Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 6:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./SnP3.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 59 45 13 2062 1380 214 Max 60 46 14 2065 1399 217 Sum 2149 1641 479 74295 50039 7731 bravais-lattice index = 14 lattice parameter (alat) = 10.4238 a.u. unit-cell volume = 1114.9312 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.423788 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.105351 celldm(5)= 0.105351 celldm(6)= 0.105351 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.105351 0.994435 0.000000 ) a(3) = ( 0.105351 0.094780 0.989908 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.105941 -0.096282 ) b(2) = ( 0.000000 1.005596 -0.096282 ) b(3) = ( 0.000000 0.000000 1.010195 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Sn 14.00 118.71000 Sn( 1.00) P 5.00 30.97380 P( 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= 236 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0172414 -0.0018266 -0.0016600), wk = 0.0042373 k( 3) = ( 0.0344828 -0.0036531 -0.0033201), wk = 0.0042373 k( 4) = ( 0.0517241 -0.0054797 -0.0049801), wk = 0.0042373 k( 5) = ( 0.0689655 -0.0073062 -0.0066401), wk = 0.0042373 k( 6) = ( 0.0862069 -0.0091328 -0.0083001), wk = 0.0042373 k( 7) = ( 0.1034483 -0.0109594 -0.0099602), wk = 0.0042373 k( 8) = ( 0.1206897 -0.0127859 -0.0116202), wk = 0.0042373 k( 9) = ( 0.1379310 -0.0146125 -0.0132802), wk = 0.0042373 k( 10) = ( 0.1551724 -0.0164391 -0.0149403), wk = 0.0042373 k( 11) = ( 0.1724138 -0.0182656 -0.0166003), wk = 0.0042373 k( 12) = ( 0.1896552 -0.0200922 -0.0182603), wk = 0.0042373 k( 13) = ( 0.2068966 -0.0219187 -0.0199203), wk = 0.0042373 k( 14) = ( 0.2241379 -0.0237453 -0.0215804), wk = 0.0042373 k( 15) = ( 0.2413793 -0.0255719 -0.0232404), wk = 0.0042373 k( 16) = ( 0.2586207 -0.0273984 -0.0249004), wk = 0.0042373 k( 17) = ( 0.2758621 -0.0292250 -0.0265605), wk = 0.0042373 k( 18) = ( 0.2931034 -0.0310515 -0.0282205), wk = 0.0042373 k( 19) = ( 0.3103448 -0.0328781 -0.0298805), wk = 0.0042373 k( 20) = ( 0.3275862 -0.0347047 -0.0315405), wk = 0.0042373 k( 21) = ( 0.3448276 -0.0365312 -0.0332006), wk = 0.0042373 k( 22) = ( 0.3620690 -0.0383578 -0.0348606), wk = 0.0042373 k( 23) = ( 0.3793103 -0.0401844 -0.0365206), wk = 0.0042373 k( 24) = ( 0.3965517 -0.0420109 -0.0381807), wk = 0.0042373 k( 25) = ( 0.4137931 -0.0438375 -0.0398407), wk = 0.0042373 k( 26) = ( 0.4310345 -0.0456640 -0.0415007), wk = 0.0042373 k( 27) = ( 0.4482759 -0.0474906 -0.0431608), wk = 0.0042373 k( 28) = ( 0.4655172 -0.0493172 -0.0448208), wk = 0.0042373 k( 29) = ( 0.4827586 -0.0511437 -0.0464808), wk = 0.0042373 k( 30) = ( 0.5000000 -0.0529703 -0.0481408), wk = 0.0042373 k( 31) = ( 0.5000000 -0.0529703 -0.0481408), wk = 0.0042373 k( 32) = ( 0.5000000 -0.0414343 -0.0608341), wk = 0.0042373 k( 33) = ( 0.5000000 -0.0298984 -0.0735273), wk = 0.0042373 k( 34) = ( 0.5000000 -0.0183624 -0.0862205), wk = 0.0042373 k( 35) = ( 0.5000000 -0.0068264 -0.0989138), wk = 0.0042373 k( 36) = ( 0.5000000 0.0047095 -0.1116070), wk = 0.0042373 k( 37) = ( 0.5000000 0.0162455 -0.1243003), wk = 0.0042373 k( 38) = ( 0.5000000 0.0277814 -0.1369935), wk = 0.0042373 k( 39) = ( 0.5000000 0.0393174 -0.1496867), wk = 0.0042373 k( 40) = ( 0.5000000 0.0508534 -0.1623800), wk = 0.0042373 k( 41) = ( 0.5000000 0.0623893 -0.1750732), wk = 0.0042373 k( 42) = ( 0.5000000 0.0739253 -0.1877665), wk = 0.0042373 k( 43) = ( 0.5000000 0.0854613 -0.2004597), wk = 0.0042373 k( 44) = ( 0.5000000 0.0969972 -0.2131529), wk = 0.0042373 k( 45) = ( 0.5000000 0.1085332 -0.2258462), wk = 0.0042373 k( 46) = ( 0.5000000 0.1200691 -0.2385394), wk = 0.0042373 k( 47) = ( 0.5000000 0.1316051 -0.2512327), wk = 0.0042373 k( 48) = ( 0.5000000 0.1431411 -0.2639259), wk = 0.0042373 k( 49) = ( 0.5000000 0.1546770 -0.2766191), wk = 0.0042373 k( 50) = ( 0.5000000 0.1662130 -0.2893124), wk = 0.0042373 k( 51) = ( 0.5000000 0.1777489 -0.3020056), wk = 0.0042373 k( 52) = ( 0.5000000 0.1892849 -0.3146988), wk = 0.0042373 k( 53) = ( 0.5000000 0.2008209 -0.3273921), wk = 0.0042373 k( 54) = ( 0.5000000 0.2123568 -0.3400853), wk = 0.0042373 k( 55) = ( 0.5000000 0.2238928 -0.3527786), wk = 0.0042373 k( 56) = ( 0.5000000 0.2354288 -0.3654718), wk = 0.0042373 k( 57) = ( 0.5000000 0.2469647 -0.3781650), wk = 0.0042373 k( 58) = ( 0.5000000 0.2585007 -0.3908583), wk = 0.0042373 k( 59) = ( 0.5000000 0.2700366 -0.4035515), wk = 0.0042373 k( 60) = ( 0.5000000 0.2815726 -0.4162447), wk = 0.0042373 k( 61) = ( 0.5000000 0.2931086 -0.4289380), wk = 0.0042373 k( 62) = ( 0.5000000 0.3046445 -0.4416312), wk = 0.0042373 k( 63) = ( 0.5000000 0.3161805 -0.4543245), wk = 0.0042373 k( 64) = ( 0.5000000 0.3277164 -0.4670177), wk = 0.0042373 k( 65) = ( 0.5000000 0.3392524 -0.4797109), wk = 0.0042373 k( 66) = ( 0.5000000 0.3507884 -0.4924042), wk = 0.0042373 k( 67) = ( 0.5000000 0.3623243 -0.5050974), wk = 0.0042373 k( 68) = ( 0.5870165 0.4406092 0.3125341), wk = 0.0042373 k( 69) = ( 0.5761394 0.4417615 0.3245693), wk = 0.0042373 k( 70) = ( 0.5652624 0.4429138 0.3366045), wk = 0.0042373 k( 71) = ( 0.5543853 0.4440661 0.3486397), wk = 0.0042373 k( 72) = ( 0.5435082 0.4452185 0.3606749), wk = 0.0042373 k( 73) = ( 0.5326312 0.4463708 0.3727101), wk = 0.0042373 k( 74) = ( 0.5217541 0.4475231 0.3847453), wk = 0.0042373 k( 75) = ( 0.5108771 0.4486754 0.3967805), wk = 0.0042373 k( 76) = ( 0.5000000 0.4498277 0.4088157), wk = 0.0042373 k( 77) = ( 0.5000000 0.4498277 0.4088157), wk = 0.0042373 k( 78) = ( 0.4888889 0.4398316 0.3997309), wk = 0.0042373 k( 79) = ( 0.4777778 0.4298354 0.3906461), wk = 0.0042373 k( 80) = ( 0.4666667 0.4198392 0.3815614), wk = 0.0042373 k( 81) = ( 0.4555556 0.4098431 0.3724766), wk = 0.0042373 k( 82) = ( 0.4444444 0.3998469 0.3633918), wk = 0.0042373 k( 83) = ( 0.4333333 0.3898507 0.3543070), wk = 0.0042373 k( 84) = ( 0.4222222 0.3798545 0.3452222), wk = 0.0042373 k( 85) = ( 0.4111111 0.3698584 0.3361374), wk = 0.0042373 k( 86) = ( 0.4000000 0.3598622 0.3270526), wk = 0.0042373 k( 87) = ( 0.3888889 0.3498660 0.3179678), wk = 0.0042373 k( 88) = ( 0.3777778 0.3398699 0.3088830), wk = 0.0042373 k( 89) = ( 0.3666667 0.3298737 0.2997982), wk = 0.0042373 k( 90) = ( 0.3555556 0.3198775 0.2907134), wk = 0.0042373 k( 91) = ( 0.3444444 0.3098813 0.2816286), wk = 0.0042373 k( 92) = ( 0.3333333 0.2998852 0.2725438), wk = 0.0042373 k( 93) = ( 0.3222222 0.2898890 0.2634590), wk = 0.0042373 k( 94) = ( 0.3111111 0.2798928 0.2543742), wk = 0.0042373 k( 95) = ( 0.3000000 0.2698966 0.2452894), wk = 0.0042373 k( 96) = ( 0.2888889 0.2599005 0.2362046), wk = 0.0042373 k( 97) = ( 0.2777778 0.2499043 0.2271199), wk = 0.0042373 k( 98) = ( 0.2666667 0.2399081 0.2180351), wk = 0.0042373 k( 99) = ( 0.2555556 0.2299120 0.2089503), wk = 0.0042373 k( 100) = ( 0.2444444 0.2199158 0.1998655), wk = 0.0042373 k( 101) = ( 0.2333333 0.2099196 0.1907807), wk = 0.0042373 k( 102) = ( 0.2222222 0.1999234 0.1816959), wk = 0.0042373 k( 103) = ( 0.2111111 0.1899273 0.1726111), wk = 0.0042373 k( 104) = ( 0.2000000 0.1799311 0.1635263), wk = 0.0042373 k( 105) = ( 0.1888889 0.1699349 0.1544415), wk = 0.0042373 k( 106) = ( 0.1777778 0.1599388 0.1453567), wk = 0.0042373 k( 107) = ( 0.1666667 0.1499426 0.1362719), wk = 0.0042373 k( 108) = ( 0.1555556 0.1399464 0.1271871), wk = 0.0042373 k( 109) = ( 0.1444444 0.1299502 0.1181023), wk = 0.0042373 k( 110) = ( 0.1333333 0.1199541 0.1090175), wk = 0.0042373 k( 111) = ( 0.1222222 0.1099579 0.0999327), wk = 0.0042373 k( 112) = ( 0.1111111 0.0999617 0.0908479), wk = 0.0042373 k( 113) = ( 0.1000000 0.0899655 0.0817631), wk = 0.0042373 k( 114) = ( 0.0888889 0.0799694 0.0726784), wk = 0.0042373 k( 115) = ( 0.0777778 0.0699732 0.0635936), wk = 0.0042373 k( 116) = ( 0.0666667 0.0599770 0.0545088), wk = 0.0042373 k( 117) = ( 0.0555556 0.0499809 0.0454240), wk = 0.0042373 k( 118) = ( 0.0444444 0.0399847 0.0363392), wk = 0.0042373 k( 119) = ( 0.0333333 0.0299885 0.0272544), wk = 0.0042373 k( 120) = ( 0.0222222 0.0199923 0.0181696), wk = 0.0042373 k( 121) = ( 0.0111111 0.0099962 0.0090848), wk = 0.0042373 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 124) = ( 0.0117049 -0.0012400 -0.0129512), wk = 0.0042373 k( 125) = ( 0.0234098 -0.0024801 -0.0259024), wk = 0.0042373 k( 126) = ( 0.0351148 -0.0037201 -0.0388536), wk = 0.0042373 k( 127) = ( 0.0468197 -0.0049601 -0.0518049), wk = 0.0042373 k( 128) = ( 0.0585246 -0.0062001 -0.0647561), wk = 0.0042373 k( 129) = ( 0.0702295 -0.0074402 -0.0777073), wk = 0.0042373 k( 130) = ( 0.0819344 -0.0086802 -0.0906585), wk = 0.0042373 k( 131) = ( 0.0936393 -0.0099202 -0.1036097), wk = 0.0042373 k( 132) = ( 0.1053443 -0.0111602 -0.1165609), wk = 0.0042373 k( 133) = ( 0.1170492 -0.0124003 -0.1295122), wk = 0.0042373 k( 134) = ( 0.1287541 -0.0136403 -0.1424634), wk = 0.0042373 k( 135) = ( 0.1404590 -0.0148803 -0.1554146), wk = 0.0042373 k( 136) = ( 0.1521639 -0.0161203 -0.1683658), wk = 0.0042373 k( 137) = ( 0.1638688 -0.0173604 -0.1813170), wk = 0.0042373 k( 138) = ( 0.1755738 -0.0186004 -0.1942682), wk = 0.0042373 k( 139) = ( 0.1872787 -0.0198404 -0.2072194), wk = 0.0042373 k( 140) = ( 0.1989836 -0.0210804 -0.2201707), wk = 0.0042373 k( 141) = ( 0.2106885 -0.0223205 -0.2331219), wk = 0.0042373 k( 142) = ( 0.2223934 -0.0235605 -0.2460731), wk = 0.0042373 k( 143) = ( 0.2340983 -0.0248005 -0.2590243), wk = 0.0042373 k( 144) = ( 0.2458033 -0.0260405 -0.2719755), wk = 0.0042373 k( 145) = ( 0.2575082 -0.0272806 -0.2849267), wk = 0.0042373 k( 146) = ( 0.2692131 -0.0285206 -0.2978780), wk = 0.0042373 k( 147) = ( 0.2809180 -0.0297606 -0.3108292), wk = 0.0042373 k( 148) = ( 0.2926229 -0.0310006 -0.3237804), wk = 0.0042373 k( 149) = ( 0.3043278 -0.0322407 -0.3367316), wk = 0.0042373 k( 150) = ( 0.3160328 -0.0334807 -0.3496828), wk = 0.0042373 k( 151) = ( 0.3277377 -0.0347207 -0.3626340), wk = 0.0042373 k( 152) = ( 0.3394426 -0.0359607 -0.3755853), wk = 0.0042373 k( 153) = ( 0.3511475 -0.0372008 -0.3885365), wk = 0.0042373 k( 154) = ( 0.3628524 -0.0384408 -0.4014877), wk = 0.0042373 k( 155) = ( 0.3745574 -0.0396808 -0.4144389), wk = 0.0042373 k( 156) = ( 0.3862623 -0.0409208 -0.4273901), wk = 0.0042373 k( 157) = ( 0.3979672 -0.0421609 -0.4403413), wk = 0.0042373 k( 158) = ( 0.4096721 -0.0434009 -0.4532925), wk = 0.0042373 k( 159) = ( 0.4213770 -0.0446409 -0.4662438), wk = 0.0042373 k( 160) = ( 0.4330819 -0.0458809 -0.4791950), wk = 0.0042373 k( 161) = ( 0.4447869 -0.0471210 -0.4921462), wk = 0.0042373 k( 162) = ( 0.4564918 -0.0483610 -0.5050974), wk = 0.0042373 k( 163) = ( 0.5435082 0.4014668 -0.0962817), wk = 0.0042373 k( 164) = ( 0.5326312 0.4135570 -0.0962817), wk = 0.0042373 k( 165) = ( 0.5217541 0.4256472 -0.0962817), wk = 0.0042373 k( 166) = ( 0.5108771 0.4377375 -0.0962817), wk = 0.0042373 k( 167) = ( 0.5000000 0.4498277 -0.0962817), wk = 0.0042373 k( 168) = ( 0.5000000 0.4498277 -0.0962817), wk = 0.0042373 k( 169) = ( 0.5018128 0.4514587 -0.0792477), wk = 0.0042373 k( 170) = ( 0.5036257 0.4530896 -0.0622137), wk = 0.0042373 k( 171) = ( 0.5054385 0.4547205 -0.0451797), wk = 0.0042373 k( 172) = ( 0.5072514 0.4563515 -0.0281457), wk = 0.0042373 k( 173) = ( 0.5090642 0.4579824 -0.0111117), wk = 0.0042373 k( 174) = ( 0.5108771 0.4596133 0.0059223), wk = 0.0042373 k( 175) = ( 0.5126899 0.4612443 0.0229562), wk = 0.0042373 k( 176) = ( 0.5145027 0.4628752 0.0399902), wk = 0.0042373 k( 177) = ( 0.5163156 0.4645062 0.0570242), wk = 0.0042373 k( 178) = ( 0.5181284 0.4661371 0.0740582), wk = 0.0042373 k( 179) = ( 0.5199413 0.4677680 0.0910922), wk = 0.0042373 k( 180) = ( 0.5217541 0.4693990 0.1081262), wk = 0.0042373 k( 181) = ( 0.5235670 0.4710299 0.1251602), wk = 0.0042373 k( 182) = ( 0.5253798 0.4726608 0.1421942), wk = 0.0042373 k( 183) = ( 0.5271927 0.4742918 0.1592282), wk = 0.0042373 k( 184) = ( 0.5290055 0.4759227 0.1762622), wk = 0.0042373 k( 185) = ( 0.5308183 0.4775536 0.1932961), wk = 0.0042373 k( 186) = ( 0.5326312 0.4791846 0.2103301), wk = 0.0042373 k( 187) = ( 0.5344440 0.4808155 0.2273641), wk = 0.0042373 k( 188) = ( 0.5362569 0.4824464 0.2443981), wk = 0.0042373 k( 189) = ( 0.5380697 0.4840774 0.2614321), wk = 0.0042373 k( 190) = ( 0.5398825 0.4857083 0.2784661), wk = 0.0042373 k( 191) = ( 0.5416954 0.4873392 0.2955001), wk = 0.0042373 k( 192) = ( 0.5435082 0.4889702 0.3125341), wk = 0.0042373 k( 193) = ( 0.5435082 0.4889702 0.3125341), wk = 0.0042373 k( 194) = ( 0.5372928 0.4833784 0.3262886), wk = 0.0042373 k( 195) = ( 0.5310773 0.4777866 0.3400431), wk = 0.0042373 k( 196) = ( 0.5248618 0.4721948 0.3537976), wk = 0.0042373 k( 197) = ( 0.5186464 0.4666031 0.3675522), wk = 0.0042373 k( 198) = ( 0.5124309 0.4610113 0.3813067), wk = 0.0042373 k( 199) = ( 0.5062155 0.4554195 0.3950612), wk = 0.0042373 k( 200) = ( 0.5000000 0.4498277 0.4088157), wk = 0.0042373 k( 201) = ( 0.5000000 -0.0529703 -0.0481408), wk = 0.0042373 k( 202) = ( 0.5024862 -0.0401181 -0.0364604), wk = 0.0042373 k( 203) = ( 0.5049724 -0.0272658 -0.0247799), wk = 0.0042373 k( 204) = ( 0.5074585 -0.0144136 -0.0130995), wk = 0.0042373 k( 205) = ( 0.5099447 -0.0015614 -0.0014190), wk = 0.0042373 k( 206) = ( 0.5124309 0.0112908 0.0102614), wk = 0.0042373 k( 207) = ( 0.5149171 0.0241430 0.0219419), wk = 0.0042373 k( 208) = ( 0.5174033 0.0369953 0.0336223), wk = 0.0042373 k( 209) = ( 0.5198895 0.0498475 0.0453028), wk = 0.0042373 k( 210) = ( 0.5223757 0.0626997 0.0569832), wk = 0.0042373 k( 211) = ( 0.5248618 0.0755519 0.0686637), wk = 0.0042373 k( 212) = ( 0.5273480 0.0884042 0.0803441), wk = 0.0042373 k( 213) = ( 0.5298342 0.1012564 0.0920246), wk = 0.0042373 k( 214) = ( 0.5323204 0.1141086 0.1037050), wk = 0.0042373 k( 215) = ( 0.5348066 0.1269608 0.1153855), wk = 0.0042373 k( 216) = ( 0.5372928 0.1398130 0.1270659), wk = 0.0042373 k( 217) = ( 0.5397790 0.1526653 0.1387464), wk = 0.0042373 k( 218) = ( 0.5422651 0.1655175 0.1504268), wk = 0.0042373 k( 219) = ( 0.5447513 0.1783697 0.1621072), wk = 0.0042373 k( 220) = ( 0.5472375 0.1912219 0.1737877), wk = 0.0042373 k( 221) = ( 0.5497237 0.2040741 0.1854682), wk = 0.0042373 k( 222) = ( 0.5522099 0.2169264 0.1971486), wk = 0.0042373 k( 223) = ( 0.5546961 0.2297786 0.2088290), wk = 0.0042373 k( 224) = ( 0.5571822 0.2426308 0.2205095), wk = 0.0042373 k( 225) = ( 0.5596684 0.2554830 0.2321900), wk = 0.0042373 k( 226) = ( 0.5621546 0.2683353 0.2438704), wk = 0.0042373 k( 227) = ( 0.5646408 0.2811875 0.2555508), wk = 0.0042373 k( 228) = ( 0.5671270 0.2940397 0.2672313), wk = 0.0042373 k( 229) = ( 0.5696132 0.3068919 0.2789117), wk = 0.0042373 k( 230) = ( 0.5720994 0.3197441 0.2905922), wk = 0.0042373 k( 231) = ( 0.5745855 0.3325964 0.3022726), wk = 0.0042373 k( 232) = ( 0.5770717 0.3454486 0.3139531), wk = 0.0042373 k( 233) = ( 0.5795579 0.3583008 0.3256335), wk = 0.0042373 k( 234) = ( 0.5820441 0.3711530 0.3373140), wk = 0.0042373 k( 235) = ( 0.5845303 0.3840052 0.3489944), wk = 0.0042373 k( 236) = ( 0.5870165 0.3968575 0.3606749), wk = 0.0042373 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 2) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0042373 k( 3) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0042373 k( 4) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0042373 k( 5) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0042373 k( 6) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0042373 k( 7) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0042373 k( 8) = ( 0.1206897 -0.0000000 0.0000000), wk = 0.0042373 k( 9) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0042373 k( 10) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0042373 k( 11) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0042373 k( 12) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0042373 k( 13) = ( 0.2068966 -0.0000000 0.0000000), wk = 0.0042373 k( 14) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0042373 k( 15) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0042373 k( 16) = ( 0.2586207 -0.0000000 0.0000000), wk = 0.0042373 k( 17) = ( 0.2758621 -0.0000000 0.0000000), wk = 0.0042373 k( 18) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0042373 k( 19) = ( 0.3103448 -0.0000000 0.0000000), wk = 0.0042373 k( 20) = ( 0.3275862 -0.0000000 0.0000000), wk = 0.0042373 k( 21) = ( 0.3448276 0.0000000 0.0000000), wk = 0.0042373 k( 22) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0042373 k( 23) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0042373 k( 24) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0042373 k( 25) = ( 0.4137931 -0.0000000 0.0000000), wk = 0.0042373 k( 26) = ( 0.4310345 -0.0000000 0.0000000), wk = 0.0042373 k( 27) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0042373 k( 28) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0042373 k( 29) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0042373 k( 30) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 31) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 32) = ( 0.5000000 0.0114718 -0.0114718), wk = 0.0042373 k( 33) = ( 0.5000000 0.0229435 -0.0229435), wk = 0.0042373 k( 34) = ( 0.5000000 0.0344153 -0.0344153), wk = 0.0042373 k( 35) = ( 0.5000000 0.0458871 -0.0458871), wk = 0.0042373 k( 36) = ( 0.5000000 0.0573588 -0.0573588), wk = 0.0042373 k( 37) = ( 0.5000000 0.0688306 -0.0688306), wk = 0.0042373 k( 38) = ( 0.5000000 0.0803023 -0.0803023), wk = 0.0042373 k( 39) = ( 0.5000000 0.0917741 -0.0917741), wk = 0.0042373 k( 40) = ( 0.5000000 0.1032459 -0.1032459), wk = 0.0042373 k( 41) = ( 0.5000000 0.1147177 -0.1147176), wk = 0.0042373 k( 42) = ( 0.5000000 0.1261894 -0.1261894), wk = 0.0042373 k( 43) = ( 0.5000000 0.1376612 -0.1376612), wk = 0.0042373 k( 44) = ( 0.5000000 0.1491329 -0.1491329), wk = 0.0042373 k( 45) = ( 0.5000000 0.1606047 -0.1606047), wk = 0.0042373 k( 46) = ( 0.5000000 0.1720765 -0.1720765), wk = 0.0042373 k( 47) = ( 0.5000000 0.1835482 -0.1835482), wk = 0.0042373 k( 48) = ( 0.5000000 0.1950200 -0.1950200), wk = 0.0042373 k( 49) = ( 0.5000000 0.2064918 -0.2064918), wk = 0.0042373 k( 50) = ( 0.5000000 0.2179635 -0.2179635), wk = 0.0042373 k( 51) = ( 0.5000000 0.2294353 -0.2294353), wk = 0.0042373 k( 52) = ( 0.5000000 0.2409071 -0.2409071), wk = 0.0042373 k( 53) = ( 0.5000000 0.2523788 -0.2523788), wk = 0.0042373 k( 54) = ( 0.5000000 0.2638506 -0.2638506), wk = 0.0042373 k( 55) = ( 0.5000000 0.2753224 -0.2753224), wk = 0.0042373 k( 56) = ( 0.5000000 0.2867941 -0.2867941), wk = 0.0042373 k( 57) = ( 0.5000000 0.2982659 -0.2982659), wk = 0.0042373 k( 58) = ( 0.5000000 0.3097376 -0.3097376), wk = 0.0042373 k( 59) = ( 0.5000000 0.3212094 -0.3212094), wk = 0.0042373 k( 60) = ( 0.5000000 0.3326812 -0.3326812), wk = 0.0042373 k( 61) = ( 0.5000000 0.3441529 -0.3441529), wk = 0.0042373 k( 62) = ( 0.5000000 0.3556247 -0.3556247), wk = 0.0042373 k( 63) = ( 0.5000000 0.3670965 -0.3670965), wk = 0.0042373 k( 64) = ( 0.5000000 0.3785682 -0.3785682), wk = 0.0042373 k( 65) = ( 0.5000000 0.3900400 -0.3900400), wk = 0.0042373 k( 66) = ( 0.5000000 0.4015118 -0.4015118), wk = 0.0042373 k( 67) = ( 0.5000000 0.4129835 -0.4129835), wk = 0.0042373 k( 68) = ( 0.5870165 0.5000000 0.4129835), wk = 0.0042373 k( 69) = ( 0.5761394 0.5000000 0.4238606), wk = 0.0042373 k( 70) = ( 0.5652624 0.5000000 0.4347376), wk = 0.0042373 k( 71) = ( 0.5543853 0.5000000 0.4456147), wk = 0.0042373 k( 72) = ( 0.5435082 0.5000000 0.4564918), wk = 0.0042373 k( 73) = ( 0.5326312 0.5000000 0.4673688), wk = 0.0042373 k( 74) = ( 0.5217541 0.5000000 0.4782459), wk = 0.0042373 k( 75) = ( 0.5108771 0.5000000 0.4891229), wk = 0.0042373 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 78) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0042373 k( 79) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0042373 k( 80) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0042373 k( 81) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0042373 k( 82) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0042373 k( 83) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0042373 k( 84) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0042373 k( 85) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0042373 k( 86) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0042373 k( 87) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0042373 k( 88) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0042373 k( 89) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0042373 k( 90) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0042373 k( 91) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0042373 k( 92) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0042373 k( 93) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0042373 k( 94) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0042373 k( 95) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0042373 k( 96) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0042373 k( 97) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0042373 k( 98) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0042373 k( 99) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0042373 k( 100) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0042373 k( 101) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0042373 k( 102) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0042373 k( 103) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0042373 k( 104) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0042373 k( 105) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0042373 k( 106) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0042373 k( 107) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0042373 k( 108) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0042373 k( 109) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0042373 k( 110) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0042373 k( 111) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0042373 k( 112) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0042373 k( 113) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0042373 k( 114) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0042373 k( 115) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0042373 k( 116) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0042373 k( 117) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0042373 k( 118) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0042373 k( 119) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0042373 k( 120) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0042373 k( 121) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0042373 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042373 k( 124) = ( 0.0117049 -0.0000000 -0.0117049), wk = 0.0042373 k( 125) = ( 0.0234098 -0.0000000 -0.0234098), wk = 0.0042373 k( 126) = ( 0.0351148 -0.0000000 -0.0351148), wk = 0.0042373 k( 127) = ( 0.0468197 0.0000000 -0.0468197), wk = 0.0042373 k( 128) = ( 0.0585246 0.0000000 -0.0585246), wk = 0.0042373 k( 