Program PWSCF v.5.1.1 starts on 28Oct2015 at 7:40:22 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: ./BC2N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 25 13 4 650 247 42 Max 26 14 5 654 262 46 Sum 1201 649 197 31313 12345 2109 bravais-lattice index = 14 lattice parameter (alat) = 6.7879 a.u. unit-cell volume = 313.1813 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.787896 celldm(2)= 1.000000 celldm(3)= 1.001392 celldm(4)= 0.003142 celldm(5)= 0.003142 celldm(6)= 0.006632 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.006632 0.999978 0.000000 ) a(3) = ( 0.003146 0.003125 1.001382 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.006632 -0.003121 ) b(2) = ( 0.000000 1.000022 -0.003121 ) b(3) = ( 0.000000 0.000000 0.998620 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 411 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0080645 0.0080112 -0.0000503), wk = 0.0024331 k( 3) = ( 0.0161290 0.0160224 -0.0001007), wk = 0.0024331 k( 4) = ( 0.0241936 0.0240336 -0.0001510), wk = 0.0024331 k( 5) = ( 0.0322581 0.0320448 -0.0002013), wk = 0.0024331 k( 6) = ( 0.0403226 0.0400560 -0.0002517), wk = 0.0024331 k( 7) = ( 0.0483871 0.0480672 -0.0003020), wk = 0.0024331 k( 8) = ( 0.0564516 0.0560784 -0.0003524), wk = 0.0024331 k( 9) = ( 0.0645161 0.0640897 -0.0004027), wk = 0.0024331 k( 10) = ( 0.0725806 0.0721009 -0.0004530), wk = 0.0024331 k( 11) = ( 0.0806452 0.0801121 -0.0005034), wk = 0.0024331 k( 12) = ( 0.0887097 0.0881233 -0.0005537), wk = 0.0024331 k( 13) = ( 0.0967742 0.0961345 -0.0006040), wk = 0.0024331 k( 14) = ( 0.1048387 0.1041457 -0.0006544), wk = 0.0024331 k( 15) = ( 0.1129032 0.1121569 -0.0007047), wk = 0.0024331 k( 16) = ( 0.1209677 0.1201681 -0.0007551), wk = 0.0024331 k( 17) = ( 0.1290323 0.1281793 -0.0008054), wk = 0.0024331 k( 18) = ( 0.1370968 0.1361905 -0.0008557), wk = 0.0024331 k( 19) = ( 0.1451613 0.1442017 -0.0009061), wk = 0.0024331 k( 20) = ( 0.1532258 0.1522129 -0.0009564), wk = 0.0024331 k( 21) = ( 0.1612903 0.1602241 -0.0010067), wk = 0.0024331 k( 22) = ( 0.1693548 0.1682353 -0.0010571), wk = 0.0024331 k( 23) = ( 0.1774194 0.1762465 -0.0011074), wk = 0.0024331 k( 24) = ( 0.1854839 0.1842578 -0.0011578), wk = 0.0024331 k( 25) = ( 0.1935484 0.1922690 -0.0012081), wk = 0.0024331 k( 26) = ( 0.2016129 0.2002802 -0.0012584), wk = 0.0024331 k( 27) = ( 0.2096774 0.2082914 -0.0013088), wk = 0.0024331 k( 28) = ( 0.2177419 0.2163026 -0.0013591), wk = 0.0024331 k( 29) = ( 0.2258064 0.2243138 -0.0014094), wk = 0.0024331 k( 30) = ( 0.2338710 0.2323250 -0.0014598), wk = 0.0024331 k( 31) = ( 0.2419355 0.2403362 -0.0015101), wk = 0.0024331 k( 32) = ( 0.2500000 0.2483474 -0.0015605), wk = 0.0024331 k( 33) = ( 0.2580645 0.2563586 -0.0016108), wk = 0.0024331 k( 34) = ( 0.2661290 0.2643698 -0.0016611), wk = 0.0024331 k( 35) = ( 0.2741936 0.2723810 -0.0017115), wk = 0.0024331 k( 36) = ( 0.2822581 0.2803922 -0.0017618), wk = 0.0024331 k( 37) = ( 0.2903226 0.2884034 -0.0018121), wk = 0.0024331 k( 38) = ( 0.2983871 0.2964147 -0.0018625), wk = 0.0024331 k( 39) = ( 0.3064516 0.3044259 -0.0019128), wk = 0.0024331 k( 40) = ( 0.3145161 0.3124371 -0.0019632), wk = 0.0024331 k( 41) = ( 0.3225807 0.3204483 -0.0020135), wk = 0.0024331 k( 42) = ( 0.3306452 0.3284595 -0.0020638), wk = 0.0024331 k( 43) = ( 0.3387097 0.3364707 -0.0021142), wk = 0.0024331 k( 44) = ( 0.3467742 0.3444819 -0.0021645), wk = 0.0024331 k( 45) = ( 0.3548387 0.3524931 -0.0022148), wk = 0.0024331 k( 46) = ( 0.3629032 0.3605043 -0.0022652), wk = 0.0024331 k( 47) = ( 0.3709677 0.3685155 -0.0023155), wk = 0.0024331 k( 48) = ( 0.3790323 0.3765267 -0.0023659), wk = 0.0024331 k( 49) = ( 0.3870968 0.3845379 -0.0024162), wk = 0.0024331 k( 50) = ( 0.3951613 0.3925491 -0.0024665), wk = 0.0024331 k( 51) = ( 0.4032258 0.4005603 -0.0025169), wk = 0.0024331 k( 52) = ( 0.4112903 0.4085715 -0.0025672), wk = 0.0024331 k( 53) = ( 0.4193548 0.4165828 -0.0026175), wk = 0.0024331 k( 54) = ( 0.4274193 0.4245940 -0.0026679), wk = 0.0024331 k( 55) = ( 0.4354839 0.4326052 -0.0027182), wk = 0.0024331 k( 56) = ( 0.4435484 0.4406164 -0.0027686), wk = 0.0024331 k( 57) = ( 0.4516129 0.4486276 -0.0028189), wk = 0.0024331 k( 58) = ( 0.4596774 0.4566388 -0.0028692), wk = 0.0024331 k( 59) = ( 0.4677419 0.4646500 -0.0029196), wk = 0.0024331 k( 60) = ( 0.4758064 0.4726612 -0.0029699), wk = 0.0024331 k( 61) = ( 0.4838710 0.4806724 -0.0030202), wk = 0.0024331 k( 62) = ( 0.4919355 0.4886836 -0.0030706), wk = 0.0024331 k( 63) = ( 0.5000000 0.4966948 -0.0031209), wk = 0.0024331 k( 64) = ( 0.5000000 0.4966948 -0.0031209), wk = 0.0024331 k( 65) = ( 0.5000354 0.4967300 0.0081561), wk = 0.0024331 k( 66) = ( 0.5000709 0.4967652 0.0194331), wk = 0.0024331 k( 67) = ( 0.5001063 0.4968004 0.0307101), wk = 0.0024331 k( 68) = ( 0.5001417 0.4968356 0.0419872), wk = 0.0024331 k( 69) = ( 0.5001771 0.4968708 0.0532642), wk = 0.0024331 k( 70) = ( 0.5002126 0.4969060 0.0645412), wk = 0.0024331 k( 71) = ( 0.5002480 0.4969412 0.0758182), wk = 0.0024331 k( 72) = ( 0.5002834 0.4969764 0.0870953), wk = 0.0024331 k( 73) = ( 0.5003188 0.4970116 0.0983723), wk = 0.0024331 k( 74) = ( 0.5003543 0.4970468 0.1096493), wk = 0.0024331 k( 75) = ( 0.5003897 0.4970820 0.1209263), wk = 0.0024331 k( 76) = ( 0.5004251 0.4971172 0.1322033), wk = 0.0024331 k( 77) = ( 0.5004606 0.4971523 0.1434804), wk = 0.0024331 k( 78) = ( 0.5004960 0.4971875 0.1547574), wk = 0.0024331 k( 79) = ( 0.5005314 0.4972227 0.1660344), wk = 0.0024331 k( 80) = ( 0.5005669 0.4972579 0.1773114), wk = 0.0024331 k( 81) = ( 0.5006023 0.4972931 0.1885885), wk = 0.0024331 k( 82) = ( 0.5006377 0.4973283 0.1998655), wk = 0.0024331 k( 83) = ( 0.5006731 0.4973635 0.2111425), wk = 0.0024331 k( 84) = ( 0.5007086 0.4973987 0.2224195), wk = 0.0024331 k( 85) = ( 0.5007440 0.4974339 0.2336965), wk = 0.0024331 k( 86) = ( 0.5007794 0.4974691 0.2449736), wk = 0.0024331 k( 87) = ( 0.5008149 0.4975043 0.2562506), wk = 0.0024331 k( 88) = ( 0.5008503 0.4975395 0.2675276), wk = 0.0024331 k( 89) = ( 0.5008857 0.4975747 0.2788046), wk = 0.0024331 k( 90) = ( 0.5009211 0.4976099 0.2900816), wk = 0.0024331 k( 91) = ( 0.5009566 0.4976451 0.3013587), wk = 0.0024331 k( 92) = ( 0.5009920 0.4976803 0.3126357), wk = 0.0024331 k( 93) = ( 0.5010274 0.4977154 0.3239127), wk = 0.0024331 k( 94) = ( 0.5010628 0.4977506 0.3351897), wk = 0.0024331 k( 95) = ( 0.5010983 0.4977858 0.3464667), wk = 0.0024331 k( 96) = ( 0.5011337 0.4978210 0.3577438), wk = 0.0024331 k( 97) = ( 0.5011691 0.4978562 0.3690208), wk = 0.0024331 k( 98) = ( 0.5012046 0.4978914 0.3802978), wk = 0.0024331 k( 99) = ( 0.5012400 0.4979266 0.3915748), wk = 0.0024331 k( 100) = ( 0.5012754 0.4979618 0.4028519), wk = 0.0024331 k( 101) = ( 0.5013108 0.4979970 0.4141289), wk = 0.0024331 k( 102) = ( 0.5013463 0.4980322 0.4254059), wk = 0.0024331 k( 103) = ( 0.5013817 0.4980674 0.4366829), wk = 0.0024331 k( 104) = ( 0.5014171 0.4981026 0.4479599), wk = 0.0024331 k( 105) = ( 0.5014525 0.4981378 0.4592370), wk = 0.0024331 k( 106) = ( 0.5014880 0.4981730 0.4705140), wk = 0.0024331 k( 107) = ( 0.5015234 0.4982082 0.4817910), wk = 0.0024331 k( 108) = ( 0.5015588 0.4982434 0.4930680), wk = 0.0024331 k( 109) = ( 0.5015588 0.4982434 0.4930680), wk = 0.0024331 k( 110) = ( 0.5000000 0.4966948 0.4961890), wk = 0.0024331 k( 111) = ( 0.5000000 0.4966948 0.4961890), wk = 0.0024331 k( 112) = ( 0.5048374 0.4918252 0.4961890), wk = 0.0024331 k( 113) = ( 0.4951626 -0.4984576 0.4993099), wk = 0.0024331 k( 114) = ( 0.4871761 -0.4904180 0.4993099), wk = 0.0024331 k( 115) = ( 0.4791896 -0.4823783 0.4993099), wk = 0.0024331 k( 116) = ( 0.4712031 -0.4743387 0.4993099), wk = 0.0024331 k( 117) = ( 0.4632166 -0.4662990 0.4993099), wk = 0.0024331 k( 118) = ( 0.4552301 -0.4582594 0.4993099), wk = 0.0024331 k( 119) = ( 0.4472436 -0.4502198 0.4993099), wk = 0.0024331 k( 120) = ( 0.4392572 -0.4421801 0.4993099), wk = 0.0024331 k( 121) = ( 0.4312707 -0.4341405 0.4993099), wk = 0.0024331 k( 122) = ( 0.4232842 -0.4261008 0.4993099), wk = 0.0024331 k( 123) = ( 0.4152977 -0.4180612 0.4993099), wk = 0.0024331 k( 124) = ( 0.4073112 -0.4100216 0.4993099), wk = 0.0024331 k( 125) = ( 0.3993247 -0.4019819 0.4993099), wk = 0.0024331 k( 126) = ( 0.3913382 -0.3939423 0.4993099), wk = 0.0024331 k( 127) = ( 0.3833517 -0.3859027 0.4993099), wk = 0.0024331 k( 128) = ( 0.3753652 -0.3778630 0.4993099), wk = 0.0024331 k( 129) = ( 0.3673787 -0.3698234 0.4993099), wk = 0.0024331 k( 130) = ( 0.3593922 -0.3617837 0.4993099), wk = 0.0024331 k( 131) = ( 0.3514057 -0.3537441 0.4993099), wk = 0.0024331 k( 132) = ( 0.3434192 -0.3457045 0.4993099), wk = 0.0024331 k( 133) = ( 0.3354327 -0.3376648 0.4993099), wk = 0.0024331 k( 134) = ( 0.3274462 -0.3296252 0.4993099), wk = 0.0024331 k( 135) = ( 0.3194597 -0.3215855 0.4993099), wk = 0.0024331 k( 136) = ( 0.3114733 -0.3135459 0.4993099), wk = 0.0024331 k( 137) = ( 0.3034868 -0.3055063 0.4993099), wk = 0.0024331 k( 138) = ( 0.2955003 -0.2974666 0.4993099), wk = 0.0024331 k( 139) = ( 0.2875138 -0.2894270 0.4993099), wk = 0.0024331 k( 140) = ( 0.2795273 -0.2813874 0.4993099), wk = 0.0024331 k( 141) = ( 0.2715408 -0.2733477 0.4993099), wk = 0.0024331 k( 142) = ( 0.2635543 -0.2653081 0.4993099), wk = 0.0024331 k( 143) = ( 0.2555678 -0.2572684 0.4993099), wk = 0.0024331 k( 144) = ( 0.2475813 -0.2492288 0.4993099), wk = 0.0024331 k( 145) = ( 0.2395948 -0.2411892 0.4993099), wk = 0.0024331 k( 146) = ( 0.2316083 -0.2331495 0.4993099), wk = 0.0024331 k( 147) = ( 0.2236218 -0.2251099 0.4993099), wk = 0.0024331 k( 148) = ( 0.2156353 -0.2170702 0.4993099), wk = 0.0024331 k( 149) = ( 0.2076488 -0.2090306 0.4993099), wk = 0.0024331 k( 150) = ( 0.1996623 -0.2009910 0.4993099), wk = 0.0024331 k( 151) = ( 0.1916759 -0.1929513 0.4993099), wk = 0.0024331 k( 152) = ( 0.1836894 -0.1849117 0.4993099), wk = 0.0024331 k( 153) = ( 0.1757029 -0.1768720 0.4993099), wk = 0.0024331 k( 154) = ( 0.1677164 -0.1688324 0.4993099), wk = 0.0024331 k( 155) = ( 0.1597299 -0.1607928 0.4993099), wk = 0.0024331 k( 156) = ( 0.1517434 -0.1527531 0.4993099), wk = 0.0024331 k( 157) = ( 0.1437569 -0.1447135 0.4993099), wk = 0.0024331 k( 158) = ( 0.1357704 -0.1366739 0.4993099), wk = 0.0024331 k( 159) = ( 0.1277839 -0.1286342 0.4993099), wk = 0.0024331 k( 160) = ( 0.1197974 -0.1205946 0.4993099), wk = 0.0024331 k( 161) = ( 0.1118109 -0.1125549 0.4993099), wk = 0.0024331 k( 162) = ( 0.1038244 -0.1045153 0.4993099), wk = 0.0024331 k( 163) = ( 0.0958379 -0.0964757 0.4993099), wk = 0.0024331 k( 164) = ( 0.0878514 -0.0884360 0.4993099), wk = 0.0024331 k( 165) = ( 0.0798649 -0.0803964 0.4993099), wk = 0.0024331 k( 166) = ( 0.0718784 -0.0723567 0.4993099), wk = 0.0024331 k( 167) = ( 0.0638920 -0.0643171 0.4993099), wk = 0.0024331 k( 168) = ( 0.0559055 -0.0562775 0.4993099), wk = 0.0024331 k( 169) = ( 0.0479190 -0.0482378 0.4993099), wk = 0.0024331 k( 170) = ( 0.0399325 -0.0401982 0.4993099), wk = 0.0024331 k( 171) = ( 0.0319460 -0.0321586 0.4993099), wk = 0.0024331 k( 172) = ( 0.0239595 -0.0241189 0.4993099), wk = 0.0024331 k( 173) = ( 0.0159730 -0.0160793 0.4993099), wk = 0.0024331 k( 174) = ( 0.0079865 -0.0080396 0.4993099), wk = 0.0024331 k( 175) = ( 0.0000000 0.0000000 0.4993099), wk = 0.0024331 k( 176) = ( 0.0000000 0.0000000 0.4993099), wk = 0.0024331 k( 177) = ( 0.0080394 0.0079862 0.4993099), wk = 0.0024331 k( 178) = ( 0.0160787 0.0159725 0.4993099), wk = 0.0024331 k( 179) = ( 0.0241181 0.0239587 0.4993099), wk = 0.0024331 k( 180) = ( 0.0321575 0.0319449 0.4993099), wk = 0.0024331 k( 181) = ( 0.0401969 0.0399312 0.4993099), wk = 0.0024331 k( 182) = ( 0.0482362 0.0479174 0.4993099), wk = 0.0024331 k( 183) = ( 0.0562756 0.0559036 0.4993099), wk = 0.0024331 k( 184) = ( 0.0643150 0.0638898 0.4993099), wk = 0.0024331 k( 185) = ( 0.0723544 0.0718761 0.4993099), wk = 0.0024331 k( 186) = ( 0.0803937 0.0798623 0.4993099), wk = 0.0024331 k( 187) = ( 0.0884331 0.0878485 0.4993099), wk = 0.0024331 k( 188) = ( 0.0964725 0.0958348 0.4993099), wk = 0.0024331 k( 189) = ( 0.1045119 0.1038210 0.4993099), wk = 0.0024331 k( 190) = ( 0.1125512 0.1118072 0.4993099), wk = 0.0024331 k( 191) = ( 0.1205906 0.1197935 0.4993099), wk = 0.0024331 k( 192) = ( 0.1286300 0.1277797 0.4993099), wk = 0.0024331 k( 193) = ( 0.1366693 0.1357659 0.4993099), wk = 0.0024331 k( 194) = ( 0.1447087 0.1437521 0.4993099), wk = 0.0024331 k( 195) = ( 0.1527481 0.1517384 0.4993099), wk = 0.0024331 k( 196) = ( 0.1607875 0.1597246 0.4993099), wk = 0.0024331 k( 197) = ( 0.1688269 0.1677108 0.4993099), wk = 0.0024331 k( 198) = ( 0.1768662 0.1756971 0.4993099), wk = 0.0024331 k( 199) = ( 0.1849056 0.1836833 0.4993099), wk = 0.0024331 k( 200) = ( 0.1929450 0.1916695 0.4993099), wk = 0.0024331 k( 201) = ( 0.2009843 0.1996558 0.4993099), wk = 0.0024331 k( 202) = ( 0.2090237 0.2076420 0.4993099), wk = 0.0024331 k( 203) = ( 