Program PWSCF v.5.1.1 starts on 21Nov2015 at 8:54:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FePSe3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 46 13 1952 1317 196 Max 61 47 14 1956 1341 199 Sum 2891 2243 629 93793 63917 9491 bravais-lattice index = 14 lattice parameter (alat) = 14.2224 a.u. unit-cell volume = 1513.9559 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.222421 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.653532 celldm(5)= 0.653532 celldm(6)= 0.653532 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.653532 0.756899 0.000000 ) a(3) = ( 0.653532 0.299152 0.695272 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.863434 -0.568459 ) b(2) = ( 0.000000 1.321181 -0.568459 ) b(3) = ( 0.000000 0.000000 1.438285 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for P read from file: /home/autes/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 Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 218 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0161290 -0.0139264 -0.0091687), wk = 0.0045872 k( 3) = ( 0.0322581 -0.0278527 -0.0183374), wk = 0.0045872 k( 4) = ( 0.0483871 -0.0417791 -0.0275061), wk = 0.0045872 k( 5) = ( 0.0645161 -0.0557054 -0.0366748), wk = 0.0045872 k( 6) = ( 0.0806452 -0.0696318 -0.0458435), wk = 0.0045872 k( 7) = ( 0.0967742 -0.0835582 -0.0550122), wk = 0.0045872 k( 8) = ( 0.1129032 -0.0974845 -0.0641809), wk = 0.0045872 k( 9) = ( 0.1290323 -0.1114109 -0.0733496), wk = 0.0045872 k( 10) = ( 0.1451613 -0.1253372 -0.0825183), wk = 0.0045872 k( 11) = ( 0.1612903 -0.1392636 -0.0916870), wk = 0.0045872 k( 12) = ( 0.1774194 -0.1531900 -0.1008557), wk = 0.0045872 k( 13) = ( 0.1935484 -0.1671163 -0.1100244), wk = 0.0045872 k( 14) = ( 0.2096774 -0.1810427 -0.1191931), wk = 0.0045872 k( 15) = ( 0.2258064 -0.1949690 -0.1283618), wk = 0.0045872 k( 16) = ( 0.2419355 -0.2088954 -0.1375305), wk = 0.0045872 k( 17) = ( 0.2580645 -0.2228218 -0.1466992), wk = 0.0045872 k( 18) = ( 0.2741936 -0.2367481 -0.1558679), wk = 0.0045872 k( 19) = ( 0.2903226 -0.2506745 -0.1650366), wk = 0.0045872 k( 20) = ( 0.3064516 -0.2646008 -0.1742053), wk = 0.0045872 k( 21) = ( 0.3225807 -0.2785272 -0.1833740), wk = 0.0045872 k( 22) = ( 0.3387097 -0.2924536 -0.1925427), wk = 0.0045872 k( 23) = ( 0.3548387 -0.3063799 -0.2017114), wk = 0.0045872 k( 24) = ( 0.3709677 -0.3203063 -0.2108801), wk = 0.0045872 k( 25) = ( 0.3870968 -0.3342326 -0.2200488), wk = 0.0045872 k( 26) = ( 0.4032258 -0.3481590 -0.2292175), wk = 0.0045872 k( 27) = ( 0.4193548 -0.3620854 -0.2383862), wk = 0.0045872 k( 28) = ( 0.4354839 -0.3760117 -0.2475549), wk = 0.0045872 k( 29) = ( 0.4516129 -0.3899381 -0.2567236), wk = 0.0045872 k( 30) = ( 0.4677419 -0.4038645 -0.2658923), wk = 0.0045872 k( 31) = ( 0.4838710 -0.4177908 -0.2750610), wk = 0.0045872 k( 32) = ( 0.5000000 -0.4317172 -0.2842297), wk = 0.0045872 k( 33) = ( 0.5000000 -0.4317172 -0.2842297), wk = 0.0045872 k( 34) = ( 0.5000000 -0.4187020 -0.3039985), wk = 0.0045872 k( 35) = ( 0.5000000 -0.4056868 -0.3237672), wk = 0.0045872 k( 36) = ( 0.5000000 -0.3926717 -0.3435360), wk = 0.0045872 k( 37) = ( 0.5000000 -0.3796565 -0.3633048), wk = 0.0045872 k( 38) = ( 0.5000000 -0.3666413 -0.3830736), wk = 0.0045872 k( 39) = ( 0.5000000 -0.3536261 -0.4028423), wk = 0.0045872 k( 40) = ( 0.5000000 -0.3406110 -0.4226111), wk = 0.0045872 k( 41) = ( 0.5000000 -0.3275958 -0.4423799), wk = 0.0045872 k( 42) = ( 0.5000000 -0.3145806 -0.4621487), wk = 0.0045872 k( 43) = ( 0.5000000 -0.3015655 -0.4819174), wk = 0.0045872 k( 44) = ( 0.5000000 -0.2885503 -0.5016862), wk = 0.0045872 k( 45) = ( 0.5000000 -0.2755351 -0.5214550), wk = 0.0045872 k( 46) = ( 0.5000000 -0.2625200 -0.5412237), wk = 0.0045872 k( 47) = ( 0.5000000 -0.2495048 -0.5609925), wk = 0.0045872 k( 48) = ( 0.5000000 -0.2364896 -0.5807613), wk = 0.0045872 k( 49) = ( 0.5000000 -0.2234745 -0.6005301), wk = 0.0045872 k( 50) = ( 0.5000000 -0.2104593 -0.6202988), wk = 0.0045872 k( 51) = ( 0.5000000 -0.1974441 -0.6400676), wk = 0.0045872 k( 52) = ( 0.5000000 -0.1844289 -0.6598364), wk = 0.0045872 k( 53) = ( 0.5000000 -0.1714138 -0.6796052), wk = 0.0045872 k( 54) = ( 0.5000000 -0.1583986 -0.6993739), wk = 0.0045872 k( 55) = ( 0.5000000 -0.1453834 -0.7191427), wk = 0.0045872 k( 56) = ( 0.7832744 -0.0157156 -0.4177761), wk = 0.0045872 k( 57) = ( 0.7735063 -0.0072815 -0.3981740), wk = 0.0045872 k( 58) = ( 0.7637382 0.0011526 -0.3785720), wk = 0.0045872 k( 59) = ( 0.7539701 0.0095867 -0.3589699), wk = 0.0045872 k( 60) = ( 0.7442020 0.0180208 -0.3393679), wk = 0.0045872 k( 61) = ( 0.7344340 0.0264549 -0.3197658), wk = 0.0045872 k( 62) = ( 0.7246659 0.0348890 -0.3001638), wk = 0.0045872 k( 63) = ( 0.7148978 0.0433231 -0.2805617), wk = 0.0045872 k( 64) = ( 0.7051297 0.0517572 -0.2609597), wk = 0.0045872 k( 65) = ( 0.6953616 0.0601913 -0.2413576), wk = 0.0045872 k( 66) = ( 0.6855936 0.0686254 -0.2217556), wk = 0.0045872 k( 67) = ( 0.6758255 0.0770595 -0.2021535), wk = 0.0045872 k( 68) = ( 0.6660574 0.0854936 -0.1825515), wk = 0.0045872 k( 69) = ( 0.6562893 0.0939277 -0.1629494), wk = 0.0045872 k( 70) = ( 0.6465212 0.1023618 -0.1433474), wk = 0.0045872 k( 71) = ( 0.6367531 0.1107959 -0.1237454), wk = 0.0045872 k( 72) = ( 0.6269851 0.1192300 -0.1041433), wk = 0.0045872 k( 73) = ( 0.6172170 0.1276641 -0.0845412), wk = 0.0045872 k( 74) = ( 0.6074489 0.1360982 -0.0649392), wk = 0.0045872 k( 75) = ( 0.5976808 0.1445323 -0.0453372), wk = 0.0045872 k( 76) = ( 0.5879127 0.1529664 -0.0257351), wk = 0.0045872 k( 77) = ( 0.5781447 0.1614005 -0.0061331), wk = 0.0045872 k( 78) = ( 0.5683766 0.1698346 0.0134690), wk = 0.0045872 k( 79) = ( 0.5586085 0.1782687 0.0330710), wk = 0.0045872 k( 80) = ( 0.5488404 0.1867028 0.0526731), wk = 0.0045872 k( 81) = ( 0.5390723 0.1951369 0.0722751), wk = 0.0045872 k( 82) = ( 0.5293043 0.2035710 0.0918772), wk = 0.0045872 k( 83) = ( 0.5195362 0.2120051 0.1114792), wk = 0.0045872 k( 84) = ( 0.5097681 0.2204392 0.1310813), wk = 0.0045872 k( 85) = ( 0.5000000 0.2288733 0.1506833), wk = 0.0045872 k( 86) = ( 0.5000000 0.2288733 0.1506833), wk = 0.0045872 k( 87) = ( 0.4791667 0.2193369 0.1444048), wk = 0.0045872 k( 88) = ( 0.4583333 0.2098005 0.1381264), wk = 0.0045872 k( 89) = ( 0.4375000 0.2002641 0.1318479), wk = 0.0045872 k( 90) = ( 0.4166667 0.1907277 0.1255694), wk = 0.0045872 k( 91) = ( 0.3958333 0.1811913 0.1192910), wk = 0.0045872 k( 92) = ( 0.3750000 0.1716549 0.1130125), wk = 0.0045872 k( 93) = ( 0.3541667 0.1621186 0.1067340), wk = 0.0045872 k( 94) = ( 0.3333333 0.1525822 0.1004555), wk = 0.0045872 k( 95) = ( 0.3125000 0.1430458 0.0941771), wk = 0.0045872 k( 96) = ( 0.2916667 0.1335094 0.0878986), wk = 0.0045872 k( 97) = ( 0.2708333 0.1239730 0.0816201), wk = 0.0045872 k( 98) = ( 0.2500000 0.1144366 0.0753417), wk = 0.0045872 k( 99) = ( 0.2291667 0.1049002 0.0690632), wk = 0.0045872 k( 100) = ( 0.2083333 0.0953639 0.0627847), wk = 0.0045872 k( 101) = ( 0.1875000 0.0858275 0.0565062), wk = 0.0045872 k( 102) = ( 0.1666667 0.0762911 0.0502278), wk = 0.0045872 k( 103) = ( 0.1458333 0.0667547 0.0439493), wk = 0.0045872 k( 104) = ( 0.1250000 0.0572183 0.0376708), wk = 0.0045872 k( 105) = ( 0.1041667 0.0476819 0.0313924), wk = 0.0045872 k( 106) = ( 0.0833333 0.0381455 0.0251139), wk = 0.0045872 k( 107) = ( 0.0625000 0.0286092 0.0188354), wk = 0.0045872 k( 108) = ( 0.0416667 0.0190728 0.0125569), wk = 0.0045872 k( 109) = ( 0.0208333 0.0095364 0.0062785), wk = 0.0045872 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 112) = ( 0.0099545 -0.0085951 -0.0199762), wk = 0.0045872 k( 113) = ( 0.0199091 -0.0171902 -0.0399524), wk = 0.0045872 k( 114) = ( 0.0298636 -0.0257852 -0.0599286), wk = 0.0045872 k( 115) = ( 0.0398181 -0.0343803 -0.0799047), wk = 0.0045872 k( 116) = ( 0.0497726 -0.0429754 -0.0998809), wk = 0.0045872 k( 117) = ( 0.0597271 -0.0515705 -0.1198571), wk = 0.0045872 k( 118) = ( 0.0696817 -0.0601655 -0.1398333), wk = 0.0045872 k( 119) = ( 0.0796362 -0.0687606 -0.1598095), wk = 0.0045872 k( 120) = ( 0.0895907 -0.0773557 -0.1797857), wk = 0.0045872 k( 121) = ( 0.0995452 -0.0859508 -0.1997619), wk = 0.0045872 k( 122) = ( 0.1094998 -0.0945458 -0.2197381), wk = 0.0045872 k( 123) = ( 0.1194543 -0.1031409 -0.2397142), wk = 0.0045872 k( 124) = ( 0.1294088 -0.1117360 -0.2596904), wk = 0.0045872 k( 125) = ( 0.1393633 -0.1203311 -0.2796666), wk = 0.0045872 k( 126) = ( 0.1493178 -0.1289262 -0.2996428), wk = 0.0045872 k( 127) = ( 0.1592724 -0.1375212 -0.3196190), wk = 0.0045872 k( 128) = ( 0.1692269 -0.1461163 -0.3395952), wk = 0.0045872 k( 129) = ( 0.1791814 -0.1547114 -0.3595714), wk = 0.0045872 k( 130) = ( 0.1891359 -0.1633065 -0.3795475), wk = 0.0045872 k( 131) = ( 0.1990905 -0.1719015 -0.3995237), wk = 0.0045872 k( 132) = ( 0.2090450 -0.1804966 -0.4194999), wk = 0.0045872 k( 133) = ( 0.2189995 -0.1890917 -0.4394761), wk = 0.0045872 k( 134) = ( 0.2289540 -0.1976868 -0.4594523), wk = 0.0045872 k( 135) = ( 0.2389085 -0.2062818 -0.4794285), wk = 0.0045872 k( 136) = ( 0.2488631 -0.2148769 -0.4994047), wk = 0.0045872 k( 137) = ( 0.2588176 -0.2234720 -0.5193809), wk = 0.0045872 k( 138) = ( 0.2687721 -0.2320671 -0.5393570), wk = 0.0045872 k( 139) = ( 0.2787266 -0.2406621 -0.5593332), wk = 0.0045872 k( 140) = ( 0.2886811 -0.2492572 -0.5793094), wk = 0.0045872 k( 141) = ( 0.2986357 -0.2578523 -0.5992856), wk = 0.0045872 k( 142) = ( 0.3085902 -0.2664474 -0.6192618), wk = 0.0045872 k( 143) = ( 0.3185447 -0.2750424 -0.6392380), wk = 0.0045872 k( 144) = ( 0.3284992 -0.2836375 -0.6592141), wk = 0.0045872 k( 145) = ( 0.3384538 -0.2922326 -0.6791903), wk = 0.0045872 k( 146) = ( 0.3484083 -0.3008277 -0.6991665), wk = 0.0045872 k( 147) = ( 0.3583628 -0.3094228 -0.7191427), wk = 0.0045872 k( 148) = ( 0.6416372 -0.0805495 -0.5684594), wk = 0.0045872 k( 149) = ( 0.6321947 -0.0599213 -0.5684594), wk = 0.0045872 k( 150) = ( 0.6227522 -0.0392931 -0.5684594), wk = 0.0045872 k( 151) = ( 0.6133097 -0.0186649 -0.5684594), wk = 0.0045872 k( 152) = ( 0.6038673 0.0019632 -0.5684594), wk = 0.0045872 k( 153) = ( 0.5944248 0.0225914 -0.5684594), wk = 0.0045872 k( 154) = ( 0.5849823 0.0432196 -0.5684594), wk = 0.0045872 k( 155) = ( 0.5755398 0.0638478 -0.5684594), wk = 0.0045872 k( 156) = ( 0.5660974 0.0844760 -0.5684594), wk = 0.0045872 k( 157) = ( 0.5566549 0.1051041 -0.5684594), wk = 0.0045872 k( 158) = ( 0.5472124 0.1257323 -0.5684594), wk = 0.0045872 k( 159) = ( 0.5377699 0.1463605 -0.5684594), wk = 0.0045872 k( 160) = ( 0.5283274 0.1669887 -0.5684594), wk = 0.0045872 k( 161) = ( 0.5188850 0.1876169 -0.5684594), wk = 0.0045872 k( 162) = ( 0.5094425 0.2082451 -0.5684594), wk = 0.0045872 k( 163) = ( 0.5000000 0.2288733 -0.5684594), wk = 0.0045872 k( 164) = ( 0.5000000 0.2288733 -0.5684594), wk = 0.0045872 k( 165) = ( 0.5141637 0.2353567 -0.5533911), wk = 0.0045872 k( 166) = ( 0.5283274 0.2418400 -0.5383227), wk = 0.0045872 k( 167) = ( 0.5424912 0.2483234 -0.5232544), wk = 0.0045872 k( 168) = ( 0.5566549 0.2548068 -0.5081861), wk = 0.0045872 k( 169) = ( 0.5708186 0.2612902 -0.4931177), wk = 0.0045872 k( 170) = ( 0.5849823 0.2677736 -0.4780494), wk = 0.0045872 k( 171) = ( 0.5991460 0.2742570 -0.4629811), wk = 0.0045872 k( 172) = ( 0.6133097 0.2807404 -0.4479127), wk = 0.0045872 k( 173) = ( 0.6274735 0.2872238 -0.4328444), wk = 0.0045872 k( 174) = ( 0.6416372 0.2937072 -0.4177761), wk = 0.0045872 k( 175) = ( 0.6416372 0.2937072 -0.4177761), wk = 0.0045872 k( 176) = ( 0.6359717 0.2911138 -0.3950377), wk = 0.0045872 k( 177) = ( 0.6303062 0.2885205 -0.3722993), wk = 0.0045872 k( 178) = ( 0.6246407 0.2859271 -0.3495609), wk = 0.0045872 k( 179) = ( 0.6189752 0.2833338 -0.3268226), wk = 0.0045872 k( 180) = ( 0.6133097 0.2807404 -0.3040842), wk = 0.0045872 k( 181) = ( 0.6076443 0.2781470 -0.2813458), wk = 0.0045872 k( 182) = ( 0.6019788 0.2755537 -0.2586074), wk = 0.0045872 k( 183) = ( 0.5963133 0.2729603 -0.2358691), wk = 0.0045872 k( 184) = ( 0.5906478 0.2703670 -0.2131307), wk = 0.0045872 k( 185) = ( 0.5849823 0.2677736 -0.1903923), wk = 0.0045872 k( 186) = ( 0.5793168 0.2651803 -0.1676539), wk = 0.0045872 k( 187) = ( 0.5736513 0.2625869 -0.1449156), wk = 0.0045872 k( 188) = ( 0.5679859 0.2599935 -0.1221772), wk = 0.0045872 k( 189) = ( 0.5623204 0.2574002 -0.0994388), wk = 0.0045872 k( 190) = ( 0.5566549 0.2548068 -0.0767004), wk = 0.0045872 k( 191) = ( 0.5509894 0.2522135 -0.0539621), wk = 0.0045872 k( 192) = ( 0.5453239 0.2496201 -0.0312237), wk = 0.0045872 k( 193) = ( 0.5396584 0.2470268 -0.0084853), wk = 0.0045872 k( 194) = ( 0.5339929 0.2444334 0.0142531), wk = 0.0045872 k( 195) = ( 0.5283274 0.2418400 0.0369914), wk = 0.0045872 k( 196) = ( 0.5226620 0.2392467 0.0597298), wk = 0.0045872 k( 197) = ( 0.5169965 0.2366533 0.0824682), wk = 0.0045872 k( 198) = ( 0.5113310 0.2340600 0.1052066), wk = 0.0045872 k( 199) = ( 0.5056655 0.2314666 0.1279449), wk = 0.0045872 k( 200) = ( 0.5000000 0.2288733 0.1506833), wk = 0.0045872 k( 201) = ( 0.5000000 -0.4317172 -0.2842297), wk = 0.0045872 k( 202) = ( 0.5166632 -0.4182540 -0.2753660), wk = 0.0045872 k( 203) = ( 0.5333264 -0.4047909 -0.2665022), wk = 0.0045872 k( 204) = ( 0.5499896 -0.3913278 -0.2576385), wk = 0.0045872 k( 205) = ( 0.5666528 -0.3778646 -0.2487748), wk = 0.0045872 k( 206) = ( 0.5833160 -0.3644015 -0.2399111), wk = 0.0045872 k( 207) = ( 0.5999792 -0.3509384 -0.2310473), wk = 0.0045872 k( 208) = ( 0.6166424 -0.3374752 -0.2221836), wk = 0.0045872 k( 209) = ( 0.6333056 -0.3240121 -0.2133199), wk = 0.0045872 k( 210) = ( 0.6499688 -0.3105490 -0.2044562), wk = 0.0045872 k( 211) = ( 0.6666320 -0.2970858 -0.1955925), wk = 0.0045872 k( 212) = ( 0.6832952 -0.2836227 -0.1867287), wk = 0.0045872 k( 213) = ( 0.6999584 -0.2701596 -0.1778650), wk = 0.0045872 k( 214) = ( 0.7166216 -0.2566964 -0.1690013), wk = 0.0045872 k( 215) = ( 0.7332848 -0.2432333 -0.1601376), wk = 0.0045872 k( 216) = ( 0.7499480 -0.2297702 -0.1512738), wk = 0.0045872 k( 217) = ( 0.7666112 -0.2163070 -0.1424101), wk = 0.0045872 k( 218) = ( 0.7832744 -0.2028439 -0.1335464), wk = 0.0045872 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0045872 k( 3) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0045872 k( 4) = ( 0.0483871 0.0000000 -0.0000000), wk = 0.0045872 k( 5) = ( 0.0645161 0.0000000 0.0000000), wk = 0.0045872 k( 6) = ( 0.0806452 0.0000000 0.0000000), wk = 0.0045872 k( 7) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0045872 k( 8) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0045872 k( 9) = ( 0.1290323 0.0000000 0.0000000), wk = 0.0045872 k( 10) = ( 0.1451613 0.0000000 0.0000000), wk = 0.0045872 k( 11) = ( 0.1612903 0.0000000 0.0000000), wk = 0.0045872 k( 12) = ( 0.1774194 0.0000000 -0.0000000), wk = 0.0045872 k( 13) = ( 0.1935484 0.0000000 0.0000000), wk = 0.0045872 k( 14) = ( 0.2096774 0.0000000 -0.0000000), wk = 0.0045872 k( 15) = ( 0.2258064 0.0000000 -0.0000000), wk = 0.0045872 k( 16) = ( 0.2419355 0.0000000 -0.0000000), wk = 0.0045872 k( 17) = ( 0.2580645 0.0000000 0.0000000), wk = 0.0045872 k( 18) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0045872 k( 19) = ( 0.2903226 0.0000000 0.0000000), wk = 0.0045872 k( 20) = ( 0.3064516 0.0000000 0.0000000), wk = 0.0045872 k( 21) = ( 0.3225807 0.0000000 0.0000000), wk = 0.0045872 k( 22) = ( 0.3387097 0.0000000 0.0000000), wk = 0.0045872 k( 23) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0045872 k( 24) = ( 0.3709677 -0.0000000 0.0000000), wk = 0.0045872 k( 25) = ( 0.3870968 0.0000000 -0.0000000), wk = 0.0045872 k( 26) = ( 0.4032258 0.0000000 0.0000000), wk = 0.0045872 k( 27) = ( 0.4193548 0.0000000 -0.0000000), wk = 0.0045872 k( 28) = ( 0.4354839 0.0000000 0.0000000), wk = 0.0045872 k( 29) = ( 0.4516129 0.0000000 -0.0000000), wk = 0.0045872 k( 30) = ( 0.4677419 0.0000000 -0.0000000), wk = 0.0045872 k( 31) = ( 0.4838710 0.0000000 -0.0000000), wk = 0.0045872 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045872 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045872 k( 34) = ( 0.5000000 0.0098512 -0.0098512), wk = 0.0045872 k( 35) = ( 0.5000000 0.0197023 -0.0197023), wk = 0.0045872 k( 36) = ( 0.5000000 0.0295535 -0.0295535), wk = 0.0045872 k( 37) = ( 0.5000000 0.0394047 -0.0394047), wk = 0.0045872 k( 38) = ( 0.5000000 0.0492558 -0.0492558), wk = 0.0045872 k( 39) = ( 0.5000000 0.0591070 -0.0591070), wk = 0.0045872 k( 40) = ( 0.5000000 0.0689581 -0.0689581), wk = 0.0045872 k( 41) = ( 0.5000000 0.0788093 -0.0788093), wk = 0.0045872 k( 42) = ( 0.5000000 0.0886605 -0.0886605), wk = 0.0045872 k( 43) = ( 0.5000000 0.0985116 -0.0985117), wk = 0.0045872 k( 44) = ( 0.5000000 0.1083628 -0.1083628), wk = 0.0045872 k( 45) = ( 0.5000000 0.1182140 -0.1182140), wk = 0.0045872 k( 46) = ( 0.5000000 0.1280651 -0.1280651), wk = 0.0045872 k( 47) = ( 0.5000000 0.1379163 -0.1379163), wk = 0.0045872 k( 48) = ( 0.5000000 0.1477675 -0.1477675), wk = 0.0045872 k( 49) = ( 0.5000000 0.1576186 -0.1576186), wk = 0.0045872 k( 50) = ( 0.5000000 0.1674698 -0.1674698), wk = 0.0045872 k( 51) = ( 0.5000000 0.1773210 -0.1773210), wk = 0.0045872 k( 52) = ( 0.5000000 0.1871721 -0.1871721), wk = 0.0045872 k( 53) = ( 0.5000000 0.1970233 -0.1970233), wk = 0.0045872 k( 54) = ( 0.5000000 0.2068745 -0.2068745), wk = 0.0045872 k( 55) = ( 0.5000000 0.2167256 -0.2167256), wk = 0.0045872 k( 56) = ( 0.7832744 0.5000000 0.2167256), wk = 0.0045872 k( 57) = ( 0.7735063 0.5000000 0.2264937), wk = 0.0045872 k( 58) = ( 0.7637382 0.5000000 0.2362618), wk = 0.0045872 k( 59) = ( 0.7539701 0.5000000 0.2460299), wk = 0.0045872 k( 60) = ( 0.7442020 0.5000000 0.2557979), wk = 0.0045872 k( 61) = ( 0.7344340 0.5000000 0.2655660), wk = 0.0045872 k( 62) = ( 0.7246659 0.5000000 0.2753341), wk = 0.0045872 k( 63) = ( 0.7148978 0.5000000 0.2851022), wk = 0.0045872 k( 64) = ( 0.7051297 0.5000000 0.2948703), wk = 0.0045872 k( 65) = ( 0.6953616 0.5000000 0.3046384), wk = 0.0045872 k( 66) = ( 0.6855936 0.5000000 0.3144064), wk = 0.0045872 k( 67) = ( 0.6758255 0.5000000 0.3241745), wk = 0.0045872 k( 68) = ( 0.6660574 0.5000000 0.3339426), wk = 0.0045872 k( 69) = ( 0.6562893 0.5000000 0.3437107), wk = 0.0045872 k( 70) = ( 0.6465212 0.5000000 0.3534788), wk = 0.0045872 k( 71) = ( 0.6367531 0.5000000 0.3632468), wk = 0.0045872 k( 72) = ( 0.6269851 0.5000000 0.3730149), wk = 0.0045872 k( 73) = ( 0.6172170 0.5000000 0.3827830), wk = 0.0045872 k( 74) = ( 0.6074489 0.5000000 0.3925511), wk = 0.0045872 k( 75) = ( 0.5976808 0.5000000 0.4023192), wk = 0.0045872 k( 76) = ( 0.5879127 0.5000000 0.4120873), wk = 0.0045872 k( 77) = ( 0.5781447 0.5000000 0.4218553), wk = 0.0045872 k( 78) = ( 0.5683766 0.5000000 0.4316234), wk = 0.0045872 k( 79) = ( 0.5586085 0.5000000 0.4413915), wk = 0.0045872 k( 80) = ( 0.5488404 0.5000000 0.4511596), wk = 0.0045872 k( 81) = ( 0.5390723 0.5000000 0.4609277), wk = 0.0045872 k( 82) = ( 0.5293043 0.5000000 0.4706957), wk = 0.0045872 k( 83) = ( 0.5195362 0.5000000 0.4804638), wk = 0.0045872 k( 84) = ( 0.5097681 0.5000000 0.4902319), wk = 0.0045872 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 86) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 87) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 88) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 89) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 90) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 91) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 92) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 93) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 94) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 95) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 96) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 97) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 98) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 99) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 100) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 101) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 102) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 103) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 104) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 105) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 106) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 107) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 108) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 109) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 112) = ( 0.0099545 0.0000000 -0.0099545), wk = 0.0045872 k( 113) = ( 0.0199091 0.0000000 -0.0199090), wk = 0.0045872 k( 114) = ( 0.0298636 0.0000000 -0.0298636), wk = 0.0045872 k( 115) = ( 0.0398181 -0.0000000 -0.0398181), wk = 0.0045872 k( 116) = ( 0.0497726 0.0000000 -0.0497726), wk = 0.0045872 k( 117) = ( 0.0597271 0.0000000 -0.0597271), wk = 0.0045872 k( 118) = ( 0.0696817 0.0000000 -0.0696817), wk = 0.0045872 k( 119) = ( 0.0796362 -0.0000000 -0.0796362), wk = 0.0045872 k( 120) = ( 0.0895907 0.0000000 -0.0895907), wk = 0.0045872 k( 121) = ( 0.0995452 0.0000000 -0.0995452), wk = 0.0045872 k( 122) = ( 0.1094998 -0.0000000 -0.1094998), wk = 0.0045872 k( 123) = ( 0.1194543 0.0000000 -0.1194543), wk = 0.0045872 k( 124) = ( 0.1294088 0.0000000 -0.1294088), wk = 0.0045872 k( 125) = ( 0.1393633 0.0000000 -0.1393633), wk = 0.0045872 k( 126) = ( 0.1493178 0.0000000 -0.1493178), wk = 0.0045872 k( 127) = ( 0.1592724 -0.0000000 -0.1592724), wk = 0.0045872 k( 128) = ( 0.1692269 0.0000000 -0.1692269), wk = 0.0045872 k( 