129) = ( 0.0702295 -0.0000000 -0.0702295), wk = 0.0042373 k( 130) = ( 0.0819344 0.0000000 -0.0819344), wk = 0.0042373 k( 131) = ( 0.0936393 0.0000000 -0.0936393), wk = 0.0042373 k( 132) = ( 0.1053443 0.0000000 -0.1053443), wk = 0.0042373 k( 133) = ( 0.1170492 -0.0000000 -0.1170492), wk = 0.0042373 k( 134) = ( 0.1287541 -0.0000000 -0.1287541), wk = 0.0042373 k( 135) = ( 0.1404590 0.0000000 -0.1404590), wk = 0.0042373 k( 136) = ( 0.1521639 -0.0000000 -0.1521639), wk = 0.0042373 k( 137) = ( 0.1638688 0.0000000 -0.1638688), wk = 0.0042373 k( 138) = ( 0.1755738 -0.0000000 -0.1755738), wk = 0.0042373 k( 139) = ( 0.1872787 0.0000000 -0.1872787), wk = 0.0042373 k( 140) = ( 0.1989836 0.0000000 -0.1989836), wk = 0.0042373 k( 141) = ( 0.2106885 -0.0000000 -0.2106885), wk = 0.0042373 k( 142) = ( 0.2223934 -0.0000000 -0.2223934), wk = 0.0042373 k( 143) = ( 0.2340983 -0.0000000 -0.2340983), wk = 0.0042373 k( 144) = ( 0.2458033 0.0000000 -0.2458033), wk = 0.0042373 k( 145) = ( 0.2575082 -0.0000000 -0.2575082), wk = 0.0042373 k( 146) = ( 0.2692131 -0.0000000 -0.2692131), wk = 0.0042373 k( 147) = ( 0.2809180 0.0000000 -0.2809180), wk = 0.0042373 k( 148) = ( 0.2926229 0.0000000 -0.2926229), wk = 0.0042373 k( 149) = ( 0.3043278 -0.0000000 -0.3043278), wk = 0.0042373 k( 150) = ( 0.3160328 0.0000000 -0.3160328), wk = 0.0042373 k( 151) = ( 0.3277377 0.0000000 -0.3277377), wk = 0.0042373 k( 152) = ( 0.3394426 0.0000000 -0.3394426), wk = 0.0042373 k( 153) = ( 0.3511475 0.0000000 -0.3511475), wk = 0.0042373 k( 154) = ( 0.3628524 -0.0000000 -0.3628524), wk = 0.0042373 k( 155) = ( 0.3745574 -0.0000000 -0.3745574), wk = 0.0042373 k( 156) = ( 0.3862623 -0.0000000 -0.3862623), wk = 0.0042373 k( 157) = ( 0.3979672 0.0000000 -0.3979672), wk = 0.0042373 k( 158) = ( 0.4096721 0.0000000 -0.4096721), wk = 0.0042373 k( 159) = ( 0.4213770 -0.0000000 -0.4213770), wk = 0.0042373 k( 160) = ( 0.4330819 0.0000000 -0.4330819), wk = 0.0042373 k( 161) = ( 0.4447869 -0.0000000 -0.4447869), wk = 0.0042373 k( 162) = ( 0.4564918 0.0000000 -0.4564918), wk = 0.0042373 k( 163) = ( 0.5435082 0.4564918 -0.0000000), wk = 0.0042373 k( 164) = ( 0.5326312 0.4673688 -0.0000000), wk = 0.0042373 k( 165) = ( 0.5217541 0.4782459 0.0000000), wk = 0.0042373 k( 166) = ( 0.5108771 0.4891229 -0.0000000), wk = 0.0042373 k( 167) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042373 k( 168) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042373 k( 169) = ( 0.5018128 0.5018128 0.0172077), wk = 0.0042373 k( 170) = ( 0.5036257 0.5036257 0.0344153), wk = 0.0042373 k( 171) = ( 0.5054385 0.5054385 0.0516229), wk = 0.0042373 k( 172) = ( 0.5072514 0.5072514 0.0688306), wk = 0.0042373 k( 173) = ( 0.5090642 0.5090642 0.0860382), wk = 0.0042373 k( 174) = ( 0.5108771 0.5108771 0.1032459), wk = 0.0042373 k( 175) = ( 0.5126899 0.5126899 0.1204535), wk = 0.0042373 k( 176) = ( 0.5145027 0.5145027 0.1376612), wk = 0.0042373 k( 177) = ( 0.5163156 0.5163156 0.1548688), wk = 0.0042373 k( 178) = ( 0.5181284 0.5181284 0.1720765), wk = 0.0042373 k( 179) = ( 0.5199413 0.5199413 0.1892841), wk = 0.0042373 k( 180) = ( 0.5217541 0.5217541 0.2064918), wk = 0.0042373 k( 181) = ( 0.5235670 0.5235670 0.2236994), wk = 0.0042373 k( 182) = ( 0.5253798 0.5253798 0.2409071), wk = 0.0042373 k( 183) = ( 0.5271927 0.5271926 0.2581147), wk = 0.0042373 k( 184) = ( 0.5290055 0.5290055 0.2753224), wk = 0.0042373 k( 185) = ( 0.5308183 0.5308183 0.2925300), wk = 0.0042373 k( 186) = ( 0.5326312 0.5326312 0.3097376), wk = 0.0042373 k( 187) = ( 0.5344440 0.5344440 0.3269453), wk = 0.0042373 k( 188) = ( 0.5362569 0.5362569 0.3441529), wk = 0.0042373 k( 189) = ( 0.5380697 0.5380697 0.3613606), wk = 0.0042373 k( 190) = ( 0.5398825 0.5398825 0.3785682), wk = 0.0042373 k( 191) = ( 0.5416954 0.5416954 0.3957759), wk = 0.0042373 k( 192) = ( 0.5435082 0.5435082 0.4129835), wk = 0.0042373 k( 193) = ( 0.5435082 0.5435082 0.4129835), wk = 0.0042373 k( 194) = ( 0.5372928 0.5372928 0.4254145), wk = 0.0042373 k( 195) = ( 0.5310773 0.5310773 0.4378454), wk = 0.0042373 k( 196) = ( 0.5248618 0.5248618 0.4502763), wk = 0.0042373 k( 197) = ( 0.5186464 0.5186464 0.4627072), wk = 0.0042373 k( 198) = ( 0.5124309 0.5124309 0.4751381), wk = 0.0042373 k( 199) = ( 0.5062155 0.5062155 0.4875691), wk = 0.0042373 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042373 k( 201) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042373 k( 202) = ( 0.5024862 0.0130426 0.0130426), wk = 0.0042373 k( 203) = ( 0.5049724 0.0260852 0.0260852), wk = 0.0042373 k( 204) = ( 0.5074585 0.0391279 0.0391279), wk = 0.0042373 k( 205) = ( 0.5099447 0.0521705 0.0521705), wk = 0.0042373 k( 206) = ( 0.5124309 0.0652131 0.0652131), wk = 0.0042373 k( 207) = ( 0.5149171 0.0782557 0.0782557), wk = 0.0042373 k( 208) = ( 0.5174033 0.0912983 0.0912984), wk = 0.0042373 k( 209) = ( 0.5198895 0.1043410 0.1043410), wk = 0.0042373 k( 210) = ( 0.5223757 0.1173836 0.1173836), wk = 0.0042373 k( 211) = ( 0.5248618 0.1304262 0.1304262), wk = 0.0042373 k( 212) = ( 0.5273480 0.1434688 0.1434688), wk = 0.0042373 k( 213) = ( 0.5298342 0.1565115 0.1565115), wk = 0.0042373 k( 214) = ( 0.5323204 0.1695541 0.1695541), wk = 0.0042373 k( 215) = ( 0.5348066 0.1825967 0.1825967), wk = 0.0042373 k( 216) = ( 0.5372928 0.1956393 0.1956393), wk = 0.0042373 k( 217) = ( 0.5397790 0.2086819 0.2086819), wk = 0.0042373 k( 218) = ( 0.5422651 0.2217246 0.2217246), wk = 0.0042373 k( 219) = ( 0.5447513 0.2347672 0.2347672), wk = 0.0042373 k( 220) = ( 0.5472375 0.2478098 0.2478098), wk = 0.0042373 k( 221) = ( 0.5497237 0.2608524 0.2608524), wk = 0.0042373 k( 222) = ( 0.5522099 0.2738951 0.2738951), wk = 0.0042373 k( 223) = ( 0.5546961 0.2869377 0.2869377), wk = 0.0042373 k( 224) = ( 0.5571822 0.2999803 0.2999803), wk = 0.0042373 k( 225) = ( 0.5596684 0.3130229 0.3130229), wk = 0.0042373 k( 226) = ( 0.5621546 0.3260655 0.3260655), wk = 0.0042373 k( 227) = ( 0.5646408 0.3391082 0.3391082), wk = 0.0042373 k( 228) = ( 0.5671270 0.3521508 0.3521508), wk = 0.0042373 k( 229) = ( 0.5696132 0.3651934 0.3651934), wk = 0.0042373 k( 230) = ( 0.5720994 0.3782360 0.3782360), wk = 0.0042373 k( 231) = ( 0.5745855 0.3912787 0.3912787), wk = 0.0042373 k( 232) = ( 0.5770717 0.4043213 0.4043213), wk = 0.0042373 k( 233) = ( 0.5795579 0.4173639 0.4173639), wk = 0.0042373 k( 234) = ( 0.5820441 0.4304065 0.4304065), wk = 0.0042373 k( 235) = ( 0.5845303 0.4434491 0.4434491), wk = 0.0042373 k( 236) = ( 0.5870165 0.4564918 0.4564918), wk = 0.0042373 Dense grid: 74295 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 50039 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 356, 70) NL pseudopotentials 0.74 Mb ( 178, 272) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2065) G-vector shells 0.01 Mb ( 1635) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.52 Mb ( 356, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.58 Mb ( 272, 2, 70) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SnP3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.3 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 16.3 secs Computing kpt #: 15 total cpu time spent up to now is 17.4 secs Computing kpt #: 16 total cpu time spent up to now is 18.4 secs Computing kpt #: 17 total cpu time spent up to now is 19.5 secs Computing kpt #: 18 total cpu time spent up to now is 20.5 secs Computing kpt #: 19 total cpu time spent up to now is 21.6 secs Computing kpt #: 20 total cpu time spent up to now is 22.7 secs Computing kpt #: 21 total cpu time spent up to now is 23.7 secs Computing kpt #: 22 total cpu time spent up to now is 25.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.2 secs Computing kpt #: 25 total cpu time spent up to now is 28.3 secs Computing kpt #: 26 total cpu time spent up to now is 29.2 secs Computing kpt #: 27 total cpu time spent up to now is 30.1 secs Computing kpt #: 28 total cpu time spent up to now is 30.9 secs Computing kpt #: 29 total cpu time spent up to now is 31.8 secs Computing kpt #: 30 total cpu time spent up to now is 32.6 secs Computing kpt #: 31 total cpu time spent up to now is 33.5 secs Computing kpt #: 32 total cpu time spent up to now is 34.4 secs Computing kpt #: 33 total cpu time spent up to now is 35.2 secs Computing kpt #: 34 total cpu time spent up to now is 36.1 secs Computing kpt #: 35 total cpu time spent up to now is 37.0 secs Computing kpt #: 36 total cpu time spent up to now is 37.9 secs Computing kpt #: 37 total cpu time spent up to now is 38.8 secs Computing kpt #: 38 total cpu time spent up to now is 39.7 secs Computing kpt #: 39 total cpu time spent up to now is 40.6 secs Computing kpt #: 40 total cpu time spent up to now is 41.5 secs Computing kpt #: 41 total cpu time spent up to now is 42.4 secs Computing kpt #: 42 total cpu time spent up to now is 43.4 secs Computing kpt #: 43 total cpu time spent up to now is 44.3 secs Computing kpt #: 44 total cpu time spent up to now is 45.3 secs Computing kpt #: 45 total cpu time spent up to now is 46.2 secs Computing kpt #: 46 total cpu time spent up to now is 47.1 secs Computing kpt #: 47 total cpu time spent up to now is 48.1 secs Computing kpt #: 48 total cpu time spent up to now is 49.1 secs Computing kpt #: 49 total cpu time spent up to now is 50.0 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 52.0 secs Computing kpt #: 52 total cpu time spent up to now is 53.0 secs Computing kpt #: 53 total cpu time spent up to now is 54.0 secs Computing kpt #: 54 total cpu time spent up to now is 55.0 secs Computing kpt #: 55 total cpu time spent up to now is 56.0 secs Computing kpt #: 56 total cpu time spent up to now is 57.0 secs Computing kpt #: 57 total cpu time spent up to now is 57.9 secs Computing kpt #: 58 total cpu time spent up to now is 58.9 secs Computing kpt #: 59 total cpu time spent up to now is 59.8 secs Computing kpt #: 60 total cpu time spent up to now is 60.8 secs Computing kpt #: 61 total cpu time spent up to now is 61.7 secs Computing kpt #: 62 total cpu time spent up to now is 62.6 secs Computing kpt #: 63 total cpu time spent up to now is 63.6 secs Computing kpt #: 64 total cpu time spent up to now is 64.5 secs Computing kpt #: 65 total cpu time spent up to now is 65.4 secs Computing kpt #: 66 total cpu time spent up to now is 66.3 secs Computing kpt #: 67 total cpu time spent up to now is 67.3 secs Computing kpt #: 68 total cpu time spent up to now is 68.2 secs Computing kpt #: 69 total cpu time spent up to now is 69.1 secs Computing kpt #: 70 total cpu time spent up to now is 70.1 secs Computing kpt #: 71 total cpu time spent up to now is 71.0 secs Computing kpt #: 72 total cpu time spent up to now is 72.0 secs Computing kpt #: 73 total cpu time spent up to now is 72.9 secs Computing kpt #: 74 total cpu time spent up to now is 73.8 secs Computing kpt #: 75 total cpu time spent up to now is 74.7 secs Computing kpt #: 76 total cpu time spent up to now is 75.6 secs Computing kpt #: 77 total cpu time spent up to now is 76.5 secs Computing kpt #: 78 total cpu time spent up to now is 77.4 secs Computing kpt #: 79 total cpu time spent up to now is 78.3 secs Computing kpt #: 80 total cpu time spent up to now is 79.2 secs Computing kpt #: 81 total cpu time spent up to now is 80.2 secs Computing kpt #: 82 total cpu time spent up to now is 81.1 secs Computing kpt #: 83 total cpu time spent up to now is 82.0 secs Computing kpt #: 84 total cpu time spent up to now is 82.9 secs Computing kpt #: 85 total cpu time spent up to now is 83.8 secs Computing kpt #: 86 total cpu time spent up to now is 84.8 secs Computing kpt #: 87 total cpu time spent up to now is 85.8 secs Computing kpt #: 88 total cpu time spent up to now is 86.7 secs Computing kpt #: 89 total cpu time spent up to now is 87.7 secs Computing kpt #: 90 total cpu time spent up to now is 88.7 secs Computing kpt #: 91 total cpu time spent up to now is 89.7 secs Computing kpt #: 92 total cpu time spent up to now is 90.7 secs Computing kpt #: 93 total cpu time spent up to now is 91.6 secs Computing kpt #: 94 total cpu time spent up to now is 92.6 secs Computing kpt #: 95 total cpu time spent up to now is 93.5 secs Computing kpt #: 96 total cpu time spent up to now is 94.4 secs Computing kpt #: 97 total cpu time spent up to now is 95.3 secs Computing kpt #: 98 total cpu time spent up to now is 96.2 secs Computing kpt #: 99 total cpu time spent up to now is 97.1 secs Computing kpt #: 100 total cpu time spent up to now is 98.0 secs Computing kpt #: 101 total cpu time spent up to now is 98.9 secs Computing kpt #: 102 total cpu time spent up to now is 99.8 secs Computing kpt #: 103 total cpu time spent up to now is 100.8 secs Computing kpt #: 104 total cpu time spent up to now is 101.8 secs Computing kpt #: 105 total cpu time spent up to now is 102.9 secs Computing kpt #: 106 total cpu time spent up to now is 103.9 secs Computing kpt #: 107 total cpu time spent up to now is 105.0 secs Computing kpt #: 108 total cpu time spent up to now is 106.0 secs Computing kpt #: 109 total cpu time spent up to now is 107.1 secs Computing kpt #: 110 total cpu time spent up to now is 108.1 secs Computing kpt #: 111 total cpu time spent up to now is 109.2 secs Computing kpt #: 112 total cpu time spent up to now is 110.2 secs Computing kpt #: 113 total cpu time spent up to now is 111.3 secs Computing kpt #: 114 total cpu time spent up to now is 112.3 secs Computing kpt #: 115 total cpu time spent up to now is 113.4 secs Computing kpt #: 116 total cpu time spent up to now is 114.4 secs Computing kpt #: 117 total cpu time spent up to now is 115.5 secs Computing kpt #: 118 total cpu time spent up to now is 116.5 secs Computing kpt #: 119 total cpu time spent up to now is 117.5 secs Computing kpt #: 120 total cpu time spent up to now is 118.6 secs Computing kpt #: 121 total cpu time spent up to now is 119.6 secs Computing kpt #: 122 total cpu time spent up to now is 120.6 secs Computing kpt #: 123 total cpu time spent up to now is 121.6 secs Computing kpt #: 124 total cpu time spent up to now is 122.7 secs Computing kpt #: 125 total cpu time spent up to now is 123.7 secs Computing kpt #: 126 total cpu time spent up to now is 124.7 secs Computing kpt #: 127 total cpu time spent up to now is 125.8 secs Computing kpt #: 128 total cpu time spent up to now is 126.8 secs Computing kpt #: 129 total cpu time spent up to now is 127.8 secs Computing kpt #: 130 total cpu time spent up to now is 128.9 secs Computing kpt #: 131 total cpu time spent up to now is 129.9 secs Computing kpt #: 132 total cpu time spent up to now is 131.0 secs Computing kpt #: 133 total cpu time spent up to now is 132.0 secs Computing kpt #: 134 total cpu time spent up to now is 133.1 secs Computing kpt #: 135 total cpu time spent up to now is 134.1 secs Computing kpt #: 136 total cpu time spent up to now is 135.2 secs Computing kpt #: 137 total cpu time spent up to now is 136.3 secs Computing kpt #: 138 total cpu time spent up to now is 137.4 secs Computing kpt #: 139 total cpu time spent up to now is 138.5 secs Computing kpt #: 140 total cpu time spent up to now is 139.6 secs Computing kpt #: 141 total cpu time spent up to now is 140.5 secs Computing kpt #: 142 total cpu time spent up to now is 141.6 secs Computing kpt #: 143 total cpu time spent up to now is 142.7 secs Computing kpt #: 144 total cpu time spent up to now is 143.6 secs Computing kpt #: 145 total cpu time spent up to now is 144.5 secs Computing kpt #: 146 total cpu time spent up to now is 145.5 secs Computing kpt #: 147 total cpu time spent up to now is 146.4 secs Computing kpt #: 148 total cpu time spent up to now is 147.3 secs Computing kpt #: 149 total cpu time spent up to now is 148.3 secs Computing kpt #: 150 total cpu time spent up to now is 149.2 secs Computing kpt #: 151 total cpu time spent up to now is 150.1 secs Computing kpt #: 152 total cpu time spent up to now is 151.1 secs Computing kpt #: 153 total cpu time spent up to now is 152.0 secs Computing kpt #: 154 total cpu time spent up to now is 152.9 secs Computing kpt #: 155 total cpu time spent up to now is 153.9 secs Computing kpt #: 156 total cpu time spent up to now is 154.8 secs Computing kpt #: 157 total cpu time spent up to now is 155.7 secs Computing kpt #: 158 total cpu time spent up to now is 156.7 secs Computing kpt #: 159 total cpu time spent up to now is 157.6 secs Computing kpt #: 160 total cpu time spent up to now is 158.5 secs Computing kpt #: 161 total cpu time spent up to now is 159.4 secs Computing kpt #: 162 total cpu time spent up to now is 160.3 secs Computing kpt #: 163 total cpu time spent up to now is 161.2 secs Computing kpt #: 164 total cpu time spent up to now is 162.2 secs Computing kpt #: 165 total cpu time spent up to now is 163.1 secs Computing kpt #: 166 total cpu time spent up to now is 164.0 secs Computing kpt #: 167 total cpu time spent up to now is 165.0 secs Computing kpt #: 168 total cpu time spent up to now is 165.9 secs Computing kpt #: 169 total cpu time spent up to now is 166.8 secs Computing kpt #: 170 total cpu time spent up to now is 167.8 secs Computing kpt #: 171 total cpu time spent up to now is 168.7 secs Computing kpt #: 172 total cpu time spent up to now is 169.6 secs Computing kpt #: 173 total cpu time spent up to now is 170.6 secs Computing kpt #: 174 total cpu time spent up to now is 171.5 secs Computing kpt #: 175 total cpu time spent up to now is 172.4 secs Computing kpt #: 176 total cpu time spent up to now is 173.4 secs Computing kpt #: 177 total cpu time spent up to now is 174.3 secs Computing kpt #: 178 total cpu time spent up to now is 175.3 secs Computing kpt #: 179 total cpu time spent up to now is 176.2 secs Computing kpt #: 180 total cpu time spent up to now is 177.2 secs Computing kpt #: 181 total cpu time spent up to now is 178.1 secs Computing kpt #: 182 total cpu time spent up to now is 179.1 secs Computing kpt #: 183 total cpu time spent up to now is 180.0 secs Computing kpt #: 184 total cpu time spent up to now is 181.0 secs Computing kpt #: 185 total cpu time spent up to now is 181.9 secs Computing kpt #: 186 total cpu time spent up to now is 182.8 secs Computing kpt #: 187 total cpu time spent up to now is 183.7 secs Computing kpt #: 188 total cpu time spent up to now is 184.6 secs Computing kpt #: 189 total cpu time spent up to now is 185.6 secs Computing kpt #: 190 total cpu time spent up to now is 186.5 secs Computing kpt #: 191 total cpu time spent up to now is 187.4 secs Computing kpt #: 192 total cpu time spent up to now is 188.3 secs Computing kpt #: 193 total cpu time spent up to now is 189.3 secs Computing kpt #: 194 total cpu time spent up to now is 190.2 secs Computing kpt #: 195 total cpu time spent up to now is 191.1 secs Computing kpt #: 196 total cpu time spent up to now is 192.1 secs Computing kpt #: 197 total cpu time spent up to now is 193.0 secs Computing kpt #: 198 total cpu time spent up to now is 193.9 secs Computing kpt #: 199 total cpu time spent up to now is 194.8 secs Computing kpt #: 200 total cpu time spent up to now is 195.7 secs Computing kpt #: 201 total cpu time spent up to now is 196.6 secs Computing kpt #: 202 total cpu time spent up to now is 197.4 secs Computing kpt #: 203 total cpu time spent up to now is 198.3 secs Computing kpt #: 204 total cpu time spent up to now is 199.2 secs Computing kpt #: 205 total cpu time spent up to now is 200.0 secs Computing kpt #: 206 total cpu time spent up to now is 200.9 secs Computing kpt #: 207 total cpu time spent up to now is 201.8 secs Computing kpt #: 208 total cpu time spent up to now is 202.7 secs Computing kpt #: 209 total cpu time spent up to now is 203.6 secs Computing kpt #: 210 total cpu time spent up to now is 204.5 secs Computing kpt #: 211 total cpu time spent up to now is 205.5 secs Computing kpt #: 212 total cpu time spent up to now is 206.4 secs Computing kpt #: 213 total cpu time spent up to now is 207.3 secs Computing kpt #: 214 total cpu time spent up to now is 208.3 secs Computing kpt #: 215 total cpu time spent up to now is 209.4 secs Computing kpt #: 216 total cpu time spent up to now is 210.5 secs Computing kpt #: 217 total cpu time spent up to now is 211.6 secs Computing kpt #: 218 total cpu time spent up to now is 212.6 secs Computing kpt #: 219 total cpu time spent up to now is 213.5 secs Computing kpt #: 220 total cpu time spent up to now is 214.4 secs Computing kpt #: 221 total cpu time spent up to now is 215.4 secs Computing kpt #: 222 total cpu time spent up to now is 216.3 secs Computing kpt #: 223 total cpu time spent up to now is 217.2 secs Computing kpt #: 224 total cpu time spent up to now is 218.1 secs Computing kpt #: 225 total cpu time spent up to now is 219.0 secs Computing kpt #: 226 total cpu time spent up to now is 219.9 secs Computing kpt #: 227 total cpu time spent up to now is 220.8 secs Computing kpt #: 228 total cpu time spent up to now is 221.7 secs Computing kpt #: 229 total cpu time spent up to now is 222.6 secs Computing kpt #: 230 total cpu time spent up to now is 223.5 secs Computing kpt #: 231 total cpu time spent up to now is 224.5 secs Computing kpt #: 232 total cpu time spent up to now is 225.4 secs Computing kpt #: 233 total cpu time spent up to now is 226.3 secs Computing kpt #: 234 total cpu time spent up to now is 227.2 secs Computing kpt #: 235 total cpu time spent up to now is 228.1 secs Computing kpt #: 236 total cpu time spent up to now is 229.1 secs ethr = 1.72E-08, avg # of iterations = 19.2 total cpu time spent up to now is 229.