0.2170631 0.2156282 0.4993099), wk = 0.0024331 k( 204) = ( 0.2251025 0.2236145 0.4993099), wk = 0.0024331 k( 205) = ( 0.2331418 0.2316007 0.4993099), wk = 0.0024331 k( 206) = ( 0.2411812 0.2395869 0.4993099), wk = 0.0024331 k( 207) = ( 0.2492206 0.2475731 0.4993099), wk = 0.0024331 k( 208) = ( 0.2572600 0.2555594 0.4993099), wk = 0.0024331 k( 209) = ( 0.2652993 0.2635456 0.4993099), wk = 0.0024331 k( 210) = ( 0.2733387 0.2715318 0.4993099), wk = 0.0024331 k( 211) = ( 0.2813781 0.2795181 0.4993099), wk = 0.0024331 k( 212) = ( 0.2894175 0.2875043 0.4993099), wk = 0.0024331 k( 213) = ( 0.2974568 0.2954905 0.4993099), wk = 0.0024331 k( 214) = ( 0.3054962 0.3034768 0.4993099), wk = 0.0024331 k( 215) = ( 0.3135356 0.3114630 0.4993099), wk = 0.0024331 k( 216) = ( 0.3215749 0.3194492 0.4993099), wk = 0.0024331 k( 217) = ( 0.3296143 0.3274355 0.4993099), wk = 0.0024331 k( 218) = ( 0.3376537 0.3354217 0.4993099), wk = 0.0024331 k( 219) = ( 0.3456931 0.3434079 0.4993099), wk = 0.0024331 k( 220) = ( 0.3537324 0.3513941 0.4993099), wk = 0.0024331 k( 221) = ( 0.3617718 0.3593804 0.4993099), wk = 0.0024331 k( 222) = ( 0.3698112 0.3673666 0.4993099), wk = 0.0024331 k( 223) = ( 0.3778506 0.3753528 0.4993099), wk = 0.0024331 k( 224) = ( 0.3858899 0.3833391 0.4993099), wk = 0.0024331 k( 225) = ( 0.3939293 0.3913253 0.4993099), wk = 0.0024331 k( 226) = ( 0.4019687 0.3993115 0.4993099), wk = 0.0024331 k( 227) = ( 0.4100081 0.4072978 0.4993099), wk = 0.0024331 k( 228) = ( 0.4180474 0.4152840 0.4993099), wk = 0.0024331 k( 229) = ( 0.4260868 0.4232702 0.4993099), wk = 0.0024331 k( 230) = ( 0.4341262 0.4312564 0.4993099), wk = 0.0024331 k( 231) = ( 0.4421656 0.4392427 0.4993099), wk = 0.0024331 k( 232) = ( 0.4502049 0.4472289 0.4993099), wk = 0.0024331 k( 233) = ( 0.4582443 0.4552151 0.4993099), wk = 0.0024331 k( 234) = ( 0.4662837 0.4632014 0.4993099), wk = 0.0024331 k( 235) = ( 0.4743230 0.4711876 0.4993099), wk = 0.0024331 k( 236) = ( 0.4823624 0.4791738 0.4993099), wk = 0.0024331 k( 237) = ( 0.4904018 0.4871601 0.4993099), wk = 0.0024331 k( 238) = ( 0.4984412 0.4951463 0.4993099), wk = 0.0024331 k( 239) = ( 0.5000000 0.4966948 -0.0031209), wk = 0.0024331 k( 240) = ( 0.5032894 0.4933835 -0.0031209), wk = 0.0024331 k( 241) = ( 0.4967106 -0.5000159 0.0000000), wk = 0.0024331 k( 242) = ( 0.4886991 -0.4919511 0.0000000), wk = 0.0024331 k( 243) = ( 0.4806877 -0.4838863 0.0000000), wk = 0.0024331 k( 244) = ( 0.4726762 -0.4758215 0.0000000), wk = 0.0024331 k( 245) = ( 0.4646647 -0.4677568 0.0000000), wk = 0.0024331 k( 246) = ( 0.4566533 -0.4596920 0.0000000), wk = 0.0024331 k( 247) = ( 0.4486418 -0.4516272 0.0000000), wk = 0.0024331 k( 248) = ( 0.4406304 -0.4435625 0.0000000), wk = 0.0024331 k( 249) = ( 0.4326189 -0.4354977 0.0000000), wk = 0.0024331 k( 250) = ( 0.4246074 -0.4274329 0.0000000), wk = 0.0024331 k( 251) = ( 0.4165960 -0.4193681 0.0000000), wk = 0.0024331 k( 252) = ( 0.4085845 -0.4113034 0.0000000), wk = 0.0024331 k( 253) = ( 0.4005730 -0.4032386 0.0000000), wk = 0.0024331 k( 254) = ( 0.3925616 -0.3951738 0.0000000), wk = 0.0024331 k( 255) = ( 0.3845501 -0.3871091 0.0000000), wk = 0.0024331 k( 256) = ( 0.3765387 -0.3790443 0.0000000), wk = 0.0024331 k( 257) = ( 0.3685272 -0.3709795 0.0000000), wk = 0.0024331 k( 258) = ( 0.3605158 -0.3629147 0.0000000), wk = 0.0024331 k( 259) = ( 0.3525043 -0.3548500 0.0000000), wk = 0.0024331 k( 260) = ( 0.3444928 -0.3467852 0.0000000), wk = 0.0024331 k( 261) = ( 0.3364814 -0.3387204 0.0000000), wk = 0.0024331 k( 262) = ( 0.3284699 -0.3306557 0.0000000), wk = 0.0024331 k( 263) = ( 0.3204584 -0.3225909 0.0000000), wk = 0.0024331 k( 264) = ( 0.3124470 -0.3145261 0.0000000), wk = 0.0024331 k( 265) = ( 0.3044355 -0.3064613 0.0000000), wk = 0.0024331 k( 266) = ( 0.2964241 -0.2983966 0.0000000), wk = 0.0024331 k( 267) = ( 0.2884126 -0.2903318 0.0000000), wk = 0.0024331 k( 268) = ( 0.2804011 -0.2822670 0.0000000), wk = 0.0024331 k( 269) = ( 0.2723897 -0.2742023 0.0000000), wk = 0.0024331 k( 270) = ( 0.2643782 -0.2661375 0.0000000), wk = 0.0024331 k( 271) = ( 0.2563667 -0.2580727 0.0000000), wk = 0.0024331 k( 272) = ( 0.2483553 -0.2500079 0.0000000), wk = 0.0024331 k( 273) = ( 0.2403438 -0.2419432 0.0000000), wk = 0.0024331 k( 274) = ( 0.2323324 -0.2338784 0.0000000), wk = 0.0024331 k( 275) = ( 0.2243209 -0.2258136 0.0000000), wk = 0.0024331 k( 276) = ( 0.2163094 -0.2177488 0.0000000), wk = 0.0024331 k( 277) = ( 0.2082980 -0.2096841 0.0000000), wk = 0.0024331 k( 278) = ( 0.2002865 -0.2016193 0.0000000), wk = 0.0024331 k( 279) = ( 0.1922751 -0.1935545 0.0000000), wk = 0.0024331 k( 280) = ( 0.1842636 -0.1854898 0.0000000), wk = 0.0024331 k( 281) = ( 0.1762521 -0.1774250 0.0000000), wk = 0.0024331 k( 282) = ( 0.1682407 -0.1693602 0.0000000), wk = 0.0024331 k( 283) = ( 0.1602292 -0.1612954 0.0000000), wk = 0.0024331 k( 284) = ( 0.1522178 -0.1532307 0.0000000), wk = 0.0024331 k( 285) = ( 0.1442063 -0.1451659 0.0000000), wk = 0.0024331 k( 286) = ( 0.1361948 -0.1371011 0.0000000), wk = 0.0024331 k( 287) = ( 0.1281834 -0.1290364 0.0000000), wk = 0.0024331 k( 288) = ( 0.1201719 -0.1209716 0.0000000), wk = 0.0024331 k( 289) = ( 0.1121604 -0.1129068 0.0000000), wk = 0.0024331 k( 290) = ( 0.1041490 -0.1048420 0.0000000), wk = 0.0024331 k( 291) = ( 0.0961375 -0.0967773 0.0000000), wk = 0.0024331 k( 292) = ( 0.0881261 -0.0887125 0.0000000), wk = 0.0024331 k( 293) = ( 0.0801146 -0.0806477 0.0000000), wk = 0.0024331 k( 294) = ( 0.0721032 -0.0725829 0.0000000), wk = 0.0024331 k( 295) = ( 0.0640917 -0.0645182 0.0000000), wk = 0.0024331 k( 296) = ( 0.0560802 -0.0564534 0.0000000), wk = 0.0024331 k( 297) = ( 0.0480688 -0.0483886 0.0000000), wk = 0.0024331 k( 298) = ( 0.0400573 -0.0403239 0.0000000), wk = 0.0024331 k( 299) = ( 0.0320458 -0.0322591 0.0000000), wk = 0.0024331 k( 300) = ( 0.0240344 -0.0241943 0.0000000), wk = 0.0024331 k( 301) = ( 0.0160229 -0.0161295 0.0000000), wk = 0.0024331 k( 302) = ( 0.0080115 -0.0080648 0.0000000), wk = 0.0024331 k( 303) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 304) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 305) = ( 0.0113636 -0.0000754 -0.0000355), wk = 0.0024331 k( 306) = ( 0.0227273 -0.0001507 -0.0000709), wk = 0.0024331 k( 307) = ( 0.0340909 -0.0002261 -0.0001064), wk = 0.0024331 k( 308) = ( 0.0454546 -0.0003015 -0.0001419), wk = 0.0024331 k( 309) = ( 0.0568182 -0.0003768 -0.0001773), wk = 0.0024331 k( 310) = ( 0.0681818 -0.0004522 -0.0002128), wk = 0.0024331 k( 311) = ( 0.0795455 -0.0005276 -0.0002483), wk = 0.0024331 k( 312) = ( 0.0909091 -0.0006029 -0.0002837), wk = 0.0024331 k( 313) = ( 0.1022727 -0.0006783 -0.0003192), wk = 0.0024331 k( 314) = ( 0.1136364 -0.0007537 -0.0003546), wk = 0.0024331 k( 315) = ( 0.1250000 -0.0008290 -0.0003901), wk = 0.0024331 k( 316) = ( 0.1363636 -0.0009044 -0.0004256), wk = 0.0024331 k( 317) = ( 0.1477273 -0.0009798 -0.0004610), wk = 0.0024331 k( 318) = ( 0.1590909 -0.0010551 -0.0004965), wk = 0.0024331 k( 319) = ( 0.1704546 -0.0011305 -0.0005320), wk = 0.0024331 k( 320) = ( 0.1818182 -0.0012059 -0.0005674), wk = 0.0024331 k( 321) = ( 0.1931818 -0.0012812 -0.0006029), wk = 0.0024331 k( 322) = ( 0.2045454 -0.0013566 -0.0006384), wk = 0.0024331 k( 323) = ( 0.2159091 -0.0014320 -0.0006738), wk = 0.0024331 k( 324) = ( 0.2272727 -0.0015074 -0.0007093), wk = 0.0024331 k( 325) = ( 0.2386364 -0.0015827 -0.0007448), wk = 0.0024331 k( 326) = ( 0.2500000 -0.0016581 -0.0007802), wk = 0.0024331 k( 327) = ( 0.2613636 -0.0017335 -0.0008157), wk = 0.0024331 k( 328) = ( 0.2727273 -0.0018088 -0.0008512), wk = 0.0024331 k( 329) = ( 0.2840909 -0.0018842 -0.0008866), wk = 0.0024331 k( 330) = ( 0.2954545 -0.0019596 -0.0009221), wk = 0.0024331 k( 331) = ( 0.3068182 -0.0020349 -0.0009576), wk = 0.0024331 k( 332) = ( 0.3181818 -0.0021103 -0.0009930), wk = 0.0024331 k( 333) = ( 0.3295455 -0.0021857 -0.0010285), wk = 0.0024331 k( 334) = ( 0.3409091 -0.0022610 -0.0010639), wk = 0.0024331 k( 335) = ( 0.3522727 -0.0023364 -0.0010994), wk = 0.0024331 k( 336) = ( 0.3636364 -0.0024118 -0.0011349), wk = 0.0024331 k( 337) = ( 0.3750000 -0.0024871 -0.0011703), wk = 0.0024331 k( 338) = ( 0.3863636 -0.0025625 -0.0012058), wk = 0.0024331 k( 339) = ( 0.3977273 -0.0026379 -0.0012413), wk = 0.0024331 k( 340) = ( 0.4090909 -0.0027132 -0.0012767), wk = 0.0024331 k( 341) = ( 0.4204545 -0.0027886 -0.0013122), wk = 0.0024331 k( 342) = ( 0.4318182 -0.0028640 -0.0013477), wk = 0.0024331 k( 343) = ( 0.4431818 -0.0029393 -0.0013831), wk = 0.0024331 k( 344) = ( 0.4545455 -0.0030147 -0.0014186), wk = 0.0024331 k( 345) = ( 0.4659091 -0.0030901 -0.0014541), wk = 0.0024331 k( 346) = ( 0.4772727 -0.0031654 -0.0014895), wk = 0.0024331 k( 347) = ( 0.4886364 -0.0032408 -0.0015250), wk = 0.0024331 k( 348) = ( 0.5000000 -0.0033162 -0.0015605), wk = 0.0024331 k( 349) = ( 0.5000000 -0.0033162 0.4977494), wk = 0.0024331 k( 350) = ( 0.4919355 -0.0032627 0.4897212), wk = 0.0024331 k( 351) = ( 0.4838710 -0.0032092 0.4816930), wk = 0.0024331 k( 352) = ( 0.4758064 -0.0031557 0.4736648), wk = 0.0024331 k( 353) = ( 0.4677419 -0.0031022 0.4656366), wk = 0.0024331 k( 354) = ( 0.4596774 -0.0030487 0.4576083), wk = 0.0024331 k( 355) = ( 0.4516129 -0.0029953 0.4495801), wk = 0.0024331 k( 356) = ( 0.4435484 -0.0029418 0.4415519), wk = 0.0024331 k( 357) = ( 0.4354839 -0.0028883 0.4335237), wk = 0.0024331 k( 358) = ( 0.4274193 -0.0028348 0.4254955), wk = 0.0024331 k( 359) = ( 0.4193548 -0.0027813 0.4174673), wk = 0.0024331 k( 360) = ( 0.4112903 -0.0027278 0.4094390), wk = 0.0024331 k( 361) = ( 0.4032258 -0.0026743 0.4014108), wk = 0.0024331 k( 362) = ( 0.3951613 -0.0026208 0.3933826), wk = 0.0024331 k( 363) = ( 0.3870968 -0.0025674 0.3853544), wk = 0.0024331 k( 364) = ( 0.3790323 -0.0025139 0.3773262), wk = 0.0024331 k( 365) = ( 0.3709677 -0.0024604 0.3692979), wk = 0.0024331 k( 366) = ( 0.3629032 -0.0024069 0.3612697), wk = 0.0024331 k( 367) = ( 0.3548387 -0.0023534 0.3532415), wk = 0.0024331 k( 368) = ( 0.3467742 -0.0022999 0.3452133), wk = 0.0024331 k( 369) = ( 0.3387097 -0.0022464 0.3371851), wk = 0.0024331 k( 370) = ( 0.3306452 -0.0021930 0.3291569), wk = 0.0024331 k( 371) = ( 0.3225807 -0.0021395 0.3211287), wk = 0.0024331 k( 372) = ( 0.3145161 -0.0020860 0.3131004), wk = 0.0024331 k( 373) = ( 0.3064516 -0.0020325 0.3050722), wk = 0.0024331 k( 374) = ( 0.2983871 -0.0019790 0.2970440), wk = 0.0024331 k( 375) = ( 0.2903226 -0.0019255 0.2890158), wk = 0.0024331 k( 376) = ( 0.2822581 -0.0018720 0.2809876), wk = 0.0024331 k( 377) = ( 0.2741936 -0.0018185 0.2729594), wk = 0.0024331 k( 378) = ( 0.2661290 -0.0017651 0.2649311), wk = 0.0024331 k( 379) = ( 0.2580645 -0.0017116 0.2569029), wk = 0.0024331 k( 380) = ( 0.2500000 -0.0016581 0.2488747), wk = 0.0024331 k( 381) = ( 0.2419355 -0.0016046 0.2408465), wk = 0.0024331 k( 382) = ( 0.2338710 -0.0015511 0.2328183), wk = 0.0024331 k( 383) = ( 0.2258064 -0.0014976 0.2247901), wk = 0.0024331 k( 384) = ( 0.2177419 -0.0014441 0.2167618), wk = 0.0024331 k( 385) = ( 0.2096774 -0.0013907 0.2087336), wk = 0.0024331 k( 386) = ( 0.2016129 -0.0013372 0.2007054), wk = 0.0024331 k( 387) = ( 0.1935484 -0.0012837 0.1926772), wk = 0.0024331 k( 388) = ( 0.1854839 -0.0012302 0.1846490), wk = 0.0024331 k( 389) = ( 0.1774194 -0.0011767 0.1766208), wk = 0.0024331 k( 390) = ( 0.1693548 -0.0011232 0.1685925), wk = 0.0024331 k( 391) = ( 0.1612903 -0.0010697 0.1605643), wk = 0.0024331 k( 392) = ( 0.1532258 -0.0010162 0.1525361), wk = 0.0024331 k( 393) = ( 0.1451613 -0.0009628 0.1445079), wk = 0.0024331 k( 394) = ( 0.1370968 -0.0009093 0.1364797), wk = 0.0024331 k( 395) = ( 0.1290323 -0.0008558 0.1284515), wk = 0.0024331 k( 396) = ( 0.1209677 -0.0008023 0.1204232), wk = 0.0024331 k( 397) = ( 0.1129032 -0.0007488 0.1123950), wk = 0.0024331 k( 398) = ( 0.1048387 -0.0006953 0.1043668), wk = 0.0024331 k( 399) = ( 0.0967742 -0.0006418 0.0963386), wk = 0.0024331 k( 400) = ( 0.0887097 -0.0005884 0.0883104), wk = 0.0024331 k( 401) = ( 0.0806452 -0.0005349 0.0802822), wk = 0.0024331 k( 402) = ( 0.0725806 -0.0004814 0.0722540), wk = 0.0024331 k( 403) = ( 0.0645161 -0.0004279 0.0642257), wk = 0.0024331 k( 404) = ( 0.0564516 -0.0003744 0.0561975), wk = 0.0024331 k( 405) = ( 0.0483871 -0.0003209 0.0481693), wk = 0.0024331 k( 406) = ( 0.0403226 -0.0002674 0.0401411), wk = 0.0024331 k( 407) = ( 0.0322581 -0.0002139 0.0321129), wk = 0.0024331 k( 408) = ( 0.0241936 -0.0001605 0.0240847), wk = 0.0024331 k( 409) = ( 0.0161290 -0.0001070 0.0160564), wk = 0.0024331 k( 410) = ( 0.0080645 -0.0000535 0.0080282), wk = 0.0024331 k( 411) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 2) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0024331 k( 3) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0024331 k( 4) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0024331 k( 5) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0024331 k( 6) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0024331 k( 7) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0024331 k( 8) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0024331 k( 9) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0024331 k( 10) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0024331 k( 11) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0024331 k( 12) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0024331 k( 13) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0024331 k( 14) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0024331 k( 15) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0024331 k( 16) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0024331 k( 17) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0024331 k( 18) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0024331 k( 19) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0024331 k( 20) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0024331 k( 21) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0024331 k( 22) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0024331 k( 23) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0024331 k( 24) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0024331 k( 25) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0024331 k( 26) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0024331 k( 27) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0024331 k( 28) = ( 0.2177419 0.2177419 0.0000000), wk = 0.0024331 k( 29) = ( 0.2258064 0.2258065 0.0000000), wk = 0.0024331 k( 30) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0024331 k( 31) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0024331 k( 32) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0024331 k( 33) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0024331 k( 34) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0024331 k( 35) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0024331 k( 36) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0024331 k( 37) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0024331 k( 38) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0024331 k( 39) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0024331 k( 40) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0024331 k( 41) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0024331 k( 42) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0024331 k( 43) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0024331 k( 44) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0024331 k( 45) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0024331 k( 46) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0024331 k( 47) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0024331 k( 48) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0024331 k( 49) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0024331 k( 50) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0024331 k( 51) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0024331 k( 52) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0024331 k( 53) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0024331 k( 54) = ( 0.4274193 0.4274194 0.0000000), wk = 0.0024331 k( 55) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0024331 k( 56) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0024331 k( 57) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0024331 k( 58) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0024331 k( 59) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0024331 k( 60) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0024331 k( 61) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0024331 k( 62) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0024331 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024331 k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024331 k( 65) = ( 0.5000354 0.5000354 0.0112928), wk = 0.0024331 k( 66) = ( 0.5000709 0.5000709 0.0225857), wk = 0.0024331 k( 67) = ( 0.5001063 0.5001063 0.0338785), wk = 0.0024331 k( 68) = ( 0.5001417 0.5001417 0.0451713), wk = 0.0024331 k( 69) = ( 0.5001771 0.5001771 0.0564641), wk = 0.0024331 k( 70) = ( 0.5002126 0.5002126 0.0677570), wk = 0.0024331 k( 71) = ( 0.5002480 0.5002480 0.0790498), wk = 0.0024331 k( 72) = ( 0.5002834 0.5002834 0.0903426), wk = 0.0024331 k( 73) = ( 0.5003188 0.5003188 0.1016355), wk = 0.0024331 k( 74) = ( 0.5003543 0.5003543 0.1129283), wk = 0.0024331 k( 75) = ( 0.5003897 0.5003897 0.1242211), wk = 0.0024331 k( 76) = ( 0.5004251 0.5004251 0.1355140), wk = 0.0024331 k( 77) = ( 0.5004606 0.5004606 0.1468068), wk = 0.0024331 k( 78) = ( 0.5004960 0.5004960 0.1580996), wk = 0.0024331 k( 79) = ( 0.5005314 0.5005314 0.1693924), wk = 0.0024331 k( 80) = ( 0.5005669 0.5005669 0.1806853), wk = 0.0024331 k( 81) = ( 0.5006023 0.5006023 0.1919781), wk = 0.0024331 k( 82) = ( 0.5006377 0.5006377 0.2032709), wk = 0.0024331 k( 83) = ( 0.5006731 0.5006731 0.2145638), wk = 0.0024331 k( 84) = ( 0.5007086 0.5007086 0.2258566), wk = 0.0024331 k( 85) = ( 0.5007440 0.5007440 0.2371494), wk = 0.0024331 k( 86) = ( 0.5007794 0.5007794 0.2484423), wk = 0.0024331 k( 87) = ( 0.5008149 0.5008149 0.2597351), wk = 0.0024331 k( 88) = ( 0.5008503 0.5008503 0.2710279), wk = 0.0024331 k( 89) = ( 0.5008857 0.5008857 0.2823207), wk = 0.0024331 k( 90) = ( 0.5009211 0.5009211 0.2936136), wk = 0.0024331 k( 91) = ( 0.5009566 0.5009566 0.3049064), wk = 0.0024331 k( 92) = ( 0.5009920 0.5009920 0.3161992), wk = 0.0024331 k( 93) = ( 0.5010274 0.5010274 0.3274921), wk = 0.0024331 k( 94) = ( 0.5010628 0.5010628 0.3387849), wk = 0.0024331 k( 95) = ( 0.5010983 0.5010983 0.3500777), wk = 0.0024331 k( 96) = ( 0.5011337 0.5011337 0.3613705), wk = 0.0024331 k( 97) = ( 0.5011691 0.5011691 0.3726634), wk = 0.0024331 k( 98) = ( 0.5012046 0.5012046 0.3839562), wk = 0.0024331 k( 99) = ( 0.5012400 0.5012400 0.3952490), wk = 0.0024331 k( 100) = ( 0.5012754 0.5012754 0.4065419), wk = 0.0024331 k( 101) = ( 0.5013108 0.5013108 0.4178347), wk = 0.0024331 k( 102) = ( 0.5013463 0.5013463 0.4291275), wk = 0.0024331 k( 103) = ( 0.5013817 0.5013817 0.4404204), wk = 0.0024331 k( 104) = ( 0.5014171 0.5014171 0.4517132), wk = 0.0024331 k( 105) = ( 0.5014525 0.5014525 0.4630060), wk = 0.0024331 k( 106) = ( 0.5014880 0.5014880 0.4742988), wk = 0.0024331 k( 107) = ( 0.5015234 0.5015234 0.4855917), wk = 0.0024331 k( 108) = ( 0.5015588 0.5015588 0.4968845), wk = 0.0024331 k( 109) = ( 0.5015588 0.5015588 0.4968845), wk = 0.0024331 k( 110) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024331 k( 111) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024331 k( 112) = ( 0.5048374 0.4951626 0.5000000), wk = 0.0024331 k( 113) = ( 0.4951626 -0.4951626 0.5000000), wk = 0.0024331 k( 114) = ( 0.4871761 -0.4871761 0.5000000), wk = 0.0024331 k( 115) = ( 0.4791896 -0.4791896 0.5000000), wk = 0.0024331 k( 116) = ( 0.4712031 -0.4712031 0.5000000), wk = 0.0024331 k( 117) = ( 0.4632166 -0.4632166 0.5000000), wk = 0.0024331 k( 118) = ( 0.4552301 -0.4552301 0.5000000), wk = 0.0024331 k( 119) = ( 0.4472436 -0.4472436 0.5000000), wk = 0.0024331 k( 120) = ( 0.4392572 -0.4392572 0.5000000), wk = 0.0024331 k( 121) = ( 0.4312707 -0.4312707 0.5000000), wk = 0.0024331 k( 122) = ( 0.4232842 -0.4232842 0.5000000), wk = 0.0024331 k( 123) = ( 0.4152977 -0.4152977 0.5000000), wk = 0.0024331 k( 124) = ( 0.4073112 -0.4073112 0.5000000), wk = 0.0024331 k( 125) = ( 0.3993247 -0.3993247 0.5000000), wk = 0.0024331 k( 126) = ( 0.3913382 -0.3913382 0.5000000), wk = 0.0024331 k( 127) = ( 0.3833517 -0.3833517 0.5000000), wk = 0.0024331 k( 128) = ( 0.3753652 -0.3753652 0.5000000), wk = 0.0024331 k( 129) = ( 0.3673787 -0.3673787 0.5000000), wk = 0.0024331 k( 130) = ( 0.3593922 -0.3593922 0.5000000), wk = 0.0024331 k( 131) = ( 0.3514057 -0.3514057 0.5000000), wk = 0.0024331 k( 132) = ( 0.3434192 -0.3434192 0.5000000), wk = 0.0024331 k( 133) = ( 0.3354327 -0.3354327 0.5000000), wk = 0.0024331 k( 134) = ( 0.3274462 -0.3274462 0.5000000), wk = 0.0024331 k( 135) = ( 0.3194597 -0.3194597 0.5000000), wk = 0.0024331 k( 136) = ( 0.3114733 -0.3114733 0.5000000), wk = 0.0024331 k( 137) = ( 0.3034868 -0.3034868 0.5000000), wk = 0.0024331 k( 138) = ( 0.2955003 -0.2955003 0.5000000), wk = 0.0024331 k( 139) = ( 0.2875138 -0.2875138 0.5000000), wk = 0.0024331 k( 140) = ( 0.2795273 -0.2795273 0.5000000), wk = 0.0024331 k( 141) = ( 0.2715408 -0.2715408 0.5000000), wk = 0.0024331 k( 142) = ( 0.2635543 -0.2635543 0.5000000), wk = 0.0024331 k( 143) = ( 0.2555678 -0.2555678 0.5000000), wk = 0.0024331 k( 144) = ( 0.2475813 -0.2475813 0.5000000), wk = 0.0024331 k( 145) = ( 0.2395948 -0.2395948 0.5000000), wk = 0.0024331 k( 146) = ( 0.2316083 -0.2316083 0.5000000), wk = 0.0024331 k( 147) = ( 0.2236218 -0.2236218 0.5000000), wk = 0.0024331 k( 148) = ( 0.2156353 -0.2156353 0.5000000), wk = 0.0024331 k( 149) = ( 0.2076488 -0.2076488 0.5000000), wk = 0.0024331 k( 150) = ( 0.1996623 -0.1996623 0.5000000), wk = 0.0024331 k( 151) = ( 0.1916759 -0.1916759 0.5000000), wk = 0.0024331 k( 152) = ( 0.1836894 -0.1836894 0.5000000), wk = 0.0024331 k( 153) = ( 0.1757029 -0.1757029 0.5000000), wk = 0.0024331 k( 154) = ( 0.1677164 -0.1677164 0.5000000), wk = 0.0024331 k( 155) = ( 0.1597299 -0.1597299 0.5000000), wk = 0.0024331 k( 156) = ( 0.1517434 -0.1517434 0.5000000), wk = 0.0024331 k( 157) = ( 0.1437569 -0.1437569 0.5000000), wk = 0.0024331 k( 158) = ( 0.1357704 -0.1357704 0.5000000), wk = 0.0024331 k( 159) = ( 0.1277839 -0.1277839 0.5000000), wk = 0.0024331 k( 160) = ( 0.1197974 -0.1197974 0.5000000), wk = 0.0024331 k( 161) = ( 0.1118109 -0.1118109 0.5000000), wk = 0.0024331 k( 162) = ( 0.1038244 -0.1038244 0.5000000), wk = 0.0024331 k( 163) = ( 0.0958379 -0.0958379 0.5000000), wk = 0.0024331 k( 164) = ( 0.0878514 -0.0878514 0.5000000), wk = 0.0024331 k( 165) = ( 0.0798649 -0.0798649 0.5000000), wk = 0.0024331 k( 166) = ( 0.0718784 -0.0718784 0.5000000), wk = 0.0024331 k( 167) = ( 0.0638920 -0.0638920 0.5000000), wk = 0.0024331 k( 168) = ( 0.0559055 -0.0559055 0.5000000), wk = 0.0024331 k( 169) = ( 0.0479190 -0.0479190 0.5000000), wk = 0.0024331 k( 170) = ( 0.0399325 -0.0399325 0.5000000), wk = 0.0024331 k( 171) = ( 0.0319460 -0.0319460 0.5000000), wk = 0.0024331 k( 172) = ( 0.0239595 -0.0239595 0.5000000), wk = 0.0024331 k( 173) = ( 0.0159730 -0.0159730 0.5000000), wk = 0.0024331 k( 174) = ( 0.0079865 -0.0079865 0.5000000), wk = 0.0024331 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024331 k( 177) = ( 0.0080394 0.0080394 0.5000502), wk = 0.0024331 k( 178) = ( 0.0160787 0.0160787 0.5001005), wk = 0.0024331 k( 179) = ( 0.0241181 0.0241181 0.5001507), wk = 0.0024331 k( 180) = ( 0.0321575 0.0321575 0.5002010), wk = 0.0024331 k( 181) = ( 0.0401969 0.0401969 0.5002513), wk = 0.0024331 k( 182) = ( 0.0482362 0.0482362 0.5003015), wk = 0.0024331 k( 183) = ( 0.0562756 0.0562756 0.5003517), wk = 0.0024331 k( 184) = ( 0.0643150 0.0643150 0.5004020), wk = 0.0024331 k( 185) = ( 0.0723544 0.0723544 0.5004522), wk = 0.0024331 k( 186) = ( 0.0803937 0.0803937 0.5005025), wk = 0.0024331 k( 187) = ( 0.0884331 0.0884331 0.5005527), wk = 0.0024331 k( 188) = ( 0.0964725 0.0964725 0.5006030), wk = 0.0024331 k( 189) = ( 0.1045119 0.1045119 0.5006532), wk = 0.0024331 k( 190) = ( 0.1125512 0.1125512 0.5007035), wk = 0.0024331 k( 191) = ( 0.1205906 0.1205906 0.5007537), wk = 0.0024331 k( 192) = ( 0.1286300 0.1286300 0.5008040), wk = 0.0024331 k( 193) = ( 0.1366693 0.1366693 0.5008542), wk = 0.0024331 k( 194) = ( 0.1447087 0.1447087 0.5009045), wk = 0.0024331 k( 195) = ( 0.1527481 0.1527481 0.5009547), wk = 0.0024331 k( 196) = ( 0.1607875 0.1607875 0.5010050), wk = 0.0024331 k( 197) = ( 0.1688269 0.1688269 0.5010552), wk = 0.0024331 k( 198) = ( 0.1768662 0.1768662 0.5011055), wk = 0.0024331 k( 199) = ( 0.1849056 0.1849056 0.5011557), wk = 0.0024331 k( 200) = ( 0.1929450 0.1929450 0.5012060), wk = 0.0024331 k( 201) = ( 0.2009843 0.2009843 0.5012562), wk = 0.0024331 k( 202) = ( 0.2090237 0.2090237 0.5013065), wk = 0.0024331 k( 203) = ( 0.2170631 0.2170631 0.5013567), wk = 0.0024331 k( 204) = ( 0.2251025 0.2251025 0.5014070), wk = 0.0024331 k( 205) = ( 0.2331418 0.2331418 0.5014572), wk = 0.0024331 k( 206) = ( 0.2411812 0.2411812 0.5015075), wk = 0.0024331 k( 207) = ( 0.2492206 0.2492206 0.5015577), wk = 0.0024331 k( 208) = ( 0.2572600 0.2572600 0.5016080), wk = 0.0024331 k( 209) = ( 0.2652993 0.2652993 0.5016582), wk = 0.0024331 k( 210) = ( 0.2733387 0.2733387 0.5017085), wk = 0.0024331 k( 211) = ( 0.2813781 0.2813781 0.5017587), wk = 0.0024331 k( 212) = ( 0.2894175 0.2894175 0.5018090), wk = 0.0024331 k( 213) = ( 0.2974568 0.2974568 0.5018592), wk = 0.0024331 k( 214) = ( 0.3054962 0.3054962 