129) = ( 0.1791814 0.0000000 -0.1791814), wk = 0.0045872 k( 130) = ( 0.1891359 0.0000000 -0.1891359), wk = 0.0045872 k( 131) = ( 0.1990905 0.0000000 -0.1990904), wk = 0.0045872 k( 132) = ( 0.2090450 0.0000000 -0.2090450), wk = 0.0045872 k( 133) = ( 0.2189995 -0.0000000 -0.2189995), wk = 0.0045872 k( 134) = ( 0.2289540 0.0000000 -0.2289540), wk = 0.0045872 k( 135) = ( 0.2389085 0.0000000 -0.2389085), wk = 0.0045872 k( 136) = ( 0.2488631 0.0000000 -0.2488631), wk = 0.0045872 k( 137) = ( 0.2588176 0.0000000 -0.2588176), wk = 0.0045872 k( 138) = ( 0.2687721 0.0000000 -0.2687721), wk = 0.0045872 k( 139) = ( 0.2787266 0.0000000 -0.2787266), wk = 0.0045872 k( 140) = ( 0.2886811 0.0000000 -0.2886811), wk = 0.0045872 k( 141) = ( 0.2986357 0.0000000 -0.2986357), wk = 0.0045872 k( 142) = ( 0.3085902 0.0000000 -0.3085902), wk = 0.0045872 k( 143) = ( 0.3185447 -0.0000000 -0.3185447), wk = 0.0045872 k( 144) = ( 0.3284992 0.0000000 -0.3284992), wk = 0.0045872 k( 145) = ( 0.3384538 -0.0000000 -0.3384538), wk = 0.0045872 k( 146) = ( 0.3484083 -0.0000000 -0.3484083), wk = 0.0045872 k( 147) = ( 0.3583628 0.0000000 -0.3583628), wk = 0.0045872 k( 148) = ( 0.6416372 0.3583628 -0.0000000), wk = 0.0045872 k( 149) = ( 0.6321947 0.3678053 -0.0000000), wk = 0.0045872 k( 150) = ( 0.6227522 0.3772478 0.0000000), wk = 0.0045872 k( 151) = ( 0.6133097 0.3866902 0.0000000), wk = 0.0045872 k( 152) = ( 0.6038673 0.3961327 -0.0000000), wk = 0.0045872 k( 153) = ( 0.5944248 0.4055752 -0.0000000), wk = 0.0045872 k( 154) = ( 0.5849823 0.4150177 -0.0000000), wk = 0.0045872 k( 155) = ( 0.5755398 0.4244602 0.0000000), wk = 0.0045872 k( 156) = ( 0.5660974 0.4339026 -0.0000000), wk = 0.0045872 k( 157) = ( 0.5566549 0.4433451 0.0000000), wk = 0.0045872 k( 158) = ( 0.5472124 0.4527876 -0.0000000), wk = 0.0045872 k( 159) = ( 0.5377699 0.4622301 -0.0000000), wk = 0.0045872 k( 160) = ( 0.5283274 0.4716726 0.0000000), wk = 0.0045872 k( 161) = ( 0.5188850 0.4811150 -0.0000000), wk = 0.0045872 k( 162) = ( 0.5094425 0.4905575 -0.0000000), wk = 0.0045872 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 164) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 165) = ( 0.5141637 0.5141637 0.0216726), wk = 0.0045872 k( 166) = ( 0.5283274 0.5283274 0.0433451), wk = 0.0045872 k( 167) = ( 0.5424912 0.5424912 0.0650177), wk = 0.0045872 k( 168) = ( 0.5566549 0.5566549 0.0866902), wk = 0.0045872 k( 169) = ( 0.5708186 0.5708186 0.1083628), wk = 0.0045872 k( 170) = ( 0.5849823 0.5849823 0.1300354), wk = 0.0045872 k( 171) = ( 0.5991460 0.5991460 0.1517079), wk = 0.0045872 k( 172) = ( 0.6133097 0.6133097 0.1733805), wk = 0.0045872 k( 173) = ( 0.6274735 0.6274735 0.1950531), wk = 0.0045872 k( 174) = ( 0.6416372 0.6416372 0.2167256), wk = 0.0045872 k( 175) = ( 0.6416372 0.6416372 0.2167256), wk = 0.0045872 k( 176) = ( 0.6359717 0.6359717 0.2280566), wk = 0.0045872 k( 177) = ( 0.6303062 0.6303062 0.2393876), wk = 0.0045872 k( 178) = ( 0.6246407 0.6246407 0.2507185), wk = 0.0045872 k( 179) = ( 0.6189752 0.6189752 0.2620495), wk = 0.0045872 k( 180) = ( 0.6133097 0.6133097 0.2733805), wk = 0.0045872 k( 181) = ( 0.6076443 0.6076443 0.2847115), wk = 0.0045872 k( 182) = ( 0.6019788 0.6019788 0.2960424), wk = 0.0045872 k( 183) = ( 0.5963133 0.5963133 0.3073734), wk = 0.0045872 k( 184) = ( 0.5906478 0.5906478 0.3187044), wk = 0.0045872 k( 185) = ( 0.5849823 0.5849823 0.3300354), wk = 0.0045872 k( 186) = ( 0.5793168 0.5793168 0.3413663), wk = 0.0045872 k( 187) = ( 0.5736513 0.5736513 0.3526973), wk = 0.0045872 k( 188) = ( 0.5679859 0.5679858 0.3640283), wk = 0.0045872 k( 189) = ( 0.5623204 0.5623204 0.3753593), wk = 0.0045872 k( 190) = ( 0.5566549 0.5566549 0.3866902), wk = 0.0045872 k( 191) = ( 0.5509894 0.5509894 0.3980212), wk = 0.0045872 k( 192) = ( 0.5453239 0.5453239 0.4093522), wk = 0.0045872 k( 193) = ( 0.5396584 0.5396584 0.4206832), wk = 0.0045872 k( 194) = ( 0.5339929 0.5339929 0.4320141), wk = 0.0045872 k( 195) = ( 0.5283274 0.5283274 0.4433451), wk = 0.0045872 k( 196) = ( 0.5226620 0.5226619 0.4546761), wk = 0.0045872 k( 197) = ( 0.5169965 0.5169965 0.4660071), wk = 0.0045872 k( 198) = ( 0.5113310 0.5113310 0.4773381), wk = 0.0045872 k( 199) = ( 0.5056655 0.5056655 0.4886690), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 201) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0045872 k( 202) = ( 0.5166632 0.0210802 0.0210802), wk = 0.0045872 k( 203) = ( 0.5333264 0.0421603 0.0421603), wk = 0.0045872 k( 204) = ( 0.5499896 0.0632405 0.0632405), wk = 0.0045872 k( 205) = ( 0.5666528 0.0843207 0.0843207), wk = 0.0045872 k( 206) = ( 0.5833160 0.1054008 0.1054008), wk = 0.0045872 k( 207) = ( 0.5999792 0.1264810 0.1264810), wk = 0.0045872 k( 208) = ( 0.6166424 0.1475612 0.1475612), wk = 0.0045872 k( 209) = ( 0.6333056 0.1686413 0.1686413), wk = 0.0045872 k( 210) = ( 0.6499688 0.1897215 0.1897215), wk = 0.0045872 k( 211) = ( 0.6666320 0.2108017 0.2108016), wk = 0.0045872 k( 212) = ( 0.6832952 0.2318818 0.2318818), wk = 0.0045872 k( 213) = ( 0.6999584 0.2529620 0.2529620), wk = 0.0045872 k( 214) = ( 0.7166216 0.2740421 0.2740421), wk = 0.0045872 k( 215) = ( 0.7332848 0.2951223 0.2951223), wk = 0.0045872 k( 216) = ( 0.7499480 0.3162025 0.3162025), wk = 0.0045872 k( 217) = ( 0.7666112 0.3372827 0.3372826), wk = 0.0045872 k( 218) = ( 0.7832744 0.3583628 0.3583628), wk = 0.0045872 Dense grid: 93793 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 63917 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 354, 74) NL pseudopotentials 0.48 Mb ( 177, 178) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1956) G-vector shells 0.01 Mb ( 1678) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.60 Mb ( 354, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.40 Mb ( 178, 2, 74) The potential is recalculated from file : ./FePSe3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 53.5 secs Computing kpt #: 3 total cpu time spent up to now is 59.9 secs Computing kpt #: 4 total cpu time spent up to now is 66.3 secs Computing kpt #: 5 total cpu time spent up to now is 72.6 secs Computing kpt #: 6 total cpu time spent up to now is 78.9 secs Computing kpt #: 7 total cpu time spent up to now is 85.5 secs Computing kpt #: 8 total cpu time spent up to now is 92.2 secs Computing kpt #: 9 total cpu time spent up to now is 98.8 secs Computing kpt #: 10 total cpu time spent up to now is 105.4 secs Computing kpt #: 11 total cpu time spent up to now is 112.3 secs Computing kpt #: 12 total cpu time spent up to now is 119.0 secs Computing kpt #: 13 total cpu time spent up to now is 125.7 secs Computing kpt #: 14 total cpu time spent up to now is 132.4 secs Computing kpt #: 15 total cpu time spent up to now is 138.9 secs Computing kpt #: 16 total cpu time spent up to now is 145.7 secs Computing kpt #: 17 total cpu time spent up to now is 152.4 secs Computing kpt #: 18 total cpu time spent up to now is 159.2 secs Computing kpt #: 19 total cpu time spent up to now is 168.6 secs Computing kpt #: 20 total cpu time spent up to now is 175.4 secs Computing kpt #: 21 total cpu time spent up to now is 182.4 secs Computing kpt #: 22 total cpu time spent up to now is 189.4 secs Computing kpt #: 23 total cpu time spent up to now is 196.3 secs Computing kpt #: 24 total cpu time spent up to now is 203.7 secs Computing kpt #: 25 total cpu time spent up to now is 210.5 secs Computing kpt #: 26 total cpu time spent up to now is 217.4 secs Computing kpt #: 27 total cpu time spent up to now is 224.7 secs Computing kpt #: 28 total cpu time spent up to now is 231.6 secs Computing kpt #: 29 total cpu time spent up to now is 238.4 secs Computing kpt #: 30 total cpu time spent up to now is 245.3 secs Computing kpt #: 31 total cpu time spent up to now is 252.7 secs Computing kpt #: 32 total cpu time spent up to now is 260.1 secs Computing kpt #: 33 total cpu time spent up to now is 267.4 secs Computing kpt #: 34 total cpu time spent up to now is 274.3 secs Computing kpt #: 35 total cpu time spent up to now is 281.1 secs Computing kpt #: 36 total cpu time spent up to now is 287.9 secs Computing kpt #: 37 total cpu time spent up to now is 294.8 secs Computing kpt #: 38 total cpu time spent up to now is 301.6 secs Computing kpt #: 39 total cpu time spent up to now is 308.2 secs Computing kpt #: 40 total cpu time spent up to now is 315.0 secs Computing kpt #: 41 total cpu time spent up to now is 321.8 secs Computing kpt #: 42 total cpu time spent up to now is 328.7 secs Computing kpt #: 43 total cpu time spent up to now is 335.6 secs Computing kpt #: 44 total cpu time spent up to now is 342.4 secs Computing kpt #: 45 total cpu time spent up to now is 349.2 secs Computing kpt #: 46 total cpu time spent up to now is 356.1 secs Computing kpt #: 47 total cpu time spent up to now is 362.8 secs Computing kpt #: 48 total cpu time spent up to now is 369.5 secs Computing kpt #: 49 total cpu time spent up to now is 376.2 secs Computing kpt #: 50 total cpu time spent up to now is 382.9 secs Computing kpt #: 51 total cpu time spent up to now is 389.7 secs Computing kpt #: 52 total cpu time spent up to now is 396.5 secs Computing kpt #: 53 total cpu time spent up to now is 403.2 secs Computing kpt #: 54 total cpu time spent up to now is 409.9 secs Computing kpt #: 55 total cpu time spent up to now is 416.6 secs Computing kpt #: 56 total cpu time spent up to now is 423.1 secs Computing kpt #: 57 total cpu time spent up to now is 429.6 secs Computing kpt #: 58 total cpu time spent up to now is 436.1 secs Computing kpt #: 59 total cpu time spent up to now is 442.6 secs Computing kpt #: 60 total cpu time spent up to now is 449.2 secs Computing kpt #: 61 total cpu time spent up to now is 455.7 secs Computing kpt #: 62 total cpu time spent up to now is 463.5 secs Computing kpt #: 63 total cpu time spent up to now is 470.1 secs Computing kpt #: 64 total cpu time spent up to now is 476.6 secs Computing kpt #: 65 total cpu time spent up to now is 483.2 secs Computing kpt #: 66 total cpu time spent up to now is 489.7 secs Computing kpt #: 67 total cpu time spent up to now is 496.1 secs Computing kpt #: 68 total cpu time spent up to now is 502.5 secs Computing kpt #: 69 total cpu time spent up to now is 509.3 secs Computing kpt #: 70 total cpu time spent up to now is 515.7 secs Computing kpt #: 71 total cpu time spent up to now is 522.2 secs Computing kpt #: 72 total cpu time spent up to now is 528.8 secs Computing kpt #: 73 total cpu time spent up to now is 535.4 secs Computing kpt #: 74 total cpu time spent up to now is 542.0 secs Computing kpt #: 75 total cpu time spent up to now is 548.6 secs Computing kpt #: 76 total cpu time spent up to now is 555.2 secs Computing kpt #: 77 total cpu time spent up to now is 561.7 secs Computing kpt #: 78 total cpu time spent up to now is 568.1 secs Computing kpt #: 79 total cpu time spent up to now is 574.6 secs Computing kpt #: 80 total cpu time spent up to now is 580.9 secs Computing kpt #: 81 total cpu time spent up to now is 587.3 secs Computing kpt #: 82 total cpu time spent up to now is 593.7 secs Computing kpt #: 83 total cpu time spent up to now is 600.0 secs Computing kpt #: 84 total cpu time spent up to now is 606.3 secs Computing kpt #: 85 total cpu time spent up to now is 612.5 secs Computing kpt #: 86 total cpu time spent up to now is 618.8 secs Computing kpt #: 87 total cpu time spent up to now is 625.0 secs Computing kpt #: 88 total cpu time spent up to now is 631.1 secs Computing kpt #: 89 total cpu time spent up to now is 637.3 secs Computing kpt #: 90 total cpu time spent up to now is 643.4 secs Computing kpt #: 91 total cpu time spent up to now is 649.7 secs Computing kpt #: 92 total cpu time spent up to now is 656.0 secs Computing kpt #: 93 total cpu time spent up to now is 662.5 secs Computing kpt #: 94 total cpu time spent up to now is 668.8 secs Computing kpt #: 95 total cpu time spent up to now is 675.2 secs Computing kpt #: 96 total cpu time spent up to now is 681.5 secs Computing kpt #: 97 total cpu time spent up to now is 687.9 secs Computing kpt #: 98 total cpu time spent up to now is 694.1 secs Computing kpt #: 99 total cpu time spent up to now is 700.4 secs Computing kpt #: 100 total cpu time spent up to now is 706.6 secs Computing kpt #: 101 total cpu time spent up to now is 712.9 secs Computing kpt #: 102 total cpu time spent up to now is 719.0 secs Computing kpt #: 103 total cpu time spent up to now is 725.2 secs Computing kpt #: 104 total cpu time spent up to now is 731.7 secs Computing kpt #: 105 total cpu time spent up to now is 738.0 secs Computing kpt #: 106 total cpu time spent up to now is 744.2 secs Computing kpt #: 107 total cpu time spent up to now is 750.5 secs Computing kpt #: 108 total cpu time spent up to now is 756.7 secs Computing kpt #: 109 total cpu time spent up to now is 763.9 secs Computing kpt #: 110 total cpu time spent up to now is 770.0 secs Computing kpt #: 111 total cpu time spent up to now is 776.1 secs Computing kpt #: 112 total cpu time spent up to now is 782.3 secs Computing kpt #: 113 total cpu time spent up to now is 788.5 secs Computing kpt #: 114 total cpu time spent up to now is 794.9 secs Computing kpt #: 115 total cpu time spent up to now is 801.3 secs Computing kpt #: 116 total cpu time spent up to now is 807.7 secs Computing kpt #: 117 total cpu time spent up to now is 814.1 secs Computing kpt #: 118 total cpu time spent up to now is 820.7 secs Computing kpt #: 119 total cpu time spent up to now is 827.3 secs Computing kpt #: 120 total cpu time spent up to now is 833.9 secs Computing kpt #: 121 total cpu time spent up to now is 840.7 secs Computing kpt #: 122 total cpu time spent up to now is 847.5 secs Computing kpt #: 123 total cpu time spent up to now is 854.3 secs Computing kpt #: 124 total cpu time spent up to now is 861.1 secs Computing kpt #: 125 total cpu time spent up to now is 867.9 secs Computing kpt #: 126 total cpu time spent up to now is 874.7 secs Computing kpt #: 127 total cpu time spent up to now is 881.4 secs Computing kpt #: 128 total cpu time spent up to now is 888.2 secs Computing kpt #: 129 total cpu time spent up to now is 895.0 secs Computing kpt #: 130 total cpu time spent up to now is 901.9 secs Computing kpt #: 131 total cpu time spent up to now is 908.7 secs Computing kpt #: 132 total cpu time spent up to now is 915.5 secs Computing kpt #: 133 total cpu time spent up to now is 922.4 secs Computing kpt #: 134 total cpu time spent up to now is 929.2 secs Computing kpt #: 135 total cpu time spent up to now is 935.9 secs Computing kpt #: 136 total cpu time spent up to now is 942.8 secs Computing kpt #: 137 total cpu time spent up to now is 949.6 secs Computing kpt #: 138 total cpu time spent up to now is 956.5 secs Computing kpt #: 139 total cpu time spent up to now is 963.5 secs Computing kpt #: 140 total cpu time spent up to now is 970.4 secs Computing kpt #: 141 total cpu time spent up to now is 977.3 secs Computing kpt #: 142 total cpu time spent up to now is 984.2 secs Computing kpt #: 143 total cpu time spent up to now is 990.9 secs Computing kpt #: 144 total cpu time spent up to now is 997.6 secs Computing kpt #: 145 total cpu time spent up to now is 1004.2 secs Computing kpt #: 146 total cpu time spent up to now is 1011.0 secs Computing kpt #: 147 total cpu time spent up to now is 1017.6 secs Computing kpt #: 148 total cpu time spent up to now is 1024.2 secs Computing kpt #: 149 total cpu time spent up to now is 1030.6 secs Computing kpt #: 150 total cpu time spent up to now is 1037.2 secs Computing kpt #: 151 total cpu time spent up to now is 1043.8 secs Computing kpt #: 152 total cpu time spent up to now is 1050.6 secs Computing kpt #: 153 total cpu time spent up to now is 1057.4 secs Computing kpt #: 154 total cpu time spent up to now is 1067.2 secs Computing kpt #: 155 total cpu time spent up to now is 1074.0 secs Computing kpt #: 156 total cpu time spent up to now is 1080.8 secs Computing kpt #: 157 total cpu time spent up to now is 1087.7 secs Computing kpt #: 158 total cpu time spent up to now is 1095.5 secs Computing kpt #: 159 total cpu time spent up to now is 1102.8 secs Computing kpt #: 160 total cpu time spent up to now is 1110.5 secs Computing kpt #: 161 total cpu time spent up to now is 1118.3 secs Computing kpt #: 162 total cpu time spent up to now is 1126.6 secs Computing kpt #: 163 total cpu time spent up to now is 1134.6 secs Computing kpt #: 164 total cpu time spent up to now is 1142.7 secs Computing kpt #: 165 total cpu time spent up to now is 1150.4 secs Computing kpt #: 166 total cpu time spent up to now is 1158.2 secs Computing kpt #: 167 total cpu time spent up to now is 1166.1 secs Computing kpt #: 168 total cpu time spent up to now is 1173.4 secs Computing kpt #: 169 total cpu time spent up to now is 1180.9 secs Computing kpt #: 170 total cpu time spent up to now is 1189.1 secs Computing kpt #: 171 total cpu time spent up to now is 1197.1 secs Computing kpt #: 172 total cpu time spent up to now is 1204.4 secs Computing kpt #: 173 total cpu time spent up to now is 1212.4 secs Computing kpt #: 174 total cpu time spent up to now is 1219.7 secs Computing kpt #: 175 total cpu time spent up to now is 1228.2 secs Computing kpt #: 176 total cpu time spent up to now is 1235.5 secs Computing kpt #: 177 total cpu time spent up to now is 1242.8 secs Computing kpt #: 178 total cpu time spent up to now is 1250.1 secs Computing kpt #: 179 total cpu time spent up to now is 1257.4 secs Computing kpt #: 180 total cpu time spent up to now is 1264.5 secs Computing kpt #: 181 total cpu time spent up to now is 1272.2 secs Computing kpt #: 182 total cpu time spent up to now is 1279.0 secs Computing kpt #: 183 total cpu time spent up to now is 1285.8 secs Computing kpt #: 184 total cpu time spent up to now is 1292.4 secs Computing kpt #: 185 total cpu time spent up to now is 1299.1 secs Computing kpt #: 186 total cpu time spent up to now is 1305.7 secs Computing kpt #: 187 total cpu time spent up to now is 1312.3 secs Computing kpt #: 188 total cpu time spent up to now is 1318.8 secs Computing kpt #: 189 total cpu time spent up to now is 1325.4 secs Computing kpt #: 190 total cpu time spent up to now is 1332.0 secs Computing kpt #: 191 total cpu time spent up to now is 1338.4 secs Computing kpt #: 192 total cpu time spent up to now is 1345.0 secs Computing kpt #: 193 total cpu time spent up to now is 1351.5 secs Computing kpt #: 194 total cpu time spent up to now is 1358.5 secs Computing kpt #: 195 total cpu time spent up to now is 1366.0 secs Computing kpt #: 196 total cpu time spent up to now is 1372.4 secs Computing kpt #: 197 total cpu time spent up to now is 1378.8 secs Computing kpt #: 198 total cpu time spent up to now is 1385.0 secs Computing kpt #: 199 total cpu time spent up to now is 1391.2 secs Computing kpt #: 200 total cpu time spent up to now is 1397.4 secs Computing kpt #: 201 total cpu time spent up to now is 1404.7 secs Computing kpt #: 202 total cpu time spent up to now is 1411.6 secs Computing kpt #: 203 total cpu time spent up to now is 1418.5 secs Computing kpt #: 204 total cpu time spent up to now is 1425.4 secs Computing kpt #: 205 total cpu time spent up to now is 1432.3 secs Computing kpt #: 206 total cpu time spent up to now is 1439.2 secs Computing kpt #: 207 total cpu time spent up to now is 1446.1 secs Computing kpt #: 208 total cpu time spent up to now is 1453.1 secs Computing kpt #: 209 total cpu time spent up to now is 1460.5 secs Computing kpt #: 210 total cpu time spent up to now is 1467.9 secs Computing kpt #: 211 total cpu time spent up to now is 1475.4 secs Computing kpt #: 212 total cpu time spent up to now is 1482.7 secs Computing kpt #: 213 total cpu time spent up to now is 1490.7 secs Computing kpt #: 214 total cpu time spent up to now is 1498.0 secs Computing kpt #: 215 total cpu time spent up to now is 1505.3 secs Computing kpt #: 216 total cpu time spent up to now is 1512.7 secs Computing kpt #: 217 total cpu time spent up to now is 1520.3 secs Computing kpt #: 218 total cpu time spent up to now is 1527.5 secs ethr = 1.61E-11, avg # of iterations = 38.9 total cpu time spent up to now is 1527.