Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:26: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScTlTe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 108 55 15 3150 1131 176 Max 110 56 16 3151 1148 179 Sum 3925 1991 573 113401 40971 6427 bravais-lattice index = 14 lattice parameter (alat) = 15.8608 a.u. unit-cell volume = 833.2344 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.860787 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.874026 celldm(5)= 0.874026 celldm(6)= 0.874026 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.874026 0.485879 0.000000 ) a(3) = ( 0.874026 0.226609 0.429799 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.798856 -1.085135 ) b(2) = ( 0.000000 2.058126 -1.085135 ) b(3) = ( 0.000000 0.000000 2.326672 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Tl 13.00 204.38330 Tl( 1.00) Te 6.00 127.60000 Te( 1.00) Sc 11.00 44.95590 Sc( 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0113636 -0.0204415 -0.0123311), wk = 0.0034843 k( 3) = ( 0.0227273 -0.0408831 -0.0246622), wk = 0.0034843 k( 4) = ( 0.0340909 -0.0613246 -0.0369932), wk = 0.0034843 k( 5) = ( 0.0454546 -0.0817662 -0.0493243), wk = 0.0034843 k( 6) = ( 0.0568182 -0.1022077 -0.0616554), wk = 0.0034843 k( 7) = ( 0.0681818 -0.1226493 -0.0739865), wk = 0.0034843 k( 8) = ( 0.0795455 -0.1430908 -0.0863176), wk = 0.0034843 k( 9) = ( 0.0909091 -0.1635323 -0.0986487), wk = 0.0034843 k( 10) = ( 0.1022727 -0.1839739 -0.1109797), wk = 0.0034843 k( 11) = ( 0.1136364 -0.2044154 -0.1233108), wk = 0.0034843 k( 12) = ( 0.1250000 -0.2248570 -0.1356419), wk = 0.0034843 k( 13) = ( 0.1363636 -0.2452985 -0.1479730), wk = 0.0034843 k( 14) = ( 0.1477273 -0.2657401 -0.1603041), wk = 0.0034843 k( 15) = ( 0.1590909 -0.2861816 -0.1726351), wk = 0.0034843 k( 16) = ( 0.1704546 -0.3066231 -0.1849662), wk = 0.0034843 k( 17) = ( 0.1818182 -0.3270647 -0.1972973), wk = 0.0034843 k( 18) = ( 0.1931818 -0.3475062 -0.2096284), wk = 0.0034843 k( 19) = ( 0.2045454 -0.3679478 -0.2219595), wk = 0.0034843 k( 20) = ( 0.2159091 -0.3883893 -0.2342906), wk = 0.0034843 k( 21) = ( 0.2272727 -0.4088309 -0.2466216), wk = 0.0034843 k( 22) = ( 0.2386364 -0.4292724 -0.2589527), wk = 0.0034843 k( 23) = ( 0.2500000 -0.4497139 -0.2712838), wk = 0.0034843 k( 24) = ( 0.2613636 -0.4701555 -0.2836149), wk = 0.0034843 k( 25) = ( 0.2727273 -0.4905970 -0.2959460), wk = 0.0034843 k( 26) = ( 0.2840909 -0.5110386 -0.3082770), wk = 0.0034843 k( 27) = ( 0.2954545 -0.5314801 -0.3206081), wk = 0.0034843 k( 28) = ( 0.3068182 -0.5519217 -0.3329392), wk = 0.0034843 k( 29) = ( 0.3181818 -0.5723632 -0.3452703), wk = 0.0034843 k( 30) = ( 0.3295455 -0.5928047 -0.3576014), wk = 0.0034843 k( 31) = ( 0.3409091 -0.6132463 -0.3699325), wk = 0.0034843 k( 32) = ( 0.3522727 -0.6336878 -0.3822635), wk = 0.0034843 k( 33) = ( 0.3636364 -0.6541294 -0.3945946), wk = 0.0034843 k( 34) = ( 0.3750000 -0.6745709 -0.4069257), wk = 0.0034843 k( 35) = ( 0.3863636 -0.6950125 -0.4192568), wk = 0.0034843 k( 36) = ( 0.3977273 -0.7154540 -0.4315879), wk = 0.0034843 k( 37) = ( 0.4090909 -0.7358955 -0.4439189), wk = 0.0034843 k( 38) = ( 0.4204545 -0.7563371 -0.4562500), wk = 0.0034843 k( 39) = ( 0.4318182 -0.7767786 -0.4685811), wk = 0.0034843 k( 40) = ( 0.4431818 -0.7972202 -0.4809122), wk = 0.0034843 k( 41) = ( 0.4545455 -0.8176617 -0.4932433), wk = 0.0034843 k( 42) = ( 0.4659091 -0.8381033 -0.5055744), wk = 0.0034843 k( 43) = ( 0.4772727 -0.8585448 -0.5179054), wk = 0.0034843 k( 44) = ( 0.4886364 -0.8789863 -0.5302365), wk = 0.0034843 k( 45) = ( 0.5000000 -0.8994279 -0.5425676), wk = 0.0034843 k( 46) = ( 0.5000000 -0.8994279 -0.5425676), wk = 0.0034843 k( 47) = ( 0.5000000 -0.8860540 -0.5647379), wk = 0.0034843 k( 48) = ( 0.5000000 -0.8726800 -0.5869082), wk = 0.0034843 k( 49) = ( 0.5000000 -0.8593061 -0.6090785), wk = 0.0034843 k( 50) = ( 0.5000000 -0.8459322 -0.6312488), wk = 0.0034843 k( 51) = ( 0.5000000 -0.8325583 -0.6534190), wk = 0.0034843 k( 52) = ( 0.5000000 -0.8191843 -0.6755893), wk = 0.0034843 k( 53) = ( 0.5000000 -0.8058104 -0.6977596), wk = 0.0034843 k( 54) = ( 0.5000000 -0.7924365 -0.7199299), wk = 0.0034843 k( 55) = ( 0.5000000 -0.7790625 -0.7421002), wk = 0.0034843 k( 56) = ( 0.5000000 -0.7656886 -0.7642705), wk = 0.0034843 k( 57) = ( 0.5000000 -0.7523147 -0.7864408), wk = 0.0034843 k( 58) = ( 0.5000000 -0.7389408 -0.8086111), wk = 0.0034843 k( 59) = ( 0.5000000 -0.7255668 -0.8307814), wk = 0.0034843 k( 60) = ( 0.5000000 -0.7121929 -0.8529517), wk = 0.0034843 k( 61) = ( 0.5000000 -0.6988190 -0.8751220), wk = 0.0034843 k( 62) = ( 0.5000000 -0.6854451 -0.8972923), wk = 0.0034843 k( 63) = ( 0.5000000 -0.6720711 -0.9194626), wk = 0.0034843 k( 64) = ( 0.5000000 -0.6586972 -0.9416328), wk = 0.0034843 k( 65) = ( 0.5000000 -0.6453233 -0.9638031), wk = 0.0034843 k( 66) = ( 0.5000000 -0.6319494 -0.9859734), wk = 0.0034843 k( 67) = ( 0.5000000 -0.6185754 -1.0081437), wk = 0.0034843 k( 68) = ( 0.5000000 -0.6052015 -1.0303140), wk = 0.0034843 k( 69) = ( 0.5000000 -0.5918276 -1.0524843), wk = 0.0034843 k( 70) = ( 0.5000000 -0.5784537 -1.0746546), wk = 0.0034843 k( 71) = ( 0.5000000 -0.5650797 -1.0968249), wk = 0.0034843 k( 72) = ( 0.5000000 -0.5517058 -1.1189952), wk = 0.0034843 k( 73) = ( 0.5000000 -0.5383319 -1.1411655), wk = 0.0034843 k( 74) = ( 0.5000000 -0.5249580 -1.1633358), wk = 0.0034843 k( 75) = ( 0.8180530 -0.4424963 -1.0069346), wk = 0.0034843 k( 76) = ( 0.8114269 -0.4305769 -0.9843276), wk = 0.0034843 k( 77) = ( 0.8048007 -0.4186575 -0.9617206), wk = 0.0034843 k( 78) = ( 0.7981746 -0.4067381 -0.9391137), wk = 0.0034843 k( 79) = ( 0.7915485 -0.3948187 -0.9165067), wk = 0.0034843 k( 80) = ( 0.7849224 -0.3828993 -0.8938997), wk = 0.0034843 k( 81) = ( 0.7782963 -0.3709799 -0.8712927), wk = 0.0034843 k( 82) = ( 0.7716702 -0.3590605 -0.8486857), wk = 0.0034843 k( 83) = ( 0.7650441 -0.3471411 -0.8260787), wk = 0.0034843 k( 84) = ( 0.7584180 -0.3352217 -0.8034718), wk = 0.0034843 k( 85) = ( 0.7517919 -0.3233023 -0.7808648), wk = 0.0034843 k( 86) = ( 0.7451658 -0.3113829 -0.7582578), wk = 0.0034843 k( 87) = ( 0.7385397 -0.2994635 -0.7356508), wk = 0.0034843 k( 88) = ( 0.7319136 -0.2875441 -0.7130438), wk = 0.0034843 k( 89) = ( 0.7252875 -0.2756247 -0.6904369), wk = 0.0034843 k( 90) = ( 0.7186614 -0.2637053 -0.6678299), wk = 0.0034843 k( 91) = ( 0.7120353 -0.2517859 -0.6452229), wk = 0.0034843 k( 92) = ( 0.7054092 -0.2398665 -0.6226159), wk = 0.0034843 k( 93) = ( 0.6987831 -0.2279471 -0.6000089), wk = 0.0034843 k( 94) = ( 0.6921570 -0.2160277 -0.5774019), wk = 0.0034843 k( 95) = ( 0.6855309 -0.2041083 -0.5547950), wk = 0.0034843 k( 96) = ( 0.6789048 -0.1921888 -0.5321880), wk = 0.0034843 k( 97) = ( 0.6722787 -0.1802694 -0.5095810), wk = 0.0034843 k( 98) = ( 0.6656526 -0.1683500 -0.4869740), wk = 0.0034843 k( 99) = ( 0.6590265 -0.1564306 -0.4643670), wk = 0.0034843 k( 100) = ( 0.6524004 -0.1445112 -0.4417600), wk = 0.0034843 k( 101) = ( 0.6457743 -0.1325918 -0.4191531), wk = 0.0034843 k( 102) = ( 0.6391482 -0.1206724 -0.3965461), wk = 0.0034843 k( 103) = ( 0.6325221 -0.1087530 -0.3739391), wk = 0.0034843 k( 104) = ( 0.6258960 -0.0968336 -0.3513321), wk = 0.0034843 k( 105) = ( 0.6192699 -0.0849142 -0.3287251), wk = 0.0034843 k( 106) = ( 0.6126438 -0.0729948 -0.3061181), wk = 0.0034843 k( 107) = ( 0.6060176 -0.0610754 -0.2835112), wk = 0.0034843 k( 108) = ( 0.5993915 -0.0491560 -0.2609042), wk = 0.0034843 k( 109) = ( 0.5927654 -0.0372366 -0.2382972), wk = 0.0034843 k( 110) = ( 0.5861393 -0.0253172 -0.2156902), wk = 0.0034843 k( 111) = ( 0.5795132 -0.0133978 -0.1930832), wk = 0.0034843 k( 112) = ( 0.5728871 -0.0014784 -0.1704762), wk = 0.0034843 k( 113) = ( 0.5662610 0.0104410 -0.1478693), wk = 0.0034843 k( 114) = ( 0.5596349 0.0223604 -0.1252623), wk = 0.0034843 k( 115) = ( 0.5530088 0.0342798 -0.1026553), wk = 0.0034843 k( 116) = ( 0.5463827 0.0461992 -0.0800483), wk = 0.0034843 k( 117) = ( 0.5397566 0.0581186 -0.0574413), wk = 0.0034843 k( 118) = ( 0.5331305 0.0700380 -0.0348344), wk = 0.0034843 k( 119) = ( 0.5265044 0.0819574 -0.0122274), wk = 0.0034843 k( 120) = ( 0.5198783 0.0938768 0.0103796), wk = 0.0034843 k( 121) = ( 0.5132522 0.1057962 0.0329866), wk = 0.0034843 k( 122) = ( 0.5066261 0.1177157 0.0555936), wk = 0.0034843 k( 123) = ( 0.5000000 0.1296350 0.0782006), wk = 0.0034843 k( 124) = ( 0.5000000 0.1296350 0.0782006), wk = 0.0034843 k( 125) = ( 0.4750000 0.1231533 0.0742905), wk = 0.0034843 k( 126) = ( 0.4500000 0.1166715 0.0703805), wk = 0.0034843 k( 127) = ( 0.4250000 0.1101898 0.0664705), wk = 0.0034843 k( 128) = ( 0.4000000 0.1037080 0.0625605), wk = 0.0034843 k( 129) = ( 0.3750000 0.0972263 0.0586504), wk = 0.0034843 k( 130) = ( 0.3500000 0.0907445 0.0547404), wk = 0.0034843 k( 131) = ( 0.3250000 0.0842628 0.0508304), wk = 0.0034843 k( 132) = ( 0.3000000 0.0777810 0.0469203), wk = 0.0034843 k( 133) = ( 0.2750000 0.0712993 0.0430103), wk = 0.0034843 k( 134) = ( 0.2500000 0.0648175 0.0391003), wk = 0.0034843 k( 135) = ( 0.2250000 0.0583358 0.0351903), wk = 0.0034843 k( 136) = ( 0.2000000 0.0518540 0.0312802), wk = 0.0034843 k( 137) = ( 0.1750000 0.0453723 0.0273702), wk = 0.0034843 k( 138) = ( 0.1500000 0.0388905 0.0234602), wk = 0.0034843 k( 139) = ( 0.1250000 0.0324088 0.0195501), wk = 0.0034843 k( 140) = ( 0.1000000 0.0259270 0.0156401), wk = 0.0034843 k( 141) = ( 0.0750000 0.0194453 0.0117301), wk = 0.0034843 k( 142) = ( 0.0500000 0.0129635 0.0078201), wk = 0.0034843 k( 143) = ( 0.0250000 0.0064818 0.0039100), wk = 0.0034843 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0066858 -0.0120267 -0.0228105), wk = 0.0034843 k( 147) = ( 0.0133715 -0.0240534 -0.0456210), wk = 0.0034843 k( 148) = ( 0.0200573 -0.0360801 -0.0684315), wk = 0.0034843 k( 149) = ( 0.0267430 -0.0481068 -0.0912420), wk = 0.0034843 k( 150) = ( 0.0334288 -0.0601336 -0.1140525), wk = 0.0034843 k( 151) = ( 0.0401145 -0.0721603 -0.1368630), wk = 0.0034843 k( 152) = ( 0.0468003 -0.0841870 -0.1596735), wk = 0.0034843 k( 153) = ( 0.0534860 -0.0962137 -0.1824840), wk = 0.0034843 k( 154) = ( 0.0601718 -0.1082404 -0.2052946), wk = 0.0034843 k( 155) = ( 0.0668576 -0.1202671 -0.2281050), wk = 0.0034843 k( 156) = ( 0.0735433 -0.1322938 -0.2509156), wk = 0.0034843 k( 157) = ( 0.0802291 -0.1443205 -0.2737260), wk = 0.0034843 k( 158) = ( 0.0869148 -0.1563472 -0.2965366), wk = 0.0034843 k( 159) = ( 0.0936006 -0.1683739 -0.3193471), wk = 0.0034843 k( 160) = ( 0.1002863 -0.1804006 -0.3421576), wk = 0.0034843 k( 161) = ( 0.1069721 -0.1924274 -0.3649681), wk = 0.0034843 k( 162) = ( 0.1136578 -0.2044541 -0.3877786), wk = 0.0034843 k( 163) = ( 0.1203436 -0.2164808 -0.4105891), wk = 0.0034843 k( 164) = ( 0.1270294 -0.2285075 -0.4333996), wk = 0.0034843 k( 165) = ( 0.1337151 -0.2405342 -0.4562101), wk = 0.0034843 k( 166) = ( 0.1404009 -0.2525609 -0.4790206), wk = 0.0034843 k( 167) = ( 0.1470866 -0.2645876 -0.5018311), wk = 0.0034843 k( 168) = ( 0.1537724 -0.2766143 -0.5246416), wk = 0.0034843 k( 169) = ( 0.1604581 -0.2886410 -0.5474521), wk = 0.0034843 k( 170) = ( 0.1671439 -0.3006677 -0.5702626), wk = 0.0034843 k( 171) = ( 0.1738296 -0.3126944 -0.5930731), wk = 0.0034843 k( 172) = ( 0.1805154 -0.3247212 -0.6158837), wk = 0.0034843 k( 173) = ( 0.1872012 -0.3367479 -0.6386941), wk = 0.0034843 k( 174) = ( 0.1938869 -0.3487746 -0.6615047), wk = 0.0034843 k( 175) = ( 0.2005727 -0.3608013 -0.6843152), wk = 0.0034843 k( 176) = ( 0.2072584 -0.3728280 -0.7071257), wk = 0.0034843 k( 177) = ( 0.2139442 -0.3848547 -0.7299362), wk = 0.0034843 k( 178) = ( 0.2206299 -0.3968814 -0.7527467), wk = 0.0034843 k( 179) = ( 0.2273157 -0.4089081 -0.7755572), wk = 0.0034843 k( 180) = ( 0.2340014 -0.4209348 -0.7983677), wk = 0.0034843 k( 181) = ( 0.2406872 -0.4329615 -0.8211782), wk = 0.0034843 k( 182) = ( 0.2473730 -0.4449883 -0.8439887), wk = 0.0034843 k( 183) = ( 0.2540587 -0.4570150 -0.8667992), wk = 0.0034843 k( 184) = ( 0.2607445 -0.4690417 -0.8896097), wk = 0.0034843 k( 185) = ( 0.2674302 -0.4810684 -0.9124202), wk = 0.0034843 k( 186) = ( 0.2741160 -0.4930951 -0.9352307), wk = 0.0034843 k( 187) = ( 0.2808017 -0.5051218 -0.9580412), wk = 0.0034843 k( 188) = ( 0.2874875 -0.5171485 -0.9808517), wk = 0.0034843 k( 189) = ( 0.2941732 -0.5291752 -1.0036622), wk = 0.0034843 k( 190) = ( 0.3008590 -0.5412019 -1.0264727), wk = 0.0034843 k( 191) = ( 0.3075447 -0.5532286 -1.0492832), wk = 0.0034843 k( 192) = ( 0.3142305 -0.5652553 -1.0720937), wk = 0.0034843 k( 193) = ( 0.3209163 -0.5772821 -1.0949043), wk = 0.0034843 k( 194) = ( 0.3276020 -0.5893088 -1.1177147), wk = 0.0034843 k( 195) = ( 0.3342878 -0.6013355 -1.1405253), wk = 0.0034843 k( 196) = ( 0.3409735 -0.6133622 -1.1633358), wk = 0.0034843 k( 197) = ( 0.6590265 -0.4837271 -1.0851352), wk = 0.0034843 k( 198) = ( 0.6524004 -0.4581704 -1.0851352), wk = 0.0034843 k( 199) = ( 0.6457743 -0.4326136 -1.0851352), wk = 0.0034843 k( 200) = ( 0.6391482 -0.4070569 -1.0851352), wk = 0.0034843 k( 201) = ( 0.6325221 -0.3815001 -1.0851352), wk = 0.0034843 k( 202) = ( 0.6258960 -0.3559434 -1.0851352), wk = 0.0034843 k( 203) = ( 0.6192699 -0.3303866 -1.0851352), wk = 0.0034843 k( 204) = ( 0.6126438 -0.3048298 -1.0851352), wk = 0.0034843 k( 205) = ( 0.6060176 -0.2792731 -1.0851352), wk = 0.0034843 k( 206) = ( 0.5993915 -0.2537163 -1.0851352), wk = 0.0034843 k( 207) = ( 0.5927654 -0.2281595 -1.0851352), wk = 0.0034843 k( 208) = ( 0.5861393 -0.2026028 -1.0851352), wk = 0.0034843 k( 209) = ( 0.5795132 -0.1770461 -1.0851352), wk = 0.0034843 k( 210) = ( 0.5728871 -0.1514893 -1.0851352), wk = 0.0034843 k( 211) = ( 0.5662610 -0.1259325 -1.0851352), wk = 0.0034843 k( 212) = ( 0.5596349 -0.1003758 -1.0851352), wk = 0.0034843 k( 213) = ( 0.5530088 -0.0748190 -1.0851352), wk = 0.0034843 k( 214) = ( 0.5463827 -0.0492622 -1.0851352), wk = 0.0034843 k( 215) = ( 0.5397566 -0.0237055 -1.0851352), wk = 0.0034843 k( 216) = ( 0.5331305 0.0018512 -1.0851352), wk = 0.0034843 k( 217) = ( 0.5265044 0.0274080 -1.0851352), wk = 0.0034843 k( 218) = ( 0.5198783 0.0529648 -1.0851352), wk = 0.0034843 k( 219) = ( 0.5132522 0.0785215 -1.0851352), wk = 0.0034843 k( 220) = ( 0.5066261 0.1040783 -1.0851352), wk = 0.0034843 k( 221) = ( 0.5000000 0.1296350 -1.0851352), wk = 0.0034843 k( 222) = ( 0.5000000 0.1296350 -1.0851352), wk = 0.0034843 k( 223) = ( 0.5227181 0.1355252 -1.0739637), wk = 0.0034843 k( 224) = ( 0.5454361 0.1414153 -1.0627922), wk = 0.0034843 k( 225) = ( 0.5681542 0.1473054 -1.0516206), wk = 0.0034843 k( 226) = ( 0.5908723 0.1531955 -1.0404492), wk = 0.0034843 k( 227) = ( 0.6135903 0.1590856 -1.0292776), wk = 0.0034843 k( 228) = ( 0.6363084 0.1649757 -1.0181061), wk = 0.0034843 k( 229) = ( 0.6590265 0.1708659 -1.0069346), wk = 0.0034843 k( 230) = ( 0.6590265 0.1708659 -1.0069346), wk = 0.0034843 k( 231) = ( 0.6552401 0.1698842 -0.9810981), wk = 0.0034843 k( 232) = ( 0.6514538 0.1689025 -0.9552615), wk = 0.0034843 k( 233) = ( 0.6476674 0.1679208 -0.9294250), wk = 0.0034843 k( 234) = ( 0.6438811 0.1669391 -0.9035884), wk = 0.0034843 k( 235) = ( 0.6400948 0.1659574 -0.8777518), wk = 0.0034843 k( 236) = ( 0.6363084 0.1649757 -0.8519153), wk = 0.0034843 k( 237) = ( 0.6325221 0.1639941 -0.8260787), wk = 0.0034843 k( 238) = ( 0.6287357 0.1630124 -0.8002422), wk = 0.0034843 k( 239) = ( 0.6249494 0.1620307 -0.7744057), wk = 0.0034843 k( 240) = ( 0.6211630 0.1610490 -0.7485691), wk = 0.0034843 k( 241) = ( 0.6173767 0.1600673 -0.7227325), wk = 0.0034843 k( 242) = ( 0.6135903 0.1590856 -0.6968960), wk = 0.0034843 k( 243) = ( 0.6098040 0.1581039 -0.6710594), wk = 0.0034843 k( 244) = ( 0.6060176 0.1571223 -0.6452229), wk = 0.0034843 k( 245) = ( 0.6022313 0.1561406 -0.6193863), wk = 0.0034843 k( 246) = ( 0.5984450 0.1551589 -0.5935498), wk = 0.0034843 k( 247) = ( 0.5946586 0.1541772 -0.5677132), wk = 0.0034843 k( 248) = ( 0.5908723 0.1531955 -0.5418767), wk = 0.0034843 k( 249) = ( 0.5870859 0.1522138 -0.5160401), wk = 0.0034843 k( 250) = ( 0.5832996 0.1512321 -0.4902036), wk = 0.0034843 k( 251) = ( 0.5795132 0.1502505 -0.4643670), wk = 0.0034843 k( 252) = ( 0.5757269 0.1492688 -0.4385305), wk = 0.0034843 k( 253) = ( 0.5719405 0.1482871 -0.4126939), wk = 0.0034843 k( 254) = ( 0.5681542 0.1473054 -0.3868574), wk = 0.0034843 k( 255) = ( 0.5643679 0.1463237 -0.3610208), wk = 0.0034843 k( 256) = ( 0.5605815 0.1453420 -0.3351843), wk = 0.0034843 k( 257) = ( 0.5567952 0.1443603 -0.3093477), wk = 0.0034843 k( 258) = ( 0.5530088 0.1433787 -0.2835111), wk = 0.0034843 k( 259) = ( 0.5492225 0.1423970 -0.2576746), wk = 0.0034843 k( 260) = ( 0.5454361 0.1414153 -0.2318381), wk = 0.0034843 k( 261) = ( 0.5416498 0.1404336 -0.2060015), wk = 0.0034843 k( 262) = ( 0.5378635 0.1394519 -0.1801649), wk = 0.0034843 k( 263) = ( 0.5340771 0.1384702 -0.1543284), wk = 0.0034843 k( 264) = ( 0.5302908 0.1374885 -0.1284918), wk = 0.0034843 k( 265) = ( 0.5265044 0.1365068 -0.1026553), wk = 0.0034843 k( 266) = ( 0.5227181 0.1355252 -0.0768188), wk = 0.0034843 k( 267) = ( 0.5189317 0.1345435 -0.0509822), wk = 0.0034843 k( 268) = ( 0.5151454 0.1335618 -0.0251456), wk = 0.0034843 k( 269) = ( 0.5113590 0.1325801 0.0006909), wk = 0.0034843 k( 270) = ( 0.5075727 0.1315984 0.0265275), wk = 0.0034843 k( 271) = ( 0.5037863 0.1306167 0.0523640), wk = 0.0034843 k( 272) = ( 0.5000000 0.1296350 0.0782006), wk = 0.0034843 k( 273) = ( 0.5000000 -0.8994279 -0.5425676), wk = 0.0034843 k( 274) = ( 0.5227181 -0.8901682 -0.5369818), wk = 0.0034843 k( 275) = ( 0.5454361 -0.8809086 -0.5313961), wk = 0.0034843 k( 276) = ( 0.5681542 -0.8716489 -0.5258103), wk = 0.0034843 k( 277) = ( 0.5908723 -0.8623893 -0.5202246), wk = 0.0034843 k( 278) = ( 0.6135903 -0.8531296 -0.5146388), wk = 0.0034843 k( 279) = ( 0.6363084 -0.8438700 -0.5090531), wk = 0.0034843 k( 280) = ( 0.6590265 -0.8346104 -0.5034673), wk = 0.0034843 k( 281) = ( 0.6817445 -0.8253507 -0.4978816), wk = 0.0034843 k( 282) = ( 0.7044626 -0.8160911 -0.4922958), wk = 0.0034843 k( 283) = ( 0.7271807 -0.8068314 -0.4867100), wk = 0.0034843 k( 284) = ( 0.7498987 -0.7975718 -0.4811243), wk = 0.0034843 k( 285) = ( 0.7726168 -0.7883121 -0.4755385), wk = 0.0034843 k( 286) = ( 0.7953349 -0.7790525 -0.4699528), wk = 0.0034843 k( 287) = ( 0.8180530 -0.7697928 -0.4643670), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034843 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0034843 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0034843 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0034843 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0034843 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0034843 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0034843 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0034843 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034843 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0034843 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0034843 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0034843 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0034843 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0034843 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0034843 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0034843 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0034843 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0034843 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0034843 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0034843 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0034843 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0034843 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 47) = ( 0.5000000 0.0064981 -0.0064981), wk = 0.0034843 k( 48) = ( 0.5000000 0.0129962 -0.0129962), wk = 0.0034843 k( 49) = ( 0.5000000 0.0194943 -0.0194943), wk = 0.0034843 k( 50) = ( 0.5000000 0.0259924 -0.0259924), wk = 0.0034843 k( 51) = ( 0.5000000 0.0324905 -0.0324905), wk = 0.0034843 k( 52) = ( 0.5000000 0.0389886 -0.0389887), wk = 0.0034843 k( 53) = ( 0.5000000 0.0454868 -0.0454868), wk = 0.0034843 k( 54) = ( 0.5000000 0.0519849 -0.0519849), wk = 0.0034843 k( 55) = ( 0.5000000 0.0584830 -0.0584830), wk = 0.0034843 k( 56) = ( 0.5000000 0.0649811 -0.0649811), wk = 0.0034843 k( 57) = ( 0.5000000 0.0714792 -0.0714792), wk = 0.0034843 k( 58) = ( 0.5000000 0.0779773 -0.0779773), wk = 0.0034843 k( 59) = ( 0.5000000 0.0844754 -0.0844754), wk = 0.0034843 k( 60) = ( 0.5000000 0.0909735 -0.0909735), wk = 0.0034843 k( 61) = ( 0.5000000 0.0974716 -0.0974716), wk = 0.0034843 k( 62) = ( 0.5000000 0.1039697 -0.1039697), wk = 0.0034843 k( 63) = ( 0.5000000 0.1104678 -0.1104679), wk = 0.0034843 k( 64) = ( 0.5000000 0.1169660 -0.1169660), wk = 0.0034843 k( 65) = ( 0.5000000 0.1234641 -0.1234641), wk = 0.0034843 k( 66) = ( 0.5000000 0.1299622 -0.1299622), wk = 0.0034843 k( 67) = ( 0.5000000 0.1364603 -0.1364603), wk = 0.0034843 k( 68) = ( 0.5000000 0.1429584 -0.1429584), wk = 0.0034843 k( 69) = ( 0.5000000 0.1494565 -0.1494565), wk = 0.0034843 k( 70) = ( 0.5000000 0.1559546 -0.1559546), wk = 0.0034843 k( 71) = ( 0.5000000 0.1624527 -0.1624527), wk = 0.0034843 k( 72) = ( 0.5000000 0.1689508 -0.1689508), wk = 0.0034843 k( 73) = ( 0.5000000 0.1754489 -0.1754489), wk = 0.0034843 k( 74) = ( 0.5000000 0.1819470 -0.1819471), wk = 0.0034843 k( 75) = ( 0.8180530 0.5000000 0.1819471), wk = 0.0034843 k( 76) = ( 0.8114269 0.5000000 0.1885731), wk = 0.0034843 k( 77) = ( 0.8048007 0.5000000 0.1951993), wk = 0.0034843 k( 78) = ( 0.7981746 0.5000000 0.2018254), wk = 0.0034843 k( 79) = ( 0.7915485 0.5000000 0.2084515), wk = 0.0034843 k( 80) = ( 0.7849224 0.5000000 0.2150776), wk = 0.0034843 k( 81) = ( 0.7782963 0.5000000 0.2217037), wk = 0.0034843 k( 82) = ( 0.7716702 0.5000000 0.2283298), wk = 0.0034843 k( 83) = ( 0.7650441 0.5000000 0.2349559), wk = 0.0034843 k( 84) = ( 0.7584180 0.5000000 0.2415820), wk = 0.0034843 k( 85) = ( 0.7517919 0.5000000 0.2482081), wk = 0.0034843 k( 86) = ( 0.7451658 0.5000000 0.2548342), wk = 0.0034843 k( 87) = ( 0.7385397 0.5000000 0.2614603), wk = 0.0034843 k( 88) = ( 0.7319136 0.5000000 0.2680864), wk = 0.0034843 k( 89) = ( 0.7252875 0.5000000 0.2747125), wk = 0.0034843 k( 90) = ( 0.7186614 0.5000000 0.2813386), wk = 0.0034843 k( 91) = ( 0.7120353 0.5000000 0.2879647), wk = 0.0034843 k( 92) = ( 0.7054092 0.5000000 0.2945908), wk = 0.0034843 k( 93) = ( 0.6987831 0.5000000 0.3012169), wk = 0.0034843 k( 94) = ( 0.6921570 0.5000000 0.3078430), wk = 0.0034843 k( 95) = ( 0.6855309 0.5000000 0.3144691), wk = 0.0034843 k( 96) = ( 0.6789048 0.5000000 0.3210952), wk = 0.0034843 k( 97) = ( 0.6722787 0.5000000 0.3277213), wk = 0.0034843 k( 98) = ( 0.6656526 0.5000000 0.3343474), wk = 0.0034843 k( 99) = ( 0.6590265 0.5000000 0.3409735), wk = 0.0034843 k( 100) = ( 0.6524004 0.5000000 0.3475996), wk = 0.0034843 k( 101) = ( 0.6457743 0.5000000 0.3542257), wk = 0.0034843 k( 102) = ( 0.6391482 0.5000000 0.3608518), wk = 0.0034843 k( 103) = ( 0.6325221 0.5000000 0.3674779), wk = 0.0034843 k( 104) = ( 0.6258960 0.5000000 0.3741040), wk = 0.0034843 k( 105) = ( 0.6192699 0.5000000 0.3807301), wk = 0.0034843 k( 106) = ( 0.6126438 0.5000000 0.3873562), wk = 0.0034843 k( 107) = ( 0.6060176 0.5000000 0.3939823), wk = 0.0034843 k( 108) = ( 0.5993915 0.5000000 0.4006085), wk = 0.0034843 k( 109) = ( 0.5927654 0.5000000 0.4072346), wk = 0.0034843 k( 110) = ( 0.5861393 0.5000000 0.4138607), wk = 0.0034843 k( 111) = ( 0.5795132 0.5000000 0.4204868), wk = 0.0034843 k( 112) = ( 0.5728871 0.5000000 0.4271129), wk = 0.0034843 k( 113) = ( 0.5662610 0.5000000 0.4337390), wk = 0.0034843 k( 114) = ( 0.5596349 0.5000000 0.4403651), wk = 0.0034843 k( 115) = ( 0.5530088 0.5000000 0.4469912), wk = 0.0034843 k( 116) = ( 0.5463827 0.5000000 0.4536173), wk = 0.0034843 k( 117) = ( 0.5397566 0.5000000 0.4602434), wk = 0.0034843 k( 118) = ( 0.5331305 0.5000000 0.4668695), wk = 0.0034843 k( 119) = ( 0.5265044 0.5000000 0.4734956), wk = 0.0034843 k( 120) = ( 0.5198783 0.5000000 0.4801217), wk = 0.0034843 k( 121) = ( 0.5132522 0.5000000 0.4867478), wk = 0.0034843 k( 122) = ( 0.5066261 0.5000000 0.4933739), wk = 0.0034843 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 125) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0034843 k( 126) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0034843 k( 127) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0034843 k( 128) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034843 k( 129) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0034843 k( 130) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0034843 k( 131) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0034843 k( 132) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034843 k( 133) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0034843 k( 134) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 135) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0034843 k( 136) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034843 k( 137) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0034843 k( 138) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0034843 k( 139) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0034843 k( 140) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034843 k( 141) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0034843 k( 142) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0034843 k( 143) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0034843 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 146) = ( 0.0066858 -0.0000000 -0.0066858), wk = 0.0034843 k( 147) = ( 0.0133715 -0.0000000 -0.0133715), wk = 0.0034843 k( 148) = ( 0.0200573 -0.0000000 -0.0200573), wk = 0.0034843 k( 149) = ( 0.0267430 -0.0000000 -0.0267430), wk = 0.0034843 k( 150) = ( 0.0334288 -0.0000000 -0.0334288), wk = 0.0034843 k( 151) = ( 0.0401145 -0.0000000 -0.0401145), wk = 0.0034843 k( 152) = ( 0.0468003 -0.0000000 -0.0468003), wk = 0.0034843 k( 153) = ( 0.0534860 -0.0000000 -0.0534860), wk = 0.0034843 k( 154) = ( 0.0601718 -0.0000000 -0.0601718), wk = 0.0034843 k( 155) = ( 0.0668576 -0.0000000 -0.0668576), wk = 0.0034843 k( 156) = ( 0.0735433 0.0000000 -0.0735433), wk = 0.0034843 k( 157) = ( 0.0802291 -0.0000000 -0.0802291), wk = 0.0034843 k( 158) = ( 0.0869148 -0.0000000 -0.0869148), wk = 0.0034843 k( 159) = ( 0.0936006 -0.0000000 -0.0936006), wk = 0.0034843 k( 160) = ( 0.1002863 -0.0000000 -0.1002863), wk = 0.0034843 k( 161) = ( 0.1069721 -0.0000000 -0.1069721), wk = 0.0034843 k( 162) = ( 0.1136578 -0.0000000 -0.1136578), wk = 0.0034843 k( 163) = ( 0.1203436 -0.0000000 -0.1203436), wk = 0.0034843 k( 164) = ( 0.1270294 -0.0000000 -0.1270294), wk = 0.0034843 k( 165) = ( 0.1337151 -0.0000000 -0.1337151), wk = 0.0034843 k( 166) = ( 0.1404009 -0.0000000 -0.1404009), wk = 0.0034843 k( 167) = ( 0.1470866 0.0000000 -0.1470866), wk = 0.0034843 k( 168) = ( 0.1537724 -0.0000000 -0.1537724), wk = 0.0034843 k( 169) = ( 0.1604581 -0.0000000 -0.1604581), wk = 0.0034843 k( 170) = ( 0.1671439 -0.0000000 -0.1671439), wk = 0.0034843 k( 171) = ( 0.1738296 -0.0000000 -0.1738296), wk = 0.0034843 k( 172) = ( 0.1805154 -0.0000000 -0.1805154), wk = 0.0034843 k( 173) = ( 0.1872012 -0.0000000 -0.1872012), wk = 0.0034843 k( 174) = ( 0.1938869 -0.0000000 -0.1938869), wk = 0.0034843 k( 175) = ( 0.2005727 -0.0000000 -0.2005727), wk = 0.0034843 k( 176) = ( 0.2072584 0.0000000 -0.2072584), wk = 0.0034843 k( 177) = ( 0.2139442 0.0000000 -0.2139442), wk = 0.0034843 k( 178) = ( 0.2206299 -0.0000000 -0.2206299), wk = 0.0034843 k( 179) = ( 0.2273157 -0.0000000 -0.2273157), wk = 0.0034843 k( 180) = ( 0.2340014 -0.0000000 -0.2340014), wk = 0.0034843 k( 181) = ( 0.2406872 -0.0000000 -0.2406872), wk = 0.0034843 k( 182) = ( 0.2473730 0.0000000 -0.2473730), wk = 0.0034843 k( 183) = ( 0.2540587 0.0000000 -0.2540587), wk = 0.0034843 k( 184) = ( 0.2607445 -0.0000000 -0.2607445), wk = 0.0034843 k( 185) = ( 0.2674302 -0.0000000 -0.2674302), wk = 0.0034843 k( 186) = ( 0.2741160 -0.0000000 -0.2741160), wk = 0.0034843 k( 187) = ( 0.2808017 0.0000000 -0.2808017), wk = 0.0034843 k( 188) = ( 0.2874875 -0.0000000 -0.2874875), wk = 0.0034843 k( 189) = ( 0.2941732 0.0000000 -0.2941732), wk = 0.0034843 k( 190) = ( 0.3008590 -0.0000000 -0.3008590), wk = 0.0034843 k( 191) = ( 0.3075447 -0.0000000 -0.3075447), wk = 0.0034843 k( 192) = ( 0.3142305 0.0000000 -0.3142305), wk = 0.0034843 k( 193) = ( 0.3209163 -0.0000000 -0.3209163), wk = 0.0034843 k( 194) = ( 0.3276020 -0.0000000 -0.3276020), wk = 0.0034843 k( 195) = ( 0.3342878 -0.0000000 -0.3342878), wk = 0.0034843 k( 196) = ( 0.3409735 -0.0000000 -0.3409735), wk = 0.0034843 k( 197) = ( 0.6590265 0.3409735 -0.0000000), wk = 0.0034843 k( 198) = ( 0.6524004 0.3475996 -0.0000000), wk = 0.0034843 k( 199) = ( 0.6457743 0.3542257 -0.0000000), wk = 0.0034843 k( 200) = ( 0.6391482 0.3608518 -0.0000000), wk = 0.0034843 k( 201) = ( 0.6325221 0.3674779 -0.0000000), wk = 0.0034843 k( 202) = ( 0.6258960 0.3741040 -0.0000000), wk = 0.0034843 k( 203) = ( 0.6192699 0.3807301 -0.0000000), wk = 0.0034843 k( 204) = ( 0.6126438 0.3873562 -0.0000000), wk = 0.0034843 k( 205) = ( 0.6060176 0.3939823 -0.0000000), wk = 0.0034843 k( 206) = ( 0.5993915 0.4006085 -0.0000000), wk = 0.0034843 k( 207) = ( 0.5927654 0.4072346 -0.0000000), wk = 0.0034843 k( 208) = ( 0.5861393 0.4138607 -0.0000000), wk = 0.0034843 k( 209) = ( 0.5795132 0.4204868 -0.0000000), wk = 0.0034843 k( 210) = ( 0.5728871 0.4271129 -0.0000000), wk = 0.0034843 k( 211) = ( 0.5662610 0.4337390 -0.0000000), wk = 0.0034843 k( 212) = ( 0.5596349 0.4403651 -0.0000000), wk = 0.0034843 k( 213) = ( 0.5530088 0.4469912 -0.0000000), wk = 0.0034843 k( 214) = ( 0.5463827 0.4536173 -0.0000000), wk = 0.0034843 k( 215) = ( 0.5397566 0.4602434 -0.0000000), wk = 0.0034843 k( 216) = ( 0.5331305 0.4668695 -0.0000000), wk = 0.0034843 k( 217) = ( 0.5265044 0.4734956 -0.0000000), wk = 0.0034843 k( 218) = ( 0.5198783 0.4801217 -0.0000000), wk = 0.0034843 k( 219) = ( 0.5132522 0.4867478 -0.0000000), wk = 0.0034843 k( 220) = ( 0.5066261 0.4933739 -0.0000000), wk = 0.0034843 k( 221) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 222) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034843 k( 223) = ( 0.5227181 0.5227181 0.0259924), wk = 0.0034843 k( 224) = ( 0.5454361 0.5454361 0.0519849), wk = 0.0034843 k( 225) = ( 0.5681542 0.5681542 0.0779773), wk = 0.0034843 k( 226) = ( 0.5908723 0.5908723 0.1039697), wk = 0.0034843 k( 227) = ( 0.6135903 0.6135903 0.1299622), wk = 0.0034843 k( 228) = ( 0.6363084 0.6363084 0.1559546), wk = 0.0034843 k( 229) = ( 0.6590265 0.6590265 0.1819470), wk = 0.0034843 k( 230) = ( 0.6590265 0.6590265 0.1819470), wk = 0.0034843 k( 231) = ( 0.6552401 0.6552401 0.1895197), wk = 0.0034843 k( 232) = ( 0.6514538 0.6514538 0.1970924), wk = 0.0034843 k( 233) = ( 0.6476674 0.6476674 0.2046651), wk = 0.0034843 k( 234) = ( 0.6438811 0.6438811 0.2122378), wk = 0.0034843 k( 235) = ( 0.6400948 0.6400948 0.2198105), wk = 0.0034843 k( 236) = ( 0.6363084 0.6363084 0.2273832), wk = 0.0034843 k( 237) = ( 0.6325221 0.6325221 0.2349559), wk = 0.0034843 k( 238) = ( 0.6287357 0.6287357 0.2425286), wk = 0.0034843 k( 239) = ( 0.6249494 0.6249494 0.2501012), wk = 0.0034843 k( 240) = ( 0.6211630 0.6211630 0.2576739), wk = 0.0034843 k( 241) = ( 0.6173767 0.6173767 0.2652466), wk = 0.0034843 k( 242) = ( 0.6135903 0.6135903 0.2728193), wk = 0.0034843 k( 243) = ( 0.6098040 0.6098040 0.2803920), wk = 0.0034843 k( 244) = ( 0.6060176 0.6060176 0.2879647), wk = 0.0034843 k( 245) = ( 0.6022313 0.6022313 0.2955374), wk = 0.0034843 k( 246) = ( 0.5984450 0.5984450 0.3031101), wk = 0.0034843 k( 247) = ( 0.5946586 0.5946586 0.3106828), wk = 0.0034843 k( 248) = ( 0.5908723 0.5908723 0.3182555), wk = 0.0034843 k( 249) = ( 0.5870859 0.5870859 0.3258281), wk = 0.0034843 k( 250) = ( 0.5832996 0.5832996 0.3334008), wk = 0.0034843 k( 251) = ( 0.5795132 0.5795132 0.3409735), wk = 0.0034843 k( 252) = ( 0.5757269 0.5757269 0.3485462), wk = 0.0034843 k( 253) = ( 0.5719405 0.5719405 0.3561189), wk = 0.0034843 k( 254) = ( 0.5681542 0.5681542 0.3636916), wk = 0.0034843 k( 255) = ( 0.5643679 0.5643679 0.3712643), wk = 0.0034843 k( 256) = ( 0.5605815 0.5605815 0.3788370), wk = 0.0034843 k( 257) = ( 0.5567952 0.5567952 0.3864097), wk = 0.0034843 k( 258) = ( 0.5530088 0.5530088 0.3939823), wk = 0.0034843 k( 259) = ( 0.5492225 0.5492225 0.4015550), wk = 0.0034843 k( 260) = ( 0.5454361 0.5454361 0.4091277), wk = 0.0034843 k( 261) = ( 0.5416498 0.5416498 0.4167004), wk = 0.0034843 k( 262) = ( 0.5378635 0.5378635 0.4242731), wk = 0.0034843 k( 263) = ( 0.5340771 0.5340771 0.4318458), wk = 0.0034843 k( 264) = ( 0.5302908 0.5302908 0.4394185), wk = 0.0034843 k( 265) = ( 0.5265044 0.5265044 0.4469912), wk = 0.0034843 k( 266) = ( 0.5227181 0.5227181 0.4545639), wk = 0.0034843 k( 267) = ( 0.5189317 0.5189317 0.4621365), wk = 0.0034843 k( 268) = ( 0.5151454 0.5151454 0.4697092), wk = 0.0034843 k( 269) = ( 0.5113590 0.5113590 0.4772819), wk = 0.0034843 k( 270) = ( 0.5075727 0.5075727 0.4848546), wk = 0.0034843 k( 271) = ( 0.5037863 0.5037863 0.4924273), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034843 k( 273) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 274) = ( 0.5227181 0.0243552 0.0243552), wk = 0.0034843 k( 275) = ( 0.5454361 0.0487105 0.0487105), wk = 0.0034843 k( 276) = ( 0.5681542 0.0730658 0.0730658), wk = 0.0034843 k( 277) = ( 0.5908723 0.0974210 0.0974210), wk = 0.0034843 k( 278) = ( 0.6135903 0.1217763 0.1217763), wk = 0.0034843 k( 279) = ( 0.6363084 0.1461315 0.1461315), wk = 0.0034843 k( 280) = ( 0.6590265 0.1704868 0.1704868), wk = 0.0034843 k( 281) = ( 0.6817445 0.1948420 0.1948420), wk = 0.0034843 k( 282) = ( 0.7044626 0.2191973 0.2191973), wk = 0.0034843 k( 283) = ( 0.7271807 0.2435525 0.2435525), wk = 0.0034843 k( 284) = ( 0.7498987 0.2679078 0.2679078), wk = 0.0034843 k( 285) = ( 0.7726168 0.2922630 0.2922630), wk = 0.0034843 k( 286) = ( 0.7953349 0.3166183 0.3166183), wk = 0.0034843 k( 287) = ( 0.8180530 0.3409735 0.3409735), wk = 0.0034843 Dense grid: 113401 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 40971 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 286, 44) NL pseudopotentials 0.30 Mb ( 143, 136) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.02 Mb ( 3151) G-vector shells 0.02 Mb ( 2544) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.77 Mb ( 286, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScTlTe2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.2 secs Computing kpt #: 9 total cpu time spent up to now is 13.2 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 15.3 secs Computing kpt #: 12 total cpu time spent up to now is 16.3 secs Computing kpt #: 13 total cpu time spent up to now is 17.3 secs Computing kpt #: 14 total cpu time spent up to now is 18.4 secs Computing kpt #: 15 total cpu time spent up to now is 19.4 secs Computing kpt #: 16 total cpu time spent up to now is 20.6 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.8 secs Computing kpt #: 21 total cpu time spent up to now is 26.1 secs Computing kpt #: 22 total cpu time spent up to now is 27.1 secs Computing kpt #: 23 total cpu time spent up to now is 28.3 secs Computing kpt #: 24 total cpu time spent up to now is 29.4 secs Computing kpt #: 25 total cpu time spent up to now is 30.7 secs Computing kpt #: 26 total cpu time spent up to now is 32.1 secs Computing kpt #: 27 total cpu time spent up to now is 33.3 secs Computing kpt #: 28 total cpu time spent up to now is 35.0 secs Computing kpt #: 29 total cpu time spent up to now is 36.4 secs Computing kpt #: 30 total cpu time spent up to now is 37.7 secs Computing kpt #: 31 total cpu time spent up to now is 39.1 secs Computing kpt #: 32 total cpu time spent up to now is 40.7 secs Computing kpt #: 33 total cpu time spent up to now is 42.0 secs Computing kpt #: 34 total cpu time spent up to now is 43.3 secs Computing kpt #: 35 total cpu time spent up to now is 44.4 secs Computing kpt #: 36 total cpu time spent up to now is 45.4 secs Computing kpt #: 37 total cpu time spent up to now is 46.4 secs Computing kpt #: 38 total cpu time spent up to now is 47.5 secs Computing kpt #: 39 total cpu time spent up to now is 48.5 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 50.6 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.6 secs Computing kpt #: 44 total cpu time spent up to now is 53.7 secs Computing kpt #: 45 total cpu time spent up to now is 54.7 secs Computing kpt #: 46 total cpu time spent up to now is 55.7 secs Computing kpt #: 47 total cpu time spent up to now is 56.8 secs Computing kpt #: 48 total cpu time spent up to now is 57.8 secs Computing kpt #: 49 total cpu time spent up to now is 58.8 secs Computing kpt #: 50 total cpu time spent up to now is 59.9 secs Computing kpt #: 51 total cpu time spent up to now is 60.9 secs Computing kpt #: 52 total cpu time spent up to now is 61.9 secs Computing kpt #: 53 total cpu time spent up to now is 63.0 secs Computing kpt #: 54 total cpu time spent up to now is 64.0 secs Computing kpt #: 55 total cpu time spent up to now is 65.0 secs Computing kpt #: 56 total cpu time spent up to now is 66.0 secs Computing kpt #: 57 total cpu time spent up to now is 67.1 secs Computing kpt #: 58 total cpu time spent up to now is 68.1 secs Computing kpt #: 59 total cpu time spent up to now is 69.1 secs Computing kpt #: 60 total cpu time spent up to now is 70.1 secs Computing kpt #: 61 total cpu time spent up to now is 71.1 secs Computing kpt #: 62 total cpu time spent up to now is 72.2 secs Computing kpt #: 63 total cpu time spent up to now is 73.2 secs Computing kpt #: 64 total cpu time spent up to now is 74.2 secs Computing kpt #: 65 total cpu time spent up to now is 75.3 secs Computing kpt #: 66 total cpu time spent up to now is 76.3 secs Computing kpt #: 67 total cpu time spent up to now is 77.3 secs Computing kpt #: 68 total cpu time spent up to now is 78.4 secs Computing kpt #: 69 total cpu time spent up to now is 79.6 secs Computing kpt #: 70 total cpu time spent up to now is 80.8 secs Computing kpt #: 71 total cpu time spent up to now is 82.2 secs Computing kpt #: 72 total cpu time spent up to now is 83.6 secs Computing kpt #: 73 total cpu time spent up to now is 85.0 secs Computing kpt #: 74 total cpu time spent up to now is 86.2 secs Computing kpt #: 75 total cpu time spent up to now is 87.6 secs Computing kpt #: 76 total cpu time spent up to now is 88.9 secs Computing kpt #: 77 total cpu time spent up to now is 90.5 secs Computing kpt #: 78 total cpu time spent up to now is 91.9 secs Computing kpt #: 79 total cpu time spent up to now is 93.4 secs Computing kpt #: 80 total cpu time spent up to now is 94.9 secs Computing kpt #: 81 total cpu time spent up to now is 96.5 secs Computing kpt #: 82 total cpu time spent up to now is 98.0 secs Computing kpt #: 83 total cpu time spent up to now is 99.5 secs Computing kpt #: 84 total cpu time spent up to now is 101.1 secs Computing kpt #: 85 total cpu time spent up to now is 102.5 secs Computing kpt #: 86 total cpu time spent up to now is 104.1 secs Computing kpt #: 87 total cpu time spent up to now is 105.7 secs Computing kpt #: 88 total cpu time spent up to now is 107.3 secs Computing kpt #: 89 total cpu time spent up to now is 108.9 secs Computing kpt #: 90 total cpu time spent up to now is 110.5 secs Computing kpt #: 91 total cpu time spent up to now is 112.0 secs Computing kpt #: 92 total cpu time spent up to now is 113.6 secs Computing kpt #: 93 total cpu time spent up to now is 115.1 secs Computing kpt #: 94 total cpu time spent up to now is 116.6 secs Computing kpt #: 95 total cpu time spent up to now is 118.2 secs Computing kpt #: 96 total cpu time spent up to now is 119.3 secs Computing kpt #: 97 total cpu time spent up to now is 120.3 secs Computing kpt #: 98 total cpu time spent up to now is 121.8 secs Computing kpt #: 99 total cpu time spent up to now is 122.8 secs Computing kpt #: 100 total cpu time spent up to now is 123.9 secs Computing kpt #: 101 total cpu time spent up to now is 124.9 secs Computing kpt #: 102 total cpu time spent up to now is 126.1 secs Computing kpt #: 103 total cpu time spent up to now is 127.2 secs Computing kpt #: 104 total cpu time spent up to now is 128.2 secs Computing kpt #: 105 total cpu time spent up to now is 129.3 secs Computing kpt #: 106 total cpu time spent up to now is 130.3 secs Computing kpt #: 107 total cpu time spent up to now is 131.3 secs Computing kpt #: 108 total cpu time spent up to now is 132.4 secs Computing kpt #: 