0.5019095), wk = 0.0024331 k( 215) = ( 0.3135356 0.3135356 0.5019597), wk = 0.0024331 k( 216) = ( 0.3215749 0.3215749 0.5020100), wk = 0.0024331 k( 217) = ( 0.3296143 0.3296143 0.5020602), wk = 0.0024331 k( 218) = ( 0.3376537 0.3376537 0.5021105), wk = 0.0024331 k( 219) = ( 0.3456931 0.3456931 0.5021607), wk = 0.0024331 k( 220) = ( 0.3537324 0.3537324 0.5022110), wk = 0.0024331 k( 221) = ( 0.3617718 0.3617718 0.5022612), wk = 0.0024331 k( 222) = ( 0.3698112 0.3698112 0.5023115), wk = 0.0024331 k( 223) = ( 0.3778506 0.3778506 0.5023617), wk = 0.0024331 k( 224) = ( 0.3858899 0.3858899 0.5024120), wk = 0.0024331 k( 225) = ( 0.3939293 0.3939293 0.5024622), wk = 0.0024331 k( 226) = ( 0.4019687 0.4019687 0.5025125), wk = 0.0024331 k( 227) = ( 0.4100081 0.4100081 0.5025627), wk = 0.0024331 k( 228) = ( 0.4180474 0.4180474 0.5026130), wk = 0.0024331 k( 229) = ( 0.4260868 0.4260868 0.5026632), wk = 0.0024331 k( 230) = ( 0.4341262 0.4341262 0.5027135), wk = 0.0024331 k( 231) = ( 0.4421656 0.4421656 0.5027637), wk = 0.0024331 k( 232) = ( 0.4502049 0.4502049 0.5028140), wk = 0.0024331 k( 233) = ( 0.4582443 0.4582443 0.5028642), wk = 0.0024331 k( 234) = ( 0.4662837 0.4662837 0.5029145), wk = 0.0024331 k( 235) = ( 0.4743230 0.4743230 0.5029647), wk = 0.0024331 k( 236) = ( 0.4823624 0.4823624 0.5030150), wk = 0.0024331 k( 237) = ( 0.4904018 0.4904018 0.5030652), wk = 0.0024331 k( 238) = ( 0.4984412 0.4984412 0.5031155), wk = 0.0024331 k( 239) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024331 k( 240) = ( 0.5032894 0.4967106 0.0000000), wk = 0.0024331 k( 241) = ( 0.4967106 -0.4967106 0.0000000), wk = 0.0024331 k( 242) = ( 0.4886991 -0.4886991 0.0000000), wk = 0.0024331 k( 243) = ( 0.4806877 -0.4806877 0.0000000), wk = 0.0024331 k( 244) = ( 0.4726762 -0.4726762 0.0000000), wk = 0.0024331 k( 245) = ( 0.4646647 -0.4646647 0.0000000), wk = 0.0024331 k( 246) = ( 0.4566533 -0.4566533 0.0000000), wk = 0.0024331 k( 247) = ( 0.4486418 -0.4486418 0.0000000), wk = 0.0024331 k( 248) = ( 0.4406304 -0.4406304 0.0000000), wk = 0.0024331 k( 249) = ( 0.4326189 -0.4326189 -0.0000000), wk = 0.0024331 k( 250) = ( 0.4246074 -0.4246074 0.0000000), wk = 0.0024331 k( 251) = ( 0.4165960 -0.4165960 0.0000000), wk = 0.0024331 k( 252) = ( 0.4085845 -0.4085845 0.0000000), wk = 0.0024331 k( 253) = ( 0.4005730 -0.4005730 0.0000000), wk = 0.0024331 k( 254) = ( 0.3925616 -0.3925616 0.0000000), wk = 0.0024331 k( 255) = ( 0.3845501 -0.3845501 0.0000000), wk = 0.0024331 k( 256) = ( 0.3765387 -0.3765387 0.0000000), wk = 0.0024331 k( 257) = ( 0.3685272 -0.3685272 0.0000000), wk = 0.0024331 k( 258) = ( 0.3605158 -0.3605158 0.0000000), wk = 0.0024331 k( 259) = ( 0.3525043 -0.3525043 0.0000000), wk = 0.0024331 k( 260) = ( 0.3444928 -0.3444928 0.0000000), wk = 0.0024331 k( 261) = ( 0.3364814 -0.3364814 0.0000000), wk = 0.0024331 k( 262) = ( 0.3284699 -0.3284699 0.0000000), wk = 0.0024331 k( 263) = ( 0.3204584 -0.3204584 0.0000000), wk = 0.0024331 k( 264) = ( 0.3124470 -0.3124470 0.0000000), wk = 0.0024331 k( 265) = ( 0.3044355 -0.3044355 0.0000000), wk = 0.0024331 k( 266) = ( 0.2964241 -0.2964241 0.0000000), wk = 0.0024331 k( 267) = ( 0.2884126 -0.2884126 0.0000000), wk = 0.0024331 k( 268) = ( 0.2804011 -0.2804011 0.0000000), wk = 0.0024331 k( 269) = ( 0.2723897 -0.2723897 0.0000000), wk = 0.0024331 k( 270) = ( 0.2643782 -0.2643782 0.0000000), wk = 0.0024331 k( 271) = ( 0.2563667 -0.2563667 0.0000000), wk = 0.0024331 k( 272) = ( 0.2483553 -0.2483553 0.0000000), wk = 0.0024331 k( 273) = ( 0.2403438 -0.2403438 0.0000000), wk = 0.0024331 k( 274) = ( 0.2323324 -0.2323324 0.0000000), wk = 0.0024331 k( 275) = ( 0.2243209 -0.2243209 0.0000000), wk = 0.0024331 k( 276) = ( 0.2163094 -0.2163095 -0.0000000), wk = 0.0024331 k( 277) = ( 0.2082980 -0.2082980 0.0000000), wk = 0.0024331 k( 278) = ( 0.2002865 -0.2002865 0.0000000), wk = 0.0024331 k( 279) = ( 0.1922751 -0.1922751 0.0000000), wk = 0.0024331 k( 280) = ( 0.1842636 -0.1842636 0.0000000), wk = 0.0024331 k( 281) = ( 0.1762521 -0.1762521 0.0000000), wk = 0.0024331 k( 282) = ( 0.1682407 -0.1682407 0.0000000), wk = 0.0024331 k( 283) = ( 0.1602292 -0.1602292 0.0000000), wk = 0.0024331 k( 284) = ( 0.1522178 -0.1522178 0.0000000), wk = 0.0024331 k( 285) = ( 0.1442063 -0.1442063 0.0000000), wk = 0.0024331 k( 286) = ( 0.1361948 -0.1361948 0.0000000), wk = 0.0024331 k( 287) = ( 0.1281834 -0.1281834 -0.0000000), wk = 0.0024331 k( 288) = ( 0.1201719 -0.1201719 0.0000000), wk = 0.0024331 k( 289) = ( 0.1121604 -0.1121604 0.0000000), wk = 0.0024331 k( 290) = ( 0.1041490 -0.1041490 0.0000000), wk = 0.0024331 k( 291) = ( 0.0961375 -0.0961375 0.0000000), wk = 0.0024331 k( 292) = ( 0.0881261 -0.0881261 0.0000000), wk = 0.0024331 k( 293) = ( 0.0801146 -0.0801146 0.0000000), wk = 0.0024331 k( 294) = ( 0.0721032 -0.0721032 0.0000000), wk = 0.0024331 k( 295) = ( 0.0640917 -0.0640917 -0.0000000), wk = 0.0024331 k( 296) = ( 0.0560802 -0.0560802 0.0000000), wk = 0.0024331 k( 297) = ( 0.0480688 -0.0480688 0.0000000), wk = 0.0024331 k( 298) = ( 0.0400573 -0.0400573 0.0000000), wk = 0.0024331 k( 299) = ( 0.0320458 -0.0320458 0.0000000), wk = 0.0024331 k( 300) = ( 0.0240344 -0.0240344 0.0000000), wk = 0.0024331 k( 301) = ( 0.0160229 -0.0160229 0.0000000), wk = 0.0024331 k( 302) = ( 0.0080115 -0.0080115 0.0000000), wk = 0.0024331 k( 303) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 304) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 k( 305) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0024331 k( 306) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0024331 k( 307) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0024331 k( 308) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0024331 k( 309) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0024331 k( 310) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0024331 k( 311) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0024331 k( 312) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0024331 k( 313) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0024331 k( 314) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0024331 k( 315) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0024331 k( 316) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0024331 k( 317) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0024331 k( 318) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0024331 k( 319) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0024331 k( 320) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0024331 k( 321) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0024331 k( 322) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0024331 k( 323) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0024331 k( 324) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0024331 k( 325) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0024331 k( 326) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0024331 k( 327) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0024331 k( 328) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0024331 k( 329) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0024331 k( 330) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0024331 k( 331) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0024331 k( 332) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0024331 k( 333) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0024331 k( 334) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0024331 k( 335) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0024331 k( 336) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0024331 k( 337) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0024331 k( 338) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0024331 k( 339) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0024331 k( 340) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0024331 k( 341) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0024331 k( 342) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0024331 k( 343) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0024331 k( 344) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0024331 k( 345) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0024331 k( 346) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0024331 k( 347) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0024331 k( 348) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024331 k( 349) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024331 k( 350) = ( 0.4919355 0.0000000 0.4919355), wk = 0.0024331 k( 351) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0024331 k( 352) = ( 0.4758064 0.0000000 0.4758064), wk = 0.0024331 k( 353) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0024331 k( 354) = ( 0.4596774 0.0000000 0.4596774), wk = 0.0024331 k( 355) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0024331 k( 356) = ( 0.4435484 0.0000000 0.4435484), wk = 0.0024331 k( 357) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0024331 k( 358) = ( 0.4274193 0.0000000 0.4274193), wk = 0.0024331 k( 359) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0024331 k( 360) = ( 0.4112903 0.0000000 0.4112903), wk = 0.0024331 k( 361) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0024331 k( 362) = ( 0.3951613 0.0000000 0.3951613), wk = 0.0024331 k( 363) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0024331 k( 364) = ( 0.3790323 0.0000000 0.3790323), wk = 0.0024331 k( 365) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0024331 k( 366) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0024331 k( 367) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0024331 k( 368) = ( 0.3467742 0.0000000 0.3467742), wk = 0.0024331 k( 369) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0024331 k( 370) = ( 0.3306452 0.0000000 0.3306452), wk = 0.0024331 k( 371) = ( 0.3225807 0.0000000 0.3225806), wk = 0.0024331 k( 372) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0024331 k( 373) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0024331 k( 374) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0024331 k( 375) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0024331 k( 376) = ( 0.2822581 0.0000000 0.2822581), wk = 0.0024331 k( 377) = ( 0.2741936 0.0000000 0.2741935), wk = 0.0024331 k( 378) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0024331 k( 379) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0024331 k( 380) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024331 k( 381) = ( 0.2419355 0.0000000 0.2419355), wk = 0.0024331 k( 382) = ( 0.2338710 0.0000000 0.2338710), wk = 0.0024331 k( 383) = ( 0.2258064 0.0000000 0.2258064), wk = 0.0024331 k( 384) = ( 0.2177419 0.0000000 0.2177419), wk = 0.0024331 k( 385) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0024331 k( 386) = ( 0.2016129 0.0000000 0.2016129), wk = 0.0024331 k( 387) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0024331 k( 388) = ( 0.1854839 0.0000000 0.1854839), wk = 0.0024331 k( 389) = ( 0.1774194 0.0000000 0.1774193), wk = 0.0024331 k( 390) = ( 0.1693548 0.0000000 0.1693548), wk = 0.0024331 k( 391) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0024331 k( 392) = ( 0.1532258 0.0000000 0.1532258), wk = 0.0024331 k( 393) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0024331 k( 394) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0024331 k( 395) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0024331 k( 396) = ( 0.1209677 0.0000000 0.1209677), wk = 0.0024331 k( 397) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0024331 k( 398) = ( 0.1048387 0.0000000 0.1048387), wk = 0.0024331 k( 399) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0024331 k( 400) = ( 0.0887097 0.0000000 0.0887097), wk = 0.0024331 k( 401) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0024331 k( 402) = ( 0.0725806 0.0000000 0.0725806), wk = 0.0024331 k( 403) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0024331 k( 404) = ( 0.0564516 0.0000000 0.0564516), wk = 0.0024331 k( 405) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0024331 k( 406) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0024331 k( 407) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0024331 k( 408) = ( 0.0241936 0.0000000 0.0241936), wk = 0.0024331 k( 409) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0024331 k( 410) = ( 0.0080645 0.0000000 0.0080645), wk = 0.0024331 k( 411) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024331 Dense grid: 31313 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12345 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 76, 40) NL pseudopotentials 0.06 Mb ( 38, 112) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 654) G-vector shells 0.00 Mb ( 635) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 76, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./BC2N.