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7965 PWs) bands (ev): -9.7569 -9.7569 -8.4479 -8.4479 -6.9490 -6.9490 -6.9461 -6.9461 -6.7684 -6.7684 -6.7653 -6.7653 -4.8661 -4.8661 -2.7591 -2.7591 -0.2296 -0.2296 0.1582 0.1582 0.2295 0.2295 0.7948 0.7948 0.8981 0.8981 1.9436 1.9436 2.8481 2.8481 3.0081 3.0081 3.6742 3.6742 3.6872 3.6872 3.8298 3.8298 3.8508 3.8508 4.1163 4.1163 4.2265 4.2265 4.5154 4.5154 5.0142 5.0142 5.1749 5.1749 5.9426 5.9426 6.0655 6.0655 6.0995 6.0995 6.3268 6.3268 6.3658 6.3658 6.4208 6.4208 7.2750 7.2750 7.2850 7.2850 7.4936 7.4936 7.5344 7.5344 7.5835 7.5835 8.1638 8.1638 k = 0.0161-0.0139-0.0092 ( 7962 PWs) bands (ev): -9.7564 -9.7564 -8.4474 -8.4474 -6.9502 -6.9498 -6.9471 -6.9467 -6.7693 -6.7688 -6.7663 -6.7658 -4.8643 -4.8643 -2.7585 -2.7585 -0.2290 -0.2289 0.1581 0.1602 0.2293 0.2315 0.7938 0.7956 0.8971 0.8991 1.9481 1.9487 2.8463 2.8482 3.0075 3.0098 3.6710 3.6747 3.6842 3.6886 3.8269 3.8330 3.8478 3.8542 4.1140 4.1160 4.2244 4.2250 4.5137 4.5184 5.0063 5.0108 5.1672 5.1686 5.9430 5.9456 6.0655 6.0659 6.0992 6.1004 6.3263 6.3275 6.3660 6.3666 6.4205 6.4214 7.2737 7.2753 7.2832 7.2865 7.4696 7.5039 7.5140 7.5511 7.5916 7.5962 8.1642 8.1718 k = 0.0323-0.0279-0.0183 ( 7965 PWs) bands (ev): -9.7549 -9.7549 -8.4462 -8.4462 -6.9541 -6.9538 -6.9486 -6.9483 -6.7718 -6.7710 -6.7681 -6.7673 -4.8591 -4.8590 -2.7567 -2.7567 -0.2270 -0.2269 0.1595 0.1637 0.2310 0.2354 0.7923 0.7957 0.8967 0.9006 1.9621 1.9632 2.8427 2.8462 3.0081 3.0128 3.6648 3.6721 3.6803 3.6885 3.8240 3.8365 3.8453 3.8583 4.1091 4.1129 4.2190 4.2203 4.5129 4.5230 4.9857 4.9956 5.1474 5.1501 5.9466 5.9516 6.0659 6.0668 6.0996 6.1018 6.3262 6.3286 6.3671 6.3681 6.4206 6.4222 7.2717 7.2737 7.2812 7.2874 7.4428 7.4713 7.5277 7.5539 7.6115 7.6288 8.1727 8.1876 k = 0.0484-0.0418-0.0275 ( 7969 PWs) bands (ev): -9.7524 -9.7523 -8.4441 -8.4441 -6.9613 -6.9611 -6.9503 -6.9502 -6.7761 -6.7754 -6.7704 -6.7697 -4.8505 -4.8504 -2.7538 -2.7537 -0.2237 -0.2235 0.1621 0.1682 0.2352 0.2416 0.7891 0.7939 0.8988 0.9041 1.9849 1.9865 2.8368 2.8414 3.0104 3.0178 3.6550 3.6653 3.6761 3.6869 3.8210 3.8399 3.8440 3.8633 4.1014 4.1067 4.2111 4.2133 4.5123 4.5286 4.9504 4.9671 5.1199 5.1241 5.9524 5.9594 6.0664 6.0680 6.1002 6.1036 6.3263 6.3299 6.3689 6.3706 6.4210 6.4233 7.2683 7.2702 7.2788 7.2872 7.4146 7.4390 7.5350 7.5547 7.6412 7.6686 8.1887 8.2104 k = 0.0645-0.0557-0.0367 ( 7963 PWs) bands (ev): -9.7488 -9.7488 -8.4412 -8.4412 -6.9716 -6.9714 -6.9526 -6.9526 -6.7822 -6.7816 -6.7733 -6.7727 -4.8386 -4.8385 -2.7498 -2.7497 -0.2190 -0.2188 0.1652 0.1729 0.2425 0.2507 0.7831 0.7886 0.9054 0.9115 2.0159 2.0181 2.8280 2.8331 3.0152 3.0257 3.6407 3.6545 3.6713 3.6841 3.8180 3.8398 3.8475 3.8692 4.0907 4.0970 4.2015 4.2051 4.5103 4.5349 4.8991 4.9246 5.0898 5.0952 5.9592 5.9677 6.0667 6.0693 6.1009 6.1055 6.3268 6.3314 6.3713 6.3738 6.4219 6.4249 7.2613 7.2651 7.2751 7.2852 7.3875 7.4096 7.5380 7.5553 7.6779 7.7120 8.2114 8.2390 k = 0.0806-0.0696-0.0458 ( 7955 PWs) bands (ev): -9.7444 -9.7443 -8.4375 -8.4375 -6.9847 -6.9845 -6.9555 -6.9554 -6.7900 -6.7895 -6.7769 -6.7765 -4.8236 -4.8235 -2.7446 -2.7445 -0.2129 -0.2126 0.1682 0.1770 0.2535 0.2629 0.7739 0.7794 0.9177 0.9240 2.0541 2.0568 2.8157 2.8209 3.0230 3.0371 3.6220 3.6396 3.6652 3.6797 3.8149 3.8383 3.8537 3.8762 4.0768 4.0835 4.1914 4.1968 4.5045 4.5406 4.8338 4.8708 5.0599 5.0661 5.9661 5.9757 6.0667 6.0705 6.1012 6.1070 6.3275 6.3330 6.3744 6.3777 6.4235 6.4270 7.2488 7.2550 7.2702 7.2803 7.3658 7.3856 7.5392 7.5554 7.7188 7.7569 8.2395 8.2720 k = 0.0968-0.0836-0.0550 ( 7970 PWs) bands (ev): -9.7390 -9.7389 -8.4330 -8.4330 -7.0007 -7.0004 -6.9589 -6.9587 -6.7991 -6.7987 -6.7812 -6.7809 -4.8059 -4.8057 -2.7384 -2.7382 -0.2054 -0.2050 0.1709 0.1801 0.2683 0.2783 0.7620 0.7672 0.9358 0.9418 2.0985 2.1018 2.7998 2.8046 3.0338 3.0523 3.5988 3.6206 3.6577 3.6734 3.8119 3.8366 3.8607 3.8838 4.0602 4.0669 4.1816 4.1892 4.4908 4.5432 4.7597 4.8125 5.0303 5.0370 5.9725 5.9830 6.0660 6.0712 6.1006 6.1077 6.3285 6.3346 6.3777 6.3820 6.4259 6.4297 7.2286 7.2358 7.2648 7.2730 7.3531 7.3694 7.5396 7.5549 7.7611 7.8016 8.2717 8.3080 k = 0.1129-0.0975-0.0642 ( 7973 PWs) bands (ev): -9.7327 -9.7326 -8.4277 -8.4277 -7.0192 -7.0189 -6.9628 -6.9625 -6.8096 -6.8092 -6.7861 -6.7860 -4.7855 -4.7853 -2.7311 -2.7310 -0.1963 -0.1959 0.1731 0.1824 0.2864 0.2967 0.7487 0.7533 0.9592 0.9646 2.1482 2.1520 2.7803 2.7847 3.0474 3.0711 3.5712 3.5973 3.6484 3.6653 3.8087 3.8347 3.8678 3.8915 4.0417 4.0484 4.1725 4.1825 4.4632 4.5354 4.6875 4.7591 5.0007 5.0075 5.9782 5.9894 6.0645 6.0714 6.0988 6.1073 6.3296 6.3361 6.3814 6.3867 6.4290 6.4334 7.2014 7.2082 7.2581 7.2645 7.3483 7.3609 7.5398 7.5543 7.8026 7.8444 8.3066 8.3453 k = 0.1290-0.1114-0.0733 ( 7978 PWs) bands (ev): -9.7255 -9.7254 -8.4218 -8.4217 -7.0401 -7.0398 -6.9672 -6.9668 -6.8211 -6.8207 -6.7917 -6.7916 -4.7629 -4.7627 -2.7229 -2.7227 -0.1858 -0.1853 0.1751 0.1841 0.3071 0.3175 0.7352 0.7391 0.9870 0.9920 2.2020 2.2066 2.7575 2.7616 3.0633 3.0930 3.5396 3.5698 3.6375 3.6553 3.8049 3.8320 3.8740 3.8983 4.0225 4.0299 4.1641 4.1766 4.4167 4.4987 4.6386 4.7188 4.9707 4.9777 5.9831 5.9951 6.0618 6.0705 6.0958 6.1056 6.3308 6.3373 6.3853 6.3914 6.4330 6.4381 7.1698 7.1761 7.2493 7.2546 7.3484 7.3578 7.5402 7.5538 7.8414 7.8839 8.3423 8.3820 k = 0.1452-0.1253-0.0825 ( 7978 PWs) bands (ev): -9.7175 -9.7175 -8.4151 -8.4151 -7.0632 -7.0629 -6.9719 -6.9714 -6.8336 -6.8332 -6.7979 -6.7978 -4.7383 -4.7381 -2.7138 -2.7136 -0.1738 -0.1733 0.1769 0.1856 0.3295 0.3400 0.7227 0.7260 1.0188 1.0234 2.2590 2.2646 2.7321 2.7362 3.0805 3.1174 3.5041 3.5382 3.6248 3.6438 3.7992 3.8282 3.8779 3.9030 4.0041 4.0134 4.1563 4.1710 4.3531 4.4274 4.6217 4.6930 4.9407 4.9478 5.9870 6.0000 6.0574 6.0680 6.0923 6.1029 6.3318 6.3381 6.3895 6.3963 6.4377 6.4435 7.1366 7.1427 7.2381 7.2429 7.3509 7.3582 7.5409 7.5539 7.8760 7.9190 8.3768 8.4158 k = 0.1613-0.1393-0.0917 ( 7982 PWs) bands (ev): -9.7088 -9.7087 -8.4077 -8.4077 -7.0882 -7.0879 -6.9769 -6.9763 -6.8468 -6.8465 -6.8046 -6.8045 -4.7121 -4.7118 -2.7039 -2.7037 -0.1604 -0.1599 0.1790 0.1872 0.3527 0.3634 0.7124 0.7150 1.0542 1.0584 2.3180 2.3250 2.7045 2.7092 3.0981 3.1432 3.4652 3.5029 3.6104 3.6313 3.7901 3.8224 3.8771 3.9041 3.9876 4.0002 4.1489 4.1649 4.2817 4.3438 4.6176 4.6768 4.9117 4.9188 5.9898 6.0045 6.0508 6.0633 6.0888 6.0995 6.3327 6.3386 6.3940 6.4012 6.4431 6.4497 7.1037 7.1098 7.2240 7.2291 7.3547 7.3604 7.5422 7.5545 7.9057 7.9493 8.4082 8.4451 k = 0.1774-0.1532-0.1009 ( 7981 PWs) bands (ev): -9.6994 -9.6993 -8.3998 -8.3997 -7.1149 -7.1145 -6.9821 -6.9815 -6.8608 -6.8605 -6.8118 -6.8116 -4.6845 -4.6843 -2.6932 -2.6930 -0.1457 -0.1452 0.1814 0.1892 0.3758 0.3870 0.7051 0.7074 1.0926 1.0965 2.3775 2.3867 2.6756 2.6815 3.1148 3.1695 3.4234 3.4647 3.5942 3.6186 3.7755 3.8141 3.8680 3.9009 3.9739 3.9894 4.1398 4.1556 4.2177 4.2640 4.6151 4.6640 4.8851 4.8922 5.9911 6.0086 6.0415 6.0563 6.0860 6.0960 6.3331 6.3386 6.3987 6.4063 6.4490 6.4563 7.0724 7.0785 7.2072 7.2132 7.3591 7.3638 7.5440 7.5558 7.9301 7.9747 8.4352 8.4690 k = 0.1935-0.1671-0.1100 ( 7981 PWs) bands (ev): -9.6893 -9.6893 -8.3912 -8.3912 -7.1429 -7.1426 -6.9875 -6.9869 -6.8753 -6.8750 -6.8194 -6.8191 -4.6559 -4.6556 -2.6820 -2.6817 -0.1299 -0.1293 0.1843 0.1918 0.3980 0.4097 0.7016 0.7041 1.1336 1.1374 2.4351 2.4484 2.6463 2.6552 3.1288 3.1945 3.3798 3.4248 3.5763 3.6060 3.7531 3.8014 3.8455 3.8931 3.9617 3.9795 4.1180 4.1416 4.1822 4.2018 4.6093 4.6499 4.8624 4.8698 5.9900 6.0122 6.0294 6.0480 6.0836 6.0927 6.3331 6.3382 6.4036 6.4116 6.4550 6.4630 7.0433 7.0494 7.1882 7.1953 7.3637 7.3677 7.5460 7.5575 7.9495 7.9954 8.4575 8.4878 k = 0.2097-0.1810-0.1192 ( 7988 PWs) bands (ev): -9.6788 -9.6787 -8.3822 -8.3822 -7.1720 -7.1717 -6.9931 -6.9925 -6.8902 -6.8899 -6.8273 -6.8269 -4.6266 -4.6263 -2.6702 -2.6699 -0.1130 -0.1125 0.1879 0.1951 0.4186 0.4309 0.7027 0.7058 1.1769 1.1805 2.4855 2.5062 2.6197 2.6351 3.1380 3.2149 3.3369 3.3851 3.5560 3.5931 3.7208 3.7758 3.8143 3.8786 3.9499 3.9713 4.0892 4.1243 4.1620 4.1801 4.5979 4.6314 4.8453 4.8536 5.9852 6.0123 6.0175 6.0401 6.0813 6.0897 6.3326 6.3374 6.4087 6.4171 6.4609 6.4697 7.0169 7.0230 7.1673 7.1757 7.3684 7.3721 7.5482 7.5595 7.9643 8.0118 8.4754 8.5022 k = 0.2258-0.1950-0.1284 ( 7982 PWs) bands (ev): -9.6677 -9.6677 -8.3727 -8.3727 -7.2019 -7.2016 -6.9987 -6.9980 -6.9054 -6.9051 -6.8354 -6.8350 -4.5969 -4.5966 -2.6580 -2.6578 -0.0954 -0.0948 0.1923 0.1991 0.4373 0.4501 0.7088 0.7128 1.2220 1.2256 2.5138 2.5417 2.6139 2.6351 3.1400 3.2212 3.3022 3.3488 3.5313 3.5767 3.6783 3.7274 3.7934 3.8558 3.9419 3.9664 4.0718 4.1044 4.1572 4.1784 4.5796 4.6075 4.8342 4.8441 5.9752 5.9958 6.0193 6.0344 6.0788 6.0872 6.3316 6.3364 6.4139 6.4229 6.4666 6.4762 6.9933 6.9994 7.1453 7.1552 7.3731 7.3767 7.5501 7.5614 7.9750 8.0241 8.4898 8.5132 k = 0.2419-0.2089-0.1375 ( 7987 PWs) bands (ev): -9.6564 -9.6563 -8.3629 -8.3628 -7.2323 -7.2320 -7.0043 -7.0036 -6.9208 -6.9206 -6.8436 -6.8432 -4.5672 -4.5668 -2.6456 -2.6453 -0.0773 -0.0766 0.1975 0.2041 0.4540 0.4674 0.7198 0.7248 1.2684 1.2719 2.5086 2.5286 2.6542 2.6655 3.1321 3.1989 3.2858 3.3220 3.4971 3.5475 3.6321 3.6824 3.7781 3.8301 3.9392 3.9640 4.0637 4.0921 4.1610 4.1818 4.5550 4.5791 4.8291 4.8404 5.9598 5.9756 6.0216 6.0314 6.0760 6.0852 6.3301 6.3351 6.4191 6.4287 6.4719 6.4822 6.9726 6.9786 7.1230 7.1344 7.3777 7.3813 7.5516 7.5629 7.9824 8.0329 8.5011 8.5217 k = 0.2581-0.2228-0.1467 ( 7991 PWs) bands (ev): -9.6447 -9.6447 -8.3527 -8.3526 -7.2628 -7.2625 -7.0098 -7.0091 -6.9363 -6.9360 -6.8519 -6.8515 -4.5376 -4.5372 -2.6330 -2.6327 -0.0589 -0.0582 0.2036 0.2099 0.4695 0.4831 0.7350 0.7409 1.3155 1.3192 2.4856 2.4992 2.7065 2.7095 3.1133 3.1576 3.2697 3.3118 3.4468 3.4974 3.5990 3.6594 3.7645 3.8068 3.9395 3.9628 4.0601 4.0864 4.1687 4.1890 4.5256 4.5478 4.8287 4.8410 5.9400 5.9530 6.0231 6.0306 6.0731 6.0835 6.3283 6.3335 6.4242 6.4346 6.4767 6.4877 6.9545 6.9602 7.1011 7.1140 7.3822 7.3861 7.5523 7.5639 7.9868 8.0385 8.5099 8.5281 k = 0.2742-0.2367-0.1559 ( 7981 PWs) bands (ev): -9.6330 -9.6329 -8.3423 -8.3423 -7.2932 -7.2930 -7.0152 -7.0145 -6.9517 -6.9515 -6.8602 -6.8597 -4.5085 -4.5081 -2.6204 -2.6201 -0.0404 -0.0397 0.2107 0.2166 0.4844 0.4982 0.7534 0.7601 1.3627 1.3666 2.4565 2.4666 2.7511 2.7579 3.0865 3.1120 3.2459 3.3059 3.3822 3.4425 3.5834 3.6531 3.7524 3.7873 3.9406 3.9619 4.0582 4.0859 4.1783 4.2000 4.4934 4.5156 4.8316 4.8444 5.9169 5.9284 6.0235 6.0310 6.0702 6.0822 6.3262 6.3317 6.4293 6.4404 6.4812 6.4928 6.9387 6.9441 7.0805 7.0949 7.3869 7.3911 7.5521 7.5641 7.9888 8.0411 8.5164 8.5327 k = 0.2903-0.2507-0.1650 ( 7977 PWs) bands (ev): -9.6212 -9.6211 -8.3318 -8.3318 -7.3232 -7.3230 -7.0204 -7.0198 -6.9669 -6.9667 -6.8684 -6.8679 -4.4801 -4.4798 -2.6079 -2.6076 -0.0223 -0.0214 0.2185 0.2242 0.4997 0.5135 0.7739 0.7813 1.4094 1.4137 2.4249 2.4325 2.7850 2.8022 3.0572 3.0674 3.2132 3.2901 3.3160 3.4023 3.5784 3.6539 3.7426 3.7718 3.9410 3.9605 4.0577 4.0894 4.1884 4.2142 4.4603 4.4846 4.8364 4.8494 5.8915 5.9018 6.0228 6.0314 6.0678 6.0813 6.3239 6.3296 6.4342 6.4459 6.4854 6.4973 6.9246 6.9296 7.0620 7.0777 7.3919 7.3962 7.5507 7.5633 7.9886 8.0411 8.5205 8.5355 k = 0.3065-0.2646-0.1742 ( 7980 PWs) bands (ev): -9.6095 -9.6094 -8.3213 -8.3212 -7.3526 -7.3524 -7.0255 -7.0248 -6.9818 -6.9816 -6.8764 -6.8759 -4.4527 -4.4524 -2.5956 -2.5954 -0.0046 -0.0037 0.2271 0.2325 0.5159 0.5297 0.7954 0.8034 1.4549 1.4597 2.3915 2.3973 2.8042 2.8369 3.0242 3.0334 3.1703 3.2395 3.2854 3.3793 3.5784 3.6559 3.7356 3.7612 3.9402 3.9586 4.0591 4.0956 4.1981 4.2310 4.4280 4.4567 4.8424 4.8552 5.8641 5.8735 6.0214 6.0310 6.0664 6.0809 6.3213 6.3272 6.4390 6.4512 6.4893 6.5014 6.9119 6.9164 7.0462 7.0631 7.3971 7.4015 7.5481 7.5614 7.9866 8.0386 8.5221 8.5367 k = 0.3226-0.2785-0.1834 ( 7980 PWs) bands (ev): -9.5980 -9.5979 -8.3108 -8.3108 -7.3810 -7.3808 -7.0302 -7.0296 -6.9962 -6.9959 -6.8841 -6.8837 -4.4266 -4.4263 -2.5838 -2.5835 0.0123 0.0133 0.2363 0.2414 0.5336 0.5472 0.8171 0.8257 1.4983 1.5037 2.3563 2.3605 2.8046 2.8590 2.9853 3.0171 3.1262 3.1832 3.2721 3.3651 3.5794 3.6556 3.7309 3.7572 3.9386 3.9565 4.0626 4.1037 4.2062 4.2490 4.3985 4.4340 4.8487 4.8613 5.8354 5.8440 6.0192 6.0292 6.0663 6.0811 6.3185 6.3246 6.4435 6.4561 6.4930 6.5052 6.8999 6.9041 7.0336 7.0513 7.4030 7.4072 7.5442 7.5585 7.9830 8.0339 8.5212 8.5358 k = 0.3387-0.2925-0.1925 ( 7983 PWs) bands (ev): -9.5869 -9.5869 -8.3006 -8.3005 -7.4081 -7.4080 -7.0347 -7.0340 -7.0100 -7.0097 -6.8915 -6.8910 -4.4019 -4.4016 -2.5725 -2.5722 0.0283 0.0294 0.2460 0.2507 0.5527 0.5661 0.8385 0.8475 1.5389 1.5449 2.3187 2.3221 2.7888 2.8668 2.9478 3.0067 3.0924 3.1396 3.2625 3.3536 3.5786 3.6517 3.7283 3.7596 3.9369 3.9547 4.0681 4.1127 4.2112 4.2663 4.3741 4.4188 4.8550 4.8672 5.8056 5.8135 6.0164 6.0260 6.0674 6.0818 6.3156 6.3217 6.4480 6.4606 6.4965 6.5085 6.8886 6.8928 7.0243 7.0423 7.4094 7.4133 7.5391 7.5544 7.9780 8.0271 8.5180 8.5327 k = 0.3548-0.3064-0.2017 ( 7990 PWs) bands (ev): -9.5763 -9.5763 -8.2907 -8.2906 -7.4338 -7.4336 -7.0389 -7.0382 -7.0230 -7.0226 -6.8984 -6.8980 -4.3789 -4.3786 -2.5618 -2.5616 0.0432 0.0444 0.2559 0.2603 0.5731 0.5861 0.8591 0.8686 1.5759 1.5826 2.2782 2.2815 2.7650 2.8626 2.9118 2.9946 3.0738 3.1105 3.2547 3.3421 3.5751 3.6443 3.7287 3.7654 3.9362 3.9539 4.0748 4.1218 4.2121 4.2784 4.3600 4.4127 4.8610 4.8726 5.7752 5.7824 6.0131 6.0219 6.0696 6.0830 6.3125 6.3185 6.4523 6.4647 6.4998 6.5114 6.8780 6.8823 7.0181 7.0358 7.4165 7.4199 7.5330 7.5494 7.9717 8.0183 8.5127 8.5273 k = 0.3710-0.3203-0.2109 ( 7990 PWs) bands (ev): -9.5664 -9.5663 -8.2813 -8.2812 -7.4576 -7.4575 -7.0429 -7.0420 -7.0350 -7.0345 -6.9049 -6.9045 -4.3578 -4.3575 -2.5519 -2.5517 0.0570 0.0582 0.2659 0.2700 0.5943 0.6069 0.8790 0.8887 1.6087 1.6158 2.2350 2.2386 2.7414 2.8496 2.8825 2.9790 3.0653 3.0925 3.2471 3.3290 3.5696 3.6341 3.7322 3.7717 3.9373 3.9549 4.0822 4.1302 4.2089 4.2789 4.3625 4.4158 4.8664 4.8773 5.7449 5.7513 6.0095 6.0172 6.0725 6.0845 6.3093 6.3151 6.4566 6.4684 6.5029 6.5139 6.8684 6.8730 7.0144 7.0314 7.4241 7.4270 7.5260 7.5436 7.9645 8.0079 8.5059 8.5196 k = 0.3871-0.3342-0.2200 ( 7985 PWs) bands (ev): -9.5572 -9.5572 -8.2725 -8.2724 -7.4795 -7.4794 -7.0481 -7.0469 -7.0446 -7.0438 -6.9107 -6.9103 -4.3387 -4.3385 -2.5429 -2.5427 0.0695 0.0707 0.2757 0.2794 0.6155 0.6275 0.8982 0.9079 1.6367 1.6440 2.1899 2.1936 2.7226 2.8294 2.8670 2.9643 3.0597 3.0798 3.2383 3.3134 3.5631 3.6221 3.7379 3.7768 3.9408 3.9578 4.0896 4.1369 4.2037 4.2698 4.3792 4.4264 4.8710 4.8813 5.7151 5.7208 6.0058 6.0124 6.0757 6.0863 6.3062 6.3116 6.4607 6.4718 6.5059 6.5161 6.8601 6.8648 7.0128 7.0286 7.4319 7.4347 7.5186 7.5373 7.9565 7.9962 8.4981 8.5104 k = 0.4032-0.3482-0.2292 ( 7997 PWs) bands (ev): -9.5490 -9.5489 -8.2644 -8.2644 -7.4990 -7.4989 -7.0566 -7.0563 -7.0481 -7.0480 -6.9159 -6.9156 -4.3218 -4.3216 -2.5349 -2.5347 0.0806 0.0818 0.2850 0.2884 0.6361 0.6472 0.9167 0.9262 1.6597 1.6669 2.1441 2.1477 2.7112 2.8090 2.8627 2.9538 3.0530 3.0685 3.2274 3.2946 3.5567 3.6090 3.7447 3.7804 3.9464 3.9622 4.0964 4.1407 4.1992 4.2585 4.4022 4.4418 4.8749 4.8843 5.6867 5.6917 6.0022 6.0077 6.0790 6.0882 6.3031 6.3080 6.4647 6.4747 6.5085 6.5177 6.8532 6.8579 7.0126 7.0268 7.4392 7.4432 7.5110 7.5310 7.9482 7.9835 8.4899 8.5004 k = 0.4194-0.3621-0.2384 ( 7989 PWs) bands (ev): -9.5417 -9.5417 -8.2573 -8.2572 -7.5160 -7.5159 -7.0650 -7.0649 -7.0508 -7.0507 -6.9204 -6.9201 -4.3073 -4.3071 -2.5279 -2.5277 0.0902 0.0914 0.2936 0.2965 0.6550 0.6650 0.9346 0.9434 1.6777 1.6845 2.0996 2.1029 2.7075 2.7932 2.8658 2.9483 3.0442 3.0571 3.2143 3.2729 3.5510 3.5956 3.7519 3.7824 3.9535 3.9675 4.1023 4.1409 4.1977 4.2481 4.4270 4.4595 4.8780 4.8864 5.6603 5.6646 5.9989 6.0034 6.0823 6.0900 6.3002 6.3046 6.4685 6.4773 6.5109 6.5190 6.8478 6.8523 7.0134 7.0257 7.4458 7.4518 7.5040 7.5249 7.9401 7.9704 8.4820 8.4904 k = 0.4355-0.3760-0.2476 ( 7992 PWs) bands (ev): -9.5357 -9.5356 -8.2512 -8.2512 -7.5303 -7.5302 -7.0722 -7.0721 -7.0529 -7.0528 -6.9241 -6.9239 -4.2953 -4.2951 -2.5221 -2.5220 0.0984 0.0994 0.3012 0.3036 0.6716 0.6800 0.9515 0.9592 1.6912 1.6972 2.0586 2.0614 2.7107 2.7823 2.8748 2.9473 3.0335 3.0455 3.1998 3.2492 3.5466 3.5827 3.7588 3.7833 3.9612 3.9731 4.1074 4.1381 4.1993 4.2394 4.4512 4.4770 4.8804 4.8876 5.6370 5.6406 5.9960 5.9995 6.0854 6.0916 6.2977 6.3013 6.4720 6.4793 6.5130 6.5197 6.8439 6.8479 7.0147 7.0249 7.4515 7.4596 7.4984 7.5195 7.9326 7.9575 8.4748 8.4812 k = 0.4516-0.3899-0.2567 ( 7999 PWs) bands (ev): -9.5308 -9.5308 -8.2463 -8.2463 -7.5416 -7.5416 -7.0778 -7.0778 -7.0546 -7.0544 -6.9271 -6.9269 -4.2858 -4.2857 -2.5175 -2.5174 0.1048 0.1057 0.3075 0.3094 0.6852 0.6918 0.9667 0.9729 1.7007 1.7055 2.0234 2.0258 2.7189 2.7746 2.8885 2.9493 3.0218 3.0339 3.1859 3.2253 3.5436 3.5709 3.7651 3.7833 3.9686 3.9780 4.1115 4.1338 4.2028 4.2324 4.4730 4.4923 4.8823 4.8880 5.6177 5.6205 5.9937 5.9963 6.0881 6.0928 6.2956 6.2984 6.4751 6.4808 6.5148 6.5200 6.8413 6.8445 7.0163 7.0242 7.4560 7.4650 7.4954 7.5149 7.9266 7.9456 8.4688 8.4734 k = 0.4677-0.4039-0.2659 ( 8004 PWs) bands (ev): -9.5273 -9.5273 -8.2427 -8.2427 -7.5498 -7.5498 -7.0820 -7.0819 -7.0557 -7.0556 -6.9292 -6.9291 -4.2790 -4.2789 -2.5142 -2.5141 0.1096 0.1102 0.3123 0.3136 0.6954 0.7000 0.9792 0.9836 1.7070 1.7104 1.9965 1.9982 2.7300 2.7683 2.9052 2.9513 3.0112 3.0229 3.1752 3.2031 3.5425 3.5607 3.7705 3.7825 3.9750 3.9815 4.1151 4.1293 4.2072 4.2265 4.4908 4.5038 4.8837 4.8877 5.6033 5.6051 5.9921 5.9938 6.0904 6.0936 6.2941 6.2961 6.4777 6.4816 6.5164 6.5199 6.8398 6.8421 7.0181 7.0234 7.4593 7.4668 7.4963 7.5111 7.9226 7.9355 8.4645 8.4674 k = 0.4839-0.4178-0.2751 ( 8006 PWs) bands (ev): -9.5252 -9.5252 -8.2405 -8.2405 -7.5548 -7.5548 -7.0845 -7.0844 -7.0564 -7.0564 -6.9305 -6.9304 -4.2748 -4.2748 -2.5122 -2.5121 0.1126 0.1129 0.3154 0.3160 0.7021 0.7044 0.9878 0.9900 1.7107 1.7125 1.9798 1.9806 2.7419 2.7614 2.9228 2.9488 3.0053 3.0134 3.1705 3.1851 3.5435 3.5527 3.7749 3.7808 3.9798 3.9832 4.1183 4.1252 4.2119 4.2214 4.5035 4.5100 4.8849 4.8870 5.5944 5.5954 5.9913 5.9921 6.0922 6.0938 6.2934 6.2944 6.4797 6.4817 6.5177 6.5195 6.8393 6.8405 7.0197 7.0224 7.4618 7.4659 7.4997 7.5076 7.9212 7.9278 8.4621 8.4635 k = 0.5000-0.4317-0.2842 ( 7996 PWs) bands (ev): -9.5245 -9.5245 -8.2398 -8.2398 -7.5565 -7.5565 -7.0853 -7.0853 -7.0566 -7.0566 -6.9309 -6.9309 -4.2734 -4.2734 -2.5115 -2.5115 0.1137 0.1137 0.3166 0.3166 0.7051 0.7051 0.9915 0.9915 1.7125 1.7125 1.9743 1.9743 2.7527 2.7527 2.9386 2.9386 3.0067 3.0067 3.1738 3.1738 3.5469 3.5469 3.7784 3.7784 3.9826 3.9826 4.1216 4.1216 4.2166 4.2166 4.5100 4.5100 4.8860 4.8860 5.5918 5.5918 5.9914 5.9914 6.0933 6.0933 6.2935 6.2935 6.4811 6.4811 6.5187 6.5187 6.8395 6.8395 7.0212 7.0212 7.4640 7.4640 7.5038 7.5038 7.9229 7.9229 8.4617 8.4617 k = 0.5000-0.4317-0.2842 ( 7996 PWs) bands (ev): -9.5245 -9.5245 -8.2398 -8.2398 -7.5565 -7.5565 -7.0853 -7.0853 -7.0566 -7.0566 -6.9309 -6.9309 -4.2734 -4.2734 -2.5115 -2.5115 0.1137 0.1137 0.3166 0.3166 0.7051 0.7051 0.9915 0.9915 1.7125 1.7125 1.9743 1.9743 2.7527 2.7527 2.9386 2.9386 3.0067 3.0067 3.1738 3.1738 3.5469 3.5469 3.7784 3.7784 3.9826 3.9826 4.1216 4.1216 4.2166 4.2166 4.5100 4.5100 4.8860 4.8860 5.5918 5.5918 5.9914 5.9914 6.0933 6.0933 6.2935 6.2935 6.4811 6.4811 6.5187 6.5187 6.8395 6.8395 7.0212 7.0212 7.4640 7.4640 7.5038 7.5038 7.9229 7.9229 8.4617 8.4617 k = 0.5000-0.4187-0.3040 ( 8010 PWs) bands (ev): -9.5242 -9.5242 -8.2396 -8.2396 -7.5560 -7.5559 -7.0866 -7.0863 -7.0571 -7.0567 -6.9315 -6.9314 -4.2724 -4.2724 -2.5108 -2.5107 0.1151 0.1155 0.3163 0.3170 0.7029 0.7047 0.9896 0.9914 1.7080 1.7101 1.9749 1.9767 2.7507 2.7546 2.9368 2.9432 3.0038 3.0110 3.1689 3.1792 3.5424 3.5492 3.7745 3.7790 3.9787 3.9863 4.1178 4.1290 4.2154 4.2236 4.5116 4.5141 4.8838 4.8853 5.5902 5.5914 5.9879 5.9913 6.0893 6.0947 6.2932 6.2962 6.4795 6.4824 6.5180 6.5195 6.8392 6.8417 7.0207 7.0227 7.4541 7.4693 7.4946 7.5114 7.9194 7.9240 8.4591 8.4649 k = 0.5000-0.4057-0.3238 ( 8008 PWs) bands (ev): -9.5235 -9.5235 -8.2390 -8.2390 -7.5544 -7.5543 -7.0902 -7.0897 -7.0579 -7.0572 -6.9333 -6.9331 -4.2692 -4.2692 -2.5085 -2.5084 0.1197 0.1205 0.3159 0.3174 0.6983 0.7019 0.9857 0.9893 1.6969 1.7009 1.9783 1.9816 2.7487 2.7563 2.9378 2.9509 3.0025 3.0169 3.1648 3.1851 3.5359 3.5493 3.7678 3.7768 3.9756 3.9896 4.1184 4.1378 4.2213 4.2357 4.5190 4.5238 4.8786 4.8817 5.5866 5.5890 5.9815 5.9877 6.0832 6.0932 6.2951 6.3009 6.4776 6.4833 6.5174 6.5203 6.8406 6.8456 7.0216 7.0257 7.4406 7.4642 7.4899 7.5168 7.9133 7.9224 8.4571 8.4683 k = 0.5000-0.3927-0.3435 ( 8002 PWs) bands (ev): -9.5222 -9.5222 -8.2381 -8.2381 -7.5518 -7.5517 -7.0966 -7.0960 -7.0586 -7.0576 -6.9363 -6.9360 -4.2641 -4.2640 -2.5049 -2.5047 0.1274 0.1286 0.3156 0.3178 0.6913 0.6966 0.9800 0.9853 1.6798 1.6854 1.9842 1.9887 2.7458 2.7571 2.9417 2.9615 3.0025 3.0244 3.1616 3.1915 3.5279 3.5475 3.7587 3.7721 3.9741 3.9927 4.1224 4.1453 4.2353 4.2524 4.5317 4.5386 4.8708 4.8754 5.5810 5.5846 5.9724 5.9809 6.0752 6.0888 6.2992 6.3072 6.4757 6.4837 6.5171 6.5211 6.8431 6.8504 7.0243 7.0303 7.4239 7.4476 7.4923 7.5207 7.9043 7.9172 8.4553 8.4711 k = 0.5000-0.3797-0.3633 ( 8000 PWs) bands (ev): -9.5206 -9.5205 -8.2369 -8.2369 -7.5481 -7.5480 -7.1059 -7.1052 -7.0587 -7.0576 -6.9402 -6.9398 -4.2571 -4.2570 -2.4999 -2.4997 0.1382 0.1399 0.3154 0.3183 0.6821 0.6890 0.9729 0.9796 1.6577 1.6644 1.9923 1.9975 2.7416 2.7562 2.9482 2.9752 3.0040 3.0335 3.1595 3.1983 3.5192 3.5443 3.7481 3.7656 3.9743 3.9962 4.1283 4.1510 4.2562 4.2731 4.5489 4.5578 4.8605 4.8670 5.5733 5.5780 5.9612 5.9711 6.0659 6.0818 6.3051 6.3148 6.4736 6.4835 6.5170 6.5218 6.8459 6.8552 7.0296 7.0373 7.4045 7.4261 7.4965 7.5240 7.8916 7.9079 8.4532 8.4723 k = 0.5000-0.3666-0.3831 ( 7994 PWs) bands (ev): -9.5184 -9.5184 -8.2354 -8.2354 -7.5434 -7.5433 -7.1179 -7.1172 -7.0585 -7.0573 -6.9452 -6.9447 -4.2485 -4.2484 -2.4939 -2.4936 0.1520 0.1542 0.3154 0.3190 0.6710 0.6792 0.9645 0.9727 1.6312 1.6387 2.0021 2.0078 2.7350 2.7525 2.9570 2.9914 3.0072 3.0445 3.1589 3.2056 3.5105 3.5404 3.7366 3.7579 3.9761 4.0004 4.1351 4.1555 4.2819 4.2970 4.5693 4.5804 4.8485 4.8571 5.5635 5.5692 5.9487 5.9592 6.0553 6.0722 6.3121 6.3231 6.4716 6.4829 6.5172 6.5225 6.8480 6.8587 7.0382 7.0473 7.3836 7.4028 7.5012 7.5274 7.8748 7.8940 8.4503 8.4715 k = 0.5000-0.3536-0.4028 ( 7996 PWs) bands (ev): -9.5159 -9.5159 -8.2337 -8.2337 -7.5378 -7.5377 -7.1324 -7.1318 -7.0578 -7.0566 -6.9509 -6.9503 -4.2384 -4.2383 -2.4869 -2.4865 0.1686 