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6327 PWs) bands (ev): -13.3396 -13.3396 -13.3388 -13.3388 -13.3336 -13.3336 -13.3333 -13.3333 -12.3178 -12.3178 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8941 -5.8941 -3.3673 -3.3673 -3.3653 -3.3653 -0.3913 -0.3913 -0.2886 -0.2886 -0.2762 -0.2762 1.2224 1.2224 3.2134 3.2134 3.2551 3.2551 4.0097 4.0097 4.4126 4.4126 4.7034 4.7034 5.0326 5.0326 5.0493 5.0493 5.5243 5.5243 5.6663 5.6663 6.1280 6.1280 7.0822 7.0822 7.2377 7.2377 7.3200 7.3200 10.2049 10.2049 10.2105 10.2105 10.4506 10.4506 11.1817 11.1817 12.2480 12.2480 k = 0.0172-0.0018-0.0017 ( 6323 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8932 -5.8932 -3.3688 -3.3688 -3.3656 -3.3656 -0.4183 -0.4183 -0.2841 -0.2841 -0.2536 -0.2536 1.2246 1.2246 3.2117 3.2117 3.2535 3.2535 4.0113 4.0113 4.4017 4.4017 4.7061 4.7061 5.0343 5.0343 5.0519 5.0519 5.5295 5.5295 5.6712 5.6712 6.1147 6.1147 7.0884 7.0884 7.2407 7.2407 7.3214 7.3214 10.2082 10.2082 10.2148 10.2148 10.4548 10.4548 11.1860 11.1860 12.2465 12.2465 k = 0.0345-0.0037-0.0033 ( 6317 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3111 -12.3111 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8903 -5.8903 -3.3747 -3.3747 -3.3648 -3.3648 -0.4684 -0.4684 -0.2853 -0.2853 -0.2019 -0.2019 1.2312 1.2312 3.2058 3.2058 3.2495 3.2495 4.0156 4.0156 4.3716 4.3716 4.7126 4.7126 5.0352 5.0352 5.0636 5.0636 5.5411 5.5411 5.6890 5.6890 6.0773 6.0773 7.1004 7.1004 7.2487 7.2487 7.3307 7.3307 10.2151 10.2151 10.2304 10.2304 10.4676 10.4676 11.1987 11.1987 12.2404 12.2404 k = 0.0517-0.0055-0.0050 ( 6312 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3111 -12.3111 -12.3103 -12.3103 -12.3092 -12.3092 -12.2918 -12.2918 -12.2861 -12.2861 -5.8856 -5.8856 -3.3851 -3.3851 -3.3632 -3.3632 -0.5219 -0.5219 -0.2883 -0.2883 -0.1448 -0.1448 1.2423 1.2423 3.1944 3.1944 3.2453 3.2453 4.0218 4.0218 4.3282 4.3282 4.7191 4.7191 5.0329 5.0329 5.0870 5.0870 5.5502 5.5502 5.7253 5.7253 6.0230 6.0230 7.1049 7.1049 7.2530 7.2530 7.3647 7.3647 10.2245 10.2245 10.2577 10.2577 10.4894 10.4894 11.2195 11.2195 12.2258 12.2258 k = 0.0690-0.0073-0.0066 ( 6310 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3176 -12.3176 -12.3111 -12.3111 -12.3103 -12.3103 -12.3092 -12.3092 -12.2918 -12.2918 -12.2862 -12.2862 -5.8791 -5.8791 -3.3995 -3.3995 -3.3609 -3.3609 -0.5747 -0.5747 -0.2926 -0.2926 -0.0874 -0.0874 1.2582 1.2582 3.1772 3.1772 3.2423 3.2423 4.0287 4.0287 4.2771 4.2771 4.7225 4.7225 5.0290 5.0290 5.1208 5.1208 5.5516 5.5516 5.7764 5.7764 5.9641 5.9641 7.0965 7.0965 7.2457 7.2457 7.4310 7.4310 10.2364 10.2364 10.2957 10.2957 10.5205 10.5205 11.2478 11.2478 12.1982 12.1982 k = 0.0862-0.0091-0.0083 ( 6305 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3176 -12.3176 -12.3112 -12.3112 -12.3102 -12.3102 -12.3092 -12.3092 -12.2917 -12.2917 -12.2862 -12.2862 -5.8707 -5.8707 -3.4179 -3.4179 -3.3579 -3.3579 -0.6253 -0.6253 -0.2982 -0.2982 -0.0315 -0.0315 1.2790 1.2790 3.1556 3.1556 3.2402 3.2402 4.0347 4.0347 4.2227 4.2227 4.7200 4.7200 5.0257 5.0257 5.1643 5.1643 5.5464 5.5464 5.8018 5.8018 5.9424 5.9424 7.0778 7.0778 7.2299 7.2299 7.5201 7.5201 10.2499 10.2499 10.3440 10.3440 10.5611 10.5611 11.2831 11.2831 12.1563 12.1563 k = 0.1034-0.0110-0.0100 ( 6301 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3175 -12.3175 -12.3112 -12.3112 -12.3101 -12.3101 -12.3091 -12.3091 -12.2917 -12.2917 -12.2863 -12.2863 -5.8605 -5.8605 -3.4401 -3.4401 -3.3544 -3.3544 -0.6731 -0.6731 -0.3049 -0.3049 0.0216 0.0216 1.3050 1.3050 3.1313 3.1313 3.2386 3.2386 4.0387 4.0387 4.1683 4.1683 4.7094 4.7094 5.0252 5.0252 5.2167 5.2167 5.5370 5.5370 5.7519 5.7519 6.0063 6.0063 7.0520 7.0520 7.2088 7.2088 7.6229 7.6229 10.2648 10.2648 10.4019 10.4019 10.6111 10.6111 11.3243 11.3243 12.1008 12.1008 k = 0.1207-0.0128-0.0116 ( 6290 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3331 -13.3331 -12.3174 -12.3174 -12.3113 -12.3113 -12.3100 -12.3100 -12.3091 -12.3091 -12.2917 -12.2917 -12.2863 -12.2863 -5.8486 -5.8486 -3.4660 -3.4660 -3.3503 -3.3503 -0.7176 -0.7176 -0.3128 -0.3128 0.0709 0.0709 1.3366 1.3366 3.1058 3.1058 3.2368 3.2368 4.0396 4.0396 4.1162 4.1162 4.6894 4.6894 5.0290 5.0290 5.2768 5.2768 5.5256 5.5256 5.6770 5.6770 6.1042 6.1042 7.0223 7.0223 7.1840 7.1840 7.7343 7.7343 10.2807 10.2807 10.4689 10.4689 10.6699 10.6699 11.3704 11.3704 12.0335 12.0335 k = 0.1379-0.0146-0.0133 ( 6278 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3331 -13.3331 -12.3173 -12.3173 -12.3114 -12.3114 -12.3099 -12.3099 -12.3090 -12.3090 -12.2916 -12.2916 -12.2864 -12.2864 -5.8349 -5.8349 -3.4953 -3.4953 -3.3456 -3.3456 -0.7585 -0.7585 -0.3217 -0.3217 0.1157 0.1157 1.3738 1.3738 3.0803 3.0803 3.2344 3.2344 4.0362 4.0362 4.0685 4.0685 4.6598 4.6598 5.0369 5.0369 5.3420 5.3420 5.5133 5.5133 5.6012 5.6012 6.2120 6.2120 6.9920 6.9920 7.1562 7.1562 7.8510 7.8510 10.2976 10.2976 10.5443 10.5443 10.7366 10.7366 11.4201 11.4201 11.9566 11.9566 k = 0.1552-0.0164-0.0149 ( 6273 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3335 -13.3335 -13.3330 -13.3330 -12.3172 -12.3172 -12.3114 -12.3114 -12.3098 -12.3098 -12.3089 -12.3089 -12.2916 -12.2916 -12.2865 -12.2865 -5.8196 -5.8196 -3.5279 -3.5279 -3.3405 -3.3405 -0.7958 -0.7958 -0.3317 -0.3317 0.1554 0.1554 1.4168 1.4168 3.0559 3.0559 3.2312 3.2312 4.0204 4.0204 4.0341 4.0341 4.6213 4.6213 5.0471 5.0471 5.4037 5.4037 5.4953 5.4953 5.5445 5.5445 6.3205 6.3205 6.9658 6.9658 7.1261 7.1261 7.9708 7.9708 10.3154 10.3154 10.6272 10.6272 10.8099 10.8099 11.4711 11.4711 11.8732 11.8732 k = 0.1724-0.0183-0.0166 ( 6277 PWs) bands (ev): -13.3394 -13.3394 -13.3387 -13.3387 -13.3335 -13.3335 -13.3330 -13.3330 -12.3170 -12.3170 -12.3115 -12.3115 -12.3097 -12.3097 -12.3088 -12.3088 -12.2915 -12.2915 -12.2866 -12.2866 -5.8026 -5.8026 -3.5634 -3.5634 -3.3350 -3.3350 -0.8293 -0.8293 -0.3425 -0.3425 0.1896 0.1896 1.4654 1.4654 3.0332 3.0332 3.2271 3.2271 3.9854 3.9854 4.0201 4.0201 4.5755 4.5755 5.0559 5.0559 5.4186 5.4186 5.4674 5.4674 5.5592 5.5592 6.4202 6.4202 6.9519 6.9519 7.0947 7.0947 8.0921 8.0921 10.3341 10.3341 10.7169 10.7169 10.8882 10.8882 11.5176 11.5176 11.7906 11.7906 k = 0.1897-0.0201-0.0183 ( 6275 PWs) bands (ev): -13.3394 -13.3394 -13.3386 -13.3386 -13.3335 -13.3335 -13.3329 -13.3329 -12.3169 -12.3169 -12.3116 -12.3116 -12.3096 -12.3096 -12.3088 -12.3088 -12.2914 -12.2914 -12.2867 -12.2867 -5.7842 -5.7842 -3.6016 -3.6016 -3.3290 -3.3290 -0.8591 -0.8591 -0.3541 -0.3541 0.2182 0.2182 1.5194 1.5194 3.0128 3.0128 3.2219 3.2219 3.9542 3.9542 4.0037 4.0037 4.5238 4.5238 5.0571 5.0571 5.3756 5.3756 5.4619 5.4619 5.6297 5.6297 6.4969 6.4969 6.9614 6.9614 7.0648 7.0648 8.2133 8.2133 10.3538 10.3538 10.8123 10.8123 10.9695 10.9695 11.5387 11.5387 11.7315 11.7315 k = 0.2069-0.0219-0.0199 ( 6280 PWs) bands (ev): -13.3394 -13.3394 -13.3386 -13.3386 -13.3335 -13.3335 -13.3329 -13.3329 -12.3167 -12.3167 -12.3116 -12.3116 -12.3095 -12.3095 -12.3087 -12.3087 -12.2914 -12.2914 -12.2868 -12.2868 -5.7643 -5.7643 -3.6421 -3.6421 -3.3228 -3.3228 -0.8852 -0.8852 -0.3665 -0.3665 0.2411 0.2411 1.5783 1.5783 2.9952 2.9952 3.2159 3.2159 3.9286 3.9286 3.9830 3.9830 4.4680 4.4680 5.0432 5.0432 5.3411 5.3411 5.4561 5.4561 5.7186 5.7186 6.5377 6.5377 6.9859 6.9859 7.0586 7.0586 8.3330 8.3330 10.3745 10.3745 10.9122 10.9122 11.0514 11.0514 11.4962 11.4962 11.7369 11.7369 k = 0.2241-0.0237-0.0216 ( 6280 PWs) bands (ev): -13.3393 -13.3393 -13.3386 -13.3386 -13.3334 -13.3334 -13.3328 -13.3328 -12.3166 -12.3166 -12.3117 -12.3117 -12.3094 -12.3094 -12.3086 -12.3086 -12.2913 -12.2913 -12.2869 -12.2869 -5.7432 -5.7432 -3.6845 -3.6845 -3.3163 -3.3163 -0.9076 -0.9076 -0.3794 -0.3794 0.2587 0.2587 1.6417 1.6417 2.9808 2.9808 3.2093 3.2093 3.9078 3.9078 3.9580 3.9580 4.4097 4.4097 5.0107 5.0107 5.3269 5.3269 5.4512 5.4512 5.8149 5.8149 6.5448 6.5448 6.9687 6.9687 7.1315 7.1315 8.4498 8.4498 10.3961 10.3961 11.0152 11.0152 11.1305 11.1305 11.4126 11.4126 11.7884 11.7884 k = 0.2414-0.0256-0.0232 ( 6271 PWs) bands (ev): -13.3393 -13.3393 -13.3386 -13.3386 -13.3334 -13.3334 -13.3328 -13.3328 -12.3164 -12.3164 -12.3118 -12.3118 -12.3093 -12.3093 -12.3085 -12.3085 -12.2912 -12.2912 -12.2871 -12.2871 -5.7208 -5.7208 -3.7285 -3.7285 -3.3096 -3.3096 -0.9267 -0.9267 -0.3927 -0.3927 0.2713 0.2713 1.7089 1.7089 2.9697 2.9697 3.2026 3.2026 3.8905 3.8905 3.9291 3.9291 4.3505 4.3505 4.9639 4.9639 5.3287 5.3287 5.4486 5.4486 5.9157 5.9157 6.5326 6.5326 6.9342 6.9342 7.2459 7.2459 8.5620 8.5620 10.4183 10.4183 11.1190 11.1190 11.1979 11.1979 11.3268 11.3268 11.8570 11.8570 k = 0.2586-0.0274-0.0249 ( 6270 PWs) bands (ev): -13.3392 -13.3392 -13.3386 -13.3386 -13.3333 -13.3333 -13.3327 -13.3327 -12.3162 -12.3162 -12.3119 -12.3119 -12.3092 -12.3092 -12.3084 -12.3084 -12.2911 -12.2911 -12.2872 -12.2872 -5.6974 -5.6974 -3.7736 -3.7736 -3.3029 -3.3029 -0.9426 -0.9426 -0.4063 -0.4063 0.2793 0.2793 1.7793 1.7793 2.9621 2.9621 3.1961 3.1961 3.8742 3.8742 3.8968 3.8968 4.2928 4.2928 4.9103 4.9103 5.3380 5.3380 5.4485 5.4485 6.0191 6.0191 6.5138 6.5138 6.8964 6.8964 7.3761 7.3761 8.6680 8.6680 10.4410 10.4410 11.1899 11.1899 11.2250 11.2250 11.3075 11.3075 11.9346 11.9346 k = 0.2759-0.0292-0.0266 ( 6269 PWs) bands (ev): -13.3392 -13.3392 -13.3386 -13.3386 -13.3333 -13.3333 -13.3327 -13.3327 -12.3161 -12.3161 -12.3120 -12.3120 -12.3091 -12.3091 -12.3083 -12.3083 -12.2910 -12.2910 -12.2873 -12.2873 -5.6732 -5.6732 -3.8194 -3.8194 -3.2961 -3.2961 -0.9555 -0.9555 -0.4200 -0.4200 0.2833 0.2833 1.8522 1.8522 2.9581 2.9581 3.1905 3.1905 3.8536 3.8536 3.8639 3.8639 4.2392 4.2392 4.8556 4.8556 5.3485 5.3485 5.4503 5.4503 6.1241 6.1241 6.4966 6.4966 6.8578 6.8578 7.5124 7.5124 8.7663 8.7663 10.4637 10.4637 11.1178 11.1178 11.3173 11.3173 11.3591 11.3591 12.0187 12.0187 k = 0.2931-0.0311-0.0282 ( 6264 PWs) bands (ev): -13.3392 -13.3392 -13.3386 -13.3386 -13.3332 -13.3332 -13.3327 -13.3327 -12.3159 -12.3159 -12.3121 -12.3121 -12.3090 -12.3090 -12.3082 -12.3082 -12.2909 -12.2909 -12.2875 -12.2875 -5.6483 -5.6483 -3.8653 -3.8653 -3.2893 -3.2893 -0.9657 -0.9657 -0.4337 -0.4337 0.2839 0.2839 1.9270 1.9270 2.9579 2.9579 3.1860 3.1860 3.8189 3.8189 3.8369 3.8369 4.1928 4.1928 4.8033 4.8033 5.3563 5.3563 5.4532 5.4532 6.2294 6.2294 6.4863 6.4863 6.8194 6.8194 7.6494 7.6494 8.8554 8.8554 10.4857 10.4857 11.0464 11.0464 11.3885 11.3885 11.4211 11.4211 12.1066 12.1066 k = 0.3103-0.0329-0.0299 ( 6268 PWs) bands (ev): -13.3391 -13.3391 -13.3386 -13.3386 -13.3332 -13.3332 -13.3326 -13.3326 -12.3157 -12.3157 -12.3122 -12.3122 -12.3089 -12.3089 -12.3081 -12.3081 -12.2908 -12.2908 -12.2876 -12.2876 -5.6231 -5.6231 -3.9110 -3.9110 -3.2828 -3.2828 -0.9734 -0.9734 -0.4471 -0.4471 0.2817 0.2817 2.0030 2.0030 2.9612 2.9612 3.1830 3.1830 3.7780 3.7780 3.8048 3.8048 4.1563 4.1563 4.7560 4.7560 5.3586 5.3586 5.4560 5.4560 6.3337 6.3337 6.4861 6.4861 6.7820 6.7820 7.7824 7.7824 8.9350 8.9350 10.5063 10.5063 10.9896 10.9896 11.4304 11.4304 11.4819 11.4819 12.1937 12.1937 k = 0.3276-0.0347-0.0315 ( 6269 PWs) bands (ev): -13.3391 -13.3391 -13.3386 -13.3386 -13.3331 -13.3331 -13.3326 -13.3326 -12.3155 -12.3155 -12.3123 -12.3123 -12.3088 -12.3088 -12.3080 -12.3080 -12.2907 -12.2907 -12.2878 -12.2878 -5.5978 -5.5978 -3.9558 -3.9558 -3.2764 -3.2764 -0.9791 -0.9791 -0.4601 -0.4601 0.2771 0.2771 2.0798 2.0798 2.9681 2.9681 3.1818 3.1818 3.7345 3.7345 3.7628 3.7628 4.1304 4.1304 4.7157 4.7157 5.3534 5.3534 5.4588 5.4588 6.4349 6.4349 6.4984 6.4984 6.7468 6.7468 7.9064 7.9064 9.0061 9.0061 10.5247 10.5247 10.9514 10.9514 11.4564 11.4564 11.5154 11.5154 12.2726 12.2726 k = 0.3448-0.0365-0.0332 ( 6271 PWs) bands (ev): -13.3390 -13.3390 -13.3386 -13.3386 -13.3331 -13.3331 -13.3326 -13.3326 -12.3153 -12.3153 -12.3124 -12.3124 -12.3087 -12.3087 -12.3079 -12.3079 -12.2906 -12.2906 -12.2879 -12.2879 -5.5726 -5.5726 -3.9992 -3.9992 -3.2703 -3.2703 -0.9829 -0.9829 -0.4725 -0.4725 0.2709 0.2709 2.1567 2.1567 2.9785 2.9785 3.1822 3.1822 3.6887 3.6887 3.7122 3.7122 4.1129 4.1129 4.6843 4.6843 5.3385 5.3385 5.4627 5.4627 6.5110 6.5110 6.5422 6.5422 6.7161 6.7161 8.0157 8.0157 9.0721 9.0721 10.5408 10.5408 10.9327 10.9327 11.4696 11.4696 11.5108 11.5108 12.3322 12.3322 k = 0.3621-0.0384-0.0349 ( 6275 PWs) bands (ev): -13.3390 -13.3390 -13.3386 -13.3386 -13.3330 -13.3330 -13.3326 -13.3326 -12.3151 -12.3151 -12.3125 -12.3125 -12.3086 -12.3086 -12.3078 -12.3078 -12.2905 -12.2905 -12.2881 -12.2881 -5.5481 -5.5481 -4.0407 -4.0407 -3.2646 -3.2646 -0.9853 -0.9853 -0.4841 -0.4841 0.2636 0.2636 2.2331 2.2331 2.9920 2.9920 3.1844 3.1844 3.6384 3.6384 3.6582 3.6582 4.1004 4.1004 4.6633 4.6633 5.3134 5.3134 5.4684 5.4684 6.5428 6.5428 6.6268 6.6268 6.6982 6.6982 8.1041 8.1041 9.1386 9.1386 10.5553 10.5553 10.9308 10.9308 11.4663 11.4663 11.4762 11.4762 12.3653 12.3653 k = 0.3793-0.0402-0.0365 ( 6270 PWs) bands (ev): -13.3390 -13.3390 -13.3386 -13.3386 -13.3330 -13.3330 -13.3325 -13.3325 -12.3150 -12.3150 -12.3127 -12.3127 -12.3085 -12.3085 -12.3078 -12.3078 -12.2903 -12.2903 -12.2882 -12.2882 -5.5247 -5.5247 -4.0795 -4.0795 -3.2594 -3.2594 -0.9864 -0.9864 -0.4949 -0.4949 0.2557 0.2557 2.3084 2.3084 3.0086 3.0086 3.1880 3.1880 3.5798 3.5798 3.6081 3.6081 4.0897 4.0897 4.6536 4.6536 5.2792 5.2792 5.4758 5.4758 6.5646 6.5646 6.6692 6.6692 6.7385 6.7385 8.1662 8.1662 9.2118 9.2118 10.5691 10.5691 10.9399 10.9399 11.4075 11.4075 11.4642 11.4642 12.3672 12.3672 k = 0.3966-0.0420-0.0382 ( 6268 PWs) bands (ev): -13.3389 -13.3389 -13.3386 -13.3386 -13.3329 -13.3329 -13.3325 -13.3325 -12.3148 -12.3148 -12.3128 -12.3128 -12.3084 -12.3084 -12.3077 -12.3077 -12.2902 -12.2902 -12.2884 -12.2884 -5.5027 -5.5027 -4.1151 -4.1151 -3.2547 -3.2547 -0.9867 -0.9867 -0.5045 -0.5045 0.2477 0.2477 2.3819 2.3819 3.0277 3.0277 3.1926 3.1926 3.5159 3.5159 3.5620 3.5620 4.0787 4.0787 4.6554 4.6554 5.2378 5.2378 5.4842 5.4842 6.5644 6.5644 6.6991 6.6991 6.8156 6.8156 8.2000 8.2000 9.2961 9.2961 10.5832 10.5832 10.9515 10.9515 11.3354 11.3354 11.4480 11.4480 12.3432 12.3432 k = 0.4138-0.0438-0.0398 ( 6264 PWs) bands (ev): -13.3389 -13.3389 -13.3386 -13.3386 -13.3329 -13.3329 -13.3325 -13.3325 -12.3146 -12.3146 -12.3129 -12.3129 -12.3083 -12.3083 -12.3077 -12.3077 -12.2901 -12.2901 -12.2885 -12.2885 -5.4829 -5.4829 -4.1468 -4.1468 -3.2506 -3.2506 -0.9864 -0.9864 -0.5129 -0.5129 0.2400 0.2400 2.4526 2.4526 3.0488 3.0488 3.1980 3.1980 3.4514 3.4514 3.5183 3.5183 4.0671 4.0671 4.6678 4.6678 5.1917 5.1917 5.4929 5.4929 6.5499 6.5499 6.7454 6.7454 6.8883 6.8883 8.2080 8.2080 9.3912 9.3912 10.5979 10.5979 10.9556 10.9556 11.2629 11.2629 11.4289 11.4289 12.3091 12.3091 k = 0.4310-0.0457-0.0415 ( 6264 PWs) bands (ev): -13.3389 -13.3389 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3144 -12.3144 -12.3131 -12.3131 -12.3083 -12.3083 -12.3076 -12.3076 -12.2899 -12.2899 -12.2887 -12.2887 -5.4656 -5.4656 -4.1739 -4.1739 -3.2472 -3.2472 -0.9857 -0.9857 -0.5200 -0.5200 0.2331 0.2331 2.5187 2.5187 3.0711 3.0711 3.2037 3.2037 3.3890 3.3890 3.4775 3.4775 4.0552 4.0552 4.6890 4.6890 5.1433 5.1433 5.5010 5.5010 6.5325 6.5325 6.7969 6.7969 6.9514 6.9514 8.1969 8.1969 9.4922 9.4922 10.6131 10.6131 10.9432 10.9432 11.1966 11.1966 11.4129 11.4129 12.2785 12.2785 k = 0.4483-0.0475-0.0432 ( 6267 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3142 -12.3142 -12.3132 -12.3132 -12.3082 -12.3082 -12.3076 -12.3076 -12.2898 -12.2898 -12.2888 -12.2888 -5.4514 -5.4514 -4.1958 -4.1958 -3.2445 -3.2445 -0.9849 -0.9849 -0.5256 -0.5256 0.2274 0.2274 2.5780 2.5780 3.0933 3.0933 3.2091 3.2091 3.3320 3.3320 3.4406 3.4406 4.0442 4.0442 4.7163 4.7163 5.0953 5.0953 5.5081 5.5081 6.5169 6.5169 6.8456 6.8456 7.0027 7.0027 8.1754 8.1754 9.5908 9.5908 10.6290 10.6290 10.9109 10.9109 11.1409 11.1409 11.4044 11.4044 12.2577 12.2577 k = 0.4655-0.0493-0.0448 ( 6261 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3141 -12.3141 -12.3134 -12.3134 -12.3082 -12.3082 -12.3076 -12.3076 -12.2897 -12.2897 -12.2890 -12.2890 -5.4409 -5.4409 -4.2119 -4.2119 -3.2425 -3.2425 -0.9842 -0.9842 -0.5296 -0.5296 0.2231 0.2231 2.6268 2.6268 3.1133 3.1133 3.2139 3.2139 3.2843 3.2843 3.4100 3.4100 4.0353 4.0353 4.7456 4.7456 5.0514 5.0514 5.5135 5.5135 6.5050 6.5050 6.8858 6.8858 7.0406 7.0406 8.1522 8.1522 9.6763 9.6763 10.6457 10.6457 10.8652 10.8652 11.0991 11.0991 11.4030 11.4030 12.2472 12.2472 k = 0.4828-0.0511-0.0465 ( 6253 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3139 -12.3139 -12.3135 -12.3135 -12.3082 -12.3082 -12.3075 -12.3075 -12.2896 -12.2896 -12.2891 -12.2891 -5.4344 -5.4344 -4.2218 -4.2218 -3.2413 -3.2413 -0.9837 -0.9837 -0.5321 -0.5321 0.2204 0.2204 2.6598 2.6598 3.1279 3.1279 3.2176 3.2176 3.2512 3.2512 3.3890 3.3890 4.0295 4.0295 4.7703 4.7703 5.0181 5.0181 5.5170 5.5170 6.4975 6.4975 6.9123 6.9123 7.0639 7.0639 8.1348 8.1348 9.7357 9.7357 10.6623 10.6623 10.8214 10.8214 11.0732 11.0732 11.4045 11.4045 12.2436 12.2436 k = 0.5000-0.0530-0.0481 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3327 -13.3327 -13.3325 -13.3325 -12.3139 -12.3139 -12.3136 -12.3136 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4322 -5.4322 -4.2251 -4.2251 -3.2409 -3.2409 -0.9836 -0.9836 -0.5329 -0.5329 0.2195 0.2195 2.6717 2.6717 3.1335 3.1335 3.2196 3.2196 3.2386 3.2386 3.3813 3.3813 4.0275 4.0275 4.7806 4.7806 5.0050 5.0050 5.5182 5.5182 6.4950 6.4950 6.9216 6.9216 7.0717 7.0717 8.1283 8.1283 9.7572 9.7572 10.6708 10.6708 10.8017 10.8017 11.0644 11.0644 11.4054 11.4054 12.2430 12.2430 k = 0.5000-0.0530-0.0481 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3327 -13.3327 -13.3325 -13.3325 -12.3139 -12.3139 -12.3136 -12.3136 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4322 -5.4322 -4.2251 -4.2251 -3.2409 -3.2409 -0.9836 -0.9836 -0.5329 -0.5329 0.2195 0.2195 2.6717 2.6717 3.1335 3.1335 3.2196 3.2196 3.2386 3.2386 3.3813 3.3813 4.0275 4.0275 4.7806 4.7806 5.0050 5.0050 5.5182 5.5182 6.4950 6.4950 6.9216 6.9216 7.0717 7.0717 8.1283 8.1283 9.7572 9.7572 10.6708 10.6708 10.8017 10.8017 11.0644 11.0644 11.4054 11.4054 12.2430 12.2430 k = 0.5000-0.0414-0.0608 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3327 -13.3327 -13.3325 -13.3325 -12.3139 -12.3139 -12.3135 -12.3135 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4315 -5.4315 -4.2243 -4.2243 -3.2430 -3.2430 -0.9822 -0.9822 -0.5393 -0.5393 0.2240 0.2240 2.6700 2.6700 3.1266 3.1266 3.2006 3.2006 3.2455 3.2455 3.3999 3.3999 4.0308 4.0308 4.7815 4.7815 5.0065 5.0065 5.5188 5.5188 6.4927 6.4927 6.9204 6.9204 7.0734 7.0734 8.1316 8.1316 9.7594 9.7594 10.6759 10.6759 10.7996 10.7996 11.0624 11.0624 11.4110 11.4110 12.2408 12.2408 k = 0.5000-0.0299-0.0735 ( 6256 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3327 -13.3327 -13.3325 -13.3325 -12.3140 -12.3140 -12.3134 -12.3134 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4291 -5.4291 -4.2218 -4.2218 -3.2492 -3.2492 -0.9782 -0.9782 -0.5576 -0.5576 0.2367 0.2367 2.6651 2.6651 3.1095 3.1095 3.1620 3.1620 3.2572 3.2572 3.4427 3.4427 4.0411 4.0411 4.7844 4.7844 5.0113 5.0113 5.5207 5.5207 6.4858 6.4858 6.9167 6.9167 7.0785 7.0785 8.1414 8.1414 9.7661 9.7661 10.6913 10.6913 10.7933 10.7933 11.0566 11.0566 11.4276 11.4276 12.2340 12.2340 k = 0.5000-0.0184-0.0862 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3140 -12.3140 -12.3134 -12.3134 -12.3081 -12.3081 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4252 -5.4252 -4.2177 -4.2177 -3.2593 -3.2593 -0.9716 -0.9716 -0.5865 -0.5865 0.2560 0.2560 2.6565 2.6565 3.0853 3.0853 3.1211 3.1211 3.2673 3.2673 3.4953 3.4953 4.0589 4.0589 4.7891 4.7891 5.0193 5.0193 5.5241 5.5241 6.4750 6.4750 6.9107 6.9107 7.0868 7.0868 8.1572 8.1572 9.7768 9.7768 10.7170 10.7170 10.7828 10.7828 11.0469 11.0469 11.4550 11.4550 12.2226 12.2226 k = 0.5000-0.0068-0.0989 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3141 -12.3141 -12.3133 -12.3133 -12.3081 -12.3081 -12.3074 -12.3074 -12.2895 -12.2895 -12.2892 -12.2892 -5.4198 -5.4198 -4.2120 -4.2120 -3.2733 -3.2733 -0.9628 -0.9628 -0.6238 -0.6238 0.2797 0.2797 2.6438 2.6438 3.0497 3.0497 3.0919 3.0919 3.2716 3.2716 3.5523 3.5523 4.0849 4.0849 4.7958 4.7958 5.0305 5.0305 5.5295 5.5295 6.4611 6.4611 6.9025 6.9025 7.0983 7.0983 8.1785 8.1785 9.7910 9.7910 10.7528 10.7528 10.7680 10.7680 11.0336 11.0336 11.4925 11.4925 12.2061 12.2061 k = 0.5000 0.0047-0.1116 ( 6260 PWs) bands (ev): -13.3387 -13.3387 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3142 -12.3142 -12.3132 -12.3132 -12.3081 -12.3081 -12.3074 -12.3074 -12.2895 -12.2895 -12.2892 -12.2892 -5.4129 -5.4129 -4.2047 -4.2047 -3.2907 -3.2907 -0.9521 -0.9521 -0.6675 -0.6675 0.3055 0.3055 2.6258 2.6258 3.0069 3.0069 3.0758 3.0758 3.2672 3.2672 3.6120 3.6120 4.1195 4.1195 4.8046 4.8046 5.0450 5.0450 5.5371 5.5371 6.4453 6.4453 6.8922 6.8922 7.1128 7.1128 8.2047 8.2047 9.8079 9.8079 10.7491 10.7491 10.7985 10.7985 11.0168 11.0168 11.5393 11.5393 12.1841 12.1841 k = 0.5000 0.0162-0.1243 ( 6260 PWs) bands (ev): -13.3387 -13.3387 -13.3386 -13.3386 -13.3328 -13.3328 -13.3324 -13.3324 -12.3142 -12.3142 -12.3131 -12.3131 -12.3081 -12.3081 -12.3073 -12.3073 -12.2895 -12.2895 -12.2892 -12.2892 -5.4046 -5.4046 -4.1959 -4.1959 -3.3112 -3.3112 -0.9400 -0.9400 -0.7157 -0.7157 0.3315 0.3315 2.6009 2.6009 2.9660 2.9660 3.0679 3.0679 3.2529 3.2529 3.6732 3.6732 4.1628 4.1628 4.8156 4.8156 5.0629 5.0629 5.5474 5.5474 6.4287 6.4287 6.8802 6.8802 7.1300 7.1300 8.2350 8.2350 9.8269 9.8269 10.7263 10.7263 10.8537 10.8537 10.9969 10.9969 11.5938 11.5938 12.1562 12.1562 k = 0.5000 0.0278-0.1370 ( 6264 PWs) bands (ev): -13.3387 -13.3387 -13.3385 -13.3385 -13.3328 -13.3328 -13.3324 -13.3324 -12.3143 -12.3143 -12.3130 -12.3130 -12.3080 -12.3080 -12.3072 -12.3072 -12.2895 -12.2895 -12.2893 -12.2893 -5.3948 -5.3948 -4.1855 -4.1855 -3.3345 -3.3345 -0.9268 -0.9268 -0.7671 -0.7671 0.3560 0.3560 2.5669 2.5669 2.9317 2.9317 3.0674 3.0674 3.2281 3.2281 3.7354 3.7354 4.2142 4.2142 4.8288 4.8288 5.0841 5.0841 5.5610 5.5610 6.4125 6.4125 6.8667 6.8667 7.1497 7.1497 8.2688 8.2688 9.8470 9.8470 10.6998 10.6998 10.9176 10.9176 10.9740 10.9740 11.6544 11.6544 12.1219 12.1219 k = 0.5000 0.0393-0.1497 ( 6270 PWs) bands (ev): -13.3387 -13.3387 -13.3385 -13.3385 -13.3328 -13.3328 -13.3323 -13.3323 -12.3143 -12.3143 -12.3129 -12.3129 -12.3079 -12.3079 -12.3071 -12.3071 -12.2895 -12.2895 -12.2893 -12.2893 -5.3837 -5.3837 -4.1736 -4.1736 -3.3602 -3.3602 -0.9131 -0.9131 -0.8203 -0.8203 0.3778 0.3778 2.5220 2.5220 2.9070 2.9070 3.0736 3.0736 3.1940 3.1940 3.7982 3.7982 4.2729 4.2729 4.8443 4.8443 5.1087 5.1087 5.5782 5.5782 6.3981 6.3981 6.8519 6.8519 7.1717 7.1717 8.3056 8.3056 9.8678 9.8678 10.6699 10.6699 10.9480 10.9480 10.9898 10.9898 11.7187 11.7187 12.0809 12.0809 k = 0.5000 0.0509-0.1624 ( 6270 PWs) bands (ev): -13.3386 -13.3386 -13.3385 -13.3385 -13.3328 -13.3328 -13.3323 -13.3323 -12.3144 -12.3144 -12.3128 -12.3128 -12.3079 -12.3079 -12.3070 -12.3070 -12.2895 -12.2895 -12.2893 -12.2893 -5.3712 -5.3712 -4.1603 -4.1603 -3.3878 -3.3878 -0.8996 -0.8996 -0.8744 -0.8744 0.3958 0.3958 2.4658 2.4658 2.8933 2.8933 3.0824 3.0824 3.1555 3.1555 3.8611 3.8611 4.3378 4.3378 4.8622 4.8622 5.1367 5.1367 5.5995 5.5995 6.3865 6.3865 6.8361 6.8361 7.1957 7.1957 8.3448 8.3448 9.8887 9.8887 10.6371 10.6371 10.9200 10.9200 11.0676 11.0676 11.7837 11.7837 12.0333 12.0333 k = 0.5000 0.0624-0.1751 ( 6266 PWs) bands (ev): -13.3386 -13.3386 -13.3385 -13.3385 -13.3328 -13.3328 -13.3323 -13.3323 -12.3144 -12.3144 -12.3127 -12.3127 -12.3078 -12.3078 -12.3069 -12.3069 -12.2895 -12.2895 -12.2894 -12.2894 -5.3576 -5.3576 -4.1457 -4.1457 -3.4169 -3.4169 -0.9292 -0.9292 -0.8858 -0.8858 0.4094 0.4094 2.3991 2.3991 2.8904 2.8904 3.0662 3.0662 3.1413 3.1413 3.9237 3.9237 4.4078 4.4078 4.8825 4.8825 5.1681 5.1681 5.6252 5.6252 6.3786 6.3786 6.8198 6.8198 7.2217 7.2217 8.3861 8.3861 9.9091 9.9091 10.6018 10.6018 10.8898 10.8898 11.1498 11.1498 11.8452 11.8452 11.9805 11.9805 k = 0.5000 0.0739-0.1878 ( 6262 PWs) bands (ev): -13.3386 -13.3386 -13.3384 -13.3384 -13.3328 -13.3328 -13.3322 -13.3322 -12.3144 -12.3144 -12.3126 -12.3126 -12.3077 -12.3077 -12.3069 -12.3069 -12.2895 -12.2895 -12.2894 -12.2894 -5.3428 -5.3428 -4.1297 -4.1297 -3.4471 -3.4471 -0.9831 -0.9831 -0.8734 -0.8734 0.4183 0.4183 2.3235 2.3235 2.8972 2.8972 3.0108 3.0108 3.1665 3.1665 3.9859 3.9859 4.4818 4.4818 4.9051 4.9051 