109 total cpu time spent up to now is 133.4 secs Computing kpt #: 110 total cpu time spent up to now is 134.5 secs Computing kpt #: 111 total cpu time spent up to now is 135.5 secs Computing kpt #: 112 total cpu time spent up to now is 136.6 secs Computing kpt #: 113 total cpu time spent up to now is 137.8 secs Computing kpt #: 114 total cpu time spent up to now is 138.8 secs Computing kpt #: 115 total cpu time spent up to now is 139.9 secs Computing kpt #: 116 total cpu time spent up to now is 140.9 secs Computing kpt #: 117 total cpu time spent up to now is 142.0 secs Computing kpt #: 118 total cpu time spent up to now is 143.0 secs Computing kpt #: 119 total cpu time spent up to now is 144.2 secs Computing kpt #: 120 total cpu time spent up to now is 145.2 secs Computing kpt #: 121 total cpu time spent up to now is 146.3 secs Computing kpt #: 122 total cpu time spent up to now is 147.3 secs Computing kpt #: 123 total cpu time spent up to now is 148.4 secs Computing kpt #: 124 total cpu time spent up to now is 149.4 secs Computing kpt #: 125 total cpu time spent up to now is 150.4 secs Computing kpt #: 126 total cpu time spent up to now is 151.5 secs Computing kpt #: 127 total cpu time spent up to now is 152.5 secs Computing kpt #: 128 total cpu time spent up to now is 153.6 secs Computing kpt #: 129 total cpu time spent up to now is 154.6 secs Computing kpt #: 130 total cpu time spent up to now is 155.7 secs Computing kpt #: 131 total cpu time spent up to now is 156.7 secs Computing kpt #: 132 total cpu time spent up to now is 157.7 secs Computing kpt #: 133 total cpu time spent up to now is 158.8 secs Computing kpt #: 134 total cpu time spent up to now is 159.8 secs Computing kpt #: 135 total cpu time spent up to now is 160.9 secs Computing kpt #: 136 total cpu time spent up to now is 161.9 secs Computing kpt #: 137 total cpu time spent up to now is 163.0 secs Computing kpt #: 138 total cpu time spent up to now is 164.0 secs Computing kpt #: 139 total cpu time spent up to now is 165.1 secs Computing kpt #: 140 total cpu time spent up to now is 166.1 secs Computing kpt #: 141 total cpu time spent up to now is 167.1 secs Computing kpt #: 142 total cpu time spent up to now is 168.2 secs Computing kpt #: 143 total cpu time spent up to now is 169.2 secs Computing kpt #: 144 total cpu time spent up to now is 170.2 secs Computing kpt #: 145 total cpu time spent up to now is 171.2 secs Computing kpt #: 146 total cpu time spent up to now is 172.3 secs Computing kpt #: 147 total cpu time spent up to now is 173.3 secs Computing kpt #: 148 total cpu time spent up to now is 174.4 secs Computing kpt #: 149 total cpu time spent up to now is 175.5 secs Computing kpt #: 150 total cpu time spent up to now is 176.5 secs Computing kpt #: 151 total cpu time spent up to now is 177.6 secs Computing kpt #: 152 total cpu time spent up to now is 178.6 secs Computing kpt #: 153 total cpu time spent up to now is 179.6 secs Computing kpt #: 154 total cpu time spent up to now is 180.7 secs Computing kpt #: 155 total cpu time spent up to now is 181.8 secs Computing kpt #: 156 total cpu time spent up to now is 182.8 secs Computing kpt #: 157 total cpu time spent up to now is 183.8 secs Computing kpt #: 158 total cpu time spent up to now is 184.9 secs Computing kpt #: 159 total cpu time spent up to now is 185.9 secs Computing kpt #: 160 total cpu time spent up to now is 187.1 secs Computing kpt #: 161 total cpu time spent up to now is 188.2 secs Computing kpt #: 162 total cpu time spent up to now is 189.2 secs Computing kpt #: 163 total cpu time spent up to now is 190.3 secs Computing kpt #: 164 total cpu time spent up to now is 191.5 secs Computing kpt #: 165 total cpu time spent up to now is 192.7 secs Computing kpt #: 166 total cpu time spent up to now is 193.9 secs Computing kpt #: 167 total cpu time spent up to now is 195.2 secs Computing kpt #: 168 total cpu time spent up to now is 196.5 secs Computing kpt #: 169 total cpu time spent up to now is 197.8 secs Computing kpt #: 170 total cpu time spent up to now is 199.4 secs Computing kpt #: 171 total cpu time spent up to now is 200.6 secs Computing kpt #: 172 total cpu time spent up to now is 202.2 secs Computing kpt #: 173 total cpu time spent up to now is 203.4 secs Computing kpt #: 174 total cpu time spent up to now is 204.8 secs Computing kpt #: 175 total cpu time spent up to now is 206.2 secs Computing kpt #: 176 total cpu time spent up to now is 207.5 secs Computing kpt #: 177 total cpu time spent up to now is 208.9 secs Computing kpt #: 178 total cpu time spent up to now is 210.2 secs Computing kpt #: 179 total cpu time spent up to now is 211.5 secs Computing kpt #: 180 total cpu time spent up to now is 212.5 secs Computing kpt #: 181 total cpu time spent up to now is 213.7 secs Computing kpt #: 182 total cpu time spent up to now is 214.8 secs Computing kpt #: 183 total cpu time spent up to now is 215.8 secs Computing kpt #: 184 total cpu time spent up to now is 216.8 secs Computing kpt #: 185 total cpu time spent up to now is 217.9 secs Computing kpt #: 186 total cpu time spent up to now is 218.9 secs Computing kpt #: 187 total cpu time spent up to now is 220.1 secs Computing kpt #: 188 total cpu time spent up to now is 221.4 secs Computing kpt #: 189 total cpu time spent up to now is 222.8 secs Computing kpt #: 190 total cpu time spent up to now is 224.0 secs Computing kpt #: 191 total cpu time spent up to now is 225.6 secs Computing kpt #: 192 total cpu time spent up to now is 227.2 secs Computing kpt #: 193 total cpu time spent up to now is 228.8 secs Computing kpt #: 194 total cpu time spent up to now is 230.0 secs Computing kpt #: 195 total cpu time spent up to now is 231.3 secs Computing kpt #: 196 total cpu time spent up to now is 232.7 secs Computing kpt #: 197 total cpu time spent up to now is 233.9 secs Computing kpt #: 198 total cpu time spent up to now is 235.2 secs Computing kpt #: 199 total cpu time spent up to now is 236.4 secs Computing kpt #: 200 total cpu time spent up to now is 237.5 secs Computing kpt #: 201 total cpu time spent up to now is 238.7 secs Computing kpt #: 202 total cpu time spent up to now is 240.0 secs Computing kpt #: 203 total cpu time spent up to now is 241.3 secs Computing kpt #: 204 total cpu time spent up to now is 242.6 secs Computing kpt #: 205 total cpu time spent up to now is 243.7 secs Computing kpt #: 206 total cpu time spent up to now is 245.1 secs Computing kpt #: 207 total cpu time spent up to now is 246.5 secs Computing kpt #: 208 total cpu time spent up to now is 248.0 secs Computing kpt #: 209 total cpu time spent up to now is 249.5 secs Computing kpt #: 210 total cpu time spent up to now is 250.8 secs Computing kpt #: 211 total cpu time spent up to now is 252.3 secs Computing kpt #: 212 total cpu time spent up to now is 253.6 secs Computing kpt #: 213 total cpu time spent up to now is 254.8 secs Computing kpt #: 214 total cpu time spent up to now is 256.2 secs Computing kpt #: 215 total cpu time spent up to now is 257.2 secs Computing kpt #: 216 total cpu time spent up to now is 258.5 secs Computing kpt #: 217 total cpu time spent up to now is 259.5 secs Computing kpt #: 218 total cpu time spent up to now is 260.5 secs Computing kpt #: 219 total cpu time spent up to now is 261.6 secs Computing kpt #: 220 total cpu time spent up to now is 262.7 secs Computing kpt #: 221 total cpu time spent up to now is 263.7 secs Computing kpt #: 222 total cpu time spent up to now is 264.7 secs Computing kpt #: 223 total cpu time spent up to now is 265.7 secs Computing kpt #: 224 total cpu time spent up to now is 266.7 secs Computing kpt #: 225 total cpu time spent up to now is 267.7 secs Computing kpt #: 226 total cpu time spent up to now is 268.7 secs Computing kpt #: 227 total cpu time spent up to now is 269.8 secs Computing kpt #: 228 total cpu time spent up to now is 270.8 secs Computing kpt #: 229 total cpu time spent up to now is 271.8 secs Computing kpt #: 230 total cpu time spent up to now is 272.8 secs Computing kpt #: 231 total cpu time spent up to now is 273.8 secs Computing kpt #: 232 total cpu time spent up to now is 274.8 secs Computing kpt #: 233 total cpu time spent up to now is 275.8 secs Computing kpt #: 234 total cpu time spent up to now is 276.9 secs Computing kpt #: 235 total cpu time spent up to now is 277.9 secs Computing kpt #: 236 total cpu time spent up to now is 278.9 secs Computing kpt #: 237 total cpu time spent up to now is 279.9 secs Computing kpt #: 238 total cpu time spent up to now is 280.9 secs Computing kpt #: 239 total cpu time spent up to now is 281.9 secs Computing kpt #: 240 total cpu time spent up to now is 283.0 secs Computing kpt #: 241 total cpu time spent up to now is 284.0 secs Computing kpt #: 242 total cpu time spent up to now is 285.0 secs Computing kpt #: 243 total cpu time spent up to now is 286.0 secs Computing kpt #: 244 total cpu time spent up to now is 287.0 secs Computing kpt #: 245 total cpu time spent up to now is 288.1 secs Computing kpt #: 246 total cpu time spent up to now is 289.1 secs Computing kpt #: 247 total cpu time spent up to now is 290.1 secs Computing kpt #: 248 total cpu time spent up to now is 291.1 secs Computing kpt #: 249 total cpu time spent up to now is 292.2 secs Computing kpt #: 250 total cpu time spent up to now is 293.2 secs Computing kpt #: 251 total cpu time spent up to now is 294.2 secs Computing kpt #: 252 total cpu time spent up to now is 295.3 secs Computing kpt #: 253 total cpu time spent up to now is 296.3 secs Computing kpt #: 254 total cpu time spent up to now is 297.5 secs Computing kpt #: 255 total cpu time spent up to now is 298.7 secs Computing kpt #: 256 total cpu time spent up to now is 300.3 secs Computing kpt #: 257 total cpu time spent up to now is 301.4 secs Computing kpt #: 258 total cpu time spent up to now is 302.6 secs Computing kpt #: 259 total cpu time spent up to now is 303.8 secs Computing kpt #: 260 total cpu time spent up to now is 304.9 secs Computing kpt #: 261 total cpu time spent up to now is 306.1 secs Computing kpt #: 262 total cpu time spent up to now is 307.3 secs Computing kpt #: 263 total cpu time spent up to now is 308.3 secs Computing kpt #: 264 total cpu time spent up to now is 309.4 secs Computing kpt #: 265 total cpu time spent up to now is 310.5 secs Computing kpt #: 266 total cpu time spent up to now is 311.5 secs Computing kpt #: 267 total cpu time spent up to now is 312.5 secs Computing kpt #: 268 total cpu time spent up to now is 313.6 secs Computing kpt #: 269 total cpu time spent up to now is 314.6 secs Computing kpt #: 270 total cpu time spent up to now is 315.6 secs Computing kpt #: 271 total cpu time spent up to now is 316.7 secs Computing kpt #: 272 total cpu time spent up to now is 317.7 secs Computing kpt #: 273 total cpu time spent up to now is 318.8 secs Computing kpt #: 274 total cpu time spent up to now is 319.8 secs Computing kpt #: 275 total cpu time spent up to now is 320.8 secs Computing kpt #: 276 total cpu time spent up to now is 321.8 secs Computing kpt #: 277 total cpu time spent up to now is 322.9 secs Computing kpt #: 278 total cpu time spent up to now is 323.9 secs Computing kpt #: 279 total cpu time spent up to now is 325.0 secs Computing kpt #: 280 total cpu time spent up to now is 326.0 secs Computing kpt #: 281 total cpu time spent up to now is 327.0 secs Computing kpt #: 282 total cpu time spent up to now is 328.1 secs Computing kpt #: 283 total cpu time spent up to now is 329.1 secs Computing kpt #: 284 total cpu time spent up to now is 330.1 secs Computing kpt #: 285 total cpu time spent up to now is 331.2 secs Computing kpt #: 286 total cpu time spent up to now is 332.2 secs Computing kpt #: 287 total cpu time spent up to now is 333.5 secs ethr = 2.78E-08, avg # of iterations = 22.1 total cpu time spent up to now is 333.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5099 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0828 -5.0828 -5.0543 -5.0543 -4.2764 -4.2764 -3.3550 -3.3550 -2.9294 -2.9294 -2.8726 -2.8726 -2.8659 -2.8659 0.6572 0.6572 5.1549 5.1549 5.5868 5.5868 5.5906 5.5906 5.7195 5.7195 6.8888 6.8888 7.3944 7.3944 8.5123 8.5123 8.5144 8.5144 8.9402 8.9402 10.3864 10.3864 k = 0.0114-0.0204-0.0123 ( 5101 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2549 -21.2549 -5.0828 -5.0828 -5.0543 -5.0543 -4.2754 -4.2754 -3.3549 -3.3549 -2.9292 -2.9292 -2.8725 -2.8725 -2.8657 -2.8657 0.6584 0.6584 5.1514 5.1514 5.5412 5.5412 5.6222 5.6222 5.7329 5.7329 6.8855 6.8855 7.3878 7.3878 8.5142 8.5142 8.5176 8.5176 8.9444 8.9444 10.3496 10.3496 k = 0.0227-0.0409-0.0247 ( 5101 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2549 -21.2549 -5.0828 -5.0828 -5.0544 -5.0544 -4.2725 -4.2725 -3.3548 -3.3548 -2.9288 -2.9288 -2.8722 -2.8722 -2.8649 -2.8649 0.6622 0.6622 5.1406 5.1406 5.4889 5.4889 5.6373 5.6373 5.7686 5.7686 6.8758 6.8758 7.3687 7.3687 8.5190 8.5190 8.5273 8.5273 8.9571 8.9571 10.2672 10.2672 k = 0.0341-0.0613-0.0370 ( 5087 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2582 -21.2582 -21.2550 -21.2550 -5.0827 -5.0827 -5.0544 -5.0544 -4.2676 -4.2676 -3.3546 -3.3546 -2.9280 -2.9280 -2.8717 -2.8717 -2.8636 -2.8636 0.6685 0.6685 5.1217 5.1217 5.4367 5.4367 5.6416 5.6416 5.8145 5.8145 6.8602 6.8602 7.3386 7.3386 8.5255 8.5255 8.5427 8.5427 8.9782 8.9782 10.1684 10.1684 k = 0.0455-0.0818-0.0493 ( 5086 PWs) bands (ev): -42.8221 -42.8221 -21.7651 -21.7651 -21.2583 -21.2583 -21.2552 -21.2552 -5.0826 -5.0826 -5.0546 -5.0546 -4.2608 -4.2608 -3.3542 -3.3542 -2.9270 -2.9270 -2.8712 -2.8712 -2.8616 -2.8616 0.6774 0.6774 5.0939 5.0939 5.3875 5.3875 5.6411 5.6411 5.8621 5.8621 6.8393 6.8393 7.2996 7.2996 8.5322 8.5322 8.5632 8.5632 9.0072 9.0072 10.0643 10.0643 k = 0.0568-0.1022-0.0617 ( 5087 PWs) bands (ev): -42.8220 -42.8220 -21.7652 -21.7652 -21.2583 -21.2583 -21.2553 -21.2553 -5.0826 -5.0826 -5.0547 -5.0547 -4.2521 -4.2521 -3.3538 -3.3538 -2.9258 -2.9258 -2.8708 -2.8708 -2.8588 -2.8588 0.6886 0.6886 5.0567 5.0567 5.3427 5.3427 5.6381 5.6381 5.9074 5.9074 6.8140 6.8140 7.2541 7.2541 8.5377 8.5377 8.5878 8.5878 9.0429 9.0429 9.9595 9.9595 k = 0.0682-0.1226-0.0740 ( 5089 PWs) bands (ev): -42.8220 -42.8220 -21.7653 -21.7653 -21.2583 -21.2583 -21.2556 -21.2556 -5.0825 -5.0825 -5.0549 -5.0549 -4.2414 -4.2414 -3.3532 -3.3532 -2.9244 -2.9244 -2.8704 -2.8704 -2.8552 -2.8552 0.7024 0.7024 5.0106 5.0106 5.3020 5.3020 5.6334 5.6334 5.9486 5.9486 6.7855 6.7855 7.2042 7.2042 8.5410 8.5410 8.6160 8.6160 9.0836 9.0836 9.8573 9.8573 k = 0.0795-0.1431-0.0863 ( 5089 PWs) bands (ev): -42.8220 -42.8220 -21.7654 -21.7654 -21.2584 -21.2584 -21.2558 -21.2558 -5.0825 -5.0825 -5.0551 -5.0551 -4.2289 -4.2289 -3.3525 -3.3525 -2.9229 -2.9229 -2.8700 -2.8700 -2.8509 -2.8509 0.7185 0.7185 4.9572 4.9572 5.2638 5.2638 5.6274 5.6274 5.9845 5.9845 6.7548 6.7548 7.1517 7.1517 8.5417 8.5417 8.6471 8.6471 9.1262 9.1262 9.7610 9.7610 k = 0.0909-0.1635-0.0986 ( 5090 PWs) bands (ev): -42.8220 -42.8220 -21.7656 -21.7656 -21.2585 -21.2585 -21.2561 -21.2561 -5.0824 -5.0824 -5.0553 -5.0553 -4.2145 -4.2145 -3.3516 -3.3516 -2.9214 -2.9214 -2.8696 -2.8696 -2.8457 -2.8457 0.7369 0.7369 4.8985 4.8985 5.2262 5.2262 5.6203 5.6203 6.0142 6.0142 6.7227 6.7227 7.0981 7.0981 8.5397 8.5397 8.6803 8.6803 9.1665 9.1665 9.6748 9.6748 k = 0.1023-0.1840-0.1110 ( 5088 PWs) bands (ev): -42.8219 -42.8219 -21.7658 -21.7658 -21.2586 -21.2586 -21.2563 -21.2563 -5.0823 -5.0823 -5.0555 -5.0555 -4.1983 -4.1983 -3.3506 -3.3506 -2.9198 -2.9198 -2.8691 -2.8691 -2.8399 -2.8399 0.7576 0.7576 4.8363 4.8363 5.1870 5.1870 5.6122 5.6122 6.0374 6.0374 6.6900 6.6900 7.0444 7.0444 8.5352 8.5352 8.7152 8.7152 9.1976 9.1976 9.6054 9.6054 k = 0.1136-0.2044-0.1233 ( 5089 PWs) bands (ev): -42.8219 -42.8219 -21.7659 -21.7659 -21.2588 -21.2588 -21.2566 -21.2566 -5.0823 -5.0823 -5.0558 -5.0558 -4.1804 -4.1804 -3.3493 -3.3493 -2.9183 -2.9183 -2.8687 -2.8687 -2.8334 -2.8334 0.7805 0.7805 4.7720 4.7720 5.1444 5.1444 5.6035 5.6035 6.0540 6.0540 6.6569 6.6569 6.9915 6.9915 8.5283 8.5283 8.7511 8.7511 9.2099 9.2099 9.5625 9.5625 k = 0.1250-0.2249-0.1356 ( 5091 PWs) bands (ev): -42.8219 -42.8219 -21.7662 -21.7662 -21.2590 -21.2590 -21.2568 -21.2568 -5.0822 -5.0822 -5.0561 -5.0561 -4.1607 -4.1607 -3.3478 -3.3478 -2.9168 -2.9168 -2.8681 -2.8681 -2.8262 -2.8262 0.8055 0.8055 4.7068 4.7068 5.0974 5.0974 5.5944 5.5944 6.0646 6.0646 6.6232 6.6232 6.9399 6.9399 8.5194 8.5194 8.7873 8.7873 9.1964 9.1964 9.5529 9.5529 k = 0.1364-0.2453-0.1480 ( 5094 PWs) bands (ev): -42.8218 -42.8218 -21.7664 -21.7664 -21.2593 -21.2593 -21.2570 -21.2570 -5.0822 -5.0822 -5.0564 -5.0564 -4.1393 -4.1393 -3.3461 -3.3461 -2.9153 -2.9153 -2.8675 -2.8675 -2.8185 -2.8185 0.8325 0.8325 4.6415 4.6415 5.0449 5.0449 5.5850 5.5850 6.0697 6.0697 6.5884 6.5884 6.8897 6.8897 8.5086 8.5086 8.8234 8.8234 9.1628 9.1628 9.5707 9.5707 k = 0.1477-0.2657-0.1603 ( 5096 PWs) bands (ev): -42.8218 -42.8218 -21.7666 -21.7666 -21.2597 -21.2597 -21.2571 -21.2571 -5.0822 -5.0822 -5.0567 -5.0567 -4.1164 -4.1164 -3.3442 -3.3442 -2.9139 -2.9139 -2.8668 -2.8668 -2.8103 -2.8103 0.8614 0.8614 4.5766 4.5766 4.9867 4.9867 5.5757 5.5757 6.0703 6.0703 6.5518 6.5518 6.8412 6.8412 8.4962 8.4962 8.8588 8.8588 9.1211 9.1211 9.6034 9.6034 k = 0.1591-0.2862-0.1726 ( 5104 PWs) bands (ev): -42.8217 -42.8217 -21.7669 -21.7669 -21.2602 -21.2602 -21.2572 -21.2572 -5.0822 -5.0822 -5.0570 -5.0570 -4.0919 -4.0919 -3.3419 -3.3419 -2.9127 -2.9127 -2.8660 -2.8660 -2.8016 -2.8016 0.8921 0.8921 4.5126 4.5126 4.9227 4.9227 5.5665 5.5665 6.0669 6.0669 6.5130 6.5130 6.7942 6.7942 8.4823 8.4823 8.8930 8.8930 9.0803 9.0803 9.6407 9.6407 k = 0.1705-0.3066-0.1850 ( 5103 PWs) bands (ev): -42.8217 -42.8217 -21.7672 -21.7672 -21.2608 -21.2608 -21.2573 -21.2573 -5.0823 -5.0823 -5.0573 -5.0573 -4.0659 -4.0659 -3.3395 -3.3395 -2.9115 -2.9115 -2.8651 -2.8651 -2.7924 -2.7924 0.9243 0.9243 4.4500 4.4500 4.8533 4.8533 5.5575 5.5575 6.0602 6.0602 6.4716 6.4716 6.7487 6.7487 8.4672 8.4672 8.9252 8.9252 9.0451 9.0451 9.6759 9.6759 k = 0.1818-0.3271-0.1973 ( 5106 PWs) bands (ev): -42.8216 -42.8216 -21.7674 -21.7674 -21.2613 -21.2613 -21.2573 -21.2573 -5.0824 -5.0824 -5.0576 -5.0576 -4.0386 -4.0386 -3.3367 -3.3367 -2.9104 -2.9104 -2.8641 -2.8641 -2.7829 -2.7829 0.9581 0.9581 4.3889 4.3889 4.7790 4.7790 5.5487 5.5487 6.0500 6.0500 6.4280 6.4280 6.7045 6.7045 8.4511 8.4511 8.9537 8.9537 9.0187 9.0187 9.7031 9.7031 k = 0.1932-0.3475-0.2096 ( 5113 PWs) bands (ev): -42.8216 -42.8216 -21.7677 -21.7677 -21.2619 -21.2619 -21.2573 -21.2573 -5.0825 -5.0825 -5.0578 -5.0578 -4.0100 -4.0100 -3.3337 -3.3337 -2.9094 -2.9094 -2.8630 -2.8630 -2.7732 -2.7732 0.9931 0.9931 4.3297 4.3297 4.7005 4.7005 5.5401 5.5401 6.0360 6.0360 6.3827 6.3827 6.6620 6.6620 8.4344 8.4344 8.9706 8.9706 9.0093 9.0093 9.7181 9.7181 k = 0.2045-0.3679-0.2220 ( 5112 PWs) bands (ev): -42.8215 -42.8215 -21.7680 -21.7680 -21.2626 -21.2626 -21.2573 -21.2573 -5.0827 -5.0827 -5.0581 -5.0581 -3.9803 -3.9803 -3.3304 -3.3304 -2.9085 -2.9085 -2.8618 -2.8618 -2.7632 -2.7632 1.0293 1.0293 4.2726 4.2726 4.6186 4.6186 5.5317 5.5317 6.0171 6.0171 6.3367 6.3367 6.6217 6.6217 8.4171 8.4171 8.9674 8.9674 9.0245 9.0245 9.7199 9.7199 k = 0.2159-0.3884-0.2343 ( 5108 PWs) bands (ev): -42.8215 -42.8215 -21.7683 -21.7683 -21.2632 -21.2632 -21.2573 -21.2573 -5.0829 -5.0829 -5.0583 -5.0583 -3.9495 -3.9495 -3.3268 -3.3268 -2.9078 -2.9078 -2.8605 -2.8605 -2.7530 -2.7530 1.0664 1.0664 4.2176 4.2176 4.5343 4.5343 5.5231 5.5231 5.9919 5.9919 6.2915 6.2915 6.5843 6.5843 8.3996 8.3996 8.9613 8.9613 9.0465 9.0465 9.7113 9.7113 k = 0.2273-0.4088-0.2466 ( 5114 PWs) bands (ev): -42.8214 -42.8214 -21.7686 -21.7686 -21.2639 -21.2639 -21.2573 -21.2573 -5.0832 -5.0832 -5.0585 -5.0585 -3.9178 -3.9178 -3.3229 -3.3229 -2.9071 -2.9071 -2.8591 -2.8591 -2.7427 -2.7427 1.1041 1.1041 4.1647 4.1647 4.4487 4.4487 5.5142 5.5142 5.9589 5.9589 6.2488 6.2488 6.5508 6.5508 8.3820 8.3820 8.9587 8.9587 9.0677 9.0677 9.6961 9.6961 k = 0.2386-0.4293-0.2590 ( 5106 PWs) bands (ev): -42.8214 -42.8214 -21.7689 -21.7689 -21.2645 -21.2645 -21.2573 -21.2573 -5.0834 -5.0834 -5.0587 -5.0587 -3.8854 -3.8854 -3.3187 -3.3187 -2.9065 -2.9065 -2.8576 -2.8576 -2.7323 -2.7323 1.1424 1.1424 4.1137 4.1137 4.3629 4.3629 5.5048 5.5048 5.9170 5.9170 6.2099 6.2099 6.5217 6.5217 8.3642 8.3642 8.9598 8.9598 9.0867 9.0867 9.6774 9.6774 k = 0.2500-0.4497-0.2713 ( 5109 PWs) bands (ev): -42.8213 -42.8213 -21.7692 -21.7692 -21.2652 -21.2652 -21.2573 -21.2573 -5.0837 -5.0837 -5.0589 -5.0589 -3.8524 -3.8524 -3.3142 -3.3142 -2.9061 -2.9061 -2.8561 -2.8561 -2.7219 -2.7219 1.1808 1.1808 4.0639 4.0639 4.2786 4.2786 5.4944 5.4944 5.8667 5.8667 6.1750 6.1750 6.4977 6.4977 8.3465 8.3465 8.9637 8.9637 9.1034 9.1034 9.6569 9.6569 k = 0.2614-0.4702-0.2836 ( 5116 PWs) bands (ev): -42.8213 -42.8213 -21.7696 -21.7696 -21.2659 -21.2659 -21.2573 -21.2573 -5.0841 -5.0841 -5.0590 -5.0590 -3.8189 -3.8189 -3.3094 -3.3094 -2.9057 -2.9057 -2.8546 -2.8546 -2.7116 -2.7116 1.2193 1.2193 4.0137 4.0137 4.1981 4.1981 5.4823 5.4823 5.8096 5.8096 6.1436 6.1436 6.4789 6.4789 8.3286 8.3286 8.9697 8.9697 9.1177 9.1177 9.6354 9.6354 k = 0.2727-0.4906-0.2959 ( 5108 PWs) bands (ev): -42.8212 -42.8212 -21.7699 -21.7699 -21.2666 -21.2666 -21.2573 -21.2573 -5.0845 -5.0845 -5.0590 -5.0590 -3.7852 -3.7852 -3.3042 -3.3042 -2.9054 -2.9054 -2.8531 -2.8531 -2.7013 -2.7013 1.2574 1.2574 3.9603 3.9603 4.1250 4.1250 5.4676 5.4676 5.7485 5.7485 6.1149 6.1149 6.4653 6.4653 8.3107 8.3107 8.9768 8.9768 9.1297 9.1297 9.6132 9.6132 k = 0.2841-0.5110-0.3083 ( 5104 PWs) bands (ev): -42.8212 -42.8212 -21.7702 -21.7702 -21.2672 -21.2672 -21.2572 -21.2572 -5.0849 -5.0849 -5.0591 -5.0591 -3.7514 -3.7514 -3.2987 -3.2987 -2.9051 -2.9051 -2.8515 -2.8515 -2.6912 -2.6912 1.2950 1.2950 3.9004 3.9004 4.0636 4.0636 5.4483 5.4483 5.6871 5.6871 6.0880 6.0880 6.4564 6.4564 8.2926 8.2926 8.9842 8.9842 9.1396 9.1396 9.5904 9.5904 k = 0.2955-0.5315-0.3206 ( 5101 PWs) bands (ev): -42.8211 -42.8211 -21.7705 -21.7705 -21.2679 -21.2679 -21.2572 -21.2572 -5.0853 -5.0853 -5.0591 -5.0591 -3.7179 -3.7179 -3.2928 -3.2928 -2.9050 -2.9050 -2.8500 -2.8500 -2.6812 -2.6812 1.3317 1.3317 3.8323 3.8323 4.0161 4.0161 5.4214 5.4214 5.6300 5.6300 6.0624 6.0624 6.4518 6.4518 8.2743 8.2743 8.9910 8.9910 9.1476 9.1476 9.5668 9.5668 k = 0.3068-0.5519-0.3329 ( 5103 PWs) bands (ev): -42.8211 -42.8211 -21.7708 -21.7708 -21.2685 -21.2685 -21.2572 -21.2572 -5.0858 -5.0858 -5.0591 -5.0591 -3.6848 -3.6848 -3.2865 -3.2865 -2.9048 -2.9048 -2.8486 -2.8486 -2.6715 -2.6715 1.3674 1.3674 3.7582 3.7582 3.9809 3.9809 5.3831 5.3831 5.5821 5.5821 6.0381 6.0381 6.4508 6.4508 8.2559 8.2559 8.9965 8.9965 9.1541 9.1541 9.5422 9.5422 k = 0.3182-0.5724-0.3453 ( 5110 PWs) bands (ev): -42.8210 -42.8210 -21.7711 -21.7711 -21.2692 -21.2692 -21.2572 -21.2572 -5.0862 -5.0862 -5.0591 -5.0591 -3.6523 -3.6523 -3.2798 -3.2798 -2.9048 -2.9048 -2.8473 -2.8473 -2.6622 -2.6622 1.4016 1.4016 3.6814 3.6814 3.9554 3.9554 5.3319 5.3319 5.5460 5.5460 6.0150 6.0150 6.4527 6.4527 8.2374 8.2374 8.9999 8.9999 9.1593 9.1593 9.5165 9.5165 k = 0.3295-0.5928-0.3576 ( 5120 PWs) bands (ev): -42.8210 -42.8210 -21.7714 -21.7714 -21.2698 -21.2698 -21.2572 -21.2572 -5.0867 -5.0867 -5.0591 -5.0591 -3.6209 -3.6209 -3.2725 -3.2725 -2.9048 -2.9048 -2.8460 -2.8460 -2.6531 -2.6531 1.4343 1.4343 3.6044 3.6044 3.9378 3.9378 5.2703 5.2703 5.5200 5.5200 5.9932 5.9932 6.4570 6.4570 8.2187 8.2187 9.0004 9.0004 9.1636 9.1636 9.4896 9.4896 k = 0.3409-0.6132-0.3699 ( 5117 PWs) bands (ev): -42.8209 -42.8209 -21.7716 -21.7716 -21.2704 -21.2704 -21.2571 -21.2571 -5.0872 -5.0872 -5.0590 -5.0590 -3.5907 -3.5907 -3.2647 -3.2647 -2.9048 -2.9048 -2.8449 -2.8449 -2.6444 -2.6444 1.4652 1.4652 3.5288 3.5288 3.9269 3.9269 5.2025 5.2025 5.5006 5.5006 5.9728 5.9728 6.4632 6.4632 8.2000 8.2000 8.9972 8.9972 9.1670 9.1670 9.4617 9.4617 k = 0.3523-0.6337-0.3823 ( 5124 PWs) bands (ev): -42.8209 -42.8209 -21.7719 -21.7719 -21.2710 -21.2710 -21.2571 -21.2571 -5.0876 -5.0876 -5.0590 -5.0590 -3.5620 -3.5620 -3.2563 -3.2563 -2.9049 -2.9049 -2.8439 -2.8439 -2.6361 -2.6361 1.4940 1.4940 3.4555 3.4555 3.9221 3.9221 5.1316 5.1316 5.4850 5.4850 5.9539 5.9539 6.4707 6.4707 8.1813 8.1813 8.9896 8.9896 9.1697 9.1697 9.4335 9.4335 k = 0.3636-0.6541-0.3946 ( 5130 PWs) bands (ev): -42.8208 -42.8208 -21.7722 -21.7722 -21.2715 -21.2715 -21.2571 -21.2571 -5.0881 -5.0881 -5.0589 -5.0589 -3.5352 -3.5352 -3.2472 -3.2472 -2.9050 -2.9050 -2.8430 -2.8430 -2.6283 -2.6283 1.5207 1.5207 3.3854 3.3854 3.9230 3.9230 5.0596 5.0596 5.4717 5.4717 5.9366 5.9366 6.4793 6.4793 8.1628 8.1628 8.9771 8.9771 9.1717 9.1717 9.4060 9.4060 k = 0.3750-0.6746-0.4069 ( 5125 PWs) bands (ev): -42.8208 -42.8208 -21.7724 -21.7724 -21.2720 -21.2720 -21.2571 -21.2571 -5.0885 -5.0885 -5.0588 -5.0588 -3.5105 -3.5105 -3.2375 -3.2375 -2.9051 -2.9051 -2.8423 -2.8423 -2.6210 -2.6210 1.5452 1.5452 3.3190 3.3190 3.9295 3.9295 4.9878 4.9878 5.4600 5.4600 5.9209 5.9209 6.4885 6.4885 8.1446 8.1446 8.9592 8.9592 9.1728 9.1728 9.3803 9.3803 k = 0.3864-0.6950-0.4193 ( 5129 PWs) bands (ev): -42.8208 -42.8208 -21.7726 -21.7726 -21.2725 -21.2725 -21.2571 -21.2571 -5.0889 -5.0889 -5.0588 -5.0588 -3.4882 -3.4882 -3.2272 -3.2272 -2.9052 -2.9052 -2.8418 -2.8418 -2.6142 -2.6142 1.5673 1.5673 3.2567 3.2567 3.9412 3.9412 4.9167 4.9167 5.4493 5.4493 5.9069 5.9069 6.4979 6.4979 8.1268 8.1268 8.9362 8.9362 9.1731 9.1731 9.3578 9.3578 k = 0.3977-0.7155-0.4316 ( 5128 PWs) bands (ev): -42.8207 -42.8207 -21.7728 -21.7728 -21.2729 -21.2729 -21.2570 -21.2570 -5.0893 -5.0893 -5.0587 -5.0587 -3.4683 -3.4683 -3.2164 -3.2164 -2.9054 -2.9054 -2.8414 -2.8414 -2.6079 -2.6079 1.5871 1.5871 3.1991 3.1991 3.9579 3.9579 4.8469 4.8469 5.4396 5.4396 5.8944 5.8944 6.5075 6.5075 8.1096 8.1096 8.9087 8.9087 9.1725 9.1725 9.3391 9.3391 k = 0.4091-0.7359-0.4439 ( 5130 PWs) bands (ev): -42.8207 -42.8207 -21.7730 -21.7730 -21.2733 -21.2733 -21.2570 -21.2570 -5.0896 -5.0896 -5.0586 -5.0586 -3.4510 -3.4510 -3.2052 -3.2052 -2.9056 -2.9056 -2.8412 -2.8412 -2.6023 -2.6023 1.6045 1.6045 3.1465 3.1465 3.9794 3.9794 4.7786 4.7786 5.4308 5.4308 5.8834 5.8834 6.5167 6.5167 8.0933 8.0933 8.8782 8.8782 9.1712 9.1712 9.3245 9.3245 k = 0.4205-0.7563-0.4563 ( 5128 PWs) bands (ev): -42.8207 -42.8207 -21.7732 -21.7732 -21.2736 -21.2736 -21.2570 -21.2570 -5.0899 -5.0899 -5.0585 -5.0585 -3.4362 -3.4362 -3.1941 -3.1941 -2.9058 -2.9058 -2.8411 -2.8411 -2.5972 -2.5972 1.6196 1.6196 3.0993 3.0993 4.0053 4.0053 4.7121 4.7121 5.4228 5.4228 5.8739 5.8739 6.5255 6.5255 8.0781 8.0781 8.8463 8.8463 9.1694 9.1694 9.3135 9.3135 k = 0.4318-0.7768-0.4686 ( 5122 PWs) bands (ev): -42.8207 -42.8207 -21.7733 -21.7733 -21.2739 -21.2739 -21.2570 -21.2570 -5.0901 -5.0901 -5.0585 -5.0585 -3.4238 -3.4238 -3.1833 -3.1833 -2.9061 -2.9061 -2.8412 -2.8412 -2.5928 -2.5928 1.6325 1.6325 3.0577 3.0577 4.0353 4.0353 4.6475 4.6475 5.4157 5.4157 5.8659 5.8659 6.5336 6.5336 8.0642 8.0642 8.8149 8.8149 9.1674 9.1674 9.3055 9.3055 k = 0.4432-0.7972-0.4809 ( 5118 PWs) bands (ev): -42.8206 -42.8206 -21.7734 -21.7734 -21.2742 -21.2742 -21.2570 -21.2570 -5.0904 -5.0904 -5.0584 -5.0584 -3.4137 -3.4137 -3.1732 -3.1732 -2.9063 -2.9063 -2.8413 -2.8413 -2.5890 -2.5890 1.6432 1.6432 3.0220 3.0220 4.0690 4.0690 4.5851 4.5851 5.4096 5.4096 5.8592 5.8592 6.5408 6.5408 8.0519 8.0519 8.7857 8.7857 9.1654 9.1654 9.2997 9.2997 k = 0.4545-0.8177-0.4932 ( 5120 PWs) bands (ev): -42.8206 -42.8206 -21.7735 -21.7735 -21.2744 -21.2744 -21.2570 -21.2570 -5.0906 -5.0906 -5.0583 -5.0583 -3.4057 -3.4057 -3.1643 -3.1643 -2.9065 -2.9065 -2.8415 -2.8415 -2.5860 -2.5860 1.6518 1.6518 2.9924 2.9924 4.1061 4.1061 4.5249 4.5249 5.4045 5.4045 5.8538 5.8538 6.5470 6.5470 8.0414 8.0414 8.7601 8.7601 9.1636 9.1636 9.2956 9.2956 k = 0.4659-0.8381-0.5056 ( 5120 PWs) bands (ev): -42.8206 -42.8206 -21.7736 -21.7736 -21.2746 -21.2746 -21.2569 -21.2569 -5.0907 -5.0907 -5.0583 -5.0583 -3.3997 -3.3997 -3.1570 -3.1570 -2.9067 -2.9067 -2.8417 -2.8417 -2.5835 -2.5835 1.6584 1.6584 2.9692 2.9692 4.1458 4.1458 4.4674 4.4674 5.4005 5.4005 5.8497 5.8497 6.5519 6.5519 8.0330 8.0330 8.7391 8.7391 9.1621 9.1621 9.2928 9.2928 k = 0.4773-0.8585-0.5179 ( 5124 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2570 -21.2570 -5.0908 -5.0908 -5.0583 -5.0583 -3.3955 -3.3955 -3.1514 -3.1514 -2.9069 -2.9069 -2.8420 -2.8420 -2.5818 -2.5818 1.6631 1.6631 2.9526 2.9526 4.1871 4.1871 4.4136 4.4136 5.3975 5.3975 5.8467 5.8467 6.5555 6.5555 8.0268 8.0268 8.7236 8.7236 9.1609 9.1609 9.2910 9.2910 k = 0.4886-0.8790-0.5302 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3931 -3.3931 -3.1480 -3.1480 -2.9070 -2.9070 -2.8421 -2.8421 -2.5808 -2.5808 1.6659 1.6659 2.9425 2.9425 4.2263 4.2263 4.3670 4.3670 5.3958 5.3958 5.8450 5.8450 6.5577 6.5577 8.0230 8.0230 8.7141 8.7141 9.1602 9.1602 9.2900 9.2900 k = 0.5000-0.8994-0.5426 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3922 -3.3922 -3.1469 -3.1469 -2.9071 -2.9071 -2.8421 -2.8421 -2.5804 -2.5804 1.6668 1.6668 2.9391 2.9391 4.2473 4.2473 4.3435 4.3435 5.3952 5.3952 5.8444 5.8444 6.5585 6.5585 8.0217 8.0217 8.7108 8.7108 9.1600 9.1600 9.2896 9.2896 k = 0.5000-0.8994-0.5426 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3922 -3.3922 -3.1469 -3.1469 -2.9071 -2.9071 -2.8421 -2.8421 -2.5804 -2.5804 1.6668 1.6668 2.9391 2.9391 4.2473 4.2473 4.3435 4.3435 5.3952 5.3952 5.8444 5.8444 6.5585 6.5585 8.0217 8.0217 8.7108 8.7108 9.1600 9.1600 9.2896 9.2896 k = 0.5000-0.8861-0.5647 ( 5128 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0909 -5.0909 -5.0583 -5.0583 -3.3920 -3.3920 -3.1472 -3.1472 -2.9065 -2.9065 -2.8420 -2.8420 -2.5805 -2.5805 1.6671 1.6671 2.9405 2.9405 4.2478 4.2478 4.3439 4.3439 5.3926 5.3926 5.8382 5.8382 6.5543 6.5543 8.0258 8.0258 8.7122 8.7122 9.1609 9.1609 9.2896 9.2896 k = 0.5000-0.8727-0.5869 ( 5120 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0907 -5.0907 -5.0584 -5.0584 -3.3911 -3.3911 -3.1480 -3.1480 -2.9048 -2.9048 -2.8414 -2.8414 -2.5807 -2.5807 1.6681 1.6681 2.9447 2.9447 4.2493 4.2493 4.3451 4.3451 5.3851 5.3851 5.8199 5.8199 6.5421 6.5421 8.0376 8.0376 8.7161 8.7161 9.1637 9.1637 9.2895 9.2895 k = 0.5000-0.8593-0.6091 ( 5122 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0906 -5.0906 -5.0585 -5.0585 -3.3897 -3.3897 -3.1494 -3.1494 -2.9022 -2.9022 -2.8405 -2.8405 -2.5810 -2.5810 1.6697 1.6697 2.9517 2.9517 4.2517 4.2517 4.3470 4.3470 5.3725 5.3725 5.7902 5.7902 6.5226 6.5226 8.0563 8.0563 8.7222 8.7222 9.1680 9.1680 9.2891 9.2891 k = 0.5000-0.8459-0.6312 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2748 -21.2748 -21.2571 -21.2571 -5.0903 -5.0903 -5.0587 -5.0587 -3.3878 -3.3878 -3.1513 -3.1513 -2.8987 -2.8987 -2.8391 -2.8391 -2.5815 -2.5815 1.6719 1.6719 2.9615 2.9615 4.2550 4.2550 4.3495 4.3495 5.3549 5.3549 5.7504 5.7504 6.4968 6.4968 8.0807 8.0807 8.7302 8.7302 9.1736 9.1736 9.2879 9.2879 k = 0.5000-0.8326-0.6534 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2747 -21.2747 -21.2572 -21.2572 -5.0900 -5.0900 -5.0590 -5.0590 -3.3853 -3.3853 -3.1536 -3.1536 -2.8945 -2.8945 -2.8371 -2.8371 -2.5820 -2.5820 1.6747 1.6747 2.9740 2.9740 4.2589 4.2589 4.3525 4.3525 5.3324 5.3324 5.7021 5.7021 6.4658 6.4658 8.1095 8.1095 8.7395 8.7395 9.1800 9.1800 9.2857 9.2857 k = 0.5000-0.8192-0.6756 ( 5128 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2747 -21.2747 -21.2573 -21.2573 -5.0896 -5.0896 -5.0593 -5.0593 -3.3823 -3.3823 -3.1564 -3.1564 -2.8899 -2.8899 -2.8343 -2.8343 -2.5828 -2.5828 1.6781 1.6781 2.9892 2.9892 4.2633 4.2633 4.3559 4.3559 5.3052 5.3052 5.6472 5.6472 6.4309 6.4309 8.1415 8.1415 8.7495 8.7495 9.1867 9.1867 9.2821 9.2821 k = 0.5000-0.8058-0.6978 ( 5132 PWs) bands (ev): -42.8206 -42.8206 -21.7739 -21.7739 -21.2747 -21.2747 -21.2575 -21.2575 -5.0891 -5.0891 -5.0597 -5.0597 -3.3789 -3.3789 -3.1594 -3.1594 -2.8853 -2.8853 -2.8305 -2.8305 -2.5837 -2.5837 1.6819 1.6819 3.0072 3.0072 4.2678 4.2678 4.3595 4.3595 5.2732 5.2732 5.5878 5.5878 6.3929 6.3929 8.1757 8.1757 8.7597 8.7597 9.1931 9.1931 9.2772 9.2772 k = 0.5000-0.7924-0.7199 ( 5138 PWs) bands (ev): -42.8205 -42.8205 -21.7739 -21.7739 -21.2747 -21.2747 -21.2576 -21.2576 -5.0886 -5.0886 -5.0601 -5.0601 -3.3749 -3.3749 -3.1628 -3.1628 -2.8810 -2.8810 -2.8255 -2.8255 -2.5847 -2.5847 1.6862 1.6862 3.0278 3.0278 4.2718 4.2718 4.3631 4.3631 5.2367 5.2367 5.5261 5.5261 6.3528 6.3528 8.2111 8.2111 8.7696 8.7696 9.1989 9.1989 9.2709 9.2709 k = 0.5000-0.7791-0.7421 ( 5142 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2746 -21.2746 -21.2578 -21.2578 -5.0880 -5.0880 -5.0606 -5.0606 -3.3704 -3.3704 -3.1663 -3.1663 -2.8771 -2.8771 -2.8191 -2.8191 -2.5859 -2.5859 1.6908 1.6908 3.0511 3.0511 4.2745 4.2745 4.3668 4.3668 5.1961 5.1961 5.4643 5.4643 6.3115 6.3115 8.2473 8.2473 8.7786 8.7786 9.2036 9.2036 9.2635 9.2635 k = 0.5000-0.7657-0.7643 ( 5144 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2746 -21.2746 -21.2579 -21.2579 -5.0874 -5.0874 -5.0611 -5.0611 -3.3656 -3.3656 -3.1701 -3.1701 -2.8739 -2.8739 -2.8114 -2.8114 -2.5873 -2.5873 1.6958 1.6958 3.0770 3.0770 4.2747 4.2747 4.3706 4.3706 5.1521 5.1521 5.4044 5.4044 6.2695 6.2695 8.2838 8.2838 8.7863 8.7863 9.2067 9.2067 9.2555 9.2555 k = 0.5000-0.7523-0.7864 ( 5146 PWs) bands (ev): -42.8205 -42.8205 -21.7741 -21.7741 -21.2746 -21.2746 -21.2581 -21.2581 -5.0867 -5.0867 -5.0617 -5.0617 -3.3603 -3.3603 -3.1740 -3.1740 -2.8713 -2.8713 -2.8024 -2.8024 -2.5888 -2.5888 1.7010 1.7010 3.1054 3.1054 4.2710 4.2710 4.3748 4.3748 5.1058 5.1058 5.3480 5.3480 6.2272 6.2272 8.3203 8.3203 8.7925 8.7925 9.2075 9.2075 9.2476 9.2476 k = 0.5000-0.7389-0.8086 ( 5146 PWs) bands (ev): -42.8205 -42.8205 -21.7741 -21.7741 -21.2745 -21.2745 -21.2583 -21.2583 -5.0860 -5.0860 -5.0622 -5.0622 -3.3546 -3.3546 -3.1781 -3.1781 -2.8692 -2.8692 -2.7924 -2.7924 -2.5905 -2.5905 1.7063 1.7063 3.1363 3.1363 4.2617 4.2617 4.3797 4.3797 5.0590 5.0590 5.2963 5.2963 6.1852 6.1852 8.3568 8.3568 8.7966 8.7966 9.2052 9.2052 9.2410 9.2410 k = 0.5000-0.7256-0.8308 ( 5146 PWs) bands (ev): -42.8205 -42.8205 -21.7742 -21.7742 -21.2745 -21.2745 -21.2585 -21.2585 -5.0852 -5.0852 -5.0629 -5.0629 -3.3486 -3.3486 -3.1823 -3.1823 -2.8676 -2.8676 -2.7815 -2.7815 -2.5925 -2.5925 1.7116 1.7116 3.1696 3.1696 4.2453 4.2453 4.3853 4.3853 5.0136 5.0136 5.2501 5.2501 6.1436 6.1436 8.3930 8.3930 8.7985 8.7985 9.1993 9.1993 9.2367 9.2367 k = 0.5000-0.7122-0.8530 ( 5142 PWs) bands (ev): -42.8205 -42.8205 -21.7742 -21.7742 -21.2745 -21.2745 -21.2586 -21.2586 -5.0844 -5.0844 -5.0635 -5.0635 -3.3423 -3.3423 -3.1866 -3.1866 -2.8664 -2.8664 -2.7699 -2.7699 -2.5946 -2.5946 1.7168 1.7168 3.2053 3.2053 4.2211 4.2211 4.3912 4.3912 4.9717 4.9717 5.2098 5.2098 6.1027 6.1027 8.4287 8.4287 8.7978 8.7978 9.1902 9.1902 9.2346 9.2346 k = 0.5000-0.6988-0.8751 ( 5142 PWs) bands (ev): -42.8205 -42.8205 -21.7743 -21.7743 -21.2745 -21.2745 -21.2588 -21.2588 -5.0836 -5.0836 -5.0642 -5.0642 -3.3358 -3.3358 -3.1909 -3.1909 -2.8654 -2.8654 -2.7580 -2.7580 -2.5970 -2.5970 1.7217 1.7217 3.2432 3.2432 4.1886 4.1886 4.3968 4.3968 4.9351 4.9351 5.1759 5.1759 6.0627 6.0627 8.4636 8.4636 8.7945 8.7945 9.1790 9.1790 9.2341 9.2341 k = 0.5000-0.6854-0.8973 ( 5142 PWs) bands (ev): -42.8205 -42.8205 -21.7744 -21.7744 -21.2745 -21.2745 -21.2590 -21.2590 -5.0828 -5.0828 -5.0649 -5.0649 -3.3290 -3.3290 -3.1954 -3.1954 -2.8646 -2.8646 -2.7458 -2.7458 -2.5997 -2.5997 1.7264 1.7264 3.2833 3.2833 4.1484 4.1484 4.4013 4.4013 4.9049 4.9049 5.1484 5.1484 6.0236 6.0236 8.4973 8.4973 8.7888 8.7888 9.1665 9.1665 9.2347 9.2347 k = 0.5000-0.6721-0.9195 ( 5140 PWs) bands (ev): -42.8204 -42.8204 -21.7744 -21.7744 -21.2744 -21.2744 -21.2591 -21.2591 -5.0820 -5.0820 -5.0657 -5.0657 -3.3221 -3.3221 -3.2000 -3.2000 -2.8639 -2.8639 -2.7335 -2.7335 -2.6026 -2.6026 1.7305 1.7305 3.3254 3.3254 4.1016 4.1016 4.4039 4.4039 4.8818 4.8818 5.1275 5.1275 5.9855 5.9855 8.5290 8.5290 8.7814 8.7814 9.1532 9.1532 9.2365 9.2365 k = 0.5000-0.6587-0.9416 ( 5140 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2744 -21.2744 -21.2593 -21.2593 -5.0811 -5.0811 -5.0664 -5.0664 -3.3151 -3.3151 -3.2046 -3.2046 -2.8634 -2.8634 -2.7214 -2.7214 -2.6058 -2.6058 1.7340 1.7340 3.3695 3.3695 4.0496 4.0496 4.4040 4.4040 4.8663 4.8663 5.1128 5.1128 5.9485 5.9485 8.5571 8.5571 8.7737 8.7737 9.1391 9.1391 9.2394 9.2394 k = 0.5000-0.6453-0.9638 ( 5138 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2744 -21.2744 -21.2594 -21.2594 -5.0803 -5.0803 -5.0672 -5.0672 -3.3080 -3.3080 -3.2092 -3.2092 -2.8629 -2.8629 -2.7094 -2.7094 -2.6093 -2.6093 1.7368 1.7368 3.4152 3.4152 3.9942 3.9942 4.4012 4.4012 4.8581 4.8581 5.1039 5.1039 5.9127 5.9127 8.5792 8.5792 8.7683 8.7683 9.1244 9.1244 9.2434 9.2434 k = 0.5000-0.6319-0.9860 ( 5148 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2595 -21.2595 -5.0795 -5.0795 -5.0679 -5.0679 -3.3011 -3.3011 -3.2140 -3.2140 -2.8626 -2.8626 -2.6979 -2.6979 -2.6131 -2.6131 1.7386 1.7386 3.4623 3.4623 3.9372 3.9372 4.3956 4.3956 4.8572 4.8572 5.0999 5.0999 5.8780 5.8780 8.5919 8.5919 8.7688 8.7688 9.1091 9.1091 9.2483 9.2483 k = 0.5000-0.6186-1.0081 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2596 -21.2596 -5.0787 -5.0787 -5.0687 -5.0687 -3.2943 -3.2943 -3.2186 -3.2186 -2.8623 -2.8623 -2.6869 -2.6869 -2.6171 -2.6171 1.7395 1.7395 3.5103 3.5103 3.8805 3.8805 4.3878 4.3878 4.8630 4.8630 5.0999 5.0999 5.8445 5.8445 8.5929 8.5929 8.7777 8.7777 9.0936 9.0936 9.2540 9.2540 k = 0.5000-0.6052-1.0303 ( 5140 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2745 -21.2745 -21.2597 -21.2597 -5.0780 -5.0780 -5.0693 -5.0693 -3.2880 -3.2880 -3.2231 -3.2231 -2.8620 -2.8620 -2.6767 -2.6767 -2.6215 -2.6215 1.7392 1.7392 3.5579 3.5579 3.8264 3.8264 4.3787 4.3787 4.8748 4.8748 5.1030 5.1030 5.8123 5.8123 8.5831 8.5831 8.7940 8.7940 9.0783 9.0783 9.2600 9.2600 k = 0.5000-0.5918-1.0525 ( 5140 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0774 -5.0774 -5.0699 -5.0699 -3.2823 -3.2823 -3.2273 -3.2273 -2.8619 -2.8619 -2.6673 -2.6673 -2.6261 -2.6261 1.7378 1.7378 3.6016 3.6016 3.7793 3.7793 4.3693 4.3693 4.8916 4.8916 5.1083 5.1083 5.7815 5.7815 8.5657 8.5657 8.8141 8.8141 9.0644 9.0644 9.2660 9.2660 k = 0.5000-0.5785-1.0747 ( 5140 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0769 -5.0769 -5.0704 -5.0704 -3.2777 -3.2777 -3.2308 -3.2308 -2.8617 -2.8617 -2.6592 -2.6592 -2.6307 -2.6307 1.7350 1.7350 3.6283 3.6283 3.7531 3.7531 4.3608 4.3608 4.9127 4.9127 5.1148 5.1148 5.7520 5.7520 8.5441 8.5441 8.8339 8.8339 9.0535 9.0535 9.2714 9.2714 k = 0.5000-0.5651-1.0968 ( 5142 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0767 -5.0767 -5.0706 -5.0706 -3.2750 -3.2750 -3.2330 -3.2330 -2.8617 -2.8617 -2.6533 -2.6533 -2.6345 -2.6345 1.7309 1.7309 3.6172 3.6172 3.7692 3.7692 4.3540 4.3540 4.9371 4.9371 5.1218 5.1218 5.7241 5.7241 8.5206 8.5206 8.8495 8.8495 9.0479 9.0479 9.2755 9.2755 k = 0.5000-0.5517-1.1190 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0767 -5.0767 -5.0707 -5.0707 -3.2746 -3.2746 -3.2333 -3.2333 -2.8617 -2.8617 -2.6518 -2.6518 -2.6354 -2.6354 1.7255 1.7255 3.5834 3.5834 3.8127 3.8127 4.3499 4.3499 4.9640 4.9640 5.1289 5.1289 5.6978 5.6978 8.4967 8.4967 8.8578 8.8578 9.0500 9.0500 9.2776 9.2776 k = 0.5000-0.5383-1.1412 ( 5144 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0769 -5.0769 -5.0705 -5.0705 -3.2769 -3.2769 -3.2316 -3.2316 -2.8617 -2.8617 -2.6554 -2.6554 -2.6328 -2.6328 1.7186 1.7186 3.5460 3.5460 3.8650 3.8650 4.3492 4.3492 4.9923 4.9923 5.1357 5.1357 5.6734 5.6734 8.4738 8.4738 8.8577 8.8577 9.0606 9.0606 9.2770 9.2770 k = 0.5000-0.5250-1.1633 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0773 -5.0773 -5.0701 -5.0701 -3.2814 -3.2814 -3.2286 -3.2286 -2.8618 -2.8618 -2.6614 -2.6614 -2.6294 -2.6294 1.7105 1.7105 3.5107 3.5107 3.9206 3.9206 4.3523 4.3523 5.0208 5.0208 5.1423 5.1423 5.6511 5.6511 8.4528 8.4528 8.8508 8.8508 9.0782 9.0782 9.2729 9.2729 k = 0.8181-0.4425-1.0069 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0773 -5.0773 -5.0701 -5.0701 -3.2814 -3.2814 -3.2286 -3.2286 -2.8618 -2.8618 -2.6614 -2.6614 -2.6294 -2.6294 1.7105 1.7105 3.5107 3.5107 3.9206 3.9206 4.3523 4.3523 5.0208 5.0208 5.1423 5.1423 5.6511 5.6511 8.4528 8.4528 8.8508 8.8508 9.0782 9.0782 9.2729 9.2729 k = 0.8114-0.4306-0.9843 ( 5138 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2597 -21.2597 -5.0778 -5.0778 -5.0696 -5.0696 -3.2877 -3.2877 -3.2246 -3.2246 -2.8620 -2.8620 -2.6687 -2.6687 -2.6266 -2.6266 