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 38.2 secs Computing kpt #: 2 total cpu time spent up to now is 38.9 secs Computing kpt #: 3 total cpu time spent up to now is 39.6 secs Computing kpt #: 4 total cpu time spent up to now is 40.4 secs Computing kpt #: 5 total cpu time spent up to now is 41.1 secs Computing kpt #: 6 total cpu time spent up to now is 41.8 secs Computing kpt #: 7 total cpu time spent up to now is 42.5 secs Computing kpt #: 8 total cpu time spent up to now is 43.2 secs Computing kpt #: 9 total cpu time spent up to now is 43.9 secs Computing kpt #: 10 total cpu time spent up to now is 44.6 secs Computing kpt #: 11 total cpu time spent up to now is 45.4 secs Computing kpt #: 12 total cpu time spent up to now is 46.1 secs Computing kpt #: 13 total cpu time spent up to now is 46.9 secs Computing kpt #: 14 total cpu time spent up to now is 47.6 secs Computing kpt #: 15 total cpu time spent up to now is 48.4 secs Computing kpt #: 16 total cpu time spent up to now is 49.2 secs Computing kpt #: 17 total cpu time spent up to now is 50.0 secs Computing kpt #: 18 total cpu time spent up to now is 50.9 secs Computing kpt #: 19 total cpu time spent up to now is 51.7 secs Computing kpt #: 20 total cpu time spent up to now is 52.5 secs Computing kpt #: 21 total cpu time spent up to now is 53.5 secs Computing kpt #: 22 total cpu time spent up to now is 54.3 secs Computing kpt #: 23 total cpu time spent up to now is 55.2 secs Computing kpt #: 24 total cpu time spent up to now is 56.0 secs Computing kpt #: 25 total cpu time spent up to now is 56.9 secs Computing kpt #: 26 total cpu time spent up to now is 57.8 secs Computing kpt #: 27 total cpu time spent up to now is 58.7 secs Computing kpt #: 28 total cpu time spent up to now is 59.6 secs Computing kpt #: 29 total cpu time spent up to now is 60.5 secs Computing kpt #: 30 total cpu time spent up to now is 61.5 secs Computing kpt #: 31 total cpu time spent up to now is 62.4 secs Computing kpt #: 32 total cpu time spent up to now is 63.4 secs Computing kpt #: 33 total cpu time spent up to now is 64.3 secs Computing kpt #: 34 total cpu time spent up to now is 65.4 secs Computing kpt #: 35 total cpu time spent up to now is 66.4 secs Computing kpt #: 36 total cpu time spent up to now is 67.5 secs Computing kpt #: 37 total cpu time spent up to now is 68.6 secs Computing kpt #: 38 total cpu time spent up to now is 69.7 secs Computing kpt #: 39 total cpu time spent up to now is 70.7 secs Computing kpt #: 40 total cpu time spent up to now is 71.6 secs Computing kpt #: 41 total cpu time spent up to now is 72.6 secs Computing kpt #: 42 total cpu time spent up to now is 73.5 secs Computing kpt #: 43 total cpu time spent up to now is 74.6 secs Computing kpt #: 44 total cpu time spent up to now is 75.5 secs Computing kpt #: 45 total cpu time spent up to now is 76.5 secs Computing kpt #: 46 total cpu time spent up to now is 77.5 secs Computing kpt #: 47 total cpu time spent up to now is 78.5 secs Computing kpt #: 48 total cpu time spent up to now is 79.6 secs Computing kpt #: 49 total cpu time spent up to now is 81.3 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.3 secs Computing kpt #: 51 total cpu time spent up to now is 84.9 secs Computing kpt #: 52 total cpu time spent up to now is 86.5 secs Computing kpt #: 53 total cpu time spent up to now is 87.9 secs Computing kpt #: 54 total cpu time spent up to now is 89.1 secs Computing kpt #: 55 total cpu time spent up to now is 90.2 secs Computing kpt #: 56 total cpu time spent up to now is 91.3 secs Computing kpt #: 57 total cpu time spent up to now is 92.1 secs Computing kpt #: 58 total cpu time spent up to now is 93.1 secs Computing kpt #: 59 total cpu time spent up to now is 94.1 secs Computing kpt #: 60 total cpu time spent up to now is 95.2 secs Computing kpt #: 61 total cpu time spent up to now is 96.2 secs Computing kpt #: 62 total cpu time spent up to now is 97.3 secs Computing kpt #: 63 total cpu time spent up to now is 98.3 secs Computing kpt #: 64 total cpu time spent up to now is 99.3 secs Computing kpt #: 65 total cpu time spent up to now is 100.3 secs Computing kpt #: 66 total cpu time spent up to now is 101.4 secs Computing kpt #: 67 total cpu time spent up to now is 102.4 secs Computing kpt #: 68 total cpu time spent up to now is 103.4 secs Computing kpt #: 69 total cpu time spent up to now is 104.4 secs Computing kpt #: 70 total cpu time spent up to now is 105.5 secs Computing kpt #: 71 total cpu time spent up to now is 106.6 secs Computing kpt #: 72 total cpu time spent up to now is 107.7 secs Computing kpt #: 73 total cpu time spent up to now is 109.0 secs Computing kpt #: 74 total cpu time spent up to now is 110.3 secs Computing kpt #: 75 total cpu time spent up to now is 111.5 secs Computing kpt #: 76 total cpu time spent up to now is 112.8 secs Computing kpt #: 77 total cpu time spent up to now is 114.7 secs Computing kpt #: 78 total cpu time spent up to now is 115.8 secs Computing kpt #: 79 total cpu time spent up to now is 116.9 secs Computing kpt #: 80 total cpu time spent up to now is 117.9 secs Computing kpt #: 81 total cpu time spent up to now is 118.9 secs Computing kpt #: 82 total cpu time spent up to now is 119.9 secs Computing kpt #: 83 total cpu time spent up to now is 120.8 secs Computing kpt #: 84 total cpu time spent up to now is 121.7 secs Computing kpt #: 85 total cpu time spent up to now is 122.5 secs Computing kpt #: 86 total cpu time spent up to now is 123.3 secs Computing kpt #: 87 total cpu time spent up to now is 124.3 secs Computing kpt #: 88 total cpu time spent up to now is 125.1 secs Computing kpt #: 89 total cpu time spent up to now is 126.1 secs Computing kpt #: 90 total cpu time spent up to now is 127.0 secs Computing kpt #: 91 total cpu time spent up to now is 127.9 secs Computing kpt #: 92 total cpu time spent up to now is 128.8 secs Computing kpt #: 93 total cpu time spent up to now is 129.7 secs Computing kpt #: 94 total cpu time spent up to now is 130.6 secs Computing kpt #: 95 total cpu time spent up to now is 131.4 secs Computing kpt #: 96 total cpu time spent up to now is 132.3 secs Computing kpt #: 97 total cpu time spent up to now is 133.2 secs Computing kpt #: 98 total cpu time spent up to now is 134.1 secs Computing kpt #: 99 total cpu time spent up to now is 134.9 secs Computing kpt #: 100 total cpu time spent up to now is 135.9 secs Computing kpt #: 101 total cpu time spent up to now is 136.8 secs Computing kpt #: 102 total cpu time spent up to now is 137.6 secs Computing kpt #: 103 total cpu time spent up to now is 138.4 secs Computing kpt #: 104 total cpu time spent up to now is 139.3 secs Computing kpt #: 105 total cpu time spent up to now is 140.2 secs Computing kpt #: 106 total cpu time spent up to now is 141.0 secs Computing kpt #: 107 total cpu time spent up to now is 141.8 secs Computing kpt #: 108 total cpu time spent up to now is 142.6 secs Computing kpt #: 109 total cpu time spent up to now is 143.3 secs Computing kpt #: 110 total cpu time spent up to now is 144.2 secs Computing kpt #: 111 total cpu time spent up to now is 145.0 secs Computing kpt #: 112 total cpu time spent up to now is 145.8 secs Computing kpt #: 113 total cpu time spent up to now is 146.6 secs Computing kpt #: 114 total cpu time spent up to now is 147.5 secs Computing kpt #: 115 total cpu time spent up to now is 148.4 secs Computing kpt #: 116 total cpu time spent up to now is 149.2 secs Computing kpt #: 117 total cpu time spent up to now is 150.0 secs Computing kpt #: 118 total cpu time spent up to now is 150.9 secs Computing kpt #: 119 total cpu time spent up to now is 151.7 secs Computing kpt #: 120 total cpu time spent up to now is 152.4 secs Computing kpt #: 121 total cpu time spent up to now is 153.2 secs Computing kpt #: 122 total cpu time spent up to now is 154.0 secs Computing kpt #: 123 total cpu time spent up to now is 154.8 secs Computing kpt #: 124 total cpu time spent up to now is 155.6 secs Computing kpt #: 125 total cpu time spent up to now is 156.4 secs Computing kpt #: 126 total cpu time spent up to now is 157.1 secs Computing kpt #: 127 total cpu time spent up to now is 157.9 secs Computing kpt #: 128 total cpu time spent up to now is 158.7 secs Computing kpt #: 129 total cpu time spent up to now is 159.6 secs Computing kpt #: 130 total cpu time spent up to now is 160.4 secs Computing kpt #: 131 total cpu time spent up to now is 161.3 secs Computing kpt #: 132 total cpu time spent up to now is 162.2 secs Computing kpt #: 133 total cpu time spent up to now is 163.3 secs Computing kpt #: 134 total cpu time spent up to now is 164.3 secs Computing kpt #: 135 total cpu time spent up to now is 165.4 secs Computing kpt #: 136 total cpu time spent up to now is 166.4 secs Computing kpt #: 137 total cpu time spent up to now is 167.4 secs Computing kpt #: 138 total cpu time spent up to now is 168.9 secs Computing kpt #: 139 total cpu time spent up to now is 169.9 secs Computing kpt #: 140 total cpu time spent up to now is 170.8 secs Computing kpt #: 141 total cpu time spent up to now is 171.7 secs Computing kpt #: 142 total cpu time spent up to now is 172.6 secs Computing kpt #: 143 total cpu time spent up to now is 173.3 secs Computing kpt #: 144 total cpu time spent up to now is 174.1 secs Computing kpt #: 145 total cpu time spent up to now is 174.9 secs Computing kpt #: 146 total cpu time spent up to now is 175.6 secs Computing kpt #: 147 total cpu time spent up to now is 176.3 secs Computing kpt #: 148 total cpu time spent up to now is 177.0 secs Computing kpt #: 149 total cpu time spent up to now is 177.7 secs Computing kpt #: 150 total cpu time spent up to now is 178.5 secs Computing kpt #: 151 total cpu time spent up to now is 179.2 secs Computing kpt #: 152 total cpu time spent up to now is 179.9 secs Computing kpt #: 153 total cpu time spent up to now is 180.7 secs Computing kpt #: 154 total cpu time spent up to now is 181.4 secs Computing kpt #: 155 total cpu time spent up to now is 182.2 secs Computing kpt #: 156 total cpu time spent up to now is 182.9 secs Computing kpt #: 157 total cpu time spent up to now is 183.7 secs Computing kpt #: 158 total cpu time spent up to now is 184.4 secs Computing kpt #: 159 total cpu time spent up to now is 185.2 secs Computing kpt #: 160 total cpu time spent up to now is 186.1 secs Computing kpt #: 161 total cpu time spent up to now is 186.9 secs Computing kpt #: 162 total cpu time spent up to now is 187.7 secs Computing kpt #: 163 total cpu time spent up to now is 188.5 secs Computing kpt #: 164 total cpu time spent up to now is 189.3 secs Computing kpt #: 165 total cpu time spent up to now is 190.0 secs Computing kpt #: 166 total cpu time spent up to now is 190.9 secs Computing kpt #: 167 total cpu time spent up to now is 191.7 secs Computing kpt #: 168 total cpu time spent up to now is 192.5 secs Computing kpt #: 169 total cpu time spent up to now is 193.3 secs Computing kpt #: 170 total cpu time spent up to now is 194.1 secs Computing kpt #: 171 total cpu time spent up to now is 194.9 secs Computing kpt #: 172 total cpu time spent up to now is 195.7 secs Computing kpt #: 173 total cpu time spent up to now is 196.6 secs Computing kpt #: 174 total cpu time spent up to now is 197.4 secs Computing kpt #: 175 total cpu time spent up to now is 198.2 secs Computing kpt #: 176 total cpu time spent up to now is 199.1 secs Computing kpt #: 177 total cpu time spent up to now is 199.9 secs Computing kpt #: 178 total cpu time spent up to now is 200.8 secs Computing kpt #: 179 total cpu time spent up to now is 201.6 secs Computing kpt #: 180 total cpu time spent up to now is 202.4 secs Computing kpt #: 181 total cpu time spent up to now is 203.3 secs Computing kpt #: 182 total cpu time spent up to now is 204.1 secs Computing kpt #: 183 total cpu time spent up to now is 205.2 secs Computing kpt #: 184 total cpu time spent up to now is 206.1 secs Computing kpt #: 185 total cpu time spent up to now is 206.9 secs Computing kpt #: 186 total cpu time spent up to now is 207.7 secs Computing kpt #: 187 total cpu time spent up to now is 208.5 secs Computing kpt #: 188 total cpu time spent up to now is 209.4 secs Computing kpt #: 189 total cpu time spent up to now is 210.2 secs Computing kpt #: 190 total cpu time spent up to now is 211.1 secs Computing kpt #: 191 total cpu time spent up to now is 211.9 secs Computing kpt #: 192 total cpu time spent up to now is 212.7 secs Computing kpt #: 193 total cpu time spent up to now is 213.5 secs Computing kpt #: 194 total cpu time spent up to now is 214.3 secs Computing kpt #: 195 total cpu time spent up to now is 215.0 secs Computing