5.2030 5.2030 5.6556 5.6556 6.3755 6.3755 6.8031 6.8031 7.2493 7.2493 8.4292 8.4292 9.9288 9.9288 10.5643 10.5643 10.8578 10.8578 11.2332 11.2332 11.8864 11.8864 11.9365 11.9365 k = 0.5000 0.0855-0.2005 ( 6260 PWs) bands (ev): -13.3385 -13.3385 -13.3384 -13.3384 -13.3328 -13.3328 -13.3322 -13.3322 -12.3144 -12.3144 -12.3126 -12.3126 -12.3076 -12.3076 -12.3068 -12.3068 -12.2895 -12.2895 -12.2894 -12.2894 -5.3270 -5.3270 -4.1125 -4.1125 -3.4779 -3.4779 -1.0361 -1.0361 -0.8622 -0.8622 0.4223 0.4223 2.2407 2.2407 2.9097 2.9097 2.9438 2.9438 3.2074 3.2074 4.0472 4.0472 4.5590 4.5590 4.9299 4.9299 5.2411 5.2411 5.6908 5.6908 6.3778 6.3778 6.7867 6.7867 7.2784 7.2784 8.4739 8.4739 9.9476 9.9476 10.5250 10.5250 10.8243 10.8243 11.3137 11.3137 11.8446 11.8446 11.9620 11.9620 k = 0.5000 0.0970-0.2132 ( 6258 PWs) bands (ev): -13.3385 -13.3385 -13.3383 -13.3383 -13.3327 -13.3327 -13.3321 -13.3321 -12.3144 -12.3144 -12.3125 -12.3125 -12.3075 -12.3075 -12.3067 -12.3067 -12.2896 -12.2896 -12.2894 -12.2894 -5.3102 -5.3102 -4.0941 -4.0941 -3.5091 -3.5091 -1.0877 -1.0877 -0.8526 -0.8526 0.4215 0.4215 2.1520 2.1520 2.8572 2.8572 2.9414 2.9414 3.2581 3.2581 4.1076 4.1076 4.6384 4.6384 4.9568 4.9568 5.2823 5.2823 5.7308 5.7308 6.3861 6.3861 6.7708 6.7708 7.3090 7.3090 8.5200 8.5200 9.9653 9.9653 10.4843 10.4843 10.7895 10.7895 11.3843 11.3843 11.7834 11.7834 11.9945 11.9945 k = 0.5000 0.1085-0.2258 ( 6248 PWs) bands (ev): -13.3385 -13.3385 -13.3383 -13.3383 -13.3327 -13.3327 -13.3321 -13.3321 -12.3143 -12.3143 -12.3124 -12.3124 -12.3074 -12.3074 -12.3066 -12.3066 -12.2896 -12.2896 -12.2894 -12.2894 -5.2926 -5.2926 -4.0747 -4.0747 -3.5400 -3.5400 -1.1376 -1.1376 -0.8449 -0.8449 0.4162 0.4162 2.0587 2.0587 2.7717 2.7717 2.9727 2.9727 3.3173 3.3173 4.1668 4.1668 4.7195 4.7195 4.9856 4.9856 5.3265 5.3265 5.7755 5.7755 6.4011 6.4011 6.7559 6.7559 7.3408 7.3408 8.5676 8.5676 9.9819 9.9819 10.4425 10.4425 10.7537 10.7537 11.4315 11.4315 11.7325 11.7325 12.0114 12.0114 k = 0.5000 0.1201-0.2385 ( 6246 PWs) bands (ev): -13.3385 -13.3385 -13.3382 -13.3382 -13.3327 -13.3327 -13.3320 -13.3320 -12.3143 -12.3143 -12.3123 -12.3123 -12.3072 -12.3072 -12.3065 -12.3065 -12.2897 -12.2897 -12.2894 -12.2894 -5.2744 -5.2744 -4.0544 -4.0544 -3.5705 -3.5705 -1.1855 -1.1855 -0.8393 -0.8393 0.4067 0.4067 1.9617 1.9617 2.6794 2.6794 3.0121 3.0121 3.3839 3.3839 4.2249 4.2249 4.8017 4.8017 5.0160 5.0160 5.3732 5.3732 5.8246 5.8246 6.4230 6.4230 6.7426 6.7426 7.3737 7.3737 8.6165 8.6165 9.9973 9.9973 10.4000 10.4000 10.7171 10.7171 11.4335 11.4335 11.7120 11.7120 12.0086 12.0086 k = 0.5000 0.1316-0.2512 ( 6240 PWs) bands (ev): -13.3384 -13.3384 -13.3382 -13.3382 -13.3327 -13.3327 -13.3319 -13.3319 -12.3142 -12.3142 -12.3123 -12.3123 -12.3071 -12.3071 -12.3064 -12.3064 -12.2897 -12.2897 -12.2894 -12.2894 -5.2556 -5.2556 -4.0332 -4.0332 -3.6001 -3.6001 -1.2310 -1.2310 -0.8359 -0.8359 0.3934 0.3934 1.8619 1.8619 2.5819 2.5819 3.0585 3.0585 3.4571 3.4571 4.2819 4.2819 4.8847 4.8847 5.0479 5.0479 5.4222 5.4222 5.8777 5.8777 6.4521 6.4521 6.7316 6.7316 7.4078 7.4078 8.6668 8.6668 10.0115 10.0115 10.3571 10.3571 10.6801 10.6801 11.3858 11.3858 11.7237 11.7237 11.9839 11.9839 k = 0.5000 0.1431-0.2639 ( 6244 PWs) bands (ev): -13.3384 -13.3384 -13.3381 -13.3381 -13.3327 -13.3327 -13.3319 -13.3319 -12.3142 -12.3142 -12.3122 -12.3122 -12.3070 -12.3070 -12.3063 -12.3063 -12.2898 -12.2898 -12.2894 -12.2894 -5.2365 -5.2365 -4.0113 -4.0113 -3.6285 -3.6285 -1.2738 -1.2738 -0.8349 -0.8349 0.3769 0.3769 1.7599 1.7599 2.4800 2.4800 3.1114 3.1114 3.5361 3.5361 4.3378 4.3378 4.9682 4.9682 5.0811 5.0811 5.4730 5.4730 5.9341 5.9341 6.4887 6.4887 6.7236 6.7236 7.4428 7.4428 8.7184 8.7184 10.0245 10.0245 10.3141 10.3141 10.6427 10.6427 11.3093 11.3093 11.7431 11.7431 11.9377 11.9377 k = 0.5000 0.1547-0.2766 ( 6248 PWs) bands (ev): -13.3384 -13.3384 -13.3380 -13.3380 -13.3327 -13.3327 -13.3318 -13.3318 -12.3141 -12.3141 -12.3121 -12.3121 -12.3069 -12.3069 -12.3062 -12.3062 -12.2899 -12.2899 -12.2893 -12.2893 -5.2172 -5.2172 -3.9888 -3.9888 -3.6554 -3.6554 -1.3138 -1.3138 -0.8363 -0.8363 0.3576 0.3576 1.6565 1.6565 2.3744 2.3744 3.1703 3.1703 3.6200 3.6200 4.3929 4.3929 5.0516 5.0516 5.1159 5.1159 5.5250 5.5250 5.9930 5.9930 6.5327 6.5327 6.7195 6.7195 7.4788 7.4788 8.7713 8.7713 10.0364 10.0364 10.2713 10.2713 10.6051 10.6051 11.2197 11.2197 11.7485 11.7485 11.8729 11.8729 k = 0.5000 0.1662-0.2893 ( 6254 PWs) bands (ev): -13.3384 -13.3384 -13.3380 -13.3380 -13.3327 -13.3327 -13.3317 -13.3317 -12.3140 -12.3140 -12.3121 -12.3121 -12.3067 -12.3067 -12.3061 -12.3061 -12.2900 -12.2900 -12.2893 -12.2893 -5.1979 -5.1979 -3.9659 -3.9659 -3.6804 -3.6804 -1.3506 -1.3506 -0.8400 -0.8400 0.3360 0.3360 1.5522 1.5522 2.2658 2.2658 3.2349 3.2349 3.7079 3.7079 4.4473 4.4473 5.1290 5.1290 5.1578 5.1578 5.5781 5.5781 6.0530 6.0530 6.5837 6.5837 6.7209 6.7209 7.5156 7.5156 8.8255 8.8255 10.0469 10.0469 10.2291 10.2291 10.5676 10.5676 11.1240 11.1240 11.7233 11.7233 11.7955 11.7955 k = 0.5000 0.1777-0.3020 ( 6260 PWs) bands (ev): -13.3383 -13.3383 -13.3379 -13.3379 -13.3327 -13.3327 -13.3317 -13.3317 -12.3139 -12.3139 -12.3120 -12.3120 -12.3066 -12.3066 -12.3060 -12.3060 -12.2900 -12.2900 -12.2893 -12.2893 -5.1789 -5.1789 -3.9427 -3.9427 -3.7033 -3.7033 -1.3842 -1.3842 -0.8461 -0.8461 0.3125 0.3125 1.4476 1.4476 2.1547 2.1547 3.3046 3.3046 3.7991 3.7991 4.5012 4.5012 5.1765 5.1765 5.2309 5.2309 5.6317 5.6317 6.1127 6.1127 6.6405 6.6405 6.7299 6.7299 7.5532 7.5532 8.8811 8.8811 10.0556 10.0556 10.1882 10.1882 10.5301 10.5301 11.0253 11.0253 11.6580 11.6580 11.7107 11.7107 k = 0.5000 0.1893-0.3147 ( 6252 PWs) bands (ev): -13.3383 -13.3383 -13.3378 -13.3378 -13.3327 -13.3327 -13.3316 -13.3316 -12.3138 -12.3138 -12.3119 -12.3119 -12.3065 -12.3065 -12.3059 -12.3059 -12.2901 -12.2901 -12.2893 -12.2893 -5.1603 -5.1603 -3.9193 -3.9193 -3.7237 -3.7237 -1.4142 -1.4142 -0.8544 -0.8544 0.2877 0.2877 1.3432 1.3432 2.0417 2.0417 3.3789 3.3789 3.8925 3.8925 4.5549 4.5549 5.2125 5.2125 5.3165 5.3165 5.6859 5.6859 6.1704 6.1704 6.6985 6.6985 6.7525 6.7525 7.5915 7.5915 8.9379 8.9379 10.0610 10.0610 10.1503 10.1503 10.4929 10.4929 10.9255 10.9255 11.5649 11.5649 11.6155 11.6155 k = 0.5000 0.2008-0.3274 ( 6248 PWs) bands (ev): -13.3383 -13.3383 -13.3377 -13.3377 -13.3327 -13.3327 -13.3315 -13.3315 -12.3137 -12.3137 -12.3119 -12.3119 -12.3064 -12.3064 -12.3058 -12.3058 -12.2902 -12.2902 -12.2893 -12.2893 -5.1423 -5.1423 -3.8960 -3.8960 -3.7415 -3.7415 -1.4405 -1.4405 -0.8648 -0.8648 0.2619 0.2619 1.2395 1.2395 1.9274 1.9274 3.4571 3.4571 3.9874 3.9874 4.6086 4.6086 5.2471 5.2471 5.4044 5.4044 5.7407 5.7407 6.2242 6.2242 6.7450 6.7450 6.8022 6.8022 7.6303 7.6303 8.9958 8.9958 10.0578 10.0578 10.1206 10.1206 10.4560 10.4560 10.8260 10.8260 11.4601 11.4601 11.5097 11.5097 k = 0.5000 0.2124-0.3401 ( 6256 PWs) bands (ev): -13.3383 -13.3383 -13.3377 -13.3377 -13.3326 -13.3326 -13.3315 -13.3315 -12.3135 -12.3135 -12.3118 -12.3118 -12.3063 -12.3063 -12.3057 -12.3057 -12.2903 -12.2903 -12.2893 -12.2893 -5.1252 -5.1252 -3.8729 -3.8729 -3.7564 -3.7564 -1.4630 -1.4630 -0.8773 -0.8773 0.2355 0.2355 1.1371 1.1371 1.8122 1.8122 3.5385 3.5385 4.0829 4.0829 4.6624 4.6624 5.2812 5.2812 5.4933 5.4933 5.7967 5.7967 6.2724 6.2724 6.7850 6.7850 6.8744 6.8744 7.6696 7.6696 9.0549 9.0549 10.0373 10.0373 10.1078 10.1078 10.4194 10.4194 10.7279 10.7279 11.3509 11.3509 11.3980 11.3980 k = 0.5000 0.2239-0.3528 ( 6258 PWs) bands (ev): -13.3383 -13.3383 -13.3376 -13.3376 -13.3326 -13.3326 -13.3314 -13.3314 -12.3134 -12.3134 -12.3117 -12.3117 -12.3062 -12.3062 -12.3056 -12.3056 -12.2903 -12.2903 -12.2893 -12.2893 -5.1091 -5.1091 -3.8502 -3.8502 -3.7682 -3.7682 -1.4815 -1.4815 -0.8917 -0.8917 0.2088 0.2088 1.0364 1.0364 1.6966 1.6966 3.6224 3.6224 4.1783 4.1783 4.7165 4.7165 5.3149 5.3149 5.5823 5.5823 5.8551 5.8551 6.3144 6.3144 6.8312 6.8312 6.9560 6.9560 7.7093 7.7093 9.1148 9.1148 10.0046 10.0046 10.1063 10.1063 10.3831 10.3831 10.6326 10.6326 11.2404 11.2404 11.2839 11.2839 k = 0.5000 0.2354-0.3655 ( 6260 PWs) bands (ev): -13.3383 -13.3383 -13.3375 -13.3375 -13.3326 -13.3326 -13.3313 -13.3313 -12.3133 -12.3133 -12.3116 -12.3116 -12.3061 -12.3061 -12.3056 -12.3056 -12.2904 -12.2904 -12.2893 -12.2893 -5.0942 -5.0942 -3.8280 -3.8280 -3.7768 -3.7768 -1.4959 -1.4959 -0.9078 -0.9078 0.1821 0.1821 0.9379 0.9379 1.5810 1.5810 3.7080 3.7080 4.2727 4.2727 4.7709 4.7709 5.3484 5.3484 5.6695 5.6695 5.9179 5.9179 6.3503 6.3503 6.8861 6.8861 7.0431 7.0431 7.7492 7.7492 9.1752 9.1752 9.9683 9.9683 10.1063 10.1063 10.3470 10.3470 10.5416 10.5416 11.1307 11.1307 11.1698 11.1698 k = 0.5000 0.2470-0.3782 ( 6258 PWs) bands (ev): -13.3382 -13.3382 -13.3374 -13.3374 -13.3326 -13.3326 -13.3313 -13.3313 -12.3131 -12.3131 -12.3116 -12.3116 -12.3061 -12.3061 -12.3055 -12.3055 -12.2905 -12.2905 -12.2892 -12.2892 -5.0806 -5.0806 -3.8065 -3.8065 -3.7822 -3.7822 -1.5060 -1.5060 -0.9255 -0.9255 0.1557 0.1557 0.8419 0.8419 1.4659 1.4659 3.7945 3.7945 4.3655 4.3655 4.8256 4.8256 5.3821 5.3821 5.7522 5.7522 5.9879 5.9879 6.3812 6.3812 6.9488 6.9488 7.1339 7.1339 7.7892 7.7892 9.2359 9.2359 9.9316 9.9316 10.1025 10.1025 10.3112 10.3112 10.4575 10.4575 11.0227 11.0227 11.0578 11.0578 k = 0.5000 0.2585-0.3909 ( 6262 PWs) bands (ev): -13.3382 -13.3382 -13.3374 -13.3374 -13.3326 -13.3326 -13.3312 -13.3312 -12.3130 -12.3130 -12.3115 -12.3115 -12.3060 -12.3060 -12.3054 -12.3054 -12.2906 -12.2906 -12.2892 -12.2892 -5.0685 -5.0685 -3.7863 -3.7863 -3.7839 -3.7839 -1.5119 -1.5119 -0.9447 -0.9447 0.1297 0.1297 0.7491 0.7491 1.3517 1.3517 3.8808 3.8808 4.4561 4.4561 4.8804 4.8804 5.4164 5.4164 5.8275 5.8275 6.0683 6.0683 6.4085 6.4085 7.0174 7.0174 7.2273 7.2273 7.8293 7.8293 9.2962 9.2962 9.8952 9.8952 10.0904 10.0904 10.2753 10.2753 10.3837 10.3837 10.9168 10.9168 10.9504 10.9504 k = 0.5000 0.2700-0.4036 ( 6258 PWs) bands (ev): -13.3382 -13.3382 -13.3373 -13.3373 -13.3326 -13.3326 -13.3312 -13.3312 -12.3128 -12.3128 -12.3114 -12.3114 -12.3059 -12.3059 -12.3054 -12.3054 -12.2906 -12.2906 -12.2892 -12.2892 -5.0579 -5.0579 -3.7834 -3.7834 -3.7659 -3.7659 -1.5134 -1.5134 -0.9652 -0.9652 0.1045 0.1045 0.6597 0.6597 1.2387 1.2387 3.9661 3.9661 4.5439 4.5439 4.9347 4.9347 5.4521 5.4521 5.8938 5.8938 6.1608 6.1608 6.4335 6.4335 7.0898 7.0898 7.3222 7.3222 7.8691 7.8691 9.3554 9.3554 9.8597 9.8597 10.0649 10.0649 10.2386 10.2386 10.3250 10.3250 10.8124 10.8124 10.8505 10.8505 k = 0.5000 0.2816-0.4162 ( 6248 PWs) bands (ev): -13.3382 -13.3382 -13.3372 -13.3372 -13.3326 -13.3326 -13.3311 -13.3311 -12.3127 -12.3127 -12.3113 -12.3113 -12.3059 -12.3059 -12.3053 -12.3053 -12.2907 -12.2907 -12.2892 -12.2892 -5.0488 -5.0488 -3.7793 -3.7793 -3.7473 -3.7473 -1.5107 -1.5107 -0.9868 -0.9868 0.0801 0.0801 0.5742 0.5742 1.1275 1.1275 4.0493 4.0493 4.6284 4.6284 4.9879 4.9879 5.4901 5.4901 5.9515 5.9515 6.2645 6.2645 6.4575 6.4575 7.1644 7.1644 7.4177 7.4177 7.9086 7.9086 9.4125 9.4125 9.8253 9.8253 10.0233 10.0233 10.1999 10.1999 10.2833 10.2833 10.7102 10.7102 10.7601 10.7601 k = 0.5000 0.2931-0.4289 ( 6236 PWs) bands (ev): -13.3382 -13.3382 -13.3372 -13.3372 -13.3326 -13.3326 -13.3310 -13.3310 -12.3126 -12.3126 -12.3112 -12.3112 -12.3058 -12.3058 -12.3053 -12.3053 -12.2908 -12.2908 -12.2892 -12.2892 -5.0412 -5.0412 -3.7724 -3.7724 -3.7299 -3.7299 -1.5039 -1.5039 -1.0094 -1.0094 0.0567 0.0567 0.4930 0.4930 1.0183 1.0183 4.1297 4.1297 4.7091 4.7091 5.0388 5.0388 5.5317 5.5317 6.0026 6.0026 6.3770 6.3770 6.4816 6.4816 7.2393 7.2393 7.5127 7.5127 7.9476 7.9476 9.4660 9.4660 9.7920 9.7920 9.9692 9.9692 10.1588 10.1588 10.2528 10.2528 10.6120 10.6120 10.6801 10.6801 k = 0.5000 0.3046-0.4416 ( 6232 PWs) bands (ev): -13.3382 -13.3382 -13.3371 -13.3371 -13.3325 -13.3325 -13.3310 -13.3310 -12.3124 -12.3124 -12.3111 -12.3111 -12.3058 -12.3058 -12.3053 -12.3053 -12.2909 -12.2909 -12.2892 -12.2892 -5.0350 -5.0350 -3.7630 -3.7630 -3.7137 -3.7137 -1.4930 -1.4930 -1.0327 -1.0327 0.0345 0.0345 0.4165 0.4165 0.9117 0.9117 4.2063 4.2063 4.7858 4.7858 5.0864 5.0864 5.5782 5.5782 6.0486 6.0486 6.4863 6.4863 6.5157 6.5157 7.3133 7.3133 7.6063 7.6063 7.9860 7.9860 9.5139 9.5139 9.7602 9.7602 9.9092 9.9092 10.1154 10.1154 10.2231 10.2231 10.5200 10.5200 10.6107 10.6107 k = 0.5000 0.3162-0.4543 ( 6226 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3325 -13.3325 -13.3309 -13.3309 -12.3123 -12.3123 -12.3110 -12.3110 -12.3057 -12.3057 -12.3053 -12.3053 -12.2909 -12.2909 -12.2892 -12.2892 -5.0302 -5.0302 -3.7514 -3.7514 -3.6989 -3.6989 -1.4783 -1.4783 -1.0565 -1.0565 0.0136 0.0136 0.3449 0.3449 0.8082 0.8082 4.2784 4.2784 4.8581 4.8581 5.1292 5.1292 5.6309 5.6309 6.0906 6.0906 6.5227 6.5227 6.6279 6.6279 7.3852 7.3852 7.6976 7.6976 8.0234 8.0234 9.5536 9.5536 9.7301 9.7301 9.8491 9.8491 10.0701 10.0701 10.1850 10.1850 10.4347 10.4347 10.5514 10.5514 k = 0.5000 0.3277-0.4670 ( 6228 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3325 -13.3325 -13.3309 -13.3309 -12.3122 -12.3122 -12.3109 -12.3109 -12.3057 -12.3057 -12.3052 -12.3052 -12.2910 -12.2910 -12.2892 -12.2892 -5.0265 -5.0265 -3.7382 -3.7382 -3.6854 -3.6854 -1.4602 -1.4602 -1.0806 -1.0806 -0.0060 -0.0060 0.2787 0.2787 0.7081 0.7081 4.3455 4.3455 4.9258 4.9258 5.1663 5.1663 5.6904 5.6904 6.1291 6.1291 6.5458 6.5458 6.7570 6.7570 7.4541 7.4541 7.7857 7.7857 8.0598 8.0598 9.5813 9.5813 9.7024 9.7024 9.7935 9.7935 10.0234 10.0234 10.1341 10.1341 10.3535 10.3535 10.5007 10.5007 k = 0.5000 0.3393-0.4797 ( 6240 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3121 -12.3121 -12.3107 -12.3107 -12.3057 -12.3057 -12.3052 -12.3052 -12.2910 -12.2910 -12.2892 -12.2892 -5.0239 -5.0239 -3.7236 -3.7236 -3.6732 -3.6732 -1.4390 -1.4390 -1.1045 -1.1045 -0.0242 -0.0242 0.2180 0.2180 0.6123 0.6123 4.4071 4.4071 4.9885 4.9885 5.1974 5.1974 5.7565 5.7565 6.1646 6.1646 6.5672 6.5672 6.8894 6.8894 7.5190 7.5190 7.8696 7.8696 8.0950 8.0950 9.5920 9.5920 9.6775 9.6775 9.7471 9.7471 9.9760 9.9760 10.0720 10.0720 10.2705 10.2705 10.4551 10.4551 k = 0.5000 0.3508-0.4924 ( 6240 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3120 -12.3120 -12.3106 -12.3106 -12.3056 -12.3056 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0222 -5.0222 -3.7084 -3.7084 -3.6625 -3.6625 -1.4154 -1.4154 -1.1280 -1.1280 -0.0408 -0.0408 0.1630 0.1630 0.5213 0.5213 4.4628 4.4628 5.0460 5.0460 5.2225 5.2225 5.8284 5.8284 6.1971 6.1971 6.5869 6.5869 7.0231 7.0231 7.5793 7.5793 7.9483 7.9483 8.1286 8.1286 9.5833 9.5833 9.6531 9.6531 9.7149 9.7149 9.9288 9.9288 10.0040 10.0040 10.1807 10.1807 10.4101 10.4101 k = 0.5000 0.3623-0.5051 ( 6238 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3308 -13.3308 -12.3119 -12.3119 -12.3105 -12.3105 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0211 -5.0211 -3.6929 -3.6929 -3.6531 -3.6531 -1.3900 -1.3900 -1.1506 -1.1506 -0.0559 -0.0559 0.1140 0.1140 0.4358 0.4358 4.5127 4.5127 5.0982 5.0982 5.2424 5.2424 5.9042 5.9042 6.2266 6.2266 6.6042 6.6042 7.1562 7.1562 7.6344 7.6344 8.0210 8.0210 8.1604 8.1604 9.5607 9.5607 9.6273 9.6273 9.6941 9.6941 9.8815 9.8815 9.9360 9.9360 10.0846 10.0846 10.3614 10.3614 k = 0.5870 0.4406 0.3125 ( 6238 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3308 -13.3308 -12.3119 -12.3119 -12.3105 -12.3105 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0211 -5.0211 -3.6929 -3.6929 -3.6530 -3.6530 -1.3900 -1.3900 -1.1506 -1.1506 -0.0559 -0.0559 0.1140 0.1140 0.4358 0.4358 4.5127 4.5127 5.0981 5.0981 5.2424 5.2424 5.9042 5.9042 6.2267 6.2267 6.6042 6.6042 7.1562 7.1562 7.6344 7.6344 8.0210 8.0210 8.1604 8.1604 9.5607 9.5607 9.6273 9.6273 9.6941 9.6941 9.8815 9.8815 9.9360 9.9360 10.0846 10.0846 10.3614 10.3614 k = 0.5761 0.4418 0.3246 ( 6244 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3104 -12.3104 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0206 -5.0206 -3.6786 -3.6786 -3.6453 -3.6453 -1.3650 -1.3650 -1.1708 -1.1708 -0.0688 -0.0688 0.0730 0.0730 0.3609 0.3609 4.5543 4.5543 5.1423 5.1423 5.2570 5.2570 5.9779 5.9779 6.2518 6.2518 6.6178 6.6178 7.2800 7.2800 7.6814 7.6814 8.0836 8.0836 8.1887 8.1887 9.5345 9.5345 9.6040 9.6040 9.6763 9.6763 9.8335 9.8335 9.8773 9.8773 9.9920 9.9920 10.3102 10.3102 k = 0.5653 0.4429 0.3366 ( 6242 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3118 -12.3118 -12.3103 -12.3103 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0204 -5.0204 -3.6650 -3.6650 -3.6387 -3.6387 -1.3400 -1.3400 -1.1894 -1.1894 -0.0801 -0.0801 0.0376 0.0376 0.2927 0.2927 4.5904 4.5904 5.1812 5.1812 5.2683 5.2683 6.0512 6.0512 6.2741 6.2741 6.6280 6.6280 7.3991 7.3991 7.7232 7.7232 8.1392 8.1392 8.2147 8.2147 9.5092 9.5092 9.5835 9.5835 9.6563 9.6563 9.7797 9.7797 9.8271 9.8271 9.9035 9.9035 10.2557 10.2557 k = 0.5544 0.4441 0.3486 ( 6242 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3118 -12.3118 -12.3102 -12.3102 -12.3056 -12.3056 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0205 -5.0205 -3.6527 -3.6527 -3.6331 -3.6331 -1.3160 -1.3160 -1.2059 -1.2059 -0.0900 -0.0900 0.0076 0.0076 0.2323 0.2323 4.6210 4.6210 5.2144 5.2144 5.2767 5.2767 6.1216 6.1216 6.2936 6.2936 6.6344 6.6344 7.5103 7.5103 7.7599 7.7599 8.1872 8.1872 8.2382 8.2382 9.4876 9.4876 9.5656 9.5656 9.6343 9.6343 9.7238 9.7238 9.7805 9.7805 9.8246 9.8246 10.2020 10.2020 k = 0.5435 0.4452 0.3607 ( 6240 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3117 -12.3117 -12.3102 -12.3102 -12.3056 -12.3056 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0207 -5.0207 -3.6421 -3.6421 -3.6286 -3.6286 -1.2943 -1.2943 -1.2198 -1.2198 -0.0984 -0.0984 -0.0169 -0.0169 0.1808 0.1808 4.6461 4.6461 5.2419 5.2419 5.2830 5.2830 6.1864 6.1864 6.3104 6.3104 6.6365 6.6365 7.6096 7.6096 7.7919 7.7919 8.2269 8.2269 8.2586 8.2586 9.4711 9.4711 9.5500 9.5500 9.6117 9.6117 9.6717 9.6717 9.7331 9.7331 9.7598 9.7598 10.1539 10.1539 k = 0.5326 0.4464 0.3727 ( 6240 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3101 -12.3101 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0210 -5.0210 -3.6335 -3.6335 -3.6250 -3.6250 -1.2761 -1.2761 -1.2307 -1.2307 -0.1053 -0.1053 -0.0359 -0.0359 0.1393 0.1393 4.6656 4.6656 5.2634 5.2634 5.2876 5.2876 6.2419 6.2419 6.3250 6.3250 6.6349 6.6349 7.6913 7.6913 7.8207 7.8207 8.2577 8.2577 8.2755 8.2755 9.4599 9.4599 9.5353 9.5353 9.5907 9.5907 9.6291 9.6291 9.6882 9.6882 9.7079 9.7079 10.1154 10.1154 k = 0.5218 0.4475 0.3847 ( 6228 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3101 -12.3101 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0212 -5.0212 -3.6275 -3.6275 -3.6221 -3.6221 -1.2633 -1.2633 -1.2374 -1.2374 -0.1104 -0.1104 -0.0495 -0.0495 0.1089 0.1089 4.6796 4.6796 5.2784 5.2784 5.2911 5.2911 6.2834 6.2834 6.3386 6.3386 6.6306 6.6306 7.7485 7.7485 7.8479 7.8479 8.2791 8.2791 8.2887 8.2887 9.4532 9.4532 9.5204 9.5204 9.5742 9.5742 9.6002 9.6002 9.6534 9.6534 9.6655 9.6655 10.0881 10.0881 k = 0.5109 0.4487 0.3968 ( 6236 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0214 -5.0214 -3.6242 -3.6242 -3.6200 -3.6200 -1.2575 -1.2575 -1.2393 -1.2393 -0.1136 -0.1136 -0.0576 -0.0576 0.0903 0.0903 4.6880 4.6880 5.2863 5.2863 5.2942 5.2942 6.3064 6.3064 6.3516 6.3516 6.6260 6.6260 7.7791 7.7791 7.8707 7.8707 8.2909 8.2909 8.2978 8.2978 9.4498 9.4498 9.5081 9.5081 9.5646 9.5646 9.5857 9.5857 9.6317 9.6317 9.6356 9.6356 10.0721 10.0721 k = 0.5000 0.4498 0.4088 ( 6230 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0214 -5.0214 -3.6233 -3.6233 -3.6191 -3.6191 -1.2565 -1.2565 -1.2388 -1.2388 -0.1147 -0.1147 -0.0603 -0.0603 0.0841 0.0841 4.6908 4.6908 5.2884 5.2884 5.2959 5.2959 6.3130 6.3130 6.3576 6.3576 6.6240 6.6240 7.7882 7.7882 7.8800 7.8800 8.2944 8.2944 8.3012 8.3012 9.4487 9.4487 9.5033 9.5033 9.5613 9.5613 9.5824 9.5824 9.6220 9.6220 9.6264 9.6264 10.0668 10.0668 k = 0.5000 0.4498 0.4088 ( 6230 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0214 -5.0214 -3.6233 -3.6233 -3.6191 -3.6191 -1.2565 -1.2565 -1.2388 -1.2388 -0.1147 -0.1147 -0.0603 -0.0603 0.0841 0.0841 4.6908 4.6908 5.2884 5.2884 5.2959 5.2959 6.3130 6.3130 6.3576 6.3576 6.6240 6.6240 7.7882 7.7882 7.8800 7.8800 8.2944 8.2944 8.3012 8.3012 9.4487 9.4487 9.5033 9.5033 9.5613 9.5613 9.5824 9.5824 9.6220 9.6220 9.6264 9.6264 10.0668 10.0668 k = 0.4889 0.4398 0.3997 ( 6239 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0228 -5.0228 -3.6231 -3.6231 -3.6189 -3.6189 -1.2553 -1.2553 -1.2377 -1.2377 -0.1426 -0.1426 -0.0393 -0.0393 0.0967 0.0967 4.6898 4.6898 5.2838 5.2838 5.2914 5.2914 6.3117 6.3117 6.3562 6.3562 6.6158 6.6158 7.7836 7.7836 7.8760 7.8760 8.2872 8.2872 8.2943 8.2943 9.4358 9.4358 9.5018 9.5018 9.5439 9.5439 9.5936 9.5936 9.6359 9.6359 9.6598 9.6598 10.0749 10.0749 k = 0.4778 0.4298 0.3906 ( 6242 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0269 -5.0269 -3.6225 -3.6225 -3.6183 -3.6183 -1.2518 -1.2518 -1.2342 -1.2342 -0.1886 -0.1886 -0.0126 -0.0126 0.1331 0.1331 4.6867 4.6867 5.2700 5.2700 5.2781 5.2781 6.3079 6.3079 6.3519 6.3519 6.5914 6.5914 7.7700 7.7700 7.8644 7.8644 8.2662 8.2662 8.2740 8.2740 9.4121 9.4121 9.4838 9.4838 9.5254 9.5254 9.6358 9.6358 9.6675 9.6675 9.7258 9.7258 10.0982 10.0982 k = 0.4667 0.4198 0.3816 ( 6236 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3118 -12.3118 -12.3100 -12.3100 -12.3057 -12.3057 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0338 -5.0338 -3.6215 -3.6215 -3.6173 -3.6173 -1.2459 -1.2459 -1.2283 -1.2283 -0.2363 -0.2363 0.0092 0.0092 0.1872 0.1872 4.6817 4.6817 5.2474 5.2474 5.2562 5.2562 6.3015 6.3015 6.3447 6.3447 6.5517 6.5517 7.7483 7.7483 7.8457 7.8457 8.2324 8.2324 8.2412 8.2412 9.3764 9.3764 9.4711 9.4711 9.5210 9.5210 9.6770 9.6770 9.7272 9.7272 9.8071 9.8071 10.1347 10.1347 k = 0.4556 0.4098 0.3725 ( 6248 PWs) bands (ev): -13.3382 -13.3382 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3099 -12.3099 -12.3058 -12.3058 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0433 -5.0433 -3.6201 -3.6201 -3.6160 -3.6160 -1.2378 -1.2378 -1.2202 -1.2202 -0.2827 -0.2827 0.0300 0.0300 0.2523 0.2523 4.6746 4.6746 5.2164 5.2164 5.2262 5.2262 6.2924 6.2924 6.3345 6.3345 6.4981 6.4981 7.7198 7.7198 7.8209 7.8209 8.1877 8.1877 8.1976 8.1976 9.3226 9.3226 9.4798 9.4798 9.5316 9.5316 9.7074 9.7074 9.8125 9.8125 9.9001 9.9001 10.1823 10.1823 k = 0.4444 0.3998 0.3634 ( 6239 PWs) bands (ev): -13.3382 -13.3382 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3120 -12.3120 -12.3099 -12.3099 -12.3059 -12.3059 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0553 -5.0553 -3.6183 -3.6183 -3.6142 -3.6142 -1.2273 -1.2273 -1.2098 -1.2098 -0.3268 -0.3268 0.0525 0.0525 0.3245 0.3245 4.6657 4.6657 5.1775 5.1775 5.1884 5.1884 6.2805 6.2805 6.3214 6.3214 6.4322 6.4322 7.6855 7.6855 7.7910 7.7910 8.1342 8.1342 8.1453 8.1453 9.2563 9.2563 9.5061 9.5061 9.5558 9.5558 9.7348 9.7348 9.9107 9.9107 10.0023 10.0023 10.2390 10.2390 k = 0.4333 0.3899 0.3543 ( 6230 PWs) bands (ev): -13.3382 -13.3382 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3122 -12.3122 -12.3098 -12.3098 -12.3060 -12.3060 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0698 -5.0698 -3.6160 -3.6160 -3.6120 -3.6120 -1.2146 -1.2146 -1.1972 -1.1972 -0.3684 -0.3684 0.0779 0.0779 0.4019 0.4019 4.6549 4.6549 5.1313 5.1313 5.1436 5.1436 6.2658 6.2658 6.3053 6.3053 6.3558 6.3558 7.6466 7.6466 7.7567 7.7567 8.0744 8.0744 8.0866 8.0866 9.1818 9.1818 9.5450 9.5450 9.5916 9.5916 9.7596 9.7596 10.0181 10.0181 10.1121 10.1121 10.3032 10.3032 k = 0.4222 0.3799 0.3452 ( 6248 PWs) bands (ev): -13.3382 -13.3382 -13.3368 -13.3368 -13.3325 -13.3325 -13.3308 -13.3308 -12.3123 -12.3123 -12.3098 -12.3098 -12.3061 -12.3061 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0866 -5.0866 -3.6134 -3.6134 -3.6095 -3.6095 -1.1998 -1.1998 -1.1824 -1.1824 -0.4072 -0.4072 0.1066 0.1066 0.4838 0.4838 4.6424 4.6424 5.0786 5.0786 5.0923 5.0923 6.2481 6.2481 6.2709 6.2709 6.2862 6.2862 7.6038 7.6038 7.7182 7.7182 8.0105 8.0105 8.0242 8.0242 9.1012 9.1012 9.5933 9.5933 9.6367 9.6367 9.7813 9.7813 10.1323 10.1323 10.2279 10.2279 10.3735 10.3735 k = 0.4111 0.3699 0.3361 ( 6236 PWs) bands (ev): -13.3383 -13.3383 -13.3368 -13.3368 -13.3326 -13.3326 -13.3308 -13.3308 -12.3125 -12.3125 -12.3098 -12.3098 -12.3063 -12.3063 -12.3052 -12.3052 -12.2912 -12.2912 -12.2890 -12.2890 -5.1055 -5.1055 -3.6103 -3.6103 -3.6065 -3.6065 -1.1828 -1.1828 -1.1655 -1.1655 -0.4430 -0.4430 0.1388 0.1388 0.5697 0.5697 4.6282 4.6282 5.0202 5.0202 5.0354 5.0354 6.1787 6.1787 6.2278 6.2278 6.2642 6.2642 7.5574 7.5574 7.6756 7.6756 7.9446 7.9446 7.9604 7.9604 9.0158 9.0158 9.6482 9.6482 9.6890 9.6890 9.7994 9.7994 10.2514 10.2514 10.3483 10.3483 10.4488 10.4488 k = 0.4000 0.3599 0.3271 ( 6236 PWs) bands (ev): -13.3383 -13.3383 -13.3369 -13.3369 -13.3326 -13.3326 -13.3309 -13.3309 -12.3127 -12.3127 -12.3097 -12.3097 -12.3064 -12.3064 -12.3053 -12.3053 -12.2912 -12.2912 -12.2890 -12.2890 -5.1265 -5.1265 -3.6068 -3.6068 -3.6031 -3.6031 -1.1638 -1.1638 -1.1466 -1.1466 -0.4760 -0.4760 0.1744 0.1744 0.6593 0.6593 4.6126 4.6126 4.9567 4.9567 4.9735 4.9735 6.0814 6.0814 6.2044 6.2044 6.2395 6.2395 7.5076 7.5076 7.6280 7.6280 7.8789 7.8789 7.8980 7.8980 8.9262 8.9262 9.7078 9.7078 9.7466 9.7466 9.8138 9.8138 10.3725 10.3725 10.4715 10.4715 10.5288 10.5288 k = 0.3889 0.3499 0.3180 ( 6242 PWs) bands (ev): -13.3383 -13.3383 -13.3369 -13.3369 -13.3326 -13.3326 -13.3309 -13.3309 -12.3128 -12.3128 -12.3097 -12.3097 -12.3065 -12.3065 -12.3053 -12.3053 -12.2911 -12.2911 -12.2890 -12.2890 -5.1492 -5.1492 -3.6029 -3.6029 -3.5993 -3.5993 -1.1429 -1.1429 -1.1258 -1.1258 -0.5060 -0.5060 0.2133 0.2133 0.7523 0.7523 4.5955 4.5955 4.8890 4.8890 4.9073 4.9073 5.9801 5.9801 6.1784 6.1784 6.2120 6.2120 7.4539 7.4539 7.5748 7.5748 7.8151 7.8151 7.8391 7.8391 8.8331 8.8331 9.7700 9.7700 9.8080 9.8080 9.8246 9.8246 10.4902 10.4902 10.5954 10.5954 10.6156 10.6156 k = 0.3778 0.3399 0.3089 ( 6245 PWs) bands (ev): -13.3384 -13.3384 -13.3369 -13.3369 -13.3326 -13.3326 -13.3310 -13.3310 -12.3130 -12.3130 -12.3097 -12.3097 -12.3067 -12.3067 -12.3054 -12.3054 -12.2911 -12.2911 -12.2889 -12.2889 -5.1736 -5.1736 -3.5985 -3.5985 -3.5950 -3.5950 -1.1201 -1.1201 -1.1032 -1.1032 -0.5331 -0.5331 0.2553 0.2553 0.8486 0.8486 4.5771 4.5771 4.8177 4.8177 4.8377 4.8377 5.8763 5.8763 6.1498 6.1498 6.1821 6.1821 7.3960 7.3960 7.5153 7.5153 7.7549 7.7549 7.7857 7.7857 8.7370 8.7370 9.8234 9.8234 9.8420 9.8420 9.8718 9.8718 10.5950 10.5950 10.7149 10.7149 10.7170 10.7170 k = 0.3667 0.3299 0.2998 ( 6260 PWs) bands (ev): -13.3384 -13.3384 -13.3370 -13.3370 -13.3327 -13.3327 -13.3310 -13.3310 -12.3132 -12.3132 -12.3097 -12.3097 -12.3068 -12.3068 -12.3055 -12.3055 -12.2911 -12.2911 -12.2889 -12.2889 -5.1993 -5.1993 -3.5937 -3.5937 -3.5903 -3.5903 -1.0956 -1.0956 -1.0788 -1.0788 -0.5574 -0.5574 0.3002 0.3002 0.9479 0.9479 4.5576 4.5576 4.7436 4.7436 4.7651 4.7651 5.7711 5.7711 6.1189 6.1189 6.1498 6.1498 7.3336 7.3336 7.4494 7.4494 7.6992 7.6992 7.7385 7.7385 8.6382 8.6382 9.8301 9.8301 9.9028 9.9028 9.9369 9.9369 10.6808 10.6808 10.8266 10.8266 10.8322 10.8322 k = 0.3556 0.3199 0.2907 ( 6260 PWs) bands (ev): -13.3384 -13.3384 -13.3370 -13.3370 -13.3327 -13.3327 -13.3311 -13.3311 -12.3134 -12.3134 -12.3097 -12.3097 -12.3069 -12.3069 -12.3056 -12.3056 -12.2910 -12.2910 -12.2889 -12.2889 -5.2264 -5.2264 -3.5885 -3.5885 -3.5852 -3.5852 -1.0695 -1.0695 -1.0528 -1.0528 -0.5789 -0.5789 0.3478 0.3478 1.0502 1.0502 4.5370 4.5370 4.6674 4.6674 4.6904 4.6904 5.6656 5.6656 6.0859 6.0859 6.1155 6.1155 7.2668 7.2668 7.3782 7.3782 7.6488 7.6488 7.6973 7.6973 8.5370 8.5370 9.8284 9.8284 9.9678 9.9678 10.0024 10.0024 10.7514 10.7514 10.9343 10.9343 10.9359 10.9359 k = 0.3444 0.3099 0.2816 ( 6260 PWs) bands (ev): -13.3385 -13.3385 -13.3371 -13.3371 -13.3327 -13.3327 -13.3312 -13.3312 -12.3136 -12.3136 -12.3097 -12.3097 -12.3071 -12.3071 -12.3057 -12.3057 -12.2910 -12.2910 -12.2888 -12.2888 -5.2545 -5.2545 -3.5828 -3.5828 -3.5797 -3.5797 -1.0418 -1.0418 -1.0253 -1.0253 -0.5976 -0.5976 0.3978 0.3978 1.1551 1.1551 4.5156 4.5156 4.5896 4.5896 4.6141 4.6141 5.5607 5.5607 6.0511 6.0511 6.0794 6.0794 7.1958 7.1958 7.3030 7.3030 7.6036 7.6036 7.6612 7.6612 8.4335 8.4335 9.8222 9.8222 10.0325 10.0325 10.0674 10.0674 10.8109 10.8109 11.0140 11.0140 11.0240 11.0240 k = 0.3333 0.2999 0.2725 ( 6266 PWs) bands (ev): -13.3385 -13.3385 -13.3372 -13.3372 -13.3328 -13.3328 -13.3312 -13.3312 -12.3138 -12.3138 -12.3097 -12.3097 -12.3072 -12.3072 -12.3058 -12.3058 -12.2910 -12.2910 -12.2887 -12.2887 -5.2834 -5.2834 -3.5767 -3.5767 -3.5737 -3.5737 -1.0128 -1.0128 -0.9965 -0.9965 -0.6136 -0.6136 0.4499 0.4499 1.2625 1.2625 4.4934 4.4934 4.5110 4.5110 4.5369 4.5369 5.4575 5.4575 6.0146 6.0146 6.0417 6.0417 7.1215 7.1215 7.2248 7.2248 7.5633 7.5633 7.6293 7.6293 8.3280 8.3280 9.8114 9.8114 10.0959 10.0959 10.1312 10.1312 10.8610 10.8610 11.0661 11.0661 11.0964 11.0964 k = 0.3222 0.2899 0.2635 ( 6260 PWs) bands (ev): -13.3386 -13.3386 -13.3372 -13.3372 -13.3328 -13.3328 -13.3313 -13.3313 -12.3140 -12.3140 -12.3097 -12.3097 -12.3074 -12.3074 -12.3059 -12.3059 -12.2910 -12.2910 -12.2887 -12.2887 -5.3130 -5.3130 -3.5702 -3.5702 -3.5674 -3.5674 -0.9826 -0.9826 -0.9664 -0.9664 -0.6269 -0.6269 0.5039 0.5039 1.3722 1.3722 4.4317 4.4317 4.4591 4.4591 4.4708 4.4708 5.3568 5.3568 5.9767 5.9767 6.0027 6.0027 7.0446 7.0446 7.1450 7.1450 7.5273 7.5273 7.6008 7.6008 8.2205 8.2205 9.7959 9.7959 10.1575 10.1575 10.1931 10.1931 10.9023 10.9023 11.1062 11.1062 11.1562 11.1562 k = 0.3111 0.2799 0.2544 ( 6266 PWs) bands (ev): -13.3386 -13.3386 -13.3373 -13.3373 -13.3328 -13.3328 -13.3314 -13.3314 -12.3142 -12.3142 -12.3097 -12.3097 -12.3075 -12.3075 -12.3061 -12.3061 -12.2910 -12.2910 -12.2886 -12.2886 -5.3432 -5.3432 -3.5633 -3.5633 -3.5606 -3.5606 -0.9512 -0.9512 -0.9352 -0.9352 -0.6377 -0.6377 0.5593 0.5593 1.4838 1.4838 4.3528 4.3528 4.3815 4.3815 4.4475 4.4475 5.2594 5.2594 5.9378 5.9378 5.9626 5.9626 6.9658 6.9658 7.0641 7.0641 7.4951 7.4951 7.5751 7.5751 8.1113 8.1113 9.7754 9.7754 10.2167 10.2167 10.2524 10.2524 10.9348 10.9348 11.1421 11.1421 11.2075 11.2075 k = 0.3000 0.2699 0.2453 ( 6267 PWs) bands (ev): -13.3387 -13.3387 -13.3373 -13.3373 -13.3329 -13.3329 -13.3315 -13.3315 -12.3144 -12.3144 -12.3097 -12.3097 -12.3077 -12.3077 -12.3062 -12.3062 -12.2910 -12.2910 -12.2885 -12.2885 -5.3736 -5.3736 -3.5559 -3.5559 -3.5535 -3.5535 -0.9189 -0.9189 -0.9031 -0.9031 -0.6459 -0.6459 0.6158 0.6158 1.5972 1.5972 4.2744 4.2744 4.3043 4.3043 4.4240 4.4240 5.1663 5.1663 5.8980 5.8980 5.9215 5.9215 6.8858 6.8858 6.9830 6.9830 7.4661 7.4661 7.5517 7.5517 8.0003 8.0003 9.7496 9.7496 10.2727 10.2727 10.3083 10.3083 10.9590 10.9590 11.1762 11.1762 11.2534 11.2534 k = 0.2889 0.2599 0.2362 ( 6288 PWs) bands (ev): -13.3387 -13.3387 -13.3374 -13.3374 -13.3329 -13.3329 -13.3316 -13.3316 -12.3146 -12.3146 -12.3098 -12.3098 -12.3078 -12.3078 -12.3064 -12.3064 -12.2910 -12.2910 -12.2884 -12.2884 -5.4042 -5.4042 -3.5483 -3.5483 -3.5460 -3.5460 -0.8858 -0.8858 -0.8702 -0.8702 -0.6518 -0.6518 0.6731 0.6731 1.7119 1.7119 4.1970 4.1970 4.2281 4.2281 4.4002 4.4002 5.0782 5.0782 5.8576 5.8576 5.8798 5.8798 6.8053 6.8053 6.9020 6.9020 7.4398 7.4398 7.5303 7.5303 7.8876 7.8876 9.7180 9.7180 10.3250 10.3250 10.3600 10.3600 10.9753 10.9753 11.2094 11.2094 11.2960 11.2960 k = 0.2778 0.2499 0.2271 ( 6288 PWs) bands (ev): -13.3388 -13.3388 -13.3375 -13.3375 -13.3330 -13.3330 -13.3317 -13.3317 -12.3148 -12.3148 -12.3098 -12.3098 -12.3079 -12.3079 -12.3065 -12.3065 -12.2910 -12.2910 -12.2883 -12.2883 -5.4348 -5.4348 -3.5402 -3.5402 -3.5381 -3.5381 -0.8522 -0.8522 -0.8368 -0.8368 -0.6552 -0.6552 0.7306 0.7306 1.8276 1.8276 4.1210 4.1210 4.1533 4.1533 4.3763 4.3763 4.9962 4.9962 5.8168 5.8168 5.8376 5.8376 6.7246 6.7246 6.8216 6.8216 7.4158 7.4158 7.5106 7.5106 7.7734 7.7734 9.6803 9.6803 10.3728 10.3728 10.4067 10.4067 10.9844 10.9844 11.2422 11.2422 11.3366 11.3366 k = 0.2667 0.2399 0.2180 ( 6282 PWs) bands (ev): -13.3388 -13.3388 -13.3375 -13.3375 -13.3330 -13.3330 -13.3317 -13.3317 -12.3150 -12.3150 -12.3099 -12.3099 -12.3081 -12.3081 -12.3067 -12.3067 -12.2911 -12.2911 -12.2882 -12.2882 -5.4653 -5.4653 -3.5318 -3.5318 -3.5300 -3.5300 -0.8180 -0.8180 -0.8029 -0.8029 -0.6564 -0.6564 0.7880 0.7880 1.9439 1.9439 4.0468 4.0468 4.0801 4.0801 4.3525 4.3525 4.9212 4.9212 5.7758 5.7758 5.7950 5.7950 6.6442 6.6442 6.7421 6.7421 7.3939 7.3939 7.4924 7.4924 7.6576 7.6576 9.6358 9.6358 10.4152 10.4152 10.4476 10.4476 10.9871 10.9871 11.2751 11.2751 11.3764 11.3764 k = 0.2556 0.2299 0.2090 ( 6288 PWs) bands (ev): -13.3389 -13.3389 -13.3376 -13.3376 -13.3331 -13.3331 -13.3318 -13.3318 -12.3152 -12.3152 -12.3099 -12.3099 -12.3082 -12.3082 -12.3069 -12.3069 -12.2911 -12.2911 -12.2881 -12.2881 -5.4955 -5.4955 -3.5232 -3.5232 -3.5215 -3.5215 -0.7836 -0.7836 -0.7687 -0.7687 -0.6553 -0.6553 0.8446 0.8446 2.0604 2.0604 3.9747 3.9747 4.0090 4.0090 4.3288 4.3288 4.8541 4.8541 5.7347 5.7347 5.7522 5.7522 6.5644 6.5644 6.6638 6.6638 7.3735 7.3735 7.4757 7.4757 7.5405 7.5405 9.5843 9.5843 10.4513 10.4513 10.4818 10.4818 10.9842 10.9842 11.3085 11.3085 11.4164 11.4164 k = 0.2444 0.2199 0.1999 ( 6309 PWs) bands (ev): -13.3389 -13.3389 -13.3377 -13.3377 -13.3331 -13.3331 -13.3319 -13.3319 -12.3154 -12.3154 -12.3100 -12.3100 -12.3084 -12.3084 -12.3070 -12.3070 -12.2911 -12.2911 -12.2879 -12.2879 -5.5252 -5.5252 -3.5143 -3.5143 -3.5128 -3.5128 -0.7492 -0.7492 -0.7345 -0.7345 -0.6522 -0.6522 0.8999 0.8999 2.1766 2.1766 3.9050 3.9050 3.9403 3.9403 4.3054 4.3054 4.7961 4.7961 5.6937 5.6937 5.7094 5.7094 6.4856 6.4856 6.5869 6.5869 7.3536 7.3536 7.4230 7.4230 7.4601 7.4601 9.5254 9.5254 10.4805 10.4805 10.5086 10.5086 10.9765 10.9765 11.3429 11.3429 11.4575 11.4575 k = 0.2333 0.2099 0.1908 ( 6303 PWs) bands (ev): -13.3390 -13.3390 -13.3378 -13.3378 -13.3331 -13.3331 -13.3320 -13.3320 -12.3156 -12.3156 -12.3100 -12.3100 -12.3085 -12.3085 -12.3072 -12.3072 -12.2911 -12.2911 -12.2878 -12.2878 -5.5544 -5.5544 -3.5051 -3.5051 -3.5039 -3.5039 -0.7148 -0.7148 -0.7003 -0.7003 -0.6470 -0.6470 0.9533 0.9533 2.2920 2.2920 3.8381 3.8381 3.8742 3.8742 4.2824 4.2824 4.7483 4.7483 5.6529 5.6529 5.6667 5.6667 6.4081 6.4081 6.5116 6.5116 7.2960 7.2960 7.3433 7.3433 7.4457 7.4457 9.4588 9.4588 10.5020 10.5020 10.5277 10.5277 10.9646 10.9646 11.3786 11.3786 11.5005 11.5005 k = 0.2222 0.1999 0.1817 ( 6303 PWs) bands (ev): -13.3390 -13.3390 -13.3378 -13.3378 -13.3332 -13.3332 -13.3321 -13.3321 -12.3158 -12.3158 -12.3101 -12.3101 -12.3086 -12.3086 -12.3074 -12.3074 -12.2912 -12.2912 -12.2877 -12.2877 -5.5830 -5.5830 -3.4959 -3.4959 -3.4948 -3.4948 -0.6807 -0.6807 -0.6665 -0.6665 -0.6400 -0.6400 1.0043 1.0043 2.4061 2.4061 3.7742 3.7742 3.8110 3.8110 4.2598 4.2598 4.7117 4.7117 5.6124 5.6124 5.6241 5.6241 6.3321 6.3321 6.4383 6.4383 7.1770 7.1770 7.3249 7.3249 7.4324 7.4324 9.3844 9.3844 10.5157 10.5157 10.5388 10.5388 10.9491 10.9491 11.4153 11.4153 11.5458 11.5458 k = 0.2111 0.1899 0.1726 ( 6306 PWs) bands (ev): -13.3391 -13.3391 -13.3379 -13.3379 -13.3332 -13.3332 -13.3322 -13.3322 -12.3160 -12.3160 -12.3101 -12.3101 -12.3087 -12.3087 -12.3076 -12.3076 -12.2912 -12.2912 -12.2876 -12.2876 -5.6107 -5.6107 -3.4864 -3.4864 -3.4856 -3.4856 -0.6471 -0.6471 -0.6331 -0.6331 -0.6311 -0.6311 1.0521 1.0521 2.5184 2.5184 3.7134 3.7134 3.7509 3.7509 4.2378 4.2378 4.6874 4.6874 5.5724 5.5724 5.5817 5.5817 6.2580 6.2580 6.3672 6.3672 7.0543 7.0543 7.3101 7.3101 7.4201 7.4201 9.3021 9.3021 10.5216 10.5216 10.5423 10.5423 10.9304 10.9304 11.4508 11.4508 11.5938 11.5938 k = 0.2000 0.1799 0.1635 ( 6306 PWs) bands (ev): -13.3391 -13.3391 -13.3380 -13.3380 -13.3333 -13.3333 -13.3323 -13.3323 -12.3161 -12.3161 -12.3102 -12.3102 -12.3089 -12.3089 -12.3077 -12.3077 -12.2913 -12.2913 -12.2874 -12.2874 -5.6376 -5.6376 -3.4770 -3.4770 -3.4764 -3.4764 -0.6207 -0.6207 -0.6142 -0.6142 -0.6004 -0.6004 1.0960 1.0960 2.6286 2.6286 3.6560 3.6560 3.6941 3.6941 4.2164 4.2164 4.6765 4.6765 5.5328 5.5328 5.5397 5.5397 6.1859 6.1859 6.2985 6.2985 6.9301 6.9301 7.2966 7.2966 7.4086 7.4086 9.2120 9.2120 10.5200 10.5200 10.5385 10.5385 10.9087 10.9087 11.4770 11.4770 11.6439 11.6439 k = 0.1889 0.1699 0.1544 ( 6288 PWs) bands (ev): -13.3392 -13.3392 -13.3381 -13.3381 -13.3333 -13.3333 -13.3324 -13.3324 -12.3163 -12.3163 -12.3103 -12.3103 -12.3090 -12.3090 -12.3079 -12.3079 -12.2913 -12.2913 -12.2873 -12.2873 -5.6635 -5.6635 -3.4675 -3.4675 -3.4671 -3.4671 -0.6087 -0.6087 -0.5821 -0.5821 -0.5685 -0.5685 1.1357 1.1357 2.7363 2.7363 3.6021 3.6021 3.6408 3.6408 4.1958 4.1958 4.6797 4.6797 5.4938 5.4938 5.4982 5.4982 6.1163 6.1163 6.2325 6.2325 6.8048 6.8048 7.2843 7.2843 7.3981 7.3981 9.1144 9.1144 10.5119 10.5119 10.5284 10.5284 10.8842 10.8842 11.4745 11.4745 11.6305 11.6305 k = 0.1778 0.1599 0.1454 ( 6294 PWs) bands (ev): -13.3392 -13.3392 -13.3381 -13.3381 -13.3333 -13.3333 -13.3325 -13.3325 -12.3165 -12.3165 -12.3103 -12.3103 -12.3091 -12.3091 -12.3081 -12.3081 -12.2914 -12.2914 -12.2872 -12.2872 -5.6883 -5.6883 -3.4580 -3.4580 -3.4579 -3.4579 -0.5954 -0.5954 -0.5510 -0.5510 -0.5376 -0.5376 1.1704 1.1704 2.8414 2.8414 3.5520 3.5520 3.5910 3.5910 4.1760 4.1760 4.6975 4.6975 5.4554 5.4554 5.4571 5.4571 6.0493 6.0493 6.1693 6.1693 6.6784 6.6784 7.2729 7.2729 7.3884 7.3884 9.0095 9.0095 10.4981 10.4981 10.5129 10.5129 10.8568 10.8568 11.4408 11.4408 11.6567 11.6567 k = 0.1667 0.1499 0.1363 ( 6285 PWs) bands (ev): -13.3393 -13.3393 -13.3382 -13.3382 -13.3334 -13.3334 -13.3325 -13.3325 -12.3166 -12.3166 -12.3104 -12.3104 -12.3092 -12.3092 -12.3082 -12.3082 -12.2914 -12.2914 -12.2871 -12.2871 -5.7120 -5.7120 -3.4488 -3.4488 -3.4487 -3.4487 -0.5809 -0.5809 -0.5212 -0.5212 -0.5079 -0.5079 1.1999 1.1999 2.9440 2.9440 3.5056 3.5056 3.5449 3.5449 4.1570 4.1570 4.7300 4.7300 5.4166 5.4166 5.4176 5.4176 5.9853 5.9853 6.1093 6.1093 6.5513 6.5513 7.2625 7.2625 7.3795 7.3795 8.8980 8.8980 10.4798 10.4798 10.4931 10.4931 10.8267 10.8267 11.3980 11.3980 11.7005 11.7005 k = 0.1556 0.1399 0.1272 ( 6303 PWs) bands (ev): -13.3393 -13.3393 -13.3383 -13.3383 -13.3334 -13.3334 -13.3326 -13.3326 -12.3168 -12.3168 -12.3105 -12.3105 -12.3093 -12.3093 -12.3084 -12.3084 -12.2914 -12.2914 -12.2870 -12.2870 -5.7345 -5.7345 -3.4398 -3.4398 -3.4396 -3.4396 -0.5654 -0.5654 -0.4926 -0.4926 -0.4795 -0.4795 1.2239 1.2239 3.0443 3.0443 3.4632 3.4632 3.5026 3.5026 4.1389 4.1389 4.7771 4.7771 5.3768 5.3768 5.3805 5.3805 5.9245 5.9245 6.0525 6.0525 6.4237 6.4237 7.2530 7.2530 7.3713 7.3713 8.7803 8.7803 10.4579 10.4579 10.4700 10.4700 10.7942 10.7942 11.3570 11.3570 11.7506 11.7506 k = 0.1444 0.1300 0.1181 ( 6306 PWs) bands (ev): -13.3393 -13.3393 -13.3383 -13.3383 -13.3334 -13.3334 -13.3327 -13.3327 -12.3169 -12.3169 -12.3106 -12.3106 -12.3095 -12.3095 -12.3085 -12.3085 -12.2915 -12.2915 -12.2869 -12.2869 -5.7557 -5.7557 -3.4312 -3.4312 -3.4307 -3.4307 -0.5492 -0.5492 -0.4656 -0.4656 -0.4526 -0.4526 1.2424 1.2424 3.1429 3.1429 3.4248 3.4248 3.4640 3.4640 4.1219 4.1219 4.8378 4.8378 5.3379 5.3379 5.3442 5.3442 5.8671 5.8671 5.9994 5.9994 6.2960 6.2960 7.2442 7.2442 7.3638 7.3638 8.6570 8.6570 10.4337 10.4337 10.4447 10.4447 10.7597 10.7597 11.3209 11.3209 11.8033 11.8033 k = 0.1333 0.1200 0.1090 ( 6282 PWs) bands (ev): -13.3394 -13.3394 -13.3384 -13.3384 -13.3335 -13.3335 -13.3328 -13.3328 -12.3170 -12.3170 -12.3106 -12.3106 -12.3096 -12.3096 -12.3086 -12.3086 -12.2915 -12.2915 -12.2867 -12.2867 -5.7756 -5.7756 -3.4228 -3.4228 -3.4221 -3.4221 -0.5324 -0.5324 -0.4401 -0.4401 -0.4273 -0.4273 1.2555 1.2555 3.2396 3.2396 3.3911 3.3911 3.4291 3.4291 4.1059 4.1059 4.9110 4.9110 5.3001 5.3001 5.3089 5.3089 5.8134 5.8134 5.9499 5.9499 6.1688 6.1688 7.2362 7.2362 7.3570 7.3570 8.5288 8.5288 10.4079 10.4079 10.4180 10.4180 10.7239 10.7239 11.2904 11.2904 11.8566 11.8566 k = 0.1222 0.1100 0.0999 ( 6282 PWs) bands (ev): -13.3394 -13.3394 -13.3384 -13.3384 -13.3335 -13.3335 -13.3329 -13.3329 -12.3171 -12.3171 -12.3107 -12.3107 -12.3097 -12.3097 -12.3087 -12.3087 -12.2916 -12.2916 -12.2866 -12.2866 -5.7940 -5.7940 -3.4147 -3.4147 -3.4139 -3.4139 -0.5153 -0.5153 -0.4165 -0.4165 -0.4037 -0.4037 1.2636 1.2636 3.3261 3.3261 3.3712 3.3712 3.3979 3.3979 4.0910 4.0910 4.9945 4.9945 5.2634 5.2634 5.2747 5.2747 5.7632 5.7632 5.9042 5.9042 6.0429 6.0429 7.2288 7.2288 7.3508 7.3508 8.3965 8.3965 10.3815 10.3815 10.3908 10.3908 10.6877 10.6877 11.2652 11.2652 11.9093 11.9093 k = 0.1111 0.1000 0.0908 ( 6276 PWs) bands (ev): -13.3394 -13.3394 -13.3385 -13.3385 -13.3335 -13.3335 -13.3329 -13.3329 -12.3172 -12.3172 -12.3107 -12.3107 -12.3098 -12.3098 -12.3088 -12.3088 -12.2916 -12.2916 -12.2865 -12.2865 -5.8110 -5.8110 -3.4072 -3.4072 -3.4061 -3.4061 -0.4982 -0.4982 -0.3946 -0.3946 -0.3819 -0.3819 1.2673 1.2673 3.3251 3.3251 3.3703 3.3703 3.4430 3.4430 4.0773 4.0773 5.0855 5.0855 5.2283 5.2283 5.2422 5.2422 5.7163 5.7163 5.8626 5.8626 5.9202 5.9202 7.2221 7.2221 7.3453 7.3453 8.2609 8.2609 10.3553 10.3553 10.3639 10.3639 10.6519 10.6519 11.2449 11.2449 11.9606 11.9606 k = 0.1000 0.0900 0.0818 ( 6285 PWs) bands (ev): -13.3395 -13.3395 -13.3385 -13.3385 -13.3335 -13.3335 -13.3330 -13.3330 -12.3173 -12.3173 -12.3108 -12.3108 -12.3099 -12.3099 -12.3089 -12.3089 -12.2917 -12.2917 -12.2865 -12.2865 -5.8266 -5.8266 -3.4001 -3.4001 -3.3988 -3.3988 -0.4814 -0.4814 -0.3747 -0.3747 -0.3621 -0.3621 1.2671 1.2671 3.3029 3.3029 3.3462 3.3462 3.5408 3.5408 4.0648 4.0648 5.1740 5.1740 5.1950 5.1950 5.2170 5.2170 5.6717 5.6717 5.8051 5.8051 5.8249 5.8249 7.2159 7.2159 7.3403 7.3403 8.1228 8.1228 10.3299 10.3299 10.3379 10.3379 10.6174 10.6174 11.2287 11.2287 12.0096 12.0096 k = 0.0889 0.0800 0.0727 ( 6297 PWs) bands (ev): -13.3395 -13.3395 -13.3386 -13.3386 -13.3336 -13.3336 -13.3330 -13.3330 -12.3174 -12.3174 -12.3108 -12.3108 -12.3100 -12.3100 -12.3090 -12.3090 -12.2917 -12.2917 -12.2864 -12.2864 -5.8406 -5.8406 -3.3935 -3.3935 -3.3922 -3.3922 -0.4651 -0.4651 -0.3567 -0.3567 -0.3442 -0.3442 1.2640 1.2640 3.2827 3.2827 3.3254 3.3254 3.6415 3.6415 4.0535 4.0535 5.1638 5.1638 5.1754 5.1754 5.2728 5.2728 5.6279 5.6279 5.7086 5.7086 5.7913 5.7913 7.2102 7.2102 7.3360 7.3360 7.9835 7.9835 10.3058 10.3058 10.3133 10.3133 10.5848 10.5848 11.2160 11.2160 12.0556 12.0556 k = 0.0778 0.0700 0.0636 ( 6288 PWs) bands (ev): -13.3395 -13.3395 -13.3386 -13.3386 -13.3336 -13.3336 -13.3331 -13.3331 -12.3175 -12.3175 -12.3109 -12.3109 -12.3101 -12.3101 -12.3091 -12.3091 -12.2917 -12.2917 -12.2863 -12.2863 -5.8530 -5.8530 -3.3876 -3.3876 -3.3861 -3.3861 -0.4496 -0.4496 -0.3408 -0.3408 -0.3284 -0.3284 1.2586 1.2586 3.2653 3.2653 3.3077 3.3077 3.7444 3.7444 4.0434 4.0434 5.1352 5.1352 5.1491 5.1491 5.3165 5.3165 5.6032 5.6032 5.6452 5.6452 5.7617 5.7617 7.2047 7.2047 7.3322 7.3322 7.8441 7.8441 10.2836 10.2836 10.2906 10.2906 10.5549 10.5549 11.2060 11.2060 12.0979 12.0979 k = 0.0667 0.0600 0.0545 ( 6282 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3176 -12.3176 -12.3109 -12.3109 -12.3102 -12.3102 -12.3091 -12.3091 -12.2918 -12.2918 -12.2862 -12.2862 -5.8638 -5.8638 -3.3824 -3.3824 -3.3807 -3.3807 -0.4354 -0.4354 -0.3270 -0.3270 -0.3146 -0.3146 1.2519 1.2519 3.2507 3.2507 3.2929 3.2929 3.8494 3.8494 4.0347 4.0347 5.1094 5.1094 5.1242 5.1242 5.2752 5.2752 5.6063 5.6063 5.6485 5.6485 5.7362 5.7362 7.1993 7.1993 7.3289 7.3289 7.7066 7.7066 10.2636 10.2636 10.2702 10.2702 10.5282 10.5282 11.1984 11.1984 12.1359 12.1359 k = 0.0556 0.0500 0.0454 ( 6288 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3176 -12.3176 -12.3110 -12.3110 -12.3102 -12.3102 -12.3092 -12.3092 -12.2918 -12.2918 -12.2862 -12.2862 -5.8730 -5.8730 -3.3779 -3.3779 -3.3761 -3.3761 -0.4227 -0.4227 -0.3153 -0.3153 -0.3029 -0.3029 1.2447 1.2447 3.2388 3.2388 3.2808 3.2808 3.9559 3.9559 4.0276 4.0276 5.0868 5.0868 5.1017 5.1017 5.1807 5.1807 5.5793 5.5793 5.7147 5.7147 5.7417 5.7417 7.1932 7.1932 7.3262 7.3262 7.5737 7.5737 10.2462 10.2462 10.2525 10.2525 10.5050 10.5050 11.1927 11.1927 12.1691 12.1691 k = 0.0444 0.0400 0.0363 ( 6291 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3177 -12.3177 -12.3110 -12.3110 -12.3103 -12.3103 -12.3092 -12.3092 -12.2918 -12.2918 -12.2861 -12.2861 -5.8806 -5.8806 -3.3741 -3.3741 -3.3722 -3.3722 -0.4118 -0.4118 -0.3057 -0.3057 -0.2933 -0.2933 1.2376 1.2376 3.2294 3.2294 3.2713 3.2713 4.0198 4.0198 4.0658 4.0658 5.0647 5.0647 5.0677 5.0677 5.0878 5.0878 5.5588 5.5588 5.6972 5.6972 5.8479 5.8479 7.1849 7.1849 7.3239 7.3239 7.4499 7.4499 10.2316 10.2316 10.2376 10.2376 10.4857 10.4857 11.1884 11.1884 12.1969 12.1969 k = 0.0333 0.0300 0.0273 ( 6303 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3110 -12.3110 -12.3104 -12.3104 -12.3092 -12.3092 -12.2918 -12.2918 -12.2861 -12.2861 -5.8865 -5.8865 -3.3712 -3.3712 -3.3692 -3.3692 -0.4030 -0.4030 -0.2982 -0.2982 -0.2858 -0.2858 1.2314 1.2314 3.2223 3.2223 3.2641 3.2641 4.0157 4.0157 4.1732 4.1732 4.9535 4.9535 5.0526 5.0526 5.0695 5.0695 5.5435 5.5435 5.6836 5.6836 5.9515 5.9515 7.1701 7.1701 7.3222 7.3222 7.3447 7.3447 10.2200 10.2200 10.2259 10.2259 10.4704 10.4704 11.1853 11.1853 12.2190 12.2190 k = 0.0222 0.0200 0.0182 ( 6303 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8907 -5.8907 -3.3690 -3.3690 -3.3670 -3.3670 -0.3966 -0.3966 -0.2929 -0.2929 -0.2805 -0.2805 1.2266 1.2266 3.2173 3.2173 3.2591 3.2591 4.0124 4.0124 4.2779 4.2779 4.8432 4.8432 5.0416 5.0416 5.0583 5.0583 5.5328 5.5328 5.6740 5.6740 6.0414 6.0414 7.1399 7.1399 7.2745 7.2745 7.3210 7.3210 10.2116 10.2116 10.2174 10.2174 10.4594 10.4594 11.1833 11.1833 12.2350 12.2350 k = 0.0111 0.0100 0.0091 ( 6327 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8933 -5.8933 -3.3677 -3.3677 -3.3657 -3.3657 -0.3926 -0.3926 -0.2897 -0.2897 -0.2773 -0.2773 1.2235 1.2235 3.2144 3.2144 3.2561 3.2561 4.0104 4.0104 4.3692 4.3692 4.7481 4.7481 5.0349 5.0349 5.0515 5.0515 5.5264 5.5264 5.6682 5.6682 6.1048 6.1048 7.1003 7.1003 7.2448 7.2448 7.3203 7.3203 10.2066 10.2066 10.2122 10.2122 10.4528 10.4528 11.1821 11.1821 12.2447 12.2447 k = 0.0000 