1.7010 1.7010 3.4787 3.4787 3.9788 3.9788 4.3598 4.3598 5.0480 5.0480 5.1500 5.1500 5.6308 5.6308 8.4341 8.4341 8.8395 8.8395 9.1003 9.1003 9.2648 9.2648 k = 0.8048-0.4187-0.9617 ( 5144 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2596 -21.2596 -5.0784 -5.0784 -5.0691 -5.0691 -3.2952 -3.2952 -3.2205 -3.2205 -2.8622 -2.8622 -2.6767 -2.6767 -2.6249 -2.6249 1.6902 1.6902 3.4517 3.4517 4.0376 4.0376 4.3720 4.3720 5.0699 5.0699 5.1608 5.1608 5.6135 5.6135 8.4190 8.4190 8.8263 8.8263 9.1240 9.1240 9.2527 9.2527 k = 0.7982-0.4067-0.9391 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2743 -21.2743 -21.2596 -21.2596 -5.0790 -5.0790 -5.0685 -5.0685 -3.3036 -3.3036 -3.2165 -3.2165 -2.8626 -2.8626 -2.6852 -2.6852 -2.6244 -2.6244 1.6784 1.6784 3.4302 3.4302 4.0964 4.0964 4.3890 4.3890 5.0831 5.0831 5.1772 5.1772 5.5999 5.5999 8.4078 8.4078 8.8133 8.8133 9.1464 9.1464 9.2379 9.2379 k = 0.7915-0.3948-0.9165 ( 5146 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2742 -21.2742 -21.2595 -21.2595 -5.0796 -5.0796 -5.0679 -5.0679 -3.3130 -3.3130 -3.2129 -3.2129 -2.8630 -2.8630 -2.6943 -2.6943 -2.6252 -2.6252 1.6657 1.6657 3.4146 3.4146 4.1549 4.1549 4.4109 4.4109 5.0872 5.0872 5.1983 5.1983 5.5909 5.5909 8.4012 8.4012 8.8015 8.8015 9.1627 9.1627 9.2253 9.2253 k = 0.7849-0.3829-0.8939 ( 5150 PWs) bands (ev): -42.8205 -42.8205 -21.7744 -21.7744 -21.2741 -21.2741 -21.2594 -21.2594 -5.0803 -5.0803 -5.0674 -5.0674 -3.3233 -3.3233 -3.2098 -3.2098 -2.8635 -2.8635 -2.7038 -2.7038 -2.6273 -2.6273 1.6523 1.6523 3.4049 3.4049 4.2123 4.2123 4.4374 4.4374 5.0846 5.0846 5.2204 5.2204 5.5880 5.5880 8.3992 8.3992 8.7917 8.7917 9.1625 9.1625 9.2253 9.2253 k = 0.7783-0.3710-0.8713 ( 5148 PWs) bands (ev): -42.8205 -42.8205 -21.7743 -21.7743 -21.2740 -21.2740 -21.2593 -21.2593 -5.0809 -5.0809 -5.0668 -5.0668 -3.3343 -3.3343 -3.2074 -3.2074 -2.8641 -2.8641 -2.7136 -2.7136 -2.6307 -2.6307 1.6382 1.6382 3.4014 3.4014 4.2685 4.2685 4.4684 4.4684 5.0779 5.0779 5.2394 5.2394 5.5927 5.5927 8.4020 8.4020 8.7845 8.7845 9.1463 9.1463 9.2384 9.2384 k = 0.7717-0.3591-0.8487 ( 5148 PWs) bands (ev): -42.8205 -42.8205 -21.7742 -21.7742 -21.2738 -21.2738 -21.2592 -21.2592 -5.0814 -5.0814 -5.0663 -5.0663 -3.3462 -3.3462 -3.2057 -3.2057 -2.8648 -2.8648 -2.7238 -2.7238 -2.6352 -2.6352 1.6237 1.6237 3.4040 3.4040 4.3228 4.3228 4.5034 4.5034 5.0689 5.0689 5.2529 5.2529 5.6065 5.6065 8.4096 8.4096 8.7800 8.7800 9.1251 9.1251 9.2547 9.2547 k = 0.7650-0.3471-0.8261 ( 5146 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2736 -21.2736 -21.2591 -21.2591 -5.0820 -5.0820 -5.0658 -5.0658 -3.3590 -3.3590 -3.2049 -3.2049 -2.8657 -2.8657 -2.7342 -2.7342 -2.6408 -2.6408 1.6090 1.6090 3.4129 3.4129 4.3747 4.3747 4.5418 4.5418 5.0590 5.0590 5.2598 5.2598 5.6299 5.6299 8.4216 8.4216 8.7783 8.7783 9.1043 9.1043 9.2698 9.2698 k = 0.7584-0.3352-0.8035 ( 5142 PWs) bands (ev): -42.8205 -42.8205 -21.7739 -21.7739 -21.2734 -21.2734 -21.2590 -21.2590 -5.0825 -5.0825 -5.0653 -5.0653 -3.3727 -3.3727 -3.2051 -3.2051 -2.8666 -2.8666 -2.7447 -2.7447 -2.6474 -2.6474 1.5941 1.5941 3.4279 3.4279 4.4233 4.4233 4.5830 4.5830 5.0497 5.0497 5.2605 5.2605 5.6622 5.6622 8.4375 8.4375 8.7789 8.7789 9.0866 9.0866 9.2826 9.2826 k = 0.7518-0.3233-0.7809 ( 5142 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2731 -21.2731 -21.2589 -21.2589 -5.0830 -5.0830 -5.0648 -5.0648 -3.3874 -3.3874 -3.2064 -3.2064 -2.8676 -2.8676 -2.7553 -2.7553 -2.6549 -2.6549 1.5793 1.5793 3.4490 3.4490 4.4673 4.4673 4.6267 4.6267 5.0424 5.0424 5.2567 5.2567 5.7021 5.7021 8.4567 8.4567 8.7817 8.7817 9.0737 9.0737 9.2922 9.2922 k = 0.7452-0.3114-0.7583 ( 5140 PWs) bands (ev): -42.8206 -42.8206 -21.7735 -21.7735 -21.2728 -21.2728 -21.2588 -21.2588 -5.0834 -5.0834 -5.0643 -5.0643 -3.4030 -3.4030 -3.2089 -3.2089 -2.8687 -2.8687 -2.7658 -2.7658 -2.6632 -2.6632 1.5647 1.5647 3.4759 3.4759 4.5043 4.5043 4.6731 4.6731 5.0385 5.0385 5.2502 5.2502 5.7481 5.7481 8.4782 8.4782 8.7863 8.7863 9.0675 9.0675 9.2985 9.2985 k = 0.7385-0.2995-0.7357 ( 5140 PWs) bands (ev): -42.8206 -42.8206 -21.7733 -21.7733 -21.2725 -21.2725 -21.2587 -21.2587 -5.0838 -5.0838 -5.0639 -5.0639 -3.4197 -3.4197 -3.2125 -3.2125 -2.8700 -2.8700 -2.7762 -2.7762 -2.6721 -2.6721 1.5503 1.5503 3.5085 3.5085 4.5320 4.5320 4.7228 4.7228 5.0393 5.0393 5.2431 5.2431 5.7988 5.7988 8.5008 8.5008 8.7927 8.7927 9.0690 9.0690 9.3013 9.3013 k = 0.7319-0.2875-0.7130 ( 5140 PWs) bands (ev): -42.8207 -42.8207 -21.7731 -21.7731 -21.2721 -21.2721 -21.2586 -21.2586 -5.0841 -5.0841 -5.0635 -5.0635 -3.4373 -3.4373 -3.2175 -3.2175 -2.8714 -2.8714 -2.7862 -2.7862 -2.6815 -2.6815 1.5363 1.5363 3.5464 3.5464 4.5486 4.5486 4.7763 4.7763 5.0452 5.0452 5.2374 5.2374 5.8535 5.8535 8.5226 8.5226 8.8017 8.8017 9.0785 9.0785 9.3007 9.3007 k = 0.7253-0.2756-0.6904 ( 5142 PWs) bands (ev): -42.8207 -42.8207 -21.7729 -21.7729 -21.2717 -21.2717 -21.2585 -21.2585 -5.0844 -5.0844 -5.0632 -5.0632 -3.4560 -3.4560 -3.2238 -3.2238 -2.8729 -2.8729 -2.7958 -2.7958 -2.6912 -2.6912 1.5227 1.5227 3.5892 3.5892 4.5539 4.5539 4.8336 4.8336 5.0553 5.0553 5.2352 5.2352 5.9113 5.9113 8.5421 8.5421 8.8149 8.8149 9.0956 9.0956 9.2973 9.2973 k = 0.7187-0.2637-0.6678 ( 5136 PWs) bands (ev): -42.8208 -42.8208 -21.7726 -21.7726 -21.2713 -21.2713 -21.2584 -21.2584 -5.0846 -5.0846 -5.0628 -5.0628 -3.4757 -3.4757 -3.2315 -3.2315 -2.8746 -2.8746 -2.8048 -2.8048 -2.7011 -2.7011 1.5096 1.5096 3.6364 3.6364 4.5494 4.5494 4.8938 4.8938 5.0678 5.0678 5.2387 5.2387 5.9718 5.9718 8.5576 8.5576 8.8337 8.8337 9.1187 9.1187 9.2920 9.2920 k = 0.7120-0.2518-0.6452 ( 5134 PWs) bands (ev): -42.8208 -42.8208 -21.7724 -21.7724 -21.2708 -21.2708 -21.2584 -21.2584 -5.0848 -5.0848 -5.0625 -5.0625 -3.4964 -3.4964 -3.2406 -3.2406 -2.8764 -2.8764 -2.8133 -2.8133 -2.7112 -2.7112 1.4971 1.4971 3.6871 3.6871 4.5374 4.5374 4.9548 4.9548 5.0817 5.0817 5.2495 5.2495 6.0345 6.0345 8.5684 8.5684 8.8593 8.8593 9.1449 9.1449 9.2866 9.2866 k = 0.7054-0.2399-0.6226 ( 5126 PWs) bands (ev): -42.8208 -42.8208 -21.7721 -21.7721 -21.2703 -21.2703 -21.2583 -21.2583 -5.0849 -5.0849 -5.0622 -5.0622 -3.5180 -3.5180 -3.2510 -3.2510 -2.8783 -2.8783 -2.8209 -2.8209 -2.7213 -2.7213 1.4850 1.4850 3.7403 3.7403 4.5210 4.5210 5.0104 5.0104 5.1012 5.1012 5.2679 5.2679 6.0993 6.0993 8.5749 8.5749 8.8914 8.8914 9.1694 9.1694 9.2848 9.2848 k = 0.6988-0.2279-0.6000 ( 5126 PWs) bands (ev): -42.8209 -42.8209 -21.7718 -21.7718 -21.2698 -21.2698 -21.2582 -21.2582 -5.0850 -5.0850 -5.0619 -5.0619 -3.5406 -3.5406 -3.2627 -3.2627 -2.8805 -2.8805 -2.8278 -2.8278 -2.7313 -2.7313 1.4735 1.4735 3.7942 3.7942 4.5033 4.5033 5.0462 5.0462 5.1400 5.1400 5.2928 5.2928 6.1659 6.1659 8.5781 8.5781 8.9285 8.9285 9.1845 9.1845 9.2922 9.2922 k = 0.6922-0.2160-0.5774 ( 5118 PWs) bands (ev): -42.8209 -42.8209 -21.7715 -21.7715 -21.2693 -21.2693 -21.2581 -21.2581 -5.0851 -5.0851 -5.0616 -5.0616 -3.5640 -3.5640 -3.2757 -3.2757 -2.8827 -2.8827 -2.8340 -2.8340 -2.7411 -2.7411 1.4626 1.4626 3.8464 3.8464 4.4881 4.4881 5.0609 5.0609 5.1998 5.1998 5.3229 5.3229 6.2341 6.2341 8.5793 8.5793 8.9686 8.9686 9.1858 9.1858 9.3103 9.3103 k = 0.6855-0.2041-0.5548 ( 5126 PWs) bands (ev): -42.8210 -42.8210 -21.7712 -21.7712 -21.2687 -21.2687 -21.2580 -21.2580 -5.0851 -5.0851 -5.0613 -5.0613 -3.5882 -3.5882 -3.2897 -3.2897 -2.8851 -2.8851 -2.8393 -2.8393 -2.7507 -2.7507 1.4522 1.4522 3.8935 3.8935 4.4797 4.4797 5.0674 5.0674 5.2665 5.2665 5.3581 5.3581 6.3039 6.3039 8.5797 8.5797 9.0091 9.0091 9.1774 9.1774 9.3313 9.3313 k = 0.6789-0.1922-0.5322 ( 5120 PWs) bands (ev): -42.8210 -42.8210 -21.7709 -21.7709 -21.2681 -21.2681 -21.2580 -21.2580 -5.0851 -5.0851 -5.0610 -5.0610 -3.6131 -3.6131 -3.3048 -3.3048 -2.8876 -2.8876 -2.8439 -2.8439 -2.7600 -2.7600 1.4423 1.4423 3.9310 3.9310 4.4835 4.4835 5.0717 5.0717 5.3292 5.3292 5.4027 5.4027 6.3752 6.3752 8.5798 8.5798 9.0461 9.0461 9.1650 9.1650 9.3493 9.3493 k = 0.6723-0.1803-0.5096 ( 5128 PWs) bands (ev): -42.8211 -42.8211 -21.7706 -21.7706 -21.2676 -21.2676 -21.2579 -21.2579 -5.0850 -5.0850 -5.0607 -5.0607 -3.6385 -3.6385 -3.3207 -3.3207 -2.8902 -2.8902 -2.8478 -2.8478 -2.7690 -2.7690 1.4329 1.4329 3.9543 3.9543 4.5042 4.5042 5.0760 5.0760 5.3776 5.3776 5.4638 5.4638 6.4478 6.4478 8.5804 8.5804 9.0734 9.0734 9.1540 9.1540 9.3659 9.3659 k = 0.6657-0.1684-0.4870 ( 5124 PWs) bands (ev): -42.8212 -42.8212 -21.7703 -21.7703 -21.2669 -21.2669 -21.2579 -21.2579 -5.0849 -5.0849 -5.0605 -5.0605 -3.6644 -3.6644 -3.3373 -3.3373 -2.8928 -2.8928 -2.8511 -2.8511 -2.7775 -2.7775 1.4240 1.4240 3.9615 3.9615 4.5443 4.5443 5.0813 5.0813 5.4136 5.4136 5.5384 5.5384 6.5217 6.5217 8.5816 8.5816 9.0820 9.0820 9.1514 9.1514 9.3861 9.3861 k = 0.6590-0.1564-0.4644 ( 5126 PWs) bands (ev): -42.8212 -42.8212 -21.7700 -21.7700 -21.2663 -21.2663 -21.2578 -21.2578 -5.0848 -5.0848 -5.0602 -5.0602 -3.6907 -3.6907 -3.3546 -3.3546 -2.8953 -2.8953 -2.8538 -2.8538 -2.7857 -2.7857 1.4155 1.4155 3.9537 3.9537 4.6028 4.6028 5.0880 5.0880 5.4433 5.4433 5.6193 5.6193 6.5968 6.5968 8.5834 8.5834 9.0716 9.0716 9.1558 9.1558 9.4130 9.4130 k = 0.6524-0.1445-0.4418 ( 5122 PWs) bands (ev): -42.8213 -42.8213 -21.7697 -21.7697 -21.2657 -21.2657 -21.2578 -21.2578 -5.0847 -5.0847 -5.0599 -5.0599 -3.7171 -3.7171 -3.3722 -3.3722 -2.8978 -2.8978 -2.8561 -2.8561 -2.7935 -2.7935 1.4074 1.4074 3.9343 3.9343 4.6764 4.6764 5.0963 5.0963 5.4693 5.4693 5.7034 5.7034 6.6732 6.6732 8.5860 8.5860 9.0520 9.0520 9.1577 9.1577 9.4472 9.4472 k = 0.6458-0.1326-0.4192 ( 5118 PWs) bands (ev): -42.8213 -42.8213 -21.7693 -21.7693 -21.2650 -21.2650 -21.2577 -21.2577 -5.0845 -5.0845 -5.0595 -5.0595 -3.7436 -3.7436 -3.3901 -3.3901 -2.9002 -2.9002 -2.8581 -2.8581 -2.8008 -2.8008 1.3997 1.3997 3.9070 3.9070 4.7613 4.7613 5.1066 5.1066 5.4925 5.4925 5.7895 5.7895 6.7506 6.7506 8.5892 8.5892 9.0285 9.0285 9.1542 9.1542 9.4869 9.4869 k = 0.6391-0.1207-0.3965 ( 5128 PWs) bands (ev): -42.8214 -42.8214 -21.7690 -21.7690 -21.2644 -21.2644 -21.2577 -21.2577 -5.0844 -5.0844 -5.0592 -5.0592 -3.7701 -3.7701 -3.4082 -3.4082 -2.9025 -2.9025 -2.8597 -2.8597 -2.8078 -2.8078 1.3924 1.3924 3.8746 3.8746 4.8541 4.8541 5.1193 5.1193 5.5133 5.5133 5.8770 5.8770 6.8291 6.8291 8.5927 8.5927 9.0029 9.0029 9.1459 9.1459 9.5300 9.5300 k = 0.6325-0.1088-0.3739 ( 5124 PWs) bands (ev): -42.8214 -42.8214 -21.7687 -21.7687 -21.2638 -21.2638 -21.2576 -21.2576 -5.0842 -5.0842 -5.0588 -5.0588 -3.7963 -3.7963 -3.4262 -3.4262 -2.9048 -2.9048 -2.8610 -2.8610 -2.8142 -2.8142 1.3854 1.3854 3.8392 3.8392 4.9514 4.9514 5.1356 5.1356 5.5318 5.5318 5.9654 5.9654 6.9087 6.9087 8.5965 8.5965 8.9759 8.9759 9.1339 9.1339 9.5747 9.5747 k = 0.6259-0.0968-0.3513 ( 5128 PWs) bands (ev): -42.8215 -42.8215 -21.7684 -21.7684 -21.2631 -21.2631 -21.2576 -21.2576 -5.0840 -5.0840 -5.0585 -5.0585 -3.8222 -3.8222 -3.4442 -3.4442 -2.9069 -2.9069 -2.8622 -2.8622 -2.8203 -2.8203 1.3787 1.3787 3.8021 3.8021 5.0459 5.0459 5.1611 5.1611 5.5483 5.5483 6.0543 6.0543 6.9891 6.9891 8.6003 8.6003 8.9480 8.9480 9.1194 9.1194 9.6201 9.6201 k = 0.6193-0.0849-0.3287 ( 5128 PWs) bands (ev): -42.8215 -42.8215 -21.7681 -21.7681 -21.2625 -21.2625 -21.2576 -21.2576 -5.0839 -5.0839 -5.0580 -5.0580 -3.8476 -3.8476 -3.4618 -3.4618 -2.9089 -2.9089 -2.8631 -2.8631 -2.8259 -2.8259 1.3724 1.3724 3.7645 3.7645 5.1146 5.1146 5.2175 5.2175 5.5632 5.5632 6.1436 6.1436 7.0704 7.0704 8.6040 8.6040 8.9193 8.9193 9.1031 9.1031 9.6653 9.6653 k = 0.6126-0.0730-0.3061 ( 5122 PWs) bands (ev): -42.8216 -42.8216 -21.7678 -21.7678 -21.2619 -21.2619 -21.2575 -21.2575 -5.0837 -5.0837 -5.0576 -5.0576 -3.8724 -3.8724 -3.4791 -3.4791 -2.9108 -2.9108 -2.8639 -2.8639 -2.8311 -2.8311 1.3663 1.3663 3.7269 3.7269 5.1476 5.1476 5.3132 5.3132 5.5766 5.5766 6.2330 6.2330 7.1525 7.1525 8.6073 8.6073 8.8901 8.8901 9.0854 9.0854 9.7098 9.7098 k = 0.6060-0.0611-0.2835 ( 5118 PWs) bands (ev): -42.8216 -42.8216 -21.7675 -21.7675 -21.2613 -21.2613 -21.2575 -21.2575 -5.0835 -5.0835 -5.0571 -5.0571 -3.8965 -3.8965 -3.4960 -3.4960 -2.9126 -2.9126 -2.8645 -2.8645 -2.8358 -2.8358 1.3606 1.3606 3.6900 3.6900 5.1689 5.1689 5.4228 5.4228 5.5894 5.5894 6.3222 6.3222 7.2352 7.2352 8.6100 8.6100 8.8606 8.8606 9.0668 9.0668 9.7531 9.7531 k = 0.5994-0.0492-0.2609 ( 5118 PWs) bands (ev): -42.8217 -42.8217 -21.7672 -21.7672 -21.2607 -21.2607 -21.2574 -21.2574 -5.0834 -5.0834 -5.0566 -5.0566 -3.9198 -3.9198 -3.5122 -3.5122 -2.9144 -2.9144 -2.8650 -2.8650 -2.8402 -2.8402 1.3551 1.3551 3.6541 3.6541 5.1871 5.1871 5.5336 5.5336 5.6046 5.6046 6.4111 6.4111 7.3183 7.3183 8.6121 8.6121 8.8309 8.8309 9.0474 9.0474 9.7947 9.7947 k = 0.5928-0.0372-0.2383 ( 5116 PWs) bands (ev): -42.8217 -42.8217 -21.7669 -21.7669 -21.2602 -21.2602 -21.2573 -21.2573 -5.0832 -5.0832 -5.0561 -5.0561 -3.9421 -3.9421 -3.5278 -3.5278 -2.9161 -2.9161 -2.8655 -2.8655 -2.8442 -2.8442 1.3500 1.3500 3.6196 3.6196 5.2041 5.2041 5.5986 5.5986 5.6665 5.6665 6.4996 6.4996 7.4016 7.4016 8.6133 8.6133 8.8011 8.8011 9.0275 9.0275 9.8339 9.8339 k = 0.5861-0.0253-0.2157 ( 5108 PWs) bands (ev): -42.8218 -42.8218 -21.7667 -21.7667 -21.2598 -21.2598 -21.2572 -21.2572 -5.0831 -5.0831 -5.0555 -5.0555 -3.9633 -3.9633 -3.5427 -3.5427 -2.9177 -2.9177 -2.8658 -2.8658 -2.8477 -2.8477 1.3451 1.3451 3.5866 3.5866 5.2203 5.2203 5.6126 5.6126 5.7788 5.7788 6.5874 6.5874 7.4849 7.4849 8.6137 8.6137 8.7716 8.7716 9.0071 9.0071 9.8701 9.8701 k = 0.5795-0.0134-0.1931 ( 5114 PWs) bands (ev): -42.8218 -42.8218 -21.7664 -21.7664 -21.2594 -21.2594 -21.2571 -21.2571 -5.0830 -5.0830 -5.0550 -5.0550 -3.9834 -3.9834 -3.5568 -3.5568 -2.9192 -2.9192 -2.8661 -2.8661 -2.8510 -2.8510 1.3406 1.3406 3.5555 3.5555 5.2357 5.2357 5.6222 5.6222 5.8938 5.8938 6.6746 6.6746 7.5678 7.5678 8.6129 8.6129 8.7424 8.7424 8.9864 8.9864 9.9023 9.9023 k = 0.5729-0.0015-0.1705 ( 5116 PWs) bands (ev): -42.8219 -42.8219 -21.7662 -21.7662 -21.2591 -21.2591 -21.2569 -21.2569 -5.0829 -5.0829 -5.0544 -5.0544 -4.0022 -4.0022 -3.5699 -3.5699 -2.9207 -2.9207 -2.8663 -2.8663 -2.8539 -2.8539 1.3364 1.3364 3.5263 3.5263 5.2501 5.2501 5.6307 5.6307 6.0071 6.0071 6.7612 6.7612 7.6498 7.6498 8.6109 8.6109 8.7137 8.7137 8.9653 8.9653 9.9292 9.9292 k = 0.5663 0.0104-0.1479 ( 5120 PWs) bands (ev): -42.8219 -42.8219 -21.7660 -21.7660 -21.2588 -21.2588 -21.2567 -21.2567 -5.0829 -5.0829 -5.0539 -5.0539 -4.0197 -4.0197 -3.5822 -3.5822 -2.9220 -2.9220 -2.8665 -2.8665 -2.8564 -2.8564 1.3325 1.3325 3.4993 3.4993 5.2635 5.2635 5.6387 5.6387 6.1167 6.1167 6.8472 6.8472 7.7306 7.7306 8.6076 8.6076 8.6858 8.6858 8.9441 8.9441 9.9494 9.9494 k = 0.5596 0.0224-0.1253 ( 5110 PWs) bands (ev): -42.8219 -42.8219 -21.7658 -21.7658 -21.2587 -21.2587 -21.2564 -21.2564 -5.0828 -5.0828 -5.0533 -5.0533 -4.0358 -4.0358 -3.5934 -3.5934 -2.9233 -2.9233 -2.8667 -2.8667 -2.8586 -2.8586 1.3289 1.3289 3.4746 3.4746 5.2757 5.2757 5.6464 5.6464 6.2211 6.2211 6.9325 6.9325 7.8094 7.8094 8.6025 8.6025 8.6590 8.6590 8.9228 8.9228 9.9611 9.9611 k = 0.5530 0.0343-0.1027 ( 5108 PWs) bands (ev): -42.8220 -42.8220 -21.7656 -21.7656 -21.2585 -21.2585 -21.2561 -21.2561 -5.0828 -5.0828 -5.0528 -5.0528 -4.0504 -4.0504 -3.6035 -3.6035 -2.9244 -2.9244 -2.8668 -2.8668 -2.8605 -2.8605 1.3256 1.3256 3.4522 3.4522 5.2866 5.2866 5.6538 5.6538 6.3187 6.3187 7.0169 7.0169 7.8854 7.8854 8.5956 8.5956 8.6334 8.6334 8.9016 8.9016 9.9628 9.9628 k = 0.5464 0.0462-0.0800 ( 5102 PWs) bands (ev): -42.8220 -42.8220 -21.7655 -21.7655 -21.2584 -21.2584 -21.2558 -21.2558 -5.0827 -5.0827 -5.0523 -5.0523 -4.0634 -4.0634 -3.6126 -3.6126 -2.9255 -2.9255 -2.8669 -2.8669 -2.8621 -2.8621 1.3228 1.3228 3.4322 3.4322 5.2961 5.2961 5.6608 5.6608 6.4078 6.4078 7.1002 7.1002 7.9580 7.9580 8.5864 8.5864 8.6094 8.6094 8.8809 8.8809 9.9539 9.9539 k = 0.5398 0.0581-0.0574 ( 5102 PWs) bands (ev): -42.8220 -42.8220 -21.7653 -21.7653 -21.2584 -21.2584 -21.2556 -21.2556 -5.0827 -5.0827 -5.0518 -5.0518 -4.0748 -4.0748 -3.6206 -3.6206 -2.9264 -2.9264 -2.8671 -2.8671 -2.8634 -2.8634 1.3202 1.3202 3.4148 3.4148 5.3042 5.3042 5.6673 5.6673 6.4873 6.4873 7.1812 7.1812 8.0259 8.0259 8.5743 8.5743 8.5875 8.5875 8.8612 8.8612 9.9351 9.9351 k = 0.5331 0.0700-0.0348 ( 5100 PWs) bands (ev): -42.8220 -42.8220 -21.7652 -21.7652 -21.2583 -21.2583 -21.2553 -21.2553 -5.0827 -5.0827 -5.0514 -5.0514 -4.0846 -4.0846 -3.6273 -3.6273 -2.9272 -2.9272 -2.8673 -2.8673 -2.8644 -2.8644 1.3181 1.3181 3.3999 3.3999 5.3110 5.3110 5.6732 5.6732 6.5558 6.5558 7.2583 7.2583 8.0882 8.0882 8.5590 8.5590 8.5684 8.5684 8.8431 8.8431 9.9089 9.9089 k = 0.5265 0.0820-0.0122 ( 5098 PWs) bands (ev): -42.8221 -42.8221 -21.7651 -21.7651 -21.2583 -21.2583 -21.2551 -21.2551 -5.0827 -5.0827 -5.0511 -5.0511 -4.0926 -4.0926 -3.6329 -3.6329 -2.9279 -2.9279 -2.8676 -2.8676 -2.8650 -2.8650 1.3163 1.3163 3.3877 3.3877 5.3165 5.3165 5.6784 5.6784 6.6125 6.6125 7.3293 7.3293 8.1436 8.1436 8.5424 8.5424 8.5509 8.5509 8.8273 8.8273 9.8791 9.8791 k = 0.5199 0.0939 0.0104 ( 5090 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2550 -21.2550 -5.0827 -5.0827 -5.0508 -5.0508 -4.0989 -4.0989 -3.6373 -3.6373 -2.9284 -2.9284 -2.8680 -2.8680 -2.8654 -2.8654 1.3149 1.3149 3.3782 3.3782 5.3206 5.3206 5.6826 5.6826 6.6570 6.6570 7.3907 7.3907 8.1904 8.1904 8.5270 8.5270 8.5339 8.5339 8.8144 8.8144 9.8499 9.8499 k = 0.5133 0.1058 0.0330 ( 5088 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2549 -21.2549 -5.0827 -5.0827 -5.0506 -5.0506 -4.1034 -4.1034 -3.6404 -3.6404 -2.9288 -2.9288 -2.8683 -2.8683 -2.8656 -2.8656 1.3139 1.3139 3.3713 3.3713 5.3236 5.3236 5.6857 5.6857 6.6890 6.6890 7.4388 7.4388 8.2269 8.2269 8.5144 8.5144 8.5187 8.5187 8.8048 8.8048 9.8256 9.8256 k = 0.5066 0.1177 0.0556 ( 5088 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0505 -5.0505 -4.1061 -4.1061 -3.6423 -3.6423 -2.9291 -2.9291 -2.8685 -2.8685 -2.8657 -2.8657 1.3133 1.3133 3.3672 3.3672 5.3253 5.3253 5.6876 5.6876 6.7081 6.7081 7.4697 7.4697 8.2505 8.2505 8.5054 8.5054 8.5084 8.5084 8.7990 8.7990 9.8095 9.8095 k = 0.5000 0.1296 0.0782 ( 5092 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0504 -5.0504 -4.1070 -4.1070 -3.6429 -3.6429 -2.9291 -2.9291 -2.8685 -2.8685 -2.8657 -2.8657 1.3131 1.3131 3.3658 3.3658 5.3259 5.3259 5.6882 5.6882 6.7145 6.7145 7.4804 7.4804 8.2588 8.2588 8.5018 8.5018 8.5050 8.5050 8.7971 8.7971 9.8038 9.8038 k = 0.5000 0.1296 0.0782 ( 5092 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0504 -5.0504 -4.1070 -4.1070 -3.6429 -3.6429 -2.9291 -2.9291 -2.8685 -2.8685 -2.8657 -2.8657 1.3131 1.3131 3.3658 3.3658 5.3259 5.3259 5.6882 5.6882 6.7145 6.7145 7.4804 7.4804 8.2588 8.2588 8.5018 8.5018 8.5050 8.5050 8.7971 8.7971 9.8038 9.8038 k = 0.4750 0.1232 0.0743 ( 5095 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0505 -5.0505 -4.1086 -4.1086 -3.6406 -3.6406 -2.9291 -2.9291 -2.8686 -2.8686 -2.8657 -2.8657 1.3076 1.3076 3.3748 3.3748 5.3262 5.3262 5.6884 5.6884 6.7132 6.7132 7.4798 7.4798 8.2435 8.2435 8.5019 8.5019 8.5050 8.5050 8.8011 8.8011 9.8077 9.8077 k = 0.4500 0.1167 0.0704 ( 5095 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0505 -5.0505 -4.1133 -4.1133 -3.6339 -3.6339 -2.9291 -2.9291 -2.8686 -2.8686 -2.8657 -2.8657 1.2911 1.2911 3.4015 3.4015 5.3271 5.3271 5.6890 5.6890 6.7091 6.7091 7.4782 7.4782 8.1997 8.1997 8.5022 8.5022 8.5052 8.5052 8.8117 8.8117 9.8188 9.8188 k = 0.4250 0.1102 0.0665 ( 5092 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0506 -5.0506 -4.1208 -4.1208 -3.6231 -3.6231 -2.9291 -2.9291 -2.8687 -2.8687 -2.8657 -2.8657 1.2649 1.2649 3.4449 3.4449 5.3286 5.3286 5.6899 5.6899 6.7023 6.7023 7.4756 7.4756 8.1326 8.1326 8.5026 8.5026 8.5055 8.5055 8.8259 8.8259 9.8361 9.8361 k = 0.4000 0.1037 0.0626 ( 5119 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2548 -21.2548 -5.0828 -5.0828 -5.0508 -5.0508 -4.1305 -4.1305 -3.6088 -3.6088 -2.9292 -2.9292 -2.8689 -2.8689 -2.8658 -2.8658 1.2303 1.2303 3.5035 3.5035 5.3306 5.3306 5.6911 5.6911 6.6925 6.6925 7.4720 7.4720 8.0476 8.0476 8.5032 8.5032 8.5058 8.5058 8.8408 8.8408 9.8583 9.8583 k = 0.3750 0.0972 0.0587 ( 5110 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2548 -21.2548 -5.0828 -5.0828 -5.0510 -5.0510 -4.1419 -4.1419 -3.5917 -3.5917 -2.9292 -2.9292 -2.8690 -2.8690 -2.8658 -2.8658 1.1890 1.1890 3.5756 3.5756 5.3332 5.3332 5.6927 5.6927 6.6797 6.6797 7.4675 7.4675 7.9495 7.9495 8.5040 