kpt #: 196 total cpu time spent up to now is 215.8 secs Computing kpt #: 197 total cpu time spent up to now is 216.7 secs Computing kpt #: 198 total cpu time spent up to now is 217.5 secs Computing kpt #: 199 total cpu time spent up to now is 218.6 secs Computing kpt #: 200 total cpu time spent up to now is 219.6 secs Computing kpt #: 201 total cpu time spent up to now is 220.5 secs Computing kpt #: 202 total cpu time spent up to now is 221.2 secs Computing kpt #: 203 total cpu time spent up to now is 221.9 secs Computing kpt #: 204 total cpu time spent up to now is 222.7 secs Computing kpt #: 205 total cpu time spent up to now is 223.4 secs Computing kpt #: 206 total cpu time spent up to now is 224.1 secs Computing kpt #: 207 total cpu time spent up to now is 224.9 secs Computing kpt #: 208 total cpu time spent up to now is 225.7 secs Computing kpt #: 209 total cpu time spent up to now is 226.5 secs Computing kpt #: 210 total cpu time spent up to now is 227.4 secs Computing kpt #: 211 total cpu time spent up to now is 228.2 secs Computing kpt #: 212 total cpu time spent up to now is 229.1 secs Computing kpt #: 213 total cpu time spent up to now is 229.9 secs Computing kpt #: 214 total cpu time spent up to now is 230.9 secs Computing kpt #: 215 total cpu time spent up to now is 231.8 secs Computing kpt #: 216 total cpu time spent up to now is 232.7 secs Computing kpt #: 217 total cpu time spent up to now is 233.7 secs Computing kpt #: 218 total cpu time spent up to now is 234.7 secs Computing kpt #: 219 total cpu time spent up to now is 235.6 secs Computing kpt #: 220 total cpu time spent up to now is 236.7 secs Computing kpt #: 221 total cpu time spent up to now is 237.7 secs Computing kpt #: 222 total cpu time spent up to now is 238.7 secs Computing kpt #: 223 total cpu time spent up to now is 239.7 secs Computing kpt #: 224 total cpu time spent up to now is 240.8 secs Computing kpt #: 225 total cpu time spent up to now is 242.5 secs Computing kpt #: 226 total cpu time spent up to now is 244.2 secs Computing kpt #: 227 total cpu time spent up to now is 245.2 secs Computing kpt #: 228 total cpu time spent up to now is 246.3 secs Computing kpt #: 229 total cpu time spent up to now is 247.3 secs Computing kpt #: 230 total cpu time spent up to now is 248.2 secs Computing kpt #: 231 total cpu time spent up to now is 249.2 secs Computing kpt #: 232 total cpu time spent up to now is 250.0 secs Computing kpt #: 233 total cpu time spent up to now is 250.8 secs Computing kpt #: 234 total cpu time spent up to now is 251.6 secs Computing kpt #: 235 total cpu time spent up to now is 252.5 secs Computing kpt #: 236 total cpu time spent up to now is 253.3 secs Computing kpt #: 237 total cpu time spent up to now is 254.1 secs Computing kpt #: 238 total cpu time spent up to now is 255.0 secs Computing kpt #: 239 total cpu time spent up to now is 256.0 secs Computing kpt #: 240 total cpu time spent up to now is 257.0 secs Computing kpt #: 241 total cpu time spent up to now is 258.0 secs Computing kpt #: 242 total cpu time spent up to now is 259.2 secs Computing kpt #: 243 total cpu time spent up to now is 260.3 secs Computing kpt #: 244 total cpu time spent up to now is 261.4 secs Computing kpt #: 245 total cpu time spent up to now is 262.4 secs Computing kpt #: 246 total cpu time spent up to now is 263.4 secs Computing kpt #: 247 total cpu time spent up to now is 264.3 secs Computing kpt #: 248 total cpu time spent up to now is 265.2 secs Computing kpt #: 249 total cpu time spent up to now is 266.0 secs Computing kpt #: 250 total cpu time spent up to now is 266.8 secs Computing kpt #: 251 total cpu time spent up to now is 267.6 secs Computing kpt #: 252 total cpu time spent up to now is 268.3 secs Computing kpt #: 253 total cpu time spent up to now is 269.1 secs Computing kpt #: 254 total cpu time spent up to now is 269.8 secs Computing kpt #: 255 total cpu time spent up to now is 270.7 secs Computing kpt #: 256 total cpu time spent up to now is 271.5 secs Computing kpt #: 257 total cpu time spent up to now is 272.4 secs Computing kpt #: 258 total cpu time spent up to now is 273.3 secs Computing kpt #: 259 total cpu time spent up to now is 274.3 secs Computing kpt #: 260 total cpu time spent up to now is 275.2 secs Computing kpt #: 261 total cpu time spent up to now is 276.2 secs Computing kpt #: 262 total cpu time spent up to now is 277.5 secs Computing kpt #: 263 total cpu time spent up to now is 278.6 secs Computing kpt #: 264 total cpu time spent up to now is 279.6 secs Computing kpt #: 265 total cpu time spent up to now is 280.6 secs Computing kpt #: 266 total cpu time spent up to now is 281.5 secs Computing kpt #: 267 total cpu time spent up to now is 282.5 secs Computing kpt #: 268 total cpu time spent up to now is 283.4 secs Computing kpt #: 269 total cpu time spent up to now is 284.2 secs Computing kpt #: 270 total cpu time spent up to now is 285.0 secs Computing kpt #: 271 total cpu time spent up to now is 285.8 secs Computing kpt #: 272 total cpu time spent up to now is 286.6 secs Computing kpt #: 273 total cpu time spent up to now is 287.3 secs Computing kpt #: 274 total cpu time spent up to now is 288.2 secs Computing kpt #: 275 total cpu time spent up to now is 289.0 secs Computing kpt #: 276 total cpu time spent up to now is 289.7 secs Computing kpt #: 277 total cpu time spent up to now is 290.4 secs Computing kpt #: 278 total cpu time spent up to now is 291.1 secs Computing kpt #: 279 total cpu time spent up to now is 291.8 secs Computing kpt #: 280 total cpu time spent up to now is 292.6 secs Computing kpt #: 281 total cpu time spent up to now is 293.3 secs Computing kpt #: 282 total cpu time spent up to now is 294.1 secs Computing kpt #: 283 total cpu time spent up to now is 294.9 secs Computing kpt #: 284 total cpu time spent up to now is 295.8 secs Computing kpt #: 285 total cpu time spent up to now is 296.6 secs Computing kpt #: 286 total cpu time spent up to now is 297.4 secs Computing kpt #: 287 total cpu time spent up to now is 298.3 secs Computing kpt #: 288 total cpu time spent up to now is 299.2 secs Computing kpt #: 289 total cpu time spent up to now is 300.2 secs Computing kpt #: 290 total cpu time spent up to now is 301.2 secs Computing kpt #: 291 total cpu time spent up to now is 302.1 secs Computing kpt #: 292 total cpu time spent up to now is 302.9 secs Computing kpt #: 293 total cpu time spent up to now is 303.7 secs Computing kpt #: 294 total cpu time spent up to now is 304.4 secs Computing kpt #: 295 total cpu time spent up to now is 305.1 secs Computing kpt #: 296 total cpu time spent up to now is 305.8 secs Computing kpt #: 297 total cpu time spent up to now is 306.6 secs Computing kpt #: 298 total cpu time spent up to now is 307.4 secs Computing kpt #: 299 total cpu time spent up to now is 308.1 secs Computing kpt #: 300 total cpu time spent up to now is 308.8 secs Computing kpt #: 301 total cpu time spent up to now is 309.5 secs Computing kpt #: 302 total cpu time spent up to now is 310.2 secs Computing kpt #: 303 total cpu time spent up to now is 310.9 secs Computing kpt #: 304 total cpu time spent up to now is 311.6 secs Computing kpt #: 305 total cpu time spent up to now is 312.3 secs Computing kpt #: 306 total cpu time spent up to now is 313.0 secs Computing kpt #: 307 total cpu time spent up to now is 313.7 secs Computing kpt #: 308 total cpu time spent up to now is 314.4 secs Computing kpt #: 309 total cpu time spent up to now is 315.1 secs Computing kpt #: 310 total cpu time spent up to now is 315.8 secs Computing kpt #: 311 total cpu time spent up to now is 316.5 secs Computing kpt #: 312 total cpu time spent up to now is 317.2 secs Computing kpt #: 313 total cpu time spent up to now is 318.0 secs Computing kpt #: 314 total cpu time spent up to now is 318.9 secs Computing kpt #: 315 total cpu time spent up to now is 319.8 secs Computing kpt #: 316 total cpu time spent up to now is 320.6 secs Computing kpt #: 317 total cpu time spent up to now is 321.5 secs Computing kpt #: 318 total cpu time spent up to now is 322.4 secs Computing kpt #: 319 total cpu time spent up to now is 323.3 secs Computing kpt #: 320 total cpu time spent up to now is 324.2 secs Computing kpt #: 321 total cpu time spent up to now is 325.1 secs Computing kpt #: 322 total cpu time spent up to now is 326.1 secs Computing kpt #: 323 total cpu time spent up to now is 327.0 secs Computing kpt #: 324 total cpu time spent up to now is 327.9 secs Computing kpt #: 325 total cpu time spent up to now is 328.8 secs Computing kpt #: 326 total cpu time spent up to now is 329.8 secs Computing kpt #: 327 total cpu time spent up to now is 330.8 secs Computing kpt #: 328 total cpu time spent up to now is 331.8 secs Computing kpt #: 329 total cpu time spent up to now is 332.7 secs Computing kpt #: 330 total cpu time spent up to now is 333.7 secs Computing kpt #: 331 total cpu time spent up to now is 334.6 secs Computing kpt #: 332 total cpu time spent up to now is 335.6 secs Computing kpt #: 333 total cpu time spent up to now is 336.5 secs Computing kpt #: 334 total cpu time spent up to now is 337.4 secs Computing kpt #: 335 total cpu time spent up to now is 338.4 secs Computing kpt #: 336 total cpu time spent up to now is 339.3 secs Computing kpt #: 337 total cpu time spent up to now is 340.3 secs Computing kpt #: 338 total cpu time spent up to now is 341.2 secs Computing kpt #: 339 total cpu time spent up to now is 342.1 secs Computing kpt #: 340 total cpu time spent up to now is 342.9 secs Computing kpt #: 341 total cpu time spent up to now is 343.8 secs Computing kpt #: 342 total cpu time spent up to now is 344.5 secs Computing kpt #: 343 total cpu time spent up to now is 345.3 secs Computing kpt #: 344 total cpu time spent up to now is 346.1 secs Computing kpt #: 345 total cpu time spent up to now is 346.9 secs Computing kpt #: 346 total cpu time spent up to now is 347.6 secs Computing kpt #: 347 total cpu time spent up to now is 348.6 secs Computing kpt #: 348 total cpu time spent up to now is 349.4 secs Computing kpt #: 349 total cpu time spent up to now is 350.2 secs Computing kpt #: 350 total cpu time spent up to now is 351.2 secs Computing kpt #: 351 total cpu time spent up to now is 352.1 secs Computing kpt #: 352 total cpu time spent up to now is 353.0 secs Computing kpt #: 353 total cpu time spent up to now is 354.0 secs Computing kpt #: 354 total cpu time spent up to now is 355.0 secs Computing kpt #: 355 total cpu time spent up to now is 356.0 secs Computing kpt #: 356 total cpu time spent up to now is 356.9 secs Computing kpt #: 357 total cpu time spent up to now is 357.8 secs Computing kpt #: 358 total cpu time spent up to now is 358.8 secs Computing kpt #: 359 total cpu time spent up to now is 359.9 secs Computing kpt #: 360 total cpu time spent up to now is 361.0 secs Computing kpt #: 361 total cpu time spent up to now is 362.0 secs Computing kpt #: 362 total cpu time spent up to now is 362.9 secs Computing kpt #: 363 total cpu time spent up to now is 363.8 secs Computing kpt #: 364 total cpu time spent up to now is 364.7 secs Computing kpt #: 365 total cpu time spent up to now is 365.7 secs Computing kpt #: 366 total cpu time spent up to now is 366.7 secs Computing kpt #: 367 total cpu time spent up to now is 367.7 secs Computing kpt #: 368 total cpu time spent up to now is 368.7 secs Computing kpt #: 369 total cpu time spent up to now is 369.7 secs Computing kpt #: 370 total cpu time spent up to now is 370.7 secs Computing kpt #: 371 total cpu time spent up to now is 371.7 secs Computing kpt #: 372 total cpu time spent up to now is 372.7 secs Computing kpt #: 373 total cpu time spent up to now is 373.6 secs Computing kpt #: 374 total cpu time spent up to now is 374.6 secs Computing kpt #: 375 total cpu time spent up to now is 375.5 secs Computing kpt #: 376 total cpu time spent up to now is 376.4 secs Computing kpt #: 377 total cpu time spent up to now is 377.2 secs Computing kpt #: 378 total cpu time spent up to now is 378.1 secs Computing kpt #: 379 total cpu time spent up to now is 379.0 secs Computing kpt #: 380 total cpu time spent up to now is 379.8 secs Computing kpt #: 381 total cpu time spent up to now is 380.7 secs Computing kpt #: 382 total cpu time spent up to now is 381.5 secs Computing kpt #: 383 total cpu time spent up to now is 382.3 secs Computing kpt #: 384 total cpu time spent up to now is 383.1 secs Computing kpt #: 385 total cpu time spent up to now is 384.0 secs Computing kpt #: 386 total cpu time spent up to now is 384.9 secs Computing kpt #: 387 total cpu time spent up to now is 385.7 secs Computing kpt #: 388 total cpu time spent up to now is 386.5 secs Computing kpt #: 389 total cpu time spent up to now is 387.4 secs Computing kpt #: 390 total cpu time spent up to now is 388.2 secs Computing kpt #: 391 total cpu time spent up to now is 389.0 secs Computing kpt #: 392 total cpu time spent up to now is 389.8 secs Computing kpt #: 393 total cpu time spent up to now is 390.7 secs Computing kpt #: 394 total cpu time spent up to now is 391.6 secs Computing kpt #: 395 total cpu time spent up to now is 392.4 secs Computing kpt #: 396 total cpu time spent up to now is 393.2 secs Computing kpt #: 397 total cpu time spent up to now is 394.0 secs Computing kpt #: 398 total cpu time spent up to now is 394.7 secs Computing kpt #: 399 total cpu time spent up to now is 395.5 secs Computing kpt #: 400 total cpu time spent up to now is 396.3 secs Computing kpt #: 401 total cpu time spent up to now is 397.0 secs Computing kpt #: 402 total cpu time spent up to now is 397.8 secs Computing kpt #: 403 total cpu time spent up to now is 398.7 secs Computing kpt #: 404 total cpu time spent up to now is 399.3 secs Computing kpt #: 405 total cpu time spent up to now is 400.0 secs Computing kpt #: 406 total cpu time spent up to now is 400.8 secs Computing kpt #: 407 total cpu time spent up to now is 401.4 secs Computing kpt #: 408 total cpu time spent up to now is 402.2 secs Computing kpt #: 409 total cpu time spent up to now is 402.9 secs Computing kpt #: 410 total cpu time spent up to now is 403.7 secs Computing kpt #: 411 total cpu time spent up to now is 404.3 secs ethr = 3.13E-11, avg # of iterations = 37.9 total cpu time spent up to now is 404.