0.0000 0.0000 ( 6327 PWs) bands (ev): -13.3396 -13.3396 -13.3388 -13.3388 -13.3336 -13.3336 -13.3333 -13.3333 -12.3178 -12.3178 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8941 -5.8941 -3.3673 -3.3673 -3.3653 -3.3653 -0.3913 -0.3913 -0.2886 -0.2886 -0.2762 -0.2762 1.2224 1.2224 3.2134 3.2134 3.2551 3.2551 4.0097 4.0097 4.4126 4.4126 4.7034 4.7034 5.0326 5.0326 5.0493 5.0493 5.5243 5.5243 5.6663 5.6663 6.1280 6.1280 7.0822 7.0822 7.2377 7.2377 7.3200 7.3200 10.2049 10.2049 10.2105 10.2105 10.4506 10.4506 11.1817 11.1817 12.2480 12.2480 k = 0.0000 0.0000 0.0000 ( 6327 PWs) bands (ev): -13.3396 -13.3396 -13.3388 -13.3388 -13.3336 -13.3336 -13.3333 -13.3333 -12.3178 -12.3178 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8941 -5.8941 -3.3673 -3.3673 -3.3653 -3.3653 -0.3913 -0.3913 -0.2886 -0.2886 -0.2762 -0.2762 1.2224 1.2224 3.2134 3.2134 3.2551 3.2551 4.0097 4.0097 4.4126 4.4126 4.7034 4.7034 5.0326 5.0326 5.0493 5.0493 5.5243 5.5243 5.6663 5.6663 6.1280 6.1280 7.0822 7.0822 7.2377 7.2377 7.3200 7.3200 10.2049 10.2049 10.2105 10.2105 10.4506 10.4506 11.1817 11.1817 12.2480 12.2480 k = 0.0117-0.0012-0.0130 ( 6321 PWs) bands (ev): -13.3396 -13.3396 -13.3388 -13.3388 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3110 -12.3110 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8931 -5.8931 -3.3687 -3.3687 -3.3660 -3.3660 -0.4261 -0.4261 -0.2830 -0.2830 -0.2455 -0.2455 1.2251 1.2251 3.2108 3.2108 3.2524 3.2524 4.0116 4.0116 4.4157 4.4157 4.6886 4.6886 5.0346 5.0346 5.0515 5.0515 5.5307 5.5307 5.6723 5.6723 6.1181 6.1181 7.0845 7.0845 7.2392 7.2392 7.3214 7.3214 10.2091 10.2091 10.2155 10.2155 10.4556 10.4556 11.1875 11.1875 12.2472 12.2472 k = 0.0234-0.0025-0.0259 ( 6325 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3111 -12.3111 -12.3104 -12.3104 -12.3093 -12.3093 -12.2918 -12.2918 -12.2861 -12.2861 -5.8901 -5.8901 -3.3740 -3.3740 -3.3669 -3.3669 -0.4870 -0.4870 -0.2817 -0.2817 -0.1814 -0.1814 1.2329 1.2329 3.2029 3.2029 3.2445 3.2445 4.0172 4.0172 4.4245 4.4245 4.6472 4.6472 5.0396 5.0396 5.0590 5.0590 5.5450 5.5450 5.6928 5.6928 6.0889 6.0889 7.0911 7.0911 7.2427 7.2427 7.3265 7.3265 10.2193 10.2193 10.2328 10.2328 10.4708 10.4708 11.2046 11.2046 12.2444 12.2444 k = 0.0351-0.0037-0.0389 ( 6311 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3333 -13.3333 -12.3177 -12.3177 -12.3111 -12.3111 -12.3103 -12.3103 -12.3092 -12.3092 -12.2918 -12.2918 -12.2861 -12.2861 -5.8852 -5.8852 -3.3832 -3.3832 -3.3681 -3.3681 -0.5509 -0.5509 -0.2806 -0.2806 -0.1114 -0.1114 1.2460 1.2460 3.1902 3.1902 3.2323 3.2323 4.0259 4.0259 4.4378 4.4378 4.5857 4.5857 5.0454 5.0454 5.0738 5.0738 5.5574 5.5574 5.7323 5.7323 6.0422 6.0422 7.1008 7.1008 7.2458 7.2458 7.3376 7.3376 10.2348 10.2348 10.2621 10.2621 10.4969 10.4969 11.2324 11.2324 12.2378 12.2378 k = 0.0468-0.0050-0.0518 ( 6311 PWs) bands (ev): -13.3396 -13.3396 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3176 -12.3176 -12.3112 -12.3112 -12.3102 -12.3102 -12.3092 -12.3092 -12.2918 -12.2918 -12.2862 -12.2862 -5.8783 -5.8783 -3.3959 -3.3959 -3.3697 -3.3697 -0.6139 -0.6139 -0.2796 -0.2796 -0.0400 -0.0400 1.2642 1.2642 3.1731 3.1731 3.2172 3.2172 4.0367 4.0367 4.4506 4.4506 4.5141 4.5141 5.0517 5.0517 5.0963 5.0963 5.5633 5.5633 5.7895 5.7895 5.9803 5.9803 7.1116 7.1116 7.2473 7.2473 7.3563 7.3563 10.2560 10.2560 10.3014 10.3014 10.5346 10.5346 11.2701 11.2701 12.2255 12.2255 k = 0.0585-0.0062-0.0648 ( 6293 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3175 -12.3175 -12.3113 -12.3113 -12.3102 -12.3102 -12.3092 -12.3092 -12.2917 -12.2917 -12.2862 -12.2862 -5.8695 -5.8695 -3.4120 -3.4120 -3.3717 -3.3717 -0.6747 -0.6747 -0.2790 -0.2790 0.0313 0.0313 1.2877 1.2877 3.1521 3.1521 3.2008 3.2008 4.0485 4.0485 4.4122 4.4122 4.4870 4.4870 5.0589 5.0589 5.1264 5.1264 5.5639 5.5639 5.8582 5.8582 5.9066 5.9066 7.1201 7.1201 7.2498 7.2498 7.3824 7.3824 10.2829 10.2829 10.3487 10.3487 10.5853 10.5853 11.3163 11.3163 12.2061 12.2061 k = 0.0702-0.0074-0.0777 ( 6279 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3332 -13.3332 -12.3174 -12.3174 -12.3113 -12.3113 -12.3101 -12.3101 -12.3091 -12.3091 -12.2917 -12.2917 -12.2863 -12.2863 -5.8588 -5.8588 -3.4312 -3.4312 -3.3744 -3.3744 -0.7327 -0.7327 -0.2791 -0.2791 0.1017 0.1017 1.3161 1.3161 3.1279 3.1279 3.1847 3.1847 4.0597 4.0597 4.3255 4.3255 4.5039 4.5039 5.0675 5.0675 5.1637 5.1637 5.5612 5.5612 5.8197 5.8197 5.9372 5.9372 7.1218 7.1218 7.2585 7.2585 7.4141 7.4141 10.3155 10.3155 10.4019 10.4019 10.6499 10.6499 11.3699 11.3699 12.1796 12.1796 k = 0.0819-0.0087-0.0907 ( 6279 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3331 -13.3331 -12.3173 -12.3173 -12.3114 -12.3114 -12.3100 -12.3100 -12.3091 -12.3091 -12.2917 -12.2917 -12.2863 -12.2863 -5.8462 -5.8462 -3.4530 -3.4530 -3.3776 -3.3776 -0.7876 -0.7876 -0.2805 -0.2805 0.1702 0.1702 1.3496 1.3496 3.1012 3.1012 3.1706 3.1706 4.0677 4.0677 4.2351 4.2351 4.5231 4.5231 5.0780 5.0780 5.2077 5.2077 5.5565 5.5565 5.7282 5.7282 6.0176 6.0176 7.1132 7.1132 7.2774 7.2774 7.4500 7.4500 10.3534 10.3534 10.4596 10.4596 10.7288 10.7288 11.4290 11.4290 12.1470 12.1470 k = 0.0936-0.0099-0.1036 ( 6281 PWs) bands (ev): -13.3395 -13.3395 -13.3387 -13.3387 -13.3336 -13.3336 -13.3331 -13.3331 -12.3172 -12.3172 -12.3115 -12.3115 -12.3099 -12.3099 -12.3090 -12.3090 -12.2916 -12.2916 -12.2864 -12.2864 -5.8317 -5.8317 -3.4774 -3.4774 -3.3816 -3.3816 -0.8388 -0.8388 -0.2836 -0.2836 0.2362 0.2362 1.3877 1.3877 3.0729 3.0729 3.1596 3.1596 4.0612 4.0612 4.1562 4.1562 4.5403 4.5403 5.0908 5.0908 5.2566 5.2566 5.5490 5.5490 5.6348 5.6348 6.0998 6.0998 7.0950 7.0950 7.3069 7.3069 7.4891 7.4891 10.3964 10.3964 10.5207 10.5207 10.8215 10.8215 11.4922 11.4922 12.1100 12.1100 k = 0.1053-0.0112-0.1166 ( 6279 PWs) bands (ev): -13.3394 -13.3394 -13.3387 -13.3387 -13.3336 -13.3336 -13.3330 -13.3330 -12.3171 -12.3171 -12.3116 -12.3116 -12.3098 -12.3098 -12.3089 -12.3089 -12.2915 -12.2915 -12.2865 -12.2865 -5.8154 -5.8154 -3.5038 -3.5038 -3.3864 -3.3864 -0.8862 -0.8862 -0.2890 -0.2890 0.2990 0.2990 1.4303 1.4303 3.0438 3.0438 3.1528 3.1528 4.0066 4.0066 4.1239 4.1239 4.5538 4.5538 5.1061 5.1061 5.3055 5.3055 5.5158 5.5158 5.5703 5.5703 6.1819 6.1819 7.0694 7.0694 7.3455 7.3455 7.5308 7.5308 10.4441 10.4441 10.5851 10.5851 10.9260 10.9260 11.5577 11.5577 12.0705 12.0705 k = 0.1170-0.0124-0.1295 ( 6279 PWs) bands (ev): -13.3394 -13.3394 -13.3387 -13.3387 -13.3336 -13.3336 -13.3330 -13.3330 -12.3169 -12.3169 -12.3116 -12.3116 -12.3097 -12.3097 -12.3088 -12.3088 -12.2915 -12.2915 -12.2866 -12.2866 -5.7974 -5.7974 -3.5320 -3.5320 -3.3920 -3.3920 -0.9295 -0.9295 -0.2971 -0.2971 0.3579 0.3579 1.4770 1.4770 3.0146 3.0146 3.1512 3.1512 3.9211 3.9211 4.1221 4.1221 4.5617 4.5617 5.1242 5.1242 5.3271 5.3271 5.4586 5.4586 5.5627 5.5627 6.2625 6.2625 7.0384 7.0384 7.3921 7.3921 7.5748 7.5748 10.4963 10.4963 10.6530 10.6530 11.0394 11.0394 11.6237 11.6237 12.0313 12.0313 k = 0.1288-0.0136-0.1425 ( 6277 PWs) bands (ev): -13.3394 -13.3394 -13.3387 -13.3387 -13.3335 -13.3335 -13.3329 -13.3329 -12.3168 -12.3168 -12.3117 -12.3117 -12.3097 -12.3097 -12.3087 -12.3087 -12.2914 -12.2914 -12.2867 -12.2867 -5.7778 -5.7778 -3.5617 -3.5617 -3.3985 -3.3985 -0.9685 -0.9685 -0.3083 -0.3083 0.4122 0.4122 1.5272 1.5272 2.9861 2.9861 3.1555 3.1555 3.8319 3.8319 4.1245 4.1245 4.5620 4.5620 5.1451 5.1451 5.2674 5.2674 5.4727 5.4727 5.5735 5.5735 6.3404 6.3404 7.0037 7.0037 7.4461 7.4461 7.6210 7.6210 10.5525 10.5525 10.7246 10.7246 11.1570 11.1570 11.6881 11.6881 11.9967 11.9967 k = 0.1405-0.0149-0.1554 ( 6273 PWs) bands (ev): -13.3393 -13.3393 -13.3386 -13.3386 -13.3335 -13.3335 -13.3328 -13.3328 -12.3166 -12.3166 -12.3118 -12.3118 -12.3096 -12.3096 -12.3086 -12.3086 -12.2913 -12.2913 -12.2868 -12.2868 -5.7565 -5.7565 -3.5924 -3.5924 -3.4061 -3.4061 -1.0029 -1.0029 -0.3231 -0.3231 0.4615 0.4615 1.5803 1.5803 2.9585 2.9585 3.1663 3.1663 3.7453 3.7453 4.1264 4.1264 4.5520 4.5520 5.1677 5.1677 5.1770 5.1770 5.5056 5.5056 5.6091 5.6091 6.4139 6.4139 6.9670 6.9670 7.5072 7.5072 7.6693 7.6693 10.6122 10.6122 10.7999 10.7999 11.2709 11.2709 11.7485 11.7485 11.9746 11.9746 k = 0.1522-0.0161-0.1684 ( 6267 PWs) bands (ev): -13.3393 -13.3393 -13.3386 -13.3386 -13.3335 -13.3335 -13.3328 -13.3328 -12.3164 -12.3164 -12.3119 -12.3119 -12.3095 -12.3095 -12.3085 -12.3085 -12.2913 -12.2913 -12.2870 -12.2870 -5.7337 -5.7337 -3.6238 -3.6238 -3.4146 -3.4146 -1.0327 -1.0327 -0.3419 -0.3419 0.5052 0.5052 1.6355 1.6355 2.9323 2.9323 3.1841 3.1841 3.6639 3.6639 4.1265 4.1265 4.5281 4.5281 5.0850 5.0850 5.1962 5.1962 5.5257 5.5257 5.6722 5.6722 6.4806 6.4806 6.9305 6.9305 7.5754 7.5754 7.7199 7.7199 10.6751 10.6751 10.8788 10.8788 11.3665 11.3665 11.8045 11.8045 11.9765 11.9765 k = 0.1639-0.0174-0.1813 ( 6265 PWs) bands (ev): -13.3392 -13.3392 -13.3386 -13.3386 -13.3335 -13.3335 -13.3327 -13.3327 -12.3162 -12.3162 -12.3120 -12.3120 -12.3094 -12.3094 -12.3083 -12.3083 -12.2912 -12.2912 -12.2871 -12.2871 -5.7094 -5.7094 -3.6557 -3.6557 -3.4242 -3.4242 -1.0577 -1.0577 -0.3648 -0.3648 0.5429 0.5429 1.6919 1.6919 2.9074 2.9074 3.2089 3.2089 3.5896 3.5896 4.1248 4.1248 4.4861 4.4861 5.0058 5.0058 5.2260 5.2260 5.5408 5.5408 5.7497 5.7497 6.5364 6.5364 6.8986 6.8986 7.6505 7.6505 7.7730 7.7730 10.7405 10.7405 10.9611 10.9611 11.4238 11.4238 11.8618 11.8618 12.0123 12.0123 k = 0.1756-0.0186-0.1943 ( 6257 PWs) bands (ev): -13.3392 -13.3392 -13.3386 -13.3386 -13.3334 -13.3334 -13.3326 -13.3326 -12.3160 -12.3160 -12.3120 -12.3120 -12.3093 -12.3093 -12.3082 -12.3082 -12.2911 -12.2911 -12.2872 -12.2872 -5.6838 -5.6838 -3.6875 -3.6875 -3.4349 -3.4349 -1.0778 -1.0778 -0.3921 -0.3921 0.5746 0.5746 1.7481 1.7481 2.8838 2.8838 3.2406 3.2406 3.5242 3.5242 4.1213 4.1213 4.4237 4.4237 4.9422 4.9422 5.2586 5.2586 5.5571 5.5571 5.8340 5.8340 6.5737 6.5737 6.8787 6.8787 7.7323 7.7323 7.8290 7.8290 10.8081 10.8081 11.0463 11.0463 11.4336 11.4336 11.9174 11.9174 12.0872 12.0872 k = 0.1873-0.0198-0.2072 ( 6257 PWs) bands (ev): -13.3391 -13.3391 -13.3386 -13.3386 -13.3334 -13.3334 -13.3326 -13.3326 -12.3158 -12.3158 -12.3121 -12.3121 -12.3092 -12.3092 -12.3081 -12.3081 -12.2910 -12.2910 -12.2874 -12.2874 -5.6570 -5.6570 -3.7192 -3.7192 -3.4466 -3.4466 -1.0929 -1.0929 -0.4240 -0.4240 0.6002 0.6002 1.8031 1.8031 2.8614 2.8614 3.2781 3.2781 3.4700 3.4700 4.1163 4.1163 4.3423 4.3423 4.8946 4.8946 5.2939 5.2939 5.5771 5.5771 5.9221 5.9221 6.5834 6.5834 6.8803 6.8803 7.8199 7.8199 7.8887 7.8887 10.8772 10.8772 11.1336 11.1336 11.4070 11.4070 11.9492 11.9492 12.2001 12.2001 k = 0.1990-0.0211-0.2202 ( 6247 PWs) bands (ev): -13.3391 -13.3391 -13.3385 -13.3385 -13.3334 -13.3334 -13.3325 -13.3325 -12.3157 -12.3157 -12.3122 -12.3122 -12.3091 -12.3091 -12.3079 -12.3079 -12.2909 -12.2909 -12.2875 -12.2875 -5.6290 -5.6290 -3.7502 -3.7502 -3.4593 -3.4593 -1.1031 -1.1031 -0.4605 -0.4605 0.6198 0.6198 1.8552 1.8552 2.8398 2.8398 3.3196 3.3196 3.4296 3.4296 4.1103 4.1103 4.2467 4.2467 4.8597 4.8597 5.3316 5.3316 5.6015 5.6015 6.0123 6.0123 6.5640 6.5640 6.9052 6.9052 7.9099 7.9099 7.9553 7.9553 10.9472 10.9472 11.2209 11.2209 11.3605 11.3605 11.9456 11.9456 12.3167 12.3167 k = 0.2107-0.0223-0.2331 ( 6259 PWs) bands (ev): -13.3390 -13.3390 -13.3385 -13.3385 -13.3333 -13.3333 -13.3325 -13.3325 -12.3155 -12.3155 -12.3123 -12.3123 -12.3090 -12.3090 -12.3078 -12.3078 -12.2908 -12.2908 -12.2876 -12.2876 -5.6002 -5.6002 -3.7804 -3.7804 -3.4730 -3.4730 -1.1084 -1.1084 -0.5015 -0.5015 0.6338 0.6338 1.9028 1.9028 2.8192 2.8192 3.3575 3.3575 3.4099 3.4099 4.1037 4.1037 4.1433 4.1433 4.8338 4.8338 5.3716 5.3716 5.6310 5.6310 6.1035 6.1035 6.5242 6.5242 6.9451 6.9451 7.9921 7.9921 8.0387 8.0387 11.0173 11.0173 11.2785 11.2785 11.3320 11.3320 11.9097 11.9097 12.3621 12.3621 k = 0.2224-0.0236-0.2461 ( 6267 PWs) bands (ev): -13.3390 -13.3390 -13.3385 -13.3385 -13.3333 -13.3333 -13.3324 -13.3324 -12.3153 -12.3153 -12.3123 -12.3123 -12.3088 -12.3088 -12.3076 -12.3076 -12.2907 -12.2907 -12.2878 -12.2878 -5.5705 -5.5705 -3.8094 -3.8094 -3.4876 -3.4876 -1.1089 -1.1089 -0.5470 -0.5470 0.6424 0.6424 1.9443 1.9443 2.7998 2.7998 3.3705 3.3705 3.4295 3.4295 4.0392 4.0392 4.0972 4.0972 4.8138 4.8138 5.4136 5.4136 5.6656 5.6656 6.1951 6.1951 6.4727 6.4727 6.9919 6.9919 8.0643 8.0643 8.1407 8.1407 11.0860 11.0860 11.2248 11.2248 11.4067 11.4067 11.8514 11.8514 12.3996 12.3996 k = 0.2341-0.0248-0.2590 ( 6257 PWs) bands (ev): -13.3389 -13.3389 -13.3385 -13.3385 -13.3332 -13.3332 -13.3323 -13.3323 -12.3151 -12.3151 -12.3124 -12.3124 -12.3087 -12.3087 -12.3075 -12.3075 -12.2906 -12.2906 -12.2879 -12.2879 -5.5403 -5.5403 -3.8370 -3.8370 -3.5030 -3.5030 -1.1045 -1.1045 -0.5968 -0.5968 0.6461 0.6461 1.9782 1.9782 2.7827 2.7827 3.3761 3.3761 3.4626 3.4626 3.9439 3.9439 4.0914 4.0914 4.7980 4.7980 5.4574 5.4574 5.7054 5.7054 6.2861 6.2861 6.4148 6.4148 7.0410 7.0410 8.1352 8.1352 8.2523 8.2523 11.1356 11.1356 11.1727 11.1727 11.4881 11.4881 11.7801 11.7801 12.4328 12.4328 k = 0.2458-0.0260-0.2720 ( 6261 PWs) bands (ev): -13.3389 -13.3389 -13.3385 -13.3385 -13.3332 -13.3332 -13.3323 -13.3323 -12.3149 -12.3149 -12.3125 -12.3125 -12.3086 -12.3086 -12.3073 -12.3073 -12.2905 -12.2905 -12.2881 -12.2881 -5.5096 -5.5096 -3.8629 -3.8629 -3.5190 -3.5190 -1.0956 -1.0956 -0.6506 -0.6506 0.6455 0.6455 2.0033 2.0033 2.7691 2.7691 3.3914 3.3914 3.4757 3.4757 3.8739 3.8739 4.0873 4.0873 4.7857 4.7857 5.5026 5.5026 5.7504 5.7504 6.3499 6.3499 6.3794 6.3794 7.0902 7.0902 8.2076 8.2076 8.3697 8.3697 11.0750 11.0750 11.2245 11.2245 11.5597 11.5597 11.7026 11.7026 12.4453 12.4453 k = 0.2575-0.0273-0.2849 ( 6261 PWs) bands (ev): -13.3388 -13.3388 -13.3384 -13.3384 -13.3331 -13.3331 -13.3322 -13.3322 -12.3148 -12.3148 -12.3125 -12.3125 -12.3084 -12.3084 -12.3072 -12.3072 -12.2904 -12.2904 -12.2882 -12.2882 -5.4787 -5.4787 -3.8868 -3.8868 -3.5356 -3.5356 -1.0821 -1.0821 -0.7082 -0.7082 0.6411 0.6411 2.0190 2.0190 2.7603 2.7603 3.4132 3.4132 3.4495 3.4495 3.8490 3.8490 4.0861 4.0861 4.7771 4.7771 5.5489 5.5489 5.8004 5.8004 6.2883 6.2883 6.4661 6.4661 7.1385 7.1385 8.2822 8.2822 8.4917 8.4917 11.0007 11.0007 11.2830 11.2830 11.6021 11.6021 11.6347 11.6347 12.4194 12.4194 k = 0.2692-0.0285-0.2979 ( 6259 PWs) bands (ev): -13.3387 -13.3387 -13.3384 -13.3384 -13.3331 -13.3331 -13.3322 -13.3322 -12.3146 -12.3146 -12.3126 -12.3126 -12.3083 -12.3083 -12.3070 -12.3070 -12.2903 -12.2903 -12.2884 -12.2884 -5.4479 -5.4479 -3.9084 -3.9084 -3.5527 -3.5527 -1.0644 -1.0644 -0.7691 -0.7691 0.6333 0.6333 2.0254 2.0254 2.7574 2.7574 3.3658 3.3658 3.4574 3.4574 3.8683 3.8683 4.0892 4.0892 4.7725 4.7725 5.5956 5.5956 5.8553 5.8553 6.2246 6.2246 6.5528 6.5528 7.1850 7.1850 8.3591 8.3591 8.6173 8.6173 10.9259 10.9259 11.3303 11.3303 11.5433 11.5433 11.6430 11.6430 12.3601 12.3601 k = 0.2809-0.0298-0.3108 ( 6251 PWs) bands (ev): -13.3387 -13.3387 -13.3384 -13.3384 -13.3330 -13.3330 -13.3321 -13.3321 -12.3145 -12.3145 -12.3126 -12.3126 -12.3082 -12.3082 -12.3069 -12.3069 -12.2902 -12.2902 -12.2885 -12.2885 -5.4174 -5.4174 -3.9276 -3.9276 -3.5699 -3.5699 -1.0426 -1.0426 -0.8330 -0.8330 0.6228 0.6228 2.0233 2.0233 2.7608 2.7608 3.2680 3.2680 3.4958 3.4958 3.9114 3.9114 4.0986 4.0986 4.7730 4.7730 5.6418 5.6418 5.9146 5.9146 6.1629 6.1629 6.6372 6.6372 7.2296 7.2296 8.4381 8.4381 8.7457 8.7457 10.8522 10.8522 11.3473 11.3473 11.4921 11.4921 11.6246 11.6246 12.2871 12.2871 k = 0.2926-0.0310-0.3238 ( 6257 PWs) bands (ev): -13.3386 -13.3386 -13.3384 -13.3384 -13.3330 -13.3330 -13.3321 -13.3321 -12.3144 -12.3144 -12.3126 -12.3126 -12.3080 -12.3080 -12.3067 -12.3067 -12.2902 -12.2902 -12.2887 -12.2887 -5.3874 -5.3874 -3.9442 -3.9442 -3.5874 -3.5874 -1.0170 -1.0170 -0.8992 -0.8992 0.6099 0.6099 2.0140 2.0140 2.7702 2.7702 3.1586 3.1586 3.5363 3.5363 3.9627 3.9627 4.1164 4.1164 4.7797 4.7797 5.6855 5.6855 5.9764 5.9764 6.1075 6.1075 6.7188 6.7188 7.2716 7.2716 8.5187 8.5187 8.8761 8.8761 10.7809 10.7809 11.3098 11.3098 11.4834 11.4834 11.5629 11.5629 12.2143 12.2143 k = 0.3043-0.0322-0.3367 ( 6255 PWs) bands (ev): -13.3386 -13.3386 -13.3383 -13.3383 -13.3329 -13.3329 -13.3320 -13.3320 -12.3143 -12.3143 -12.3126 -12.3126 -12.3079 -12.3079 -12.3066 -12.3066 -12.2901 -12.2901 -12.2888 -12.2888 -5.3582 -5.3582 -3.9578 -3.9578 -3.6047 -3.6047 -0.9880 -0.9880 -0.9673 -0.9673 0.5951 0.5951 1.9991 1.9991 2.7851 2.7851 3.0451 3.0451 3.5742 3.5742 4.0140 4.0140 4.1447 4.1447 4.7937 4.7937 5.7229 5.7229 6.0209 6.0209 6.0827 6.0827 6.7973 6.7973 7.3109 7.3109 8.6005 8.6005 9.0073 9.0073 10.7132 10.7132 11.2434 11.2434 11.4516 11.4516 11.5023 11.5023 12.1502 12.1502 k = 0.3160-0.0335-0.3497 ( 6256 PWs) bands (ev): -13.3385 -13.3385 -13.3383 -13.3383 -13.3329 -13.3329 -13.3320 -13.3320 -12.3142 -12.3142 -12.3126 -12.3126 -12.3077 -12.3077 -12.3065 -12.3065 -12.2900 -12.2900 -12.2890 -12.2890 -5.3301 -5.3301 -3.9684 -3.9684 -3.6219 -3.6219 -1.0372 -1.0372 -0.9552 -0.9552 0.5788 0.5788 1.9802 1.9802 2.8044 2.8044 2.9314 2.9314 3.6060 3.6060 4.0606 4.0606 4.1846 4.1846 4.8161 4.8161 5.7463 5.7463 6.0073 6.0073 6.1376 6.1376 6.8725 6.8725 7.3469 7.3469 8.6825 8.6825 9.1381 9.1381 10.6507 10.6507 11.1720 11.1720 11.3316 11.3316 11.4927 11.4927 12.0998 12.0998 k = 0.3277-0.0347-0.3626 ( 6262 PWs) bands (ev): -13.3385 -13.3385 -13.3383 -13.3383 -13.3328 -13.3328 -13.3320 -13.3320 -12.3142 -12.3142 -12.3126 -12.3126 -12.3075 -12.3075 -12.3063 -12.3063 -12.2899 -12.2899 -12.2891 -12.2891 -5.3033 -5.3033 -3.9759 -3.9759 -3.6388 -3.6388 -1.1076 -1.1076 -0.9197 -0.9197 0.5613 0.5613 1.9586 1.9586 2.8087 2.8087 2.8378 2.8378 3.6301 3.6301 4.1002 4.1002 4.2356 4.2356 4.8474 4.8474 5.7460 5.7460 6.0040 6.0040 6.2144 6.2144 6.9440 6.9440 7.3793 7.3793 8.7639 8.7639 9.2669 9.2669 10.5947 10.5947 11.1017 11.1017 11.1943 11.1943 11.4662 11.4662 12.0635 12.0635 k = 0.3394-0.0360-0.3756 ( 6252 PWs) bands (ev): -13.3384 -13.3384 -13.3383 -13.3383 -13.3328 -13.3328 -13.3319 -13.3319 -12.3142 -12.3142 -12.3126 -12.3126 -12.3074 -12.3074 -12.3062 -12.3062 -12.2898 -12.2898 -12.2892 -12.2892 -5.2781 -5.2781 -3.9803 -3.9803 -3.6552 -3.6552 -1.1783 -1.1783 -0.8816 -0.8816 0.5428 0.5428 1.9356 1.9356 2.7046 2.7046 2.8584 2.8584 3.6462 3.6462 4.1318 4.1318 4.2958 4.2958 4.8870 4.8870 5.7222 5.7222 6.0266 6.0266 6.2977 6.2977 7.0120 7.0120 7.4076 7.4076 8.8433 8.8433 9.3912 9.3912 10.5474 10.5474 11.0281 11.0281 11.0579 11.0579 11.4201 11.4201 12.0342 12.0342 k = 0.3511-0.0372-0.3885 ( 6254 PWs) bands (ev): -13.3384 -13.3384 -13.3382 -13.3382 -13.3327 -13.3327 -13.3319 -13.3319 -12.3142 -12.3142 -12.3125 -12.3125 -12.3072 -12.3072 -12.3061 -12.3061 -12.2898 -12.2898 -12.2894 -12.2894 -5.2546 -5.2546 -3.9815 -3.9815 -3.6710 -3.6710 -1.2485 -1.2485 -0.8412 -0.8412 0.5236 0.5236 1.9122 1.9122 2.5973 2.5973 2.8882 2.8882 3.6554 3.6554 4.1553 4.1553 4.3619 4.3619 4.9337 4.9337 5.6863 5.6863 6.0665 6.0665 6.3855 6.3855 7.0762 7.0762 7.4313 7.4313 8.9194 8.9194 9.5076 9.5076 10.5106 10.5106 10.8994 10.8994 10.9814 10.9814 11.3602 11.3602 11.9995 11.9995 k = 0.3629-0.0384-0.4015 ( 6256 PWs) bands (ev): -13.3383 -13.3383 -13.3382 -13.3382 -13.3327 -13.3327 -13.3319 -13.3319 -12.3142 -12.3142 -12.3125 -12.3125 -12.3071 -12.3071 -12.3060 -12.3060 -12.2897 -12.2897 -12.2895 -12.2895 -5.2331 -5.2331 -3.9797 -3.9797 -3.6860 -3.6860 -1.3176 -1.3176 -0.7989 -0.7989 0.5039 0.5039 1.8890 1.8890 2.4936 2.4936 2.9204 2.9204 3.6593 3.6593 4.1717 4.1717 4.4302 4.4302 4.9856 4.9856 5.6486 5.6486 6.1154 6.1154 6.4770 6.4770 7.1368 7.1368 7.4500 7.4500 8.9903 8.9903 9.6112 9.6112 10.4854 10.4854 10.7628 10.7628 10.9252 10.9252 11.2937 11.2937 11.9483 11.9483 k = 0.3746-0.0397-0.4144 ( 6256 PWs) bands (ev): -13.3383 -13.3383 -13.3382 -13.3382 -13.3326 -13.3326 -13.3319 -13.3319 -12.3142 -12.3142 -12.3124 -12.3124 -12.3069 -12.3069 -12.3059 -12.3059 -12.2897 -12.2897 -12.2895 -12.2895 -5.2135 -5.2135 -3.9751 -3.9751 -3.7003 -3.7003 -1.3851 -1.3851 -0.7553 -0.7553 0.4839 0.4839 1.8666 1.8666 2.3945 2.3945 2.9542 2.9542 3.6591 3.6591 4.1822 4.1822 4.4966 4.4966 5.0404 5.0404 5.6150 5.6150 6.1690 6.1690 6.5710 6.5710 7.1942 7.1942 7.4634 7.4634 9.0539 9.0539 9.6957 9.6957 10.4631 10.4631 10.6496 10.6496 10.8746 10.8746 11.2276 11.2276 11.8775 11.8775 k = 0.3863-0.0409-0.4274 ( 6254 PWs) bands (ev): -13.3383 -13.3383 -13.3382 -13.3382 -13.3326 -13.3326 -13.3319 -13.3319 -12.3142 -12.3142 -12.3123 -12.3123 -12.3068 -12.3068 -12.3058 -12.3058 -12.2897 -12.2897 -12.2895 -12.2895 -5.1961 -5.1961 -3.9679 -3.9679 -3.7136 -3.7136 -1.4500 -1.4500 -0.7109 -0.7109 0.4637 0.4637 1.8454 1.8454 2.3007 2.3007 2.9891 2.9891 3.6562 3.6562 4.1881 4.1881 4.5570 4.5570 5.0960 5.0960 5.5896 5.5896 6.2251 6.2251 6.6663 6.6663 7.2487 7.2487 7.4710 7.4710 9.1082 9.1082 9.7546 9.7546 10.4066 10.4066 10.6056 10.6056 10.8275 10.8275 11.1680 11.1680 11.7923 11.7923 k = 0.3980-0.0422-0.4403 ( 6250 PWs) bands (ev): -13.3382 -13.3382 -13.3381 -13.3381 -13.3325 -13.3325 -13.3319 -13.3319 -12.3142 -12.3142 -12.3123 -12.3123 -12.3067 -12.3067 -12.3057 -12.3057 -12.2898 -12.2898 -12.2895 -12.2895 -5.1808 -5.1808 -3.9588 -3.9588 -3.7258 -3.7258 -1.5118 -1.5118 -0.6663 -0.6663 0.4435 0.4435 1.8257 1.8257 2.2129 2.2129 3.0243 3.0243 3.6513 3.6513 4.1909 4.1909 4.6079 4.6079 5.1507 5.1507 5.5751 5.5751 6.2826 6.2826 6.7609 6.7609 7.3011 7.3011 7.4728 7.4728 9.1509 9.1509 9.7835 9.7835 10.3143 10.3143 10.6374 10.6374 10.7828 10.7828 11.1199 11.1199 11.7016 11.7016 k = 0.4097-0.0434-0.4533 ( 6248 PWs) bands (ev): -13.3382 -13.3382 -13.3381 -13.3381 -13.3325 -13.3325 -13.3319 -13.3319 -12.3143 -12.3143 -12.3122 -12.3122 -12.3065 -12.3065 -12.3056 -12.3056 -12.2899 -12.2899 -12.2894 -12.2894 -5.1675 -5.1675 -3.9481 -3.9481 -3.7370 -3.7370 -1.5697 -1.5697 -0.6221 -0.6221 0.4235 0.4235 1.8077 1.8077 2.1319 2.1319 3.0593 3.0593 3.6451 3.6451 4.1914 4.1914 4.6468 4.6468 5.2027 5.2027 5.5730 5.5730 6.3405 6.3405 6.8524 6.8524 7.3524 7.3524 7.4688 7.4688 9.1802 9.1802 9.7813 9.7813 10.2260 10.2260 10.6993 10.6993 10.7469 10.7469 11.0862 11.0862 11.6129 11.6129 k = 0.4214-0.0446-0.4662 ( 6244 PWs) bands (ev): -13.3382 -13.3382 -13.3381 -13.3381 -13.3324 -13.3324 -13.3319 -13.3319 -12.3143 -12.3143 -12.3122 -12.3122 -12.3064 -12.3064 -12.3055 -12.3055 -12.2899 -12.2899 -12.2894 -12.2894 -5.1563 -5.1563 -3.9364 -3.9364 -3.7469 -3.7469 -1.6229 -1.6229 -0.5793 -0.5793 0.4039 0.4039 1.7917 1.7917 2.0584 2.0584 3.0932 3.0932 3.6382 3.6382 4.1904 4.1904 4.6729 4.6729 5.2509 5.2509 5.5827 5.5827 6.3981 6.3981 6.9380 6.9380 7.4033 7.4033 7.4599 7.4599 9.1948 9.1948 9.7506 9.7506 10.1584 10.1584 10.6874 10.6874 10.8047 10.8047 11.0663 11.0663 11.5328 11.5328 k = 0.4331-0.0459-0.4792 ( 6244 PWs) bands (ev): -13.3382 -13.3382 -13.3381 -13.3381 -13.3324 -13.3324 -13.3319 -13.3319 -12.3143 -12.3143 -12.3121 -12.3121 -12.3063 -12.3063 -12.3055 -12.3055 -12.2900 -12.2900 -12.2894 -12.2894 -5.1469 -5.1469 -3.9245 -3.9245 -3.7556 -3.7556 -1.6707 -1.6707 -0.5388 -0.5388 0.3851 0.3851 