627 -0.1335 -0.1335 1.8500 1.8500 1.8904 1.8904 2.1308 2.1308 2.7133 2.7133 3.1493 3.1493 3.5665 3.5665 3.7775 3.7775 4.2748 4.2748 4.3908 4.3908 4.5899 4.5899 4.8404 4.8404 4.9158 4.9158 5.1733 5.1733 5.2652 5.2652 5.6788 5.6788 6.0181 6.0181 6.5230 6.5230 6.6435 6.6435 6.6652 6.6652 6.8942 6.8942 7.0289 7.0289 7.0811 7.0811 7.1205 7.1205 8.0989 8.0989 8.4007 8.4007 8.4963 8.4963 8.7797 8.7797 k = 0.1593-0.1277-0.3063 ( 22286 PWs) bands (ev): -64.2920 -64.2920 -64.2902 -64.2902 -36.3599 -36.3599 -36.3591 -36.3591 -35.4115 -35.4115 -35.4112 -35.4112 -35.3479 -35.3479 -35.3458 -35.3458 -5.9768 -5.9768 -4.8086 -4.8086 -4.3618 -4.3618 -4.1574 -4.1574 -4.0274 -4.0274 -3.9776 -3.9776 -1.7276 -1.7276 -0.1278 -0.1278 1.8636 1.8636 1.9058 1.9058 2.1463 2.1463 2.7833 2.7833 3.2318 3.2318 3.6427 3.6427 3.8218 3.8218 4.2136 4.2136 4.3389 4.3389 4.5483 4.5483 4.7638 4.7638 4.9073 4.9073 5.1548 5.1548 5.2549 5.2549 5.6772 5.6772 5.9786 5.9786 6.4979 6.4979 6.6145 6.6145 6.6561 6.6561 6.8915 6.8915 7.0323 7.0323 7.0832 7.0832 7.1212 7.1212 8.0904 8.0904 8.3923 8.3923 8.4846 8.4846 8.7800 8.7800 k = 0.1699-0.1362-0.3267 ( 22290 PWs) bands (ev): -64.2921 -64.2921 -64.2902 -64.2902 -36.3599 -36.3599 -36.3591 -36.3591 -35.4115 -35.4115 -35.4113 -35.4113 -35.3478 -35.3478 -35.3459 -35.3459 -5.9469 -5.9469 -4.7911 -4.7911 -4.4038 -4.4038 -4.1835 -4.1835 -4.0457 -4.0457 -3.9918 -3.9918 -1.6924 -1.6924 -0.1211 -0.1211 1.8685 1.8685 1.9359 1.9359 2.1643 2.1643 2.8508 2.8508 3.3147 3.3147 3.7094 3.7094 3.8603 3.8603 4.1477 4.1477 4.3045 4.3045 4.4927 4.4927 4.6933 4.6933 4.9076 4.9076 5.1309 5.1309 5.2548 5.2548 5.6725 5.6725 5.9439 5.9439 6.4724 6.4724 6.5822 6.5822 6.6486 6.6486 6.8873 6.8873 7.0349 7.0349 7.0851 7.0851 7.1217 7.1217 8.0838 8.0838 8.3834 8.3834 8.4735 8.4735 8.7789 8.7789 k = 0.1805-0.1447-0.3471 ( 22290 PWs) bands (ev): -64.2918 -64.2918 -64.2905 -64.2905 -36.3599 -36.3599 -36.3591 -36.3591 -35.4115 -35.4115 -35.4113 -35.4113 -35.3478 -35.3478 -35.3459 -35.3459 -5.9158 -5.9158 -4.7737 -4.7737 -4.4451 -4.4451 -4.2098 -4.2098 -4.0639 -4.0639 -4.0065 -4.0065 -1.6574 -1.6574 -0.1133 -0.1133 1.8734 1.8734 1.9721 1.9721 2.1850 2.1850 2.9124 2.9124 3.3966 3.3966 3.7598 3.7598 3.8909 3.8909 4.0888 4.0888 4.2860 4.2860 4.4230 4.4230 4.6407 4.6407 4.9101 4.9101 5.1049 5.1049 5.2607 5.2607 5.6633 5.6633 5.9143 5.9143 6.4464 6.4464 6.5485 6.5485 6.6421 6.6421 6.8814 6.8814 7.0367 7.0367 7.0869 7.0869 7.1226 7.1226 8.0786 8.0786 8.3741 8.3741 8.4641 8.4641 8.7762 8.7762 k = 0.1912-0.1532-0.3676 ( 22294 PWs) bands (ev): -64.2918 -64.2918 -64.2907 -64.2907 -36.3599 -36.3599 -36.3592 -36.3592 -35.4115 -35.4115 -35.4113 -35.4113 -35.3478 -35.3478 -35.3460 -35.3460 -5.8836 -5.8836 -4.7569 -4.7569 -4.4856 -4.4856 -4.2362 -4.2362 -4.0817 -4.0817 -4.0216 -4.0216 -1.6228 -1.6228 -0.1045 -0.1045 1.8809 1.8809 2.0116 2.0116 2.2083 2.2083 2.9636 2.9636 3.4753 3.4753 3.7864 3.7864 3.9076 3.9076 4.0527 4.0527 4.2761 4.2761 4.3532 4.3532 4.6038 4.6038 4.9130 4.9130 5.0793 5.0793 5.2696 5.2696 5.6498 5.6498 5.8891 5.8891 6.4198 6.4198 6.5145 6.5145 6.6357 6.6357 6.8734 6.8734 7.0378 7.0378 7.0892 7.0892 7.1238 7.1238 8.0731 8.0731 8.3642 8.3642 8.4567 8.4567 8.7712 8.7712 k = 0.2018-0.1617-0.3880 ( 22312 PWs) bands (ev): -64.2924 -64.2924 -64.2908 -64.2908 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3477 -35.3477 -35.3461 -35.3461 -5.8505 -5.8505 -4.7408 -4.7408 -4.5247 -4.5247 -4.2624 -4.2624 -4.0985 -4.0985 -4.0371 -4.0371 -1.5888 -1.5888 -0.0948 -0.0948 1.8916 1.8916 2.0538 2.0538 2.2340 2.2340 2.9987 2.9987 3.5476 3.5476 3.7912 3.7912 3.9032 3.9032 4.0454 4.0454 4.2440 4.2440 4.3280 4.3280 4.5778 4.5778 4.9153 4.9153 5.0553 5.0553 5.2796 5.2796 5.6330 5.6330 5.8671 5.8671 6.3918 6.3918 6.4819 6.4819 6.6284 6.6284 6.8633 6.8633 7.0385 7.0385 7.0910 7.0910 7.1250 7.1250 8.0665 8.0665 8.3543 8.3543 8.4528 8.4528 8.7630 8.7630 k = 0.2124-0.1703-0.4084 ( 22298 PWs) bands (ev): -64.2920 -64.2920 -64.2907 -64.2907 -36.3598 -36.3598 -36.3592 -36.3592 -35.4115 -35.4115 -35.4114 -35.4114 -35.3476 -35.3476 -35.3461 -35.3461 -5.8167 -5.8167 -4.7262 -4.7262 -4.5622 -4.5622 -4.2882 -4.2882 -4.1142 -4.1142 -4.0528 -4.0528 -1.5557 -1.5557 -0.0845 -0.0845 1.9056 1.9056 2.0983 2.0983 2.2623 2.2623 3.0119 3.0119 3.6075 3.6075 3.7879 3.7879 3.8877 3.8877 4.0363 4.0363 4.2101 4.2101 4.3476 4.3476 4.5603 4.5603 4.9167 4.9167 5.0344 5.0344 5.2896 5.2896 5.6149 5.6149 5.8472 5.8472 6.3615 6.3615 6.4539 6.4539 6.6237 6.6237 6.8517 6.8517 7.0394 7.0394 7.0933 7.0933 7.1273 7.1273 8.0590 8.0590 8.3461 8.3461 8.4527 8.4527 8.7502 8.7502 k = 0.2230-0.1788-0.4288 ( 22294 PWs) bands (ev): -64.2918 -64.2918 -64.2907 -64.2907 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3475 -35.3475 -35.3462 -35.3462 -5.7825 -5.7825 -4.7134 -4.7134 -4.5977 -4.5977 -4.3135 -4.3135 -4.1281 -4.1281 -4.0685 -4.0685 -1.5238 -1.5238 -0.0735 -0.0735 1.9229 1.9229 2.1447 2.1447 2.2930 2.2930 2.9998 2.9998 3.6464 3.6464 3.7837 3.7837 3.8762 3.8762 4.0053 4.0053 4.2148 4.2148 4.3809 4.3809 4.5507 4.5507 4.9158 4.9158 5.0169 5.0169 5.2985 5.2985 5.5970 5.5970 5.8280 5.8280 6.3275 6.3275 6.4315 6.4315 6.6186 6.6186 6.8377 6.8377 7.0396 7.0396 7.0945 7.0945 7.1299 7.1299 8.0497 8.0497 8.3398 8.3398 8.4563 8.4563 8.7242 8.7242 k = 0.2336-0.1873-0.4492 ( 22308 PWs) bands (ev): -64.2920 -64.2920 -64.2910 -64.2910 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3475 -35.3475 -35.3463 -35.3463 -5.7484 -5.7484 -4.7030 -4.7030 -4.6307 -4.6307 -4.3381 -4.3381 -4.1400 -4.1400 -4.0842 -4.0842 -1.4931 -1.4931 -0.0621 -0.0621 1.9435 1.9435 2.1924 2.1924 2.3261 2.3261 2.9643 2.9643 3.6551 3.6551 3.7684 3.7684 3.8755 3.8755 3.9874 3.9874 4.2411 4.2411 4.4184 4.4184 4.5490 4.5490 4.9122 4.9122 5.0030 5.0030 5.3055 5.3055 5.5806 5.5806 5.8095 5.8095 6.2897 6.2897 6.4151 6.4151 6.6135 6.6135 6.8208 6.8208 7.0395 7.0395 7.0950 7.0950 7.1327 7.1327 8.0385 8.0385 8.3348 8.3348 8.4620 8.4620 8.6812 8.6812 k = 0.2442-0.1958-0.4697 ( 22298 PWs) bands (ev): -64.2916 -64.2916 -64.2911 -64.2911 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3474 -35.3474 -35.3463 -35.3463 -5.7146 -5.7146 -4.6956 -4.6956 -4.6608 -4.6608 -4.3618 -4.3618 -4.1495 -4.1495 -4.0994 -4.0994 -1.4641 -1.4641 -0.0506 -0.0506 1.9673 1.9673 2.2411 2.2411 2.3615 2.3615 2.9113 2.9113 3.6246 3.6246 3.7472 3.7472 3.8745 3.8745 4.0111 4.0111 4.2738 4.2738 4.4557 4.4557 4.5558 4.5558 4.9066 4.9066 4.9920 4.9920 5.3104 5.3104 5.5656 5.5656 5.7924 5.7924 6.2500 6.2500 6.4045 6.4045 6.6092 6.6092 6.8031 6.8031 7.0403 7.0403 7.0952 7.0952 7.1365 7.1365 8.0267 8.0267 8.3320 8.3320 8.4699 8.4699 8.6315 8.6315 k = 0.2549-0.2043-0.4901 ( 22300 PWs) bands (ev): -64.2917 -64.2917 -64.2911 -64.2911 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3473 -35.3473 -35.3464 -35.3464 -5.6816 -5.6816 -4.6921 -4.6921 -4.6869 -4.6869 -4.3846 -4.3846 -4.1566 -4.1566 -4.1137 -4.1137 -1.4370 -1.4370 -0.0390 -0.0390 1.9943 1.9943 2.2898 2.2898 2.3991 2.3991 2.8481 2.8481 3.5618 3.5618 3.7273 3.7273 3.8745 3.8745 4.0604 4.0604 4.3081 4.3081 4.4894 4.4894 4.5706 4.5706 4.8999 4.8999 4.9820 4.9820 5.3136 5.3136 5.5511 5.5511 5.7785 5.7785 6.2089 6.2089 6.3987 6.3987 6.6050 6.6050 6.7834 6.7834 7.0409 7.0409 7.0942 7.0942 7.1396 7.1396 8.0150 8.0150 8.3285 8.3285 8.4776 8.4776 8.5847 8.5847 k = 0.2655-0.2128-0.5105 ( 22294 PWs) bands (ev): -64.2916 -64.2916 -64.2910 -64.2910 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3472 -35.3472 -35.3464 -35.3464 -5.6500 -5.6500 -4.7107 -4.7107 -4.6906 -4.6906 -4.4065 -4.4065 -4.1624 -4.1624 -4.1256 -4.1256 -1.4119 -1.4119 -0.0278 -0.0278 2.0243 2.0243 2.3368 2.3368 2.4383 2.4383 2.7820 2.7820 3.4848 3.4848 3.7053 3.7053 3.8764 3.8764 4.1169 4.1169 4.3428 4.3428 4.5183 4.5183 4.5918 4.5918 4.8938 4.8938 4.9713 4.9713 5.3154 5.3154 5.5356 5.5356 5.7696 5.7696 6.1678 6.1678 6.3966 6.3966 6.6010 6.6010 6.7626 6.7626 7.0423 7.0423 7.0925 7.0925 7.1428 7.1428 8.0045 8.0045 8.3224 8.3224 8.4796 8.4796 8.5512 8.5512 k = 0.2761-0.2213-0.5309 ( 22276 PWs) bands (ev): -64.2911 -64.2911 -64.2909 -64.2909 -36.3596 -36.3596 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3471 -35.3471 -35.3464 -35.3464 -5.6204 -5.6204 -4.7289 -4.7289 -4.6936 -4.6936 -4.4276 -4.4276 -4.1693 -4.1693 -4.1326 -4.1326 -1.3892 -1.3892 -0.0169 -0.0169 2.0572 2.0572 2.3793 2.3793 2.4777 2.4777 2.7211 2.7211 3.4036 3.4036 3.6816 3.6816 3.8761 3.8761 4.1722 4.1722 4.3773 4.3773 4.5423 4.5423 4.6166 4.6166 4.8893 4.8893 4.9589 4.9589 5.3163 5.3163 5.5188 5.5188 5.7662 5.7662 6.1275 6.1275 6.3976 6.3976 6.5969 6.5969 6.7418 6.7418 7.0440 7.0440 7.0915 7.0915 7.1471 7.1471 7.9965 7.9965 8.3102 8.3102 8.4676 8.4676 8.5413 8.5413 k = 0.2867-0.2298-0.5513 ( 22282 PWs) bands (ev): -64.2912 -64.2912 -64.2910 -64.2910 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3471 -35.3471 -35.3464 -35.3464 -5.5934 -5.5934 -4.7422 -4.7422 -4.6997 -4.6997 -4.4480 -4.4480 -4.1794 -4.1794 -4.1326 -4.1326 -1.3690 -1.3690 -0.0068 -0.0068 2.0927 2.0927 2.4099 2.4099 2.5143 2.5143 2.6782 2.6782 3.3225 3.3225 3.6574 3.6574 3.8717 3.8717 4.2210 4.2210 4.4105 4.4105 4.5611 4.5611 4.6425 4.6425 4.8859 4.8859 4.9445 4.9445 5.3158 5.3158 5.5024 5.5024 5.7668 5.7668 6.0884 6.0884 6.4006 6.4006 6.5926 6.5926 6.7203 6.7203 7.0455 7.0455 7.0898 7.0898 7.1506 7.1506 7.9914 7.9914 8.2885 8.2885 8.4514 8.4514 8.5453 8.5453 k = 0.2973-0.2384-0.5718 ( 22286 PWs) bands (ev): -64.2912 -64.2912 -64.2912 -64.2912 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3470 -35.3470 -35.3465 -35.3465 -5.5696 -5.5696 -4.7501 -4.7501 -4.7085 -4.7085 -4.4677 -4.4677 -4.1920 -4.1920 -4.1266 -4.1266 -1.3517 -1.3517 0.0023 0.0023 2.1308 2.1308 2.4137 2.4137 2.5461 2.5461 2.6714 2.6714 3.2442 3.2442 3.6340 3.6340 3.8632 3.8632 4.2601 4.2601 4.4412 4.4412 4.5748 4.5748 4.6678 4.6678 4.8827 4.8827 4.9296 4.9296 5.3134 5.3134 5.4902 5.4902 5.7680 5.7680 6.0518 6.0518 6.4058 6.4058 6.5883 6.5883 6.7002 6.7002 7.0468 7.0468 7.0881 7.0881 7.1538 7.1538 7.9905 7.9905 8.2592 8.2592 8.4413 8.4413 8.5518 8.5518 k = 0.3080-0.2469-0.5922 ( 22296 PWs) bands (ev): -64.2914 -64.2914 -64.2913 -64.2913 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3470 -35.3470 -35.3466 -35.3466 -5.5495 -5.5495 -4.7525 -4.7525 -4.7189 -4.7189 -4.4868 -4.4868 -4.2055 -4.2055 -4.1165 -4.1165 -1.3373 -1.3373 0.0103 0.0103 2.1710 2.1710 2.3851 2.3851 2.5800 2.5800 2.6999 2.6999 3.1704 3.1704 3.6119 3.6119 3.8517 3.8517 4.2881 4.2881 4.4676 4.4676 4.5830 4.5830 4.6910 4.6910 4.8764 4.8764 4.9165 4.9165 5.3088 5.3088 5.4858 5.4858 5.7655 5.7655 6.0193 6.0193 6.4122 6.4122 6.5840 6.5840 6.6819 6.6819 7.0473 7.0473 7.0866 7.0866 7.1566 7.1566 7.9941 7.9941 8.2259 8.2259 8.4371 8.4371 8.5565 8.5565 k = 0.3186-0.2554-0.6126 ( 22300 PWs) bands (ev): -64.2915 -64.2915 -64.2914 -64.2914 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3470 -35.3470 -35.3467 -35.3467 -5.5335 -5.5335 -4.7514 -4.7514 -4.7283 -4.7283 -4.5054 -4.5054 -4.2192 -4.2192 -4.1037 -4.1037 -1.3261 -1.3261 0.0169 0.0169 2.2129 2.2129 2.3404 2.3404 2.6181 2.6181 2.7449 2.7449 3.1033 3.1033 3.5914 3.5914 3.8382 3.8382 4.3052 4.3052 4.4877 4.4877 4.5857 4.5857 4.7103 4.7103 4.8649 4.8649 4.9067 4.9067 5.3037 5.3037 5.4905 5.4905 5.7553 5.7553 5.9921 5.9921 6.4193 6.4193 6.5805 6.5805 6.6676 6.6676 7.0469 7.0469 7.0858 7.0858 7.1594 7.1594 8.0023 8.0023 8.1919 8.1919 8.4372 8.4372 8.5594 8.5594 k = 0.3292-0.2639-0.6330 ( 22306 PWs) bands (ev): -64.2916 -64.2916 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4115 -35.4115 -35.4115 -35.4115 -35.3469 -35.3469 -35.3468 -35.3468 -5.5216 -5.5216 -4.7557 -4.7557 -4.7271 -4.7271 -4.5233 -4.5233 -4.2327 -4.2327 -4.0892 -4.0892 -1.3180 -1.3180 0.0220 0.0220 2.2537 2.2537 2.2952 2.2952 2.6575 2.6575 2.7931 2.7931 3.0468 3.0468 3.5730 3.5730 3.8241 3.8241 4.3123 4.3123 4.5002 4.5002 4.5830 4.5830 4.7236 4.7236 4.8500 4.8500 4.8980 4.8980 5.3006 5.3006 5.5030 5.5030 5.7357 5.7357 5.9698 5.9698 6.4263 6.4263 6.5779 6.5779 6.6584 6.6584 7.0464 7.0464 7.0862 7.0862 7.1628 7.1628 8.0147 8.0147 8.1593 8.1593 8.4391 8.4391 8.5598 8.5598 k = 0.3398-0.2724-0.6534 ( 22310 PWs) bands (ev): -64.2918 -64.2918 -64.2915 -64.2915 -36.3596 -36.3596 -36.3596 -36.3596 -35.4115 -35.4115 -35.4115 -35.4115 -35.3469 -35.3469 -35.3468 -35.3468 -5.5138 -5.5138 -4.7680 -4.7680 -4.7125 -4.7125 -4.5406 -4.5406 -4.2457 -4.2457 -4.0739 -4.0739 -1.3131 -1.3131 0.0255 0.0255 2.2412 2.2412 2.3068 2.3068 2.6949 2.6949 2.8322 2.8322 3.0109 3.0109 3.5566 3.5566 3.8102 3.8102 4.3106 4.3106 4.5046 4.5046 4.5756 4.5756 4.7284 4.7284 4.8355 4.8355 4.8887 4.8887 5.3008 5.3008 5.5196 5.5196 5.7086 5.7086 5.9501 5.9501 6.4323 6.4323 6.5777 6.5777 6.6553 6.6553 7.0451 7.0451 7.0876 7.0876 7.1665 7.1665 8.0301 8.0301 8.1300 8.1300 8.4419 8.4419 8.5596 8.5596 k = 0.3504-0.2809-0.6739 ( 22308 PWs) bands (ev): -64.2919 -64.2919 -64.2913 -64.2913 -36.3596 -36.3596 -36.3596 -36.3596 -35.4115 -35.4115 -35.4115 -35.4115 -35.3469 -35.3469 -35.3468 -35.3468 -5.5097 -5.5097 -4.7825 -4.7825 -4.6907 -4.6907 -4.5571 -4.5571 -4.2581 -4.2581 -4.0583 -4.0583 -1.3114 -1.3114 0.0273 0.0273 2.2013 2.2013 2.3515 2.3515 2.7252 2.7252 2.8473 2.8473 3.0137 3.0137 3.5424 3.5424 3.7977 3.7977 4.3011 4.3011 4.5006 4.5006 4.5649 4.5649 4.7224 4.7224 4.8237 4.8237 4.8798 4.8798 5.3037 5.3037 5.5336 5.5336 5.6807 5.6807 5.9298 5.9298 6.4371 6.4371 6.5811 6.5811 6.6582 6.6582 7.0438 7.0438 7.0897 7.0897 7.1707 7.1707 8.0439 8.0439 8.1086 8.1086 8.4447 8.4447 8.5600 8.5600 k = 0.3611-0.2894-0.6943 ( 22318 PWs) bands (ev): -64.2920 -64.2920 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4116 -35.4116 -35.4115 -35.4115 -35.3470 -35.3470 -35.3468 -35.3468 -5.5088 -5.5088 -4.7974 -4.7974 -4.6639 -4.6639 -4.5724 -4.5724 -4.2696 -4.2696 -4.0431 -4.0431 -1.3127 -1.3127 0.0275 0.0275 2.1659 2.1659 2.3973 2.3973 2.7366 2.7366 2.8508 2.8508 3.0527 3.0527 3.5302 3.5302 3.7874 3.7874 4.2847 4.2847 4.4876 4.4876 4.5527 4.5527 4.7052 4.7052 4.8142 4.8142 4.8740 4.8740 5.3075 5.3075 5.5329 5.5329 5.6635 5.6635 5.9067 5.9067 6.4397 6.4397 6.5885 6.5885 6.6670 6.6670 7.0410 7.0410 7.0917 7.0917 7.1747 7.1747 8.0432 8.0432 8.1068 8.1068 8.4458 8.4458 8.5624 8.5624 k = 0.6389-0.0494-0.5343 ( 22318 PWs) bands (ev): -64.2920 -64.2920 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4116 -35.4116 -35.4115 -35.4115 -35.3470 -35.3470 -35.3468 -35.3468 -5.5088 -5.5088 -4.7974 -4.7974 -4.6639 -4.6639 -4.5724 -4.5724 -4.2696 -4.2696 -4.0431 -4.0431 -1.3127 -1.3127 0.0275 0.0275 2.1659 2.1659 2.3973 2.3973 2.7366 2.7366 2.8508 2.8508 3.0527 3.0527 3.5302 3.5302 3.7874 3.7874 4.2847 4.2847 4.4876 4.4876 4.5527 4.5527 4.7052 4.7052 4.8142 4.8142 4.8740 4.8740 5.3075 5.3075 5.5329 5.5329 5.6635 5.6635 5.9067 5.9067 6.4397 6.4397 6.5885 6.5885 6.6670 6.6670 7.0411 7.0411 7.0917 7.0917 7.1746 7.1746 8.0432 8.0432 8.1068 8.1068 8.4458 8.4458 8.5624 8.5624 k = 0.6282-0.0272-0.5343 ( 22314 PWs) bands (ev): -64.2919 -64.2919 -64.2915 -64.2915 -36.3596 -36.3596 -36.3595 -36.3595 -35.4116 -35.4116 -35.4115 -35.4115 -35.3470 -35.3470 -35.3467 -35.3467 -5.5105 -5.5105 -4.8123 -4.8123 -4.6345 -4.6345 -4.5853 -4.5853 -4.2803 -4.2803 -4.0288 -4.0288 -1.3167 -1.3167 0.0260 0.0260 2.1365 2.1365 2.4422 2.4422 2.7228 2.7228 2.8698 2.8698 3.1075 3.1075 3.5201 3.5201 3.7802 3.7802 4.2626 4.2626 4.4664 4.4664 4.5399 4.5399 4.6794 4.6794 4.8060 4.8060 4.8728 4.8728 5.3100 5.3100 5.5092 5.5092 5.6645 5.6645 5.8806 5.8806 6.4407 6.4407 6.6004 6.6004 6.6811 6.6811 7.0389 7.0389 7.0948 7.0948 7.1794 7.1794 8.0268 8.0268 8.1259 8.1259 8.4449 8.4449 8.5681 8.5681 k = 0.6176-0.0049-0.5343 ( 22304 PWs) bands (ev): -64.2917 -64.2917 -64.2914 -64.2914 -36.3596 -36.3596 -36.3594 -36.3594 -35.4115 -35.4115 -35.4114 -35.4114 -35.3471 -35.3471 -35.3466 -35.3466 -5.5142 -5.5142 -4.8267 -4.8267 -4.6152 -4.6152 -4.5842 -4.5842 -4.2898 -4.2898 -4.0161 -4.0161 -1.3231 -1.3231 0.0230 0.0230 2.1135 2.1135 2.4827 2.4827 2.6996 2.6996 2.9002 2.9002 3.1667 3.1667 3.5120 3.5120 3.7769 3.7769 4.2359 4.2359 4.4389 4.4389 4.5260 4.5260 4.6489 4.6489 4.7986 4.7986 4.8756 4.8756 5.3084 5.3084 5.4713 5.4713 5.6737 5.6737 5.8540 5.8540 6.4399 6.4399 6.6162 6.6162 6.7000 6.7000 7.0365 7.0365 7.0988 7.0988 7.1845 7.1845 8.0062 8.0062 8.1527 8.1527 8.4413 8.4413 8.5774 8.5774 k = 0.6069 0.0174-0.5343 ( 22312 PWs) bands (ev): -64.2917 -64.2917 -64.2916 -64.2916 -36.3597 -36.3597 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3472 -35.3472 -35.3465 -35.3465 -5.5192 -5.5192 -4.8403 -4.8403 -4.6215 -4.6215 -4.5548 -4.5548 -4.2978 -4.2978 -4.0053 -4.0053 -1.3315 -1.3315 0.0186 0.0186 2.0969 2.0969 2.5124 2.5124 2.6838 2.6838 2.9337 2.9337 3.2255 3.2255 3.5060 3.5060 3.7784 3.7784 4.2060 4.2060 4.4073 4.4073 4.5097 4.5097 4.6165 4.6165 4.7919 4.7919 4.8807 4.8807 5.2994 5.2994 5.4310 5.4310 5.6775 5.6775 5.8315 5.8315 6.4374 6.4374 6.6339 6.6339 6.7218 6.7218 7.0332 7.0332 7.1029 7.1029 7.1892 7.1892 7.9854 7.9854 8.1816 8.1816 8.4351 8.4351 8.5888 8.5888 k = 0.5962 0.0396-0.5343 ( 22306 PWs) bands (ev): -64.2917 -64.2917 -64.2914 -64.2914 -36.3597 -36.3597 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3472 -35.3472 -35.3465 -35.3465 -5.5251 -5.5251 -4.8530 -4.8530 -4.6324 -4.6324 -4.5191 -4.5191 -4.3039 -4.3039 -3.9968 -3.9968 -1.3415 -1.3415 0.0132 0.0132 2.0864 2.0864 2.5222 2.5222 2.6879 2.6879 2.9669 2.9669 3.2807 3.2807 3.5029 3.5029 3.7852 3.7852 4.1750 4.1750 4.3732 4.3732 4.4901 4.4901 4.5854 4.5854 4.7860 4.7860 4.8878 4.8878 5.2791 5.2791 5.3967 5.3967 5.6680 5.6680 5.8188 5.8188 6.4343 6.4343 6.6534 6.6534 6.7461 6.7461 7.0298 7.0298 7.1077 7.1077 7.1937 7.1937 7.9655 7.9655 8.2106 8.2106 8.4291 8.4291 8.6014 8.6014 k = 0.5855 0.0619-0.5343 ( 22302 PWs) bands (ev): -64.2915 -64.2915 -64.2914 -64.2914 -36.3597 -36.3597 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3472 -35.3472 -35.3464 -35.3464 -5.5314 -5.5314 -4.8647 -4.8647 -4.6431 -4.6431 -4.4836 -4.4836 -4.3073 -4.3073 -3.9910 -3.9910 -1.3524 -1.3524 0.0071 0.0071 2.0815 2.0815 2.5118 2.5118 2.7131 2.7131 2.9983 2.9983 3.3285 3.3285 3.5046 3.5046 3.7975 3.7975 4.1445 4.1445 4.3379 4.3379 4.4664 4.4664 4.5577 4.5577 4.7803 4.7803 4.8963 4.8963 5.2465 5.2465 5.3711 5.3711 5.6451 5.6451 5.8162 5.8162 6.4311 6.4311 6.6725 6.6725 6.7712 6.7712 7.0261 7.0261 7.1127 7.1127 7.1974 7.1974 7.9467 7.9467 8.2376 8.2376 8.4244 8.4244 8.6122 8.6122 k = 0.5748 0.0842-0.5343 ( 22294 PWs) bands (ev): -64.2914 -64.2914 -64.2912 -64.2912 -36.3597 -36.3597 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3472 -35.3472 -35.3464 -35.3464 -5.5377 -5.5377 -4.8752 -4.8752 -4.6528 -4.6528 -4.4510 -4.4510 -4.3066 -4.3066 -3.9880 -3.9880 -1.3638 -1.3638 0.0004 0.0004 2.0815 2.0815 2.4910 2.4910 2.7493 2.7493 3.0269 3.0269 3.3642 3.3642 3.5141 3.5141 3.8148 3.8148 4.1165 4.1165 4.3023 4.3023 4.4392 4.4392 4.5338 4.5338 4.7740 4.7740 4.9062 4.9062 5.2071 5.2071 5.3504 5.3504 5.6155 5.6155 5.8191 5.8191 6.4279 6.4279 6.6906 6.6906 6.7964 6.7964 7.0228 7.0228 7.1186 7.1186 7.2007 7.2007 7.9292 7.9292 8.2603 8.2603 8.4236 8.4236 8.6185 8.6185 k = 0.5641 0.1064-0.5343 ( 22288 PWs) bands (ev): -64.2913 -64.2913 -64.2912 -64.2912 -36.3597 -36.3597 -36.3593 -36.3593 -35.4116 -35.4116 -35.4113 -35.4113 -35.3472 -35.3472 -35.3464 -35.3464 -5.5437 -5.5437 -4.8845 -4.8845 -4.6614 -4.6614 -4.4245 -4.4245 -4.2999 -4.2999 -3.9880 -3.9880 -1.3749 -1.3749 -0.0062 -0.0062 2.0858 2.0858 2.4669 2.4669 2.7888 2.7888 3.0521 3.0521 3.3847 3.3847 3.5336 3.5336 3.8360 3.8360 4.0928 4.0928 4.2679 4.2679 4.4105 4.4105 4.5132 4.5132 4.7663 4.7663 4.9174 4.9174 5.1676 5.1676 5.3292 5.3292 5.5853 5.5853 5.8232 5.8232 6.4250 6.4250 6.7079 6.7079 6.8205 6.8205 7.0184 7.0184 7.1244 7.1244 7.2025 7.2025 7.9134 7.9134 8.2772 8.2772 8.4291 8.4291 8.6192 8.6192 k = 0.5534 0.1287-0.5343 ( 22296 PWs) bands (ev): -64.2915 -64.2915 -64.2913 -64.2913 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5492 -5.5492 -4.8924 -4.8924 -4.6689 -4.6689 -4.4063 -4.4063 -4.2857 -4.2857 -3.9909 -3.9909 -1.3855 -1.3855 -0.0127 -0.0127 2.0932 2.0932 2.4427 2.4427 2.8278 2.8278 3.0733 3.0733 3.3926 3.3926 3.5596 3.5596 3.8590 3.8590 4.0745 4.0745 4.2363 4.2363 4.3827 4.3827 4.4944 4.4944 4.7562 4.7562 4.9291 4.9291 5.1334 5.1334 5.3044 5.3044 5.5588 5.5588 5.8266 5.8266 6.4218 6.4218 6.7226 6.7226 6.8425 6.8425 7.0135 7.0135 7.1299 7.1299 7.2032 7.2032 7.8992 7.8992 8.2873 8.2873 8.4406 8.4406 8.6154 8.6154 k = 0.5427 0.1510-0.5343 ( 22282 PWs) bands (ev): -64.2912 -64.2912 -64.2911 -64.2911 -36.3597 -36.3597 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5539 -5.5539 -4.8990 -4.8990 -4.6750 -4.6750 -4.3961 -4.3961 -4.2654 -4.2654 -3.9962 -3.9962 -1.3948 -1.3948 -0.0185 -0.0185 2.1028 2.1028 2.4200 2.4200 2.8640 2.8640 3.0899 3.0899 3.3936 3.3936 3.5863 3.5863 3.8810 3.8810 4.0619 4.0619 4.2102 4.2102 4.3580 4.3580 4.4767 4.4767 4.7442 4.7442 4.9401 4.9401 5.1091 5.1091 5.2754 5.2754 5.5378 5.5378 5.8294 5.8294 6.4200 6.4200 6.7356 6.7356 6.8618 6.8618 7.0099 7.0099 7.1359 7.1359 7.2029 7.2029 7.8875 7.8875 8.2924 8.2924 8.4572 8.4572 8.6095 8.6095 k = 0.5321 0.1732-0.5343 ( 22286 PWs) bands (ev): -64.2913 -64.2913 -64.2911 -64.2911 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5577 -5.5577 -4.9042 -4.9042 -4.6798 -4.6798 -4.3912 -4.3912 -4.2431 -4.2431 -4.0032 -4.0032 -1.4025 -1.4025 -0.0233 -0.0233 2.1131 2.1131 2.4000 2.4000 2.8955 2.8955 3.1016 3.1016 3.3917 3.3917 3.6097 3.6097 3.8997 3.8997 4.0527 4.0527 4.1923 4.1923 4.3385 4.3385 4.4594 4.4594 4.7309 4.7309 4.9482 4.9482 5.0979 5.0979 5.2429 5.2429 5.5227 5.5227 5.8313 5.8313 6.4182 6.4182 6.7449 6.7449 6.8766 6.8766 7.0065 7.0065 7.1417 7.1417 7.2018 7.2018 7.8772 7.8772 8.2937 8.2937 8.4754 8.4754 8.6017 8.6017 k = 0.5214 0.1955-0.5343 ( 22270 PWs) bands (ev): -64.2911 -64.2911 -64.2907 -64.2907 -36.3597 -36.3597 -36.3592 -36.3592 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5604 -5.5604 -4.9079 -4.9079 -4.6832 -4.6832 -4.3891 -4.3891 -4.2230 -4.2230 -4.0107 -4.0107 -1.4083 -1.4083 -0.0270 -0.0270 2.1225 2.1225 2.3840 2.3840 2.9203 2.9203 3.1089 3.1089 3.3893 3.3893 3.6275 3.6275 3.9141 3.9141 4.0444 4.0444 4.1840 4.1840 4.3257 4.3257 4.4434 4.4434 4.7186 4.7186 4.9524 4.9524 5.1014 5.1014 5.2089 5.2089 5.5129 5.5129 5.8326 5.8326 6.4173 6.4173 6.7525 6.7525 6.8885 6.8885 7.0042 7.0042 7.1471 7.1471 7.2004 7.2004 7.8704 7.8704 8.2941 8.2941 8.4926 8.4926 8.5935 8.5935 k = 0.5107 0.2177-0.5343 ( 