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -9.7240 -9.7240 -4.6531 -4.6531 -1.1334 -1.1334 -0.5652 -0.5652 -0.5237 -0.5237 2.2535 2.2535 3.2767 3.2767 4.6481 4.6481 5.5111 5.5111 5.7804 5.7804 6.5540 6.5540 7.2790 7.2790 7.9545 7.9545 12.6004 12.6004 12.6556 12.6556 13.8663 13.8663 15.0349 15.0349 15.3767 15.3767 16.8330 16.8330 17.1137 17.1137 k = 0.0081 0.0080-0.0001 ( 1551 PWs) bands (ev): -9.7229 -9.7229 -4.6563 -4.6563 -1.1349 -1.1349 -0.5605 -0.5605 -0.5229 -0.5229 2.2478 2.2478 3.2848 3.2849 4.6476 4.6478 5.5058 5.5059 5.7800 5.7800 6.5539 6.5540 7.2784 7.2785 7.9537 7.9537 12.5957 12.5958 12.6550 12.6550 13.8586 13.8587 15.0367 15.0368 15.3832 15.3832 16.8353 16.8354 17.1173 17.1174 k = 0.0161 0.0160-0.0001 ( 1551 PWs) bands (ev): -9.7197 -9.7197 -4.6660 -4.6660 -1.1394 -1.1393 -0.5466 -0.5464 -0.5204 -0.5203 2.2314 2.2315 3.3086 3.3088 4.6461 4.6465 5.4901 5.4903 5.7788 5.7789 6.5537 6.5539 7.2768 7.2770 7.9514 7.9515 12.5816 12.5819 12.6530 12.6530 13.8359 13.8360 15.0424 15.0426 15.4026 15.4027 16.8424 16.8425 17.1283 17.1285 k = 0.0242 0.0240-0.0002 ( 1551 PWs) bands (ev): -9.7144 -9.7144 -4.6820 -4.6819 -1.1468 -1.1467 -0.5234 -0.5232 -0.5162 -0.5161 2.2059 2.2059 3.3464 3.3467 4.6438 4.6443 5.4640 5.4643 5.7768 5.7769 6.5536 6.5538 7.2743 7.2745 7.9477 7.9478 12.5583 12.5587 12.6498 12.6498 13.7985 13.7987 15.0519 15.0521 15.4346 15.4347 16.8542 16.8544 17.1466 17.1469 k = 0.0323 0.0320-0.0002 ( 1540 PWs) bands (ev): -9.7069 -9.7069 -4.7040 -4.7039 -1.1571 -1.1570 -0.5106 -0.5105 -0.4912 -0.4910 2.1733 2.1734 3.3961 3.3964 4.6406 4.6412 5.4281 5.4284 5.7740 5.7742 6.5535 6.5537 7.2709 7.2712 7.9426 7.9428 12.5261 12.5266 12.6454 12.6454 13.7474 13.7477 15.0653 15.0656 15.4787 15.4789 16.8710 16.8713 17.1720 17.1725 k = 0.0403 0.0401-0.0003 ( 1541 PWs) bands (ev): -9.6974 -9.6974 -4.7317 -4.7317 -1.1702 -1.1701 -0.5035 -0.5033 -0.4506 -0.4502 2.1358 2.1359 3.4554 3.4557 4.6365 4.6373 5.3824 5.3829 5.7704 5.7706 6.5534 6.5537 7.2667 7.2671 7.9363 7.9366 12.4849 12.4856 12.6395 12.6395 13.6833 13.6836 15.0825 15.0828 15.5342 15.5344 16.8929 16.8931 17.2045 17.2050 k = 0.0484 0.0481-0.0003 ( 1541 PWs) bands (ev): -9.6857 -9.6857 -4.7649 -4.7648 -1.1861 -1.1860 -0.4950 -0.4948 -0.4017 -0.4013 2.0953 2.0954 3.5221 3.5225 4.6316 4.6326 5.3276 5.3282 5.7658 5.7661 6.5536 6.5539 7.2618 7.2623 7.9290 7.9293 12.4353 12.4361 12.6325 12.6325 13.6073 13.6077 15.1036 15.1040 15.6002 15.6004 16.9201 16.9203 17.2437 17.2444 k = 0.0565 0.0561-0.0004 ( 1541 PWs) bands (ev): -9.6719 -9.6719 -4.8029 -4.8028 -1.2048 -1.2047 -0.4853 -0.4850 -0.3452 -0.3447 2.0534 2.0535 3.5944 3.5949 4.6259 4.6270 5.2644 5.2650 5.7603 5.7607 6.5541 6.5545 7.2563 7.2569 7.9208 7.9212 12.3775 12.3784 12.6241 12.6241 13.5207 13.5211 15.1286 15.1291 15.6756 15.6758 16.9529 16.9532 17.2896 17.2903 k = 0.0645 0.0641-0.0004 ( 1543 PWs) bands (ev): -9.6560 -9.6560 -4.8454 -4.8453 -1.2260 -1.2259 -0.4744 -0.4742 -0.2815 -0.2809 2.0113 2.0114 3.6708 3.6713 4.6194 4.6208 5.1933 5.1941 5.7538 5.7543 6.5552 6.5556 7.2504 7.2510 7.9121 7.9124 12.3120 12.3130 12.6145 12.6145 13.4246 13.4251 15.1577 15.1582 15.7592 15.7594 16.9919 16.9921 17.3417 17.3426 k = 0.0726 0.0721-0.0005 ( 1545 PWs) bands (ev): -9.6380 -9.6380 -4.8920 -4.8919 -1.2498 -1.2497 -0.4627 -0.4624 -0.2111 -0.2105 1.9701 1.9701 3.7497 3.7503 4.6124 4.6139 5.1155 5.1163 5.7463 5.7468 6.5569 6.5574 7.2440 7.2447 7.9029 7.9034 12.2393 12.2404 12.6036 12.6037 13.3202 13.3207 15.1907 15.1912 15.8495 15.8496 17.0376 17.0377 17.3999 17.4008 k = 0.0806 0.0801-0.0005 ( 1545 PWs) bands (ev): -9.6179 -9.6179 -4.9421 -4.9420 -1.2761 -1.2760 -0.4501 -0.4498 -0.1345 -0.1339 1.9303 1.9303 3.8298 3.8305 4.6047 4.6063 5.0320 5.0329 5.7377 5.7383 6.5594 6.5599 7.2373 7.2381 7.8938 7.8943 12.1598 12.1610 12.5915 12.5915 13.2086 13.2092 15.2277 15.2283 15.9450 15.9451 17.0906 17.0906 17.4636 17.4646 k = 0.0887 0.0881-0.0006 ( 1542 PWs) bands (ev): -9.5957 -9.5957 -4.9953 -4.9952 -1.3049 -1.3047 -0.4368 -0.4365 -0.0524 -0.0517 1.8926 1.8926 3.9096 3.9102 4.5965 4.5983 4.9442 4.9452 5.7279 5.7286 6.5630 6.5635 7.2303 7.2311 7.8851 7.8856 12.0739 12.0751 12.5780 12.5780 13.0908 13.0914 15.2687 15.2693 16.0439 16.0440 17.1517 17.1518 17.5326 17.5337 k = 0.0968 0.0961-0.0006 ( 1538 PWs) bands (ev): -9.5714 -9.5714 -5.0512 -5.0511 -1.3359 -1.3358 -0.4231 -0.4228 0.0347 0.0355 1.8574 1.8575 3.9869 3.9877 4.5879 4.5899 4.8542 4.8553 5.7170 5.7178 6.5677 6.5682 7.2229 7.2238 7.8771 7.8777 11.9819 11.9832 12.5633 12.5633 12.9679 12.9685 15.3139 15.3145 16.1445 16.1445 17.2217 17.2219 17.6065 17.6076 k = 0.1048 0.1041-0.0007 ( 1531 PWs) bands (ev): -9.5450 -9.5450 -5.1094 -5.1093 -1.3692 -1.3691 -0.4090 -0.4087 0.1265 0.1273 1.8251 1.8252 4.0587 4.0595 4.5789 4.5812 4.7652 4.7664 5.7049 5.7057 6.5738 6.5743 7.2151 7.2161 7.8704 7.8710 11.8845 11.8859 12.5473 12.5473 12.8407 12.8414 15.3630 15.3636 16.2448 16.2449 17.3014 17.3018 17.6848 17.6859 k = 0.1129 0.1122-0.0007 ( 1528 PWs) bands (ev): -9.5166 -9.5166 -5.1695 -5.1694 -1.4047 -1.4046 -0.3948 -0.3945 0.2222 0.2231 1.7957 1.7959 4.1194 4.1202 4.5698 4.5722 4.6830 4.6843 5.6915 5.6925 6.5814 6.5819 7.2068 7.2078 7.8654 7.8661 11.7820 11.7834 12.5300 12.5301 12.7101 12.7108 15.4162 15.4168 16.3434 16.3436 17.3914 17.3920 17.7670 17.7682 k = 0.1210 0.1202-0.0008 ( 1530 PWs) bands (ev): -9.4861 -9.4861 -5.2311 -5.2310 -1.4423 -1.4422 -0.3807 -0.3804 0.3214 0.3224 1.7695 1.7696 4.1580 4.1587 4.5607 4.5633 4.6188 4.6200 5.6770 5.6780 6.5906 6.5910 7.1977 7.1988 7.8628 7.8635 11.6748 11.6762 12.5113 12.5114 12.5769 12.5776 15.4733 15.4739 16.4390 16.4393 17.4919 17.4927 17.8525 17.8538 k = 0.1290 0.1282-0.0008 ( 1533 PWs) bands (ev): -9.4536 -9.4536 -5.2939 -5.2938 -1.4818 -1.4818 -0.3669 -0.3666 0.4236 0.4247 1.7464 1.7467 4.1588 4.1591 4.5515 4.5545 4.5889 4.5896 5.6612 5.6624 6.6014 6.6019 7.1877 7.1888 7.8631 7.8638 11.5632 11.5646 12.4414 12.4421 12.4917 12.4918 15.5344 15.5350 16.5307 16.5311 17.6029 17.6039 17.9411 17.9423 k = 0.1371 0.1362-0.0009 ( 1535 PWs) bands (ev): -9.4191 -9.4191 -5.3576 -5.3575 -1.5233 -1.5232 -0.3537 -0.3534 0.5284 0.5295 1.7267 1.7270 4.1148 4.1149 4.5428 4.5459 4.5999 4.6003 5.6444 5.6457 6.6141 6.6146 7.1766 7.1777 7.8670 7.8677 11.4477 11.4491 12.3051 12.3058 12.4704 12.4705 15.5995 15.6000 16.6182 16.6187 17.7236 17.7248 18.0319 18.0332 k = 0.1452 0.1442-0.0009 ( 1538 PWs) bands (ev): -9.3825 -9.3825 -5.4220 -5.4219 -1.5665 -1.5665 -0.3412 -0.3409 0.6352 0.6364 1.7101 1.7105 4.0386 4.0391 4.5346 4.5378 4.6396 4.6396 5.6266 5.6279 6.6287 6.6291 7.1640 7.1652 7.8750 7.8756 11.3285 11.3300 12.1681 12.1688 12.4479 12.4479 15.6683 15.6688 16.7015 16.7021 17.8530 17.8544 18.1246 18.1258 k = 0.1532 0.1522-0.0010 ( 1534 PWs) bands (ev): -9.3440 -9.3440 -5.4867 -5.4866 -1.6114 -1.6114 -0.3299 -0.3296 0.7436 0.7449 1.6968 1.6972 3.9460 3.9468 4.5270 4.5303 4.6925 4.6927 5.6079 5.6094 6.6452 6.6456 7.1498 7.1510 7.8877 7.8883 11.2061 11.2075 12.0312 12.0319 12.4241 12.4241 15.7410 15.7415 16.7810 16.7817 17.9896 17.9912 18.2185 18.2197 k = 0.1613 0.1602-0.0010 ( 1534 PWs) bands (ev): -9.3034 -9.3034 -5.5516 -5.5515 -1.6579 -1.6579 -0.3202 -0.3199 0.8530 0.8544 1.6865 1.6870 3.8462 3.8472 4.5202 4.5238 4.7501 4.7504 5.5885 5.5901 6.6637 6.6641 7.1338 7.1349 7.9055 7.9061 11.0807 11.0821 11.8949 11.8956 12.3990 12.3991 15.8174 15.8178 16.8572 16.8580 18.1317 18.1334 18.3131 18.3144 k = 0.1694 0.1682-0.0011 ( 1534 PWs) bands (ev): -9.2609 -9.2609 -5.6165 -5.6164 -1.7059 -1.7058 -0.3122 -0.3119 0.9631 0.9645 1.6792 1.6798 3.7441 3.7453 4.5145 4.5182 4.8081 4.8084 5.5685 5.5702 6.6842 6.6845 7.1157 7.1168 7.9287 7.9292 10.9527 10.9540 11.7599 11.7606 12.3727 12.3727 15.8974 15.8978 16.9308 16.9317 18.2776 18.2795 18.4080 18.4092 k = 0.1774 0.1762-0.0011 ( 1538 PWs) bands (ev): -9.2165 -9.2165 -5.6811 -5.6810 -1.7552 -1.7551 -0.3066 -0.3064 1.0732 1.0748 1.6747 1.6754 3.6425 3.6439 4.5101 4.5140 4.8640 4.8644 5.5482 5.5500 6.7065 6.7069 7.0956 7.0967 7.9573 7.9578 10.8223 10.8236 11.6268 11.6274 12.3450 12.3451 15.9809 15.9812 17.0023 17.0032 18.4255 18.4274 18.5026 18.5037 k = 0.1855 0.1843-0.0012 ( 1538 PWs) bands (ev): -9.1702 -9.1701 -5.7454 -5.7453 -1.8057 -1.8057 -0.3038 -0.3035 1.1829 1.1846 1.6730 1.6737 3.5435 3.5450 4.5072 4.5113 4.9165 4.9171 5.5278 5.5297 6.7309 6.7312 7.0734 7.0744 7.9913 7.9918 10.6898 10.6911 11.4963 11.4969 12.3161 12.3162 16.0678 16.0680 17.0723 17.0732 18.5735 18.5756 18.5967 18.5977 k = 0.1935 0.1923-0.0012 ( 1543 PWs) bands (ev): -9.1219 -9.1219 -5.8091 -5.8090 -1.8574 -1.8574 -0.3042 -0.3039 1.2916 1.2934 1.6737 1.6745 3.4484 3.4500 4.5060 4.5103 4.9650 4.9655 5.5076 5.5096 6.7571 6.7574 7.0490 7.0500 8.0303 8.0307 10.5557 10.5569 11.3690 11.3696 12.2860 12.2860 16.1580 16.1581 17.1412 17.1421 18.6892 18.6905 18.7208 18.7227 k = 0.2016 0.2003-0.0013 ( 1545 PWs) bands (ev): -9.0718 -9.0718 -5.8721 -5.8720 -1.9101 -1.9101 -0.3084 -0.3081 1.3989 1.4007 1.6770 1.6779 3.3586 3.3603 4.5067 4.5112 5.0088 5.0094 5.4880 5.4900 6.7852 6.7854 7.0228 7.0237 8.0738 8.0742 10.4202 10.4213 11.2458 11.2463 12.2546 12.2546 16.2514 16.2514 17.2093 17.2103 18.7811 18.7822 18.8648 18.8668 k = 0.2097 0.2083-0.0013 ( 1544 PWs) bands (ev): -9.0198 -9.0198 -5.9344 -5.9343 -1.9638 -1.9638 -0.3169 -0.3166 1.5040 1.5059 1.6827 1.6836 3.2752 3.2770 4.5096 4.5142 5.0479 5.0485 5.4693 5.4714 6.8150 6.8153 6.9946 6.9955 8.1208 8.1211 10.2837 10.2847 11.1275 11.1280 12.2220 12.2220 16.3478 16.3478 17.2770 17.2780 18.8716 18.8726 19.0050 19.0069 k = 0.2177 0.2163-0.0014 ( 1546 PWs) bands (ev): -8.9661 -8.9661 -5.9957 -5.9956 -2.0184 -2.0184 -0.3302 -0.3299 1.6065 1.6085 1.6906 1.6916 3.1990 3.2009 4.5146 4.5194 5.0819 5.0825 5.4520 5.4542 6.8466 6.8468 6.9647 6.9655 8.1702 8.1705 10.1464 10.1474 11.0151 11.0155 12.1882 12.1882 16.4471 16.4472 17.3445 17.3455 18.9606 18.9616 19.1402 19.1421 k = 0.2258 0.2243-0.0014 ( 1544 PWs) bands (ev): -8.9106 -8.9105 -6.0560 -6.0559 -2.0737 -2.0737 -0.3487 -0.3484 1.7006 1.7018 1.7059 1.7079 3.1309 3.1329 4.5219 4.5269 5.1110 5.1116 5.4366 5.4388 6.8798 6.8801 6.9332 6.9340 8.2206 8.2209 10.0090 10.0098 10.9099 10.9103 12.1532 12.1533 16.5493 16.5495 17.4120 17.4129 19.0482 19.0492 19.2701 19.2719 k = 0.2339 0.2323-0.0015 ( 1548 PWs) bands (ev): -8.8533 -8.8533 -6.1152 -6.1151 -2.1299 -2.1299 -0.3729 -0.3726 1.7132 1.7144 1.8013 1.8035 3.0715 3.0736 4.5314 4.5365 5.1352 5.1359 5.4238 5.4260 6.9002 6.9007 6.9148 6.9149 8.2700 8.2703 9.8716 9.8723 10.8132 10.8135 12.1171 12.1172 16.6541 16.6544 17.4795 17.4805 19.1344 19.1354 19.3945 19.3962 k = 0.2419 0.2403-0.0015 ( 1548 PWs) bands (ev): -8.7944 -8.7943 -6.1732 -6.1731 -2.1868 -2.1868 -0.4030 -0.4027 1.7280 1.7293 1.8924 1.8947 3.0213 3.0235 4.5427 4.5479 5.1547 5.1554 5.4143 5.4165 6.8659 6.8665 6.9509 6.9511 8.3164 8.3168 9.7350 9.7356 10.7267 10.7269 12.0799 12.0800 16.7613 16.7618 17.5472 17.5482 19.2192 19.2202 19.5137 19.5154 k = 0.2500 0.2483-0.0016 ( 1550 PWs) bands (ev): -8.7338 -8.7337 -6.2299 -6.2299 -2.2444 -2.2443 -0.4393 -0.4390 1.7453 1.7466 1.9788 1.9811 2.9806 2.9828 4.5557 4.5609 5.1698 5.1704 5.4089 5.4111 6.8303 6.8309 6.9886 6.9887 8.3572 8.3576 9.5998 9.6002 10.6521 10.6523 12.0417 