1.7777 1.7777 1.9932 1.9932 3.1253 3.1253 3.6310 3.6310 4.1887 4.1887 4.6873 4.6873 5.2942 5.2942 5.6021 5.6021 6.4544 6.4544 7.0143 7.0143 7.4377 7.4377 7.4639 7.4639 9.1949 9.1949 9.6992 9.6992 10.1140 10.1140 10.6501 10.6501 10.8978 10.8978 11.0558 11.0558 11.4678 11.4678 k = 0.4448-0.0471-0.4921 ( 6244 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3323 -13.3323 -13.3319 -13.3319 -12.3143 -12.3143 -12.3121 -12.3121 -12.3063 -12.3063 -12.3054 -12.3054 -12.2901 -12.2901 -12.2893 -12.2893 -5.1393 -5.1393 -3.9130 -3.9130 -3.7630 -3.7630 -1.7122 -1.7122 -0.5017 -0.5017 0.3676 0.3676 1.7658 1.7658 1.9369 1.9369 3.1547 3.1547 3.6238 3.6238 4.1867 4.1867 4.6925 4.6925 5.3318 5.3318 5.6274 5.6274 6.5080 6.5080 7.0785 7.0785 7.4231 7.4231 7.5148 7.5148 9.1821 9.1821 9.6386 9.6386 10.0876 10.0876 10.6178 10.6178 10.9860 10.9860 11.0490 11.0490 11.4244 11.4244 k = 0.4565-0.0484-0.5051 ( 6246 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3323 -13.3323 -13.3319 -13.3319 -12.3144 -12.3144 -12.3121 -12.3121 -12.3062 -12.3062 -12.3054 -12.3054 -12.2901 -12.2901 -12.2893 -12.2893 -5.1333 -5.1333 -3.9027 -3.9027 -3.7690 -3.7690 -1.7469 -1.7469 -0.4692 -0.4692 0.3519 0.3519 1.7561 1.7561 1.8904 1.8904 3.1804 3.1804 3.6171 3.6171 4.1846 4.1846 4.6917 4.6917 5.3630 5.3630 5.6545 5.6545 6.5573 6.5573 7.1289 7.1289 7.4029 7.4029 7.5689 7.5689 9.1601 9.1601 9.5794 9.5794 10.0728 10.0728 10.5930 10.5930 11.0290 11.0290 11.0685 11.0685 11.4077 11.4077 k = 0.5435 0.4015-0.0963 ( 6246 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3323 -13.3323 -13.3319 -13.3319 -12.3144 -12.3144 -12.3121 -12.3121 -12.3062 -12.3062 -12.3054 -12.3054 -12.2901 -12.2901 -12.2893 -12.2893 -5.1333 -5.1333 -3.9027 -3.9027 -3.7690 -3.7690 -1.7469 -1.7469 -0.4692 -0.4692 0.3519 0.3519 1.7561 1.7561 1.8904 1.8904 3.1804 3.1804 3.6171 3.6171 4.1846 4.1846 4.6917 4.6917 5.3630 5.3630 5.6545 5.6545 6.5573 6.5573 7.1289 7.1289 7.4029 7.4029 7.5689 7.5689 9.1601 9.1601 9.5794 9.5794 10.0728 10.0728 10.5930 10.5930 11.0290 11.0290 11.0685 11.0685 11.4077 11.4077 k = 0.5326 0.4136-0.0963 ( 6240 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3121 -12.3121 -12.3061 -12.3061 -12.3054 -12.3054 -12.2901 -12.2901 -12.2893 -12.2893 -5.1292 -5.1292 -3.8946 -3.8946 -3.7734 -3.7734 -1.7724 -1.7724 -0.4443 -0.4443 0.3396 0.3396 1.7492 1.7492 1.8564 1.8564 3.2001 3.2001 3.6117 3.6117 4.1830 4.1830 4.6882 4.6882 5.3858 5.3858 5.6776 5.6776 6.5969 6.5969 7.1633 7.1633 7.3841 7.3841 7.6157 7.6157 9.1360 9.1360 9.5321 9.5321 10.0655 10.0655 10.5769 10.5769 11.0170 11.0170 11.1134 11.1134 11.4149 11.4149 k = 0.5218 0.4256-0.0963 ( 6240 PWs) bands (ev): -13.3381 -13.3381 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3054 -12.3054 -12.2902 -12.2902 -12.2893 -12.2893 -5.1262 -5.1262 -3.8885 -3.8885 -3.7765 -3.7765 -1.7910 -1.7910 -0.4256 -0.4256 0.3302 0.3302 1.7442 1.7442 1.8318 1.8318 3.2149 3.2149 3.6074 3.6074 4.1817 4.1817 4.6843 4.6843 5.4022 5.4022 5.6960 5.6960 6.6282 6.6282 7.1865 7.1865 7.3681 7.3681 7.6541 7.6541 9.1135 9.1135 9.4962 9.4962 10.0617 10.0617 10.5667 10.5667 11.0020 11.0020 11.1406 11.1406 11.4342 11.4342 k = 0.5109 0.4377-0.0963 ( 6238 PWs) bands (ev): -13.3381 -13.3381 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2893 -12.2893 -5.1245 -5.1245 -3.8847 -3.8847 -3.7784 -3.7784 -1.8023 -1.8023 -0.4139 -0.4139 0.3242 0.3242 1.7412 1.7412 1.8169 1.8169 3.2241 3.2241 3.6047 3.6047 4.1809 4.1809 4.6813 4.6813 5.4122 5.4122 5.7078 5.7078 6.6483 6.6483 7.1998 7.1998 7.3572 7.3572 7.6796 7.6796 9.0975 9.0975 9.4738 9.4738 10.0600 10.0600 10.5613 10.5613 10.9906 10.9906 11.1535 11.1535 11.4525 11.4525 k = 0.5000 0.4498-0.0963 ( 6236 PWs) bands (ev): -13.3381 -13.3381 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2893 -12.2893 -5.1240 -5.1240 -3.8834 -3.8834 -3.7790 -3.7790 -1.8060 -1.8060 -0.4099 -0.4099 0.3222 0.3222 1.7402 1.7402 1.8119 1.8119 3.2272 3.2272 3.6037 3.6037 4.1806 4.1806 4.6802 4.6802 5.4156 5.4156 5.7119 5.7119 6.6553 6.6553 7.2041 7.2041 7.3533 7.3533 7.6886 7.6886 9.0918 9.0918 9.4662 9.4662 10.0595 10.0595 10.5596 10.5596 10.9864 10.9864 11.1572 11.1572 11.4597 11.4597 k = 0.5000 0.4498-0.0963 ( 6236 PWs) bands (ev): -13.3381 -13.3381 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2893 -12.2893 -5.1240 -5.1240 -3.8834 -3.8834 -3.7790 -3.7790 -1.8060 -1.8060 -0.4099 -0.4099 0.3222 0.3222 1.7402 1.7402 1.8119 1.8119 3.2272 3.2272 3.6037 3.6037 4.1806 4.1806 4.6802 4.6802 5.4156 5.4156 5.7119 5.7119 6.6553 6.6553 7.2041 7.2041 7.3533 7.3533 7.6886 7.6886 9.0918 9.0918 9.4662 9.4662 10.0595 10.0595 10.5596 10.5596 10.9864 10.9864 11.1572 11.1572 11.4597 11.4597 k = 0.5018 0.4515-0.0792 ( 6238 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3322 -13.3322 -13.3320 -13.3320 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2893 -12.2893 -5.1236 -5.1236 -3.8827 -3.8827 -3.7788 -3.7788 -1.8051 -1.8051 -0.4126 -0.4126 0.3195 0.3195 1.7281 1.7281 1.8105 1.8105 3.2334 3.2334 3.6071 3.6071 4.1901 4.1901 4.6869 4.6869 5.4155 5.4155 5.7130 5.7130 6.6551 6.6551 7.2065 7.2065 7.3544 7.3544 7.6890 7.6890 9.0931 9.0931 9.4668 9.4668 10.0568 10.0568 10.5558 10.5558 10.9852 10.9852 11.1532 11.1532 11.4596 11.4596 k = 0.5036 0.4531-0.0622 ( 6237 PWs) bands (ev): -13.3382 -13.3382 -13.3380 -13.3380 -13.3322 -13.3322 -13.3319 -13.3319 -12.3144 -12.3144 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2893 -12.2893 -5.1224 -5.1224 -3.8808 -3.8808 -3.7782 -3.7782 -1.8025 -1.8025 -0.4203 -0.4203 0.3117 0.3117 1.6958 1.6958 1.8032 1.8032 3.2517 3.2517 3.6171 3.6171 4.2180 4.2180 4.7068 4.7068 5.4153 5.4153 5.7162 5.7162 6.6542 6.6542 7.2139 7.2139 7.3577 7.3577 7.6901 7.6901 9.0970 9.0970 9.4687 9.4687 10.0489 10.0489 10.5445 10.5445 10.9815 10.9815 11.1412 11.1412 11.4591 11.4591 k = 0.5054 0.4547-0.0452 ( 6230 PWs) bands (ev): -13.3382 -13.3382 -13.3379 -13.3379 -13.3323 -13.3323 -13.3319 -13.3319 -12.3143 -12.3143 -12.3120 -12.3120 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2892 -12.2892 -5.1205 -5.1205 -3.8777 -3.8777 -3.7771 -3.7771 -1.7980 -1.7980 -0.4332 -0.4332 0.2988 0.2988 1.6485 1.6485 1.7862 1.7862 3.2818 3.2818 3.6335 3.6335 4.2635 4.2635 4.7393 4.7393 5.4148 5.4148 5.7216 5.7216 6.6530 6.6530 7.2262 7.2262 7.3631 7.3631 7.6921 7.6921 9.1035 9.1035 9.4718 9.4718 10.0360 10.0360 10.5264 10.5264 10.9753 10.9753 11.1216 11.1216 11.4580 11.4580 k = 0.5073 0.4564-0.0281 ( 6232 PWs) bands (ev): -13.3382 -13.3382 -13.3379 -13.3379 -13.3323 -13.3323 -13.3318 -13.3318 -12.3143 -12.3143 -12.3119 -12.3119 -12.3061 -12.3061 -12.3053 -12.3053 -12.2902 -12.2902 -12.2892 -12.2892 -5.1179 -5.1179 -3.8734 -3.8734 -3.7757 -3.7757 -1.7918 -1.7918 -0.4508 -0.4508 0.2816 0.2816 1.5899 1.5899 1.7583 1.7583 3.3232 3.3232 3.6561 3.6561 4.3249 4.3249 4.7836 4.7836 5.4142 5.4142 5.7292 5.7292 6.6514 6.6514 7.2431 7.2431 7.3706 7.3706 7.6948 7.6948 9.1127 9.1127 9.4760 9.4760 10.0187 10.0187 10.5021 10.5021 10.9665 10.9665 11.0950 11.0950 11.4558 11.4558 k = 0.5091 0.4580-0.0111 ( 6228 PWs) bands (ev): -13.3382 -13.3382 -13.3378 -13.3378 -13.3323 -13.3323 -13.3318 -13.3318 -12.3142 -12.3142 -12.3119 -12.3119 -12.3060 -12.3060 -12.3053 -12.3053 -12.2903 -12.2903 -12.2892 -12.2892 -5.1145 -5.1145 -3.8679 -3.8679 -3.7738 -3.7738 -1.7838 -1.7838 -0.4730 -0.4730 0.2605 0.2605 1.5224 1.5224 1.7198 1.7198 3.3751 3.3751 3.6845 3.6845 4.4004 4.4004 4.8385 4.8385 5.4132 5.4132 5.7391 5.7391 6.6497 6.6497 7.2646 7.2646 7.3804 7.3804 7.6984 7.6984 9.1245 9.1245 9.4813 9.4813 9.9977 9.9977 10.4725 10.4725 10.9550 10.9550 11.0622 11.0622 11.4518 11.4518 k = 0.5109 0.4596 0.0059 ( 6229 PWs) bands (ev): -13.3382 -13.3382 -13.3378 -13.3378 -13.3324 -13.3324 -13.3317 -13.3317 -12.3141 -12.3141 -12.3118 -12.3118 -12.3060 -12.3060 -12.3053 -12.3053 -12.2903 -12.2903 -12.2892 -12.2892 -5.1105 -5.1105 -3.8612 -3.8612 -3.7716 -3.7716 -1.7741 -1.7741 -0.4993 -0.4993 0.2362 0.2362 1.4478 1.4478 1.6720 1.6720 3.4367 3.4367 3.7182 3.7182 4.4876 4.4876 4.9030 4.9030 5.4118 5.4118 5.7514 5.7514 6.6481 6.6481 7.2904 7.2904 7.3923 7.3923 7.7028 7.7028 9.1389 9.1389 9.4875 9.4875 9.9737 9.9737 10.4388 10.4388 10.9408 10.9408 11.0243 11.0243 11.4449 11.4449 k = 0.5127 0.4612 0.0230 ( 6225 PWs) bands (ev): -13.3382 -13.3382 -13.3377 -13.3377 -13.3324 -13.3324 -13.3316 -13.3316 -12.3140 -12.3140 -12.3118 -12.3118 -12.3060 -12.3060 -12.3053 -12.3053 -12.2903 -12.2903 -12.2892 -12.2892 -5.1059 -5.1059 -3.8534 -3.8534 -3.7690 -3.7690 -1.7627 -1.7627 -0.5293 -0.5293 0.2096 0.2096 1.3680 1.3680 1.6160 1.6160 3.5072 3.5072 3.7567 3.7567 4.5845 4.5845 4.9762 4.9762 5.4100 5.4100 5.7660 5.7660 6.6467 6.6467 7.3203 7.3203 7.4064 7.4064 7.7082 7.7082 9.1560 9.1560 9.4944 9.4944 9.9473 9.9473 10.4019 10.4019 10.9235 10.9235 10.9824 10.9824 11.4341 11.4341 k = 0.5145 0.4629 0.0400 ( 6223 PWs) bands (ev): -13.3382 -13.3382 -13.3376 -13.3376 -13.3324 -13.3324 -13.3316 -13.3316 -12.3139 -12.3139 -12.3117 -12.3117 -12.3060 -12.3060 -12.3053 -12.3053 -12.2904 -12.2904 -12.2892 -12.2892 -5.1008 -5.1008 -3.8445 -3.8445 -3.7660 -3.7660 -1.7496 -1.7496 -0.5627 -0.5627 0.1813 0.1813 1.2844 1.2844 1.5531 1.5531 3.5855 3.5855 3.7994 3.7994 4.6887 4.6887 5.0572 5.0572 5.4076 5.4076 5.7831 5.7831 6.6458 6.6458 7.3540 7.3540 7.4228 7.4228 7.7145 7.7145 9.1758 9.1758 9.5020 9.5020 9.9195 9.9195 10.3628 10.3628 10.9026 10.9026 10.9379 10.9379 11.4184 11.4184 k = 0.5163 0.4645 0.0570 ( 6227 PWs) bands (ev): -13.3383 -13.3383 -13.3376 -13.3376 -13.3324 -13.3324 -13.3315 -13.3315 -12.3138 -12.3138 -12.3116 -12.3116 -12.3060 -12.3060 -12.3053 -12.3053 -12.2904 -12.2904 -12.2892 -12.2892 -5.0952 -5.0952 -3.8347 -3.8347 -3.7627 -3.7627 -1.7348 -1.7348 -0.5989 -0.5989 0.1521 0.1521 1.1981 1.1981 1.4848 1.4848 3.6710 3.6710 3.8457 3.8457 4.7976 4.7976 5.1456 5.1456 5.4046 5.4046 5.8026 5.8026 6.6456 6.6456 7.3905 7.3905 7.4421 7.4421 7.7220 7.7220 9.1983 9.1983 9.5099 9.5099 9.8908 9.8908 10.3224 10.3224 10.8759 10.8759 10.8938 10.8938 11.3970 11.3970 k = 0.5181 0.4661 0.0741 ( 6225 PWs) bands (ev): -13.3383 -13.3383 -13.3375 -13.3375 -13.3325 -13.3325 -13.3314 -13.3314 -12.3137 -12.3137 -12.3115 -12.3115 -12.3060 -12.3060 -12.3053 -12.3053 -12.2905 -12.2905 -12.2892 -12.2892 -5.0891 -5.0891 -3.8239 -3.8239 -3.7591 -3.7591 -1.7185 -1.7185 -0.6374 -0.6374 0.1228 0.1228 1.1102 1.1102 1.4120 1.4120 3.7625 3.7625 3.8949 3.8949 4.9086 4.9086 5.2414 5.2414 5.4010 5.4010 5.8245 5.8245 6.6463 6.6463 7.4278 7.4278 7.4660 7.4660 7.7308 7.7308 9.2235 9.2235 9.5179 9.5179 9.8619 9.8619 10.2816 10.2816 10.8361 10.8361 10.8580 10.8580 11.3694 11.3694 k = 0.5199 0.4678 0.0911 ( 6222 PWs) bands (ev): -13.3382 -13.3382 -13.3375 -13.3375 -13.3325 -13.3325 -13.3314 -13.3314 -12.3135 -12.3135 -12.3114 -12.3114 -12.3060 -12.3060 -12.3053 -12.3053 -12.2905 -12.2905 -12.2892 -12.2892 -5.0828 -5.0828 -3.8123 -3.8123 -3.7552 -3.7552 -1.7006 -1.7006 -0.6778 -0.6778 0.0940 0.0940 1.0216 1.0216 1.3359 1.3359 3.8594 3.8594 3.9464 3.9464 5.0189 5.0189 5.3444 5.3444 5.3970 5.3970 5.8489 5.8489 6.6483 6.6483 7.4612 7.4612 7.4989 7.4989 7.7411 7.7411 9.2513 9.2513 9.5257 9.5257 9.8335 9.8335 10.2410 10.2410 10.7886 10.7886 10.8250 10.8250 11.3355 11.3355 k = 0.5218 0.4694 0.1081 ( 6228 PWs) bands (ev): -13.3382 -13.3382 -13.3374 -13.3374 -13.3325 -13.3325 -13.3313 -13.3313 -12.3134 -12.3134 -12.3114 -12.3114 -12.3060 -12.3060 -12.3052 -12.3052 -12.2906 -12.2906 -12.2892 -12.2892 -5.0762 -5.0762 -3.8000 -3.8000 -3.7510 -3.7510 -1.6812 -1.6812 -0.7195 -0.7195 0.0663 0.0663 0.9330 0.9330 1.2573 1.2573 3.9606 3.9606 3.9994 3.9994 5.1260 5.1260 5.3904 5.3904 5.4572 5.4572 5.8757 5.8757 6.6518 6.6518 7.4884 7.4884 7.5422 7.5422 7.7530 7.7530 9.2816 9.2816 9.5331 9.5331 9.8061 9.8061 10.2012 10.2012 10.7398 10.7398 10.7882 10.7882 11.2955 11.2955 k = 0.5236 0.4710 0.1252 ( 6226 PWs) bands (ev): -13.3382 -13.3382 -13.3373 -13.3373 -13.3325 -13.3325 -13.3312 -13.3312 -12.3132 -12.3132 -12.3113 -12.3113 -12.3059 -12.3059 -12.3052 -12.3052 -12.2907 -12.2907 -12.2892 -12.2892 -5.0696 -5.0696 -3.7870 -3.7870 -3.7466 -3.7466 -1.6603 -1.6603 -0.7622 -0.7622 0.0403 0.0403 0.8452 0.8452 1.1771 1.1771 4.0533 4.0533 4.0655 4.0655 5.2276 5.2276 5.3848 5.3848 5.5762 5.5762 5.9048 5.9048 6.6572 6.6572 7.5130 7.5130 7.5920 7.5920 7.7671 7.7671 9.3144 9.3144 9.5398 9.5398 9.7802 9.7802 10.1628 10.1628 10.6907 10.6907 10.7460 10.7460 11.2496 11.2496 k = 0.5254 0.4727 0.1422 ( 6224 PWs) bands (ev): -13.3382 -13.3382 -13.3373 -13.3373 -13.3325 -13.3325 -13.3312 -13.3312 -12.3131 -12.3131 -12.3112 -12.3112 -12.3059 -12.3059 -12.3052 -12.3052 -12.2907 -12.2907 -12.2892 -12.2892 -5.0629 -5.0629 -3.7735 -3.7735 -3.7418 -3.7418 -1.6381 -1.6381 -0.8052 -0.8052 0.0164 0.0164 0.7585 0.7585 1.0960 1.0960 4.1076 4.1076 4.1728 4.1728 5.3224 5.3224 5.3783 5.3783 5.7021 5.7021 5.9363 5.9363 6.6650 6.6650 7.5366 7.5366 7.6456 7.6456 7.7837 7.7837 9.3492 9.3492 9.5457 9.5457 9.7561 9.7561 10.1261 10.1261 10.6408 10.6408 10.6975 10.6975 11.1958 11.1958 k = 0.5272 0.4743 0.1592 ( 6226 PWs) bands (ev): -13.3382 -13.3382 -13.3372 -13.3372 -13.3325 -13.3325 -13.3311 -13.3311 -12.3129 -12.3129 -12.3111 -12.3111 -12.3059 -12.3059 -12.3052 -12.3052 -12.2908 -12.2908 -12.2892 -12.2892 -5.0563 -5.0563 -3.7596 -3.7596 -3.7368 -3.7368 -1.6146 -1.6146 -0.8482 -0.8482 -0.0049 -0.0049 0.6736 0.6736 1.0145 1.0145 4.1616 4.1616 4.2819 4.2819 5.3692 5.3692 5.4121 5.4121 5.8321 5.8321 5.9708 5.9708 6.6759 6.6759 7.5594 7.5594 7.7018 7.7018 7.8032 7.8032 9.3856 9.3856 9.5507 9.5507 9.7344 9.7344 10.0915 10.0915 10.5887 10.5887 10.6429 10.6429 11.1249 11.1249 k = 0.5290 0.4759 0.1763 ( 6231 PWs) bands (ev): -13.3382 -13.3382 -13.3372 -13.3372 -13.3325 -13.3325 -13.3311 -13.3311 -12.3128 -12.3128 -12.3110 -12.3110 -12.3058 -12.3058 -12.3052 -12.3052 -12.2908 -12.2908 -12.2892 -12.2892 -5.0499 -5.0499 -3.7455 -3.7455 -3.7315 -3.7315 -1.5900 -1.5900 -0.8907 -0.8907 -0.0233 -0.0233 0.5909 0.5909 0.9332 0.9332 4.2148 4.2148 4.3916 4.3916 5.3611 5.3611 5.4931 5.4931 5.9568 5.9568 6.0149 6.0149 6.6908 6.6908 7.5812 7.5812 7.7597 7.7597 7.8261 7.8261 9.4224 9.4224 9.5552 9.5552 9.7152 9.7152 10.0592 10.0592 10.5311 10.5311 10.5832 10.5832 11.0261 11.0261 k = 0.5308 0.4776 0.1933 ( 6236 PWs) bands (ev): -13.3382 -13.3382 -13.3371 -13.3371 -13.3325 -13.3325 -13.3310 -13.3310 -12.3126 -12.3126 -12.3109 -12.3109 -12.3058 -12.3058 -12.3052 -12.3052 -12.2909 -12.2909 -12.2892 -12.2892 -5.0439 -5.0439 -3.7313 -3.7313 -3.7259 -3.7259 -1.5642 -1.5642 -0.9323 -0.9323 -0.0384 -0.0384 0.5107 0.5107 0.8527 0.8527 4.2666 4.2666 4.5009 4.5009 5.3518 5.3518 5.5681 5.5681 6.0267 6.0267 6.1144 6.1144 6.7117 6.7117 7.6015 7.6015 7.8182 7.8182 7.8529 7.8529 9.4577 9.4577 9.5606 9.5606 9.6991 9.6991 10.0293 10.0293 10.4641 10.4641 10.5200 10.5200 10.9105 10.9105 k = 0.5326 0.4792 0.2103 ( 6238 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3325 -13.3325 -13.3310 -13.3310 -12.3125 -12.3125 -12.3109 -12.3109 -12.3058 -12.3058 -12.3052 -12.3052 -12.2909 -12.2909 -12.2892 -12.2892 -5.0383 -5.0383 -3.7205 -3.7205 -3.7168 -3.7168 -1.5376 -1.5376 -0.9726 -0.9726 -0.0503 -0.0503 0.4334 0.4334 0.7735 0.7735 4.3166 4.3166 4.6086 4.6086 5.3416 5.3416 5.6373 5.6373 6.0667 6.0667 6.2393 6.2393 6.7413 6.7413 7.6201 7.6201 7.8743 7.8743 7.8859 7.8859 9.4868 9.4868 9.5699 9.5699 9.6864 9.6864 10.0015 10.0015 10.3864 10.3864 10.4510 10.4510 10.7955 10.7955 k = 0.5344 0.4808 0.2274 ( 6235 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3325 -13.3325 -13.3309 -13.3309 -12.3124 -12.3124 -12.3108 -12.3108 -12.3057 -12.3057 -12.3052 -12.3052 -12.2910 -12.2910 -12.2892 -12.2892 -5.0333 -5.0333 -3.7142 -3.7142 -3.7029 -3.7029 -1.5101 -1.5101 -1.0112 -1.0112 -0.0587 -0.0587 0.3595 0.3595 0.6961 0.6961 4.3643 4.3643 4.7132 4.7132 5.3308 5.3308 5.7012 5.7012 6.1038 6.1038 6.3553 6.3553 6.7850 6.7850 7.6368 7.6368 7.9143 7.9143 7.9375 7.9375 9.5038 9.5038 9.5875 9.5875 9.6780 9.6780 9.9755 9.9755 10.3006 10.3006 10.3715 10.3715 10.6924 10.6924 k = 0.5363 0.4824 0.2444 ( 6238 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3309 -13.3309 -12.3122 -12.3122 -12.3107 -12.3107 -12.3057 -12.3057 -12.3052 -12.3052 -12.2910 -12.2910 -12.2891 -12.2891 -5.0290 -5.0290 -3.7079 -3.7079 -3.6893 -3.6893 -1.4820 -1.4820 -1.0477 -1.0477 -0.0637 -0.0637 0.2893 0.2893 0.6209 0.6209 4.4094 4.4094 4.8135 4.8135 5.3192 5.3192 5.7606 5.7606 6.1400 6.1400 6.4514 6.4514 6.8494 6.8494 7.6516 7.6516 7.9513 7.9513 7.9929 7.9929 9.5081 9.5081 9.6102 9.6102 9.6760 9.6760 9.9504 9.9504 10.2098 10.2098 10.2812 10.2812 10.6044 10.6044 k = 0.5381 0.4841 0.2614 ( 6231 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3121 -12.3121 -12.3106 -12.3106 -12.3057 -12.3057 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0255 -5.0255 -3.7013 -3.7013 -3.6763 -3.6763 -1.4536 -1.4536 -1.0817 -1.0817 -0.0658 -0.0658 0.2236 0.2236 0.5487 0.5487 4.4517 4.4517 4.9075 4.9075 5.3071 5.3071 5.8163 5.8163 6.1749 6.1749 6.5218 6.5218 6.9379 6.9379 7.6647 7.6647 7.9900 7.9900 8.0456 8.0456 9.5045 9.5045 9.6278 9.6278 9.6839 9.6839 9.9244 9.9244 10.1171 10.1171 10.1867 10.1867 10.5273 10.5273 k = 0.5399 0.4857 0.2785 ( 6239 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3120 -12.3120 -12.3106 -12.3106 -12.3056 -12.3056 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0229 -5.0229 -3.6944 -3.6944 -3.6640 -3.6640 -1.4250 -1.4250 -1.1130 -1.1130 -0.0657 -0.0657 0.1631 0.1631 0.4801 0.4801 4.4907 4.4907 4.9937 4.9937 5.2946 5.2946 5.8693 5.8693 6.2082 6.2082 6.5686 6.5686 7.0457 7.0457 7.6762 7.6762 8.0295 8.0295 8.0938 8.0938 9.4958 9.4958 9.6364 9.6364 9.7000 9.7000 9.8955 9.8955 10.0254 10.0254 10.0976 10.0976 10.4546 10.4546 k = 0.5417 0.4873 0.2955 ( 6237 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3308 -13.3308 -12.3119 -12.3119 -12.3105 -12.3105 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0212 -5.0212 -3.6872 -3.6872 -3.6526 -3.6526 -1.3965 -1.3965 -1.1412 -1.1412 -0.0655 -0.0655 0.1098 0.1098 0.4159 0.4159 4.5263 4.5263 5.0701 5.0701 5.2817 5.2817 5.9206 5.9206 6.2392 6.2392 6.5982 6.5982 7.1634 7.1634 7.6865 7.6865 8.0684 8.0684 8.1365 8.1365 9.4826 9.4826 9.6410 9.6410 9.7151 9.7151 9.8627 9.8627 9.9381 9.9381 10.0201 10.0201 10.3837 10.3837 k = 0.5435 0.4890 0.3125 ( 6233 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3104 -12.3104 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0206 -5.0206 -3.6799 -3.6799 -3.6423 -3.6423 -1.3686 -1.3686 -1.1659 -1.1659 -0.0697 -0.0697 0.0679 0.0679 0.3572 0.3572 4.5583 4.5583 5.1352 5.1352 5.2686 5.2686 5.9711 5.9711 6.2673 6.2673 6.6154 6.6154 7.2828 7.2828 7.6957 7.6957 8.1052 8.1052 8.1723 8.1723 9.4651 9.4651 9.6448 9.6448 9.7233 9.7233 9.8255 9.8255 9.8630 9.8630 9.9526 9.9526 10.3168 10.3168 k = 0.5435 0.4890 0.3125 ( 6233 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3104 -12.3104 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0206 -5.0206 -3.6799 -3.6799 -3.6423 -3.6423 -1.3686 -1.3686 -1.1659 -1.1659 -0.0697 -0.0697 0.0679 0.0679 0.3572 0.3572 4.5583 4.5583 5.1352 5.1352 5.2686 5.2686 5.9711 5.9711 6.2673 6.2673 6.6154 6.6154 7.2828 7.2828 7.6957 7.6957 8.1052 8.1052 8.1723 8.1723 9.4651 9.4651 9.6448 9.6448 9.7233 9.7233 9.8255 9.8255 9.8630 9.8630 9.9526 9.9526 10.3168 10.3168 k = 0.5373 0.4834 0.3263 ( 6238 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3118 -12.3118 -12.3103 -12.3103 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0204 -5.0204 -3.6655 -3.6655 -3.6369 -3.6369 -1.3416 -1.3416 -1.1870 -1.1870 -0.0808 -0.0808 0.0344 0.0344 0.2895 0.2895 4.5930 4.5930 5.1778 5.1778 5.2746 5.2746 6.0488 6.0488 6.2833 6.2833 6.6270 6.6270 7.4023 7.4023 7.7319 7.7319 8.1533 8.1533 8.2049 8.2049 9.4647 9.4647 9.6163 9.6163 9.6912 9.6912 9.7668 9.7668 9.8068 9.8068 9.8862 9.8862 10.2578 10.2578 k = 0.5311 0.4778 0.3400 ( 6239 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3118 -12.3118 -12.3102 -12.3102 -12.3056 -12.3056 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0205 -5.0205 -3.6527 -3.6527 -3.6322 -3.6322 -1.3164 -1.3164 -1.2049 -1.2049 -0.0905 -0.0905 0.0057 0.0057 0.2297 0.2297 4.6226 4.6226 5.2133 5.2133 5.2799 5.2799 6.1217 6.1217 6.2985 6.2985 6.6339 6.6339 7.5136 7.5136 7.7647 7.7647 8.1956 8.1956 8.2330 8.2330 9.4628 9.4628 9.5887 9.5887 9.6558 9.6558 9.7072 9.7072 9.7635 9.7635 9.8221 9.8221 10.2016 10.2016 k = 0.5249 0.4722 0.3538 ( 6239 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3307 -13.3307 -12.3117 -12.3117 -12.3102 -12.3102 -12.3056 -12.3056 -12.3052 -12.3052 -12.2913 -12.2913 -12.2891 -12.2891 -5.0207 -5.0207 -3.6419 -3.6419 -3.6282 -3.6282 -1.2941 -1.2941 -1.2196 -1.2196 -0.0988 -0.0988 -0.0179 -0.0179 0.1790 0.1790 4.6471 4.6471 5.2418 5.2418 5.2844 5.2844 6.1874 6.1874 6.3127 6.3127 6.6363 6.6363 7.6124 7.6124 7.7944 7.7944 8.2312 8.2312 8.2564 8.2564 9.4599 9.4599 9.5629 9.5629 9.6219 9.6219 9.6585 9.6585 9.7224 9.7224 9.7622 9.7622 10.1528 10.1528 k = 0.5186 0.4666 0.3676 ( 6238 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3101 -12.3101 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0210 -5.0210 -3.6333 -3.6333 -3.6248 -3.6248 -1.2758 -1.2758 -1.2307 -1.2307 -0.1054 -0.1054 -0.0365 -0.0365 0.1382 0.1382 4.6662 4.6662 5.2636 5.2636 5.2881 5.2881 6.2430 6.2430 6.3259 6.3259 6.6347 6.6347 7.6932 7.6932 7.8219 7.8219 8.2595 8.2595 8.2749 8.2749 9.4563 9.4563 9.5399 9.5399 9.5936 9.5936 9.6228 9.6228 9.6840 9.6840 9.7089 9.7089 10.1145 10.1145 k = 0.5124 0.4610 0.3813 ( 6228 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3101 -12.3101 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0212 -5.0212 -3.6274 -3.6274 -3.6221 -3.6221 -1.2631 -1.2631 -1.2375 -1.2375 -0.1105 -0.1105 -0.0497 -0.0497 0.1084 0.1084 4.6798 4.6798 5.2786 5.2786 5.2913 5.2913 6.2840 6.2840 6.3390 6.3390 6.6305 6.6305 7.7494 7.7494 7.8485 7.8485 8.2796 8.2796 8.2887 8.2887 9.4526 9.4526 9.5209 9.5209 9.5745 9.5745 9.5988 9.5988 9.6524 9.6524 9.6653 9.6653 10.0876 10.0876 k = 0.5062 0.4554 0.3951 ( 6235 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0214 -5.0214 -3.6242 -3.6242 -3.6199 -3.6199 -1.2575 -1.2575 -1.2393 -1.2393 -0.1136 -0.1136 -0.0577 -0.0577 0.0902 0.0902 4.6881 4.6881 5.2864 5.2864 5.2943 5.2943 6.3065 6.3065 6.3517 6.3517 6.6260 6.6260 7.7793 7.7793 7.8709 7.8709 8.2909 8.2909 8.2979 8.2979 9.4498 9.4498 9.5080 9.5080 9.5645 9.5645 9.5856 9.5856 9.6315 9.6315 9.6354 9.6354 10.0719 10.0719 k = 0.5000 0.4498 0.4088 ( 6230 PWs) bands (ev): -13.3381 -13.3381 -13.3367 -13.3367 -13.3325 -13.3325 -13.3306 -13.3306 -12.3117 -12.3117 -12.3100 -12.3100 -12.3056 -12.3056 -12.3053 -12.3053 -12.2913 -12.2913 -12.2891 -12.2891 -5.0214 -5.0214 -3.6233 -3.6233 -3.6191 -3.6191 -1.2565 -1.2565 -1.2388 -1.2388 -0.1147 -0.1147 -0.0603 -0.0603 0.0841 0.0841 4.6908 4.6908 5.2884 5.2884 5.2959 5.2959 6.3130 6.3130 6.3576 6.3576 6.6240 6.6240 7.7882 7.7882 7.8800 7.8800 8.2944 8.2944 8.3012 