0.1713 0.3156 0.3199 0.6581 0.6676 0.9556 0.9649 1.6011 1.6092 2.0134 2.0192 2.7254 2.7454 2.9674 3.0056 3.0166 3.0576 3.1601 3.2133 3.5026 3.5364 3.7248 3.7496 3.9793 4.0055 4.1421 4.1597 4.3099 4.3229 4.5912 4.6053 4.8356 4.8470 5.5515 5.5581 5.9356 5.9461 6.0433 6.0604 6.3200 6.3319 6.4696 6.4818 6.5177 6.5232 6.8484 6.8599 7.0509 7.0607 7.3625 7.3797 7.5058 7.5310 7.8536 7.8755 8.4466 8.4685 k = 0.5000-0.3406-0.4226 ( 7992 PWs) bands (ev): -9.5131 -9.5131 -8.2319 -8.2318 -7.5311 -7.5310 -7.1488 -7.1483 -7.0571 -7.0558 -6.9571 -6.9564 -4.2273 -4.2272 -2.4792 -2.4787 0.1877 0.1912 0.3160 0.3210 0.6438 0.6545 0.9465 0.9569 1.5680 1.5766 2.0259 2.0316 2.7123 2.7342 2.9780 3.0128 3.0369 3.0735 3.1632 3.2215 3.4959 3.5329 3.7128 3.7407 3.9834 4.0114 4.1491 4.1642 4.3384 4.3497 4.6119 4.6305 4.8233 4.8384 5.5375 5.5450 5.9226 5.9328 6.0300 6.0466 6.3283 6.3408 6.4677 6.4804 6.5183 6.5238 6.8469 6.8586 7.0674 7.0776 7.3424 7.3580 7.5103 7.5349 7.8282 7.8529 8.4423 8.4640 k = 0.5000-0.3276-0.4424 ( 7974 PWs) bands (ev): -9.5100 -9.5099 -8.2300 -8.2299 -7.5236 -7.5234 -7.1670 -7.1665 -7.0565 -7.0552 -6.9635 -6.9627 -4.2154 -4.2152 -2.4710 -2.4706 0.2092 0.2136 0.3165 0.3223 0.6284 0.6401 0.9381 0.9494 1.5324 1.5414 2.0396 2.0451 2.6954 2.7188 2.9879 3.0196 3.0611 3.0924 3.1680 3.2300 3.4907 3.5302 3.7008 3.7315 3.9880 4.0177 4.1559 4.1693 4.3659 4.3765 4.6282 4.6525 4.8146 4.8341 5.5218 5.5300 5.9106 5.9201 6.0152 6.0311 6.3368 6.3496 6.4658 6.4787 6.5191 6.5243 6.8436 6.8549 7.0872 7.0973 7.3243 7.3390 7.5142 7.5388 7.7994 7.8274 8.4379 8.4587 k = 0.5000-0.3146-0.4621 ( 7976 PWs) bands (ev): -9.5066 -9.5066 -8.2282 -8.2281 -7.5151 -7.5149 -7.1863 -7.1859 -7.0563 -7.0550 -6.9696 -6.9688 -4.2030 -4.2028 -2.4627 -2.4622 0.2326 0.2380 0.3172 0.3239 0.6123 0.6249 0.9310 0.9431 1.4949 1.5043 2.0544 2.0596 2.6750 2.6994 2.9965 3.0273 3.0869 3.1143 3.1745 3.2387 3.4873 3.5284 3.6887 3.7218 3.9926 4.0240 4.1624 4.1749 4.3915 4.4021 4.6365 4.6662 4.8138 4.8371 5.5050 5.5137 5.8999 5.9088 5.9990 6.0140 6.3452 6.3581 6.4641 6.4767 6.5200 6.5247 6.8389 6.8496 7.1090 7.1188 7.3091 7.3234 7.5167 7.5420 7.7685 7.8004 8.4344 8.4536 k = 0.5000-0.3016-0.4819 ( 7982 PWs) bands (ev): -9.5031 -9.5031 -8.2265 -8.2264 -7.5059 -7.5056 -7.2065 -7.2061 -7.0569 -7.0556 -6.9750 -6.9740 -4.1904 -4.1902 -2.4546 -2.4540 0.2570 0.2641 0.3180 0.3257 0.5958 0.6094 0.9262 0.9391 1.4559 1.4658 2.0702 2.0752 2.6514 2.6764 3.0042 3.0355 3.1134 3.1381 3.1825 3.2476 3.4852 3.5273 3.6764 3.7115 3.9970 4.0300 4.1687 4.1809 4.4146 4.4257 4.6349 4.6674 4.8247 4.8486 5.4877 5.4969 5.8911 5.8993 5.9817 5.9958 6.3533 6.3660 6.4624 6.4746 6.5208 6.5250 6.8338 6.8435 7.1312 7.1403 7.2973 7.3119 7.5168 7.5432 7.7378 7.7744 8.4322 8.4497 k = 0.5000-0.2886-0.5017 ( 7984 PWs) bands (ev): -9.4996 -9.4996 -8.2252 -8.2251 -7.4958 -7.4956 -7.2271 -7.2267 -7.0586 -7.0573 -6.9790 -6.9780 -4.1781 -4.1779 -2.4469 -2.4463 0.2805 0.2900 0.3198 0.3292 0.5794 0.5939 0.9246 0.9383 1.4157 1.4264 2.0871 2.0917 2.6251 2.6505 3.0114 3.0441 3.1392 3.1611 3.1937 3.2566 3.4843 3.5267 3.6637 3.7005 4.0007 4.0353 4.1746 4.1870 4.4347 4.4466 4.6244 4.6570 4.8452 4.8672 5.4710 5.4805 5.8841 5.8917 5.9637 5.9771 6.3609 6.3732 6.4609 6.4724 6.5216 6.5251 6.8290 6.8377 7.1518 7.1600 7.2897 7.3052 7.5132 7.5407 7.7107 7.7519 8.4321 8.4476 k = 0.5000-0.2755-0.5215 ( 7990 PWs) bands (ev): -9.4961 -9.4960 -8.2242 -8.2241 -7.4852 -7.4849 -7.2476 -7.2472 -7.0616 -7.0603 -6.9813 -6.9803 -4.1663 -4.1661 -2.4399 -2.4392 0.2974 0.3072 0.3299 0.3393 0.5633 0.5789 0.9271 0.9419 1.3748 1.3865 2.1048 2.1092 2.5969 2.6225 3.0185 3.0527 3.1621 3.1781 3.2123 3.2663 3.4839 3.5261 3.6506 3.6886 4.0037 4.0396 4.1801 4.1931 4.4515 4.4644 4.6076 4.6396 4.8702 4.8895 5.4558 5.4655 5.8790 5.8861 5.9457 5.9586 6.3680 6.3796 6.4596 6.4701 6.5223 6.5251 6.8254 6.8328 7.1685 7.1754 7.2872 7.3038 7.5050 7.5324 7.6908 7.7352 8.4343 8.4479 k = 0.5000-0.2625-0.5412 ( 7992 PWs) bands (ev): -9.4927 -9.4926 -8.2238 -8.2237 -7.4740 -7.4736 -7.2676 -7.2672 -7.0658 -7.0645 -6.9817 -6.9808 -4.1554 -4.1551 -2.4339 -2.4332 0.3017 0.3091 0.3530 0.3618 0.5481 0.5652 0.9347 0.9507 1.3336 1.3467 2.1231 2.1277 2.5676 2.5935 3.0255 3.0615 3.1765 3.1913 3.2381 3.2775 3.4832 3.5247 3.6372 3.6757 4.0057 4.0424 4.1851 4.1989 4.4646 4.4788 4.5873 4.6189 4.8953 4.9124 5.4430 5.4527 5.8755 5.8822 5.9287 5.9413 6.3744 6.3850 6.4585 6.4677 6.5229 6.5251 6.8235 6.8294 7.1788 7.1845 7.2903 7.3077 7.4930 7.5180 7.6804 7.7252 8.4392 8.4509 k = 0.5000-0.2495-0.5610 ( 8000 PWs) bands (ev): -9.4895 -9.4894 -8.2242 -8.2240 -7.4624 -7.4621 -7.2865 -7.2861 -7.0708 -7.0697 -6.9804 -6.9795 -4.1455 -4.1453 -2.4291 -2.4283 0.2985 0.3053 0.3783 0.3900 0.5342 0.5537 0.9478 0.9656 1.2924 1.3075 2.1419 2.1469 2.5381 2.5643 3.0323 3.0702 3.1805 3.2035 3.2666 3.2917 3.4815 3.5220 3.6236 3.6618 4.0066 4.0436 4.1896 4.2041 4.4738 4.4900 4.5654 4.5972 4.9176 4.9332 5.4332 5.4429 5.8729 5.8793 5.9139 5.9265 6.3798 6.3893 6.4577 6.4654 6.5234 6.5250 6.8236 6.8281 7.1810 7.1865 7.2989 7.3163 7.4794 7.5010 7.6780 7.7209 8.4465 8.4565 k = 0.5000-0.2365-0.5808 ( 7992 PWs) bands (ev): -9.4866 -9.4865 -8.2254 -8.2252 -7.4509 -7.4505 -7.3038 -7.3034 -7.0762 -7.0752 -6.9775 -6.9768 -4.1371 -4.1368 -2.4256 -2.4248 0.2916 0.2984 0.4018 0.4180 0.5230 0.5461 0.9662 0.9869 1.2519 1.2700 2.1606 2.1667 2.5094 2.5362 3.0385 3.0789 3.1785 3.2102 3.2949 3.3093 3.4783 3.5174 3.6100 3.6472 4.0067 4.0431 4.1933 4.2085 4.4784 4.4981 4.5435 4.5767 4.9348 4.9499 5.4268 5.4365 5.8707 5.8767 5.9033 5.9159 6.3843 6.3925 6.4571 6.4632 6.5238 6.5250 6.8257 6.8287 7.1749 7.1817 7.3114 7.3280 7.4673 7.4860 7.6803 7.7202 8.4560 8.4647 k = 0.5000-0.2235-0.6005 ( 7982 PWs) bands (ev): -9.4841 -9.4840 -8.2276 -8.2274 -7.4399 -7.4394 -7.3186 -7.3181 -7.0816 -7.0807 -6.9735 -6.9728 -4.1303 -4.1300 -2.4238 -2.4229 0.2820 0.2890 0.4196 0.4404 0.5183 0.5453 0.9886 1.0140 1.2128 1.2358 2.1789 2.1865 2.4825 2.5102 3.0437 3.0873 3.1719 3.2105 3.3203 3.3302 3.4729 3.5110 3.5967 3.6326 4.0058 4.0409 4.1961 4.2120 4.4777 4.5034 4.5230 4.5591 4.9455 4.9607 5.4241 5.4338 5.8683 5.8734 5.8987 5.9106 6.3876 6.3946 6.4569 6.4612 6.5241 6.5250 6.8291 6.8313 7.1622 7.1712 7.3263 7.3413 7.4592 7.4762 7.6844 7.7209 8.4672 8.4749 k = 0.5000-0.2105-0.6203 ( 7984 PWs) bands (ev): -9.4821 -9.4820 -8.2309 -8.2308 -7.4303 -7.4297 -7.3299 -7.3293 -7.0863 -7.0855 -6.9685 -6.9679 -4.1253 -4.1250 -2.4236 -2.4227 0.2705 0.2775 0.4279 0.4493 0.5276 0.5545 1.0114 1.0445 1.1778 1.2087 2.1960 2.2057 2.4588 2.4878 3.0472 3.0947 3.1610 3.2055 3.3397 3.3540 3.4653 3.5031 3.5836 3.6189 4.0043 4.0371 4.1980 4.2141 4.4709 4.5005 4.5102 4.5460 4.9487 4.9646 5.4249 5.4346 5.8667 5.8709 5.8994 5.9102 6.3897 6.3957 6.4570 6.4594 6.5243 6.5251 6.8326 6.8354 7.1454 7.1564 7.3428 7.3558 7.4560 7.4720 7.6880 7.7211 8.4794 8.4867 k = 0.5000-0.1974-0.6401 ( 7980 PWs) bands (ev): -9.4806 -9.4806 -8.2355 -8.2354 -7.4232 -7.4226 -7.3361 -7.3356 -7.0902 -7.0894 -6.9628 -6.9622 -4.1222 -4.1220 -2.4253 -2.4243 0.2574 0.2644 0.4266 0.4444 0.5506 0.5734 1.0266 1.0677 1.1569 1.1960 2.2110 2.2231 2.4401 2.4706 3.0479 3.0997 3.1469 3.1966 3.3537 3.3762 3.4561 3.4948 3.5712 3.6077 4.0022 4.0318 4.1985 4.2149 4.4590 4.4841 4.5103 4.5381 4.9439 4.9607 5.4292 5.4390 5.8676 5.8714 5.9036 5.9135 6.3904 6.3959 6.4569 6.4585 6.5244 6.5252 6.8356 6.8399 7.1275 7.1400 7.3602 7.3708 7.4579 7.4728 7.6899 7.7198 8.4916 8.4990 k = 0.5000-0.1844-0.6598 ( 7978 PWs) bands (ev): -9.4799 -9.4798 -8.2415 -8.2413 -7.4197 -7.4190 -7.3361 -7.3356 -7.0928 -7.0921 -6.9565 -6.9560 -4.1213 -4.1210 -2.4287 -2.4277 0.2433 0.2503 0.4190 0.4331 0.5794 0.5985 1.0245 1.0603 1.1729 1.2066 2.2230 2.2374 2.4283 2.4600 3.0443 3.0970 3.1348 3.1854 3.3618 3.3922 3.4471 3.4879 3.5601 3.6006 3.9996 4.0253 4.1977 4.2141 4.4440 4.4669 4.5102 4.5340 4.9311 4.9492 5.4371 5.4467 5.8719 5.8760 5.9101 5.9196 6.3899 6.3953 6.4558 6.4591 6.5246 6.5255 6.8370 6.8431 7.1118 7.1250 7.3773 7.3855 7.4645 7.4778 7.6895 7.7164 8.5031 8.5108 k = 0.5000-0.1714-0.6796 ( 7980 PWs) bands (ev): -9.4798 -9.4798 -8.2488 -8.2487 -7.4193 -7.4188 -7.3300 -7.3296 -7.0939 -7.0933 -6.9497 -6.9492 -4.1226 -4.1223 -2.4340 -2.4329 0.2285 0.2356 0.4078 0.4195 0.6096 0.6263 1.0060 1.0317 1.2152 1.2386 2.2316 2.2474 2.4253 2.4572 3.0346 3.0791 3.1323 3.1739 3.3629 3.3968 3.4412 3.4842 3.5523 3.5985 3.9963 4.0177 4.1955 4.2118 4.4272 4.4493 4.5092 4.5324 4.9112 4.9306 5.4485 5.4579 5.8799 5.8843 5.9185 5.9279 6.3883 6.3940 6.4548 6.4602 6.5246 6.5257 6.8357 6.8435 7.1008 7.1140 7.3913 7.3982 7.4761 7.4879 7.6868 7.7113 8.5133 8.5213 k = 0.5000-0.1584-0.6994 ( 7980 PWs) bands (ev): -9.4806 -9.4805 -8.2577 -8.2575 -7.4205 -7.4201 -7.3194 -7.3191 -7.0934 -7.0929 -6.9425 -6.9421 -4.1262 -4.1259 -2.4410 -2.4399 0.2136 0.2206 0.3950 0.4050 0.6390 0.6545 0.9788 0.9985 1.2659 1.2828 2.2374 2.2535 2.4315 2.4624 3.0172 3.0508 3.1352 3.1641 3.3568 3.3893 3.4383 3.4833 3.5503 3.6013 3.9924 4.0091 4.1918 4.2082 4.4089 4.4304 4.5078 4.5320 4.8854 4.9062 5.4633 5.4725 5.8907 5.8955 5.9289 5.9382 6.3859 6.3920 6.4539 6.4616 6.5246 6.5258 6.8308 6.8403 7.0961 7.1087 7.3994 7.4067 7.4932 7.5046 7.6825 7.7052 8.5218 8.5299 k = 0.5000-0.1454-0.7191 ( 7968 PWs) bands (ev): -9.4821 -9.4821 -8.2679 -8.2678 -7.4216 -7.4212 -7.3060 -7.3058 -7.0912 -7.0908 -6.9351 -6.9347 -4.1320 -4.1317 -2.4498 -2.4486 0.1988 0.2057 0.3814 0.3903 0.6664 0.6816 0.9484 0.9652 1.3191 1.3323 2.2423 2.2577 2.4458 2.4747 2.9922 3.0181 3.1389 3.1572 3.3446 3.3756 3.4355 3.4823 3.5557 3.6080 3.9876 3.9997 4.1869 4.2034 4.3888 4.4097 4.5061 4.5320 4.8556 4.8777 5.4814 5.4904 5.9035 5.9084 5.9414 5.9506 6.3830 6.3894 6.4532 6.4633 6.5244 6.5259 6.8225 6.8335 7.0981 7.1095 7.4014 7.4094 7.5153 7.5275 7.6775 7.6994 8.5291 8.5370 k = 0.7833-0.0157-0.4178 ( 7968 PWs) bands (ev): -9.4821 -9.4821 -8.2679 -8.2678 -7.4216 -7.4212 -7.3060 -7.3058 -7.0912 -7.0908 -6.9351 -6.9347 -4.1320 -4.1317 -2.4498 -2.4486 0.1988 0.2057 0.3814 0.3903 0.6664 0.6816 0.9484 0.9652 1.3191 1.3323 2.2423 2.2577 2.4458 2.4747 2.9922 3.0181 3.1389 3.1572 3.3446 3.3756 3.4355 3.4823 3.5557 3.6080 3.9876 3.9997 4.1869 4.2034 4.3888 4.4097 4.5061 4.5320 4.8556 4.8777 5.4814 5.4904 5.9035 5.9084 5.9414 5.9506 6.3830 6.3894 6.4532 6.4633 6.5244 6.5259 6.8225 6.8335 7.0981 7.1095 7.4014 7.4094 7.5153 7.5275 7.6775 7.6994 8.5291 8.5370 k = 0.7735-0.0073-0.3982 ( 7962 PWs) bands (ev): -9.4845 -9.4845 -8.2794 -8.2793 -7.4214 -7.4211 -7.2910 -7.2909 -7.0873 -7.0869 -6.9274 -6.9271 -4.1400 -4.1398 -2.4600 -2.4589 0.1844 0.1913 0.3679 0.3759 0.6900 0.7060 0.9173 0.9337 1.3711 1.3822 2.2487 2.2632 2.4656 2.4922 2.9618 2.9841 3.1415 3.1529 3.3285 3.3599 3.4324 3.4799 3.5665 3.6168 3.9815 3.9902 4.1811 4.1979 4.3667 4.3867 4.5042 4.5316 4.8241 4.8472 5.5025 5.5113 5.9171 5.9219 5.9559 5.9646 6.3797 6.3865 6.4529 6.4653 6.5241 6.5257 6.8117 6.8241 7.1056 7.1156 7.3985 7.4066 7.5399 7.5537 7.6733 7.6955 8.5356 8.5430 k = 0.7637 0.0012-0.3786 ( 7962 PWs) bands (ev): -9.4878 -9.4877 -8.2922 -8.2921 -7.4193 -7.4191 -7.2750 -7.2748 -7.0817 -7.0813 -6.9196 -6.9193 -4.1503 -4.1500 -2.4718 -2.4706 0.1706 0.1773 0.3546 0.3620 0.7088 0.7272 0.8866 0.9046 1.4196 1.4295 2.2594 2.2731 2.4892 2.5135 2.9288 2.9505 3.1422 3.1506 3.3104 3.3441 3.4295 3.4769 3.5794 3.6266 3.9732 3.9812 4.1744 4.1917 4.3426 4.3610 4.5016 4.5303 4.7924 4.8163 5.5264 5.5351 5.9307 5.9353 5.9721 5.9803 6.3762 6.3833 6.4528 6.4675 6.5236 6.5254 6.7994 6.8130 7.1171 7.1257 7.3923 7.4001 7.5633 7.5789 7.6729 7.6963 8.5416 8.5486 k = 0.7540 0.0096-0.3590 ( 7958 PWs) bands (ev): -9.4919 -9.4919 -8.3062 -8.3061 -7.4150 -7.4148 -7.2582 -7.2581 -7.0743 -7.0740 -6.9116 -6.9113 -4.1628 -4.1625 -2.4849 -2.4836 0.1574 0.1640 0.3418 0.3489 0.7211 0.7440 0.8570 0.8792 1.4618 1.4711 2.2765 2.2899 2.5150 2.5374 2.8962 2.9189 3.1406 3.1492 3.2921 3.3295 3.4271 3.4743 3.5922 3.6362 3.9626 3.9730 4.1670 4.1848 4.3167 4.3330 4.4979 4.5273 4.7624 4.7867 5.5530 5.5615 5.9440 5.9486 5.9896 5.9970 6.3727 6.3799 6.4533 6.4702 6.5230 6.5248 6.7867 6.8015 7.1308 7.1381 7.3841 7.3914 7.5805 7.5964 7.6819 7.7054 8.5478 8.5542 k = 0.7442 0.0180-0.3394 ( 7954 PWs) bands (ev): -9.4969 -9.4968 -8.3212 -8.3211 -7.4084 -7.4082 -7.2411 -7.2410 -7.0653 -7.0650 -6.9035 -6.9033 -4.1773 -4.1770 -2.4991 -2.4978 0.1450 0.1514 0.3298 0.3366 0.7253 0.7556 0.8291 0.8585 1.4952 1.5042 2.3018 2.3152 2.5421 2.5628 2.8664 2.8910 3.1371 3.1468 3.2750 3.3178 3.4254 3.4724 3.6034 3.6449 3.9506 3.9645 4.1585 4.1770 4.2902 4.3036 4.4927 4.5222 4.7355 4.7597 5.5818 5.5904 5.9569 5.9618 6.0075 6.0142 6.3693 6.3765 6.4543 6.4733 6.5223 6.5240 6.7745 6.7902 7.1451 7.1512 7.3753 7.3820 7.5883 7.6015 7.7040 7.7248 8.5543 8.5603 k = 0.7344 0.0265-0.3198 ( 7950 PWs) bands (ev): -9.5026 -9.5026 -8.3371 -8.3370 -7.3993 -7.3991 -7.2237 -7.2236 -7.0547 -7.0545 -6.8954 -6.8951 -4.1939 -4.1936 -2.5144 -2.5131 0.1332 0.1394 0.3187 0.3254 0.7206 0.7604 0.8043 0.8428 1.5177 1.5265 2.3360 2.3497 2.5696 2.5889 2.8412 2.8686 3.1316 3.1422 3.2608 3.3101 3.4249 3.4719 3.6122 3.6524 3.9381 3.9553 4.1484 4.1675 4.2645 4.2746 4.4858 4.5148 4.7124 4.7362 5.6126 5.6213 5.9696 5.9748 6.0252 6.0313 6.3660 6.3732 6.4561 6.4771 6.5214 6.5230 6.7633 6.7797 7.1586 7.1637 7.3671 7.3733 7.5878 7.5976 7.7347 7.7523 8.5612 8.5672 k = 0.7247 0.0349-0.3002 ( 7950 PWs) bands (ev): -9.5091 -9.5091 -8.3537 -8.3536 -7.3878 -7.3877 -7.2062 -7.2061 -7.0428 -7.0426 -6.8872 -6.8870 -4.2124 -4.2121 -2.5305 -2.5292 0.1221 0.1281 0.3088 0.3155 0.7085 0.7550 0.7860 0.8310 1.5281 1.5367 2.3785 2.3929 2.5968 2.6149 2.8219 2.8525 3.1233 3.1342 3.2516 3.3081 3.4259 3.4731 3.6180 3.6581 3.9253 3.9450 4.1359 4.1554 4.2415 4.2485 4.4769 4.5048 4.6939 4.7168 5.6450 5.6538 5.9821 5.9878 6.0421 6.0477 6.3628 6.3699 6.4590 6.4817 6.5203 6.5218 6.7533 6.7704 7.1701 7.1742 7.3606 7.3663 7.5820 7.5893 7.7687 7.7842 8.5688 8.5750 k = 0.7149 0.0433-0.2806 ( 7958 PWs) bands (ev): -9.5163 -9.5162 -8.3709 -8.3708 -7.3741 -7.3740 -7.1887 -7.1885 -7.0296 -7.0294 -6.8790 -6.8788 -4.2326 -4.2323 -2.5473 -2.5459 0.1117 0.1174 0.3001 0.3071 0.6914 0.7386 0.7753 0.8204 1.5263 1.5347 2.4277 2.4433 2.6231 2.6401 2.8089 2.8434 3.1110 3.1228 3.2499 3.3130 3.4291 3.4765 3.6205 3.6621 3.9127 3.9337 4.1203 4.1397 4.2228 4.2276 4.4661 4.4925 4.6801 4.7018 5.6786 5.6876 5.9944 6.0007 6.0579 6.0631 6.3598 6.3668 6.4628 6.4871 6.5188 6.5205 6.7449 6.7623 7.1788 7.1819 7.3565 7.3617 7.5730 7.5785 7.8032 7.8174 8.5770 8.5838 k = 0.7051 0.0518-0.2610 ( 7962 PWs) bands (ev): -9.5241 -9.5240 -8.3884 -8.3883 -7.3582 -7.3581 -7.1713 -7.1711 -7.0154 -7.0151 -6.8708 -6.8706 -4.2545 -4.2542 -2.5645 -2.5632 0.1017 0.1072 0.2928 0.3001 0.6719 0.7183 0.7653 0.8091 1.5129 1.5210 2.4806 2.4978 2.6476 2.6633 2.8022 2.8406 3.0948 3.1089 3.2578 3.3263 3.4351 3.4826 3.6198 3.6642 3.9007 3.9218 4.1015 4.1211 4.2088 4.2125 4.4534 4.4778 4.6713 4.6914 5.7129 5.7221 6.0065 6.0136 6.0724 6.0772 6.3569 6.3639 6.4678 6.4932 6.5170 6.5192 6.7382 6.7558 7.1842 7.1865 7.3548 7.3596 7.5622 7.5664 7.8367 7.8501 8.5858 8.5934 k = 0.6954 0.0602-0.2414 ( 7960 PWs) bands (ev): -9.5324 -9.5323 -8.4062 -8.4061 -7.3402 -7.3401 -7.1541 -7.1539 -7.0002 -7.0000 -6.8626 -6.8625 -4.2779 -4.2776 -2.5821 -2.5808 0.0922 0.0974 0.2869 0.2948 0.6514 0.6979 0.7527 0.7961 1.4895 1.4973 2.5333 2.5529 2.6689 2.6835 2.8010 2.8426 3.0774 3.0950 3.2759 3.3490 3.4440 3.4917 3.6163 3.6644 3.8897 3.9098 4.0812 4.1017 4.1987 4.2017 4.4387 4.4609 4.6674 4.6856 5.7477 5.7570 6.0185 6.0264 6.0854 6.0900 6.3542 6.3612 6.4737 6.4995 6.5147 6.5180 6.7336 6.7511 7.1867 7.1884 7.3550 7.3595 7.5504 7.5536 7.8684 7.8812 8.5951 8.6035 k = 0.6856 0.0686-0.2218 ( 7960 PWs) bands (ev): -9.5411 -9.5410 -8.4239 -8.4239 -7.3205 -7.3204 -7.1372 -7.1370 -6.9843 -6.9841 -6.8546 -6.8544 -4.3025 -4.3023 -2.5998 -2.5985 0.0831 0.0879 0.2826 0.2911 0.6307 0.6783 0.7375 0.7814 1.4577 1.4651 2.5801 2.6033 2.6846 2.7015 2.8045 2.8475 3.0633 3.0846 3.3042 3.3814 3.4559 3.5036 3.6114 3.6637 3.8802 3.8985 4.0611 4.0834 4.1913 4.1934 4.4219 4.4419 4.6686 4.6846 5.7823 5.7918 6.0302 6.0391 6.0967 6.1014 6.3517 6.3587 6.4799 6.5046 6.5125 6.5179 6.7315 6.7487 7.1870 7.1883 7.3559 7.3604 7.5383 7.5404 7.8978 7.9099 8.6046 8.6138 k = 0.6758 0.0771-0.2022 ( 7958 PWs) bands (ev): -9.5502 -9.5501 -8.4416 -8.4416 -7.2991 -7.2990 -7.1206 -7.1204 -6.9678 -6.9676 -6.8466 -6.8465 -4.3283 -4.3281 -2.6176 -2.6163 0.0741 0.0786 0.2798 0.2891 0.6102 0.6594 0.7207 0.7654 1.4193 1.4263 2.6110 2.6403 2.6940 2.7232 2.8121 2.8540 3.0579 3.0818 3.3404 3.4210 3.4719 3.5186 3.6074 3.6637 3.8728 3.8887 4.0424 4.0672 4.1857 4.1863 4.4027 4.4210 4.6747 4.6885 5.8163 5.8258 6.0416 6.0519 6.1062 6.1116 6.3493 6.3565 6.4852 6.5047 6.5118 6.5205 6.7325 6.7490 7.1858 7.1872 7.3562 7.3610 7.5263 7.5273 7.9242 7.9358 8.6140 8.6238 k = 0.6661 0.0855-0.1826 ( 7960 PWs) bands (ev): -9.5594 -9.5594 -8.4591 -8.4590 -7.2763 -7.2762 -7.1045 -7.1043 -6.9510 -6.9507 -6.8388 -6.8386 -4.3551 -4.3549 -2.6351 -2.6339 0.0654 0.0695 0.2785 0.2885 0.5900 0.6404 0.7037 0.7489 1.3760 1.3827 2.6150 2.6447 2.7128 2.7513 2.8245 2.8632 3.0642 3.0896 3.3787 3.4539 3.4998 3.5399 3.6088 3.6676 3.8682 3.8814 4.0260 4.0533 4.1794 4.1819 4.3812 4.3981 4.6855 4.6972 5.8493 5.8588 6.0527 6.0646 6.1139 6.1205 6.3471 6.3545 6.4881 6.5008 6.5126 6.5249 6.7377 6.7530 7.1838 7.1855 7.3548 7.3603 7.5147 7.5153 7.9476 7.9587 8.6229 8.6330 k = 0.6563 0.0939-0.1629 ( 7954 PWs) bands (ev): -9.5688 -9.5688 -8.4761 -8.4761 -7.2524 -7.2522 -7.0890 -7.0887 -6.9340 -6.9337 -6.8311 -6.8310 -4.3825 -4.3823 -2.6524 -2.6511 0.0568 0.0606 0.2785 0.2893 0.5698 0.6203 0.6884 0.7330 1.3294 1.3358 2.5935 2.6171 2.7413 2.7775 2.8448 2.8774 3.0812 3.1081 3.4077 3.4647 3.5416 3.5767 3.6232 3.6797 3.8674 3.8777 4.0121 4.0420 4.1732 4.1792 4.3574 4.3736 4.7007 4.7103 5.8808 5.8902 6.0633 6.0774 6.1200 6.1285 6.3452 6.3527 6.4875 6.4955 6.5142 6.5281 6.7478 6.7614 7.1814 7.1835 7.3511 7.3576 7.5035 7.5053 7.9674 7.9782 8.6308 8.6409 k = 0.6465 0.1024-0.1433 ( 7956 PWs) bands (ev): -9.5782 -9.5782 -8.4927 -8.4926 -7.2276 -7.2274 -7.0740 -7.0738 -6.9169 -6.9166 -6.8236 -6.8235 -4.4105 -4.4103 -2.6692 -2.6680 0.0483 0.0518 0.2796 0.2912 0.5497 0.5983 0.6765 0.7186 1.2809 1.2870 2.5540 2.5725 2.7670 2.7952 2.8741 2.8973 3.1058 3.1348 3.4184 3.4607 3.5851 3.6129 3.6693 3.7032 3.8731 3.8794 4.0005 4.0335 4.1674 4.1780 4.3317 4.3480 4.7195 4.7275 5.9103 5.9195 6.0734 6.0902 6.1245 6.1356 6.3434 6.3511 6.4839 6.4893 6.5154 6.5289 6.7636 6.7752 7.1789 7.1814 7.3448 7.3525 7.4940 7.4972 7.9832 7.9940 8.6373 8.6470 k = 0.6368 0.1108-0.1237 ( 7962 PWs) bands (ev): -9.5875 -9.5875 -8.5086 -8.5086 -7.2022 -7.2020 -7.0598 -7.0595 -6.9000 -6.8997 -6.8163 -6.8162 -4.4387 -4.4385 -2.6854 -2.6842 0.0400 0.0432 0.2817 0.2939 0.5293 0.5743 0.6689 0.7067 1.2317 1.2375 2.5027 2.5175 2.7872 2.8064 2.9081 2.9224 3.1345 3.1664 3.4129 3.4491 3.6215 3.6435 3.7297 3.7439 3.8890 3.8921 3.9918 4.0287 4.1621 4.1785 4.3047 4.3219 4.7416 4.7481 5.9374 5.9462 6.0825 6.1028 6.1277 6.1423 6.3418 6.3497 6.4783 6.4824 6.5146 6.5264 6.7853 6.7950 7.1761 7.1789 7.3359 7.3448 7.4867 7.4912 7.9946 8.0060 8.6420 8.6509 k = 0.6270 0.1192-0.1041 ( 7962 PWs) bands (ev): -9.5967 -9.5966 -8.5239 -8.5238 -7.1764 -7.1762 -7.0463 -7.0461 -6.8834 -6.8831 -6.8093 -6.8092 -4.4669 -4.4667 -2.7009 -2.6998 0.0318 0.0348 0.2843 0.2970 0.5087 0.5490 0.6656 0.6981 1.1827 1.1882 2.4442 2.4562 2.8020 2.8143 2.9426 2.9524 3.1646 3.2000 3.3979 3.4344 3.6457 3.6777 3.7615 3.8027 3.9164 3.9294 3.9885 4.0304 4.1578 4.1812 4.2782 4.2967 4.7661 4.7715 5.9619 5.9702 6.0904 6.1143 6.1307 6.1490 6.3402 6.3483 6.4714 6.4749 6.5110 6.5208 6.8127 6.8209 7.1728 7.1759 7.3247 7.3348 7.4822 7.4876 8.0010 8.0136 8.6446 8.6524 k = 0.6172 0.1277-0.0845 ( 7960 PWs) bands (ev): -9.6055 -9.6054 -8.5383 -8.5383 -7.1507 -7.1505 -7.0337 -7.0334 -6.8673 -6.8670 -6.8025 -6.8024 -4.4947 -4.4946 -2.7156 -2.7146 0.0239 0.0267 0.2872 0.3002 0.4879 0.5231 0.6663 0.6934 1.1349 1.1402 2.3813 2.3913 2.8126 2.8204 2.9756 2.9865 3.1936 3.2331 3.3788 3.4195 3.6651 3.7075 3.7810 3.8376 3.9508 3.9726 4.0099 4.0486 4.1558 4.1871 4.2560 4.2745 4.7926 4.7971 5.9835 5.9912 6.0965 6.1215 6.1365 6.1562 6.3387 6.3470 6.4636 6.4671 6.5042 6.5124 6.8453 6.8527 7.1689 7.1721 7.3118 7.3230 7.4807 7.4868 8.0017 8.0163 8.6447 8.6513 k = 0.6074 0.1361-0.0649 ( 7962 PWs) bands (ev): -9.6140 -9.6139 -8.5518 -8.5518 -7.1253 -7.1251 -7.0219 -7.0217 -6.8518 -6.8515 -6.7961 -6.7960 -4.5221 -4.5219 -2.7294 -2.7285 0.0163 0.0188 0.2901 0.3030 0.4673 0.4975 0.6707 0.6926 1.0890 1.0940 2.3163 2.3247 2.8201 2.8251 3.0075 3.0222 3.2193 3.2629 3.3604 3.4070 3.6816 3.7300 3.7946 3.8544 3.9612 3.9931 4.0625 4.0880 4.1617 4.2020 4.2499 4.2620 4.8205 4.8243 6.0023 6.0091 6.1004 6.1225 6.1467 6.1639 6.3371 6.3457 6.4551 6.4590 6.4945 6.5017 6.8823 6.8897 7.1641 7.1675 7.2980 7.3101 7.4823 7.4886 7.9964 8.0136 8.6420 8.6478 k = 0.5977 0.1445-0.0453 ( 7966 PWs) bands (ev): -9.6220 -9.6219 -8.5644 -8.5644 -7.1006 -7.1003 -7.0110 -7.0108 -6.8370 -6.8367 -6.7901 -6.7899 -4.5485 -4.5483 -2.7423 -2.7414 0.0091 0.0114 0.2928 0.3052 0.4473 0.4728 0.6782 0.6956 1.0457 1.0505 2.2508 2.2578 2.8254 2.8289 3.0384 3.0574 3.2402 3.2841 3.3497 3.3994 3.6952 3.7446 3.8064 3.8623 3.9640 4.0039 4.0800 4.1144 4.1752 4.2205 4.2837 4.2917 4.8492 4.8526 6.0183 6.0243 6.1021 6.1208 6.1576 6.1718 6.3353 6.3442 