22284 PWs) bands (ev): -64.2914 -64.2914 -64.2910 -64.2910 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5622 -5.5622 -4.9101 -4.9101 -4.6853 -4.6853 -4.3883 -4.3883 -4.2089 -4.2089 -4.0166 -4.0166 -1.4119 -1.4119 -0.0293 -0.0293 2.1292 2.1292 2.3735 2.3735 2.9363 2.9363 3.1124 3.1124 3.3875 3.3875 3.6385 3.6385 3.9235 3.9235 4.0367 4.0367 4.1823 4.1823 4.3196 4.3196 4.4309 4.4309 4.7098 4.7098 4.9535 4.9535 5.1171 5.1171 5.1758 5.1758 5.5073 5.5073 5.8331 5.8331 6.4160 6.4160 6.7565 6.7565 6.8950 6.8950 7.0018 7.0018 7.1501 7.1501 7.1980 7.1980 7.8658 7.8658 8.2938 8.2938 8.5056 8.5056 8.5860 8.5860 k = 0.5000 0.2400-0.5343 ( 22282 PWs) bands (ev): -64.2914 -64.2914 -64.2909 -64.2909 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5627 -5.5627 -4.9108 -4.9108 -4.6860 -4.6860 -4.3880 -4.3880 -4.2038 -4.2038 -4.0189 -4.0189 -1.4131 -1.4131 -0.0301 -0.0301 2.1317 2.1317 2.3699 2.3699 2.9420 2.9420 3.1134 3.1134 3.3869 3.3869 3.6422 3.6422 3.9270 3.9270 4.0335 4.0335 4.1824 4.1824 4.3181 4.3181 4.4260 4.4260 4.7067 4.7067 4.9536 4.9536 5.1351 5.1351 5.1522 5.1522 5.5055 5.5055 5.8334 5.8334 6.4158 6.4158 6.7577 6.7577 6.8972 6.8972 7.0011 7.0011 7.1514 7.1514 7.1972 7.1972 7.8644 7.8644 8.2938 8.2938 8.5107 8.5107 8.5832 8.5832 k = 0.5000 0.2400-0.5343 ( 22282 PWs) bands (ev): -64.2914 -64.2914 -64.2909 -64.2909 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5627 -5.5627 -4.9108 -4.9108 -4.6860 -4.6860 -4.3880 -4.3880 -4.2038 -4.2038 -4.0189 -4.0189 -1.4131 -1.4131 -0.0301 -0.0301 2.1317 2.1317 2.3699 2.3699 2.9420 2.9420 3.1134 3.1134 3.3869 3.3869 3.6422 3.6422 3.9270 3.9270 4.0335 4.0335 4.1824 4.1824 4.3181 4.3181 4.4260 4.4260 4.7067 4.7067 4.9536 4.9536 5.1351 5.1351 5.1522 5.1522 5.5055 5.5055 5.8334 5.8334 6.4158 6.4158 6.7577 6.7577 6.8972 6.8972 7.0011 7.0011 7.1514 7.1514 7.1972 7.1972 7.8644 7.8644 8.2938 8.2938 8.5107 8.5107 8.5832 8.5832 k = 0.5154 0.2474-0.5165 ( 22282 PWs) bands (ev): -64.2913 -64.2913 -64.2909 -64.2909 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3473 -35.3473 -35.3463 -35.3463 -5.5629 -5.5629 -4.9108 -4.9108 -4.6895 -4.6895 -4.3842 -4.3842 -4.2032 -4.2032 -4.0188 -4.0188 -1.4137 -1.4137 -0.0306 -0.0306 2.1303 2.1303 2.3715 2.3715 2.9385 2.9385 3.1168 3.1168 3.3864 3.3864 3.6404 3.6404 3.9278 3.9278 4.0337 4.0337 4.1835 4.1835 4.3169 4.3169 4.4279 4.4279 4.7077 4.7077 4.9491 4.9491 5.1156 5.1156 5.1711 5.1711 5.5092 5.5092 5.8334 5.8334 6.4156 6.4156 6.7582 6.7582 6.8976 6.8976 7.0013 7.0013 7.1503 7.1503 7.1991 7.1991 7.8647 7.8647 8.2890 8.2890 8.5078 8.5078 8.5900 8.5900 k = 0.5309 0.2548-0.4988 ( 22288 PWs) bands (ev): -64.2916 -64.2916 -64.2909 -64.2909 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3473 -35.3473 -35.3463 -35.3463 -5.5635 -5.5635 -4.9106 -4.9106 -4.6992 -4.6992 -4.3733 -4.3733 -4.2016 -4.2016 -4.0185 -4.0185 -1.4155 -1.4155 -0.0321 -0.0321 2.1263 2.1263 2.3759 2.3759 2.9293 2.9293 3.1259 3.1259 3.3850 3.3850 3.6352 3.6352 3.9299 3.9299 4.0345 4.0345 4.1866 4.1866 4.3137 4.3137 4.4327 4.4327 4.7108 4.7108 4.9355 4.9355 5.0907 5.0907 5.1946 5.1946 5.5196 5.5196 5.8334 5.8334 6.4155 6.4155 6.7587 6.7587 6.8981 6.8981 7.0029 7.0029 7.1483 7.1483 7.2017 7.2017 7.8655 7.8655 8.2750 8.2750 8.5031 8.5031 8.6059 8.6059 k = 0.5463 0.2622-0.4810 ( 22294 PWs) bands (ev): -64.2917 -64.2917 -64.2909 -64.2909 -36.3597 -36.3597 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3473 -35.3473 -35.3463 -35.3463 -5.5646 -5.5646 -4.9107 -4.9107 -4.7131 -4.7131 -4.3571 -4.3571 -4.1989 -4.1989 -4.0180 -4.0180 -1.4186 -1.4186 -0.0347 -0.0347 2.1204 2.1204 2.3821 2.3821 2.9164 2.9164 3.1386 3.1386 3.3834 3.3834 3.6267 3.6267 3.9323 3.9323 4.0361 4.0361 4.1917 4.1917 4.3099 4.3099 4.4391 4.4391 4.7159 4.7159 4.9134 4.9134 5.0685 5.0685 5.2163 5.2163 5.5355 5.5355 5.8333 5.8333 6.4153 6.4153 6.7596 6.7596 6.8992 6.8992 7.0050 7.0050 7.1460 7.1460 7.2073 7.2073 7.8670 7.8670 8.2525 8.2525 8.5011 8.5011 8.6249 8.6249 k = 0.5617 0.2696-0.4632 ( 22311 PWs) bands (ev): -64.2920 -64.2920 -64.2913 -64.2913 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3463 -35.3463 -5.5663 -5.5663 -4.9115 -4.9115 -4.7290 -4.7290 -4.3374 -4.3374 -4.1949 -4.1949 -4.0173 -4.0173 -1.4229 -1.4229 -0.0381 -0.0381 2.1133 2.1133 2.3887 2.3887 2.9021 2.9021 3.1527 3.1527 3.3819 3.3819 3.6151 3.6151 3.9338 3.9338 4.0387 4.0387 4.1982 4.1982 4.3071 4.3071 4.4454 4.4454 4.7227 4.7227 4.8851 4.8851 5.0506 5.0506 5.2359 5.2359 5.5551 5.5551 5.8332 5.8332 6.4145 6.4145 6.7612 6.7612 6.9006 6.9006 7.0075 7.0075 7.1427 7.1427 7.2137 7.2137 7.8682 7.8682 8.2238 8.2238 8.5027 8.5027 8.6435 8.6435 k = 0.5772 0.2771-0.4454 ( 22317 PWs) bands (ev): -64.2920 -64.2920 -64.2914 -64.2914 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3463 -35.3463 -5.5687 -5.5687 -4.9136 -4.9136 -4.7443 -4.7443 -4.3160 -4.3160 -4.1896 -4.1896 -4.0164 -4.0164 -1.4284 -1.4284 -0.0424 -0.0424 2.1057 2.1057 2.3942 2.3942 2.8879 2.8879 3.1667 3.1667 3.3812 3.3812 3.6007 3.6007 3.9332 3.9332 4.0425 4.0425 4.2052 4.2052 4.3073 4.3073 4.4506 4.4506 4.7299 4.7299 4.8545 4.8545 5.0371 5.0371 5.2541 5.2541 5.5767 5.5767 5.8334 5.8334 6.4142 6.4142 6.7634 6.7634 6.9029 6.9029 7.0115 7.0115 7.1396 7.1396 7.2214 7.2214 7.8698 7.8698 8.1920 8.1920 8.5061 8.5061 8.6604 8.6604 k = 0.5926 0.2845-0.4277 ( 22303 PWs) bands (ev): -64.2918 -64.2918 -64.2912 -64.2912 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3463 -35.3463 -5.5720 -5.5720 -4.9178 -4.9178 -4.7571 -4.7571 -4.2943 -4.2943 -4.1828 -4.1828 -4.0153 -4.0153 -1.4350 -1.4350 -0.0475 -0.0475 2.0982 2.0982 2.3973 2.3973 2.8750 2.8750 3.1799 3.1799 3.3813 3.3813 3.5841 3.5841 3.9297 3.9297 4.0470 4.0470 4.2116 4.2116 4.3122 4.3122 4.4542 4.4542 4.7344 4.7344 4.8274 4.8274 5.0283 5.0283 5.2714 5.2714 5.5986 5.5986 5.8343 5.8343 6.4149 6.4149 6.7659 6.7659 6.9059 6.9059 7.0162 7.0162 7.1371 7.1371 7.2307 7.2307 7.8712 7.8712 8.1599 8.1599 8.5095 8.5095 8.6754 8.6754 k = 0.6081 0.2919-0.4099 ( 22299 PWs) bands (ev): -64.2917 -64.2917 -64.2911 -64.2911 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3462 -35.3462 -5.5765 -5.5765 -4.9247 -4.9247 -4.7657 -4.7657 -4.2733 -4.2733 -4.1741 -4.1741 -4.0140 -4.0140 -1.4427 -1.4427 -0.0533 -0.0533 2.0909 2.0909 2.3969 2.3969 2.8638 2.8638 3.1917 3.1917 3.3820 3.3820 3.5659 3.5659 3.9230 3.9230 4.0510 4.0510 4.2169 4.2169 4.3226 4.3226 4.4559 4.4559 4.7294 4.7294 4.8124 4.8124 5.0243 5.0243 5.2879 5.2879 5.6189 5.6189 5.8360 5.8360 6.4161 6.4161 6.7683 6.7683 6.9092 6.9092 7.0212 7.0212 7.1341 7.1341 7.2397 7.2397 7.8714 7.8714 8.1296 8.1296 8.5113 8.5113 8.6869 8.6869 k = 0.6235 0.2993-0.3921 ( 22299 PWs) bands (ev): -64.2918 -64.2918 -64.2910 -64.2910 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3474 -35.3474 -35.3463 -35.3463 -5.5825 -5.5825 -4.9342 -4.9342 -4.7692 -4.7692 -4.2539 -4.2539 -4.1634 -4.1634 -4.0124 -4.0124 -1.4516 -1.4516 -0.0596 -0.0596 2.0842 2.0842 2.3924 2.3924 2.8541 2.8541 3.2019 3.2019 3.3823 3.3823 3.5474 3.5474 3.9134 3.9134 4.0533 4.0533 4.2213 4.2213 4.3378 4.3378 4.4561 4.4561 4.7130 4.7130 4.8129 4.8129 5.0256 5.0256 5.3040 5.3040 5.6363 5.6363 5.8392 5.8392 6.4179 6.4179 6.7703 6.7703 6.9127 6.9127 7.0268 7.0268 7.1315 7.1315 7.2501 7.2501 7.8694 7.8694 8.1030 8.1030 8.5105 8.5105 8.6940 8.6940 k = 0.6389 0.3067-0.3743 ( 22295 PWs) bands (ev): -64.2918 -64.2918 -64.2909 -64.2909 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3475 -35.3475 -35.3462 -35.3462 -5.5901 -5.5901 -4.9455 -4.9455 -4.7679 -4.7679 -4.2367 -4.2367 -4.1508 -4.1508 -4.0106 -4.0106 -1.4615 -1.4615 -0.0664 -0.0664 2.0780 2.0780 2.3838 2.3838 2.8455 2.8455 3.2098 3.2098 3.3812 3.3812 3.5306 3.5306 3.9011 3.9011 4.0534 4.0534 4.2253 4.2253 4.3562 4.3562 4.4564 4.4564 4.6927 4.6927 4.8226 4.8226 5.0327 5.0327 5.3198 5.3198 5.6497 5.6497 5.8441 5.8441 6.4209 6.4209 6.7723 6.7723 6.9168 6.9168 7.0322 7.0322 7.1290 7.1290 7.2602 7.2602 7.8658 7.8658 8.0824 8.0824 8.5079 8.5079 8.6963 8.6963 k = 0.6389 0.3067-0.3743 ( 22295 PWs) bands (ev): -64.2918 -64.2918 -64.2909 -64.2909 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3475 -35.3475 -35.3462 -35.3462 -5.5901 -5.5901 -4.9455 -4.9455 -4.7679 -4.7679 -4.2367 -4.2367 -4.1508 -4.1508 -4.0106 -4.0106 -1.4615 -1.4615 -0.0664 -0.0664 2.0780 2.0780 2.3838 2.3838 2.8455 2.8455 3.2098 3.2098 3.3812 3.3812 3.5306 3.5306 3.9011 3.9011 4.0534 4.0534 4.2253 4.2253 4.3562 4.3562 4.4564 4.4564 4.6927 4.6927 4.8226 4.8226 5.0327 5.0327 5.3198 5.3198 5.6497 5.6497 5.8441 5.8441 6.4209 6.4209 6.7723 6.7723 6.9168 6.9168 7.0322 7.0322 7.1290 7.1290 7.2602 7.2602 7.8658 7.8658 8.0824 8.0824 8.5079 8.5079 8.6963 8.6963 k = 0.6329 0.3038-0.3511 ( 22288 PWs) bands (ev): -64.2916 -64.2916 -64.2909 -64.2909 -36.3598 -36.3598 -36.3592 -36.3592 -35.4115 -35.4115 -35.4113 -35.4113 -35.3475 -35.3475 -35.3462 -35.3462 -5.6051 -5.6051 -4.9749 -4.9749 -4.7394 -4.7394 -4.2214 -4.2214 -4.1355 -4.1355 -4.0039 -4.0039 -1.4740 -1.4740 -0.0701 -0.0701 2.0667 2.0667 2.3571 2.3571 2.8501 2.8501 3.2536 3.2536 3.3641 3.3641 3.5113 3.5113 3.8722 3.8722 4.0467 4.0467 4.2230 4.2230 4.3633 4.3633 4.4538 4.4538 4.6784 4.6784 4.8096 4.8096 5.0377 5.0377 5.3472 5.3472 5.6358 5.6358 5.8624 5.8624 6.4432 6.4432 6.7769 6.7769 6.9203 6.9203 7.0349 7.0349 7.1222 7.1222 7.2771 7.2771 7.8455 7.8455 8.0787 8.0787 8.5018 8.5018 8.7004 8.7004 k = 0.6269 0.3009-0.3279 ( 22297 PWs) bands (ev): -64.2918 -64.2918 -64.2910 -64.2910 -36.3598 -36.3598 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3476 -35.3476 -35.3461 -35.3461 -5.6237 -5.6237 -5.0046 -5.0046 -4.7051 -4.7051 -4.2072 -4.2072 -4.1181 -4.1181 -3.9959 -3.9959 -1.4896 -1.4896 -0.0743 -0.0743 2.0530 2.0530 2.3286 2.3286 2.8573 2.8573 3.2449 3.2449 3.3770 3.3770 3.5062 3.5062 3.8389 3.8389 4.0334 4.0334 4.2226 4.2226 4.3672 4.3672 4.4592 4.4592 4.6586 4.6586 4.8054 4.8054 5.0520 5.0520 5.3684 5.3684 5.6306 5.6306 5.8764 5.8764 6.4707 6.4707 6.7813 6.7813 6.9231 6.9231 7.0370 7.0370 7.1163 7.1163 7.2936 7.2936 7.8243 7.8243 8.0815 8.0815 8.4902 8.4902 8.6950 8.6950 k = 0.6208 0.2980-0.3046 ( 22302 PWs) bands (ev): -64.2919 -64.2919 -64.2910 -64.2910 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4113 -35.4113 -35.3477 -35.3477 -35.3461 -35.3461 -5.6449 -5.6449 -5.0342 -5.0342 -4.6662 -4.6662 -4.1937 -4.1937 -4.0992 -4.0992 -3.9869 -3.9869 -1.5079 -1.5079 -0.0787 -0.0787 2.0381 2.0381 2.3003 2.3003 2.8649 2.8649 3.1946 3.1946 3.4063 3.4063 3.5142 3.5142 3.8051 3.8051 4.0127 4.0127 4.2222 4.2222 4.3621 4.3621 4.4820 4.4820 4.6375 4.6375 4.8105 4.8105 5.0724 5.0724 5.3774 5.3774 5.6411 5.6411 5.8842 5.8842 6.5032 6.5032 6.7868 6.7868 6.9258 6.9258 7.0385 7.0385 7.1120 7.1120 7.3093 7.3093 7.8047 7.8047 8.0913 8.0913 8.4747 8.4747 8.6829 8.6829 k = 0.6148 0.2951-0.2814 ( 22306 PWs) bands (ev): -64.2920 -64.2920 -64.2910 -64.2910 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4114 -35.4114 -35.3477 -35.3477 -35.3460 -35.3460 -5.6678 -5.6678 -5.0633 -5.0633 -4.6236 -4.6236 -4.1805 -4.1805 -4.0797 -4.0797 -3.9768 -3.9768 -1.5289 -1.5289 -0.0832 -0.0832 2.0232 2.0232 2.2732 2.2732 2.8712 2.8712 3.1314 3.1314 3.4126 3.4126 3.5420 3.5420 3.7738 3.7738 3.9862 3.9862 4.2156 4.2156 4.3567 4.3567 4.5167 4.5167 4.6236 4.6236 4.8224 4.8224 5.0959 5.0959 5.3731 5.3731 5.6687 5.6687 5.8854 5.8854 6.5399 6.5399 6.7916 6.7916 6.9281 6.9281 7.0392 7.0392 7.1101 7.1101 7.3240 7.3240 7.7880 7.7880 8.1065 8.1065 8.4564 8.4564 8.6661 8.6661 k = 0.6087 0.2922-0.2582 ( 22307 PWs) bands (ev): -64.2920 -64.2920 -64.2910 -64.2910 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4114 -35.4114 -35.3478 -35.3478 -35.3459 -35.3459 -5.6918 -5.6918 -5.0917 -5.0917 -4.5782 -4.5782 -4.1672 -4.1672 -4.0601 -4.0601 -3.9658 -3.9658 -1.5522 -1.5522 -0.0877 -0.0877 2.0092 2.0092 2.2482 2.2482 2.8749 2.8749 3.0638 3.0638 3.3912 3.3912 3.5819 3.5819 3.7473 3.7473 3.9581 3.9581 4.1979 4.1979 4.3601 4.3601 4.5459 4.5459 4.6321 4.6321 4.8396 4.8396 5.1202 5.1202 5.3604 5.3604 5.7086 5.7086 5.8815 5.8815 6.5787 6.5787 6.7972 6.7972 6.9300 6.9300 7.0384 7.0384 7.1106 7.1106 7.3370 7.3370 7.7758 7.7758 8.1270 8.1270 8.4356 8.4356 8.6458 8.6458 k = 0.6027 0.2893-0.2349 ( 22306 PWs) bands (ev): -64.2921 -64.2921 -64.2909 -64.2909 -36.3599 -36.3599 -36.3592 -36.3592 -35.4116 -35.4116 -35.4114 -35.4114 -35.3478 -35.3478 -35.3459 -35.3459 -5.7163 -5.7163 -5.1192 -5.1192 -4.5308 -4.5308 -4.1538 -4.1538 -4.0411 -4.0411 -3.9541 -3.9541 -1.5778 -1.5778 -0.0920 -0.0920 1.9970 1.9970 2.2258 2.2258 2.8751 2.8751 2.9950 2.9950 3.3519 3.3519 3.6115 3.6115 3.7324 3.7324 3.9339 3.9339 4.1708 4.1708 4.3721 4.3721 4.5544 4.5544 4.6747 4.6747 4.8625 4.8625 5.1424 5.1424 5.3462 5.3462 5.7528 5.7528 5.8765 5.8765 6.6189 6.6189 6.8032 6.8032 6.9314 6.9314 7.0355 7.0355 7.1126 7.1126 7.3484 7.3484 7.7684 7.7684 8.1515 8.1515 8.4133 8.4133 8.6239 8.6239 k = 0.5967 0.2864-0.2117 ( 22320 PWs) bands (ev): -64.2924 -64.2924 -64.2911 -64.2911 -36.3600 -36.3600 -36.3592 -36.3592 -35.4117 -35.4117 -35.4114 -35.4114 -35.3479 -35.3479 -35.3459 -35.3459 -5.7408 -5.7408 -5.1458 -5.1458 -4.4820 -4.4820 -4.1399 -4.1399 -4.0229 -4.0229 -3.9418 -3.9418 -1.6053 -1.6053 -0.0960 -0.0960 1.9874 1.9874 2.2061 2.2061 2.8692 2.8692 2.9290 2.9290 3.3009 3.3009 3.6023 3.6023 3.7480 3.7480 3.9183 3.9183 4.1398 4.1398 4.3883 4.3883 4.5552 4.5552 4.7319 4.7319 4.8934 4.8934 5.1588 5.1588 5.3372 5.3372 5.7870 5.7870 5.8821 5.8821 6.6583 6.6583 6.8088 6.8088 6.9317 6.9317 7.0308 7.0308 7.1153 7.1153 7.3571 7.3571 7.7675 7.7675 8.1775 8.1775 8.3891 8.3891 8.6009 8.6009 k = 0.5906 0.2835-0.1885 ( 22306 PWs) bands (ev): -64.2922 -64.2922 -64.2907 -64.2907 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4114 -35.4114 -35.3479 -35.3479 -35.3458 -35.3458 -5.7650 -5.7650 -5.1711 -5.1711 -4.4324 -4.4324 -4.1256 -4.1256 -4.0057 -4.0057 -3.9294 -3.9294 -1.6344 -1.6344 -0.0996 -0.0996 1.9809 1.9809 2.1891 2.1891 2.8388 2.8388 2.8854 2.8854 3.2425 3.2425 3.5576 3.5576 3.7859 3.7859 3.9124 3.9124 4.1104 4.1104 4.4056 4.4056 4.5574 4.5574 4.7859 4.7859 4.9374 4.9374 5.1668 5.1668 5.3397 5.3397 5.7928 5.7928 5.9164 5.9164 6.6964 6.6964 6.8159 6.8159 6.9323 6.9323 7.0261 7.0261 7.1186 7.1186 7.3632 7.3632 7.7747 7.7747 8.2047 8.2047 8.3648 8.3648 8.5806 8.5806 k = 0.5846 0.2806-0.1653 ( 22317 PWs) bands (ev): -64.2924 -64.2924 -64.2909 -64.2909 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4114 -35.4114 -35.3480 -35.3480 -35.3458 -35.3458 -5.7885 -5.7885 -5.1953 -5.1953 -4.3825 -4.3825 -4.1109 -4.1109 -3.9894 -3.9894 -3.9172 -3.9172 -1.6647 -1.6647 -0.1026 -0.1026 1.9779 1.9779 2.1748 2.1748 2.7781 2.7781 2.8711 2.8711 3.1798 3.1798 3.4960 3.4960 3.8232 3.8232 3.9148 3.9148 4.0885 4.0885 4.4223 4.4223 4.5621 4.5621 4.8274 4.8274 4.9949 4.9949 5.1674 5.1674 5.3554 5.3554 5.7793 5.7793 5.9698 5.9698 6.7313 6.7313 6.8237 6.8237 6.9309 6.9309 7.0195 7.0195 7.1197 7.1197 7.3667 7.3667 7.7891 7.7891 8.2276 8.2276 8.3394 8.3394 8.5648 8.5648 k = 0.5785 