8.3012 9.4487 9.4487 9.5033 9.5033 9.5613 9.5613 9.5824 9.5824 9.6220 9.6220 9.6264 9.6264 10.0668 10.0668 k = 0.5000-0.0530-0.0481 ( 6258 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3327 -13.3327 -13.3325 -13.3325 -12.3139 -12.3139 -12.3136 -12.3136 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4322 -5.4322 -4.2251 -4.2251 -3.2409 -3.2409 -0.9836 -0.9836 -0.5329 -0.5329 0.2195 0.2195 2.6717 2.6717 3.1335 3.1335 3.2196 3.2196 3.2386 3.2386 3.3813 3.3813 4.0275 4.0275 4.7806 4.7806 5.0050 5.0050 5.5182 5.5182 6.4950 6.4950 6.9216 6.9216 7.0717 7.0717 8.1283 8.1283 9.7572 9.7572 10.6708 10.6708 10.8017 10.8017 11.0644 11.0644 11.4054 11.4054 12.2430 12.2430 k = 0.5025-0.0401-0.0365 ( 6256 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3139 -12.3139 -12.3135 -12.3135 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4315 -5.4315 -4.2244 -4.2244 -3.2417 -3.2417 -0.9847 -0.9847 -0.5343 -0.5343 0.2179 0.2179 2.6674 2.6674 3.1331 3.1331 3.1815 3.1815 3.2733 3.2733 3.3851 3.3851 4.0300 4.0300 4.7671 4.7671 5.0305 5.0305 5.5196 5.5196 6.4960 6.4960 6.9217 6.9217 7.0719 7.0719 8.1312 8.1312 9.7559 9.7559 10.6687 10.6687 10.8044 10.8044 11.0632 11.0632 11.4074 11.4074 12.2390 12.2390 k = 0.5050-0.0273-0.0248 ( 6266 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3139 -12.3139 -12.3134 -12.3134 -12.3082 -12.3082 -12.3075 -12.3075 -12.2895 -12.2895 -12.2892 -12.2892 -5.4295 -5.4295 -4.2223 -4.2223 -3.2441 -3.2441 -0.9882 -0.9882 -0.5382 -0.5382 0.2130 0.2130 2.6538 2.6538 3.1157 3.1157 3.1511 3.1511 3.3108 3.3108 3.3964 3.3964 4.0372 4.0372 4.7407 4.7407 5.0929 5.0929 5.5240 5.5240 6.4990 6.4990 6.9220 6.9220 7.0725 7.0725 8.1395 8.1395 9.7522 9.7522 10.6627 10.6627 10.8119 10.8119 11.0595 11.0595 11.4134 11.4134 12.2271 12.2271 k = 0.5075-0.0144-0.0131 ( 6262 PWs) bands (ev): -13.3388 -13.3388 -13.3386 -13.3386 -13.3328 -13.3328 -13.3325 -13.3325 -12.3140 -12.3140 -12.3133 -12.3133 -12.3081 -12.3081 -12.3075 -12.3075 -12.2895 -12.2895 -12.2891 -12.2891 -5.4261 -5.4261 -4.2189 -4.2189 -3.2480 -3.2480 -0.9938 -0.9938 -0.5448 -0.5448 0.2049 0.2049 2.6293 2.6293 3.0662 3.0662 3.1539 3.1539 3.3436 3.3436 3.4148 3.4148 4.0483 4.0483 4.7190 4.7190 5.1743 5.1743 5.5315 5.5315 6.5039 6.5039 6.9226 6.9226 7.0734 7.0734 8.1534 8.1534 9.7461 9.7461 10.6540 10.6540 10.8229 10.8229 11.0535 11.0535 11.4234 11.4234 12.2076 12.2076 k = 0.5099-0.0016-0.0014 ( 6264 PWs) bands (ev): -13.3388 -13.3388 -13.3385 -13.3385 -13.3328 -13.3328 -13.3324 -13.3324 -12.3141 -12.3141 -12.3132 -12.3132 -12.3081 -12.3081 -12.3074 -12.3074 -12.2896 -12.2896 -12.2891 -12.2891 -5.4214 -5.4214 -4.2141 -4.2141 -3.2534 -3.2534 -1.0016 -1.0016 -0.5539 -0.5539 0.1939 0.1939 2.5918 2.5918 3.0120 3.0120 3.1645 3.1645 3.3733 3.3733 3.4396 3.4396 4.0625 4.0625 4.7099 4.7099 5.2662 5.2662 5.5421 5.5421 6.5108 6.5108 6.9235 6.9235 7.0749 7.0749 8.1724 8.1724 9.7380 9.7380 10.6432 10.6432 10.8360 10.8360 11.0451 11.0451 11.4374 11.4374 12.1811 12.1811 k = 0.5124 0.0113 0.0103 ( 6265 PWs) bands (ev): -13.3388 -13.3388 -13.3385 -13.3385 -13.3328 -13.3328 -13.3324 -13.3324 -12.3141 -12.3141 -12.3131 -12.3131 -12.3081 -12.3081 -12.3074 -12.3074 -12.2896 -12.2896 -12.2891 -12.2891 -5.4154 -5.4154 -4.2080 -4.2080 -3.2602 -3.2602 -1.0115 -1.0115 -0.5654 -0.5654 0.1802 0.1802 2.5401 2.5401 2.9569 2.9569 3.1795 3.1795 3.4023 3.4023 3.4704 3.4704 4.0797 4.0797 4.7155 4.7155 5.3640 5.3640 5.5563 5.5563 6.5195 6.5195 6.9252 6.9252 7.0769 7.0769 8.1965 8.1965 9.7279 9.7279 10.6310 10.6310 10.8500 10.8500 11.0344 11.0344 11.4552 11.4552 12.1481 12.1481 k = 0.5149 0.0241 0.0219 ( 6263 PWs) bands (ev): -13.3388 -13.3388 -13.3385 -13.3385 -13.3328 -13.3328 -13.3323 -13.3323 -12.3142 -12.3142 -12.3130 -12.3130 -12.3081 -12.3081 -12.3073 -12.3073 -12.2896 -12.2896 -12.2891 -12.2891 -5.4081 -5.4081 -4.2005 -4.2005 -3.2685 -3.2685 -1.0232 -1.0232 -0.5792 -0.5792 0.1641 0.1641 2.4747 2.4747 2.9001 2.9001 3.1989 3.1989 3.4333 3.4333 3.5068 3.5068 4.1002 4.1002 4.7354 4.7354 5.4635 5.4635 5.5760 5.5760 6.5301 6.5301 6.9276 6.9276 7.0797 7.0797 8.2252 8.2252 9.7162 9.7162 10.6174 10.6174 10.8639 10.8639 11.0214 11.0214 11.4764 11.4764 12.1093 12.1093 k = 0.5174 0.0370 0.0336 ( 6263 PWs) bands (ev): -13.3388 -13.3388 -13.3384 -13.3384 -13.3328 -13.3328 -13.3323 -13.3323 -12.3142 -12.3142 -12.3129 -12.3129 -12.3080 -12.3080 -12.3072 -12.3072 -12.2897 -12.2897 -12.2891 -12.2891 -5.3995 -5.3995 -4.1918 -4.1918 -3.2781 -3.2781 -1.0367 -1.0367 -0.5951 -0.5951 0.1458 0.1458 2.3974 2.3974 2.8394 2.8394 3.2226 3.2226 3.4689 3.4689 3.5484 3.5484 4.1246 4.1246 4.7679 4.7679 5.5504 5.5504 5.6136 5.6136 6.5424 6.5424 6.9313 6.9313 7.0834 7.0834 8.2583 8.2583 9.7033 9.7033 10.6023 10.6023 10.8770 10.8770 11.0062 11.0062 11.5007 11.5007 12.0657 12.0657 k = 0.5199 0.0498 0.0453 ( 6263 PWs) bands (ev): -13.3388 -13.3388 -13.3384 -13.3384 -13.3328 -13.3328 -13.3322 -13.3322 -12.3142 -12.3142 -12.3127 -12.3127 -12.3080 -12.3080 -12.3071 -12.3071 -12.2897 -12.2897 -12.2891 -12.2891 -5.3897 -5.3897 -4.1818 -4.1818 -3.2888 -3.2888 -1.0518 -1.0518 -0.6129 -0.6129 0.1258 0.1258 2.3109 2.3109 2.7730 2.7730 3.2506 3.2506 3.5108 3.5108 3.5946 3.5946 4.1536 4.1536 4.8106 4.8106 5.5947 5.5947 5.6981 5.6981 6.5565 6.5565 6.9364 6.9364 7.0881 7.0881 8.2953 8.2953 9.6896 9.6896 10.5857 10.5857 10.8885 10.8885 10.9888 10.9888 11.5270 11.5270 12.0182 12.0182 k = 0.5224 0.0627 0.0570 ( 6257 PWs) bands (ev): -13.3388 -13.3388 -13.3383 -13.3383 -13.3328 -13.3328 -13.3322 -13.3322 -12.3142 -12.3142 -12.3126 -12.3126 -12.3079 -12.3079 -12.3070 -12.3070 -12.2897 -12.2897 -12.2891 -12.2891 -5.3788 -5.3788 -4.1706 -4.1706 -3.3008 -3.3008 -1.0682 -1.0682 -0.6325 -0.6325 0.1044 0.1044 2.2174 2.2174 2.6998 2.6998 3.2831 3.2831 3.5600 3.5600 3.6451 3.6451 4.1873 4.1873 4.8614 4.8614 5.6233 5.6233 5.8010 5.8010 6.5721 6.5721 6.9433 6.9433 7.0940 7.0940 8.3359 8.3359 9.6754 9.6754 10.5672 10.5672 10.8980 10.8980 10.9694 10.9694 11.5538 11.5538 11.9678 11.9678 k = 0.5249 0.0756 0.0687 ( 6261 PWs) bands (ev): -13.3387 -13.3387 -13.3382 -13.3382 -13.3328 -13.3328 -13.3321 -13.3321 -12.3142 -12.3142 -12.3125 -12.3125 -12.3078 -12.3078 -12.3069 -12.3069 -12.2898 -12.2898 -12.2891 -12.2891 -5.3667 -5.3667 -4.1582 -4.1582 -3.3137 -3.3137 -1.0858 -1.0858 -0.6536 -0.6536 0.0819 0.0819 2.1190 2.1190 2.6201 2.6201 3.3198 3.3198 3.6168 3.6168 3.6992 3.6992 4.2258 4.2258 4.9185 4.9185 5.6516 5.6516 5.9062 5.9062 6.5893 6.5893 6.9524 6.9524 7.1016 7.1016 8.3797 8.3797 9.6612 9.6612 10.5468 10.5468 10.9048 10.9048 10.9479 10.9479 11.5791 11.5791 11.9162 11.9162 k = 0.5273 0.0884 0.0803 ( 6263 PWs) bands (ev): -13.3387 -13.3387 -13.3382 -13.3382 -13.3328 -13.3328 -13.3321 -13.3321 -12.3142 -12.3142 -12.3123 -12.3123 -12.3078 -12.3078 -12.3068 -12.3068 -12.2898 -12.2898 -12.2891 -12.2891 -5.3536 -5.3536 -4.1446 -4.1446 -3.3275 -3.3275 -1.1044 -1.1044 -0.6761 -0.6761 0.0588 0.0588 2.0173 2.0173 2.5343 2.5343 3.3605 3.3605 3.6807 3.6807 3.7566 3.7566 4.2685 4.2685 4.9804 4.9804 5.6815 5.6815 6.0103 6.0103 6.6079 6.6079 6.9643 6.9643 7.1109 7.1109 8.4262 8.4262 9.6474 9.6474 10.5244 10.5244 10.9081 10.9081 10.9249 10.9249 11.5989 11.5989 11.8661 11.8661 k = 0.5298 0.1013 0.0920 ( 6265 PWs) bands (ev): -13.3387 -13.3387 -13.3381 -13.3381 -13.3328 -13.3328 -13.3320 -13.3320 -12.3142 -12.3142 -12.3122 -12.3122 -12.3077 -12.3077 -12.3067 -12.3067 -12.2899 -12.2899 -12.2891 -12.2891 -5.3396 -5.3396 -4.1300 -4.1300 -3.3421 -3.3421 -1.1237 -1.1237 -0.6997 -0.6997 0.0354 0.0354 1.9135 1.9135 2.4434 2.4434 3.4052 3.4052 3.7513 3.7513 3.8169 3.8169 4.3151 4.3151 5.0461 5.0461 5.7137 5.7137 6.1116 6.1116 6.6278 6.6278 6.9796 6.9796 7.1223 7.1223 8.4751 8.4751 9.6345 9.6345 10.5001 10.5001 10.8975 10.8975 10.9102 10.9102 11.6068 11.6068 11.8226 11.8226 k = 0.5323 0.1141 0.1037 ( 6272 PWs) bands (ev): -13.3387 -13.3387 -13.3380 -13.3380 -13.3328 -13.3328 -13.3319 -13.3319 -12.3141 -12.3141 -12.3121 -12.3121 -12.3076 -12.3076 -12.3066 -12.3066 -12.2900 -12.2900 -12.2891 -12.2891 -5.3246 -5.3246 -4.1144 -4.1144 -3.3574 -3.3574 -1.1436 -1.1436 -0.7242 -0.7242 0.0119 0.0119 1.8085 1.8085 2.3483 2.3483 3.4534 3.4534 3.8279 3.8279 3.8798 3.8798 4.3649 4.3649 5.1150 5.1150 5.7481 5.7481 6.2089 6.2089 6.6490 6.6490 6.9989 6.9989 7.1362 7.1362 8.5259 8.5259 9.6229 9.6229 10.4741 10.4741 10.8709 10.8709 10.9054 10.9054 11.5942 11.5942 11.7926 11.7926 k = 0.5348 0.1270 0.1154 ( 6267 PWs) bands (ev): -13.3386 -13.3386 -13.3380 -13.3380 -13.3328 -13.3328 -13.3319 -13.3319 -12.3141 -12.3141 -12.3120 -12.3120 -12.3075 -12.3075 -12.3065 -12.3065 -12.2900 -12.2900 -12.2891 -12.2891 -5.3089 -5.3089 -4.0978 -4.0978 -3.3732 -3.3732 -1.1638 -1.1638 -0.7494 -0.7494 -0.0112 -0.0112 1.7032 1.7032 2.2501 2.2501 3.5050 3.5050 3.9093 3.9093 3.9451 3.9451 4.4173 4.4173 5.1865 5.1865 5.7847 5.7847 6.3007 6.3007 6.6714 6.6714 7.0231 7.0231 7.1528 7.1528 8.5783 8.5783 9.6129 9.6129 10.4466 10.4466 10.8417 10.8417 10.8966 10.8966 11.5577 11.5577 11.7774 11.7774 k = 0.5373 0.1398 0.1271 ( 6266 PWs) bands (ev): -13.3386 -13.3386 -13.3379 -13.3379 -13.3328 -13.3328 -13.3318 -13.3318 -12.3140 -12.3140 -12.3119 -12.3119 -12.3074 -12.3074 -12.3064 -12.3064 -12.2901 -12.2901 -12.2891 -12.2891 -5.2924 -5.2924 -4.0803 -4.0803 -3.3895 -3.3895 -1.1841 -1.1841 -0.7752 -0.7752 -0.0337 -0.0337 1.5981 1.5981 2.1494 2.1494 3.5595 3.5595 3.9934 3.9934 4.0143 4.0143 4.4716 4.4716 5.2604 5.2604 5.8233 5.8233 6.3859 6.3859 6.6950 6.6950 7.0531 7.0531 7.1725 7.1725 8.6318 8.6318 9.6052 9.6052 10.4181 10.4181 10.8106 10.8106 10.8828 10.8828 11.5037 11.5037 11.7680 11.7680 k = 0.5398 0.1527 0.1387 ( 6271 PWs) bands (ev): -13.3386 -13.3386 -13.3378 -13.3378 -13.3328 -13.3328 -13.3317 -13.3317 -12.3139 -12.3139 -12.3117 -12.3117 -12.3073 -12.3073 -12.3063 -12.3063 -12.2901 -12.2901 -12.2891 -12.2891 -5.2753 -5.2753 -4.0620 -4.0620 -3.4061 -3.4061 -1.2043 -1.2043 -0.8012 -0.8012 -0.0553 -0.0553 1.4939 1.4939 2.0470 2.0470 3.6165 3.6165 4.0716 4.0716 4.0949 4.0949 4.5272 4.5272 5.3364 5.3364 5.8636 5.8636 6.4632 6.4632 6.7199 6.7199 7.0898 7.0898 7.1956 7.1956 8.6859 8.6859 9.5999 9.5999 10.3889 10.3889 10.7775 10.7775 10.8635 10.8635 11.4398 11.4398 11.7511 11.7511 k = 0.5423 0.1655 0.1504 ( 6265 PWs) bands (ev): -13.3386 -13.3386 -13.3378 -13.3378 -13.3328 -13.3328 -13.3316 -13.3316 -12.3139 -12.3139 -12.3116 -12.3116 -12.3072 -12.3072 -12.3062 -12.3062 -12.2902 -12.2902 -12.2891 -12.2891 -5.2577 -5.2577 -4.0429 -4.0429 -3.4228 -3.4228 -1.2243 -1.2243 -0.8274 -0.8274 -0.0757 -0.0757 1.3910 1.3910 1.9434 1.9434 3.6757 3.6757 4.1428 4.1428 4.1871 4.1871 4.5836 4.5836 5.4145 5.4145 5.9053 5.9053 6.5318 6.5318 6.7462 6.7462 7.1335 7.1335 7.2225 7.2225 8.7403 8.7403 9.5977 9.5977 10.3595 10.3595 10.7422 10.7422 10.8383 10.8383 11.3702 11.3702 11.6841 11.6841 k = 0.5448 0.1784 0.1621 ( 6259 PWs) bands (ev): -13.3385 -13.3385 -13.3377 -13.3377 -13.3328 -13.3328 -13.3316 -13.3316 -12.3138 -12.3138 -12.3115 -12.3115 -12.3071 -12.3071 -12.3061 -12.3061 -12.2903 -12.2903 -12.2891 -12.2891 -5.2397 -5.2397 -4.0232 -4.0232 -3.4396 -3.4396 -1.2438 -1.2438 -0.8536 -0.8536 -0.0947 -0.0947 1.2897 1.2897 1.8393 1.8393 3.7365 3.7365 4.2130 4.2130 4.2839 4.2839 4.6402 4.6402 5.4943 5.4943 5.9478 5.9478 6.5915 6.5915 6.7742 6.7742 7.1840 7.1840 7.2536 7.2536 8.7944 8.7944 9.5988 9.5988 10.3306 10.3306 10.7047 10.7047 10.8070 10.8070 11.2973 11.2973 11.5680 11.5680 k = 0.5472 0.1912 0.1738 ( 6254 PWs) bands (ev): -13.3385 -13.3385 -13.3376 -13.3376 -13.3327 -13.3327 -13.3315 -13.3315 -12.3137 -12.3137 -12.3114 -12.3114 -12.3070 -12.3070 -12.3060 -12.3060 -12.2903 -12.2903 -12.2891 -12.2891 -5.2215 -5.2215 -4.0028 -4.0028 -3.4563 -3.4563 -1.2627 -1.2627 -0.8795 -0.8795 -0.1119 -0.1119 1.1905 1.1905 1.7351 1.7351 3.7984 3.7984 4.2834 4.2834 4.3832 4.3832 4.6967 4.6967 5.5759 5.5759 5.9907 5.9907 6.6431 6.6431 6.8040 6.8040 7.2397 7.2397 7.2901 7.2901 8.8478 8.8478 9.6036 9.6036 10.3026 10.3026 10.6646 10.6646 10.7695 10.7695 11.2222 11.2222 11.4467 11.4467 k = 0.5497 0.2041 0.1855 ( 6252 PWs) bands (ev): -13.3385 -13.3385 -13.3375 -13.3375 -13.3327 -13.3327 -13.3314 -13.3314 -12.3136 -12.3136 -12.3113 -12.3113 -12.3069 -12.3069 -12.3059 -12.3059 -12.2904 -12.2904 -12.2891 -12.2891 -5.2031 -5.2031 -3.9820 -3.9820 -3.4729 -3.4729 -1.2808 -1.2808 -0.9051 -0.9051 -0.1273 -0.1273 1.0936 1.0936 1.6311 1.6311 3.8609 3.8609 4.3539 4.3539 4.4840 4.4840 4.7530 4.7530 5.6589 5.6589 6.0333 6.0333 6.6878 6.6878 6.8360 6.8360 7.2963 7.2963 7.3348 7.3348 8.9000 8.9000 9.6124 9.6124 10.2760 10.2760 10.6218 10.6218 10.7257 10.7257 11.1460 11.1460 11.3255 11.3255 k = 0.5522 0.2169 0.1971 ( 6254 PWs) bands (ev): -13.3384 -13.3384 -13.3375 -13.3375 -13.3327 -13.3327 -13.3314 -13.3314 -12.3134 -12.3134 -12.3112 -12.3112 -12.3067 -12.3067 -12.3058 -12.3058 -12.2905 -12.2905 -12.2891 -12.2891 -5.1848 -5.1848 -3.9608 -3.9608 -3.4892 -3.4892 -1.2980 -1.2980 -0.9301 -0.9301 -0.1405 -0.1405 0.9994 0.9994 1.5278 1.5278 3.9235 3.9235 4.4247 4.4247 4.5848 4.5848 4.8093 4.8093 5.7431 5.7431 6.0747 6.0747 6.7271 6.7271 6.8708 6.8708 7.3481 7.3481 7.3920 7.3920 8.9506 8.9506 9.6253 9.6253 10.2512 10.2512 10.5757 10.5757 10.6759 10.6759 11.0694 11.0694 11.2055 11.2055 k = 0.5547 0.2298 0.2088 ( 6250 PWs) bands (ev): -13.3384 -13.3384 -13.3374 -13.3374 -13.3327 -13.3327 -13.3313 -13.3313 -12.3133 -12.3133 -12.3111 -12.3111 -12.3066 -12.3066 -12.3057 -12.3057 -12.2905 -12.2905 -12.2891 -12.2891 -5.1666 -5.1666 -3.9393 -3.9393 -3.5052 -3.5052 -1.3140 -1.3140 -0.9545 -0.9545 -0.1514 -0.1514 0.9080 0.9080 1.4255 1.4255 3.9855 3.9855 4.4954 4.4954 4.6834 4.6834 4.8667 4.8667 5.8281 5.8281 6.1142 6.1142 6.7628 6.7628 6.9089 6.9089 7.3968 7.3968 7.4584 7.4584 8.9993 8.9993 9.6424 9.6424 10.2286 10.2286 10.5260 10.5260 10.6204 10.6204 10.9927 10.9927 11.0874 11.0874 k = 0.5572 0.2426 0.2205 ( 6254 PWs) bands (ev): -13.3384 -13.3384 -13.3373 -13.3373 -13.3327 -13.3327 -13.3312 -13.3312 -12.3132 -12.3132 -12.3110 -12.3110 -12.3065 -12.3065 -12.3056 -12.3056 -12.2906 -12.2906 -12.2891 -12.2891 -5.1488 -5.1488 -3.9176 -3.9176 -3.5206 -3.5206 -1.3288 -1.3288 -0.9780 -0.9780 -0.1597 -0.1597 0.8197 0.8197 1.3246 1.3246 4.0465 4.0465 4.5661 4.5661 4.7759 4.7759 4.9284 4.9284 5.9134 5.9134 6.1510 6.1510 6.7960 6.7960 6.9510 6.9510 7.4462 7.4462 7.5285 7.5285 9.0458 9.0458 9.6634 9.6634 10.2082 10.2082 10.4723 10.4723 10.5596 10.5596 10.9158 10.9158 10.9721 10.9721 k = 0.5597 0.2555 0.2322 ( 6253 PWs) bands (ev): -13.3383 -13.3383 -13.3373 -13.3373 -13.3327 -13.3327 -13.3312 -13.3312 -12.3131 -12.3131 -12.3110 -12.3110 -12.3064 -12.3064 -12.3055 -12.3055 -12.2907 -12.2907 -12.2891 -12.2891 -5.1315 -5.1315 -3.8958 -3.8958 -3.5355 -3.5355 -1.3423 -1.3423 -1.0007 -1.0007 -0.1654 -0.1654 0.7347 0.7347 1.2252 1.2252 4.1059 4.1059 4.6364 4.6364 4.8562 4.8562 4.9996 4.9996 5.9982 5.9982 6.1844 6.1844 6.8280 6.8280 6.9976 6.9976 7.4978 7.4978 7.5996 7.5996 9.0900 9.0900 9.6878 9.6878 10.1900 10.1900 10.4142 10.4142 10.4947 10.4947 10.8346 10.8346 10.8643 10.8643 k = 0.5622 0.2683 0.2439 ( 6262 PWs) bands (ev): -13.3383 -13.3383 -13.3372 -13.3372 -13.3326 -13.3326 -13.3311 -13.3311 -12.3129 -12.3129 -12.3109 -12.3109 -12.3063 -12.3063 -12.3054 -12.3054 -12.2907 -12.2907 -12.2891 -12.2891 -5.1148 -5.1148 -3.8740 -3.8740 -3.5498 -3.5498 -1.3542 -1.3542 -1.0224 -1.0224 -0.1682 -0.1682 0.6531 0.6531 1.1279 1.1279 4.1631 4.1631 4.7063 4.7063 4.9200 4.9200 5.0835 5.0835 6.0816 6.0816 6.2140 6.2140 6.8598 6.8598 7.0491 7.0491 7.5518 7.5518 7.6702 7.6702 9.1318 9.1318 9.7150 9.7150 10.1733 10.1733 10.3517 10.3517 10.4269 10.4269 10.7359 10.7359 10.7778 10.7778 k = 0.5646 0.2812 0.2556 ( 6253 PWs) bands (ev): -13.3383 -13.3383 -13.3371 -13.3371 -13.3326 -13.3326 -13.3311 -13.3311 -12.3128 -12.3128 -12.3108 -12.3108 -12.3062 -12.3062 -12.3054 -12.3054 -12.2908 -12.2908 -12.2891 -12.2891 -5.0990 -5.0990 -3.8524 -3.8524 -3.5633 -3.5633 -1.3645 -1.3645 -1.0430 -1.0430 -0.1681 -0.1681 0.5751 0.5751 1.0328 1.0328 4.2178 4.2178 4.7754 4.7754 4.9699 4.9699 5.1769 5.1769 6.1618 6.1618 6.2401 6.2401 6.8922 6.8922 7.1055 7.1055 7.6080 7.6080 7.7394 7.7394 9.1716 9.1716 9.7437 9.7437 10.1566 10.1566 10.2852 10.2852 10.3576 10.3576 10.6291 10.6291 10.7036 10.7036 k = 0.5671 0.2940 0.2672 ( 6248 PWs) bands (ev): -13.3383 -13.3383 -13.3371 -13.3371 -13.3326 -13.3326 -13.3310 -13.3310 -12.3127 -12.3127 -12.3108 -12.3108 -12.3061 -12.3061 -12.3053 -12.3053 -12.2909 -12.2909 -12.2891 -12.2891 -5.0842 -5.0842 -3.8309 -3.8309 -3.5760 -3.5760 -1.3730 -1.3730 -1.0623 -1.0623 -0.1649 -0.1649 0.5007 0.5007 0.9403 0.9403 4.2696 4.2696 4.8434 4.8434 5.0101 5.0101 5.2746 5.2746 6.2316 6.2316 6.2688 6.2688 6.9261 6.9261 7.1665 7.1665 7.6660 7.6660 7.8064 7.8064 9.2093 9.2093 9.7727 9.7727 10.1370 10.1370 10.2160 10.2160 10.2890 10.2890 10.5233 10.5233 10.6338 10.6338 k = 0.5696 0.3069 0.2789 ( 6245 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3326 -13.3326 -13.3310 -13.3310 -12.3125 -12.3125 -12.3107 -12.3107 -12.3060 -12.3060 -12.3053 -12.3053 -12.2909 -12.2909 -12.2891 -12.2891 -5.0706 -5.0706 -3.8098 -3.8098 -3.5879 -3.5879 -1.3797 -1.3797 -1.0804 -1.0804 -0.1586 -0.1586 0.4300 0.4300 0.8508 0.8508 4.3182 4.3182 4.9099 4.9099 5.0434 5.0434 5.3731 5.3731 6.2645 6.2645 6.3251 6.3251 6.9622 6.9622 7.2315 7.2315 7.7254 7.7254 7.8706 7.8706 9.2454 9.2454 9.8001 9.8001 10.1082 10.1082 10.1475 10.1475 10.2238 10.2238 10.4202 10.4202 10.5690 10.5690 k = 0.5721 0.3197 0.2906 ( 6243 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3326 -13.3326 -13.3309 -13.3309 -12.3124 -12.3124 -12.3107 -12.3107 -12.3059 -12.3059 -12.3053 -12.3053 -12.2910 -12.2910 -12.2891 -12.2891 -5.0584 -5.0584 -3.7890 -3.7890 -3.5989 -3.5989 -1.3845 -1.3845 -1.0971 -1.0971 -0.1492 -0.1492 0.3631 0.3631 0.7648 0.7648 4.3633 4.3633 4.9741 4.9741 5.0709 5.0709 5.4704 5.4704 6.2777 6.2777 6.3906 6.3906 7.0012 7.0012 7.2995 7.2995 7.7856 7.7856 7.9313 7.9313 9.2799 9.2799 9.8233 9.8233 10.0577 10.0577 10.0891 10.0891 10.1654 10.1654 10.3205 10.3205 10.5110 10.5110 k = 0.5746 0.3326 0.3023 ( 6245 PWs) bands (ev): -13.3382 -13.3382 -13.3370 -13.3370 -13.3325 -13.3325 -13.3309 -13.3309 -12.3123 -12.3123 -12.3106 -12.3106 -12.3059 -12.3059 -12.3052 -12.3052 -12.2910 -12.2910 -12.2891 -12.2891 -5.0476 -5.0476 -3.7689 -3.7689 -3.6088 -3.6088 -1.3872 -1.3872 -1.1124 -1.1124 -0.1367 -0.1367 0.2999 0.2999 0.6826 0.6826 4.4049 4.4049 5.0355 5.0355 5.0934 5.0934 5.5653 5.5653 6.2847 6.2847 6.4509 6.4509 7.0435 7.0435 7.3695 7.3695 7.8456 7.8456 7.9877 7.9877 9.3132 9.3132 9.8384 9.8384 9.9923 9.9923 10.0364 10.0364 10.1139 10.1139 10.2248 10.2248 10.4618 10.4618 k = 0.5771 0.3454 0.3140 ( 6251 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3122 -12.3122 -12.3106 -12.3106 -12.3058 -12.3058 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0384 -5.0384 -3.7494 -3.7494 -3.6177 -3.6177 -1.3879 -1.3879 -1.1263 -1.1263 -0.1215 -0.1215 0.2406 0.2406 0.6050 0.6050 4.4429 4.4429 5.0928 5.0928 5.1113 5.1113 5.6566 5.6566 6.2872 6.2872 6.5033 6.5033 7.0888 7.0888 7.4401 7.4401 7.9047 7.9047 8.0390 8.0390 9.3453 9.3453 9.8373 9.8373 9.9300 9.9300 9.9829 9.9829 10.0659 10.0659 10.1349 10.1349 10.4211 10.4211 k = 0.5796 0.3583 0.3256 ( 6245 PWs) bands (ev): -13.3382 -13.3382 -13.3369 -13.3369 -13.3325 -13.3325 -13.3308 -13.3308 -12.3121 -12.3121 -12.3105 -12.3105 -12.3057 -12.3057 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0311 -5.0311 -3.7306 -3.7306 -3.6256 -3.6256 -1.3864 -1.3864 -1.1386 -1.1386 -0.1042 -0.1042 0.1855 0.1855 0.5327 0.5327 4.4772 4.4772 5.1230 5.1230 5.1472 5.1472 5.7435 5.7435 6.2861 6.2861 6.5465 6.5465 7.1366 7.1366 7.5098 7.5098 7.9616 7.9616 8.0843 8.0843 9.3764 9.3764 9.8085 9.8085 9.8786 9.8786 9.9342 9.9342 10.0198 10.0198 10.0556 10.0556 10.3868 10.3868 k = 0.5820 0.3712 0.3373 ( 6242 PWs) bands (ev): -13.3382 -13.3382 -13.3368 -13.3368 -13.3325 -13.3325 -13.3308 -13.3308 -12.3120 -12.3120 -12.3105 -12.3105 -12.3057 -12.3057 -12.3052 -12.3052 -12.2911 -12.2911 -12.2891 -12.2891 -5.0256 -5.0256 -3.7127 -3.7127 -3.6323 -3.6323 -1.3827 -1.3827 -1.1493 -1.1493 -0.0863 -0.0863 0.1354 0.1354 0.4665 0.4665 4.5078 4.5078 5.1315 5.1315 5.1945 5.1945 5.8254 5.8254 6.2820 6.2820 6.5799 6.5799 7.1859 7.1859 7.5770 7.5770 8.0150 8.0150 8.1223 8.1223 9.4068 9.4068 9.7574 9.7574 9.8302 9.8302 9.8933 9.8933 9.9634 9.9634 10.0057 10.0057 10.3577 10.3577 k = 0.5845 0.3840 0.3490 ( 6230 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3105 -12.3105 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0221 -5.0221 -3.6958 -3.6958 -3.6379 -3.6379 -1.3768 -1.3768 -1.1584 -1.1584 -0.0718 -0.0718 0.0936 0.0936 0.4075 0.4075 4.5348 4.5348 5.1355 5.1355 5.2355 5.2355 5.9014 5.9014 6.2755 6.2755 6.6030 6.6030 7.2351 7.2351 7.6396 7.6396 8.0634 8.0634 8.1520 8.1520 9.4365 9.4365 9.7005 9.7005 9.7775 9.7775 9.8574 9.8574 9.9053 9.9053 9.9775 9.9775 10.3340 10.3340 k = 0.5870 0.3969 0.3607 ( 6233 PWs) bands (ev): -13.3381 -13.3381 -13.3368 -13.3368 -13.3325 -13.3325 -13.3307 -13.3307 -12.3119 -12.3119 -12.3104 -12.3104 -12.3056 -12.3056 -12.3052 -12.3052 -12.2912 -12.2912 -12.2891 -12.2891 -5.0206 -5.0206 -3.6799 -3.6799 -3.6422 -3.6422 -1.3686 -1.3686 -1.1659 -1.1659 -0.0697 -0.0697 0.0679 0.0679 0.3572 0.3572 4.5583 4.5583 5.1352 5.1352 5.2686 5.2686 5.9710 5.9710 6.2673 6.2673 6.6154 6.6154 7.2827 7.2827 7.6957 7.6957 8.1052 8.1052 8.1723 8.1723 9.4651 9.4651 9.6448 9.6448 9.7233 9.7233 9.8255 9.8255 9.8630 9.8630 9.9526 9.9526 10.3168 10.3168 Writing output data file SnP3.save init_run : 0.29s CPU 0.44s WALL ( 1 calls) electrons : 224.30s CPU 226.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 224.30s CPU 226.96s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 236 calls) cegterg : 205.20s CPU 207.35s WALL ( 299 calls) Called by sum_band: Called by *egterg: h_psi : 112.29s CPU 113.75s WALL ( 5078 calls) s_psi : 15.41s CPU 15.29s WALL ( 5078 calls) g_psi : 0.32s CPU 0.33s WALL ( 4543 calls) cdiaghg : 66.19s CPU 66.35s WALL ( 4779 calls) cegterg:over : 9.63s CPU 10.15s WALL ( 4543 calls) cegterg:upda : 8.72s CPU 9.00s WALL ( 4543 calls) cegterg:last : 4.35s CPU 4.28s WALL ( 807 calls) cdiaghg:chol : 4.07s CPU 3.89s WALL ( 4779 calls) cdiaghg:inve : 2.92s CPU 2.82s WALL ( 4779 calls) cdiaghg:para : 4.73s CPU 5.02s WALL ( 9558 calls) Called by h_psi: h_psi:vloc : 87.31s CPU 88.69s WALL ( 5078 calls) h_psi:vnl : 24.61s CPU 24.71s WALL ( 5078 calls) add_vuspsi : 13.67s CPU 13.78s WALL ( 5078 calls) General routines calbec : 10.92s CPU 10.91s WALL ( 5078 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.50s CPU 83.84s WALL ( 757848 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.29s WALL ( 472 calls) Parallel routines fft_scatter : 28.81s CPU 28.67s WALL ( 757871 calls) PWSCF : 4m 3.72s CPU 4m20.13s WALL This run was terminated on: 21:10:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=