6.4462 6.4510 6.4823 6.4895 6.9228 6.9308 7.1585 7.1619 7.2842 7.2974 7.4869 7.4930 7.9848 8.0048 8.6359 8.6420 k = 0.5879 0.1530-0.0257 ( 7968 PWs) bands (ev): -9.6295 -9.6294 -8.5760 -8.5760 -7.0768 -7.0766 -7.0012 -7.0009 -6.8232 -6.8229 -6.7844 -6.7843 -4.5737 -4.5736 -2.7541 -2.7533 0.0023 0.0044 0.2950 0.3065 0.4286 0.4497 0.6885 0.7021 1.0057 1.0102 2.1861 2.1921 2.8290 2.8318 3.0666 3.0904 3.2557 3.2895 3.3558 3.3986 3.7063 3.7529 3.8166 3.8643 3.9638 4.0100 4.0733 4.1132 4.1879 4.2203 4.3648 4.3699 4.8785 4.8815 6.0319 6.0368 6.1018 6.1176 6.1671 6.1790 6.3334 6.3426 6.4368 6.4430 6.4683 6.4765 6.9656 6.9744 7.1521 7.1556 7.2720 7.2862 7.4939 7.4997 7.9668 7.9897 8.6264 8.6340 k = 0.5781 0.1614-0.0061 ( 7964 PWs) bands (ev): -9.6363 -9.6363 -8.5865 -8.5865 -7.0544 -7.0541 -6.9923 -6.9921 -6.8104 -6.8101 -6.7792 -6.7790 -4.5974 -4.5973 -2.7648 -2.7641 -0.0039 -0.0021 0.2965 0.3066 0.4116 0.4285 0.7009 0.7112 0.9695 0.9736 2.1236 2.1287 2.8316 2.8341 3.0898 3.1182 3.2679 3.2882 3.3735 3.4042 3.7153 3.7574 3.8237 3.8622 3.9563 4.0032 4.0698 4.1094 4.1990 4.2201 4.4599 4.4631 4.9080 4.9108 6.0432 6.0471 6.0999 6.1136 6.1743 6.1845 6.3313 6.3406 6.4270 6.4345 6.4541 6.4638 7.0083 7.0181 7.1452 7.1489 7.2637 7.2792 7.5030 7.5082 7.9425 7.9682 8.6137 8.6234 k = 0.5684 0.1698 0.0135 ( 7968 PWs) bands (ev): -9.6426 -9.6425 -8.5959 -8.5959 -7.0336 -7.0334 -6.9844 -6.9842 -6.7988 -6.7985 -6.7744 -6.7743 -4.6193 -4.6192 -2.7743 -2.7737 -0.0096 -0.0080 0.2971 0.3054 0.3969 0.4099 0.7144 0.7221 0.9377 0.9414 2.0643 2.0686 2.8334 2.8357 3.1057 3.1363 3.2804 3.2958 3.3930 3.4139 3.7223 3.7596 3.8275 3.8576 3.9388 3.9794 4.0792 4.1126 4.2100 4.2230 4.5558 4.5577 4.9376 4.9401 6.0524 6.0554 6.0967 6.1088 6.1782 6.1873 6.3291 6.3384 6.4166 6.4243 6.4422 6.4523 7.0475 7.0578 7.1380 7.1421 7.2630 7.2799 7.5133 7.5179 7.9125 7.9403 8.5983 8.6100 k = 0.5586 0.1783 0.0331 ( 7958 PWs) bands (ev): -9.6481 -9.6480 -8.6041 -8.6041 -7.0148 -7.0146 -6.9775 -6.9774 -6.7885 -6.7882 -6.7702 -6.7701 -4.6391 -4.6390 -2.7827 -2.7821 -0.0146 -0.0133 0.2966 0.3029 0.3848 0.3942 0.7281 0.7336 0.9109 0.9141 2.0093 2.0129 2.8347 2.8369 3.1135 3.1422 3.2997 3.3150 3.4108 3.4252 3.7273 3.7599 3.8286 3.8520 3.9139 3.9478 4.0941 4.1211 4.2215 4.2290 4.6466 4.6479 4.9676 4.9697 6.0596 6.0619 6.0927 6.1037 6.1784 6.1866 6.3271 6.3359 6.4058 6.4118 6.4343 6.4430 7.0782 7.0876 7.1309 7.1355 7.2755 7.2935 7.5242 7.5283 7.8773 7.9065 8.5808 8.5941 k = 0.5488 0.1867 0.0527 ( 7950 PWs) bands (ev): -9.6528 -9.6528 -8.6111 -8.6111 -6.9983 -6.9981 -6.9717 -6.9716 -6.7796 -6.7793 -6.7666 -6.7664 -4.6564 -4.6563 -2.7898 -2.7893 -0.0190 -0.0179 0.2951 0.2993 0.3753 0.3815 0.7406 0.7442 0.8898 0.8925 1.9599 1.9628 2.8357 2.8376 3.1151 3.1388 3.3277 3.3417 3.4259 3.4362 3.7295 3.7577 3.8279 3.8461 3.8862 3.9148 4.1092 4.1308 4.2333 4.2373 4.7279 4.7290 4.9982 5.0000 6.0646 6.0671 6.0880 6.0982 6.1747 6.1819 6.3254 6.3332 6.3955 6.3992 6.4294 6.4361 7.0968 7.1038 7.1243 7.1293 7.3046 7.3234 7.5346 7.5390 7.8376 7.8673 8.5623 8.5761 k = 0.5391 0.1951 0.0723 ( 7966 PWs) bands (ev): -9.6567 -9.6567 -8.6169 -8.6169 -6.9845 -6.9843 -6.9669 -6.9668 -6.7722 -6.7720 -6.7634 -6.7633 -4.6710 -4.6709 -2.7956 -2.7952 -0.0226 -0.0217 0.2928 0.2951 0.3684 0.3721 0.7503 0.7524 0.8750 0.8771 1.9171 1.9194 2.8364 2.8380 3.1130 3.1312 3.3604 3.3720 3.4384 3.4460 3.7278 3.7514 3.8263 3.8405 3.8606 3.8843 4.1224 4.1392 4.2448 4.2466 4.7959 4.7969 5.0299 5.0311 6.0678 6.0708 6.0831 6.0923 6.1679 6.1741 6.3242 6.3306 6.3864 6.3884 6.4262 6.4312 7.1048 7.1092 7.1184 7.1235 7.3472 7.3676 7.5437 7.5495 7.7942 7.8232 8.5440 8.5572 k = 0.5293 0.2036 0.0919 ( 7972 PWs) bands (ev): -9.6598 -9.6598 -8.6214 -8.6214 -6.9734 -6.9733 -6.9632 -6.9631 -6.7665 -6.7663 -6.7609 -6.7608 -4.6826 -4.6825 -2.8002 -2.7999 -0.0254 -0.0247 0.2900 0.2910 0.3635 0.3656 0.7565 0.7574 0.8665 0.8681 1.8822 1.8839 2.8370 2.8383 3.1099 3.1228 3.3937 3.4022 3.4483 3.4544 3.7211 3.7389 3.8247 3.8356 3.8416 3.8596 4.1330 4.1454 4.2552 4.2559 4.8477 4.8486 5.0617 5.0624 6.0694 6.0728 6.0784 6.0861 6.1598 6.1648 6.3235 6.3283 6.3793 6.3801 6.4243 6.4278 7.1067 7.1090 7.1137 7.1182 7.3972 7.4205 7.5512 7.5598 7.7479 7.7748 8.5276 8.5390 k = 0.5195 0.2120 0.1115 ( 7978 PWs) bands (ev): -9.6620 -9.6620 -8.6247 -8.6246 -6.9655 -6.9654 -6.9603 -6.9603 -6.7625 -6.7624 -6.7588 -6.7587 -4.6910 -4.6910 -2.8034 -2.8032 -0.0274 -0.0270 0.2874 0.2877 0.3603 0.3614 0.7591 0.7594 0.8631 0.8642 1.8563 1.8575 2.8374 2.8383 3.1072 3.1155 3.4233 3.4278 3.4562 3.4618 3.7101 3.7217 3.8239 3.8306 3.8315 3.8425 4.1409 4.1490 4.2633 4.2635 4.8828 4.8834 5.0903 5.0905 6.0696 6.0729 6.0751 6.0798 6.1527 6.1563 6.3232 6.3264 6.3743 6.3746 6.4234 6.4256 7.1062 7.1070 7.1106 7.1139 7.4490 7.4762 7.5573 7.5703 7.6998 7.7228 8.5150 8.5234 k = 0.5098 0.2204 0.1311 ( 7984 PWs) bands (ev): -9.6634 -9.6634 -8.6266 -8.6266 -6.9611 -6.9611 -6.9582 -6.9582 -6.7604 -6.7604 -6.7572 -6.7572 -4.6962 -4.6962 -2.8053 -2.8052 -0.0286 -0.0284 0.2855 0.2856 0.3586 0.3591 0.7597 0.7597 0.8625 0.8630 1.8405 1.8411 2.8378 2.8382 3.1060 3.1100 3.4429 3.4437 3.4640 3.4686 3.6996 3.7053 3.8244 3.8260 3.8282 3.8326 4.1463 4.1504 4.2685 4.2686 4.9027 4.9030 5.1105 5.1106 6.0688 6.0715 6.0742 6.0750 6.1484 6.1503 6.3234 6.3250 6.3714 6.3714 6.4231 6.4241 7.1050 7.1051 7.1091 7.1109 7.4960 7.5217 7.5696 7.5839 7.6522 7.6682 8.5077 8.5121 k = 0.5000 0.2289 0.1507 ( 7964 PWs) bands (ev): -9.6638 -9.6638 -8.6272 -8.6272 -6.9599 -6.9599 -6.9572 -6.9572 -6.7598 -6.7598 -6.7566 -6.7566 -4.6979 -4.6979 -2.8059 -2.8059 -0.0289 -0.0289 0.2848 0.2848 0.3582 0.3582 0.7597 0.7597 0.8627 0.8627 1.8353 1.8353 2.8380 2.8380 3.1069 3.1069 3.4485 3.4485 3.4704 3.4704 3.6968 3.6968 3.8251 3.8251 3.8278 3.8278 4.1495 4.1495 4.2704 4.2704 4.9091 4.9091 5.1178 5.1178 6.0693 6.0693 6.0739 6.0739 6.1476 6.1476 6.3240 6.3240 6.3704 6.3704 6.4234 6.4234 7.1045 7.1045 7.1093 7.1093 7.5257 7.5257 7.6055 7.6055 7.6175 7.6175 8.5067 8.5067 k = 0.5000 0.2289 0.1507 ( 7964 PWs) bands (ev): -9.6638 -9.6638 -8.6272 -8.6272 -6.9599 -6.9599 -6.9572 -6.9572 -6.7598 -6.7598 -6.7566 -6.7566 -4.6979 -4.6979 -2.8059 -2.8059 -0.0289 -0.0289 0.2848 0.2848 0.3582 0.3582 0.7597 0.7597 0.8627 0.8627 1.8353 1.8353 2.8380 2.8380 3.1069 3.1069 3.4485 3.4485 3.4704 3.4704 3.6968 3.6968 3.8251 3.8251 3.8278 3.8278 4.1495 4.1495 4.2704 4.2704 4.9091 4.9091 5.1178 5.1178 6.0693 6.0693 6.0739 6.0739 6.1476 6.1476 6.3240 6.3240 6.3704 6.3704 6.4234 6.4234 7.1045 7.1045 7.1093 7.1093 7.5257 7.5257 7.6055 7.6055 7.6175 7.6175 8.5067 8.5067 k = 0.4792 0.2193 0.1444 ( 7982 PWs) bands (ev): -9.6643 -9.6643 -8.6264 -8.6264 -6.9606 -6.9591 -6.9579 -6.9564 -6.7607 -6.7589 -6.7575 -6.7558 -4.6986 -4.6986 -2.8058 -2.8058 -0.0298 -0.0297 0.2786 0.2898 0.3518 0.3633 0.7549 0.7650 0.8578 0.8683 1.8355 1.8360 2.8340 2.8371 3.1064 3.1116 3.4467 3.4507 3.4683 3.4729 3.6993 3.7001 3.8178 3.8205 3.8343 3.8369 4.1478 4.1506 4.2687 4.2713 4.9073 4.9118 5.1161 5.1202 6.0685 6.0697 6.0730 6.0746 6.1472 6.1475 6.3238 6.3242 6.3699 6.3711 6.4230 6.4238 7.1012 7.1061 7.1094 7.1140 7.5242 7.5273 7.6041 7.6072 7.6161 7.6179 8.5046 8.5068 k = 0.4583 0.2098 0.1381 ( 7989 PWs) bands (ev): -9.6656 -9.6656 -8.6240 -8.6240 -6.9612 -6.9586 -6.9582 -6.9555 -6.7617 -6.7585 -6.7582 -6.7550 -4.7007 -4.7007 -2.8052 -2.8052 -0.0322 -0.0321 0.2712 0.2933 0.3442 0.3669 0.7510 0.7709 0.8537 0.8743 1.8366 1.8374 2.8260 2.8316 3.1100 3.1197 3.4453 3.4533 3.4666 3.4757 3.7079 3.7092 3.8125 3.8153 3.8450 3.8476 4.1457 4.1511 4.2665 4.2715 4.9063 4.9151 5.1149 5.1231 6.0673 6.0698 6.0720 6.0752 6.1465 6.1469 6.3237 6.3245 6.3694 6.3719 6.4227 6.4243 7.0996 7.1047 7.1159 7.1203 7.5231 7.5293 7.6028 7.6090 7.6137 7.6173 8.5008 8.5050 k = 0.4375 0.2003 0.1318 ( 7971 PWs) bands (ev): -9.6679 -9.6679 -8.6201 -8.6201 -6.9617 -6.9591 -6.9572 -6.9545 -6.7627 -6.7596 -6.7575 -6.7543 -4.7042 -4.7042 -2.8044 -2.8043 -0.0363 -0.0361 0.2629 0.2952 0.3357 0.3689 0.7479 0.7770 0.8505 0.8806 1.8385 1.8396 2.8156 2.8228 3.1159 3.1290 3.4446 3.4562 3.4656 3.4789 3.7227 3.7238 3.8091 3.8125 3.8571 3.8595 4.1433 4.1511 4.2637 4.2711 4.9061 4.9192 5.1144 5.1266 6.0659 6.0696 6.0710 6.0758 6.1453 6.1460 6.3236 6.3249 6.3691 6.3728 6.4225 6.4249 7.0997 7.1050 7.1238 7.1281 7.5223 7.5315 7.6018 7.6103 7.6110 7.6157 8.4950 8.5013 k = 0.4167 0.1907 0.1256 ( 7965 PWs) bands (ev): -9.6709 -9.6709 -8.6146 -8.6146 -6.9621 -6.9595 -6.9562 -6.9535 -6.7638 -6.7607 -6.7569 -6.7538 -4.7090 -4.7090 -2.8031 -2.8031 -0.0419 -0.0416 0.2539 0.2955 0.3265 0.3693 0.7458 0.7832 0.8482 0.8870 1.8412 1.8425 2.8046 2.8124 3.1223 3.1375 3.4448 3.4597 3.4654 3.4825 3.7434 3.7441 3.8075 3.8127 3.8702 3.8721 4.1406 4.1506 4.2604 4.2700 4.9067 4.9239 5.1145 5.1305 6.0642 6.0689 6.0699 6.0761 6.1437 6.1446 6.3237 6.3253 6.3689 6.3737 6.4224 6.4256 7.1015 7.1069 7.1329 7.1370 7.5218 7.5339 7.6011 7.6059 7.6131 7.6132 8.4873 8.4955 k = 0.3958 0.1812 0.1193 ( 7971 PWs) bands (ev): -9.6747 -9.6747 -8.6079 -8.6078 -6.9624 -6.9597 -6.9551 -6.9524 -6.7649 -6.7617 -6.7565 -6.7533 -4.7151 -4.7150 -2.8016 -2.8016 -0.0489 -0.0486 0.2444 0.2942 0.3168 0.3681 0.7446 0.7893 0.8469 0.8933 1.8445 1.8460 2.7946 2.8023 3.1273 3.1433 3.4459 3.4638 3.4662 3.4867 3.7660 3.7720 3.8077 3.8179 3.8838 3.8852 4.1379 4.1496 4.2567 4.2682 4.9081 4.9292 5.1152 5.1348 6.0621 6.0677 6.0688 6.0763 6.1416 6.1428 6.3237 6.3257 6.3687 6.3747 6.4223 6.4263 7.1049 7.1104 7.1430 7.1468 7.5215 7.5366 7.6007 7.6008 7.6097 7.6156 8.4776 8.4875 k = 0.3750 0.1717 0.1130 ( 7983 PWs) bands (ev): -9.6791 -9.6791 -8.5998 -8.5998 -6.9625 -6.9598 -6.9540 -6.9513 -6.7659 -6.7628 -6.7562 -6.7530 -4.7222 -4.7222 -2.7997 -2.7997 -0.0572 -0.0569 0.2346 0.2914 0.3068 0.3653 0.7443 0.7951 0.8465 0.8993 1.8485 1.8501 2.7866 2.7935 3.1296 3.1455 3.4482 3.4682 3.4688 3.4914 3.7855 3.8060 3.8092 3.8336 3.8975 3.8981 4.1354 4.1482 4.2527 4.2659 4.9103 4.9350 5.1164 5.1394 6.0597 6.0660 6.0676 6.0762 6.1390 6.1405 6.3238 6.3260 6.3686 6.3757 6.4223 6.4270 7.1097 7.1153 7.1538 7.1573 7.5216 7.5394 7.5947 7.6008 7.6055 7.6181 8.4659 8.4773 k = 0.3542 0.1621 0.1067 ( 7974 PWs) bands (ev): -9.6840 -9.6840 -8.5907 -8.5907 -6.9625 -6.9598 -6.9529 -6.9502 -6.7670 -6.7639 -6.7560 -6.7528 -4.7304 -4.7304 -2.7976 -2.7976 -0.0668 -0.0664 0.2247 0.2871 0.2967 0.3610 0.7448 0.8004 0.8470 0.9049 1.8531 1.8546 2.7815 2.7871 3.1286 3.1434 3.4518 3.4716 3.4748 3.4970 3.7968 3.8119 3.8453 3.8639 3.9106 3.9108 4.1335 4.1467 4.2486 4.2631 4.9132 4.9410 5.1181 5.1442 6.0569 6.0638 6.0666 6.0761 6.1361 6.1380 6.3240 6.3265 6.3685 6.3766 6.4223 6.4277 7.1158 7.1216 7.1651 7.1682 7.5219 7.5421 7.5882 7.6008 7.6013 7.6209 8.4522 8.4649 k = 0.3333 0.1526 0.1005 ( 7977 PWs) bands (ev): -9.6895 -9.6895 -8.5808 -8.5807 -6.9624 -6.9597 -6.9518 -6.9491 -6.7680 -6.7649 -6.7559 -6.7528 -4.7395 -4.7395 -2.7952 -2.7952 -0.0775 -0.0771 0.2149 0.2816 0.2868 0.3554 0.7460 0.8053 0.8482 0.9099 1.8581 1.8594 2.7795 2.7834 3.1242 3.1372 3.4569 3.4765 3.4821 3.5036 3.8036 3.8154 3.8881 3.9039 3.9226 3.9234 4.1327 4.1453 4.2445 4.2598 4.9167 4.9474 5.1203 5.1490 6.0536 6.0609 6.0656 6.0759 6.1329 6.1350 6.3242 6.3269 6.3684 6.3774 6.4223 6.4283 7.1231 7.1290 7.1766 7.1792 7.5221 7.5445 7.5816 7.5958 7.6022 7.6238 8.4364 8.4502 k = 0.3125 0.1430 0.0942 ( 7980 PWs) bands (ev): -9.6952 -9.6952 -8.5700 -8.5700 -6.9621 -6.9594 -6.9508 -6.9480 -6.7690 -6.7659 -6.7560 -6.7529 -4.7493 -4.7493 -2.7926 -2.7926 -0.0890 -0.0886 0.2055 0.2749 0.2771 0.3487 0.7478 0.8094 0.8500 0.9142 1.8636 1.8647 2.7809 2.7827 3.1167 3.1272 3.4635 3.4830 3.4908 3.5113 3.8090 3.8193 3.9241 3.9347 3.9426 3.9487 4.1336 4.1445 4.2405 4.2563 4.9208 4.9539 5.1228 5.1538 6.0498 6.0572 6.0646 6.0755 6.1292 6.1318 6.3244 6.3273 6.3683 6.3781 6.4222 6.4288 7.1315 7.1374 7.1880 7.1900 7.5221 7.5459 7.5755 7.5909 7.6035 7.6266 8.4188 8.4333 k = 0.2917 0.1335 0.0879 ( 7974 PWs) bands (ev): -9.7012 -9.7012 -8.5588 -8.5588 -6.9617 -6.9590 -6.9498 -6.9470 -6.7698 -6.7668 -6.7562 -6.7531 -4.7596 -4.7596 -2.7898 -2.7898 -0.1013 -0.1009 0.1964 0.2674 0.2678 0.3411 0.7501 0.8129 0.8522 0.9177 1.8695 1.8702 2.7850 2.7857 3.1065 3.1140 3.4718 3.4910 3.5010 3.5203 3.8139 3.8233 3.9352 3.9443 3.9862 3.9950 4.1374 4.1456 4.2369 4.2526 4.9256 4.9605 5.1257 5.1585 6.0453 6.0526 6.0638 6.0751 6.1254 6.1284 6.3246 6.3276 6.3681 6.3787 6.4222 6.4292 7.1406 7.1466 7.1991 7.2006 7.5214 7.5452 7.5711 7.5864 7.6050 7.6292 8.3995 8.4144 k = 0.2708 0.1240 0.0816 ( 7974 PWs) bands (ev): -9.7073 -9.7072 -8.5472 -8.5472 -6.9612 -6.9585 -6.9489 -6.9461 -6.7706 -6.7676 -6.7566 -6.7534 -4.7704 -4.7704 -2.7869 -2.7869 -0.1141 -0.1137 0.1879 0.2592 0.2592 0.3328 0.7527 0.8155 0.8548 0.9204 1.8757 1.8760 2.7899 2.7935 3.0941 3.0982 3.4817 3.5006 3.5128 3.5308 3.8183 3.8271 3.9402 3.9518 4.0305 4.0388 4.1465 4.1512 4.2337 4.2488 4.9309 4.9670 5.1289 5.1630 6.0401 6.0471 6.0631 6.0746 6.1215 6.1250 6.3248 6.3279 6.3678 6.3790 6.4220 6.4295 7.1505 7.1564 7.2097 7.2106 7.5198 7.5416 7.5691 7.5826 7.6065 7.6314 8.3787 8.3938 k = 0.2500 0.1144 0.0753 ( 7977 PWs) bands (ev): -9.7133 -9.7133 -8.5356 -8.5355 -6.9606 -6.9579 -6.9481 -6.9453 -6.7713 -6.7682 -6.7570 -6.7539 -4.7814 -4.7813 -2.7838 -2.7838 -0.1272 -0.1268 0.1800 0.2504 0.2512 0.3239 0.7555 0.8174 0.8577 0.9223 1.8821 1.8822 2.7970 2.8039 3.0804 3.0807 3.4931 3.5117 3.5262 3.5428 3.8221 3.8304 3.9422 3.9570 4.0669 4.0727 4.1653 4.1675 4.2310 4.2451 4.9367 4.9735 5.1322 5.1672 6.0339 6.0405 6.0625 6.0739 6.1176 6.1216 6.3251 6.3282 6.3674 6.3791 6.4218 6.4296 7.1608 7.1668 7.2197 7.2201 7.5171 7.5359 7.5686 7.5797 7.6079 7.6329 8.3568 8.3718 k = 0.2292 0.1049 0.0691 ( 7968 PWs) bands (ev): -9.7193 -9.7193 -8.5239 -8.5239 -6.9599 -6.9572 -6.9474 -6.9446 -6.7718 -6.7688 -6.7576 -6.7545 -4.7923 -4.7923 -2.7808 -2.7807 -0.1404 -0.1400 0.1730 0.2414 0.2440 0.3147 0.7585 0.8185 0.8607 0.9234 1.8884 1.8889 2.8057 2.8163 3.0621 3.0660 3.5060 3.5243 3.5411 3.5562 3.8251 3.8330 3.9414 3.9595 4.0904 4.0908 4.1974 4.1995 4.2289 4.2417 4.9430 4.9798 5.1358 5.1709 6.0269 6.0328 6.0621 6.0733 6.1139 6.1183 6.3252 6.3284 6.3669 6.3789 6.4215 6.4295 7.1716 7.1776 7.2290 7.2291 7.5135 7.5294 7.5683 7.5774 7.6088 7.6335 8.3341 8.3487 k = 0.2083 0.0954 0.0628 ( 7971 PWs) bands (ev): -9.7251 -9.7251 -8.5126 -8.5125 -6.9591 -6.9563 -6.9468 -6.9440 -6.7722 -6.7692 -6.7583 -6.7552 -4.8032 -4.8031 -2.7777 -2.7777 -0.1534 -0.1530 0.1667 0.2321 0.2376 0.3053 0.7616 0.8188 0.8638 0.9236 1.8950 1.8958 2.8153 2.8299 3.0433 3.0518 3.5202 3.5382 3.5574 3.5710 3.8271 3.8346 3.9380 3.9594 4.0978 4.1036 4.2273 4.2386 4.2388 4.2416 4.9497 4.9858 5.1395 5.1742 6.0188 6.0241 6.0618 6.0727 6.1105 6.1153 6.3253 6.3285 6.3663 6.3784 6.4212 6.4292 7.1826 7.1888 7.2376 7.2376 7.5093 7.5232 7.5674 7.5752 7.6089 7.6328 8.3111 8.3250 k = 0.1875 0.0858 0.0565 ( 7965 PWs) bands (ev): -9.7306 -9.7306 -8.5016 -8.5016 -6.9582 -6.9554 -6.9463 -6.9435 -6.7725 -6.7695 -6.7591 -6.7560 -4.8136 -4.8136 -2.7747 -2.7747 -0.1660 -0.1657 0.1614 0.2229 0.2322 0.2958 0.7647 0.8184 0.8670 0.9232 1.9017 1.9028 2.8248 2.8437 3.0252 3.0386 3.5357 3.5532 3.5748 3.5869 3.8280 3.8352 3.9324 3.9565 4.1003 4.1117 4.2260 4.2361 4.2832 4.2864 4.9568 4.9916 5.1433 5.1769 6.0098 6.0144 6.0616 6.0720 6.1076 6.1125 6.3255 6.3286 6.3658 6.3777 6.4209 6.4288 7.1938 7.2002 7.2456 7.2456 7.5050 7.5177 7.5652 7.5727 7.6081 7.6307 8.2882 8.3013 k = 0.1667 0.0763 0.0502 ( 7968 PWs) bands (ev): -9.7357 -9.7357 -8.4913 -8.4913 -6.9572 -6.9544 -6.9460 -6.9432 -6.7726 -6.7696 -6.7600 -6.7569 -4.8235 -4.8235 -2.7718 -2.7718 -0.1780 -0.1777 0.1570 0.2138 0.2278 0.2865 0.7679 0.8173 0.8703 0.9220 1.9084 1.9098 2.8333 2.8565 3.0091 3.0273 3.5520 3.5691 3.5929 3.6038 3.8277 3.8347 3.9248 3.9511 4.1013 4.1170 4.2250 4.2343 4.3268 4.3303 4.9642 4.9970 5.1471 5.1791 6.0000 6.0039 6.0616 6.0713 6.1050 6.1100 6.3256 6.3285 6.3652 6.3768 6.4205 6.4281 7.2051 7.2117 7.2529 7.2532 7.5011 7.5132 7.5616 7.5696 7.6062 7.6272 8.2658 8.2778 k = 0.1458 0.0668 0.0439 ( 7959 PWs) bands (ev): -9.7404 -9.7404 -8.4818 -8.4818 -6.9562 -6.9534 -6.9459 -6.9431 -6.7726 -6.7696 -6.7609 -6.7578 -4.8328 -4.8327 -2.7691 -2.7691 -0.1892 -0.1889 0.1536 0.2049 0.2244 0.2775 0.7711 0.8157 0.8736 0.9202 1.9150 1.9166 2.8399 2.8667 2.9964 3.0186 3.5691 3.5857 3.6114 3.6211 3.8262 3.8333 3.9156 3.9432 4.1020 4.1207 4.2241 4.2330 4.3678 4.3714 4.9719 5.0019 5.1509 5.1806 5.9898 5.9931 6.0619 6.0706 6.1031 6.1079 6.3256 6.3284 6.3646 6.3755 6.4201 6.4273 7.2162 7.2233 7.2594 7.2605 7.4978 7.5098 7.5567 7.5656 7.6034 7.6223 8.2445 8.2553 k = 0.1250 0.0572 0.0377 ( 7959 PWs) bands (ev): -9.7446 -9.7446 -8.4732 -8.4732 -6.9551 -6.9523 -6.9459 -6.9431 -6.7724 -6.7694 -6.7619 -6.7589 -4.8411 -4.8411 -2.7666 -2.7666 -0.1993 -0.1991 0.1512 0.1964 0.2220 0.2688 0.7744 0.8136 0.8769 0.9180 1.9214 1.9231 2.8442 2.8725 2.9887 3.0129 3.5865 3.6027 3.6295 3.6385 3.8236 3.8312 3.9049 3.9332 4.1028 4.1229 4.2235 4.2321 4.4049 4.4084 4.9796 5.0064 5.1548 5.1815 5.9795 5.9822 6.0621 6.0699 6.1015 6.1060 6.3257 6.3283 6.3642 6.3742 6.4198 6.4264 7.2272 7.2348 7.2652 7.2673 7.4951 7.5075 7.5508 7.5609 7.5996 7.6163 8.2247 8.2342 k = 0.1042 0.0477 0.0314 ( 7962 PWs) bands (ev): -9.7483 -9.7483 -8.4657 -8.4657 -6.9540 -6.9513 -6.9461 -6.9432 -6.7720 -6.7690 -6.7630 -6.7599 -4.8484 -4.8484 -2.7644 -2.7644 -0.2082 -0.2080 0.1499 0.1884 0.2207 0.2606 0.7776 0.8110 0.8803 0.9152 1.9274 1.9290 2.8461 2.8731 2.9866 3.0101 3.6040 3.6198 3.6466 3.6551 3.8205 3.8291 3.8931 3.9214 4.1041 4.1239 4.2232 4.2313 4.4373 4.4407 4.9872 5.0102 5.1586 5.1818 5.9695 5.9717 6.0625 6.0691 6.1003 6.1044 6.3259 6.3281 6.3639 6.3727 6.4197 6.4254 7.2378 7.2461 7.2703 7.2737 7.4932 7.5060 7.5445 7.5556 7.5953 7.6095 8.2069 8.2149 k = 0.0833 0.0381 0.0251 ( 7965 PWs) bands (ev): -9.7513 -9.7513 -8.4594 -8.4594 -6.9530 -6.9502 -6.9464 -6.9435 -6.7715 -6.7685 -6.7641 -6.7610 -4.8546 -4.8546 -2.7625 -2.7625 -0.2157 -0.2156 0.1496 0.1810 0.2204 0.2529 0.7810 0.8081 0.8838 0.9122 1.9327 1.9341 2.8463 2.8694 2.9892 3.0095 3.6212 3.6364 3.6613 3.6701 3.8176 3.8277 3.8804 3.9080 4.1058 4.1239 4.2232 4.2305 4.4646 4.4676 4.9944 5.0133 5.1622 5.1815 5.9605 5.9622 6.0629 6.0684 6.0996 6.1030 6.3261 6.3279 6.3638 6.3712 6.4196 6.4244 7.2477 7.2567 7.2742 7.2791 7.4919 7.5046 7.5387 7.5502 7.5910 7.6025 8.1915 8.1981 k = 0.0625 0.0286 0.0188 ( 7968 PWs) bands (ev): -9.7537 -9.7537 -8.4544 -8.4544 -6.9519 -6.9491 -6.9468 -6.9440 -6.7709 -6.7679 -6.7652 -6.7622 -4.8596 -4.8596 -2.7610 -2.7610 -0.2217 -0.2216 0.1503 0.1741 0.2212 0.2459 0.7844 0.8050 0.8873 0.9089 1.9371 1.9383 2.8457 2.8635 2.9943 3.0099 3.6374 3.6522 3.6725 3.6820 3.8159 3.8284 3.8671 3.8936 4.1081 4.1229 4.2237 4.2297 4.4863 4.4887 5.0010 5.0153 5.1658 5.1806 5.9529 5.9541 6.0635 6.0677 6.0991 6.1018 6.3262 6.3276 6.3639 6.3697 6.4196 6.4234 7.2567 7.2663 7.2769 7.2834 7.4911 7.5026 7.5345 7.5452 7.5871 7.5959 8.1792 8.1842 k = 0.0417 0.0191 0.0126 ( 7974 PWs) bands (ev): -9.7555 -9.7555 -8.4508 -8.4508 -6.9509 -6.9480 -6.9474 -6.9446 -6.7702 -6.7672 -6.7663 -6.7633 -4.8632 -4.8631 -2.7599 -2.7599 -0.2261 -0.2260 0.1520 0.1680 0.2230 0.2396 0.7878 0.8017 0.8909 0.9054 1.9405 1.9413 2.8454 2.8573 2.9999 3.0103 3.6522 3.6666 3.6786 3.6894 3.8168 3.8322 3.8538 3.8788 4.1106 4.1212 4.2244 4.2287 4.5020 4.5038 5.0066 5.0163 5.1691 5.1792 5.9471 5.9479 6.0641 6.0669 6.0990 6.1008 6.3263 6.3273 6.3643 6.3682 6.4199 6.4224 7.2644 7.2745 7.2781 7.2861 7.4910 7.4997 7.5326 7.5407 7.5843 7.5902 8.1702 8.1736 k = 0.0208 0.0095 0.0063 ( 7965 PWs) bands (ev): -9.7565 -9.7565 -8.4486 -8.4486 -6.9499 -6.9482 -6.9471 -6.9453 -6.7693 -6.7674 -6.7663 -6.7643 -4.8653 -4.8653 -2.7593 -2.7593 -0.2287 -0.2287 0.1546 0.1627 0.2257 0.2341 0.7913 0.7983 0.8945 0.9018 1.9427 1.9431 2.8460 2.8519 3.0047 3.0099 3.6648 3.6786 3.6791 3.6912 3.8214 3.8398 3.8410 3.8642 4.1134 4.1189 4.2254 4.2276 4.5118 4.5127 5.0111 5.0160 5.1721 5.1773 5.9436 5.9440 6.0648 6.0662 6.0991 6.1001 6.3265 6.3270 6.3649 6.3670 6.4203 6.4216 7.2706 7.2775 7.2809 7.2867 7.4918 7.4965 7.5327 7.5371 7.5830 7.5860 8.1650 8.1667 k = 0.0000 0.0000 0.0000 ( 7965 PWs) bands (ev): -9.7569 -9.7569 -8.4479 -8.4479 -6.9490 -6.9490 -6.9461 -6.9461 -6.7684 -6.7684 -6.7653 -6.7653 -4.8661 -4.8661 -2.7591 -2.7591 -0.2296 -0.2296 0.1582 0.1582 0.2295 0.2295 0.7948 0.7948 0.8981 0.8981 1.9436 1.9436 2.8481 2.8481 3.0081 3.0081 3.6742 3.6742 3.6872 3.6872 3.8298 3.8298 3.8508 3.8508 4.1163 4.1163 4.2265 4.2265 4.5154 4.5154 5.0142 5.0142 5.1749 5.1749 5.9426 5.9426 6.0655 6.0655 6.0995 6.0995 6.3268 6.3268 6.3658 6.3658 6.4208 6.4208 7.2750 7.2750 7.2850 7.2850 7.4936 7.4936 7.5344 7.5344 7.5835 7.5835 8.1638 8.1638 k = 0.0000 0.0000 0.0000 ( 7965 PWs) bands (ev): -9.7569 -9.7569 -8.4479 -8.4479 -6.9490 -6.9490 -6.9461 -6.9461 -6.7684 -6.7684 -6.7653 -6.7653 -4.8661 -4.8661 -2.7591 -2.7591 -0.2296 -0.2296 0.1582 0.1582 0.2295 0.2295 0.7948 0.7948 0.8981 0.8981 1.9436 1.9436 2.8481 2.8481 3.0081 3.0081 3.6742 3.6742 3.6872 3.6872 3.8298 3.8298 3.8508 3.8508 4.1163 4.1163 4.2265 4.2265 4.5154 4.5154 5.0142 5.0142 5.1749 5.1749 5.9426 5.9426 6.0655 6.0655 6.0995 6.0995 6.3268 6.3268 6.3658 6.3658 6.4208 6.4208 7.2750 7.2750 7.2850 7.2850 7.4936 7.4936 7.5344 7.5344 7.5835 7.5835 8.1638 8.1638 k = 0.0100-0.0086-0.0200 ( 7959 PWs) bands (ev): -9.7563 -9.7563 -8.4473 -8.4473 -6.9502 -6.9501 -6.9471 -6.9471 -6.7692 -6.7691 -6.7661 -6.7661 -4.8641 -4.8641 -2.7584 -2.7584 -0.2289 -0.2289 0.1592 0.1592 0.2303 0.2306 0.7947 0.7947 0.8978 0.8985 1.9488 1.9494 2.8465 2.8477 3.0078 3.0098 3.6727 3.6730 3.6848 3.6881 3.8282 3.8314 3.8510 3.8510 4.1141 4.1156 4.2244 4.2245 4.5138 4.5189 5.0054 5.0101 5.1669 5.1670 5.9431 5.9459 6.0657 6.0658 6.0993 6.1004 6.3263 6.3276 6.3663 6.3664 6.4206 6.4214 7.2743 7.2746 7.2833 7.2865 7.4680 7.5018 7.5150 7.5512 7.5925 7.5981 8.1643 8.1725 k = 0.0199-0.0172-0.0400 ( 7969 PWs) bands (ev): -9.7547 -9.7547 -8.4457 -8.4457 -6.9545 -6.9544 -6.9490 -6.9489 -6.7721 -6.7719 -6.7680 -6.7679 -4.8583 -4.8583 -2.7563 -2.7563 -0.2269 -0.2268 0.1619 0.1620 0.2333 0.2340 0.7936 0.7938 0.8983 0.8996 1.9649 1.9661 2.8426 2.8448 3.0088 3.0132 3.6675 3.6694 3.6806 3.6879 3.8264 3.8326 3.8518 3.8526 4.1088 4.1117 4.2186 4.2190 4.5138 4.5246 4.9821 4.9926 5.1451 5.1458 5.9469 5.9522 6.0662 6.0666 6.0996 6.1020 6.3262 6.3287 6.3677 6.3679 6.4206 6.4222 7.2715 7.2734 7.2816 7.2872 7.4403 7.4674 7.5284 7.5517 7.6152 7.6342 8.1739 8.1898 k = 0.0299-0.0258-0.0599 ( 7965 PWs) bands (ev): -9.7519 -9.7519 -8.4431 -8.4431 -6.9624 -6.9622 -6.9515 -6.9513 -6.7772 -6.7769 -6.7706 -6.7704 -4.8488 -4.8487 -2.7529 -2.7528 -0.2235 -0.2233 0.1655 0.1660 0.2389 0.2401 0.7900 0.7906 0.9019 0.9036 1.9911 1.9929 2.8359 2.8389 3.0120 3.0193 3.6570 3.6620 3.6749 3.6868 3.8241 3.8324 3.8544 3.8570 4.1003 4.1045 4.2098 4.2111 4.5140 4.5319 4.9416 4.9597 5.1152 5.1173 5.9529 5.9601 6.0668 6.0679 6.1004 6.1041 6.3264 6.3302 6.3698 6.3705 6.4212 6.4234 7.2649 7.2702 7.2797 7.2868 7.4130 7.4348 7.5352 7.5494 7.6484 7.6776 8.1916 8.2147 k = 0.0398-0.0344-0.0799 ( 7965 PWs) bands (ev): -9.7481 -9.7481 -8.4394 -8.4394 -6.9735 -6.9732 -6.9547 -6.9545 -6.7845 -6.7841 -6.7740 -6.7736 -4.8356 -4.8355 -2.7481 -2.7481 -0.2186 -0.2184 0.1694 0.1703 0.2480 0.2498 0.7821 0.7833 0.9111 0.9130 2.0266 2.0288 2.8260 2.8294 3.0180 3.0289 3.6402 3.6485 3.6690 3.6850 3.8208 3.8305 3.8595 3.8653 4.0880 4.0935 4.1994 4.2024 4.5123 4.5399 4.8829 4.9113 5.0834 5.0871 5.9595 5.9679 6.0668 6.0692 6.1011 6.1065 6.3269 6.3318 6.3725 6.3740 6.4225 6.4250 7.2525 7.2610 7.2777 7.2848 7.3895 7.4071 7.5382 7.5473 7.6883 7.7240 8.2166 8.2458 k = 0.0498-0.0430-0.0999 ( 7961 PWs) bands (ev): -9.7433 -9.7432 -8.4347 -8.4346 -6.9875 -6.9872 -6.9588 -6.9586 -6.7936 -6.7930 -6.7780 -6.7776 -4.8191 -4.8189 -2.7421 -2.7420 -0.2123 -0.2120 0.1725 0.1742 0.2610 0.2636 0.7698 0.7718 0.9269 0.9289 2.0700 2.0728 2.8125 2.8161 3.0274 3.0425 3.6164 3.6281 3.6626 3.6823 3.8165 3.8273 3.8670 3.8770 4.0715 4.0790 4.1887 4.1942 4.5048 4.5466 4.8096 4.8521 5.0524 5.0574 5.9657 5.9745 6.0659 6.0701 6.1016 6.1089 6.3278 6.3337 6.3755 6.3782 6.4245 6.4272 7.2321 7.2412 7.2759 7.2817 7.3736 7.3874 7.5393 7.5462 7.7318 7.7713 8.2475 8.2817 k = 0.0597-0.0516-0.1199 ( 7961 PWs) bands (ev): -9.7374 -9.7373 -8.4290 -8.4290 -7.0043 -7.0040 -6.9639 -6.9636 -6.8042 -6.8036 -6.7830 -6.7825 -4.7995 -4.7993 -2.7348 -2.7346 -0.2044 -0.2040 0.1748 0.1772 0.2782 0.2818 0.7542 0.7569 0.9492 0.9514 2.1203 2.1237 2.7956 2.7993 3.0401 3.0602 3.5856 3.6008 3.6553 3.6787 3.8109 3.8229 3.8760 3.8911 4.0515 4.0623 4.1788 4.1874 4.4850 4.5467 4.7307 4.7926 5.0222 5.0282 5.9706 5.9792 6.0636 6.0698 6.1016 6.1112 6.3290 6.3356 6.3786 6.3828 6.4274 6.4303 7.2031 7.2108 7.2739 7.2779 7.3658 7.3759 7.5398 7.5463 7.7759 7.8174 8.2830 8.3208 k = 0.0697-0.0602-0.1398 ( 7983 PWs) bands (ev): -9.7305 -9.7305 -8.4224 -8.4223 -7.0235 -7.0232 -6.9699 -6.9696 -6.8162 -6.8154 -6.7887 -6.7881 -4.7771 -4.7769 -2.7262 -2.7261 -0.1950 -0.1945 0.1762 0.1792 0.2993 0.3039 0.7366 0.7401 0.9773 0.9797 2.1761 2.1801 2.7758 2.7796 3.0554 3.0816 3.5480 3.5673 3.6467 3.6743 3.8034 3.8167 3.8848 3.9063 4.0292 4.0451 4.1700 4.1822 4.4448 4.5237 4.6670 4.7452 4.9920 4.9991 5.9740 5.9817 6.0596 6.0675 6.1016 6.1130 6.3304 6.3375 6.3815 6.3873 6.4312 6.4346 7.1678 7.1735 7.2712 7.2737 7.3633 7.3704 7.5406 7.5474 7.8184 7.8599 8.3212 8.3610 k = 0.0796-0.0688-0.1598 ( 7981 PWs) bands (ev): -9.7227 -9.7227 -8.4148 -8.4148 -7.0450 -7.0447 -6.9769 -6.9766 -6.8292 -6.8283 -6.7952 -6.7946 -4.7523 -4.7520 -2.7166 -2.7164 -0.1840 -0.1835 0.1769 0.1805 0.3237 0.3294 0.7184 0.7228 1.0106 1.0132 2.2364 2.2411 2.7538 2.7578 3.0725 3.1058 3.5042 3.5285 3.6364 3.6692 3.7930 3.8081 3.8916 3.9202 4.0070 4.0292 4.1623 4.1786 4.3820 4.4584 4.6418 4.7167 4.9618 4.9700 5.9757 5.9818 6.0536 6.0627 6.1018 6.1143 6.3321 6.3396 6.3842 6.3914 6.4361 6.4399 7.1292 7.1331 7.2675 7.2697 7.3630 7.3681 7.5422 7.5497 7.8571 7.8971 8.3600 8.3999 k = 0.0896-0.0774-0.1798 ( 7981 PWs) bands (ev): -9.7141 -9.7140 -8.4065 -8.4065 -7.0684 -7.0681 -6.9850 -6.9845 -6.8429 -6.8420 -6.8024 -6.8018 -4.7253 -4.7250 -2.7058 -2.7056 -0.1714 -0.1708 0.1773 0.1813 0.3509 0.3578 0.7008 0.7060 1.0484 1.0512 2.2999 2.3054 2.7304 2.7346 3.0897 3.1320 3.4553 3.4857 3.6243 3.6635 3.7785 3.7960 3.8943 3.9291 3.9878 4.0146 4.1552 4.1762 4.3060 4.3709 4.6399 4.7036 4.9317 4.9414 5.9753 5.9795 6.0456 6.0555 6.1022 6.1150 6.3339 6.3417 6.3867 6.3951 6.4419 6.4463 7.0896 7.0920 7.2628 7.2659 7.3631 7.3667 7.5449 7.5530 7.8903 7.9275 8.3968 8.4347 k = 0.0995-0.0860-0.1998 ( 7983 PWs) bands (ev): -9.7046 -9.7046 -8.3974 -8.3973 -7.0933 -7.0930 -6.9940 -6.9935 -6.8573 -6.8562 -6.8103 -6.8096 -4.6965 -4.6963 -2.6940 -2.6938 -0.1572 -0.1566 0.1775 0.1820 0.3799 0.3882 0.6844 0.6908 1.0902 1.0931 2.3655 2.3720 2.7063 2.7106 3.1047 3.1585 3.4022 3.4409 3.6100 3.6572 3.7590 3.7795 3.8899 3.9275 3.9743 3.9975 4.1469 4.1731 4.2359 4.2861 4.6439 4.6989 4.9025 4.9140 5.9722 5.9744 6.0359 6.0463 6.1025 6.1151 6.3359 6.3438 6.3890 6.3981 6.4484 6.4532 7.0505 7.0520 7.2577 7.2622 7.3622 7.3648 7.5487 7.5574 7.9170 7.9504 8.4293 8.4631 k = 0.1095-0.0945-0.2197 ( 7981 PWs) bands (ev): -9.6944 -9.6944 -8.3875 -8.3875 -7.1195 -7.1192 -7.0041 -7.0036 -6.8719 -6.8708 -6.8189 -6.8182 -4.6663 -4.6660 -2.6814 -2.6811 -0.1414 -0.1408 0.1779 0.1826 0.4102 0.4201 0.6701 0.6779 1.1355 1.1386 2.4320 2.4398 2.6821 2.6866 3.1141 3.1828 3.3475 3.3976 3.5924 3.6497 3.7343 3.7581 3.8698 3.9138 3.9602 3.9760 4.1318 4.1639 4.1971 4.2250 4.6479 4.6971 4.8752 4.8890 5.9642 5.9672 6.0254 6.0364 6.1025 6.1145 6.3380 6.3459 6.3912 6.4008 6.4553 6.4604 7.0127 7.0143 7.2526 7.2586 7.3598 7.3618 7.5534 7.5627 7.9363 7.9654 8.4560 8.4841 k = 0.1195-0.1031-0.2397 ( 7985 PWs) bands (ev): -9.6836 -9.6835 -8.3771 -8.3771 -7.1466 -7.1463 -7.0153 -7.0147 -6.8867 -6.8855 -6.8280 -6.8272 -4.6349 -4.6346 -2.6679 -2.6676 -0.1242 -0.1235 0.1784 0.1834 0.4407 0.4527 0.6584 0.6680 1.1837 1.1869 2.4979 2.5073 2.6584 2.6632 3.1128 3.1972 3.2979 3.3608 3.5696 3.6382 3.7051 3.7319 3.8241 3.8792 3.9407 3.9664 4.1157 4.1492 4.1817 4.2093 4.6491 4.6944 4.8513 4.8678 5.9509 5.9566 6.0153 6.0268 6.1018 6.1132 6.3401 6.3482 6.3934 6.4033 6.4622 6.4674 6.9772 6.9797 7.2479 7.2554 7.3555 7.3574 7.5589 7.5685 7.9478 7.9725 8.4769 8.4988 k = 0.1294-0.1117-0.2597 ( 7981 PWs) bands (ev): -9.6722 -9.6721 -8.3661 -8.3661 -7.1743 -7.1740 -7.0275 -7.0269 -6.9014 -6.9001 -6.8375 -6.8368 -4.6027 -4.6024 -2.6537 -2.6534 -0.1055 -0.1047 0.1794 0.1847 0.4706 0.4852 0.6498 0.6619 1.2342 1.2375 2.5604 2.5723 2.6357 2.6433 3.0956 3.1797 3.2740 3.3363 3.5373 3.6120 3.6740 3.7027 3.7679 3.8240 3.9361 3.9644 4.1088 4.1355 4.1836 4.2154 4.6461 4.6884 4.8326 4.8515 5.9329 5.9407 6.0066 6.0181 6.1003 6.1110 6.3422 6.3505 6.3957 6.4057 6.4688 6.4742 6.9449 6.9484 7.2435 7.2528 7.3490 7.3518 7.5647 7.5745 7.9516 7.9721 8.4927 8.5093 k = 0.1394-0.1203-0.2797 ( 7975 PWs) bands (ev): -9.6603 -9.6602 -8.3548 -8.3547 -7.2021 -7.2019 -7.0406 -7.0400 -6.9159 -6.9146 -6.8475 -6.8468 -4.5700 -4.5697 -2.6389 -2.6386 -0.0855 -0.0847 0.1811 0.1864 0.4986 0.5165 0.6449 0.6601 1.2863 1.2896 2.5952 2.6135 2.6307 2.6529 3.0614 3.1295 3.2742 3.3258 3.4894 3.5544 3.6459 3.6775 3.7279 3.7726 3.9389 3.9670 4.1075 4.1284 4.1949 4.2274 4.6385 4.6778 4.8198 4.8404 5.9105 5.9196 5.9994 6.0103 6.0979 6.1078 6.3443 6.3528 6.3982 6.4083 6.4749 6.4803 6.9161 6.9208 7.2393 7.2508 7.3408 7.3452 7.5703 7.5803 7.9481 7.9650 8.5042 8.5176 k = 0.1493-0.1289-0.2996 ( 7981 PWs) bands (ev): -9.6480 -9.6480 -8.3431 -8.3430 -7.2299 -7.2296 -7.0546 -7.0540 -6.9300 -6.9287 -6.8579 -6.8571 -4.5370 -4.5366 -2.6236 -2.6233 -0.0643 -0.0634 0.1834 0.1889 0.5237 0.5453 0.6444 0.6632 1.3390 1.3425 2.5822 2.5920 2.6849 2.7054 3.0153 3.0708 3.2726 3.3228 3.4252 3.4762 3.6222 3.6570 3.7092 3.7362 3.9452 3.9731 4.1088 4.1255 4.2108 4.2422 4.6270 4.6631 4.8126 4.8341 5.8843 5.8942 5.9932 6.0032 6.0944 6.1037 6.3464 6.3553 6.4007 6.4110 6.4803 6.4857 6.8912 6.8972 7.2351 7.2490 7.3318 7.3384 7.5753 7.5853 7.9378 7.9518 8.5121 8.5251 k = 0.1593-0.1375-0.3196 ( 7979 PWs) bands (ev): -9.6355 -9.6354 -8.3312 -8.3311 -7.2572 -7.2570 -7.0694 -7.0688 -6.9437 -6.9423 -6.8684 -6.8676 -4.5040 -4.5036 -2.6080 -2.6076 -0.0421 -0.0410 0.1868 0.1924 0.5453 0.5702 0.6491 0.6713 1.3915 1.3951 2.5622 2.5703 2.7321 2.7568 2.9648 3.0137 3.2567 3.3105 3.3563 3.4082 3.6017 3.6370 3.6977 3.7223 3.9536 3.9819 4.1115 4.1252 4.2290 4.2586 4.6135 4.6464 4.8095 4.8312 5.8550 5.8653 5.9873 5.9963 6.0897 6.0985 6.3484 6.3579 6.4034 6.4139 6.4851 6.4905 6.8705 6.8776 7.2299 7.2466 7.3235 7.3326 7.5792 7.5892 7.9217 7.9338 8.5172 8.5318 k = 0.1692-0.1461-0.3396 ( 7993 PWs) bands (ev): -9.6228 -9.6227 -8.3192 -8.3192 -7.2838 -7.2836 -7.0848 -7.0842 -6.9569 -6.9555 -6.8792 -6.8783 -4.4712 -4.4708 -2.5921 -2.5917 -0.0190 -0.0178 0.1913 0.1969 0.5634 0.5902 0.6593 0.6834 1.4424 1.4461 2.5407 2.5481 2.7642 2.7936 2.9204 2.9657 3.2139 3.2541 3.3193 3.3765 3.5806 3.6189 3.6881 3.7272 3.9636 3.9926 4.1155 4.1267 4.2482 4.2758 4.6002 4.6298 4.8086 4.8303 5.8230 5.8337 5.9814 5.9894 6.0837 6.0921 6.3504 6.3606 6.4063 6.4170 6.4891 6.4945 6.8540 6.8622 7.2227 7.2417 7.3180 7.3294 7.5813 7.5914 7.9006 7.9118 8.5203 8.5372 k = 0.1792-0.1547-0.3596 ( 7979 PWs) bands (ev): -9.6101 -9.6100 -8.3074 -8.3073 -7.3094 -7.3092 -7.1006 -7.1000 -6.9694 -6.9680 -6.8900 -6.8892 -4.4388 -4.4385 -2.5761 -2.5757 0.0048 0.0062 0.1973 0.2029 0.5790 0.6061 0.6734 0.6978 1.4903 1.4943 2.5175 2.5241 2.7697 2.7939 2.9042 2.9390 3.1546 3.1796 3.3066 3.3665 3.5580 3.6017 3.6873 3.7383 3.9746 4.0043 4.1209 4.1297 4.2679 4.2936 4.5888 4.6151 4.8087 4.8302 5.7891 5.7999 5.9753 5.9825 6.0765 6.0846 6.3525 6.3635 6.4093 6.4204 6.4927 6.4979 6.8416 6.8509 7.2126 7.2327 7.3177 7.3302 7.5812 7.5916 7.8756 7.8869 8.5219 8.5410 k = 0.1891-0.1633-0.3795 ( 7989 PWs) bands (ev): -9.5974 -9.5974 -8.2957 -8.2956 -7.3338 -7.3336 -7.1168 -7.1162 -6.9813 -6.9799 -6.9009 -6.9000 -4.4072 -4.4068 -2.5602 -2.5598 0.0290 0.0306 0.2048 0.2104 0.5933 0.6198 0.6885 0.7126 1.5333 1.5377 2.4910 2.4965 2.7448 2.7591 2.9145 2.9382 3.0986 3.1147 3.3000 3.3617 3.5352 3.5847 3.6935 3.7510 3.9861 4.0163 4.1275 4.1339 4.2877 4.3122 4.5810 4.6036 4.8089 4.8302 5.7536 5.7646 5.9690 5.9753 6.0678 6.0757 6.3546 6.3665 6.4125 6.4240 6.4957 6.5008 6.8333 6.8435 7.1996 7.2193 7.3231 7.3355 7.5784 7.5893 7.8477 7.8599 8.5221 8.5430 k = 0.1991-0.1719-0.3995 ( 7983 PWs) bands (ev): -9.5850 -9.5849 -8.2844 -8.2843 -7.3566 -7.3564 -7.1331 -7.1325 -6.9925 -6.9911 -6.9116 -6.9107 -4.3764 -4.3760 -2.5445 -2.5440 0.0533 0.0552 0.2142 0.2197 0.6069 0.6330 0.7024 0.7263 1.5696 1.5743 2.4592 2.4633 2.7051 2.7192 2.9228 2.9484 3.0554 3.0682 3.2966 3.3588 3.5131 3.5682 3.7029 3.7630 3.9975 4.0279 4.1349 4.1388 4.3074 4.3319 4.5779 4.5966 4.8087 4.8299 5.7172 5.7283 5.9624 5.9680 6.0578 6.0656 6.3568 6.3695 6.4158 6.4278 6.4984 6.5033 6.8287 6.8396 7.1842 7.2029 7.3332 7.3450 7.5725 7.5841 7.8182 7.8319 8.5211 8.5433 k = 0.2090-0.1805-0.4195 ( 7989 PWs) bands (ev): -9.5728 -9.5727 -8.2736 -8.2736 -7.3776 -7.3774 -7.1495 -7.1489 -7.0029 -7.0014 -6.9222 -6.9213 -4.3467 -4.3464 -2.5291 -2.5287 0.0774 0.0797 0.2256 0.2310 0.6198 0.6460 0.7141 0.7382 1.5967 1.6021 2.4207 2.4236 2.6667 2.6847 2.9231 2.9538 3.0285 3.0430 3.2958 3.3571 3.4921 3.5527 3.7127 3.7730 4.0086 4.0384 4.1419 4.1441 4.3268 4.3525 4.5803 4.5951 4.8079 4.8291 5.6805 5.6916 5.9554 5.9604 6.0463 6.0541 6.3592 6.3726 6.4193 6.4317 6.5009 6.5055 6.8275 6.8389 7.1675 7.1850 7.3466 7.3583 7.5634 7.5758 7.7880 7.8036 8.5191 8.5419 k = 0.2190-0.1891-0.4395 ( 7991 PWs) bands (ev): -9.5611 -9.5610 -8.2636 -8.2635 -7.3966 -7.3964 -7.1658 -7.1653 -7.0124 -7.0110 -6.9325 -6.9315 -4.3183 -4.3179 -2.5143 -2.5138 0.1011 0.1038 0.2392 0.2444 0.6313 0.6577 0.7243 0.7489 1.6126 1.6186 2.3765 2.3787 2.6367 2.6582 2.9202 2.9527 3.0174 3.0333 3.2969 3.3562 3.4725 3.5383 3.7213 3.7805 4.0188 4.0477 4.1476 4.1496 4.3453 4.3726 4.5888 4.6005 4.8066 4.8278 5.6439 5.6551 5.9482 5.9526 6.0334 6.0414 6.3617 6.3758 6.4228 6.4356 6.5033 6.5077 6.8292 6.8409 7.1506 7.1669 7.3616 7.3741 7.5511 7.5646 7.7584 7.7762 8.5164 8.5392 k = 0.2290-0.1977-0.4595 ( 7991 PWs) bands (ev): -9.5499 -9.5499 -8.2543 -8.2542 -7.4134 -7.4132 -7.1820 -7.1815 -7.0211 -7.0196 -6.9424 -6.9414 -4.2913 -4.2909 -2.5001 -2.4995 0.1241 0.1274 0.2550 0.2600 0.6397 0.6654 0.7353 0.7595 1.6155 1.6221 2.3299 2.3323 2.6160 2.6398 2.9205 2.9528 3.0146 3.0319 3.2986 3.3556 3.4547 3.5250 3.7278 3.7850 4.0281 4.0558 4.1521 4.1543 4.3615 4.3898 4.6038 4.6138 4.8049 4.8262 5.6083 5.6194 5.9407 5.9448 6.0193 6.0275 6.3643 6.3789 6.4264 6.4394 6.5057 6.5098 6.8332 6.8449 7.1348 7.1498 7.3762 7.3911 7.5368 7.5515 7.7304 7.7505 8.5132 8.5355 k = 0.2389-0.2063-0.4794 ( 7983 PWs) bands (ev): -9.5394 -9.5393 -8.2460 -8.2460 -7.4277 -7.4275 -7.1980 -7.1975 -7.0288 -7.0274 -6.9517 -6.9507 -4.2659 -4.2655 -2.4867 -2.4861 0.1465 0.1503 0.2728 0.2776 0.6428 0.6662 0.7504 0.7725 1.6043 1.6116 2.2856 2.2884 2.6025 2.6277 2.9274 2.9587 3.0153 3.0358 3.2998 3.3545 3.4389 3.5125 3.7320 3.7869 4.0361 4.0629 4.1562 4.1577 4.3738 4.4018 4.6249 4.6346 4.8036 4.8249 5.5743 5.5852 5.9331 5.9369 6.0039 6.0126 6.3672 6.3819 6.4301 6.4432 6.5081 6.5120 6.8386 6.8500 7.1214 7.1349 7.3871 7.4061 7.5230 7.5390 7.7046 7.7275 8.5098 8.5312 k = 0.2489-0.2149-0.4994 ( 7995 PWs) bands (ev): -9.5296 -9.5295 -8.2389 -8.2388 -7.4395 -7.4393 -7.2137 -7.2133 -7.0358 -7.0343 -6.9603 -6.9592 -4.2422 -4.2419 -2.4743 -2.4736 0.1681 0.1725 0.2921 0.2969 0.6393 0.6593 0.7705 0.7894 1.5795 1.5873 2.2470 2.2502 2.5935 2.6194 2.9406 2.9706 3.0193 3.0448 3.2997 3.3523 3.4253 3.5005 3.7341 3.7864 4.0429 4.0692 4.1598 4.1603 4.3812 4.4072 4.6502 4.6601 4.8041 4.8249 5.5425 5.5532 5.9252 5.9289 5.9877 5.9969 6.3701 6.3848 6.4337 6.4467 6.5105 6.5142 6.8443 6.8551 7.1115 7.1234 7.3901 7.4130 7.5151 7.5310 7.6816 7.7081 8.5066 8.5267 k = 0.2588-0.2235-0.5194 ( 7981 PWs) bands (ev): -9.5206 -9.5205 -8.2330 -8.2329 -7.4485 -7.4483 -7.2292 -7.2288 -7.0420 -7.0406 -6.9678 -6.9667 -4.2204 -4.2201 -2.4629 -2.4623 0.1891 0.1941 0.3123 0.3172 0.6291 0.6462 0.7948 0.8110 1.5428 1.5511 2.2161 2.2194 2.5862 2.6123 2.9586 2.9869 3.0279 3.0595 3.2982 3.3489 3.4143 3.4887 3.7344 3.7840 4.0481 4.0751 4.1614 4.1642 4.3834 4.4066 4.6745 4.6853 4.8096 4.8284 5.5136 5.5242 5.9171 5.9210 5.9709 5.9809 6.3731 6.3876 6.4373 6.4499 6.5130 6.5164 6.8493 6.8593 7.1065 7.1168 7.3823 7.4057 7.5179 7.5305 7.6618 7.6934 8.5038 8.5222 k = 0.2688-0.2321-0.5394 ( 7969 PWs) bands (ev): -9.5125 -9.5124 -8.2284 -8.2282 -7.4548 -7.4545 -7.2444 -7.2440 -7.0478 -7.0463 -6.9740 -6.9729 -4.2006 -4.2003 -2.4529 -2.4522 0.2096 0.2152 0.3322 0.3376 0.6138 0.6290 0.8222 0.8366 1.4968 1.5056 2.1933 2.1965 2.5782 2.6043 2.9789 3.0051 3.0423 3.0793 3.2958 3.3445 3.4058 3.4770 3.7333 3.7802 4.0520 4.0809 4.1623 4.1684 4.3811 4.4009 4.6906 4.7038 4.8244 4.8386 5.4882 5.4987 5.9087 5.9132 5.9542 5.9651 6.3761 6.3900 6.4409 6.4529 6.5154 6.5186 6.8524 6.8615 7.1073 7.1162 7.3654 7.3866 7.5255 7.5364 7.6467 7.6852 8.5017 8.5180 k = 0.2787-0.2407-0.5593 ( 7959 PWs) bands (ev): -9.5052 -9.5052 -8.2251 -8.2250 -7.4581 -7.4578 -7.2591 -7.2587 -7.0533 -7.0519 -6.9785 -6.9774 -4.1829 -4.1826 -2.4441 -2.4434 0.2298 0.2360 0.3504 0.3568 0.5956 0.6100 0.8520 0.8656 1.4446 1.4542 2.1780 2.1810 2.5682 2.5941 2.9994 3.0229 3.0628 3.1021 3.2935 3.3396 3.4001 3.4658 3.7313 3.7754 4.0547 4.0867 4.1628 4.1728 4.3751 4.3915 4.6945 4.7116 4.8490 4.8574 5.4669 5.4771 5.9001 5.9053 5.9383 5.9502 6.3790 6.3921 6.4443 6.4554 6.5177 6.5206 6.8531 6.8611 7.1144 7.1223 7.3434 7.3622 7.5280 7.5436 7.6396 7.6846 8.5006 8.5145 k = 0.2887-0.2493-0.5793 ( 7963 PWs) bands (ev): -9.4990 -9.4989 -8.2233 -8.2231 -7.4587 -7.4583 -7.2735 -7.2731 -7.0589 -7.0576 -6.9811 -6.9800 -4.1674 -4.1671 -2.4369 -2.4361 0.2496 0.2564 0.3649 0.3730 0.5773 0.5919 0.8834 0.8972 1.3892 1.3999 2.1695 2.1722 2.5559 2.5817 3.0179 3.0390 3.0875 3.1248 3.2926 3.3343 3.3980 3.4558 3.7286 3.7700 4.0563 4.0924 4.1630 4.1774 4.3663 4.3792 4.6882 4.7090 4.8777 4.8831 5.4499 5.4599 5.8913 5.8972 5.9243 5.9370 6.3816 6.3936 6.4475 6.4576 6.5197 6.5223 6.8513 6.8580 7.1276 7.1350 7.3199 7.3365 7.5240 7.5427 7.6434 7.6909 8.5005 8.5119 k = 0.2986-0.2579-0.5993 ( 7961 PWs) bands (ev): -9.4937 -9.4936 -8.2228 -8.2226 -7.4565 -7.4561 -7.2872 -7.2868 -7.0648 -7.0636 -6.9815 -6.9805 -4.1542 -4.1539 -2.4311 -2.4303 0.2686 0.2763 0.3733 0.3834 0.5627 0.5782 0.9156 0.9308 1.3332 1.3457 2.1666 2.1693 2.5417 2.5675 3.0323 3.0531 3.1127 3.1442 3.2937 3.3282 3.4004 3.4485 3.7255 3.7645 4.0573 4.0977 4.1635 4.1823 4.3554 4.3651 4.6753 4.6993 4.9036 4.9116 5.4373 5.4472 5.8829 5.8889 5.9132 5.9261 6.3840 6.3946 6.4507 6.4593 6.5213 6.5236 6.8475 6.8528 7.1464 7.1534 7.2972 7.3121 7.5151 7.5331 7.6552 7.7012 8.5015 8.5106 k = 0.3086-0.2664-0.6193 ( 7961 PWs) bands (ev): -9.4893 -9.4892 -8.2236 -8.2235 -7.4517 -7.4513 -7.3002 -7.2998 -7.0711 -7.0700 -6.9798 -6.9790 -4.1432 -4.1429 -2.4270 -2.4261 0.2862 0.2949 0.3736 0.3857 0.5554 0.5718 0.9478 0.9655 1.2792 1.2946 2.1681 2.1714 2.5263 2.5524 3.0414 3.0641 3.1352 3.1576 3.2966 3.3213 3.4075 3.4455 3.7223 3.7590 4.0581 4.1023 4.1648 4.1876 4.3430 4.3496 4.6584 4.6850 4.9248 4.9370 5.4291 5.4389 5.8755 5.8813 5.9052 5.9178 6.3858 6.3950 6.4537 6.4607 6.5225 6.5245 6.8424 6.8463 7.1697 7.1757 7.2770 7.2903 7.5032 7.5190 7.6688 7.7118 8.5030 8.5106 k = 0.3185-0.2750-0.6392 ( 7963 PWs) bands (ev): -9.4858 -9.4857 -8.2256 -8.2255 -7.4449 -7.4444 -7.3122 -7.3117 -7.0778 -7.0768 -6.9762 -6.9755 -4.1344 -4.1341 -2.4244 -2.4235 0.3001 0.3100 0.3672 0.3804 0.5572 0.5739 0.9780 1.0003 1.2297 1.2497 2.1730 2.1775 2.5111 2.5378 3.0452 3.0707 3.1520 3.1643 3.2994 3.3150 3.4178 3.4478 3.7191 3.7538 4.0590 4.1058 4.1672 4.1932 4.3294 4.3336 4.6392 4.6681 4.9394 4.9559 5.4250 5.4348 5.8701 5.8753 5.9004 5.9123 6.3870 6.3947 6.4567 6.4617 6.5232 6.5249 6.8368 6.8391 7.1957 7.1989 7.2617 7.2726 7.4902 7.5037 7.6801 7.7199 8.5048 8.5119 k = 0.3285-0.2836-0.6592 ( 7965 PWs) bands (ev): -9.4832 -9.4831 -8.2287 -8.2286 -7.4366 -7.4360 -7.3225 -7.3221 -7.0847 -7.0838 -6.9709 -6.9703 -4.1280 -4.1277 -2.4235 -2.4226 0.3049 0.3145 0.3629 0.3750 0.5664 0.5828 1.0029 1.0324 1.1885 1.2158 2.1800 2.1860 2.4973 2.5250 3.0443 3.0724 3.1589 3.1662 3.2986 3.3128 3.4291 3.4544 3.7160 3.7489 4.0604 4.1078 4.1709 4.1991 4.3141 4.3176 4.6192 4.6503 4.9462 4.9668 5.4247 5.4346 5.8673 5.8717 5.8989 5.9100 6.3873 6.3939 6.4595 6.4626 6.5232 6.5248 6.8307 6.8321 7.2130 7.2232 7.2545 7.2652 7.4778 7.4895 7.6872 7.7237 8.5068 8.5143 k = 0.3385-0.2922-0.6792 ( 7979 PWs) bands (ev): -9.4814 -9.4813 -8.2328 -8.2326 -7.4279 -7.4272 -7.3304 -7.3299 -7.0917 -7.0910 -6.9643 -6.9637 -4.1237 -4.1234 -2.4241 -2.4232 0.2946 0.3018 0.3697 0.3784 0.5798 0.5960 1.0171 1.0540 1.1644 1.1990 2.1876 2.1954 2.4869 2.5156 3.0398 3.0699 3.1532 3.1655 3.2943 3.3145 3.4393 3.4634 3.7132 3.7445 4.0625 4.1085 4.1751 4.2049 4.2970 4.3020 4.6001 4.6330 4.9445 4.9688 5.4278 5.4379 5.8666 5.8703 5.9013 5.9114 6.3862 6.3927 6.4619 6.4636 6.5228 6.5242 6.8242 6.8261 7.2117 7.2346 7.2619 7.2816 7.4679 7.4781 7.6894 7.7229 8.5097 8.5177 k = 0.3484-0.3008-0.6992 ( 7975 PWs) bands (ev): -9.4803 -9.4803 -8.2376 -8.2374 -7.4205 -7.4198 -7.3343 -7.3337 -7.0988 -7.0981 -6.9566 -6.9561 -4.1215 -4.1212 -2.4262 -2.4253 0.2732 0.2793 0.3818 0.3890 0.5951 0.6112 1.0171 1.0530 1.1704 1.2038 2.1942 2.2037 2.4816 2.5116 3.0325 3.0640 3.1408 3.1578 3.2894 3.3162 3.4467 3.4723 3.7108 3.7406 4.0652 4.1082 4.1783 4.2094 4.2795 4.2862 4.5833 4.6177 4.9345 4.9621 5.4343 5.4447 5.8673 5.8705 5.9083 5.9174 6.3839 6.3912 6.4630 6.4659 6.5219 6.5232 6.8179 6.8210 7.2042 7.2279 7.2865 7.3065 7.4627 7.4724 7.6872 7.7179 8.5138 8.5224 k = 0.3584-0.3094-0.7191 ( 7969 PWs) bands (ev): -9.4799 -9.4799 -8.2430 -8.2429 -7.4166 -7.4159 -7.3321 -7.3316 -7.1057 -7.1052 -6.9483 -6.9479 -4.1212 -4.1209 -2.4296 -2.4287 0.2476 0.2533 0.3942 0.4012 0.6109 0.6270 1.0075 1.0370 1.1990 1.2257 2.1979 2.2088 2.4836 2.5145 3.0231 3.0560 3.1244 3.1434 3.2836 3.3155 3.4507 3.4796 3.7088 3.7371 4.0679 4.1067 4.1784 4.2092 4.2639 4.2711 4.5702 4.6055 4.9167 4.9473 5.4440 5.4545 5.8686 5.8720 5.9196 5.9280 6.3804 6.3894 6.4636 6.4686 6.5205 6.5218 6.8123 6.8167 7.1958 7.2196 7.3091 7.3299 7.4651 7.4754 7.6818 7.7099 8.5195 8.5287 k = 0.6416-0.0805-0.5685 ( 7969 PWs) bands (ev): -9.4799 -9.4799 -8.2430 -8.2429 -7.4166 -7.4159 -7.3321 -7.3316 -7.1057 -7.1052 -6.9483 -6.9479 -4.1212 -4.1209 -2.4296 -2.4287 0.2476 0.2533 0.3942 0.4012 0.6109 0.6270 1.0075 1.0370 1.1990 1.2257 2.1979 2.2088 2.4836 2.5145 3.0231 3.0560 3.1244 3.1434 3.2836 3.3155 3.4507 3.4796 3.7088 3.7371 4.0679 4.1067 