0.2777-0.1420 ( 22318 PWs) bands (ev): -64.2925 -64.2925 -64.2909 -64.2909 -36.3600 -36.3600 -36.3591 -36.3591 -35.4116 -35.4116 -35.4114 -35.4114 -35.3481 -35.3481 -35.3457 -35.3457 -5.8110 -5.8110 -5.2180 -5.2180 -4.3329 -4.3329 -4.0957 -4.0957 -3.9741 -3.9741 -3.9055 -3.9055 -1.6959 -1.6959 -0.1049 -0.1049 1.9786 1.9786 2.1631 2.1631 2.7140 2.7140 2.8605 2.8605 3.1148 3.1148 3.4259 3.4259 3.8428 3.8428 3.9276 3.9276 4.0823 4.0823 4.4377 4.4377 4.5691 4.5691 4.8565 4.8565 5.0555 5.0555 5.1701 5.1701 5.3822 5.3822 5.7610 5.7610 6.0297 6.0297 6.7610 6.7610 6.8340 6.8340 6.9295 6.9295 7.0127 7.0127 7.1198 7.1198 7.3675 7.3675 7.8121 7.8121 8.2427 8.2427 8.3154 8.3154 8.5577 8.5577 k = 0.5725 0.2748-0.1188 ( 22332 PWs) bands (ev): -64.2930 -64.2930 -64.2908 -64.2908 -36.3601 -36.3601 -36.3592 -36.3592 -35.4116 -35.4116 -35.4115 -35.4115 -35.3481 -35.3481 -35.3457 -35.3457 -5.8325 -5.8325 -5.2393 -5.2393 -4.2840 -4.2840 -4.0802 -4.0802 -3.9598 -3.9598 -3.8948 -3.8948 -1.7277 -1.7277 -0.1066 -0.1066 1.9833 1.9833 2.1537 2.1537 2.6519 2.6519 2.8493 2.8493 3.0493 3.0493 3.3517 3.3517 3.8369 3.8369 3.9484 3.9484 4.0980 4.0980 4.4517 4.4517 4.5774 4.5774 4.8755 4.8755 5.0965 5.0965 5.1934 5.1934 5.4157 5.4157 5.7455 5.7455 6.0917 6.0917 6.7835 6.7835 6.8481 6.8481 6.9269 6.9269 7.0052 7.0052 7.1176 7.1176 7.3643 7.3643 7.8425 7.8425 8.2451 8.2451 8.2944 8.2944 8.5627 8.5627 k = 0.5664 0.2719-0.0956 ( 22328 PWs) bands (ev): -64.2930 -64.2930 -64.2907 -64.2907 -36.3601 -36.3601 -36.3591 -36.3591 -35.4117 -35.4117 -35.4115 -35.4115 -35.3481 -35.3481 -35.3457 -35.3457 -5.8527 -5.8527 -5.2592 -5.2592 -4.2363 -4.2363 -4.0643 -4.0643 -3.9464 -3.9464 -3.8853 -3.8853 -1.7595 -1.7595 -0.1076 -0.1076 1.9920 1.9920 2.1464 2.1464 2.5933 2.5933 2.8372 2.8372 2.9845 2.9845 3.2757 3.2757 3.8144 3.8144 3.9689 3.9689 4.1338 4.1338 4.4646 4.4646 4.5866 4.5866 4.8858 4.8858 5.1119 5.1119 5.2403 5.2403 5.4493 5.4493 5.7418 5.7418 6.1547 6.1547 6.7982 6.7982 6.8665 6.8665 6.9248 6.9248 6.9977 6.9977 7.1142 7.1142 7.3587 7.3587 7.8811 7.8811 8.2338 8.2338 8.2775 8.2775 8.5806 8.5806 k = 0.5604 0.2690-0.0723 ( 22326 PWs) bands (ev): -64.2928 -64.2928 -64.2908 -64.2908 -36.3601 -36.3601 -36.3591 -36.3591 -35.4117 -35.4117 -35.4114 -35.4114 -35.3482 -35.3482 -35.3456 -35.3456 -5.8715 -5.8715 -5.2774 -5.2774 -4.1903 -4.1903 -4.0482 -4.0482 -3.9340 -3.9340 -3.8773 -3.8773 -1.7909 -1.7909 -0.1078 -0.1078 2.0046 2.0046 2.1407 2.1407 2.5389 2.5389 2.8239 2.8239 2.9217 2.9217 3.1996 3.1996 3.7839 3.7839 3.9869 3.9869 4.1817 4.1817 4.4763 4.4763 4.5965 4.5965 4.8875 4.8875 5.1214 5.1214 5.2890 5.2890 5.4708 5.4708 5.7616 5.7616 6.2179 6.2179 6.8077 6.8077 6.8849 6.8849 6.9230 6.9230 6.9903 6.9903 7.1088 7.1088 7.3495 7.3495 7.9259 7.9259 8.2135 8.2135 8.2623 8.2623 8.6089 8.6089 k = 0.5544 0.2661-0.0491 ( 22325 PWs) bands (ev): -64.2927 -64.2927 -64.2909 -64.2909 -36.3601 -36.3601 -36.3591 -36.3591 -35.4117 -35.4117 -35.4114 -35.4114 -35.3483 -35.3483 -35.3455 -35.3455 -5.8888 -5.8888 -5.2941 -5.2941 -4.1463 -4.1463 -4.0320 -4.0320 -3.9226 -3.9226 -3.8711 -3.8711 -1.8214 -1.8214 -0.1075 -0.1075 2.0209 2.0209 2.1364 2.1364 2.4896 2.4896 2.8077 2.8077 2.8636 2.8636 3.1250 3.1250 3.7506 3.7506 4.0032 4.0032 4.2352 4.2352 4.4870 4.4870 4.6071 4.6071 4.8818 4.8818 5.1328 5.1328 5.3302 5.3302 5.4730 5.4730 5.8109 5.8109 6.2808 6.2808 6.8137 6.8137 6.8969 6.8969 6.9256 6.9256 6.9837 6.9837 7.1024 7.1024 7.3371 7.3371 7.9736 7.9736 8.1901 8.1901 8.2495 8.2495 8.6433 8.6433 k = 0.5483 0.2632-0.0259 ( 22330 PWs) bands (ev): -64.2927 -64.2927 -64.2911 -64.2911 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3484 -35.3484 -35.3455 -35.3455 -5.9044 -5.9044 -5.3091 -5.3091 -4.1048 -4.1048 -4.0159 -4.0159 -3.9123 -3.9123 -3.8666 -3.8666 -1.8507 -1.8507 -0.1066 -0.1066 2.0402 2.0402 2.1336 2.1336 2.4461 2.4461 2.7788 2.7788 2.8207 2.8207 3.0529 3.0529 3.7170 3.7170 4.0182 4.0182 4.2899 4.2899 4.4966 4.4966 4.6188 4.6188 4.8707 4.8707 5.1461 5.1461 5.3608 5.3608 5.4619 5.4619 5.8823 5.8823 6.3432 6.3432 6.8174 6.8174 6.8974 6.8974 6.9355 6.9355 6.9782 6.9782 7.0953 7.0953 7.3202 7.3202 8.0184 8.0184 8.1661 8.1661 8.2459 8.2459 8.6800 8.6800 k = 0.5423 0.2603-0.0026 ( 22327 PWs) bands (ev): -64.2927 -64.2927 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3484 -35.3484 -35.3454 -35.3454 -5.9184 -5.9184 -5.3225 -5.3225 -4.0664 -4.0664 -3.9999 -3.9999 -3.9033 -3.9033 -3.8640 -3.8640 -1.8780 -1.8780 -0.1052 -0.1052 2.0612 2.0612 2.1328 2.1328 2.4090 2.4090 2.7306 2.7306 2.8002 2.8002 2.9847 2.9847 3.6849 3.6849 4.0320 4.0320 4.3432 4.3432 4.5049 4.5049 4.6327 4.6327 4.8568 4.8568 5.1593 5.1593 5.3738 5.3738 5.4539 5.4539 5.9644 5.9644 6.4054 6.4054 6.8192 6.8192 6.8915 6.8915 6.9453 6.9453 6.9762 6.9762 7.0893 7.0893 7.2997 7.2997 8.0510 8.0510 8.1427 8.1427 8.2619 8.2619 8.7161 8.7161 k = 0.5362 0.2574 0.0206 ( 22330 PWs) bands (ev): -64.2928 -64.2928 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3484 -35.3484 -35.3454 -35.3454 -5.9306 -5.9306 -5.3341 -5.3341 -4.0313 -4.0313 -3.9842 -3.9842 -3.8957 -3.8957 -3.8632 -3.8632 -1.9030 -1.9030 -0.1036 -0.1036 2.0801 2.0801 2.1373 2.1373 2.3787 2.3787 2.6783 2.6783 2.7867 2.7867 2.9217 2.9217 3.6554 3.6554 4.0444 4.0444 4.3924 4.3924 4.5121 4.5121 4.6498 4.6498 4.8416 4.8416 5.1693 5.1693 5.3629 5.3629 5.4622 5.4622 6.0483 6.0483 6.4674 6.4674 6.8188 6.8188 6.8826 6.8826 6.9484 6.9484 6.9812 6.9812 7.0837 7.0837 7.2748 7.2748 8.0654 8.0654 8.1200 8.1200 8.3037 8.3037 8.7490 8.7490 k = 0.5302 0.2545 0.0438 ( 22327 PWs) bands (ev): -64.2927 -64.2927 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3454 -35.3454 -5.9410 -5.9410 -5.3439 -5.3439 -4.0000 -4.0000 -3.9690 -3.9690 -3.8898 -3.8898 -3.8643 -3.8643 -1.9252 -1.9252 -0.1018 -0.1018 2.0902 2.0902 2.1530 2.1530 2.3554 2.3554 2.6271 2.6271 2.7749 2.7749 2.8658 2.8658 3.6292 3.6292 4.0554 4.0554 4.4353 4.4353 4.5182 4.5182 4.6710 4.6710 4.8268 4.8268 5.1732 5.1732 5.3414 5.3414 5.4794 5.4794 6.1282 6.1282 6.5292 6.5292 6.8168 6.8168 6.8733 6.8733 6.9461 6.9461 6.9906 6.9906 7.0789 7.0789 7.2458 7.2458 8.0656 8.0656 8.0994 8.0994 8.3663 8.3663 8.7774 8.7774 k = 0.5242 0.2516 0.0671 ( 22335 PWs) bands (ev): -64.2929 -64.2929 -64.2911 -64.2911 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3454 -35.3454 -5.9496 -5.9496 -5.3521 -5.3521 -3.9729 -3.9729 -3.9545 -3.9545 -3.8856 -3.8856 -3.8672 -3.8672 -1.9441 -1.9441 -0.1001 -0.1001 2.0912 2.0912 2.1796 2.1796 2.3390 2.3390 2.5776 2.5776 2.7624 2.7624 2.8202 2.8202 3.6070 3.6070 4.0647 4.0647 4.4694 4.4694 4.5234 4.5234 4.6966 4.6966 4.8133 4.8133 5.1678 5.1678 5.3222 5.3222 5.4966 5.4966 6.1996 6.1996 6.5907 6.5907 6.8113 6.8113 6.8631 6.8631 6.9428 6.9428 7.0008 7.0008 7.0748 7.0748 7.2133 7.2133 8.0596 8.0596 8.0815 8.0815 8.4402 8.4402 8.7982 8.7982 k = 0.5181 0.2487 0.0903 ( 22342 PWs) bands (ev): -64.2929 -64.2929 -64.2913 -64.2913 -36.3603 -36.3603 -36.3590 -36.3590 -35.4118 -35.4118 -35.4114 -35.4114 -35.3485 -35.3485 -35.3454 -35.3454 -5.9563 -5.9563 -5.3584 -5.3584 -3.9503 -3.9503 -3.9408 -3.9408 -3.8834 -3.8834 -3.8715 -3.8715 -1.9593 -1.9593 -0.0986 -0.0986 2.0884 2.0884 2.2112 2.2112 2.3293 2.3293 2.5300 2.5300 2.7458 2.7458 2.7897 2.7897 3.5893 3.5893 4.0722 4.0722 4.4937 4.4937 4.5286 4.5286 4.7250 4.7250 4.8019 4.8019 5.1528 5.1528 5.3102 5.3102 5.5115 5.5115 6.2589 6.2589 6.6505 6.6505 6.8046 6.8046 6.8524 6.8524 6.9390 6.9390 7.0112 7.0112 7.0717 7.0717 7.1780 7.1780 8.0519 8.0519 8.0670 8.0670 