8.5040 8.5063 8.5063 8.8550 8.8550 9.8843 9.8843 k = 0.3500 0.0907 0.0547 ( 5110 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0828 -5.0828 -5.0513 -5.0513 -4.1545 -4.1545 -3.5724 -3.5724 -2.9292 -2.9292 -2.8692 -2.8692 -2.8658 -2.8658 1.1429 1.1429 3.6596 3.6596 5.3363 5.3363 5.6945 5.6945 6.6634 6.6634 7.4624 7.4624 7.8423 7.8423 8.5048 8.5048 8.5068 8.5068 8.8679 8.8679 9.9130 9.9130 k = 0.3250 0.0843 0.0508 ( 5101 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0515 -5.0515 -4.1677 -4.1677 -3.5516 -3.5516 -2.9292 -2.9292 -2.8694 -2.8694 -2.8658 -2.8658 1.0936 1.0936 3.7538 3.7538 5.3399 5.3399 5.6966 5.6966 6.6431 6.6431 7.4566 7.4566 7.7293 7.7293 8.5058 8.5058 8.5073 8.5073 8.8792 8.8792 9.9439 9.9439 k = 0.3000 0.0778 0.0469 ( 5101 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0518 -5.0518 -4.1812 -4.1812 -3.5298 -3.5298 -2.9292 -2.9292 -2.8696 -2.8696 -2.8658 -2.8658 1.0426 1.0426 3.8567 3.8567 5.3438 5.3438 5.6988 5.6988 6.6181 6.6181 7.4503 7.4503 7.6136 7.6136 8.5067 8.5067 8.5079 8.5079 8.8891 8.8891 9.9766 9.9766 k = 0.2750 0.0713 0.0430 ( 5101 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0520 -5.0520 -4.1945 -4.1945 -3.5076 -3.5076 -2.9292 -2.9292 -2.8699 -2.8699 -2.8658 -2.8658 0.9913 0.9913 3.9668 3.9668 5.3481 5.3481 5.7012 5.7012 6.5870 6.5870 7.4437 7.4437 7.4981 7.4981 8.5077 8.5077 8.5085 8.5085 8.8978 8.8978 10.0110 10.0110 k = 0.2500 0.0648 0.0391 ( 5096 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0523 -5.0523 -4.2073 -4.2073 -3.4856 -3.4856 -2.9292 -2.9292 -2.8702 -2.8702 -2.8658 -2.8658 0.9410 0.9410 4.0831 4.0831 5.3527 5.3527 5.7036 5.7036 6.5482 6.5482 7.3861 7.3861 7.4370 7.4370 8.5087 8.5087 8.5091 8.5091 8.9054 8.9054 10.0468 10.0468 k = 0.2250 0.0583 0.0352 ( 5096 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0527 -5.0527 -4.2195 -4.2195 -3.4641 -3.4641 -2.9292 -2.9292 -2.8705 -2.8705 -2.8658 -2.8658 0.8926 0.8926 4.2043 4.2043 5.3577 5.3577 5.7061 5.7061 6.4996 6.4996 7.2812 7.2812 7.4303 7.4303 8.5097 8.5097 8.5097 8.5097 8.9121 8.9121 10.0840 10.0840 k = 0.2000 0.0519 0.0313 ( 5093 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0529 -5.0529 -4.2308 -4.2308 -3.4436 -3.4436 -2.9292 -2.9292 -2.8709 -2.8709 -2.8658 -2.8658 0.8471 0.8471 4.3294 4.3294 5.3630 5.3630 5.7085 5.7085 6.4386 6.4386 7.1867 7.1867 7.4237 7.4237 8.5102 8.5102 8.5106 8.5106 8.9180 8.9180 10.1222 10.1222 k = 0.1750 0.0454 0.0274 ( 5087 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0532 -5.0532 -4.2411 -4.2411 -3.4245 -3.4245 -2.9293 -2.9293 -2.8712 -2.8712 -2.8658 -2.8658 0.8052 0.8052 4.4574 4.4574 5.3688 5.3688 5.7108 5.7108 6.3636 6.3636 7.1056 7.1056 7.4175 7.4175 8.5107 8.5107 8.5115 8.5115 8.9232 8.9232 10.1613 10.1613 k = 0.1500 0.0389 0.0235 ( 5084 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0535 -5.0535 -4.2502 -4.2502 -3.4072 -3.4072 -2.9293 -2.9293 -2.8715 -2.8715 -2.8658 -2.8658 0.7676 0.7676 4.5870 4.5870 5.3755 5.3755 5.7129 5.7129 6.2741 6.2741 7.0395 7.0395 7.4118 7.4118 8.5111 8.5111 8.5122 8.5122 8.9277 8.9277 10.2007 10.2007 k = 0.1250 0.0324 0.0196 ( 5084 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0537 -5.0537 -4.2581 -4.2581 -3.3919 -3.3919 -2.9293 -2.9293 -2.8718 -2.8718 -2.8658 -2.8658 0.7348 0.7348 4.7163 4.7163 5.3837 5.3837 5.7148 5.7148 6.1716 6.1716 6.9878 6.9878 7.4068 7.4068 8.5115 8.5115 8.5129 8.5129 8.9315 8.9315 10.2402 10.2402 k = 0.1000 0.0259 0.0156 ( 5090 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0539 -5.0539 -4.2646 -4.2646 -3.3789 -3.3789 -2.9293 -2.9293 -2.8721 -2.8721 -2.8658 -2.8658 0.7074 0.7074 4.8428 4.8428 5.3950 5.3950 5.7165 5.7165 6.0587 6.0587 6.9492 6.9492 7.4024 7.4024 8.5118 8.5118 8.5134 8.5134 8.9346 8.9346 10.2789 10.2789 k = 0.0750 0.0194 0.0117 ( 5099 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0828 -5.0828 -5.0541 -5.0541 -4.2697 -4.2697 -3.3686 -3.3686 -2.9294 -2.9294 -2.8723 -2.8723 -2.8659 -2.8659 0.6856 0.6856 4.9614 4.9614 5.4129 5.4129 5.7178 5.7178 5.9392 5.9392 6.9214 6.9214 7.3990 7.3990 8.5120 8.5120 8.5139 8.5139 8.9370 8.9370 10.3159 10.3159 k = 0.0500 0.0130 0.0078 ( 5111 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2549 -21.2549 -5.0828 -5.0828 -5.0542 -5.0542 -4.2734 -4.2734 -3.3611 -3.3611 -2.9294 -2.9294 -2.8725 -2.8725 -2.8659 -2.8659 0.6699 0.6699 5.0625 5.0625 5.4447 5.4447 5.7187 5.7187 5.8172 5.8172 6.9029 6.9029 7.3964 7.3964 8.5122 8.5122 8.5142 8.5142 8.9388 8.9388 10.3494 10.3494 k = 0.0250 0.0065 0.0039 ( 5108 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2549 -21.2549 -5.0828 -5.0828 -5.0543 -5.0543 -4.2757 -4.2757 -3.3565 -3.3565 -2.9294 -2.9294 -2.8726 -2.8726 -2.8659 -2.8659 0.6603 0.6603 5.1310 5.1310 5.5016 5.5016 5.6977 5.6977 5.7193 5.7193 6.8923 6.8923 7.3949 7.3949 8.5123 8.5123 8.5144 8.5144 8.9398 8.9398 10.3756 10.3756 k = 0.0000 0.0000 0.0000 ( 5099 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0828 -5.0828 -5.0543 -5.0543 -4.2764 -4.2764 -3.3550 -3.3550 -2.9294 -2.9294 -2.8726 -2.8726 -2.8659 -2.8659 0.6572 0.6572 5.1549 5.1549 5.5868 5.5868 5.5906 5.5906 5.7195 5.7195 6.8888 6.8888 7.3944 7.3944 8.5123 8.5123 8.5144 8.5144 8.9402 8.9402 10.3864 10.3864 k = 0.0000 0.0000 0.0000 ( 5099 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0828 -5.0828 -5.0543 -5.0543 -4.2764 -4.2764 -3.3550 -3.3550 -2.9294 -2.9294 -2.8726 -2.8726 -2.8659 -2.8659 0.6572 0.6572 5.1549 5.1549 5.5868 5.5868 5.5906 5.5906 5.7195 5.7195 6.8888 6.8888 7.3944 7.3944 8.5123 8.5123 8.5144 8.5144 8.9402 8.9402 10.3864 10.3864 k = 0.0067-0.0120-0.0228 ( 5097 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2549 -21.2549 -5.0828 -5.0828 -5.0543 -5.0543 -4.2754 -4.2754 -3.3549 -3.3549 -2.9292 -2.9292 -2.8725 -2.8725 -2.8656 -2.8656 0.6584 0.6584 5.1518 5.1518 5.5427 5.5427 5.6198 5.6198 5.7333 5.7333 6.8853 6.8853 7.3875 7.3875 8.5143 8.5143 8.5177 8.5177 8.9446 8.9446 10.3488 10.3488 k = 0.0134-0.0241-0.0456 ( 5097 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2582 -21.2582 -21.2549 -21.2549 -5.0828 -5.0828 -5.0544 -5.0544 -4.2724 -4.2724 -3.3546 -3.3546 -2.9287 -2.9287 -2.8722 -2.8722 -2.8649 -2.8649 0.6621 0.6621 5.1425 5.1425 5.4902 5.4902 5.6330 5.6330 5.7693 5.7693 6.8750 6.8750 7.3677 7.3677 8.5197 8.5197 8.5272 8.5272 8.9578 8.9578 10.2659 10.2659 k = 0.0201-0.0361-0.0684 ( 5087 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2582 -21.2582 -21.2550 -21.2550 -5.0827 -5.0827 -5.0544 -5.0544 -4.2674 -4.2674 -3.3542 -3.3542 -2.9279 -2.9279 -2.8717 -2.8717 -2.8635 -2.8635 0.6683 0.6683 5.1264 5.1264 5.4360 5.4360 5.6359 5.6359 5.8154 5.8154 6.8582 6.8582 7.3366 7.3366 8.5284 8.5284 8.5412 8.5412 8.9798 8.9798 10.1679 10.1679 k = 0.0267-0.0481-0.0912 ( 5075 PWs) bands (ev): -42.8221 -42.8221 -21.7651 -21.7651 -21.2582 -21.2582 -21.2552 -21.2552 -5.0826 -5.0826 -5.0545 -5.0545 -4.2605 -4.2605 -3.3537 -3.3537 -2.9269 -2.9269 -2.8712 -2.8712 -2.8613 -2.8613 0.6770 0.6770 5.1030 5.1030 5.3823 5.3823 5.6343 5.6343 5.8639 5.8639 6.8358 6.8358 7.2964 7.2964 8.5402 8.5402 8.5574 8.5574 9.0101 9.0101 10.0653 10.0653 k = 0.0334-0.0601-0.1141 ( 5077 PWs) bands (ev): -42.8220 -42.8220 -21.7652 -21.7652 -21.2583 -21.2583 -21.2553 -21.2553 -5.0826 -5.0826 -5.0547 -5.0547 -4.2516 -4.2516 -3.3530 -3.3530 -2.9256 -2.9256 -2.8707 -2.8707 -2.8584 -2.8584 0.6880 0.6880 5.0717 5.0717 5.3300 5.3300 5.6303 5.6303 5.9113 5.9113 6.8087 6.8087 7.2494 7.2494 8.5544 8.5544 8.5741 8.5741 9.0479 9.0479 9.9624 9.9624 k = 0.0401-0.0722-0.1369 ( 5081 PWs) bands (ev): -42.8220 -42.8220 -21.7653 -21.7653 -21.2583 -21.2583 -21.2556 -21.2556 -5.0825 -5.0825 -5.0549 -5.0549 -4.2407 -4.2407 -3.3521 -3.3521 -2.9242 -2.9242 -2.8704 -2.8704 -2.8546 -2.8546 0.7016 0.7016 5.0327 5.0327 5.2794 5.2794 5.6250 5.6250 5.9558 5.9558 6.7781 6.7781 7.1978 7.1978 8.5703 8.5703 8.5905 8.5905 9.0913 9.0913 9.8614 9.8614 k = 0.0468-0.0842-0.1597 ( 5081 PWs) bands (ev): -42.8220 -42.8220 -21.7654 -21.7654 -21.2584 -21.2584 -21.2558 -21.2558 -5.0824 -5.0824 -5.0551 -5.0551 -4.2279 -4.2279 -3.3511 -3.3511 -2.9226 -2.9226 -2.8700 -2.8700 -2.8498 -2.8498 0.7175 0.7175 4.9865 4.9865 5.2297 5.2297 5.6189 5.6189 5.9963 5.9963 6.7453 6.7453 7.1431 7.1431 8.5862 8.5862 8.6074 8.6074 9.1384 9.1384 9.7639 9.7639 k = 0.0535-0.0962-0.1825 ( 5081 PWs) bands (ev): -42.8220 -42.8220 -21.7656 -21.7656 -21.2585 -21.2585 -21.2561 -21.2561 -5.0823 -5.0823 -5.0553 -5.0553 -4.2132 -4.2132 -3.3499 -3.3499 -2.9210 -2.9210 -2.8697 -2.8697 -2.8443 -2.8443 0.7357 0.7357 4.9346 4.9346 5.1794 5.1794 5.6122 5.6122 6.0318 6.0318 6.7116 6.7116 7.0865 7.0865 8.6001 8.6001 8.6261 8.6261 9.1864 9.1864 9.6712 9.6712 k = 0.0602-0.1082-0.2053 ( 5083 PWs) bands (ev): -42.8219 -42.8219 -21.7658 -21.7658 -21.2586 -21.2586 -21.2564 -21.2564 -5.0823 -5.0823 -5.0556 -5.0556 -4.1967 -4.1967 -3.3486 -3.3486 -2.9193 -2.9193 -2.8694 -2.8694 -2.8379 -2.8379 0.7563 0.7563 4.8784 4.8784 5.1271 5.1271 5.6051 5.6051 6.0614 6.0614 6.6783 6.6783 7.0289 7.0289 8.6111 8.6111 8.6472 8.6472 9.2323 9.2323 9.5850 9.5850 k = 0.0669-0.1203-0.2281 ( 5083 PWs) bands (ev): -42.8219 -42.8219 -21.7660 -21.7660 -21.2588 -21.2588 -21.2566 -21.2566 -5.0822 -5.0822 -5.0558 -5.0558 -4.1784 -4.1784 -3.3472 -3.3472 -2.9176 -2.9176 -2.8690 -2.8690 -2.8307 -2.8307 0.7791 0.7791 4.8193 4.8193 5.0717 5.0717 5.5978 5.5978 6.0844 6.0844 6.6461 6.6461 6.9712 6.9712 8.6199 8.6199 8.6695 8.6695 9.2720 9.2720 9.5072 9.5072 k = 0.0735-0.1323-0.2509 ( 5095 PWs) bands (ev): -42.8219 -42.8219 -21.7662 -21.7662 -21.2591 -21.2591 -21.2569 -21.2569 -5.0821 -5.0821 -5.0561 -5.0561 -4.1582 -4.1582 -3.3456 -3.3456 -2.9159 -2.9159 -2.8687 -2.8687 -2.8227 -2.8227 0.8042 0.8042 4.7584 4.7584 5.0123 5.0123 5.5901 5.5901 6.1002 6.1002 6.6157 6.6157 6.9138 6.9138 8.6271 8.6271 8.6917 8.6917 9.2985 9.2985 9.4430 9.4430 k = 0.0802-0.1443-0.2737 ( 5093 PWs) bands (ev): -42.8218 -42.8218 -21.7664 -21.7664 -21.2594 -21.2594 -21.2571 -21.2571 -5.0821 -5.0821 -5.0564 -5.0564 -4.1364 -4.1364 -3.3440 -3.3440 -2.9141 -2.9141 -2.8683 -2.8683 -2.8140 -2.8140 0.8313 0.8313 4.6964 4.6964 4.9488 4.9488 5.5817 5.5817 6.1085 6.1085 6.5868 6.5868 6.8575 6.8575 8.6332 8.6332 8.7122 8.7122 9.2972 9.2972 9.4049 9.4049 k = 0.0869-0.1563-0.2965 ( 5087 PWs) bands (ev): -42.8218 -42.8218 -21.7667 -21.7667 -21.2598 -21.2598 -21.2572 -21.2572 -5.0820 -5.0820 -5.0567 -5.0567 -4.1129 -4.1129 -3.3422 -3.3422 -2.9124 -2.9124 -2.8679 -2.8679 -2.8046 -2.8046 0.8605 0.8605 4.6342 4.6342 4.8812 4.8812 5.5724 5.5724 6.1096 6.1096 6.5588 6.5588 6.8029 6.8029 8.6385 8.6385 8.7297 8.7297 9.2644 9.2644 9.3955 9.3955 k = 0.0936-0.1684-0.3193 ( 5099 PWs) bands (ev): -42.8217 -42.8217 -21.7670 -21.7670 -21.2603 -21.2603 -21.2573 -21.2573 -5.0820 -5.0820 -5.0571 -5.0571 -4.0878 -4.0878 -3.3403 -3.3403 -2.9107 -2.9107 -2.8674 -2.8674 -2.7947 -2.7947 0.8917 0.8917 4.5720 4.5720 4.8101 4.8101 5.5616 5.5616 6.1038 6.1038 6.5304 6.5304 6.7507 6.7507 8.6433 8.6433 8.7424 8.7424 9.2223 9.2223 9.3936 9.3936 k = 0.1003-0.1804-0.3422 ( 5101 PWs) bands (ev): -42.8217 -42.8217 -21.7672 -21.7672 -21.2608 -21.2608 -21.2574 -21.2574 -5.0820 -5.0820 -5.0574 -5.0574 -4.0611 -4.0611 -3.3383 -3.3383 -2.9089 -2.9089 -2.8669 -2.8669 -2.7842 -2.7842 0.9247 0.9247 4.5104 4.5104 4.7360 4.7360 5.5487 5.5487 6.0919 6.0919 6.5002 6.5002 6.7016 6.7016 8.6477 8.6477 8.7493 8.7493 9.1819 9.1819 9.3916 9.3916 k = 0.1070-0.1924-0.3650 ( 5101 PWs) bands (ev): -42.8216 -42.8216 -21.7675 -21.7675 -21.2614 -21.2614 -21.2575 -21.2575 -5.0820 -5.0820 -5.0577 -5.0577 -4.0330 -4.0330 -3.3363 -3.3363 -2.9072 -2.9072 -2.8664 -2.8664 -2.7733 -2.7733 0.9595 0.9595 4.4496 4.4496 4.6598 4.6598 5.5332 5.5332 6.0747 6.0747 6.4670 6.4670 6.6559 6.6559 8.6519 8.6519 8.7500 8.7500 9.1445 9.1445 9.3928 9.3928 k = 0.1137-0.2045-0.3878 ( 5103 PWs) bands (ev): -42.8216 -42.8216 -21.7678 -21.7678 -21.2620 -21.2620 -21.2575 -21.2575 -5.0821 -5.0821 -5.0581 -5.0581 -4.0036 -4.0036 -3.3341 -3.3341 -2.9055 -2.9055 -2.8658 -2.8658 -2.7620 -2.7620 0.9959 0.9959 4.3900 4.3900 4.5821 4.5821 5.5143 5.5143 6.0529 6.0529 6.4306 6.4306 6.6134 6.6134 8.6557 8.6557 8.7453 8.7453 9.1094 9.1094 9.4019 9.4019 k = 0.1203-0.2165-0.4106 ( 5095 PWs) bands (ev): -42.8215 -42.8215 -21.7681 -21.7681 -21.2626 -21.2626 -21.2575 -21.2575 -5.0821 -5.0821 -5.0584 -5.0584 -3.9729 -3.9729 -3.3319 -3.3319 -2.9037 -2.9037 -2.8651 -2.8651 -2.7503 -2.7503 1.0337 1.0337 4.3317 4.3317 4.5040 4.5040 5.4914 5.4914 6.0270 6.0270 6.3916 6.3916 6.5732 6.5732 8.6590 8.6590 8.7368 8.7368 9.0760 9.0760 9.4214 9.4214 k = 0.1270-0.2285-0.4334 ( 5099 PWs) bands (ev): -42.8215 -42.8215 -21.7684 -21.7684 -21.2632 -21.2632 -21.2576 -21.2576 -5.0822 -5.0822 -5.0587 -5.0587 -3.9410 -3.9410 -3.3297 -3.3297 -2.9020 -2.9020 -2.8644 -2.8644 -2.7385 -2.7385 1.0727 1.0727 4.2748 4.2748 4.4262 4.4262 5.4637 5.4637 5.9975 5.9975 6.3513 6.3513 6.5340 6.5340 8.6612 8.6612 8.7268 8.7268 9.0452 9.0452 9.4512 9.4512 k = 0.1337-0.2405-0.4562 ( 5111 PWs) bands (ev): -42.8214 -42.8214 -21.7687 -21.7687 -21.2639 -21.2639 -21.2576 -21.2576 -5.0823 -5.0823 -5.0590 -5.0590 -3.9081 -3.9081 -3.3273 -3.3273 -2.9002 -2.9002 -2.8635 -2.8635 -2.7265 -2.7265 1.1129 1.1129 4.2195 4.2195 4.3496 4.3496 5.4308 5.4308 5.9643 5.9643 6.3112 6.3112 6.4948 6.4948 8.6614 8.6614 8.7178 8.7178 9.0181 9.0181 9.4898 9.4898 k = 0.1404-0.2526-0.4790 ( 5115 PWs) bands (ev): -42.8214 -42.8214 -21.7691 -21.7691 -21.2645 -21.2645 -21.2577 -21.2577 -5.0824 -5.0824 -5.0593 -5.0593 -3.8743 -3.8743 -3.3250 -3.3250 -2.8984 -2.8984 -2.8626 -2.8626 -2.7145 -2.7145 1.1538 1.1538 4.1659 4.1659 4.2751 4.2751 5.3924 5.3924 5.9275 5.9275 6.2725 6.2725 6.4550 6.4550 8.6577 8.6577 8.7123 8.7123 8.9961 8.9961 9.5353 9.5353 k = 0.1471-0.2646-0.5018 ( 5115 PWs) bands (ev): -42.8213 -42.8213 -21.7694 -21.7694 -21.2652 -21.2652 -21.2577 -21.2577 -5.0825 -5.0825 -5.0596 -5.0596 -3.8397 -3.8397 -3.3226 -3.3226 -2.8966 -2.8966 -2.8616 -2.8616 -2.7025 -2.7025 1.1954 1.1954 4.1138 4.1138 4.2037 4.2037 5.3483 5.3483 5.8870 5.8870 6.2359 6.2359 6.4145 6.4145 8.6496 8.6496 8.7116 8.7116 8.9803 8.9803 9.5856 9.5856 k = 0.1538-0.2766-0.5246 ( 5113 PWs) bands (ev): -42.8213 -42.8213 -21.7697 -21.7697 -21.2658 -21.2658 -21.2577 -21.2577 -5.0826 -5.0826 -5.0599 -5.0599 -3.8044 -3.8044 -3.3201 -3.3201 -2.8948 -2.8948 -2.8604 -2.8604 -2.6907 -2.6907 1.2373 1.2373 4.0631 4.0631 4.1366 4.1366 5.2985 5.2985 5.8429 5.8429 6.2016 6.2016 6.3734 6.3734 8.6384 8.6384 8.7149 8.7149 8.9712 8.9712 9.6386 9.6386 k = 0.1605-0.2886-0.5475 ( 5117 PWs) bands (ev): -42.8212 -42.8212 -21.7700 -21.7700 -21.2665 -21.2665 -21.2578 -21.2578 -5.0827 -5.0827 -5.0602 -5.0602 -3.7687 -3.7687 -3.3177 -3.3177 -2.8929 -2.8929 -2.8591 -2.8591 -2.6790 -2.6790 1.2792 1.2792 4.0132 4.0132 4.0749 4.0749 5.2432 5.2432 5.7955 5.7955 6.1689 6.1689 6.3327 6.3327 8.6257 8.6257 8.7209 8.7209 8.9686 8.9686 9.6912 9.6912 k = 0.1671-0.3007-0.5703 ( 5115 PWs) bands (ev): -42.8211 -42.8211 -21.7704 -21.7704 -21.2671 -21.2671 -21.2578 -21.2578 -5.0828 -5.0828 -5.0605 -5.0605 -3.7327 -3.7327 -3.3152 -3.3152 -2.8911 -2.8911 -2.8576 -2.8576 -2.6676 -2.6676 1.3208 1.3208 3.9637 3.9637 4.0199 4.0199 5.1830 5.1830 5.7450 5.7450 6.1367 6.1367 6.2933 6.2933 8.6128 8.6128 8.7285 8.7285 8.9725 8.9725 9.7388 9.7388 k = 0.1738-0.3127-0.5931 ( 5111 PWs) bands (ev): -42.8211 -42.8211 -21.7707 -21.7707 -21.2677 -21.2677 -21.2579 -21.2579 -5.0829 -5.0829 -5.0608 -5.0608 -3.6965 -3.6965 -3.3127 -3.3127 -2.8891 -2.8891 -2.8558 -2.8558 -2.6566 -2.6566 1.3617 1.3617 3.9151 3.9151 3.9719 3.9719 5.1183 5.1183 5.6921 5.6921 6.1033 6.1033 6.2567 6.2567 8.6007 8.6007 8.7373 8.7373 8.9823 8.9823 9.7740 9.7740 k = 0.1805-0.3247-0.6159 ( 5115 PWs) bands (ev): -42.8210 -42.8210 -21.7710 -21.7710 -21.2683 -21.2683 -21.2580 -21.2580 -5.0830 -5.0830 -5.0611 -5.0611 -3.6605 -3.6605 -3.3101 -3.3101 -2.8872 -2.8872 -2.8538 -2.8538 -2.6461 -2.6461 1.4016 1.4016 3.8688 3.8688 3.9303 3.9303 5.0497 5.0497 5.6372 5.6372 6.0675 6.0675 6.2239 6.2239 8.5899 8.5899 8.7469 8.7469 8.9973 8.9973 9.7879 9.7879 k = 0.1872-0.3367-0.6387 ( 5125 PWs) bands (ev): -42.8210 -42.8210 -21.7713 -21.7713 -21.2689 -21.2689 -21.2580 -21.2580 -5.0831 -5.0831 -5.0614 -5.0614 -3.6247 -3.6247 -3.3076 -3.3076 -2.8852 -2.8852 -2.8516 -2.8516 -2.6361 -2.6361 1.4400 1.4400 3.8264 3.8264 3.8940 3.8940 4.9779 4.9779 5.5809 5.5809 6.0284 6.0284 6.1954 6.1954 8.5808 8.5808 8.7569 8.7569 9.0170 9.0170 9.7769 9.7769 k = 0.1939-0.3488-0.6615 ( 5117 PWs) bands (ev): -42.8209 -42.8209 -21.7716 -21.7716 -21.2694 -21.2694 -21.2581 -21.2581 -5.0831 -5.0831 -5.0617 -5.0617 -3.5894 -3.5894 -3.3050 -3.3050 -2.8832 -2.8832 -2.8489 -2.8489 -2.6267 -2.6267 1.4768 1.4768 3.7891 3.7891 3.8624 3.8624 4.9036 4.9036 5.5236 5.5236 5.9863 5.9863 6.1706 6.1706 8.5737 8.5737 8.7671 8.7671 9.0409 9.0409 9.7452 9.7452 k = 0.2006-0.3608-0.6843 ( 5117 PWs) bands (ev): -42.8209 -42.8209 -21.7719 -21.7719 -21.2700 -21.2700 -21.2582 -21.2582 -5.0831 -5.0831 -5.0620 -5.0620 -3.5549 -3.5549 -3.3023 -3.3023 -2.8812 -2.8812 -2.8457 -2.8457 -2.6180 -2.6180 1.5113 1.5113 3.7578 3.7578 3.8353 3.8353 4.8273 4.8273 5.4656 5.4656 5.9421 5.9421 6.1485 6.1485 8.5688 8.5688 8.7772 8.7772 9.0681 9.0681 9.6991 9.6991 k = 0.2073-0.3728-0.7071 ( 5117 PWs) bands (ev): -42.8208 -42.8208 -21.7721 -21.7721 -21.2705 -21.2705 -21.2583 -21.2583 -5.0831 -5.0831 -5.0623 -5.0623 -3.5215 -3.5215 -3.2996 -3.2996 -2.8792 -2.8792 -2.8420 -2.8420 -2.6101 -2.6101 1.5435 1.5435 3.7326 3.7326 3.8128 3.8128 4.7499 4.7499 5.4073 5.4073 5.8968 5.8968 6.1281 6.1281 8.5662 8.5662 8.7871 8.7871 9.0982 9.0982 9.6440 9.6440 k = 0.2139-0.3849-0.7299 ( 5121 PWs) bands (ev): -42.8208 -42.8208 -21.7724 -21.7724 -21.2710 -21.2710 -21.2583 -21.2583 -5.0831 -5.0831 -5.0626 -5.0626 -3.4893 -3.4893 -3.2969 -3.2969 -2.8772 -2.8772 -2.8377 -2.8377 -2.6030 -2.6030 1.5730 1.5730 3.7135 3.7135 3.7951 3.7951 4.6719 4.6719 5.3489 5.3489 5.8512 5.8512 6.1083 6.1083 8.5661 8.5661 8.7965 8.7965 9.1304 9.1304 9.5834 9.5834 k = 0.2206-0.3969-0.7527 ( 5127 PWs) bands (ev): -42.8207 -42.8207 -21.7727 -21.7727 -21.2714 -21.2714 -21.2584 -21.2584 -5.0830 -5.0830 -5.0630 -5.0630 -3.4586 -3.4586 -3.2940 -3.2940 -2.8754 -2.8754 -2.8326 -2.8326 -2.5968 -2.5968 1.5997 1.5997 3.6998 3.6998 3.7831 3.7831 4.5942 4.5942 5.2906 5.2906 5.8060 5.8060 6.0884 6.0884 8.5683 8.5683 8.8053 8.8053 9.1638 9.1638 9.5201 9.5201 k = 0.2273-0.4089-0.7756 ( 5129 PWs) bands (ev): -42.8207 -42.8207 -21.7729 -21.7729 -21.2718 -21.2718 -21.2585 -21.2585 -5.0828 -5.0828 -5.0633 -5.0633 -3.4298 -3.4298 -3.2911 -3.2911 -2.8736 -2.8736 -2.8266 -2.8266 -2.5915 -2.5915 1.6234 1.6234 3.6906 3.6906 3.7774 3.7774 4.5174 4.5174 5.2327 5.2327 5.7616 5.7616 6.0680 6.0680 8.5730 8.5730 8.8133 8.8133 9.1966 9.1966 9.4570 9.4570 k = 0.2340-0.4209-0.7984 ( 5133 PWs) bands (ev): -42.8207 -42.8207 -21.7731 -21.7731 -21.2722 -21.2722 -21.2586 -21.2586 -5.0827 -5.0827 -5.0637 -5.0637 -3.4031 -3.4031 -3.2879 -3.2879 -2.8719 -2.8719 -2.8197 -2.8197 -2.5872 -2.5872 1.6443 1.6443 3.6846 3.6846 3.7790 3.7790 4.4423 4.4423 5.1754 5.1754 5.7186 5.7186 6.0468 6.0468 8.5800 8.5800 8.8204 8.8204 9.2252 9.2252 9.3985 9.3985 k = 0.2407-0.4330-0.8212 ( 5133 PWs) bands (ev): -42.8206 -42.8206 -21.7734 -21.7734 -21.2726 -21.2726 -21.2587 -21.2587 -5.0824 -5.0824 -5.0641 -5.0641 -3.3789 -3.3789 -3.2845 -3.2845 -2.8704 -2.8704 -2.8117 -2.8117 -2.5839 -2.5839 1.6623 1.6623 3.6808 3.6808 3.7880 3.7880 4.3699 4.3699 5.1189 5.1189 5.6771 5.6771 6.0245 6.0245 8.5892 8.5892 8.8264 8.8264 9.2372 9.2372 9.3577 9.3577 k = 0.2474-0.4450-0.8440 ( 5133 PWs) bands (ev): -42.8206 -42.8206 -21.7736 -21.7736 -21.2729 -21.2729 -21.2588 -21.2588 -5.0822 -5.0822 -5.0645 -5.0645 -3.3573 -3.3573 -3.2807 -3.2807 -2.8690 -2.8690 -2.8027 -2.8027 -2.5817 -2.5817 1.6778 1.6778 3.6787 3.6787 3.8036 3.8036 4.3017 4.3017 5.0636 5.0636 5.6374 5.6374 6.0011 6.0011 8.6003 8.6003 8.8311 8.8311 9.2121 9.2121 9.3553 9.3553 k = 0.2541-0.4570-0.8668 ( 5137 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2732 -21.2732 -21.2589 -21.2589 -5.0819 -5.0819 -5.0650 -5.0650 -3.3386 -3.3386 -3.2763 -3.2763 -2.8677 -2.8677 -2.7927 -2.7927 -2.5805 -2.5805 1.6909 1.6909 3.6781 3.6781 3.8237 3.8237 4.2395 4.2395 5.0097 5.0097 5.5996 5.5996 5.9764 5.9764 8.6129 8.6129 