4.1784 4.2092 4.2639 4.2711 4.5702 4.6055 4.9167 4.9473 5.4440 5.4545 5.8686 5.8720 5.9196 5.9280 6.3804 6.3894 6.4636 6.4686 6.5205 6.5218 6.8123 6.8167 7.1958 7.2196 7.3091 7.3299 7.4651 7.4754 7.6818 7.7099 8.5195 8.5287 k = 0.6322-0.0599-0.5685 ( 7977 PWs) bands (ev): -9.4801 -9.4800 -8.2485 -8.2484 -7.4170 -7.4164 -7.3240 -7.3235 -7.1121 -7.1116 -6.9400 -6.9397 -4.1226 -4.1223 -2.4341 -2.4332 0.2223 0.2277 0.4045 0.4117 0.6258 0.6419 0.9966 1.0212 1.2341 1.2555 2.1978 2.2092 2.4934 2.5247 3.0125 3.0471 3.1066 3.1258 3.2759 3.3116 3.4516 3.4844 3.7072 3.7344 4.0699 4.1040 4.1727 4.1996 4.2542 4.2608 4.5618 4.5973 4.8936 4.9268 5.4557 5.4663 5.8706 5.8746 5.9338 5.9418 6.3764 6.3870 6.4640 6.4711 6.5188 6.5204 6.8079 6.8131 7.1876 7.2111 7.3254 7.3469 7.4762 7.4881 7.6749 7.7009 8.5263 8.5361 k = 0.6228-0.0393-0.5685 ( 7961 PWs) bands (ev): -9.4806 -9.4806 -8.2543 -8.2542 -7.4206 -7.4202 -7.3108 -7.3105 -7.1183 -7.1178 -6.9317 -6.9314 -4.1253 -4.1251 -2.4394 -2.4385 0.1972 0.2023 0.4127 0.4199 0.6405 0.6566 0.9880 1.0094 1.2719 1.2898 2.1937 2.2050 2.5110 2.5422 3.0007 3.0371 3.0878 3.1061 3.2655 3.3040 3.4500 3.4871 3.7059 3.7321 4.0700 4.0992 4.1593 4.1800 4.2486 4.2587 4.5572 4.5923 4.8658 4.9014 5.4696 5.4801 5.8738 5.8783 5.9503 5.9582 6.3721 6.3842 6.4643 6.4734 6.5167 6.5189 6.8043 6.8102 7.1783 7.2009 7.3378 7.3594 7.4954 7.5090 7.6679 7.6921 8.5345 8.5447 k = 0.6133-0.0187-0.5685 ( 7963 PWs) bands (ev): -9.4815 -9.4815 -8.2602 -8.2601 -7.4262 -7.4258 -7.2944 -7.2941 -7.1241 -7.1237 -6.9235 -6.9233 -4.1293 -4.1291 -2.4456 -2.4447 0.1730 0.1777 0.4185 0.4256 0.6552 0.6711 0.9833 1.0024 1.3107 1.3261 2.1861 2.1967 2.5355 2.5664 2.9878 3.0262 3.0691 3.0859 3.2524 3.2928 3.4466 3.4877 3.7046 3.7302 4.0666 4.0898 4.1400 4.1560 4.2472 4.2614 4.5556 4.5899 4.8348 4.8727 5.4849 5.4953 5.8784 5.8834 5.9683 5.9761 6.3674 6.3809 6.4646 6.4753 6.5144 6.5173 6.8014 6.8078 7.1674 7.1885 7.3492 7.3701 7.5185 7.5339 7.6627 7.6855 8.5434 8.5540 k = 0.6039 0.0020-0.5685 ( 7958 PWs) bands (ev): -9.4827 -9.4827 -8.2660 -8.2659 -7.4326 -7.4323 -7.2760 -7.2758 -7.1296 -7.1292 -6.9158 -6.9155 -4.1343 -4.1341 -2.4523 -2.4515 0.1500 0.1543 0.4219 0.4287 0.6699 0.6853 0.9826 1.0002 1.3496 1.3632 2.1757 2.1854 2.5655 2.5961 2.9736 3.0136 3.0518 3.0667 3.2373 3.2784 3.4420 3.4863 3.7034 3.7285 4.0556 4.0714 4.1210 4.1347 4.2493 4.2657 4.5554 4.5889 4.8020 4.8422 5.5010 5.5111 5.8849 5.8902 5.9869 5.9948 6.3627 6.3772 6.4648 6.4769 6.5121 6.5158 6.7992 6.8059 7.1548 7.1738 7.3617 7.3818 7.5405 7.5578 7.6619 7.6836 8.5526 8.5636 k = 0.5944 0.0226-0.5685 ( 7964 PWs) bands (ev): -9.4841 -9.4841 -8.2717 -8.2716 -7.4392 -7.4390 -7.2567 -7.2565 -7.1346 -7.1343 -6.9086 -6.9083 -4.1401 -4.1399 -2.4594 -2.4586 0.1284 0.1324 0.4232 0.4296 0.6846 0.6995 0.9855 1.0019 1.3880 1.4002 2.1634 2.1720 2.5994 2.6299 2.9584 2.9983 3.0374 3.0500 3.2209 3.2619 3.4363 3.4832 3.7019 3.7269 4.0318 4.0430 4.1076 4.1215 4.2531 4.2703 4.5550 4.5878 4.7695 4.8117 5.5172 5.5268 5.8932 5.8987 6.0056 6.0135 6.3582 6.3733 6.4648 6.4780 6.5099 6.5144 6.7976 6.8043 7.1405 7.1574 7.3765 7.3959 7.5568 7.5753 7.6690 7.6887 8.5614 8.5728 k = 0.5850 0.0432-0.5685 ( 7974 PWs) bands (ev): -9.4856 -9.4855 -8.2772 -8.2771 -7.4457 -7.4455 -7.2370 -7.2368 -7.1392 -7.1389 -6.9021 -6.9019 -4.1463 -4.1461 -2.4666 -2.4659 0.1085 0.1121 0.4228 0.4288 0.6994 0.7134 0.9912 1.0065 1.4254 1.4364 2.1500 2.1576 2.6354 2.6664 2.9423 2.9799 3.0261 3.0368 3.2045 3.2445 3.4298 3.4788 3.6997 3.7249 3.9973 4.0080 4.1003 4.1143 4.2579 4.2751 4.5526 4.5847 4.7395 4.7830 5.5326 5.5417 5.9032 5.9087 6.0238 6.0317 6.3539 6.3692 6.4647 6.4785 6.5079 6.5130 6.7963 6.8030 7.1253 7.1399 7.3938 7.4128 7.5654 7.5840 7.6848 7.7016 8.5696 8.5815 k = 0.5755 0.0638-0.5685 ( 7980 PWs) bands (ev): -9.4871 -9.4871 -8.2824 -8.2823 -7.4519 -7.4517 -7.2177 -7.2176 -7.1432 -7.1429 -6.8965 -6.8963 -4.1528 -4.1526 -2.4739 -2.4732 0.0905 0.0936 0.4215 0.4268 0.7138 0.7268 0.9990 1.0132 1.4612 1.4712 2.1362 2.1428 2.6719 2.7039 2.9260 2.9598 3.0171 3.0281 3.1892 3.2274 3.4229 3.4731 3.6963 3.7220 3.9582 3.9697 4.0966 4.1098 4.2629 4.2796 4.5468 4.5773 4.7147 4.7577 5.5468 5.5552 5.9147 5.9201 6.0412 6.0490 6.3500 6.3652 6.4645 6.4783 6.5064 6.5118 6.7954 6.8019 7.1099 7.1224 7.4130 7.4322 7.5679 7.5862 7.7055 7.7191 8.5771 8.5895 k = 0.5661 0.0845-0.5685 ( 7966 PWs) bands (ev): -9.4886 -9.4886 -8.2871 -8.2870 -7.4575 -7.4573 -7.1995 -7.1993 -7.1464 -7.1461 -6.8918 -6.8916 -4.1592 -4.1590 -2.4808 -2.4803 0.0743 0.0771 0.4195 0.4242 0.7277 0.7396 1.0079 1.0209 1.4950 1.5041 2.1226 2.1281 2.7071 2.7409 2.9100 2.9394 3.0097 3.0235 3.1763 3.2122 3.4156 3.4666 3.6909 3.7172 3.9185 3.9311 4.0947 4.1069 4.2678 4.2839 4.5369 4.5638 4.6974 4.7370 5.5594 5.5670 5.9272 5.9323 6.0574 6.0650 6.3466 6.3612 6.4643 6.4776 6.5053 6.5107 6.7947 6.8008 7.0949 7.1055 7.4336 7.4534 7.5673 7.5858 7.7263 7.7374 8.5843 8.5972 k = 0.5567 0.1051-0.5685 ( 7970 PWs) bands (ev): -9.4901 -9.4901 -8.2913 -8.2913 -7.4625 -7.4623 -7.1831 -7.1829 -7.1484 -7.1481 -6.8880 -6.8879 -4.1654 -4.1652 -2.4873 -2.4868 0.0601 0.0625 0.4173 0.4215 0.7407 0.7513 1.0173 1.0290 1.5263 1.5344 2.1096 2.1142 2.7392 2.7753 2.8952 2.9200 3.0042 3.0219 3.1673 3.2006 3.4084 3.4595 3.6823 3.7092 3.8814 3.8948 4.0940 4.1050 4.2724 4.2878 4.5231 4.5450 4.6875 4.7213 5.5700 5.5767 5.9400 5.9447 6.0723 6.0795 6.3437 6.3574 6.4640 6.4763 6.5046 6.5098 6.7940 6.7996 7.0810 7.0899 7.4545 7.4755 7.5657 7.5852 7.7442 7.7534 8.5919 8.6052 k = 0.5472 0.1257-0.5685 ( 7984 PWs) bands (ev): -9.4914 -9.4914 -8.2950 -8.2950 -7.4668 -7.4667 -7.1706 -7.1704 -7.1478 -7.1474 -6.8851 -6.8850 -4.1710 -4.1709 -2.4932 -2.4928 0.0480 0.0500 0.4153 0.4188 0.7524 0.7616 1.0266 1.0367 1.5544 1.5614 2.0977 2.1013 2.7666 2.8051 2.8821 2.9027 3.0009 3.0218 3.1634 3.1942 3.4014 3.4519 3.6693 3.6964 3.8501 3.8636 4.0943 4.1039 4.2767 4.2911 4.5067 4.5234 4.6830 4.7102 5.5788 5.5844 5.9523 5.9564 6.0855 6.0921 6.3415 6.3538 6.4638 6.4747 6.5043 6.5089 6.7934 6.7983 7.0688 7.0760 7.4747 7.4968 7.5650 7.5857 7.7577 7.7654 8.6003 8.6136 k = 0.5378 0.1464-0.5685 ( 7978 PWs) bands (ev): -9.4925 -9.4925 -8.2981 -8.2981 -7.4704 -7.4703 -7.1647 -7.1646 -7.1420 -7.1418 -6.8831 -6.8830 -4.1760 -4.1759 -2.4982 -2.4979 0.0381 0.0397 0.4136 0.4163 0.7627 0.7702 1.0351 1.0436 1.5787 1.5846 2.0872 2.0900 2.7880 2.8280 2.8711 2.8891 2.9997 3.0217 3.1657 3.1942 3.3951 3.4437 3.6520 3.6778 3.8271 3.8393 4.0953 4.1034 4.2806 4.2935 4.4898 4.5020 4.6817 4.7024 5.5857 5.5903 5.9635 5.9670 6.0970 6.1028 6.3399 6.3504 6.4638 6.4729 6.5042 6.5081 6.7929 6.7970 7.0585 7.0642 7.4926 7.5147 7.5672 7.5882 7.7664 7.7728 8.6095 8.6223 k = 0.5283 0.1670-0.5685 ( 7976 PWs) bands (ev): -9.4934 -9.4934 -8.3005 -8.3005 -7.4732 -7.4731 -7.1636 -7.1635 -7.1335 -7.1334 -6.8817 -6.8816 -4.1800 -4.1799 -2.5023 -2.5020 0.0304 0.0315 0.4122 0.4143 0.7712 0.7769 1.0425 1.0490 1.5988 1.6033 2.0786 2.0806 2.8031 2.8410 2.8638 2.8805 3.0003 3.0202 3.1741 3.1997 3.3905 3.4346 3.6325 3.6550 3.8126 3.8222 4.0968 4.1033 4.2841 4.2951 4.4744 4.4832 4.6822 4.6970 5.5911 5.5946 5.9730 5.9757 6.1065 6.1111 6.3390 6.3473 6.4640 6.4711 6.5043 6.5073 6.7925 6.7957 7.0505 7.0547 7.5069 7.5260 7.5745 7.5928 7.7707 7.7759 8.6190 8.6305 k = 0.5189 0.1876-0.5685 ( 7978 PWs) bands (ev): -9.4941 -9.4941 -8.3023 -8.3023 -7.4752 -7.4752 -7.1638 -7.1638 -7.1261 -7.1260 -6.8809 -6.8809 -4.1830 -4.1829 -2.5053 -2.5051 0.0249 0.0257 0.4114 0.4128 0.7777 0.7816 1.0484 1.0529 1.6138 1.6170 2.0722 2.0735 2.8130 2.8401 2.8650 2.8764 3.0022 3.0172 3.1869 3.2074 3.3888 3.4240 3.6151 3.6322 3.8047 3.8112 4.0986 4.1032 4.2874 4.2955 4.4624 4.4682 4.6836 4.6931 5.5949 5.5973 5.9802 5.9821 6.1138 6.1170 6.3388 6.3446 6.4645 6.4694 6.5045 6.5066 6.7923 6.7945 7.0449 7.0477 7.5172 7.5302 7.5857 7.5984 7.7720 7.7758 8.6281 8.6369 k = 0.5094 0.2082-0.5685 ( 7994 PWs) bands (ev): -9.4945 -9.4945 -8.3034 -8.3033 -7.4764 -7.4764 -7.1642 -7.1641 -7.1213 -7.1213 -6.8805 -6.8805 -4.1848 -4.1848 -2.5071 -2.5070 0.0216 0.0220 0.4110 0.4117 0.7821 0.7840 1.0525 1.0548 1.6234 1.6251 2.0683 2.0689 2.8200 2.8332 2.8693 2.8745 3.0052 3.0132 3.2002 3.2121 3.3919 3.4119 3.6045 3.6139 3.8015 3.8047 4.1004 4.1027 4.2904 4.2947 4.4553 4.4582 4.6854 4.6901 5.5974 5.5986 5.9848 5.9858 6.1186 6.1202 6.3394 6.3423 6.4653 6.4678 6.5049 6.5059 6.7924 6.7935 7.0418 7.0432 7.5239 7.5303 7.5960 7.6023 7.7721 7.7741 8.6354 8.6402 k = 0.5000 0.2289-0.5685 ( 8000 PWs) bands (ev): -9.4947 -9.4947 -8.3037 -8.3037 -7.4768 -7.4768 -7.1643 -7.1643 -7.1196 -7.1196 -6.8804 -6.8804 -4.1854 -4.1854 -2.5076 -2.5076 0.0207 0.0207 0.4111 0.4111 0.7842 0.7842 1.0547 1.0547 1.6272 1.6272 2.0672 2.0672 2.8263 2.8263 2.8725 2.8725 3.0090 3.0090 3.2098 3.2098 3.4002 3.4002 3.6040 3.6040 3.8016 3.8016 4.1018 4.1018 4.2929 4.2929 4.4538 4.4538 4.6876 4.6876 5.5986 5.5986 5.9867 5.9867 6.1207 6.1207 6.3405 6.3405 6.4664 6.4664 6.5053 6.5053 6.7927 6.7927 7.0412 7.0412 7.5281 7.5281 7.6019 7.6019 7.7726 7.7726 8.6397 8.6397 k = 0.5000 0.2289-0.5685 ( 8000 PWs) bands (ev): -9.4947 -9.4947 -8.3037 -8.3037 -7.4768 -7.4768 -7.1643 -7.1643 -7.1196 -7.1196 -6.8804 -6.8804 -4.1854 -4.1854 -2.5076 -2.5076 0.0207 0.0207 0.4111 0.4111 0.7842 0.7842 1.0547 1.0547 1.6272 1.6272 2.0672 2.0672 2.8263 2.8263 2.8725 2.8725 3.0090 3.0090 3.2098 3.2098 3.4002 3.4002 3.6040 3.6040 3.8016 3.8016 4.1018 4.1018 4.2929 4.2929 4.4538 4.4538 4.6876 4.6876 5.5986 5.5986 5.9867 5.9867 6.1207 6.1207 6.3405 6.3405 6.4664 6.4664 6.5053 6.5053 6.7927 6.7927 7.0412 7.0412 7.5281 7.5281 7.6019 7.6019 7.7726 7.7726 8.6397 8.6397 k = 0.5142 0.2354-0.5534 ( 7990 PWs) bands (ev): -9.4948 -9.4948 -8.3040 -8.3040 -7.4770 -7.4770 -7.1638 -7.1637 -7.1192 -7.1191 -6.8804 -6.8804 -4.1858 -4.1857 -2.5080 -2.5078 0.0205 0.0210 0.4112 0.4117 0.7817 0.7830 1.0544 1.0565 1.6261 1.6276 2.0671 2.0688 2.8223 2.8293 2.8684 2.8781 3.0040 3.0136 3.2044 3.2135 3.3972 3.4061 3.6036 3.6084 3.7956 3.7987 4.0994 4.1070 4.2907 4.2978 4.4511 4.4559 4.6856 4.6880 5.5990 5.5996 5.9870 5.9872 6.1206 6.1208 6.3401 6.3407 6.4657 6.4668 6.5049 6.5067 6.7926 6.7936 7.0400 7.0409 7.5263 7.5301 7.5969 7.6030 7.7728 7.7779 8.6385 8.6408 k = 0.5283 0.2418-0.5383 ( 7977 PWs) bands (ev): -9.4950 -9.4950 -8.3048 -8.3048 -7.4775 -7.4775 -7.1622 -7.1620 -7.1178 -7.1176 -6.8806 -6.8806 -4.1867 -4.1867 -2.5089 -2.5086 0.0204 0.0213 0.4120 0.4131 0.7756 0.7782 1.0557 1.0597 1.6241 1.6271 2.0686 2.0720 2.8174 2.8312 2.8661 2.8850 2.9988 3.0178 3.1982 3.2155 3.3973 3.4141 3.6074 3.6167 3.7816 3.7877 4.0997 4.1142 4.2907 4.3050 4.4477 4.4575 4.6821 4.6869 5.6008 5.6020 5.9882 5.9886 6.1204 6.1208 6.3393 6.3406 6.4648 6.4669 6.5053 6.5089 6.7932 6.7952 7.0372 7.0391 7.5243 7.5322 7.5887 7.6008 7.7782 7.7879 8.6372 8.6419 k = 0.5425 0.2483-0.5233 ( 7973 PWs) bands (ev): -9.4955 -9.4954 -8.3062 -8.3062 -7.4783 -7.4782 -7.1597 -7.1594 -7.1154 -7.1151 -6.8809 -6.8809 -4.1884 -4.1883 -2.5103 -2.5099 0.0204 0.0218 0.4134 0.4151 0.7664 0.7700 1.0582 1.0639 1.6213 1.6258 2.0718 2.0767 2.8117 2.8317 2.8656 2.8930 2.9935 3.0218 3.1921 3.2161 3.4001 3.4228 3.6153 3.6283 3.7614 3.7707 4.1014 4.1220 4.2925 4.3140 4.4439 4.4592 4.6772 4.6842 5.6039 5.6057 5.9901 5.9908 6.1202 6.1208 6.3382 6.3402 6.4637 6.4669 6.5066 6.5118 6.7945 6.7975 7.0330 7.0358 7.5217 7.5343 7.5786 7.5968 7.7879 7.8016 8.6360 8.6429 k = 0.5567 0.2548-0.5082 ( 7982 PWs) bands (ev): -9.4961 -9.4961 -8.3082 -8.3081 -7.4792 -7.4792 -7.1564 -7.1560 -7.1119 -7.1115 -6.8813 -6.8813 -4.1907 -4.1905 -2.5122 -2.5117 0.0206 0.0224 0.4154 0.4176 0.7545 0.7589 1.0615 1.0687 1.6179 1.6237 2.0766 2.0829 2.8054 2.8309 2.8668 2.9018 2.9885 3.0258 3.1868 3.2161 3.4043 3.4312 3.6268 3.6426 3.7372 3.7508 4.1035 4.1291 4.2952 4.3241 4.4401 4.4613 4.6707 4.6798 5.6084 5.6107 5.9928 5.9936 6.1198 6.1206 6.3369 6.3396 6.4625 6.4667 6.5085 6.5151 6.7964 6.8003 7.0273 7.0311 7.5180 7.5352 7.5687 7.5925 7.8008 7.8178 8.6351 8.6442 k = 0.5708 0.2613-0.4931 ( 7982 PWs) bands (ev): -9.4969 -9.4969 -8.3106 -8.3105 -7.4802 -7.4801 -7.1525 -7.1520 -7.1074 -7.1069 -6.8818 -6.8818 -4.1936 -4.1934 -2.5147 -2.5140 0.0211 0.0233 0.4178 0.4204 0.7404 0.7455 1.0649 1.0733 1.6139 1.6207 2.0829 2.0905 2.7985 2.8289 2.8690 2.9108 2.9842 3.0302 3.1829 3.2166 3.4087 3.4383 3.6401 3.6578 3.7121 3.7325 4.1051 4.1347 4.2977 4.3337 4.4371 4.4644 4.6628 4.6738 5.6141 5.6169 5.9961 5.9971 6.1195 6.1204 6.3353 6.3386 6.4614 6.4664 6.5110 6.5189 6.7989 6.8037 7.0203 7.0251 7.5127 7.5323 7.5624 7.5896 7.8158 7.8358 8.6347 8.6459 k = 0.5850 0.2678-0.4780 ( 7976 PWs) bands (ev): -9.4980 -9.4979 -8.3134 -8.3134 -7.4810 -7.4810 -7.1482 -7.1476 -7.1018 -7.1013 -6.8824 -6.8824 -4.1972 -4.1970 -2.5176 -2.5168 0.0218 0.0244 0.4202 0.4233 0.7247 0.7302 1.0681 1.0774 1.6093 1.6171 2.0909 2.0995 2.7914 2.8263 2.8715 2.9190 2.9817 3.0357 3.1806 3.2183 3.4118 3.4433 3.6497 3.6658 3.6948 3.7240 4.1058 4.1386 4.2989 4.3411 4.4359 4.4690 4.6533 4.6661 5.6211 5.6242 5.9999 6.0010 6.1191 6.1202 6.3336 6.3375 6.4603 6.4663 6.5138 6.5229 6.8019 6.8076 7.0123 7.0179 7.5058 7.5241 7.5618 7.5885 7.8323 7.8549 8.6352 8.6483 k = 0.5991 0.2743-0.4630 ( 7974 PWs) bands (ev): -9.4992 -9.4992 -8.3166 -8.3166 -7.4817 -7.4817 -7.1435 -7.1429 -7.0952 -7.0946 -6.8831 -6.8831 -4.2015 -4.2013 -2.5209 -2.5201 0.0229 0.0259 0.4226 0.4260 0.7077 0.7136 1.0704 1.0804 1.6042 1.6128 2.1004 2.1099 2.7842 2.8232 2.8736 2.9247 2.9829 3.0428 3.1799 3.2216 3.4122 3.4453 3.6466 3.6518 3.7048 3.7326 4.1054 4.1409 4.2980 4.3446 4.4377 4.4750 4.6425 4.6569 5.6291 5.6325 6.0041 6.0053 6.1186 6.1199 6.3318 6.3362 6.4594 6.4662 6.5169 6.5270 6.8054 6.8119 7.0033 7.0098 7.4976 7.5129 7.5648 7.5894 7.8496 7.8747 8.6367 8.6517 k = 0.6133 0.2807-0.4479 ( 7973 PWs) bands (ev): -9.5008 -9.5008 -8.3201 -8.3201 -7.4820 -7.4819 -7.1387 -7.1380 -7.0878 -7.0871 -6.8839 -6.8838 -4.2065 -4.2063 -2.5246 -2.5237 0.0245 0.0277 0.4247 0.4284 0.6900 0.6960 1.0716 1.0821 1.5988 1.6079 2.1113 2.1215 2.7772 2.8200 2.8752 2.9265 2.9891 3.0519 3.1809 3.2267 3.4091 3.4439 3.6297 3.6395 3.7272 3.7528 4.1040 4.1419 4.2946 4.3435 4.4425 4.4823 4.6304 4.6462 5.6381 5.6417 6.0086 6.0099 6.1181 6.1196 6.3298 6.3347 6.4587 6.4663 6.5201 6.5311 6.8092 6.8165 6.9937 7.0011 7.4886 7.5009 7.5692 7.5916 7.8673 7.8949 8.6393 8.6561 k = 0.6275 0.2872-0.4328 ( 7981 PWs) bands (ev): -9.5026 -9.5026 -8.3239 -8.3239 -7.4817 -7.4817 -7.1336 -7.1329 -7.0795 -7.0788 -6.8847 -6.8846 -4.2122 -4.2119 -2.5287 -2.5277 0.0265 0.0300 0.4261 0.4300 0.6717 0.6780 1.0713 1.0821 1.5930 1.6025 2.1234 2.1343 2.7708 2.8171 2.8759 2.9250 2.9998 3.0629 3.1834 3.2334 3.4021 3.4386 3.6134 3.6310 3.7533 3.7776 4.1020 4.1418 4.2887 4.3382 4.4495 4.4904 4.6173 4.6344 5.6479 5.6518 6.0131 6.0145 6.1177 6.1192 6.3278 6.3331 6.4582 6.4665 6.5233 6.5351 6.8134 6.8213 6.9839 6.9922 7.4794 7.4892 7.5739 7.5946 7.8851 7.9151 8.6433 8.6616 k = 0.6416 0.2937-0.4178 ( 7974 PWs) bands (ev): -9.5048 -9.5048 -8.3279 -8.3278 -7.4809 -7.4809 -7.1285 -7.1277 -7.0707 -7.0700 -6.8855 -6.8855 -4.2186 -4.2183 -2.5330 -2.5320 0.0290 0.0328 0.4267 0.4307 0.6533 0.6598 1.0692 1.0802 1.5870 1.5968 2.1367 2.1479 2.7650 2.8147 2.8760 2.9216 3.0132 3.0757 3.1873 3.2415 3.3922 3.4298 3.6022 3.6262 3.7811 3.8044 4.0995 4.1410 4.2808 4.3298 4.4573 4.4985 4.6035 4.6219 5.6585 5.6625 6.0177 6.0191 6.1172 6.1188 6.3258 6.3315 6.4580 6.4669 6.5264 6.5389 6.8178 6.8263 6.9741 6.9835 7.4704 7.4783 7.5782 7.5978 7.9027 7.9350 8.6485 8.6680 k = 0.6416 0.2937-0.4178 ( 7974 PWs) bands (ev): -9.5048 -9.5048 -8.3279 -8.3278 -7.4809 -7.4809 -7.1285 -7.1277 -7.0707 -7.0700 -6.8855 -6.8855 -4.2186 -4.2183 -2.5330 -2.5320 0.0290 0.0328 0.4267 0.4307 0.6533 0.6598 1.0692 1.0802 1.5870 1.5968 2.1367 2.1479 2.7650 2.8147 2.8760 2.9216 3.0132 3.0757 3.1873 3.2415 3.3922 3.4298 3.6022 3.6262 3.7811 3.8044 4.0995 4.1410 4.2808 4.3298 4.4573 4.4985 4.6035 4.6219 5.6585 5.6625 6.0177 6.0191 6.1172 6.1188 6.3258 6.3315 6.4580 6.4669 6.5264 6.5389 6.8178 6.8263 6.9741 6.9835 7.4704 7.4783 7.5782 7.5978 7.9027 7.9350 8.6485 8.6680 k = 0.6360 0.2911-0.3950 ( 7976 PWs) bands (ev): -9.5087 -9.5086 -8.3417 -8.3416 -7.4671 -7.4671 -7.1220 -7.1213 -7.0601 -7.0594 -6.8821 -6.8821 -4.2283 -4.2281 -2.5428 -2.5418 0.0318 0.0358 0.4199 0.4243 0.6291 0.6355 1.0527 1.0638 1.5732 1.5830 2.1818 2.1934 2.7571 2.8069 2.8849 2.9297 3.0278 3.0872 3.1968 3.2429 3.4016 3.4349 3.6026 3.6293 3.7802 3.8048 4.0932 4.1379 4.2543 4.3015 4.4493 4.4876 4.5928 4.6094 5.6864 5.6907 6.0236 6.0250 6.1193 6.1204 6.3258 6.3318 6.4574 6.4671 6.5302 6.5453 6.8112 6.8219 6.9747 6.9853 7.4584 7.4644 7.5824 7.5993 7.9235 7.9653 8.6645 8.6894 k = 0.6303 0.2885-0.3723 ( 7968 PWs) bands (ev): -9.5136 -9.5136 -8.3567 -8.3566 -7.4505 -7.4505 -7.1151 -7.1144 -7.0478 -7.0471 -6.8781 -6.8780 -4.2407 -4.2405 -2.5540 -2.5529 0.0344 0.0385 0.4120 0.4168 0.6046 0.6107 1.0311 1.0423 1.5554 1.5646 2.2335 2.2454 2.7530 2.8017 2.8916 2.9363 3.0461 3.1016 3.2054 3.2433 3.4098 3.4402 3.6034 3.6320 3.7809 3.8071 4.0870 4.1324 4.2330 4.2761 4.4404 4.4754 4.5814 4.5962 5.7169 5.7217 6.0297 6.0313 6.1211 6.1220 6.3261 6.3321 6.4574 6.4676 6.5338 6.5513 6.8046 6.8174 6.9769 6.9886 7.4466 7.4512 7.5831 7.5976 7.9454 7.9953 8.6810 8.7120 k = 0.6246 0.2859-0.3496 ( 7959 PWs) bands (ev): -9.5195 -9.5195 -8.3726 -8.3726 -7.4314 -7.4313 -7.1078 -7.1071 -7.0339 -7.0333 -6.8735 -6.8733 -4.2556 -4.2553 -2.5664 -2.5652 0.0366 0.0408 0.4034 0.4084 0.5803 0.5862 1.0057 1.0168 1.5329 1.5412 2.2890 2.3013 2.7533 2.8000 2.8958 2.9409 3.0665 3.1193 3.2129 3.2439 3.4176 3.4454 3.6044 3.6339 3.7836 3.8115 4.0809 4.1231 4.2185 4.2549 4.4316 4.4635 4.5699 4.5830 5.7492 5.7546 6.0358 6.0377 6.1225 6.1237 6.3267 6.3325 6.4581 6.4684 6.5370 6.5566 6.7982 6.8129 6.9810 6.9935 7.4352 7.4389 7.5807 7.5931 7.9667 8.0233 8.6943 8.7319 k = 0.6190 0.2833-0.3268 ( 7961 PWs) bands (ev): -9.5263 -9.5263 -8.3893 -8.3892 -7.4100 -7.4099 -7.1002 -7.0995 -7.0188 -7.0182 -6.8683 -6.8681 -4.2727 -4.2725 -2.5798 -2.5786 0.0383 0.0427 0.3944 0.3995 0.5568 0.5628 0.9774 0.9884 1.5055 1.5127 2.3458 2.3582 2.7575 2.8018 2.8965 2.9417 3.0874 3.1405 3.2193 3.2489 3.4265 3.4506 3.6050 3.6343 3.7884 3.8183 4.0746 4.1105 4.2097 4.2379 4.4237 4.4527 4.5592 4.5711 5.7824 5.7886 6.0416 6.0441 6.1237 6.1255 6.3276 6.3331 6.4594 6.4697 6.5393 6.5609 6.7923 6.8084 6.9872 7.0004 7.4242 7.4277 7.5757 7.5863 7.9863 8.0482 8.7007 8.7407 k = 0.6133 0.2807-0.3041 ( 7978 PWs) bands (ev): -9.5338 -9.5338 -8.4064 -8.4063 -7.3866 -7.3865 -7.0924 -7.0916 -7.0027 -7.0021 -6.8625 -6.8623 -4.2920 -4.2917 -2.5940 -2.5928 0.0395 0.0439 0.3854 0.3904 0.5349 0.5410 0.9470 0.9579 1.4736 1.4795 2.4011 2.4133 2.7647 2.8065 2.8923 2.9367 3.1066 3.1635 3.2283 3.2634 3.4377 3.4565 3.6055 3.6335 3.7955 3.8273 4.0682 4.0966 4.2032 4.2244 4.4166 4.4429 4.5515 4.5625 5.8159 5.8230 6.0471 6.0502 6.1248 6.1273 6.3287 6.3338 6.4614 6.4713 6.5407 6.5638 6.7873 6.8044 6.9958 7.0092 7.4135 7.4172 7.5683 7.5775 8.0035 8.0691 8.7011 8.7399 k = 0.6076 0.2781-0.2813 ( 7969 PWs) bands (ev): -9.5420 -9.5419 -8.4237 -8.4236 -7.3615 -7.3613 -7.0842 -7.0834 -6.9858 -6.9853 -6.8563 -6.8561 -4.3132 -4.3129 -2.6089 -2.6077 0.0400 0.0444 0.3766 0.3813 0.5151 0.5215 0.9153 0.9261 1.4374 1.4420 2.4522 2.4637 2.7734 2.8129 2.8824 2.9247 3.1242 3.1822 3.2495 3.2889 3.4518 3.4638 3.6070 3.6326 3.8048 3.8382 4.0618 4.0838 4.1956 4.2131 4.4085 4.4324 4.5498 4.5602 5.8493 5.8572 6.0524 6.0561 6.1259 6.1290 6.3298 6.3347 6.4637 6.4733 6.5410 6.5651 6.7840 6.8015 7.0066 7.0202 7.4030 7.4070 7.5590 7.5670 8.0179 8.0856 8.6984 8.7357 k = 0.6020 0.2756-0.2586 ( 7970 PWs) bands (ev): -9.5506 -9.5505 -8.4411 -8.4410 -7.3349 -7.3347 -7.0757 -7.0750 -6.9684 -6.9679 -6.8497 -6.8495 -4.3361 -4.3359 -2.6243 -2.6231 0.0397 0.0440 0.3680 0.3721 0.4977 0.5047 0.8829 0.8937 1.3976 1.4010 2.4957 2.5060 2.7812 2.8190 2.8689 2.9080 3.1416 3.1956 3.2851 3.3231 3.4653 3.4750 3.6126 3.6347 3.8159 3.8507 4.0555 4.0729 4.1860 4.2030 4.3967 4.4189 4.5571 4.5670 5.8819 5.8906 6.0571 6.0616 6.1271 6.1309 6.3310 6.3358 6.4659 6.4753 6.5401 6.5646 6.7833 6.8005 7.0196 7.0331 7.3924 7.3968 7.5481 7.5552 8.0291 8.0976 8.6940 8.7299 k = 0.5963 0.2730-0.2359 ( 7968 PWs) bands (ev): -9.5595 -9.5595 -8.4583 -8.4583 -7.3072 -7.3070 -7.0671 -7.0663 -6.9507 -6.9503 -6.8428 -6.8426 -4.3605 -4.3603 -2.6399 -2.6387 0.0384 0.0426 0.3598 0.3630 0.4832 0.4909 0.8506 0.8614 1.3551 1.3573 2.5263 2.5358 2.7850 2.8203 2.8601 2.8936 3.1603 3.2092 3.3265 3.3616 3.4724 3.4917 3.6285 3.6451 3.8288 3.8646 4.0491 4.0641 4.1752 4.1934 4.3796 4.4012 4.5744 4.5834 5.9134 5.9229 6.0612 6.0665 6.1284 6.1329 6.3321 6.3369 6.4677 6.4770 6.5380 6.5620 6.7860 6.8022 7.0344 7.0475 7.3815 7.3864 7.5360 7.5425 8.0371 8.1052 8.6888 8.7233 k = 0.5906 0.2704-0.2131 ( 7965 PWs) bands (ev): -9.5687 -9.5686 -8.4753 -8.4752 -7.2786 -7.2784 -7.0582 -7.0575 -6.9330 -6.9326 -6.8357 -6.8354 -4.3861 -4.3858 -2.6556 -2.6545 0.0363 0.0403 0.3520 0.3542 0.4715 0.4802 0.8191 0.8301 1.3105 1.3118 2.5367 2.5477 2.7843 2.8146 2.8656 2.8894 3.1801 3.2254 3.3652 3.3973 3.4760 3.5067 3.6613 3.6712 3.8430 3.8796 4.0425 4.0564 4.1646 4.1850 4.3577 4.3799 4.6002 4.6080 5.9434 5.9533 6.0649 6.0709 6.1301 6.1352 6.3330 6.3382 6.4684 6.4778 6.5347 6.5574 6.7930 6.8075 7.0504 7.0629 7.3700 7.3754 7.5235 7.5296 8.0418 8.1085 8.6830 8.7160 k = 0.5850 0.2678-0.1904 ( 7967 PWs) bands (ev): -9.5780 -9.5779 -8.4918 -8.4918 -7.2496 -7.2493 -7.0493 -7.0486 -6.9155 -6.9151 -6.8283 -6.8281 -4.4126 -4.4123 -2.6713 -2.6701 0.0332 0.0370 0.3446 0.3456 0.4624 0.4721 0.7894 0.8005 1.2645 1.2654 2.5229 2.5359 2.7854 2.8106 2.8825 2.8972 3.2002 3.2439 3.3937 3.4195 3.4845 3.5193 3.7105 3.7186 3.8585 3.8958 4.0364 4.0492 4.1553 4.1788 4.3323 4.3562 4.6321 4.6386 5.9711 5.9814 6.0680 6.0747 6.1322 6.1382 6.3337 6.3393 6.4678 6.4772 6.5302 6.5508 6.8048 6.8174 7.0670 7.0787 7.3577 7.3637 7.5113 7.5171 8.0431 8.1075 8.6768 8.7082 k = 0.5793 0.2652-0.1677 ( 7962 PWs) bands (ev): -9.5872 -9.5871 -8.5078 -8.5077 -7.2202 -7.2200 -7.0403 -7.0396 -6.8983 -6.8979 -6.8210 -6.8207 -4.4397 -4.4395 -2.6866 -2.6855 0.0293 0.0327 0.3375 0.3378 0.4553 0.4660 0.7623 0.7736 1.2178 1.2191 2.4878 2.5009 2.7927 2.8119 2.9063 2.9149 3.2192 3.2636 3.4037 3.4238 3.5064 3.5366 3.7690 3.7839 3.8754 3.9134 4.0314 4.0439 4.1480 4.1757 4.3051 4.3319 4.6679 4.6733 5.9962 6.0065 6.0706 6.0782 6.1351 6.1420 6.3342 6.3403 6.4657 6.4749 6.5245 6.5423 6.8219 6.8325 7.0833 7.0940 7.3445 7.3512 7.5002 7.5059 8.0409 8.1024 8.6703 8.6999 k = 0.5737 0.2626-0.1449 ( 7962 PWs) bands (ev): -9.5963 -9.5962 -8.5231 -8.5230 -7.1910 -7.1907 -7.0313 -7.0306 -6.8816 -6.8812 -6.8136 -6.8134 -4.4671 -4.4669 -2.7015 -2.7004 0.0245 0.0277 0.3303 0.3315 0.4493 0.4608 0.7390 0.7504 1.1715 1.1732 2.4382 2.4500 2.8029 2.8160 2.9333 2.9420 3.2359 3.2830 3.3946 3.4216 3.5355 3.5614 3.8304 3.8511 3.8941 3.9324 4.0308 4.0465 4.1427 4.1756 4.2784 4.3090 4.7059 4.7103 6.0180 6.0279 6.0728 6.0815 6.1391 6.1469 6.3344 6.3411 6.4620 6.4706 6.5173 6.5319 6.8443 6.8534 7.0984 7.1080 7.3304 7.3379 7.4913 7.4970 8.0352 8.0932 8.6633 8.6911 k = 0.5680 0.2600-0.1222 ( 7969 PWs) bands (ev): -9.6051 -9.6051 -8.5376 -8.5376 -7.1622 -7.1619 -7.0225 -7.0218 -6.8655 -6.8652 -6.8064 -6.8062 -4.4945 -4.4943 -2.7158 -2.7148 0.0192 0.0221 0.3239 0.3259 0.4434 0.4552 0.7208 0.7320 1.1261 1.1284 2.3799 2.3900 2.8123 2.8208 2.9628 2.9755 3.2492 3.3004 3.3786 3.4161 3.5666 3.5907 3.8802 3.8980 3.9148 3.9500 4.0482 4.0657 4.1409 4.1766 4.2580 4.2914 4.7449 4.7486 6.0358 6.0448 6.0746 6.0846 6.1446 6.1532 6.3343 6.3415 6.4570 6.4647 6.5084 6.5200 6.8718 6.8801 7.1113 7.1196 7.3155 7.3239 7.4855 7.4912 8.0258 8.0799 8.6556 8.6816 k = 0.5623 0.2574-0.0994 ( 7965 PWs) bands (ev): -9.6136 -9.6135 -8.5512 -8.5512 -7.1342 -7.1338 -7.0138 -7.0131 -6.8502 -6.8498 -6.7994 -6.7992 -4.5215 -4.5213 -2.7294 -2.7284 0.0135 0.0161 0.3184 0.3210 0.4365 0.4481 0.7087 0.7193 1.0826 1.0852 2.3171 2.3257 2.8197 2.8252 2.9949 3.0118 3.2582 3.3117 3.3657 3.4105 3.5975 3.6211 3.9044 3.9187 3.9365 3.9555 4.0827 4.1007 4.1505 4.1762 4.2580 4.2872 4.7840 4.7870 6.0494 6.0568 6.0764 6.0877 6.1517 6.1608 6.3339 6.3416 6.4509 6.4577 6.4976 6.5067 6.9039 6.9122 7.1215 7.1284 7.3003 7.3097 7.4835 7.4892 8.0123 8.0624 8.6471 8.6711 k = 0.5567 0.2548-0.0767 ( 7962 PWs) bands (ev): -9.6217 -9.6216 -8.5639 -8.5639 -7.1072 -7.1068 -7.0055 -7.0048 -6.8357 -6.8354 -6.7927 -6.7925 -4.5477 -4.5476 -2.7421 -2.7412 0.0075 0.0098 0.3138 0.3167 0.4281 0.4389 0.7031 0.7128 1.0413 1.0442 2.2525 2.2598 2.8250 2.8288 3.0276 3.0487 3.2629 3.3101 3.3656 3.4080 3.6269 3.6504 3.9060 3.9235 3.9470 3.9665 4.0872 4.1265 4.1641 4.1922 4.2960 4.3161 4.8224 4.8250 6.0588 6.0645 6.0782 6.0905 6.1599 6.1691 6.3331 6.3413 6.4438 6.4500 6.4850 6.4925 6.9400 6.9488 7.1283 7.1339 7.2855 7.2961 7.4855 7.4912 7.9946 8.0407 8.6374 8.6594 k = 0.5510 0.2522-0.0540 ( 7963 PWs) bands (ev): -9.6292 -9.6291 -8.5756 -8.5756 -7.0816 -7.0812 -6.9975 -6.9969 -6.8222 -6.8219 -6.7864 -6.7863 -4.5730 -4.5728 -2.7538 -2.7530 0.0015 0.0036 0.3099 0.3129 0.4181 0.4276 0.7037 0.7121 1.0029 1.0059 2.1882 2.1943 2.8288 2.8318 3.0586 3.0841 3.2648 3.3005 3.3762 3.4095 3.6537 3.6772 3.8972 3.9159 3.9482 3.9823 4.0782 4.1192 4.1805 4.2064 4.3712 4.3847 4.8597 4.8619 6.0647 6.0689 6.0801 6.0927 6.1680 6.1769 6.3319 6.3406 6.4359 6.4421 6.4708 6.4782 6.9786 6.9885 7.1320 7.1361 7.2723 7.2845 7.4912 7.4968 7.9725 8.0148 8.6261 8.6463 k = 0.5453 0.2496-0.0312 ( 7963 PWs) bands (ev): -9.6361 -9.6361 -8.5862 -8.5861 -7.0577 -7.0573 -6.9901 -6.9894 -6.8097 -6.8094 -6.7806 -6.7805 -4.5967 -4.5966 -2.7645 -2.7638 -0.0043 -0.0024 0.3065 0.3094 0.4069 0.4151 0.7095 0.7165 0.9679 0.9709 2.1256 2.1308 2.8314 2.8340 3.0847 3.1145 3.2671 3.2946 3.3900 3.4146 3.6772 3.7008 3.8852 3.9023 3.9428 3.9844 4.0732 4.1121 4.1950 4.2131 4.4626 4.4712 4.8956 4.8974 6.0680 6.0713 6.0819 6.0939 6.1746 6.1832 6.3304 6.3394 6.4270 6.4337 6.4562 6.4647 7.0179 7.0288 7.1327 7.1357 7.2631 7.2772 7.4998 7.5053 7.9457 7.9847 8.6129 8.6315 k = 0.5397 0.2470-0.0085 ( 7957 PWs) bands (ev): -9.6424 -9.6423 -8.5956 -8.5956 -7.0359 -7.0354 -6.9832 -6.9826 -6.7984 -6.7981 -6.7754 -6.7753 -4.6187 -4.6186 -2.7741 -2.7734 -0.0097 -0.0081 0.3034 0.3060 0.3956 0.4022 0.7190 0.7245 0.9370 0.9399 2.0660 2.0704 2.8333 2.8357 3.1031 3.1349 3.2755 3.2993 3.4039 3.4219 3.6968 3.7204 3.8722 3.8874 3.9270 3.9675 4.0803 4.1138 4.2080 4.2195 4.5563 4.5617 4.9300 4.9316 6.0698 6.0725 6.0831 6.0943 6.1784 6.1865 6.3286 6.3377 6.4171 6.4238 6.4435 6.4528 7.0540 7.0655 7.1312 7.1333 7.2618 7.2779 7.5104 7.5157 7.9143 7.9506 8.5977 8.6150 k = 0.5340 0.2444 0.0143 ( 7958 PWs) bands (ev): -9.6479 -9.6479 -8.6039 -8.6039 -7.0163 -7.0158 -6.9770 -6.9765 -6.7883 -6.7880 -6.7708 -6.7707 -4.6386 -4.6385 -2.7825 -2.7819 -0.0146 -0.0132 0.3004 0.3024 0.3851 0.3901 0.7302 0.7344 0.9107 0.9135 2.0107 2.0143 2.8347 2.8368 3.1126 3.1420 3.2950 3.3160 3.4170 3.4304 3.7120 3.7354 3.8594 3.8727 3.9036 3.9397 4.0942 4.1215 4.2205 4.2273 4.6460 4.6493 4.9634 4.9647 6.0707 6.0730 6.0835 6.0937 6.1787 6.1862 6.3269 6.3355 6.4065 6.4117 6.4349 6.4432 7.0821 7.0925 7.1278 7.1300 7.2741 7.2919 7.5219 7.5269 7.8784 7.9126 8.5806 8.5968 k = 0.5283 0.2418 0.0370 ( 7954 PWs) bands (ev): -9.6527 -9.6527 -8.6110 -8.6110 -6.9992 -6.9988 -6.9716 -6.9711 -6.7795 -6.7793 -6.7668 -6.7668 -4.6560 -4.6559 -2.7896 -2.7891 -0.0189 -0.0178 0.2972 0.2986 0.3760 0.3797 0.7414 0.7443 0.8899 0.8923 1.9609 1.9638 2.8357 2.8376 3.1148 3.1389 3.3243 3.3415 3.4290 3.4390 3.7217 3.7448 3.8475 3.8591 3.8777 3.9092 4.1091 4.1308 4.2329 4.2364 4.7270 4.7290 4.9961 4.9972 6.0711 6.0732 6.0828 6.0920 6.1751 6.1819 6.3253 6.3331 6.3960 6.3991 6.4296 6.4362 7.0988 7.1060 7.1232 7.1265 7.3034 7.3222 7.5331 7.5382 7.8384 7.8707 8.5623 8.5775 k = 0.5227 0.2392 0.0597 ( 7951 PWs) bands (ev): -9.6567 -9.6566 -8.6168 -8.6168 -6.9849 -6.9846 -6.9670 -6.9666 -6.7722 -6.7720 -6.7636 -6.7635 -4.6707 -4.6707 -2.7955 -2.7951 -0.0225 -0.0216 0.2938 0.2946 0.3688 0.3714 0.7506 0.7524 0.8751 0.8772 1.9178 1.9201 2.8364 2.8380 3.1130 3.1313 3.3584 3.3716 3.4395 3.4473 3.7249 3.7464 3.8369 3.8466 3.8553 3.8808 4.1222 4.1392 4.2446 4.2463 4.7951 4.7964 5.0290 5.0297 6.0712 6.0731 6.0810 6.0891 6.1683 6.1742 6.3242 6.3306 6.3868 6.3884 6.4263 6.4312 7.1058 7.1095 7.1183 7.1225 7.3463 7.3667 7.5430 7.5492 7.7949 7.8250 8.5441 8.5579 k = 0.5170 0.2367 0.0825 ( 7966 PWs) bands (ev): -9.6598 -9.6598 -8.6214 -8.6214 -6.9737 -6.9734 -6.9633 -6.9630 -6.7665 -6.7663 -6.7609 -6.7609 -4.6825 -4.6824 -2.8001 -2.7998 -0.0254 -0.0247 0.2904 0.2908 0.3637 0.3654 0.7565 0.7573 0.8666 0.8682 1.8826 1.8843 2.8370 2.8383 3.1099 3.1229 3.3927 3.4019 3.4485 3.4548 3.7205 3.7380 3.8288 3.8358 3.8411 3.8579 4.1328 4.1453 4.2551 4.2557 4.8472 4.8481 5.0613 5.0617 6.0709 6.0728 6.0783 6.0848 6.1600 6.1649 6.3235 6.3283 6.3795 6.3801 6.4244 6.4278 7.1072 7.1087 7.1139 7.1181 7.3965 7.4198 7.5509 7.5597 7.7485 7.7758 8.5278 8.5393 k = 0.5113 0.2341 0.1052 ( 7976 PWs) bands (ev): -9.6620 -9.6620 -8.6246 -8.6246 -6.9656 -6.9654 -6.9604 -6.9602 -6.7625 -6.7624 -6.7588 -6.7587 -4.6910 -4.6910 -2.8034 -2.8032 -0.0274 -0.0270 0.2875 0.2876 0.3603 0.3614 0.7591 0.7594 0.8631 0.8642 1.8565 1.8577 2.8374 2.8383 3.1072 3.1155 3.4229 3.4277 3.4562 3.4619 3.7101 3.7217 3.8249 3.8289 3.8330 3.8421 4.1408 4.1490 4.2633 4.2634 4.8826 4.8832 5.0901 5.0903 6.0700 6.0724 6.0757 6.0794 6.1528 6.1564 6.3232 6.3264 6.3744 6.3746 6.4234 6.4256 7.1063 7.1068 7.1107 7.1139 7.4485 7.4757 7.5572 7.5702 7.7002 7.7234 8.5151 8.5235 k = 0.5057 0.2315 0.1279 ( 7982 PWs) bands (ev): -9.6634 -9.6634 -8.6266 -8.6266 -6.9611 -6.9611 -6.9582 -6.9582 -6.7604 -6.7604 -6.7572 -6.7572 -4.6962 -4.6961 -2.8053 -2.8052 -0.0286 -0.0284 0.2855 0.2856 0.3586 0.3591 0.7597 0.7597 0.8625 0.8630 1.8406 1.8411 2.8378 2.8382 3.1060 3.1101 3.4428 3.4437 3.4640 3.4686 3.6996 3.7054 3.8245 3.8257 3.8284 3.8325 4.1463 4.1504 4.2685 4.2686 4.9026 4.9029 5.1105 5.1105 6.0688 6.0715 6.0743 6.0749 6.1484 6.1503 6.3234 6.3250 6.3714 6.3714 6.4231 6.4241 7.1050 7.1051 7.1092 7.1109 7.4958 7.5216 7.5695 7.5839 7.6524 7.6685 8.5077 8.5122 k = 0.5000 0.2289 0.1507 ( 7964 PWs) bands (ev): -9.6638 -9.6638 -8.6272 -8.6272 -6.9599 -6.9599 -6.9572 -6.9572 -6.7598 -6.7598 -6.7566 -6.7566 -4.6979 -4.6979 -2.8059 -2.8059 -0.0289 -0.0289 0.2848 0.2848 0.3582 0.3582 0.7597 0.7597 0.8627 0.8627 1.8353 1.8353 2.8380 2.8380 3.1069 3.1069 3.4485 3.4485 3.4704 3.4704 3.6968 3.6968 3.8251 3.8251 3.8278 3.8278 4.1495 4.1495 4.2704 4.2704 4.9091 4.9091 5.1178 5.1178 6.0693 6.0693 6.0739 6.0739 6.1476 6.1476 6.3240 6.3240 6.3704 6.3704 6.4234 6.4234 7.1045 7.1045 7.1093 7.1093 7.5257 7.5257 7.6055 7.6055 7.6175 7.6175 8.5067 8.5067 k = 0.5000-0.4317-0.2842 ( 7996 PWs) bands (ev): -9.5245 -9.5245 -8.2398 -8.2398 -7.5565 -7.5565 -7.0853 -7.0853 -7.0566 -7.0566 -6.9309 -6.9309 -4.2734 -4.2734 -2.5115 -2.5115 0.1137 0.1137 0.3166 0.3166 0.7051 0.7051 0.9915 0.9915 1.7125 1.7125 1.9743 1.9743 2.7527 2.7527 2.9386 2.9386 3.0067 3.0067 3.1738 3.1738 3.5469 3.5469 3.7784 3.7784 3.9826 3.9826 4.1216 4.1216 4.2166 4.2166 4.5100 4.5100 4.8860 4.8860 5.5918 5.5918 5.9914 5.9914 6.0933 6.0933 6.2935 6.2935 6.4811 6.4811 6.5187 6.5187 6.8395 6.8395 7.0212 7.0212 7.4640 7.4640 7.5038 7.5038 7.9229 7.9229 8.4617 8.4617 k = 0.5167-0.4183-0.2754 ( 8006 PWs) bands (ev): -9.5243 -9.5243 -8.2403 -8.2403 -7.5562 -7.5562 -7.0859 -7.0857 -7.0565 -7.0563 -6.9307 -6.9306 -4.2731 -4.2730 -2.5116 -2.5115 0.1122 0.1129 0.3179 0.3184 0.7038 0.7053 0.9919 0.9932 1.7105 1.7120 1.9749 1.9763 2.7500 2.7560 2.9329 2.9414 3.0023 3.0144 3.1701 3.1768 3.5399 3.5521 3.7644 3.7771 3.9879 3.9927 4.1169 4.1263 4.2132 4.2185 4.5091 4.5100 4.8829 4.8846 5.5918 5.5922 5.9917 5.9918 6.0931 6.0936 6.2931 6.2942 6.4802 6.4815 6.5184 6.5194 6.8396 6.8407 7.0198 7.0205 7.4633 7.4648 7.5017 7.5059 7.9222 7.9255 8.4599 8.4649 k = 0.5333-0.4048-0.2665 ( 8008 PWs) bands (ev): -9.5239 -9.5239 -8.2417 -8.2417 -7.5555 -7.5555 -7.0873 -7.0869 -7.0560 -7.0555 -6.9300 -6.9300 -4.2720 -4.2719 -2.5120 -2.5118 0.1086 0.1101 0.3222 0.3231 0.7015 0.7044 0.9942 0.9967 1.7061 1.7090 1.9780 1.9806 2.7481 2.7602 2.9254 2.9404 3.0017 3.0246 3.1657 3.1793 3.5309 3.5556 3.7388 3.7631 4.0062 4.0145 4.1122 4.1313 4.2082 4.2189 4.5074 4.5093 4.8754 4.8789 5.5922 5.5932 5.9929 5.9932 6.0929 6.0940 6.2931 6.2953 6.4788 6.4814 6.5184 6.5204 6.8410 6.8431 7.0164 7.0178 7.4625 7.4654 7.4998 7.5082 7.9234 7.9297 8.4596 8.4694 k = 0.5500-0.3913-0.2576 ( 7998 PWs) bands (ev): -9.5232 -9.5232 -8.2440 -8.2440 -7.5542 -7.5542 -7.0895 -7.0889 -7.0553 -7.0546 -6.9289 -6.9288 -4.2702 -4.2701 -2.5125 -2.5122 0.1034 0.1054 0.3290 0.3303 0.6982 0.7024 0.9983 1.0020 1.6997 1.7037 1.9832 1.9869 2.7470 2.7650 2.9169 2.9361 3.0044 3.0366 3.1605 3.1816 3.5198 3.5574 3.7070 3.7424 4.0308 4.0419 4.1077 4.1371 4.2020 4.2183 4.5051 4.5078 4.8638 4.8690 5.5932 5.5946 5.9949 5.9954 6.0929 6.0945 6.2935 6.2968 6.4772 6.4808 6.5189 6.5217 6.8437 6.8467 7.0111 7.0131 7.4613 7.4655 7.4989 7.5112 7.9261 7.9352 8.4612 8.4753 k = 0.5667-0.3779-0.2488 ( 7988 PWs) bands (ev): -9.5223 -9.5223 -8.2472 -8.2471 -7.5524 -7.5524 -7.0921 -7.0915 -7.0544 -7.0536 -6.9274 -6.9273 -4.2678 -4.2677 -2.5132 -2.5127 0.0969 0.0994 0.3379 0.3395 0.6941 0.6994 1.0041 1.0088 1.6916 1.6967 1.9902 1.9950 2.7466 2.7706 2.9081 2.9295 3.0089 3.0499 3.1548 3.1842 3.5065 3.5570 3.6730 3.7197 4.0554 4.0687 4.1045 4.1442 4.1956 4.2175 4.5023 4.5055 4.8484 4.8552 5.5947 5.5965 5.9976 5.9981 6.0930 6.0951 6.2944 6.2985 6.4754 6.4799 6.5197 6.5230 6.8475 6.8514 7.0039 7.0065 7.4597 7.4646 7.4998 7.5151 7.9298 7.9413 8.4649 8.4829 k = 0.5833-0.3644-0.2399 ( 7988 PWs) bands (ev): -9.5211 -9.5211 -8.2512 -8.2511 -7.5501 -7.5500 -7.0951 -7.0944 -7.0537 -7.0528 -6.9255 -6.9253 -4.2647 -4.2646 -2.5140 -2.5135 0.0896 0.0925 0.3483 0.3502 0.6894 0.6957 1.0112 1.0169 1.6824 1.6882 1.9986 2.0041 2.7469 2.7769 2.8992 2.9219 3.0140 3.0644 3.1488 3.1874 3.4909 3.5534 3.6401 3.6979 4.0751 4.0832 4.1101 4.1511 4.1931 4.2183 4.4992 4.5028 4.8295 4.8380 5.5966 5.5988 6.0006 6.0014 6.0933 6.0958 6.2955 6.3004 6.4735 6.4786 6.5207 6.5244 6.8524 6.8570 6.9949 6.9981 7.4576 7.4626 7.5027 7.5203 7.9341 7.9473 8.4712 8.4922 k = 0.6000-0.3509-0.2310 ( 7984 PWs) bands (ev): -9.5197 -9.5197 -8.2559 -8.2559 -7.5472 -7.5472 -7.0983 -7.0976 -7.0532 -7.0522 -6.9232 -6.9230 -4.2612 -4.2610 -2.5151 -2.5144 0.0819 0.0851 0.3598 0.3617 0.6841 0.6912 1.0195 1.0259 1.6724 1.6789 2.0078 2.0142 2.7480 2.7839 2.8904 2.9137 3.0187 3.0795 3.1430 3.1917 3.4732 3.5435 3.6126 3.6783 4.0796 4.0869 4.1236 4.1524 4.2019 4.2242 4.4961 4.4997 4.8077 4.8178 5.5991 5.6017 6.0039 6.0048 6.0939 6.0968 6.2970 6.3026 6.4716 6.4772 6.5218 6.5258 6.8583 6.8635 6.9843 6.9881 7.4554 7.4601 7.5076 7.5267 7.9382 7.9527 8.4804 8.5035 k = 0.6166-0.3375-0.2222 ( 7991 PWs) bands (ev): -9.5182 -9.5182 -8.2613 -8.2613 -7.5438 -7.5437 -7.1016 -7.1009 -7.0530 -7.0520 -6.9205 -6.9203 -4.2572 -4.2570 -2.5162 -2.5155 0.0742 0.0777 0.3716 0.3737 0.6786 0.6863 1.0285 1.0356 1.6620 1.6690 2.0176 2.0247 2.7496 2.7915 2.8820 2.9057 3.0227 3.0941 3.1384 3.1978 3.4540 3.5236 3.5952 3.6616 4.0705 4.0889 4.1279 4.1500 4.2214 4.2383 4.4934 4.4967 4.7836 4.7952 5.6020 5.6050 6.0071 6.0083 6.0947 6.0980 6.2989 6.3050 6.4698 6.4757 6.5228 6.5271 6.8649 6.8706 6.9722 6.9766 7.4535 7.4579 7.5140 7.5340 7.9417 7.9568 8.4924 8.5168 k = 0.6333-0.3240-0.2133 ( 7984 PWs) bands (ev): -9.5166 -9.5165 -8.2673 -8.2673 -7.5398 -7.5397 -7.1050 -7.1042 -7.0531 -7.0522 -6.9176 -6.9174 -4.2528 -4.2526 -2.5175 -2.5167 0.0667 0.0704 0.3835 0.3857 0.6729 0.6811 1.0378 1.0456 1.6515 1.6589 2.0277 2.0355 2.7519 2.7997 2.8740 2.8980 3.0255 3.1053 3.1380 3.2059 3.4340 3.4952 3.5868 3.6479 4.0574 4.0811 4.1243 4.1481 4.2438 4.2591 4.4911 4.4946 4.7578 4.7708 5.6056 5.6088 6.0101 6.0116 6.0959 6.0995 6.3011 6.3076 6.4680 6.4743 6.5239 6.5285 6.8722 6.8781 6.9591 6.9642 7.4523 7.4565 7.5213 7.5422 7.9439 7.9593 8.5073 8.5321 k = 0.6500-0.3105-0.2045 ( 7981 PWs) bands (ev): -9.5148 -9.5148 -8.2738 -8.2738 -7.5352 -7.5352 -7.1083 -7.1075 -7.0537 -7.0528 -6.9144 -6.9142 -4.2482 -4.2480 -2.5190 -2.5181 0.0596 0.0635 0.3950 0.3972 0.6673 0.6758 1.0471 1.0554 1.6411 1.6490 2.0380 2.0464 2.7546 2.8083 2.8666 2.8913 3.0273 3.1085 3.1461 3.2162 3.4146 3.4636 3.5829 3.6370 4.0398 4.0639 4.1201 4.1459 4.2650 4.2822 4.4891 4.4946 4.7308 4.7452 5.6096 5.6131 6.0129 6.0146 6.0975 6.1013 6.3035 6.3103 6.4663 6.4729 6.5248 6.5298 6.8796 6.8854 6.9455 6.9515 7.4519 7.4562 7.5293 7.5509 7.9447 7.9599 8.5247 8.5491 k = 0.6666-0.2971-0.1956 ( 7981 PWs) bands (ev): -9.5131 -9.5130 -8.2806 -8.2806 -7.5301 -7.5301 -7.1115 -7.1107 -7.0547 -7.0538 -6.9109 -6.9108 -4.2435 -4.2433 -2.5205 -2.5196 0.0531 0.0571 0.4055 0.4079 0.6620 0.6707 1.0559 1.0646 1.6312 1.6394 2.0485 2.0576 2.7575 2.8170 2.8597 2.8860 3.0281 3.1061 3.1597 3.2285 3.3971 3.4317 3.5811 3.6287 4.0176 4.0400 4.1166 4.1440 4.2827 4.3039 4.4879 4.4972 4.7033 4.7190 5.6141 5.6179 6.0151 6.0170 6.0994 6.1033 6.3062 6.3130 6.4648 6.4717 6.5255 6.5310 6.8860 6.8911 6.9327 6.9402 7.4525 7.4570 7.5377 7.5598 7.9437 7.9587 8.5439 8.5671 k = 0.6833-0.2836-0.1867 ( 7987 PWs) bands (ev): -9.5113 -9.5113 -8.2877 -8.2876 -7.5245 -7.5244 -7.1146 -7.1138 -7.0561 -7.0551 -6.9074 -6.9072 -4.2388 -4.2386 -2.5222 -2.5212 0.0473 0.0514 0.4148 0.4173 0.6573 0.6660 1.0638 1.0730 1.6219 1.6303 2.0592 2.0689 2.7604 2.8254 2.8535 2.8829 3.0280 3.1022 3.1734 3.2426 3.3832 3.4015 3.5805 3.6226 3.9909 4.0116 4.1135 4.1429 4.2956 4.3221 4.4878 4.5027 4.6760 4.6930 5.6191 5.6231 6.0168 6.0188 6.1016 6.1056 6.3090 6.3159 6.4634 6.4706 6.5261 6.5322 6.8883 6.8918 6.9243 6.9335 7.4541 7.4590 7.5461 7.5685 7.9409 7.9559 8.5641 8.5856 k = 0.7000-0.2702-0.1779 ( 7996 PWs) bands (ev): -9.5097 -9.5097 -8.2948 -8.2948 -7.5183 -7.5183 -7.1176 -7.1168 -7.0578 -7.0569 -6.9037 -6.9035 -4.2343 -4.2341 -2.5239 -2.5229 0.0423 0.0464 0.4224 0.4250 0.6534 0.6620 1.0703 1.0799 1.6133 1.6221 2.0703 2.0805 2.7630 2.8321 2.8487 2.8827 3.0275 3.0983 3.1840 3.2575 3.3704 3.3791 3.5807 3.6186 3.9603 3.9800 4.1106 4.1423 4.3032 4.3356 4.4888 4.5103 4.6499 4.6683 5.6246 5.6287 6.0180 6.0200 6.1041 6.1079 6.3120 6.3187 6.4621 6.4697 6.5266 6.5334 6.8820 6.8849 6.9249 6.9349 7.4566 7.4618 7.5543 7.5769 7.9363 7.9520 8.5842 8.6037 k = 0.7166-0.2567-0.1690 ( 7992 PWs) bands (ev): -9.5082 -9.5082 -8.3020 -8.3020 -7.5116 -7.5116 -7.1203 -7.1195 -7.0599 -7.0591 -6.9000 -6.8998 -4.2301 -4.2298 -2.5257 -2.5246 0.0381 0.0422 0.4280 0.4308 0.6506 0.6590 1.0750 1.0849 1.6057 1.6147 2.0819 2.0925 2.7650 2.8336 2.8488 2.8857 3.0265 3.0947 3.1896 3.2704 3.3510 3.3771 3.5818 3.6165 3.9266 3.9459 4.1080 4.1420 4.3059 4.3437 4.4898 4.5188 4.6262 4.6463 5.6306 5.6348 6.0187 6.0207 6.1068 6.1103 6.3150 6.3215 6.4610 6.4689 6.5269 6.5346 6.8696 6.8735 6.9319 6.9418 7.4596 7.4653 7.5620 7.5844 7.9302 7.9475 8.6032 8.6205 k = 0.7333-0.2432-0.1601 ( 7982 PWs) bands (ev): -9.5069 -9.5069 -8.3090 -8.3090 -7.5045 -7.5045 -7.1228 -7.1220 -7.0623 -7.0615 -6.8962 -6.8961 -4.2262 -4.2260 -2.5275 -2.5264 0.0347 0.0387 0.4312 0.4343 0.6492 0.6571 1.0776 1.0878 1.5992 1.6085 2.0942 2.1052 2.7662 2.8297 2.8540 2.8919 3.0250 3.0912 3.1904 3.2742 3.3435 3.3842 3.5841 3.6163 3.8908 3.9103 4.1057 4.1419 4.3043 4.3466 4.4885 4.5251 4.6073 4.6295 5.6370 5.6413 6.0190 6.0209 6.1095 6.1127 6.3179 6.3243 6.4601 6.4683 6.5271 6.5358 6.8556 6.8606 6.9414 6.9512 7.4629 7.4692 7.5686 7.5907 7.9232 7.9429 8.6197 8.6354 k = 0.7499-0.2298-0.1513 ( 7985 PWs) bands (ev): -9.5058 -9.5058 -8.3157 -8.3157 -7.4970 -7.4969 -7.1250 -7.1242 -7.0650 -7.0642 -6.8926 -6.8925 -4.2230 -4.2227 -2.5293 -2.5283 0.0321 0.0361 0.4320 0.4354 0.6492 0.6567 1.0776 1.0881 1.5939 1.6034 2.1073 2.1185 2.7665 2.8245 2.8607 2.9005 3.0227 3.0874 3.1885 3.2654 3.3532 3.3972 3.5878 3.6179 3.8538 3.8741 4.1036 4.1418 4.2991 4.3450 4.4824 4.5245 4.5969 4.6200 5.6438 5.6480 6.0188 6.0206 6.1122 6.1149 6.3207 6.3269 6.4593 6.4677 6.5271 6.5369 6.8418 6.8479 6.9520 6.9616 7.4661 7.4729 7.5738 7.5952 7.9157 7.9389 8.6328 8.6483 k = 0.7666-0.2163-0.1424 ( 7976 PWs) bands (ev): -9.5051 -9.5051 -8.3220 -8.3220 -7.4891 -7.4891 -7.1269 -7.1261 -7.0678 -7.0670 -6.8890 -6.8889 -4.2204 -4.2201 -2.5312 -2.5301 0.0302 0.0341 0.4304 0.4341 0.6506 0.6576 1.0748 1.0856 1.5899 1.5995 2.1215 2.1328 2.7661 2.8194 2.8681 2.9107 3.0189 3.0825 3.1867 3.2523 3.3717 3.4133 3.5936 3.6213 3.8168 3.8383 4.1015 4.1416 4.2911 4.3393 4.4713 4.5143 4.5969 4.6183 5.6510 5.6552 6.0184 6.0200 6.1148 6.1170 6.3234 6.3294 6.4586 6.4673 6.5269 6.5380 6.8290 6.8363 6.9630 6.9724 7.4688 7.4761 7.5771 7.5977 7.9086 7.9361 8.6422 8.6591 k = 0.7833-0.2028-0.1335 ( 7974 PWs) bands (ev): -9.5048 -9.5048 -8.3279 -8.3278 -7.4809 -7.4809 -7.1285 -7.1277 -7.0707 -7.0700 -6.8855 -6.8855 -4.2186 -4.2183 -2.5330 -2.5320 0.0290 0.0328 0.4267 0.4307 0.6533 0.6598 1.0692 1.0802 1.5870 1.5968 2.1367 2.1479 2.7650 2.8147 2.8760 2.9216 3.0132 3.0757 3.1873 3.2415 3.3922 3.4298 3.6022 3.6262 3.7811 3.8044 4.0995 4.1410 4.2808 4.3298 4.4573 4.4985 4.6035 4.6219 5.6585 5.6625 6.0177 6.0191 6.1172 6.1188 6.3258 6.3315 6.4580 6.4669 6.5264 6.5389 6.8178 6.8263 6.9741 6.9835 7.4704 7.4783 7.5782 7.5978 7.9027 7.9350 8.6485 8.6680 Writing output data file FePSe3.save init_run : 5.56s CPU 12.47s WALL ( 1 calls) electrons : 1476.74s CPU 1489.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 1476.61s CPU 1489.26s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.93s WALL ( 1 calls) v_h : 0.05s CPU 0.06s WALL ( 1 calls) v_xc : 0.17s CPU 0.64s WALL ( 1 calls) newd : 0.61s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.26s WALL ( 218 calls) cegterg : 1404.17s CPU 1414.16s WALL ( 482 calls) Called by sum_band: Called by *egterg: h_psi : 733.94s CPU 741.98s WALL ( 9188 calls) s_psi : 50.88s CPU 50.90s WALL ( 9188 calls) g_psi : 1.53s CPU 1.51s WALL ( 8488 calls) cdiaghg : 451.83s CPU 450.20s WALL ( 8706 calls) cegterg:over : 108.34s CPU 106.39s WALL ( 8488 calls) cegterg:upda : 39.78s CPU 42.01s WALL ( 8488 calls) cegterg:last : 32.33s CPU 32.86s WALL ( 1572 calls) Called by h_psi: h_psi:vloc : 627.27s CPU 633.05s WALL ( 9188 calls) h_psi:vnl : 105.89s CPU 107.48s WALL ( 9188 calls) add_vuspsi : 40.41s CPU 43.75s WALL ( 9188 calls) General routines calbec : 65.44s CPU 63.61s WALL ( 9188 calls) fft : 0.84s CPU 1.63s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 593.56s CPU 595.77s WALL ( 1372296 calls) interpolate : 0.19s CPU 0.26s WALL ( 4 calls) davcio : 0.02s CPU 1.76s WALL ( 436 calls) Parallel routines fft_scatter : 328.51s CPU 325.06s WALL ( 1372319 calls) PWSCF : 25m49.43s CPU 28m 1.49s WALL This run was terminated on: 9:22:44 21Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=