8.5192 8.5192 8.8101 8.8101 k = 0.5121 0.2458 0.1135 ( 22359 PWs) bands (ev): -64.2934 -64.2934 -64.2914 -64.2914 -36.3603 -36.3603 -36.3591 -36.3591 -35.4118 -35.4118 -35.4115 -35.4115 -35.3486 -35.3486 -35.3455 -35.3455 -5.9611 -5.9611 -5.3629 -5.3629 -3.9333 -3.9333 -3.9279 -3.9279 -3.8834 -3.8834 -3.8766 -3.8766 -1.9704 -1.9704 -0.0974 -0.0974 2.0848 2.0848 2.2418 2.2418 2.3272 2.3272 2.4854 2.4854 2.7259 2.7259 2.7750 2.7750 3.5763 3.5763 4.0776 4.0776 4.5076 4.5076 4.5342 4.5342 4.7518 4.7518 4.7937 4.7937 5.1330 5.1330 5.3047 5.3047 5.5223 5.5223 6.3035 6.3035 6.7059 6.7059 6.7963 6.7963 6.8391 6.8391 6.9369 6.9369 7.0225 7.0225 7.0695 7.0695 7.1422 7.1422 8.0446 8.0446 8.0571 8.0571 8.5979 8.5979 8.8076 8.8076 k = 0.5060 0.2429 0.1367 ( 22343 PWs) bands (ev): -64.2931 -64.2931 -64.2911 -64.2911 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4115 -35.4115 -35.3486 -35.3486 -35.3453 -35.3453 -5.9640 -5.9640 -5.3656 -5.3656 -3.9229 -3.9229 -3.9166 -3.9166 -3.8862 -3.8862 -3.8806 -3.8806 -1.9772 -1.9772 -0.0966 -0.0966 2.0822 2.0822 2.2636 2.2636 2.3343 2.3343 2.4475 2.4475 2.7110 2.7110 2.7688 2.7688 3.5685 3.5685 4.0809 4.0809 4.5140 4.5140 4.5395 4.5395 4.7700 4.7700 4.7910 4.7910 5.1161 5.1161 5.3031 5.3031 5.5294 5.5294 6.3312 6.3312 6.7539 6.7539 6.7912 6.7912 6.8228 6.8228 6.9361 6.9361 7.0368 7.0368 7.0677 7.0677 7.1114 7.1114 8.0400 8.0400 8.0517 8.0517 8.6727 8.6727 8.7858 8.7858 k = 0.5000 0.2400 0.1600 ( 22332 PWs) bands (ev): -64.2928 -64.2928 -64.2910 -64.2910 -36.3602 -36.3602 -36.3590 -36.3590 -35.4117 -35.4117 -35.4114 -35.4114 -35.3485 -35.3485 -35.3453 -35.3453 -5.9649 -5.9649 -5.3665 -5.3665 -3.9191 -3.9191 -3.9114 -3.9114 -3.8887 -3.8887 -3.8819 -3.8819 -1.9795 -1.9795 -0.0963 -0.0963 2.0813 2.0813 2.2708 2.2708 2.3421 2.3421 2.4297 2.4297 2.7056 2.7056 2.7670 2.7670 3.5658 3.5658 4.0820 4.0820 4.5157 4.5157 4.5416 4.5416 4.7748 4.7748 4.7923 4.7923 5.1096 5.1096 5.3029 5.3029 5.5317 5.5317 6.3406 6.3406 6.7823 6.7823 6.7892 6.7892 6.8059 6.8059 6.9361 6.9361 7.0478 7.0478 7.0649 7.0649 7.0972 7.0972 8.0384 8.0384 8.0501 8.0501 8.7256 8.7256 8.7517 8.7517 k = 0.5000-0.4008-0.2672 ( 22340 PWs) bands (ev): -64.2923 -64.2923 -64.2919 -64.2919 -36.3599 -36.3599 -36.3594 -36.3594 -35.4117 -35.4117 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6456 -5.6456 -4.9731 -4.9731 -4.6294 -4.6294 -4.2032 -4.2032 -4.1264 -4.1264 -4.0663 -4.0663 -1.5317 -1.5317 -0.1381 -0.1381 2.1432 2.1432 2.1875 2.1875 2.8722 2.8722 2.9921 2.9921 3.0327 3.0327 3.6252 3.6252 4.0651 4.0651 4.1366 4.1366 4.2720 4.2720 4.2911 4.2911 4.6219 4.6219 4.9108 4.9108 5.1305 5.1305 5.1661 5.1661 5.5493 5.5493 5.6134 5.6134 6.1472 6.1472 6.2473 6.2473 6.7020 6.7020 6.9695 6.9695 7.0069 7.0069 7.1314 7.1314 7.1942 7.1942 7.8993 7.8993 8.3712 8.3712 8.4211 8.4211 8.5569 8.5569 k = 0.5174-0.3858-0.2572 ( 22336 PWs) bands (ev): -64.2923 -64.2923 -64.2917 -64.2917 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6452 -5.6452 -4.9724 -4.9724 -4.6315 -4.6315 -4.2031 -4.2031 -4.1265 -4.1265 -4.0658 -4.0658 -1.5312 -1.5312 -0.1377 -0.1377 2.1400 2.1400 2.1927 2.1927 2.8691 2.8691 2.9864 2.9864 3.0430 3.0430 3.6264 3.6264 4.0640 4.0640 4.1361 4.1361 4.2696 4.2696 4.2935 4.2935 4.6209 4.6209 4.9069 4.9069 5.1282 5.1282 5.1675 5.1675 5.5490 5.5490 5.6133 5.6133 6.1432 6.1432 6.2483 6.2483 6.7034 6.7034 6.9673 6.9673 7.0096 7.0096 7.1308 7.1308 7.1950 7.1950 7.9003 7.9003 8.3550 8.3550 8.4331 8.4331 8.5584 8.5584 k = 0.5347-0.3708-0.2472 ( 22340 PWs) bands (ev): -64.2925 -64.2925 -64.2916 -64.2916 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4116 -35.4116 -35.3475 -35.3475 -35.3464 -35.3464 -5.6438 -5.6438 -4.9703 -4.9703 -4.6377 -4.6377 -4.2029 -4.2029 -4.1268 -4.1268 -4.0644 -4.0644 -1.5296 -1.5296 -0.1364 -0.1364 2.1332 2.1332 2.2054 2.2054 2.8602 2.8602 2.9777 2.9777 3.0649 3.0649 3.6301 3.6301 4.0609 4.0609 4.1344 4.1344 4.2644 4.2644 4.2984 4.2984 4.6176 4.6176 4.8957 4.8957 5.1219 5.1219 5.1710 5.1710 5.5465 5.5465 5.6142 5.6142 6.1312 6.1312 6.2511 6.2511 6.7069 6.7069 6.9625 6.9625 7.0160 7.0160 7.1286 7.1286 7.1971 7.1971 7.9026 7.9026 8.3239 8.3239 8.4502 8.4502 8.5625 8.5625 k = 0.5521-0.3558-0.2372 ( 22344 PWs) bands (ev): -64.2926 -64.2926 -64.2917 -64.2917 -36.3598 -36.3598 -36.3594 -36.3594 -35.4117 -35.4117 -35.4116 -35.4116 -35.3475 -35.3475 -35.3464 -35.3464 -5.6416 -5.6416 -4.9668 -4.9668 -4.6478 -4.6478 -4.2028 -4.2028 -4.1273 -4.1273 -4.0620 -4.0620 -1.5271 -1.5271 -0.1343 -0.1343 2.1258 2.1258 2.2224 2.2224 2.8472 2.8472 2.9718 2.9718 3.0914 3.0914 3.6357 3.6357 4.0556 4.0556 4.1315 4.1315 4.2589 4.2589 4.3039 4.3039 4.6122 4.6122 4.8783 4.8783 5.1126 5.1126 5.1753 5.1753 5.5391 5.5391 5.6183 5.6183 6.1117 6.1117 6.2563 6.2563 6.7128 6.7128 6.9571 6.9571 7.0238 7.0238 7.1255 7.1255 7.2003 7.2003 7.9069 7.9069 8.2887 8.2887 8.4611 8.4611 8.5699 8.5699 k = 0.5695-0.3408-0.2272 ( 22329 PWs) bands (ev): -64.2924 -64.2924 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6385 -5.6385 -4.9620 -4.9620 -4.6614 -4.6614 -4.2028 -4.2028 -4.1279 -4.1279 -4.0590 -4.0590 -1.5236 -1.5236 -0.1314 -0.1314 2.1188 2.1188 2.2422 2.2422 2.8320 2.8320 2.9692 2.9692 3.1202 3.1202 3.6428 3.6428 4.0479 4.0479 4.1274 4.1274 4.2541 4.2541 4.3094 4.3094 4.6049 4.6049 4.8562 4.8562 5.1014 5.1014 5.1796 5.1796 5.5246 5.5246 5.6271 5.6271 6.0859 6.0859 6.2639 6.2639 6.7208 6.7208 6.9519 6.9519 7.0332 7.0332 7.1226 7.1226 7.2048 7.2048 7.9130 7.9130 8.2522 8.2522 8.4657 8.4657 8.5811 8.5811 k = 0.5868-0.3258-0.2172 ( 22326 PWs) bands (ev): -64.2922 -64.2922 -64.2915 -64.2915 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3464 -35.3464 -5.6347 -5.6347 -4.9558 -4.9558 -4.6779 -4.6779 -4.2032 -4.2032 -4.1286 -4.1286 -4.0553 -4.0553 -1.5193 -1.5193 -0.1278 -0.1278 2.1126 2.1126 2.2641 2.2641 2.8164 2.8164 2.9696 2.9696 3.1502 3.1502 3.6506 3.6506 4.0378 4.0378 4.1222 4.1222 4.2506 4.2506 4.3145 4.3145 4.5958 4.5958 4.8307 4.8307 5.0887 5.0887 5.1828 5.1828 5.5031 5.5031 5.6395 5.6395 6.0553 6.0553 6.2736 6.2736 6.7283 6.7283 6.9467 6.9467 7.0417 7.0417 7.1203 7.1203 7.2092 7.2092 7.9204 7.9204 8.2152 8.2152 8.4653 8.4653 8.5928 8.5928 k = 0.6042-0.3108-0.2072 ( 22328 PWs) bands (ev): -64.2923 -64.2923 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6302 -5.6302 -4.9485 -4.9485 -4.6967 -4.6967 -4.2041 -4.2041 -4.1293 -4.1293 -4.0512 -4.0512 -1.5142 -1.5142 -0.1235 -0.1235 2.1072 2.1072 2.2872 2.2872 2.8020 2.8020 2.9729 2.9729 3.1807 3.1807 3.6580 3.6580 4.0249 4.0249 4.1161 4.1161 4.2485 4.2485 4.3195 4.3195 4.5853 4.5853 4.8034 4.8034 5.0748 5.0748 5.1845 5.1845 5.4757 5.4757 5.6543 5.6543 6.0217 6.0217 6.2852 6.2852 6.7354 6.7354 6.9419 6.9419 7.0486 7.0486 7.1185 7.1185 7.2139 7.2139 7.9282 7.9282 8.1783 8.1783 8.4636 8.4636 8.6038 8.6038 k = 0.6216-0.2958-0.1972 ( 22329 PWs) bands (ev): -64.2924 -64.2924 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6251 -5.6251 -4.9402 -4.9402 -4.7171 -4.7171 -4.2056 -4.2056 -4.1302 -4.1302 -4.0469 -4.0469 -1.5086 -1.5086 -0.1186 -0.1186 2.1025 2.1025 2.3108 2.3108 2.7897 2.7897 2.9790 2.9790 3.2112 3.2112 3.6638 3.6638 4.0099 4.0099 4.1092 4.1092 4.2480 4.2480 4.3246 4.3246 4.5733 4.5733 4.7755 4.7755 5.0600 5.0600 5.1841 5.1841 5.4439 5.4439 5.6701 5.6701 5.9866 5.9866 6.2979 6.2979 6.7420 6.7420 6.9377 6.9377 7.0533 7.0533 7.1182 7.1182 7.2187 7.2187 7.9369 7.9369 8.1423 8.1423 8.4623 8.4623 8.6126 8.6126 k = 0.6389-0.2808-0.1872 ( 22313 PWs) bands (ev): -64.2920 -64.2920 -64.2912 -64.2912 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3475 -35.3475 -35.3464 -35.3464 -5.6197 -5.6197 -4.9311 -4.9311 -4.7384 -4.7384 -4.2076 -4.2076 -4.1313 -4.1313 -4.0423 -4.0423 -1.5026 -1.5026 -0.1133 -0.1133 2.0983 2.0983 2.3337 2.3337 2.7808 2.7808 2.9882 2.9882 3.2412 3.2412 3.6668 3.6668 3.9932 3.9932 4.1020 4.1020 4.2487 4.2487 4.3303 4.3303 4.5604 4.5604 4.7484 4.7484 5.0442 5.0442 5.1807 5.1807 5.4099 5.4099 5.6862 5.6862 5.9516 5.9516 6.3114 6.3114 6.7482 6.7482 6.9346 6.9346 7.0558 7.0558 7.1207 7.1207 7.2243 7.2243 7.9455 7.9455 8.1083 8.1083 8.4637 8.4637 8.6200 8.6200 k = 0.6563-0.2658-0.1772 ( 22311 PWs) bands (ev): -64.2920 -64.2920 -64.2912 -64.2912 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4114 -35.4114 -35.3475 -35.3475 -35.3464 -35.3464 -5.6140 -5.6140 -4.9218 -4.9218 -4.7596 -4.7596 -4.2101 -4.2101 -4.1326 -4.1326 -4.0378 -4.0378 -1.4963 -1.4963 -0.1075 -0.1075 2.0947 2.0947 2.3547 2.3547 2.7760 2.7760 3.0007 3.0007 3.2703 3.2703 3.6654 3.6654 3.9759 3.9759 4.0945 4.0945 4.2497 4.2497 4.3370 4.3370 4.5463 4.5463 4.7233 4.7233 5.0270 5.0270 5.1729 5.1729 5.3765 5.3765 5.7014 5.7014 5.9174 5.9174 6.3253 6.3253 6.7534 6.7534 6.9313 6.9313 7.0555 7.0555 7.1236 7.1236 7.2292 7.2292 7.9528 7.9528 8.0775 8.0775 8.4673 8.4673 8.6258 8.6258 k = 0.6737-0.2508-0.1672 ( 22323 PWs) bands (ev): -64.2922 -64.2922 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3464 -35.3464 -5.6083 -5.6083 -4.9131 -4.9131 -4.7793 -4.7793 -4.2130 -4.2130 -4.1343 -4.1343 -4.0333 -4.0333 -1.4900 -1.4900 -0.1014 -0.1014 2.0914 2.0914 2.3725 2.3725 2.7761 2.7761 3.0169 3.0169 3.2980 3.2980 3.6581 3.6581 3.9593 3.9593 4.0869 4.0869 4.2503 4.2503 4.3451 4.3451 4.5312 4.5312 4.7012 4.7012 5.0078 5.0078 5.1589 5.1589 5.3474 5.3474 5.7146 5.7146 5.8855 5.8855 6.3391 6.3391 6.7571 6.7571 6.9282 6.9282 7.0530 7.0530 7.1265 7.1265 7.2336 7.2336 7.9557 7.9557 8.0529 8.0529 8.4731 8.4731 8.6309 8.6309 k = 0.6910-0.2358-0.1572 ( 22327 PWs) bands (ev): -64.2923 -64.2923 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.6029 -5.6029 -4.9067 -4.9067 -4.7953 -4.7953 -4.2164 -4.2164 -4.1363 -4.1363 -4.0290 -4.0290 -1.4838 -1.4838 -0.0952 -0.0952 2.0886 2.0886 2.3860 2.3860 2.7811 2.7811 3.0374 3.0374 3.3238 3.3238 3.6443 3.6443 3.9445 3.9445 4.0796 4.0796 4.2496 4.2496 4.3545 4.3545 4.5153 4.5153 4.6837 4.6837 4.9857 4.9857 5.1382 5.1382 5.3263 5.3263 5.7241 5.7241 5.8576 5.8576 6.3532 6.3532 6.7603 6.7603 6.9258 6.9258 7.0500 7.0500 7.1295 7.1295 7.2385 7.2385 7.9499 7.9499 8.0394 8.0394 8.4803 8.4803 8.6377 8.6377 k = 0.7084-0.2208-0.1472 ( 22327 PWs) bands (ev): -64.2923 -64.2923 -64.2914 -64.2914 -36.3598 -36.3598 -36.3594 -36.3594 -35.4116 -35.4116 -35.4115 -35.4115 -35.3475 -35.3475 -35.3464 -35.3464 -5.5979 -5.5979 -4.9051 -4.9051 -4.8047 -4.8047 -4.2200 -4.2200 -4.1387 -4.1387 -4.0248 -4.0248 -1.4780 -1.4780 -0.0890 -0.0890 2.0860 2.0860 2.3946 2.3946 2.7907 2.7907 3.0625 3.0625 3.3472 3.3472 3.6238 3.6238 3.9322 3.9322 4.0726 4.0726 4.2473 4.2473 4.3644 4.3644 4.4989 4.4989 4.6719 4.6719 4.9593 4.9593 5.1129 5.1129 5.3140 5.3140 5.7267 5.7267 5.8371 5.8371 6.3668 6.3668 6.7633 6.7633 6.9238 6.9238 7.0463 7.0463 7.1315 7.1315 7.2429 7.2429 7.9351 7.9351 8.0387 8.0387 8.4880 8.4880 8.6469 8.6469 k = 0.7258-0.2058-0.1372 ( 22321 PWs) bands (ev): -64.2921 -64.2921 -64.2914 -64.2914 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3463 -35.3463 -5.5938 -5.5938 -4.9101 -4.9101 -4.8052 -4.8052 -4.2239 -4.2239 -4.1414 -4.1414 -4.0209 -4.0209 -1.4726 -1.4726 -0.0829 -0.0829 2.0837 2.0837 2.3980 2.3980 2.8037 2.8037 3.0927 3.0927 3.3671 3.3671 3.5980 3.5980 3.9224 3.9224 4.0664 4.0664 4.2434 4.2434 4.3725 4.3725 4.4831 4.4831 4.6671 4.6671 4.9280 4.9280 5.0872 5.0872 5.3092 5.3092 5.7184 5.7184 5.8274 5.8274 6.3804 6.3804 6.7660 6.7660 6.9217 6.9217 7.0428 7.0428 7.1325 7.1325 7.2477 7.2477 7.9158 7.9158 8.0462 8.0462 8.4951 8.4951 8.6586 8.6586 k = 0.7431-0.1908-0.1272 ( 22308 PWs) bands (ev): -64.2920 -64.2920 -64.2911 -64.2911 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3463 -35.3463 -5.5909 -5.5909 -4.9205 -4.9205 -4.7975 -4.7975 -4.2280 -4.2280 -4.1443 -4.1443 -4.0172 -4.0172 -1.4680 -1.4680 -0.0770 -0.0770 2.0817 2.0817 2.3969 2.3969 2.8183 2.8183 3.1280 3.1280 3.3818 3.3818 3.5699 3.5699 3.9145 3.9145 4.0610 4.0610 4.2381 4.2381 4.3752 4.3752 4.4699 4.4699 4.6698 4.6698 4.8923 4.8923 5.0646 5.0646 5.3097 5.3097 5.7001 5.7001 5.8282 5.8282 6.3945 6.3945 6.7683 6.7683 6.9199 6.9199 7.0395 7.0395 7.1324 7.1324 7.2523 7.2523 7.8965 7.8965 8.0571 8.0571 8.5012 8.5012 8.6723 8.6723 k = 0.7605-0.1758-0.1172 ( 22301 PWs) bands (ev): -64.2919 -64.2919 -64.2910 -64.2910 -36.3598 -36.3598 -36.3593 -36.3593 -35.4116 -35.4116 -35.4114 -35.4114 -35.3475 -35.3475 -35.3463 -35.3463 -5.5895 -5.5895 -4.9331 -4.9331 -4.7844 -4.7844 -4.2323 -4.2323 -4.1475 -4.1475 -4.0138 -4.0138 -1.4642 -1.4642 -0.0714 -0.0714 2.0798 2.0798 2.3919 2.3919 2.8328 2.8328 3.1677 3.1677 3.3879 3.3879 3.5450 3.5450 3.9077 3.9077 4.0566 4.0566 4.2319 4.2319 4.3697 4.3697 4.4612 4.4612 4.6795 4.6795 4.8552 4.8552 5.0465 5.0465 5.3137 5.3137 5.6759 5.6759 5.8348 5.8348 6.4076 6.4076 6.7702 6.7702 6.9184 6.9184 7.0360 7.0360 7.1314 7.1314 7.2561 7.2561 7.8796 7.8796 8.0697 8.0697 8.5053 8.5053 8.6857 8.6857 k = 0.7779-0.1608-0.1072 ( 22295 PWs) bands (ev): -64.2918 -64.2918 -64.2909 -64.2909 -36.3598 -36.3598 -36.3593 -36.3593 -35.4115 -35.4115 -35.4113 -35.4113 -35.3475 -35.3475 -35.3462 -35.3462 -5.5901 -5.5901 -4.9455 -4.9455 -4.7680 -4.7680 -4.2367 -4.2367 -4.1507 -4.1507 -4.0106 -4.0106 -1.4615 -1.4615 -0.0664 -0.0664 2.0780 2.0780 2.3838 2.3838 2.8455 2.8455 3.2097 3.2097 3.3812 3.3812 3.5306 3.5306 3.9011 3.9011 4.0534 4.0534 4.2253 4.2253 4.3562 4.3562 4.4564 4.4564 4.6927 4.6927 4.8226 4.8226 5.0327 5.0327 5.3198 5.3198 5.6497 5.6497 5.8441 5.8441 6.4209 6.4209 6.7722 6.7722 6.9168 6.9168 7.0322 7.0322 7.1290 7.1290 7.2603 7.2603 7.8658 7.8658 8.0824 8.0824 8.5079 8.5079 8.6963 8.6963 Writing output data file CrGeTe3.save init_run : 0.41s CPU 0.58s WALL ( 1 calls) electrons : 809.48s CPU 815.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.05s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 809.47s CPU 815.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.20s WALL ( 203 calls) cegterg : 747.33s CPU 752.16s WALL ( 417 calls) Called by sum_band: Called by *egterg: h_psi : 560.93s CPU 565.54s WALL ( 7406 calls) s_psi : 20.82s CPU 20.65s WALL ( 7406 calls) g_psi : 0.78s CPU 0.80s WALL ( 6786 calls) cdiaghg : 136.84s CPU 137.39s WALL ( 6989 calls) cegterg:over : 30.17s CPU 30.13s WALL ( 6786 calls) cegterg:upda : 25.03s CPU 25.12s WALL ( 6786 calls) cegterg:last : 15.36s CPU 15.34s WALL ( 1026 calls) cdiaghg:chol : 5.46s CPU 5.82s WALL ( 6989 calls) cdiaghg:inve : 4.09s CPU 4.05s WALL ( 6989 calls) cdiaghg:para : 8.70s CPU 8.51s WALL ( 13978 calls) Called by h_psi: h_psi:vloc : 508.93s CPU 513.49s WALL ( 7406 calls) h_psi:vnl : 51.04s CPU 51.14s WALL ( 7406 calls) add_vuspsi : 26.21s CPU 26.31s WALL ( 7406 calls) General routines calbec : 24.77s CPU 24.80s WALL ( 7406 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 487.93s CPU 492.36s WALL ( 1001928 calls) davcio : 0.26s CPU 0.65s WALL ( 406 calls) Parallel routines fft_scatter : 202.36s CPU 203.16s WALL ( 1001943 calls) PWSCF : 14m36.79s CPU 15m 3.49s WALL This run was terminated on: 12:39:33 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=