8.8341 8.8341 9.1641 9.1641 9.3777 9.3777 k = 0.2607-0.4690-0.8896 ( 5135 PWs) bands (ev): -42.8205 -42.8205 -21.7739 -21.7739 -21.2734 -21.2734 -21.2590 -21.2590 -5.0815 -5.0815 -5.0655 -5.0655 -3.3232 -3.3232 -3.2713 -3.2713 -2.8666 -2.8666 -2.7817 -2.7817 -2.5803 -2.5803 1.7019 1.7019 3.6790 3.6790 3.8447 3.8447 4.1867 4.1867 4.9575 4.9575 5.5638 5.5638 5.9506 5.9506 8.6265 8.6265 8.8348 8.8348 9.1129 9.1129 9.4058 9.4058 k = 0.2674-0.4811-0.9124 ( 5121 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2736 -21.2736 -21.2591 -21.2591 -5.0810 -5.0810 -5.0659 -5.0659 -3.3110 -3.3110 -3.2655 -3.2655 -2.8656 -2.8656 -2.7698 -2.7698 -2.5813 -2.5813 1.7111 1.7111 3.6811 3.6811 3.8605 3.8605 4.1492 4.1492 4.9076 4.9076 5.5301 5.5301 5.9238 5.9238 8.6403 8.6403 8.8326 8.8326 9.0658 9.0658 9.4332 9.4332 k = 0.2741-0.4931-0.9352 ( 5123 PWs) bands (ev): -42.8205 -42.8205 -21.7742 -21.7742 -21.2738 -21.2738 -21.2592 -21.2592 -5.0806 -5.0806 -5.0665 -5.0665 -3.3017 -3.3017 -3.2592 -3.2592 -2.8648 -2.8648 -2.7573 -2.7573 -2.5833 -2.5833 1.7187 1.7187 3.6841 3.6841 3.8630 3.8630 4.1344 4.1344 4.8604 4.8604 5.4985 5.4985 5.8961 5.8961 8.6527 8.6527 8.8268 8.8268 9.0267 9.0267 9.4569 9.4570 k = 0.2808-0.5051-0.9580 ( 5131 PWs) bands (ev): -42.8205 -42.8205 -21.7743 -21.7743 -21.2740 -21.2740 -21.2593 -21.2593 -5.0801 -5.0801 -5.0670 -5.0670 -3.2949 -3.2949 -3.2529 -3.2529 -2.8641 -2.8641 -2.7442 -2.7442 -2.5863 -2.5863 1.7249 1.7249 3.6873 3.6873 3.8492 3.8492 4.1455 4.1455 4.8166 4.8166 5.4691 5.4691 5.8677 5.8677 8.6612 8.6612 8.8180 8.8180 8.9984 8.9984 9.4748 9.4748 k = 0.2875-0.5171-0.9809 ( 5133 PWs) bands (ev): -42.8204 -42.8204 -21.7744 -21.7744 -21.2741 -21.2741 -21.2594 -21.2594 -5.0796 -5.0796 -5.0676 -5.0676 -3.2896 -3.2896 -3.2472 -3.2472 -2.8634 -2.8634 -2.7308 -2.7308 -2.5904 -2.5904 1.7298 1.7298 3.6895 3.6895 3.8248 3.8248 4.1767 4.1767 4.7770 4.7770 5.4417 5.4417 5.8388 5.8388 8.6621 8.6621 8.8098 8.8098 8.9814 8.9814 9.4842 9.4842 k = 0.2942-0.5292-1.0037 ( 5135 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2742 -21.2742 -21.2595 -21.2595 -5.0790 -5.0790 -5.0682 -5.0682 -3.2855 -3.2855 -3.2424 -3.2424 -2.8629 -2.8629 -2.7173 -2.7173 -2.5954 -2.5954 1.7335 1.7335 3.6886 3.6886 3.7990 3.7990 4.2195 4.2195 4.7427 4.7427 5.4165 5.4165 5.8097 5.8097 8.6521 8.6521 8.8072 8.8072 8.9742 8.9742 9.4821 9.4821 k = 0.3009-0.5412-1.0265 ( 5147 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2743 -21.2743 -21.2596 -21.2596 -5.0785 -5.0785 -5.0688 -5.0688 -3.2822 -3.2822 -3.2387 -3.2387 -2.8625 -2.8625 -2.7040 -2.7040 -2.6013 -2.6013 1.7360 1.7360 3.6819 3.6819 3.7788 3.7788 4.2677 4.2677 4.7151 4.7151 5.3934 5.3934 5.7807 5.7807 8.6324 8.6324 8.8113 8.8113 8.9745 8.9745 9.4670 9.4670 k = 0.3075-0.5532-1.0493 ( 5157 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2597 -21.2597 -5.0780 -5.0780 -5.0694 -5.0694 -3.2795 -3.2795 -3.2361 -3.2361 -2.8622 -2.8622 -2.6909 -2.6909 -2.6082 -2.6082 1.7372 1.7372 3.6687 3.6687 3.7673 3.7673 4.3167 4.3167 4.6963 4.6963 5.3722 5.3722 5.7520 5.7520 8.6072 8.6072 8.8194 8.8194 8.9808 8.9808 9.4401 9.4401 k = 0.3142-0.5653-1.0721 ( 5157 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0775 -5.0775 -5.0699 -5.0699 -3.2773 -3.2773 -3.2345 -3.2345 -2.8620 -2.8620 -2.6783 -2.6783 -2.6157 -2.6157 1.7370 1.7370 3.6522 3.6522 3.7620 3.7620 4.3625 4.3625 4.6889 4.6889 5.3531 5.3531 5.7241 5.7241 8.5807 8.5807 8.8281 8.8281 8.9921 8.9921 9.4058 9.4058 k = 0.3209-0.5773-1.0949 ( 5151 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0770 -5.0770 -5.0703 -5.0703 -3.2757 -3.2757 -3.2337 -3.2337 -2.8618 -2.8618 -2.6665 -2.6665 -2.6238 -2.6238 1.7353 1.7353 3.6366 3.6366 3.7592 3.7592 4.4015 4.4015 4.6955 4.6955 5.3358 5.3358 5.6972 5.6972 8.5554 8.5554 8.8352 8.8352 9.0077 9.0077 9.3690 9.3690 k = 0.3276-0.5893-1.1177 ( 5151 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0767 -5.0767 -5.0706 -5.0706 -3.2747 -3.2747 -3.2334 -3.2334 -2.8617 -2.8617 -2.6563 -2.6563 -2.6317 -2.6317 1.7319 1.7319 3.6244 3.6244 3.7563 3.7563 4.4317 4.4317 4.7173 4.7173 5.3204 5.3204 5.6717 5.6717 8.5329 8.5329 8.8392 8.8392 9.0269 9.0269 9.3334 9.3334 k = 0.3343-0.6013-1.1405 ( 5145 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0766 -5.0766 -5.0707 -5.0707 -3.2745 -3.2745 -3.2334 -3.2334 -2.8616 -2.8616 -2.6517 -2.6517 -2.6355 -2.6355 1.7267 1.7267 3.6169 3.6169 3.7521 3.7521 4.4544 4.4544 4.7526 4.7526 5.3068 5.3068 5.6481 5.6481 8.5141 8.5141 8.8394 8.8394 9.0487 9.0487 9.3019 9.3019 k = 0.3410-0.6134-1.1633 ( 5149 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0768 -5.0768 -5.0706 -5.0706 -3.2751 -3.2751 -3.2333 -3.2333 -2.8617 -2.8617 -2.6578 -2.6578 -2.6299 -2.6299 1.7196 1.7196 3.6142 3.6142 3.7464 3.7464 4.4728 4.4728 4.7971 4.7971 5.2949 5.2949 5.6267 5.6267 8.4994 8.4994 8.8354 8.8354 9.0720 9.0720 9.2762 9.2762 k = 0.6590-0.4837-1.0851 ( 5149 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2598 -21.2598 -5.0768 -5.0768 -5.0706 -5.0706 -3.2751 -3.2751 -3.2333 -3.2333 -2.8617 -2.8617 -2.6578 -2.6578 -2.6299 -2.6299 1.7196 1.7196 3.6142 3.6142 3.7464 3.7464 4.4728 4.4728 4.7971 4.7971 5.2949 5.2949 5.6267 5.6267 8.4994 8.4994 8.8354 8.8354 9.0720 9.0720 9.2762 9.2762 k = 0.6524-0.4582-1.0851 ( 5149 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0772 -5.0772 -5.0702 -5.0702 -3.2768 -3.2768 -3.2330 -3.2330 -2.8618 -2.8618 -2.6677 -2.6677 -2.6217 -2.6217 1.7107 1.7107 3.6157 3.6157 3.7401 3.7401 4.4898 4.4898 4.8461 4.8461 5.2847 5.2847 5.6080 5.6080 8.4893 8.4893 8.8273 8.8273 9.0955 9.0955 9.2577 9.2577 k = 0.6458-0.4326-1.0851 ( 5149 PWs) bands (ev): -42.8204 -42.8204 -21.7747 -21.7747 -21.2745 -21.2745 -21.2597 -21.2597 -5.0778 -5.0778 -5.0697 -5.0697 -3.2795 -3.2795 -3.2322 -3.2322 -2.8619 -2.8619 -2.6788 -2.6788 -2.6137 -2.6137 1.7000 1.7000 3.6191 3.6191 3.7350 3.7350 4.5076 4.5076 4.8969 4.8969 5.2761 5.2761 5.5924 5.5924 8.4833 8.4833 8.8153 8.8153 9.1185 9.1185 9.2466 9.2466 k = 0.6391-0.4071-1.0851 ( 5141 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2596 -21.2596 -5.0785 -5.0785 -5.0690 -5.0690 -3.2831 -3.2831 -3.2309 -3.2309 -2.8622 -2.8622 -2.6903 -2.6903 -2.6063 -2.6063 1.6875 1.6875 3.6211 3.6211 3.7350 3.7350 4.5269 4.5269 4.9476 4.9476 5.2691 5.2691 5.5801 5.5801 8.4813 8.4813 8.8000 8.8000 9.1404 9.1404 9.2423 9.2423 k = 0.6325-0.3815-1.0851 ( 5145 PWs) bands (ev): -42.8204 -42.8204 -21.7746 -21.7746 -21.2744 -21.2744 -21.2595 -21.2595 -5.0792 -5.0792 -5.0683 -5.0683 -3.2876 -3.2876 -3.2291 -3.2291 -2.8624 -2.8624 -2.7022 -2.7022 -2.5996 -2.5996 1.6734 1.6734 3.6177 3.6177 3.7439 3.7439 4.5478 4.5478 4.9967 4.9967 5.2637 5.2637 5.5715 5.5715 8.4827 8.4827 8.7824 8.7824 9.1610 9.1610 9.2429 9.2429 k = 0.6259-0.3559-1.0851 ( 5141 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2744 -21.2744 -21.2594 -21.2594 -5.0800 -5.0800 -5.0675 -5.0675 -3.2928 -3.2928 -3.2269 -3.2269 -2.8628 -2.8628 -2.7143 -2.7143 -2.5936 -2.5936 1.6580 1.6580 3.6075 3.6075 3.7631 3.7631 4.5699 4.5699 5.0435 5.0435 5.2598 5.2598 5.5667 5.5667 8.4867 8.4867 8.7634 8.7634 9.1809 9.1809 9.2454 9.2454 k = 0.6193-0.3304-1.0851 ( 5145 PWs) bands (ev): -42.8204 -42.8204 -21.7745 -21.7745 -21.2744 -21.2744 -21.2593 -21.2593 -5.0809 -5.0809 -5.0668 -5.0668 -3.2985 -3.2985 -3.2244 -3.2244 -2.8633 -2.8633 -2.7265 -2.7265 -2.5882 -2.5882 1.6414 1.6414 3.5919 3.5919 3.7908 3.7908 4.5926 4.5926 5.0876 5.0876 5.2577 5.2577 5.5658 5.5658 8.4923 8.4923 8.7437 8.7437 9.2009 9.2009 9.2471 9.2471 k = 0.6126-0.3048-1.0851 ( 5137 PWs) bands (ev): -42.8204 -42.8204 -21.7744 -21.7744 -21.2744 -21.2744 -21.2592 -21.2592 -5.0817 -5.0817 -5.0660 -5.0660 -3.3045 -3.3045 -3.2216 -3.2216 -2.8638 -2.8638 -2.7387 -2.7387 -2.5834 -2.5834 1.6240 1.6240 3.5733 3.5733 3.8246 3.8246 4.6154 4.6154 5.1289 5.1289 5.2574 5.2574 5.5687 5.5687 8.4983 8.4983 8.7238 8.7238 9.2206 9.2206 9.2469 9.2469 k = 0.6060-0.2793-1.0851 ( 5135 PWs) bands (ev): -42.8205 -42.8205 -21.7744 -21.7744 -21.2744 -21.2744 -21.2590 -21.2590 -5.0826 -5.0826 -5.0653 -5.0653 -3.3108 -3.3108 -3.2185 -3.2185 -2.8645 -2.8645 -2.7508 -2.7508 -2.5793 -2.5793 1.6061 1.6061 3.5529 3.5529 3.8624 3.8624 4.6378 4.6378 5.1677 5.1677 5.2591 5.2591 5.5751 5.5751 8.5034 8.5034 8.7036 8.7036 9.2308 9.2308 9.2539 9.2539 k = 0.5994-0.2537-1.0851 ( 5139 PWs) bands (ev): -42.8205 -42.8205 -21.7743 -21.7743 -21.2745 -21.2745 -21.2589 -21.2589 -5.0835 -5.0835 -5.0645 -5.0645 -3.3172 -3.3172 -3.2153 -3.2153 -2.8654 -2.8654 -2.7627 -2.7627 -2.5757 -2.5757 1.5878 1.5878 3.5317 3.5317 3.9027 3.9027 4.6592 4.6592 5.2043 5.2043 5.2628 5.2628 5.5846 5.5846 8.5067 8.5067 8.6824 8.6824 9.2258 9.2258 9.2748 9.2748 k = 0.5928-0.2282-1.0851 ( 5135 PWs) bands (ev): -42.8205 -42.8205 -21.7743 -21.7743 -21.2745 -21.2745 -21.2587 -21.2587 -5.0843 -5.0843 -5.0638 -5.0638 -3.3236 -3.3236 -3.2119 -3.2119 -2.8664 -2.8664 -2.7741 -2.7741 -2.5726 -2.5726 1.5695 1.5695 3.5105 3.5105 3.9442 3.9442 4.6792 4.6792 5.2392 5.2392 5.2688 5.2688 5.5965 5.5965 8.5073 8.5073 8.6593 8.6593 9.2182 9.2182 9.2975 9.2975 k = 0.5861-0.2026-1.0851 ( 5133 PWs) bands (ev): -42.8205 -42.8205 -21.7742 -21.7742 -21.2745 -21.2745 -21.2585 -21.2585 -5.0852 -5.0852 -5.0631 -5.0631 -3.3299 -3.3299 -3.2084 -3.2084 -2.8678 -2.8678 -2.7851 -2.7851 -2.5699 -2.5699 1.5514 1.5514 3.4897 3.4897 3.9856 3.9856 4.6977 4.6977 5.2687 5.2687 5.2814 5.2814 5.6103 5.6103 8.5048 8.5048 8.6332 8.6332 9.2120 9.2120 9.3168 9.3168 k = 0.5795-0.1770-1.0851 ( 5125 PWs) bands (ev): -42.8205 -42.8205 -21.7741 -21.7741 -21.2745 -21.2745 -21.2583 -21.2583 -5.0859 -5.0859 -5.0624 -5.0624 -3.3360 -3.3360 -3.2048 -3.2048 -2.8695 -2.8695 -2.7953 -2.7953 -2.5676 -2.5676 1.5338 1.5338 3.4695 3.4695 4.0259 4.0259 4.7144 4.7144 5.2812 5.2812 5.3125 5.3125 5.6254 5.6254 8.4984 8.4984 8.6041 8.6041 9.2089 9.2089 9.3279 9.3279 k = 0.5729-0.1515-1.0851 ( 5127 PWs) bands (ev): -42.8205 -42.8205 -21.7741 -21.7741 -21.2745 -21.2745 -21.2581 -21.2581 -5.0867 -5.0867 -5.0618 -5.0618 -3.3420 -3.3420 -3.2011 -3.2011 -2.8716 -2.8716 -2.8047 -2.8047 -2.5657 -2.5657 1.5169 1.5169 3.4504 3.4504 4.0642 4.0642 4.7294 4.7294 5.2909 5.2909 5.3483 5.3483 5.6412 5.6412 8.4857 8.4857 8.5743 8.5743 9.2092 9.2092 9.3280 9.3280 k = 0.5663-0.1259-1.0851 ( 5121 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2746 -21.2746 -21.2579 -21.2579 -5.0874 -5.0874 -5.0612 -5.0612 -3.3476 -3.3476 -3.1975 -3.1975 -2.8743 -2.8743 -2.8130 -2.8130 -2.5641 -2.5641 1.5009 1.5009 3.4324 3.4324 4.0998 4.0998 4.7427 4.7427 5.3006 5.3006 5.3860 5.3860 5.6570 5.6570 8.4625 8.4625 8.5492 8.5492 9.2127 9.2127 9.3187 9.3187 k = 0.5596-0.1004-1.0851 ( 5127 PWs) bands (ev): -42.8205 -42.8205 -21.7740 -21.7740 -21.2746 -21.2746 -21.2578 -21.2578 -5.0881 -5.0881 -5.0607 -5.0607 -3.3529 -3.3529 -3.1939 -3.1939 -2.8776 -2.8776 -2.8201 -2.8201 -2.5627 -2.5627 1.4859 1.4859 3.4157 3.4157 4.1320 4.1320 4.7543 4.7543 5.3101 5.3101 5.4252 5.4252 5.6725 5.6725 8.4262 8.4262 8.5328 8.5328 9.2181 9.2181 9.3040 9.3040 k = 0.5530-0.0748-1.0851 ( 5131 PWs) bands (ev): -42.8205 -42.8205 -21.7739 -21.7739 -21.2746 -21.2746 -21.2576 -21.2576 -5.0887 -5.0887 -5.0602 -5.0602 -3.3578 -3.3578 -3.1905 -3.1905 -2.8815 -2.8815 -2.8260 -2.8260 -2.5616 -2.5616 1.4721 1.4721 3.4005 3.4005 4.1606 4.1606 4.7645 4.7645 5.3191 5.3191 5.4657 5.4657 5.6872 5.6872 8.3808 8.3808 8.5231 8.5231 9.2243 9.2243 9.2877 9.2877 k = 0.5464-0.0493-1.0851 ( 5125 PWs) bands (ev): -42.8206 -42.8206 -21.7739 -21.7739 -21.2747 -21.2747 -21.2575 -21.2575 -5.0893 -5.0893 -5.0597 -5.0597 -3.3622 -3.3622 -3.1872 -3.1872 -2.8858 -2.8858 -2.8306 -2.8306 -2.5607 -2.5607 1.4597 1.4597 3.3869 3.3869 4.1853 4.1853 4.7733 4.7733 5.3274 5.3274 5.5068 5.5068 5.7007 5.7007 8.3313 8.3313 8.5171 8.5171 9.2289 9.2289 9.2731 9.2731 k = 0.5398-0.0237-1.0851 ( 5129 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2747 -21.2747 -21.2574 -21.2574 -5.0898 -5.0898 -5.0593 -5.0593 -3.3661 -3.3661 -3.1841 -3.1841 -2.8902 -2.8902 -2.8341 -2.8341 -2.5600 -2.5600 1.4487 1.4487 3.3749 3.3749 4.2062 4.2062 4.7808 4.7808 5.3348 5.3348 5.5475 5.5475 5.7125 5.7125 8.2816 8.2816 8.5131 8.5131 9.2281 9.2281 9.2646 9.2646 k = 0.5331 0.0019-1.0851 ( 5125 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2747 -21.2747 -21.2572 -21.2572 -5.0902 -5.0902 -5.0590 -5.0590 -3.3695 -3.3695 -3.1813 -3.1813 -2.8946 -2.8946 -2.8367 -2.8367 -2.5594 -2.5594 1.4393 1.4393 3.3647 3.3647 4.2233 4.2233 4.7871 4.7871 5.3411 5.3411 5.5866 5.5866 5.7222 5.7222 8.2343 8.2343 8.5104 8.5104 9.2204 9.2204 9.2642 9.2642 k = 0.5265 0.0274-1.0851 ( 5127 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2747 -21.2747 -21.2571 -21.2571 -5.0906 -5.0906 -5.0587 -5.0587 -3.3723 -3.3723 -3.1789 -3.1789 -2.8986 -2.8986 -2.8386 -2.8386 -2.5590 -2.5590 1.4314 1.4314 3.3562 3.3562 4.2369 4.2369 4.7922 4.7922 5.3463 5.3463 5.6227 5.6227 5.7293 5.7293 8.1919 8.1919 8.5086 8.5086 9.2102 9.2102 9.2677 9.2677 k = 0.5199 0.0530-1.0851 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7738 -21.7738 -21.2748 -21.2748 -21.2571 -21.2571 -5.0909 -5.0909 -5.0585 -5.0585 -3.3744 -3.3744 -3.1770 -3.1770 -2.9019 -2.9019 -2.8399 -2.8399 -2.5586 -2.5586 1.4253 1.4253 3.3496 3.3496 4.2472 4.2472 4.7961 4.7961 5.3503 5.3503 5.6547 5.6547 5.7334 5.7334 8.1564 8.1564 8.5074 8.5074 9.2008 9.2008 9.2716 9.2716 k = 0.5133 0.0785-1.0851 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0911 -5.0911 -5.0584 -5.0584 -3.3760 -3.3760 -3.1756 -3.1756 -2.9045 -2.9045 -2.8408 -2.8408 -2.5584 -2.5584 1.4208 1.4208 3.3449 3.3449 4.2544 4.2544 4.7989 4.7989 5.3532 5.3532 5.6812 5.6812 5.7340 5.7340 8.1296 8.1296 8.5067 8.5067 9.1936 9.1936 9.2749 9.2749 k = 0.5066 0.1041-1.0851 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0912 -5.0912 -5.0583 -5.0583 -3.3770 -3.3770 -3.1747 -3.1747 -2.9060 -2.9060 -2.8413 -2.8413 -2.5583 -2.5583 1.4182 1.4182 3.3420 3.3420 4.2586 4.2586 4.8006 4.8006 5.3549 5.3549 5.7013 5.7013 5.7307 5.7307 8.1129 8.1129 8.5064 8.5064 9.1891 9.1891 9.2769 9.2769 k = 0.5000 0.1296-1.0851 ( 5134 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0913 -5.0913 -5.0583 -5.0583 -3.3773 -3.3773 -3.1744 -3.1744 -2.9066 -2.9066 -2.8415 -2.8415 -2.5583 -2.5583 1.4173 1.4173 3.3411 3.3411 4.2600 4.2600 4.8011 4.8011 5.3555 5.3555 5.7108 5.7108 5.7269 5.7269 8.1073 8.1073 8.5063 8.5063 9.1876 9.1876 9.2776 9.2776 k = 0.5000 0.1296-1.0851 ( 5134 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0913 -5.0913 -5.0583 -5.0583 -3.3773 -3.3773 -3.1744 -3.1744 -2.9066 -2.9066 -2.8415 -2.8415 -2.5583 -2.5583 1.4173 1.4173 3.3411 3.3411 4.2600 4.2600 4.8011 4.8011 5.3555 5.3555 5.7108 5.7108 5.7269 5.7269 8.1073 8.1073 8.5063 8.5063 9.1876 9.1876 9.2776 9.2776 k = 0.5227 0.1355-1.0740 ( 5127 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0912 -5.0912 -5.0582 -5.0582 -3.3777 -3.3777 -3.1738 -3.1738 -2.9066 -2.9066 -2.8415 -2.8415 -2.5587 -2.5587 1.4180 1.4180 3.3408 3.3408 4.2545 4.2545 4.8079 4.8079 5.3549 5.3549 5.7001 5.7001 5.7374 5.7374 8.1060 8.1060 8.5089 8.5089 9.1876 9.1876 9.2783 9.2783 k = 0.5454 0.1414-1.0628 ( 5120 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0912 -5.0912 -5.0582 -5.0582 -3.3790 -3.3790 -3.1720 -3.1720 -2.9066 -2.9066 -2.8415 -2.8415 -2.5600 -2.5600 1.4203 1.4203 3.3397 3.3397 4.2392 4.2392 4.8266 4.8266 5.3535 5.3535 5.6836 5.6836 5.7534 5.7534 8.1024 8.1024 8.5167 8.5167 9.1875 9.1875 9.2804 9.2804 k = 0.5682 0.1473-1.0516 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0913 -5.0913 -5.0582 -5.0582 -3.3810 -3.3810 -3.1692 -3.1692 -2.9066 -2.9066 -2.8415 -2.8415 -2.5621 -2.5621 1.4241 1.4241 3.3376 3.3376 4.2174 4.2174 4.8528 4.8528 5.3525 5.3525 5.6660 5.6660 5.7707 5.7707 8.0971 8.0971 8.5288 8.5288 9.1875 9.1875 9.2838 9.2838 k = 0.5909 0.1532-1.0404 ( 5124 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0913 -5.0913 -5.0582 -5.0582 -3.3837 -3.3837 -3.1655 -3.1655 -2.9066 -2.9066 -2.8416 -2.8416 -2.5650 -2.5650 1.4293 1.4293 3.3340 3.3340 4.1929 4.1929 4.8809 4.8809 5.3537 5.3537 5.6477 5.6477 5.7893 5.7893 8.0906 8.0906 8.5443 8.5443 9.1874 9.1874 9.2882 9.2882 k = 0.6136 0.1591-1.0293 ( 5118 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0582 -5.0582 -3.3869 -3.3869 -3.1611 -3.1611 -2.9067 -2.9067 -2.8416 -2.8416 -2.5685 -2.5685 1.4360 1.4360 3.3285 3.3285 4.1690 4.1690 4.9047 4.9047 5.3600 5.3600 5.6294 5.6294 5.8096 5.8096 8.0836 8.0836 8.5621 8.5621 9.1873 9.1873 9.2934 9.2934 k = 0.6363 0.1650-1.0181 ( 5113 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0582 -5.0582 -3.3904 -3.3904 -3.1563 -3.1563 -2.9067 -2.9067 -2.8417 -2.8417 -2.5725 -2.5725 1.4440 1.4440 3.3205 3.3205 4.1486 4.1486 4.9186 4.9186 5.3740 5.3740 5.6114 5.6114 5.8321 5.8321 8.0768 8.0768 8.5811 8.5811 9.1871 9.1871 9.2991 9.2991 k = 0.6590 0.1709-1.0069 ( 5116 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0583 -5.0583 -3.3942 -3.3942 -3.1512 -3.1512 -2.9068 -2.9068 -2.8418 -2.8418 -2.5770 -2.5770 1.4533 1.4533 3.3095 3.3095 4.1334 4.1334 4.9187 4.9187 5.3972 5.3972 5.5948 5.5948 5.8573 5.8573 8.0707 8.0707 8.6006 8.6006 9.1868 9.1868 9.3049 9.3049 k = 0.6590 0.1709-1.0069 ( 5116 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0583 -5.0583 -3.3942 -3.3942 -3.1512 -3.1512 -2.9068 -2.9068 -2.8418 -2.8418 -2.5770 -2.5770 1.4533 1.4533 3.3095 3.3095 4.1334 4.1334 4.9187 4.9187 5.3972 5.3972 5.5948 5.5948 5.8573 5.8573 8.0707 8.0707 8.6006 8.6006 9.1868 9.1868 9.3049 9.3049 k = 0.6552 0.1699-0.9811 ( 5112 PWs) bands (ev): -42.8206 -42.8206 -21.7736 -21.7736 -21.2745 -21.2745 -21.2569 -21.2569 -5.0912 -5.0912 -5.0583 -5.0583 -3.4020 -3.4020 -3.1472 -3.1472 -2.9068 -2.9068 -2.8419 -2.8419 -2.5853 -2.5853 1.4476 1.4476 3.3129 3.3129 4.2024 4.2024 4.9205 4.9205 5.3607 5.3607 5.6034 5.6034 5.8328 5.8328 8.0705 8.0705 8.5981 8.5981 9.1873 9.1873 9.3218 9.3218 k = 0.6515 0.1689-0.9553 ( 5110 PWs) bands (ev): -42.8206 -42.8206 -21.7735 -21.7735 -21.2744 -21.2744 -21.2569 -21.2569 -5.0911 -5.0911 -5.0583 -5.0583 -3.4106 -3.4106 -3.1459 -3.1459 -2.9068 -2.9068 -2.8420 -2.8420 -2.5946 -2.5946 1.4429 1.4429 3.3214 3.3214 4.2693 4.2693 4.9260 4.9260 5.3233 5.3233 5.6154 5.6154 5.8130 5.8130 8.0716 8.0716 8.5976 8.5976 9.1866 9.1866 9.3401 9.3401 k = 0.6477 0.1679-0.9294 ( 5108 PWs) bands (ev): -42.8206 -42.8206 -21.7734 -21.7734 -21.2742 -21.2742 -21.2570 -21.2570 -5.0910 -5.0910 -5.0584 -5.0584 -3.4203 -3.4203 -3.1472 -3.1472 -2.9068 -2.9068 -2.8420 -2.8420 -2.6048 -2.6048 1.4390 1.4390 3.3352 3.3352 4.3321 4.3321 4.9347 4.9347 5.2879 5.2879 5.6290 5.6290 5.7984 5.7984 8.0743 8.0743 8.6001 8.6001 9.1847 9.1847 9.3582 9.3582 k = 0.6439 0.1669-0.9036 ( 5118 PWs) bands (ev): -42.8207 -42.8207 -21.7733 -21.7733 -21.2739 -21.2739 -21.2570 -21.2570 -5.0909 -5.0909 -5.0585 -5.0585 -3.4310 -3.4310 -3.1508 -3.1508 -2.9068 -2.9068 -2.8421 -2.8421 -2.6159 -2.6159 1.4359 1.4359 3.3546 3.3546 4.3888 4.3888 4.9454 4.9454 5.2583 5.2583 5.6422 5.6422 5.7901 5.7901 8.0788 8.0788 8.6062 8.6062 9.1817 9.1817 9.3747 9.3747 k = 0.6401 0.1660-0.8778 ( 5116 PWs) bands (ev): -42.8207 -42.8207 -21.7732 -21.7732 -21.2736 -21.2736 -21.2570 -21.2570 -5.0907 -5.0907 -5.0585 -5.0585 -3.4429 -3.4429 -3.1567 -3.1567 -2.9068 -2.9068 -2.8421 -2.8421 -2.6275 -2.6275 1.4335 1.4335 3.3797 3.3797 4.4373 4.4373 4.9554 4.9554 5.2395 5.2395 5.6531 5.6531 5.7897 5.7897 8.0851 8.0851 8.6165 8.6165 9.1776 9.1776 9.3882 9.3882 k = 0.6363 0.1650-0.8519 ( 5126 PWs) bands (ev): -42.8207 -42.8207 -21.7730 -21.7730 -21.2733 -21.2733 -21.2570 -21.2570 -5.0905 -5.0905 -5.0586 -5.0586 -3.4558 -3.4558 -3.1647 -3.1647 -2.9068 -2.9068 -2.8423 -2.8423 -2.6397 -2.6397 1.4315 1.4315 3.4105 3.4105 4.4758 4.4758 4.9609 4.9609 5.2372 5.2372 5.6597 5.6597 5.7988 5.7988 8.0933 8.0933 8.6314 8.6314 9.1727 9.1727 9.3978 9.3978 k = 0.6325 0.1640-0.8261 ( 5136 PWs) bands (ev): -42.8207 -42.8207 -21.7728 -21.7728 -21.2729 -21.2729 -21.2571 -21.2571 -5.0903 -5.0903 -5.0587 -5.0587 -3.4700 -3.4700 -3.1745 -3.1745 -2.9069 -2.9069 -2.8426 -2.8426 -2.6523 -2.6523 1.4297 1.4297 3.4470 3.4470 4.5030 4.5030 4.9594 4.9594 5.2551 5.2551 5.6618 5.6618 5.8174 5.8174 8.1036 8.1036 8.6513 8.6513 9.1671 9.1671 9.4027 9.4027 k = 0.6287 0.1630-0.8002 ( 5131 PWs) bands (ev): -42.8208 -42.8208 -21.7726 -21.7726 -21.2725 -21.2725 -21.2571 -21.2571 -5.0900 -5.0900 -5.0588 -5.0588 -3.4854 -3.4854 -3.1860 -3.1860 -2.9069 -2.9069 -2.8429 -2.8429 -2.6651 -2.6651 1.4281 1.4281 3.4891 3.4891 4.5184 4.5184 4.9526 4.9526 5.2918 5.2918 5.6608 5.6608 5.8444 5.8444 8.1159 8.1159 8.6764 8.6764 9.1609 9.1609 9.4030 9.4030 k = 0.6249 0.1620-0.7744 ( 5134 PWs) bands (ev): -42.8208 -42.8208 -21.7724 -21.7724 -21.2720 -21.2720 -21.2571 -21.2571 -5.0897 -5.0897 -5.0589 -5.0589 -3.5020 -3.5020 -3.1990 -3.1990 -2.9069 -2.9069 -2.8433 -2.8433 -2.6780 -2.6780 1.4264 1.4264 3.5364 3.5364 4.5223 4.5223 4.9445 4.9445 5.3425 5.3425 5.6584 5.6584 5.8783 5.8783 8.1300 8.1300 8.7069 8.7069 9.1543 9.1543 9.3988 9.3988 k = 0.6212 0.1610-0.7486 ( 5126 PWs) bands (ev): -42.8208 -42.8208 -21.7722 -21.7722 -21.2715 -21.2715 -21.2571 -21.2571 -5.0893 -5.0893 -5.0590 -5.0590 -3.5199 -3.5199 -3.2132 -3.2132 -2.9070 -2.9070 -2.8439 -2.8439 -2.6910 -2.6910 1.4246 1.4246 3.5884 3.5884 4.5162 4.5162 4.9388 4.9388 5.4020 5.4020 5.6563 5.6563 5.9181 5.9181 8.1458 8.1458 8.7429 8.7429 9.1477 9.1477 9.3906 9.3906 k = 0.6174 0.1601-0.7227 ( 5120 PWs) bands (ev): -42.8209 -42.8209 -21.7719 -21.7719 -21.2709 -21.2709 -21.2571 -21.2571 -5.0890 -5.0890 -5.0590 -5.0590 -3.5390 -3.5390 -3.2285 -3.2285 -2.9070 -2.9070 -2.8446 -2.8446 -2.7037 -2.7037 1.4225 1.4225 3.6443 3.6443 4.5023 4.5023 4.9371 4.9371 5.4654 5.4654 5.6560 5.6560 5.9635 5.9635 8.1629 8.1629 8.7843 8.7843 9.1411 9.1411 9.3794 9.3794 k = 0.6136 0.1591-0.6969 ( 5122 PWs) bands (ev): -42.8209 -42.8209 -21.7716 -21.7716 -21.2704 -21.2704 -21.2572 -21.2572 -5.0886 -5.0886 -5.0591 -5.0591 -3.5592 -3.5592 -3.2448 -3.2448 -2.9071 -2.9071 -2.8455 -2.8455 -2.7163 -2.7163 1.4201 1.4201 3.7028 3.7028 4.4838 4.4838 4.9398 4.9398 5.5266 5.5266 5.6613 5.6613 6.0145 6.0145 8.1812 8.1812 8.8305 8.8305 9.1352 9.1352 9.3660 9.3660 k = 0.6098 0.1581-0.6711 ( 5114 PWs) bands (ev): -42.8210 -42.8210 -21.7714 -21.7714 -21.2698 -21.2698 -21.2572 -21.2572 -5.0882 -5.0882 -5.0591 -5.0591 -3.5806 -3.5806 -3.2617 -3.2617 -2.9073 -2.9073 -2.8465 -2.8465 -2.7286 -2.7286 1.4174 1.4174 3.7619 3.7619 4.4645 4.4645 4.9464 4.9464 5.5743 5.5743 5.6815 5.6815 6.0712 6.0712 8.2003 8.2003 8.8804 8.8804 9.1305 9.1305 9.3515 9.3515 k = 0.6060 0.1571-0.6452 ( 5107 PWs) bands (ev): -42.8210 -42.8210 -21.7711 -21.7711 -21.2692 -21.2692 -21.2572 -21.2572 -5.0878 -5.0878 -5.0591 -5.0591 -3.6029 -3.6029 -3.2793 -3.2793 -2.9074 -2.9074 -2.8476 -2.8476 -2.7404 -2.7404 1.4143 1.4143 3.8185 3.8185 4.4490 4.4490 4.9563 4.9563 5.5976 5.5976 5.7262 5.7262 6.1337 6.1337 8.2200 8.2200 8.9316 8.9316 9.1288 9.1288 9.3374 9.3374 k = 0.6022 0.1561-0.6194 ( 5110 PWs) bands (ev): -42.8211 -42.8211 -21.7708 -21.7708 -21.2685 -21.2685 -21.2572 -21.2572 -5.0874 -5.0874 -5.0591 -5.0591 -3.6262 -3.6262 -3.2974 -3.2974 -2.9076 -2.9076 -2.8488 -2.8488 -2.7517 -2.7517 1.4108 1.4108 3.8683 3.8683 4.4430 4.4430 4.9688 4.9688 5.6050 5.6050 5.7858 5.7858 6.2019 6.2019 8.2401 8.2401 8.9786 8.9786 9.1331 9.1331 9.3262 9.3262 k = 0.5984 0.1552-0.5935 ( 5117 PWs) bands (ev): -42.8211 -42.8211 -21.7705 -21.7705 -21.2679 -21.2679 -21.2572 -21.2572 -5.0870 -5.0870 -5.0591 -5.0591 -3.6502 -3.6502 -3.3159 -3.3159 -2.9079 -2.9079 -2.8501 -2.8501 -2.7625 -2.7625 1.4070 1.4070 3.9057 3.9057 4.4526 4.4526 4.9835 4.9835 5.6069 5.6069 5.8497 5.8497 6.2757 6.2757 8.2603 8.2603 9.0123 9.0123 9.1473 9.1473 9.3232 9.3232 k = 0.5947 0.1542-0.5677 ( 5115 PWs) bands (ev): -42.8212 -42.8212 -21.7702 -21.7702 -21.2672 -21.2672 -21.2573 -21.2573 -5.0866 -5.0866 -5.0591 -5.0591 -3.6749 -3.6749 -3.3346 -3.3346 -2.9082 -2.9082 -2.8514 -2.8514 -2.7727 -2.7727 1.4028 1.4028 3.9261 3.9261 4.4830 4.4830 5.0000 5.0000 5.6070 5.6070 5.9139 5.9139 6.3546 6.3546 8.2805 8.2805 9.0275 9.0275 9.1660 9.1660 9.3387 9.3387 k = 0.5909 0.1532-0.5419 ( 5118 PWs) bands (ev): -42.8212 -42.8212 -21.7699 -21.7699 -21.2666 -21.2666 -21.2573 -21.2573 -5.0862 -5.0862 -5.0590 -5.0590 -3.7000 -3.7000 -3.3534 -3.3534 -2.9086 -2.9086 -2.8528 -2.8528 -2.7824 -2.7824 1.3984 1.3984 3.9286 3.9286 4.5355 4.5355 5.0180 5.0180 5.6066 5.6066 5.9775 5.9775 6.4379 6.4379 8.3006 8.3006 9.0296 9.0296 9.1739 9.1739 9.3821 9.3821 k = 0.5871 0.1522-0.5160 ( 5115 PWs) bands (ev): -42.8213 -42.8213 -21.7696 -21.7696 -21.2659 -21.2659 -21.2573 -21.2573 -5.0858 -5.0858 -5.0589 -5.0589 -3.7255 -3.7255 -3.3723 -3.3723 -2.9090 -2.9090 -2.8542 -2.8542 -2.7913 -2.7913 1.3937 1.3937 3.9161 3.9161 4.6069 4.6069 5.0375 5.0375 5.6061 5.6061 6.0402 6.0402 6.5250 6.5250 8.3204 8.3204 9.0248 9.0248 9.1686 9.1686 9.4490 9.4490 k = 0.5833 0.1512-0.4902 ( 5121 PWs) bands (ev): -42.8213 -42.8213 -21.7693 -21.7693 -21.2652 -21.2652 -21.2573 -21.2573 -5.0855 -5.0855 -5.0587 -5.0587 -3.7512 -3.7512 -3.3911 -3.3911 -2.9096 -2.9096 -2.8557 -2.8557 -2.7997 -2.7997 1.3888 1.3888 3.8930 3.8930 4.6928 4.6928 5.0584 5.0584 5.6057 5.6057 6.1024 6.1024 6.6150 6.6150 8.3399 8.3399 9.0162 9.0162 9.1559 9.1559 9.5292 9.5292 k = 0.5795 0.1503-0.4644 ( 5115 PWs) bands (ev): -42.8214 -42.8214 -21.7689 -21.7689 -21.2645 -21.2645 -21.2573 -21.2573 -5.0851 -5.0851 -5.0585 -5.0585 -3.7769 -3.7769 -3.4098 -3.4098 -2.9102 -2.9102 -2.8570 -2.8570 -2.8074 -2.8074 1.3838 1.3838 3.8632 3.8632 4.7885 4.7885 5.0810 5.0810 5.6058 5.6058 6.1642 6.1642 6.7073 6.7073 8.3590 8.3590 9.0051 9.0051 9.1396 9.1396 9.6161 9.6161 k = 0.5757 0.1493-0.4385 ( 5116 PWs) bands (ev): -42.8214 -42.8214 -21.7686 -21.7686 -21.2639 -21.2639 -21.2573 -21.2573 -5.0847 -5.0847 -5.0583 -5.0583 -3.8025 -3.8025 -3.4283 -3.4283 -2.9109 -2.9109 -2.8583 -2.8583 -2.8144 -2.8144 1.3787 1.3787 3.8295 3.8295 4.8897 4.8897 5.1068 5.1068 5.6062 5.6062 6.2260 6.2260 6.8012 6.8012 8.3776 8.3776 8.9920 8.9920 9.1217 9.1217 9.7053 9.7053 k = 0.5719 0.1483-0.4127 ( 5119 PWs) bands (ev): -42.8215 -42.8215 -21.7683 -21.7683 -21.2632 -21.2632 -21.2574 -21.2574 -5.0844 -5.0844 -5.0580 -5.0580 -3.8278 -3.8278 -3.4465 -3.4465 -2.9117 -2.9117 -2.8596 -2.8596 -2.8209 -2.8209 1.3735 1.3735 3.7937 3.7937 4.9897 4.9897 5.1401 5.1401 5.6071 5.6071 6.2880 6.2880 6.8963 6.8963 8.3957 8.3957 8.9771 8.9771 9.1030 9.1030 9.7934 9.7934 k = 0.5682 0.1473-0.3869 ( 5121 PWs) bands (ev): -42.8215 -42.8215 -21.7680 -21.7680 -21.2626 -21.2626 -21.2574 -21.2574 -5.0842 -5.0842 -5.0577 -5.0577 -3.8527 -3.8527 -3.4642 -3.4642 -2.9127 -2.9127 -2.8608 -2.8608 -2.8268 -2.8268 1.3684 1.3684 3.7569 3.7569 5.0719 5.0719 5.1958 5.1958 5.6086 5.6086 6.3504 6.3504 6.9920 6.9920 8.4131 8.4131 8.9603 8.9603 9.0840 9.0840 9.8765 9.8765 k = 0.5644 0.1463-0.3610 ( 5118 PWs) bands (ev): -42.8216 -42.8216 -21.7677 -21.7677 -21.2619 -21.2619 -21.2573 -21.2573 -5.0839 -5.0839 -5.0573 -5.0573 -3.8770 -3.8770 -3.4815 -3.4815 -2.9137 -2.9137 -2.8618 -2.8618 -2.8322 -2.8322 1.3633 1.3633 3.7201 3.7201 5.1210 5.1210 5.2877 5.2877 5.6106 5.6106 6.4134 6.4134 7.0879 7.0879 8.4299 8.4299 8.9416 8.9416 9.0648 9.0648 9.9501 9.9501 k = 0.5606 0.1453-0.3352 ( 5118 PWs) bands (ev): -42.8216 -42.8216 -21.7675 -21.7675 -21.2613 -21.2613 -21.2573 -21.2573 -5.0837 -5.0837 -5.0569 -5.0569 -3.9006 -3.9006 -3.4983 -3.4983 -2.9148 -2.9148 -2.8628 -2.8628 -2.8370 -2.8370 1.3582 1.3582 3.6839 3.6839 5.1516 5.1516 5.3999 5.3999 5.6134 5.6134 6.4772 6.4772 7.1835 7.1835 8.4460 8.4460 8.9208 8.9208 9.0457 9.0457 10.0087 10.0087 k = 0.5568 0.1444-0.3093 ( 5114 PWs) bands (ev): -42.8217 -42.8217 -21.7672 -21.7672 -21.2608 -21.2608 -21.2573 -21.2573 -5.0835 -5.0835 -5.0564 -5.0564 -3.9234 -3.9234 -3.5144 -3.5144 -2.9160 -2.9160 -2.8636 -2.8636 -2.8413 -2.8413 1.3533 1.3533 3.6487 3.6487 5.1757 5.1757 5.5190 5.5190 5.6171 5.6171 6.5420 6.5420 7.2785 7.2785 8.4612 8.4612 8.8978 8.8978 9.0268 9.0268 10.0477 10.0477 k = 0.5530 0.1434-0.2835 ( 5119 PWs) bands (ev): -42.8217 -42.8217 -21.7669 -21.7669 -21.2603 -21.2603 -21.2572 -21.2572 -5.0833 -5.0833 -5.0559 -5.0559 -3.9453 -3.9453 -3.5299 -3.5299 -2.9172 -2.9172 -2.8643 -2.8643 -2.8452 -2.8452 1.3486 1.3486 3.6147 3.6147 5.1968 5.1968 5.6174 5.6174 5.6446 5.6446 6.6079 6.6079 7.3724 7.3724 8.4756 8.4756 8.8726 8.8726 9.0080 9.0080 10.0665 10.0665 k = 0.5492 0.1424-0.2577 ( 5123 PWs) bands (ev): -42.8218 -42.8218 -21.7667 -21.7667 -21.2598 -21.2598 -21.2571 -21.2571 -5.0832 -5.0832 -5.0554 -5.0554 -3.9661 -3.9661 -3.5445 -3.5445 -2.9185 -2.9185 -2.8649 -2.8649 -2.8487 -2.8487 1.3441 1.3441 3.5824 3.5824 5.2158 5.2158 5.6244 5.6244 5.7644 5.7644 6.6750 6.6750 7.4648 7.4648 8.4889 8.4889 8.8453 8.8453 8.9894 8.9894 10.0701 10.0701 k = 0.5454 0.1414-0.2318 ( 5121 PWs) bands (ev): -42.8218 -42.8218 -21.7664 -21.7664 -21.2594 -21.2594 -21.2570 -21.2570 -5.0831 -5.0831 -5.0549 -5.0549 -3.9858 -3.9858 -3.5584 -3.5584 -2.9198 -2.9198 -2.8654 -2.8654 -2.8518 -2.8518 1.3398 1.3398 3.5518 3.5518 5.2332 5.2332 5.6299 5.6299 5.8849 5.8849 6.7436 6.7436 7.5553 7.5553 8.5010 8.5010 8.8159 8.8159 8.9709 8.9709 10.0643 10.0643 k = 0.5416 0.1404-0.2060 ( 5118 PWs) bands (ev): -42.8219 -42.8219 -21.7662 -21.7662 -21.2591 -21.2591 -21.2568 -21.2568 -5.0830 -5.0830 -5.0544 -5.0544 -4.0043 -4.0043 -3.5713 -3.5713 -2.9211 -2.9211 -2.8658 -2.8658 -2.8545 -2.8545 1.3357 1.3357 3.5232 3.5232 5.2490 5.2490 5.6357 5.6357 6.0025 6.0025 6.8140 6.8140 7.6434 7.6434 8.5119 8.5119 8.7848 8.7848 8.9524 8.9524 10.0528 10.0528 k = 0.5379 0.1395-0.1802 ( 5110 PWs) bands (ev): -42.8219 -42.8219 -21.7660 -21.7660 -21.2588 -21.2588 -21.2566 -21.2566 -5.0829 -5.0829 -5.0538 -5.0538 -4.0215 -4.0215 -3.5833 -3.5833 -2.9223 -2.9223 -2.8661 -2.8661 -2.8569 -2.8569 1.3320 1.3320 3.4967 3.4967 5.2632 5.2632 5.6419 5.6419 6.1156 6.1156 6.8861 6.8861 7.7287 7.7287 8.5212 8.5212 8.7525 8.7525 8.9337 8.9337 10.0372 10.0372 k = 0.5341 0.1385-0.1543 ( 5106 PWs) bands (ev): -42.8219 -42.8219 -21.7658 -21.7658 -21.2586 -21.2586 -21.2563 -21.2563 -5.0828 -5.0828 -5.0533 -5.0533 -4.0372 -4.0372 -3.5943 -3.5943 -2.9235 -2.9235 -2.8664 -2.8664 -2.8590 -2.8590 1.3285 1.3285 3.4724 3.4724 5.2758 5.2758 5.6484 5.6484 6.2224 6.2224 6.9602 6.9602 7.8105 7.8105 8.5288 8.5288 8.7192 8.7192 8.9148 8.9148 10.0183 10.0183 k = 0.5303 0.1375-0.1285 ( 5105 PWs) bands (ev): -42.8220 -42.8220 -21.7656 -21.7656 -21.2585 -21.2585 -21.2561 -21.2561 -5.0828 -5.0828 -5.0527 -5.0527 -4.0515 -4.0515 -3.6043 -3.6043 -2.9246 -2.9246 -2.8666 -2.8666 -2.8608 -2.8608 1.3254 1.3254 3.4504 3.4504 5.2869 5.2869 5.6551 5.6551 6.3215 6.3215 7.0359 7.0359 7.8884 7.8884 8.5343 8.5343 8.6856 8.6856 8.8959 8.8959 9.9960 9.9960 k = 0.5265 0.1365-0.1027 ( 5103 PWs) bands (ev): -42.8220 -42.8220 -21.7655 -21.7655 -21.2584 -21.2584 -21.2558 -21.2558 -5.0827 -5.0827 -5.0523 -5.0523 -4.0643 -4.0643 -3.6132 -3.6132 -2.9256 -2.9256 -2.8668 -2.8668 -2.8623 -2.8623 1.3226 1.3226 3.4309 3.4309 5.2965 5.2965 5.6616 5.6616 6.4113 6.4113 7.1127 7.1127 7.9616 7.9616 8.5373 8.5373 8.6524 8.6524 8.8771 8.8771 9.9703 9.9703 k = 0.5227 0.1355-0.0768 ( 5101 PWs) bands (ev): -42.8220 -42.8220 -21.7653 -21.7653 -21.2584 -21.2584 -21.2556 -21.2556 -5.0827 -5.0827 -5.0518 -5.0518 -4.0755 -4.0755 -3.6210 -3.6210 -2.9265 -2.9265 -2.8671 -2.8671 -2.8635 -2.8635 1.3201 1.3201 3.4138 3.4138 5.3046 5.3046 5.6678 5.6678 6.4906 6.4906 7.1892 7.1892 8.0295 8.0295 8.5377 8.5377 8.6202 8.6202 8.8588 8.8588 9.9415 9.9415 k = 0.5189 0.1345-0.0510 ( 5100 PWs) bands (ev): -42.8220 -42.8220 -21.7652 -21.7652 -21.2583 -21.2583 -21.2553 -21.2553 -5.0827 -5.0827 -5.0514 -5.0514 -4.0850 -4.0850 -3.6277 -3.6277 -2.9273 -2.9273 -2.8673 -2.8673 -2.8644 -2.8644 1.3180 1.3180 3.3992 3.3992 5.3113 5.3113 5.6736 5.6736 6.5585 6.5585 7.2634 7.2634 8.0912 8.0912 8.5351 8.5351 8.5897 8.5897 8.8417 8.8417 9.9103 9.9103 k = 0.5151 0.1336-0.0251 ( 5098 PWs) bands (ev): -42.8221 -42.8221 -21.7651 -21.7651 -21.2583 -21.2583 -21.2551 -21.2551 -5.0827 -5.0827 -5.0511 -5.0511 -4.0929 -4.0929 -3.6331 -3.6331 -2.9279 -2.9279 -2.8676 -2.8676 -2.8650 -2.8650 1.3163 1.3163 3.3873 3.3873 5.3166 5.3166 5.6786 5.6786 6.6145 6.6145 7.3324 7.3324 8.1457 8.1457 8.5295 8.5295 8.5620 8.5620 8.8265 8.8265 9.8787 9.8787 k = 0.5114 0.1326 0.0007 ( 5092 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2550 -21.2550 -5.0827 -5.0827 -5.0508 -5.0508 -4.0990 -4.0990 -3.6374 -3.6374 -2.9284 -2.9284 -2.8680 -2.8680 -2.8654 -2.8654 1.3149 1.3149 3.3779 3.3779 5.3207 5.3207 5.6827 5.6827 6.6582 6.6582 7.3925 7.3925 8.1918 8.1918 8.5218 8.5218 8.5381 8.5381 8.8140 8.8140 9.8492 9.8492 k = 0.5076 0.1316 0.0265 ( 5090 PWs) bands (ev): -42.8221 -42.8221 -21.7650 -21.7650 -21.2583 -21.2583 -21.2549 -21.2549 -5.0827 -5.0827 -5.0506 -5.0506 -4.1034 -4.1034 -3.6405 -3.6405 -2.9288 -2.9288 -2.8683 -2.8683 -2.8656 -2.8656 1.3139 1.3139 3.3712 3.3712 5.3236 5.3236 5.6857 5.6857 6.6895 6.6895 7.4396 7.4396 8.2275 8.2275 8.5131 8.5131 8.5196 8.5196 8.8047 8.8047 9.8252 9.8252 k = 0.5038 0.1306 0.0524 ( 5085 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2582 -21.2582 -21.2548 -21.2548 -5.0827 -5.0827 -5.0505 -5.0505 -4.1061 -4.1061 -3.6423 -3.6423 -2.9290 -2.9290 -2.8685 -2.8685 -2.8657 -2.8657 1.3133 1.3133 3.3672 3.3672 5.3253 5.3253 5.6876 5.6876 6.7083 6.7083 7.4699 7.4699 8.2507 8.2507 8.5053 8.5053 8.5083 8.5083 8.7990 8.7990 9.8094 9.8094 k = 0.5000 0.1296 0.0782 ( 5092 PWs) bands (ev): -42.8221 -42.8221 -21.7649 -21.7649 -21.2583 -21.2583 -21.2548 -21.2548 -5.0827 -5.0827 -5.0504 -5.0504 -4.1070 -4.1070 -3.6429 -3.6429 -2.9291 -2.9291 -2.8685 -2.8685 -2.8657 -2.8657 1.3131 1.3131 3.3658 3.3658 5.3259 5.3259 5.6882 5.6882 6.7145 6.7145 7.4804 7.4804 8.2588 8.2588 8.5018 8.5018 8.5050 8.5050 8.7971 8.7971 9.8038 9.8038 k = 0.5000-0.8994-0.5426 ( 5126 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3922 -3.3922 -3.1469 -3.1469 -2.9071 -2.9071 -2.8421 -2.8421 -2.5804 -2.5804 1.6668 1.6668 2.9391 2.9391 4.2473 4.2473 4.3435 4.3435 5.3952 5.3952 5.8444 5.8444 6.5585 6.5585 8.0217 8.0217 8.7108 8.7108 9.1600 9.1600 9.2896 9.2896 k = 0.5227-0.8902-0.5370 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0909 -5.0909 -5.0583 -5.0583 -3.3923 -3.3923 -3.1468 -3.1468 -2.9071 -2.9071 -2.8421 -2.8421 -2.5805 -2.5805 1.6645 1.6645 2.9432 2.9432 4.2291 4.2291 4.3638 4.3638 5.3960 5.3960 5.8427 5.8427 6.5513 6.5513 8.0223 8.0223 8.7113 8.7113 9.1603 9.1603 9.2898 9.2898 k = 0.5454-0.8809-0.5314 ( 5128 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0909 -5.0909 -5.0583 -5.0583 -3.3925 -3.3925 -3.1465 -3.1465 -2.9071 -2.9071 -2.8421 -2.8421 -2.5805 -2.5805 1.6580 1.6580 2.9554 2.9554 4.1942 4.1942 4.4051 4.4051 5.3986 5.3986 5.8376 5.8376 6.5302 6.5302 8.0238 8.0238 8.7124 8.7124 9.1613 9.1613 9.2903 9.2903 k = 0.5682-0.8716-0.5258 ( 5123 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3928 -3.3928 -3.1462 -3.1462 -2.9070 -2.9070 -2.8421 -2.8421 -2.5806 -2.5806 1.6475 1.6475 2.9749 2.9749 4.1575 4.1575 4.4527 4.4527 5.4028 5.4028 5.8290 5.8290 6.4961 6.4961 8.0263 8.0263 8.7137 8.7137 9.1628 9.1628 9.2911 9.2911 k = 0.5909-0.8624-0.5202 ( 5119 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0583 -5.0583 -3.3931 -3.3931 -3.1457 -3.1457 -2.9070 -2.9070 -2.8421 -2.8421 -2.5807 -2.5807 1.6336 1.6336 3.0010 3.0010 4.1226 4.1226 4.5029 4.5029 5.4087 5.4087 5.8168 5.8168 6.4505 6.4505 8.0293 8.0293 8.7145 8.7145 9.1648 9.1648 9.2921 9.2921 k = 0.6136-0.8531-0.5146 ( 5112 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0909 -5.0909 -5.0582 -5.0582 -3.3936 -3.3936 -3.1452 -3.1452 -2.9070 -2.9070 -2.8420 -2.8420 -2.5809 -2.5809 1.6171 1.6171 3.0325 3.0325 4.0914 4.0914 4.5542 4.5542 5.4163 5.4163 5.8009 5.8009 6.3952 6.3952 8.0328 8.0328 8.7141 8.7141 9.1673 9.1673 9.2932 9.2932 k = 0.6363-0.8439-0.5091 ( 5118 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2569 -21.2569 -5.0910 -5.0910 -5.0583 -5.0583 -3.3940 -3.3940 -3.1447 -3.1447 -2.9070 -2.9070 -2.8420 -2.8420 -2.5810 -2.5810 1.5985 1.5985 3.0680 3.0680 4.0650 4.0650 4.6058 4.6058 5.4254 5.4254 5.7808 5.7808 6.3326 6.3326 8.0365 8.0365 8.7118 8.7118 9.1699 9.1699 9.2945 9.2945 k = 0.6590-0.8346-0.5035 ( 5127 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0910 -5.0910 -5.0583 -5.0583 -3.3945 -3.3945 -3.1443 -3.1443 -2.9070 -2.9070 -2.8420 -2.8420 -2.5810 -2.5810 1.5788 1.5788 3.1059 3.1059 4.0442 4.0442 4.6569 4.6569 5.4359 5.4359 5.7562 5.7562 6.2650 6.2650 8.0402 8.0402 8.7070 8.7070 9.1727 9.1727 9.2959 9.2959 k = 0.6817-0.8254-0.4979 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0911 -5.0911 -5.0583 -5.0583 -3.3949 -3.3949 -3.1441 -3.1441 -2.9070 -2.9070 -2.8420 -2.8420 -2.5809 -2.5809 1.5585 1.5585 3.1446 3.1446 4.0304 4.0304 4.7070 4.7070 5.4478 5.4478 5.7267 5.7267 6.1951 6.1951 8.0440 8.0440 8.6993 8.6993 9.1755 9.1755 9.2973 9.2973 k = 0.7045-0.8161-0.4923 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2748 -21.2748 -21.2570 -21.2570 -5.0911 -5.0911 -5.0583 -5.0583 -3.3952 -3.3952 -3.1442 -3.1442 -2.9069 -2.9069 -2.8420 -2.8420 -2.5808 -2.5808 1.5382 1.5382 3.1823 3.1823 4.0244 4.0244 4.7552 4.7552 5.4603 5.4603 5.6920 5.6920 6.1257 6.1257 8.0479 8.0479 8.6886 8.6886 9.1782 9.1782 9.2987 9.2987 k = 0.7272-0.8068-0.4867 ( 5130 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2570 -21.2570 -5.0912 -5.0912 -5.0583 -5.0583 -3.3954 -3.3954 -3.1446 -3.1446 -2.9069 -2.9069 -2.8419 -2.8419 -2.5804 -2.5804 1.5185 1.5185 3.2172 3.2172 4.0275 4.0275 4.8005 4.8005 5.4723 5.4723 5.6527 5.6527 6.0597 6.0597 8.0519 8.0519 8.6752 8.6752 9.1806 9.1806 9.3000 9.3000 k = 0.7499-0.7976-0.4811 ( 5132 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2570 -21.2570 -5.0912 -5.0912 -5.0583 -5.0583 -3.3954 -3.3954 -3.1454 -3.1454 -2.9069 -2.9069 -2.8419 -2.8419 -2.5799 -2.5799 1.4998 1.4998 3.2480 3.2480 4.0402 4.0402 4.8417 4.8417 5.4799 5.4799 5.6127 5.6127 5.9991 5.9991 8.0561 8.0561 8.6591 8.6591 9.1827 9.1827 9.3013 9.3013 k = 0.7726-0.7883-0.4755 ( 5122 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2570 -21.2570 -5.0912 -5.0912 -5.0583 -5.0583 -3.3953 -3.3953 -3.1468 -3.1468 -2.9068 -2.9068 -2.8419 -2.8419 -2.5792 -2.5792 1.4826 1.4826 3.2738 3.2738 4.0626 4.0626 4.8770 4.8770 5.4724 5.4724 5.5845 5.5845 5.9453 5.9453 8.0606 8.0606 8.6410 8.6410 9.1845 9.1845 9.3026 9.3026 k = 0.7953-0.7791-0.4700 ( 5115 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0583 -5.0583 -3.3949 -3.3949 -3.1487 -3.1487 -2.9068 -2.9068 -2.8418 -2.8418 -2.5782 -2.5782 1.4670 1.4670 3.2942 3.2942 4.0942 4.0942 4.9039 4.9039 5.4403 5.4403 5.5812 5.5812 5.8983 5.8983 8.0654 8.0654 8.6213 8.6213 9.1859 9.1859 9.3038 9.3038 k = 0.8181-0.7698-0.4644 ( 5116 PWs) bands (ev): -42.8206 -42.8206 -21.7737 -21.7737 -21.2747 -21.2747 -21.2569 -21.2569 -5.0912 -5.0912 -5.0583 -5.0583 -3.3942 -3.3942 -3.1512 -3.1512 -2.9068 -2.9068 -2.8418 -2.8418 -2.5770 -2.5770 1.4533 1.4533 3.3095 3.3095 4.1334 4.1334 4.9187 4.9187 5.3972 5.3972 5.5948 5.5948 5.8573 5.8573 8.0707 8.0707 8.6006 8.6006 9.1868 9.1868 9.3049 9.3049 Writing output data file ScTlTe2.save init_run : 0.72s CPU 0.87s WALL ( 1 calls) electrons : 326.87s CPU 329.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 326.86s CPU 329.78s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.16s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 287 calls) cegterg : 297.48s CPU 299.46s WALL ( 392 calls) Called by sum_band: Called by *egterg: h_psi : 265.21s CPU 266.92s WALL ( 7022 calls) s_psi : 4.53s CPU 4.53s WALL ( 7022 calls) g_psi : 0.20s CPU 0.23s WALL ( 6343 calls) cdiaghg : 38.96s CPU 39.42s WALL ( 6630 calls) cegterg:over : 5.16s CPU 5.40s WALL ( 6343 calls) cegterg:upda : 5.50s CPU 5.45s WALL ( 6343 calls) cegterg:last : 2.48s CPU 2.48s WALL ( 1189 calls) cdiaghg:chol : 2.32s CPU 2.33s WALL ( 6630 calls) cdiaghg:inve : 1.29s CPU 1.32s WALL ( 6630 calls) cdiaghg:para : 2.34s CPU 2.35s WALL ( 13260 calls) Called by h_psi: h_psi:vloc : 254.87s CPU 256.64s WALL ( 7022 calls) h_psi:vnl : 10.11s CPU 10.08s WALL ( 7022 calls) add_vuspsi : 5.33s CPU 5.17s WALL ( 7022 calls) General routines calbec : 4.76s CPU 4.89s WALL ( 7022 calls) fft : 0.04s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 235.82s CPU 237.10s WALL ( 627468 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 574 calls) Parallel routines fft_scatter : 43.57s CPU 43.44s WALL ( 627491 calls) PWSCF : 5m42.60s CPU 6m13.22s WALL This run was terminated on: 21:32:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=