12.0417 16.8710 16.8715 17.6152 17.6162 19.3027 19.3036 19.6280 19.6296 k = 0.2581 0.2564-0.0016 ( 1546 PWs) bands (ev): -8.6716 -8.6716 -6.2854 -6.2853 -2.3026 -2.3026 -0.4816 -0.4813 1.7652 1.7665 2.0598 2.0623 2.9494 2.9517 4.5697 4.5749 5.1806 5.1812 5.4087 5.4109 6.7936 6.7942 7.0276 7.0278 8.3894 8.3900 9.4667 9.4669 10.5916 10.5917 12.0025 12.0025 16.9829 16.9835 17.6835 17.6845 19.3847 19.3857 19.7378 19.7395 k = 0.2661 0.2644-0.0017 ( 1544 PWs) bands (ev): -8.6079 -8.6078 -6.3394 -6.3393 -2.3616 -2.3615 -0.5299 -0.5296 1.7879 1.7893 2.1353 2.1377 2.9276 2.9299 4.5839 4.5891 5.1873 5.1879 5.4147 5.4167 6.7559 6.7564 7.0678 7.0679 8.4101 8.4108 9.3367 9.3367 10.5470 10.5470 11.9623 11.9623 17.0969 17.0977 17.7521 17.7531 19.4652 19.4662 19.8433 19.8450 k = 0.2742 0.2724-0.0017 ( 1542 PWs) bands (ev): -8.5427 -8.5427 -6.3920 -6.3919 -2.4212 -2.4212 -0.5838 -0.5835 1.8136 1.8150 2.2049 2.2073 2.9148 2.9172 4.5975 4.6025 5.1903 5.1909 5.4280 5.4298 6.7173 6.7178 7.1092 7.1093 8.4161 8.4170 9.2107 9.2110 10.5201 10.5201 11.9212 11.9212 17.2128 17.2137 17.8211 17.8221 19.5437 19.5447 19.9447 19.9465 k = 0.2823 0.2804-0.0018 ( 1544 PWs) bands (ev): -8.4761 -8.4761 -6.4431 -6.4430 -2.4816 -2.4816 -0.6428 -0.6425 1.8424 1.8438 2.2684 2.2708 2.9107 2.9130 4.6096 4.6144 5.1898 5.1904 5.4495 5.4511 6.6778 6.6782 7.1515 7.1516 8.4047 8.4058 9.0903 9.0909 10.5121 10.5121 11.8793 11.8793 17.3304 17.3314 17.8903 17.8914 19.6193 19.6204 20.0419 20.0437 k = 0.2903 0.2884-0.0018 ( 1546 PWs) bands (ev): -8.4082 -8.4082 -6.4926 -6.4925 -2.5428 -2.5428 -0.7063 -0.7060 1.8745 1.8758 2.3258 2.3283 2.9145 2.9168 4.6194 4.6239 5.1860 5.1865 5.4800 5.4814 6.6375 6.6379 7.1946 7.1947 8.3739 8.3753 8.9772 8.9780 10.5233 10.5234 11.8365 11.8365 17.4495 17.4507 17.9598 17.9609 19.6902 19.6914 20.1345 20.1364 k = 0.2984 0.2964-0.0019 ( 1548 PWs) bands (ev): -8.3391 -8.3390 -6.5405 -6.5404 -2.6048 -2.6047 -0.7737 -0.7734 1.9098 1.9111 2.3773 2.3797 2.9258 2.9281 4.6263 4.6304 5.1790 5.1796 5.5199 5.5209 6.5966 6.5969 7.2386 7.2387 8.3232 8.3248 8.8723 8.8734 10.5532 10.5533 11.7932 11.7932 17.5700 17.5713 18.0296 18.0306 19.7524 19.7540 20.2221 20.2242 k = 0.3065 0.3044-0.0019 ( 1548 PWs) bands (ev): -8.2688 -8.2688 -6.5868 -6.5868 -2.6676 -2.6676 -0.8440 -0.8438 1.9485 1.9498 2.4230 2.4253 2.9437 2.9461 4.6299 4.6337 5.1691 5.1696 5.5692 5.5699 6.5549 6.5553 7.2832 7.2833 8.2535 8.2553 8.7760 8.7773 10.6003 10.6004 11.7493 11.7493 17.6917 17.6932 18.0996 18.1006 19.7973 19.7992 20.2528 20.2533 k = 0.3145 0.3124-0.0020 ( 1552 PWs) bands (ev): -8.1975 -8.1975 -6.6315 -6.6314 -2.7314 -2.7313 -0.9166 -0.9164 1.9904 1.9917 2.4631 2.4654 2.9678 2.9701 4.6302 4.6336 5.1565 5.1570 5.6274 5.6277 6.5127 6.5131 7.3283 7.3284 8.1677 8.1696 8.6873 8.6887 10.6626 10.6627 11.7050 11.7050 17.8142 17.8159 18.1697 18.1707 19.8073 19.8097 20.2157 20.2160 k = 0.3226 0.3204-0.0020 ( 1556 PWs) bands (ev): -8.1253 -8.1252 -6.6744 -6.6743 -2.7961 -2.7961 -0.9906 -0.9904 2.0356 2.0368 2.4980 2.5003 2.9974 2.9996 4.6275 4.6305 5.1413 5.1417 5.6936 5.6936 6.4701 6.4704 7.3738 7.3739 8.0696 8.0716 8.6046 8.6060 10.7378 10.7379 11.6603 11.6603 17.9373 17.9392 18.2398 18.2409 19.7663 19.7687 20.2177 20.2184 k = 0.3306 0.3285-0.0021 ( 1554 PWs) bands (ev): -8.0523 -8.0522 -6.7156 -6.7155 -2.8618 -2.8618 -1.0652 -1.0650 2.0838 2.0851 2.5282 2.5304 3.0317 3.0339 4.6222 4.6248 5.1235 5.1240 5.7668 5.7670 6.4270 6.4273 7.4195 7.4196 7.9631 7.9649 8.5263 8.5277 10.8236 10.8237 11.6155 11.6155 18.0606 18.0629 18.3100 18.3110 19.6813 19.6833 20.2556 20.2563 k = 0.3387 0.3365-0.0021 ( 1557 PWs) bands (ev): -7.9786 -7.9786 -6.7550 -6.7550 -2.9286 -2.9285 -1.1396 -1.1394 2.1350 2.1362 2.5541 2.5561 3.0703 3.0725 4.6146 4.6169 5.1035 5.1039 5.8459 5.8464 6.3836 6.3839 7.4653 7.4654 7.8511 7.8530 8.4513 8.4526 10.9177 10.9178 11.5705 11.5705 18.1837 18.1863 18.3799 18.3810 19.5708 19.5723 20.3131 20.3137 k = 0.3468 0.3445-0.0022 ( 1557 PWs) bands (ev): -7.9045 -7.9045 -6.7927 -6.7926 -2.9963 -2.9962 -1.2131 -1.2129 2.1889 2.1901 2.5760 2.5779 3.1125 3.1147 4.6052 4.6073 5.0811 5.0815 5.9300 5.9306 6.3400 6.3403 7.5110 7.5111 7.7363 7.7380 8.3790 8.3802 11.0183 11.0184 11.5256 11.5257 18.3058 18.3089 18.4497 18.4507 19.4479 19.4487 20.3799 20.3804 k = 0.3548 0.3525-0.0022 ( 1553 PWs) bands (ev): -7.8302 -7.8301 -6.8285 -6.8285 -3.0649 -3.0648 -1.2850 -1.2848 2.2454 2.2465 2.5944 2.5962 3.1578 3.1599 4.5946 4.5964 5.0566 5.0570 6.0178 6.0185 6.2963 6.2966 7.5564 7.5566 7.6203 7.6219 8.3092 8.3103 11.1234 11.1236 11.4810 11.4810 18.4253 18.4291 18.5191 18.5201 19.3205 19.3206 20.4507 20.4512 k = 0.3629 0.3605-0.0023 ( 1551 PWs) bands (ev): -7.7558 -7.7557 -6.8626 -6.8625 -3.1343 -3.1342 -1.3548 -1.3546 2.3042 2.3053 2.6098 2.6115 3.2056 3.2077 4.5831 4.5846 5.0301 5.0305 6.1081 6.1090 6.2526 6.2529 7.5042 7.5059 7.6016 7.6017 8.2421 8.2431 11.2317 11.2319 11.4368 11.4368 18.5389 18.5439 18.5879 18.5889 19.1945 19.1959 20.5231 20.5235 k = 0.3710 0.3685-0.0023 ( 1550 PWs) bands (ev): -7.6816 -7.6815 -6.8947 -6.8947 -3.2043 -3.2042 -1.4219 -1.4217 2.3651 2.3662 2.6224 2.6240 3.2554 3.2574 4.5710 4.5723 5.0018 5.0021 6.1997 6.2006 6.2092 6.2095 7.3895 7.3911 7.6460 7.6460 8.1778 8.1787 11.3416 11.3418 11.3932 11.3932 18.6368 18.6437 18.6561 18.6571 19.0823 19.0858 20.5954 20.5957 k = 0.3790 0.3765-0.0024 ( 1551 PWs) bands (ev): -7.6078 -7.6078 -6.9250 -6.9250 -3.2748 -3.2747 -1.4859 -1.4857 2.4279 2.4289 2.6328 2.6343 3.3064 3.3084 4.5586 4.5598 4.9718 4.9722 6.1655 6.1657 6.2921 6.2931 7.2768 7.2783 7.6895 7.6896 8.1166 8.1174 11.3504 11.3504 11.4519 11.4521 18.6878 18.6972 18.7232 18.7243 19.0172 19.0232 20.6664 20.6667 k = 0.3871 0.3845-0.0024 ( 1553 PWs) bands (ev): -7.5349 -7.5349 -6.9534 -6.9534 -3.3454 -3.3453 -1.5464 -1.5462 2.4922 2.4932 2.6411 2.6425 3.3581 3.3601 4.5462 4.5472 4.9406 4.9410 6.1222 6.1224 6.3838 6.3848 7.1669 7.1683 7.7320 7.7320 8.0588 8.0595 11.3086 11.3086 11.5615 11.5617 18.6505 18.6587 18.7892 18.7903 19.0460 19.0510 20.7331 20.7352 k = 0.3952 0.3925-0.0025 ( 1554 PWs) bands (ev): -7.4632 -7.4632 -6.9799 -6.9799 -3.4156 -3.4155 -1.6031 -1.6030 2.5578 2.5588 2.6478 2.6490 3.4097 3.4117 4.5340 4.5349 4.9085 4.9088 6.0791 6.0793 6.4739 6.4749 7.0605 7.0619 7.7731 7.7732 8.0045 8.0051 11.2680 11.2680 11.6692 11.6693 18.5564 18.5625 18.8539 18.8549 19.1351 19.1381 20.7456 20.7484 k = 0.4032 0.4006-0.0025 ( 1554 PWs) bands (ev): -7.3930 -7.3930 -7.0045 -7.0045 -3.4852 -3.4851 -1.6559 -1.6558 2.6244 2.6254 2.6530 2.6542 3.4605 3.4624 4.5221 4.5230 4.8760 4.8763 6.0363 6.0365 6.5615 6.5625 6.9585 6.9598 7.8128 7.8128 7.9539 7.9545 11.2290 11.2290 11.7740 11.7741 18.4467 18.4515 18.9168 18.9179 19.2426 19.2444 20.7481 20.7506 k = 0.4113 0.4086-0.0026 ( 1552 PWs) bands (ev): -7.3249 -7.3248 -7.0272 -7.0271 -3.5534 -3.5533 -1.7045 -1.7044 2.6571 2.6581 2.6917 2.6926 3.5093 3.5112 4.5108 4.5115 4.8438 4.8441 5.9937 5.9940 6.6459 6.6469 6.8615 6.8627 7.8506 7.8506 7.9073 7.9078 11.1917 11.1917 11.8749 11.8751 18.3357 18.3395 18.9778 18.9788 19.3551 19.3561 20.7463 20.7487 k = 0.4194 0.4166-0.0026 ( 1554 PWs) bands (ev): -7.2593 -7.2592 -7.0479 -7.0479 -3.6197 -3.6196 -1.7489 -1.7489 2.6601 2.6611 2.7591 2.7601 3.5552 3.5571 4.5002 4.5008 4.8127 4.8130 5.9513 5.9515 6.7261 6.7270 6.7705 6.7716 7.8644 7.8650 7.8864 7.8866 11.1564 11.1564 11.9710 11.9712 18.2283 18.2315 19.0363 19.0373 19.4680 19.4685 20.7409 20.7431 k = 0.4274 0.4246-0.0027 ( 1552 PWs) bands (ev): -7.1968 -7.1967 -7.0667 -7.0667 -3.6834 -3.6833 -1.7891 -1.7890 2.6624 2.6632 2.8263 2.8273 3.5970 3.5988 4.4903 4.4908 4.7836 4.7840 5.9090 5.9092 6.6860 6.6870 6.8016 6.8024 7.8259 7.8264 7.9198 7.9199 11.1234 11.1234 12.0614 12.0616 18.1271 18.1299 19.0920 19.0929 19.5793 19.5794 20.7327 20.7347 k = 0.4355 0.4326-0.0027 ( 1550 PWs) bands (ev): -7.1380 -7.1380 -7.0835 -7.0835 -3.7437 -3.7436 -1.8249 -1.8248 2.6640 2.6648 2.8927 2.8936 3.6334 3.6351 4.4812 4.4816 4.7577 4.7581 5.8669 5.8671 6.6091 6.6101 6.8713 6.8721 7.7914 7.7918 7.9507 7.9508 11.0929 11.0929 12.1452 12.1453 18.0336 18.0359 19.1443 19.1452 19.6874 19.6875 20.7224 20.7242 k = 0.4435 0.4406-0.0028 ( 1550 PWs) bands (ev): -7.0984 -7.0984 -7.0837 -7.0837 -3.7998 -3.7998 -1.8564 -1.8563 2.6652 2.6658 2.9576 2.9585 3.6631 3.6648 4.4730 4.4734 4.7360 4.7363 5.8253 5.8254 6.5406 6.5414 6.9346 6.9353 7.7609 7.7613 7.9787 7.9788 11.0652 11.0652 12.2214 12.2216 17.9487 17.9507 19.1928 19.1936 19.7909 19.7912 20.7106 20.7122 k = 0.4516 0.4486-0.0028 ( 1550 PWs) bands (ev): -7.1113 -7.1113 -7.0345 -7.0345 -3.8509 -3.8508 -1.8835 -1.8835 2.6660 2.6665 3.0201 3.0209 3.6852 3.6868 4.4658 4.4662 4.7192 4.7195 5.7847 5.7848 6.4808 6.4816 6.9909 6.9915 7.7346 7.7349 8.0036 8.0037 11.0406 11.0406 12.2894 12.2895 17.8736 17.8752 19.2367 19.2374 19.8886 19.8890 20.6982 20.6996 k = 0.4597 0.4566-0.0029 ( 1544 PWs) bands (ev): -7.1222 -7.1222 -6.9913 -6.9912 -3.8960 -3.8959 -1.9065 -1.9064 2.6665 2.6669 3.0790 3.0797 3.6993 3.7007 4.4597 4.4600 4.7077 4.7080 5.7461 5.7462 6.4304 6.4310 7.0397 7.0402 7.7124 7.7126 8.0252 8.0252 11.0193 11.0193 12.3484 12.3485 17.8088 17.8102 19.2755 19.2761 19.9787 19.9792 20.6860 20.6872 k = 0.4677 0.4646-0.0029 ( 1542 PWs) bands (ev): -7.1311 -7.1311 -6.9546 -6.9546 -3.9343 -3.9343 -1.9252 -1.9251 2.6668 2.6672 3.1327 3.1335 3.7058 3.7070 4.4546 4.4548 4.7012 4.7014 5.7108 5.7109 6.3893 6.3898 7.0804 7.0808 7.6942 7.6944 8.0431 8.0432 11.0015 11.0015 12.3976 12.3977 17.7550 17.7561 19.3085 19.3090 20.0590 20.0594 20.6747 20.6757 k = 0.4758 0.4727-0.0030 ( 1542 PWs) bands (ev): -7.1381 -7.1381 -6.9252 -6.9252 -3.9651 -3.9650 -1.9397 -1.9397 2.6670 2.6673 3.1793 3.1799 3.7060 3.7070 4.4506 4.4508 4.6987 4.6989 5.6805 5.6805 6.3577 6.3581 7.1125 7.1128 7.6802 7.6803 8.0573 8.0573 10.9875 10.9875 12.4365 12.4366 17.7127 17.7135 19.3350 19.3354 20.1267 20.1271 20.6651 20.6658 k = 0.4839 0.4807-0.0030 ( 1544 PWs) bands (ev): -7.1431 -7.1431 -6.9038 -6.9038 -3.9876 -3.9876 -1.9500 -1.9500 2.6671 2.6673 3.2161 3.2165 3.7026 3.7034 4.4478 4.4479 4.6987 4.6988 5.6570 5.6571 6.3353 6.3356 7.1357 7.1360 7.6701 7.6702 8.0676 8.0676 10.9773 10.9773 12.4647 12.4647 17.6822 17.6827 19.3544 19.3547 20.1787 20.1791 20.6577 20.6581 k = 0.4919 0.4887-0.0031 ( 1544 PWs) bands (ev): -7.1461 -7.1461 -6.8907 -6.8907 -4.0013 -4.0013 -1.9562 -1.9562 2.6672 2.6673 3.2400 3.2402 3.6987 3.6991 4.4461 4.4461 4.6996 4.6996 5.6421 5.6421 6.3220 6.3221 7.1497 7.1498 7.6641 7.6641 8.0738 8.0738 10.9712 10.9712 12.4817 12.4818 17.6638 17.6640 19.3663 19.3665 20.2117 20.2119 20.6531 20.6534 k = 0.5000 0.4967-0.0031 ( 1544 PWs) bands (ev): -7.1470 -7.1470 -6.8863 -6.8863 -4.0059 -4.0059 -1.9583 -1.9583 2.6673 2.6673 3.2484 3.2484 3.6972 3.6972 4.4455 4.4455 4.7000 4.7000 5.6370 5.6370 6.3176 6.3176 7.1544 7.1544 7.6621 7.6621 8.0758 8.0758 10.9691 10.9691 12.4875 12.4875 17.6577 17.6577 19.3704 19.3704 20.2231 20.2231 20.6517 20.6517 k = 0.5000 0.4967-0.0031 ( 1544 PWs) bands (ev): -7.1470 -7.1470 -6.8863 -6.8863 -4.0059 -4.0059 -1.9583 -1.9583 2.6673 2.6673 3.2484 3.2484 3.6972 3.6972 4.4455 4.4455 4.7000 4.7000 5.6370 5.6370 6.3176 6.3176 7.1544 7.1544 7.6621 7.6621 8.0758 8.0758 10.9691 10.9691 12.4875 12.4875 17.6577 17.6577 19.3704 19.3704 20.2231 20.2231 20.6517 20.6517 k = 0.5000 0.4967 0.0082 ( 1546 PWs) bands (ev): -7.1465 -7.1465 -6.8857 -6.8857 -4.0050 -4.0050 -1.9576 -1.9576 2.6554 2.6554 3.2210 3.2214 3.7077 3.7084 4.4582 4.4582 4.7017 4.7020 5.6501 5.6501 6.3062 6.3063 7.1546 7.1546 7.6766 7.6766 8.0761 8.0761 10.9695 10.9695 12.4881 12.4881 17.6575 17.6575 19.3701 19.3701 20.2217 20.2217 20.6514 20.6516 k = 0.5001 0.4968 0.0194 ( 1550 PWs) bands (ev): -7.1448 -7.1448 -6.8841 -6.8841 -4.0021 -4.0021 -1.9557 -1.9557 2.6210 2.6210 3.1499 3.1505 3.7281 3.7292 4.4951 4.4951 4.7104 4.7109 5.6862 5.6862 6.2751 6.2751 7.1551 7.1551 7.7183 7.7184 8.0769 8.0769 10.9705 10.9705 12.4899 12.4899 17.6568 17.6568 19.3692 19.3692 20.2176 20.2176 20.6508 20.6512 k = 0.5001 0.4968 0.0307 ( 1550 PWs) bands (ev): -7.1421 -7.1421 -6.8814 -6.8814 -3.9973 -3.9972 -1.9525 -1.9524 2.5667 2.5667 3.0528 3.0534 3.7375 3.7389 4.5538 4.5538 4.7341 4.7349 5.7356 5.7356 6.2331 6.2332 7.1559 7.1559 7.7830 7.7831 8.0783 8.0783 10.9721 10.9721 12.4929 12.4929 17.6557 17.6557 19.3678 19.3678 20.2108 20.2108 20.6500 20.6506 k = 0.5001 0.4968 0.0420 ( 1552 PWs) bands (ev): -7.1383 -7.1383 -6.8776 -6.8776 -3.9905 -3.9905 -1.9480 -1.9479 2.4958 2.4958 2.9410 2.9417 3.7229 3.7245 4.6306 4.6306 4.7799 4.7808 5.7804 5.7805 6.1977 6.1978 7.1570 7.1570 7.8656 7.8658 8.0801 8.0801 10.9744 10.9744 12.4971 12.4971 17.6541 17.6541 19.3658 19.3658 20.2014 20.2014 20.6490 20.6497 k = 0.5002 0.4969 0.0533 ( 1552 PWs) bands (ev): -7.1334 -7.1334 -6.8727 -6.8727 -3.9818 -3.9818 -1.9422 -1.9421 2.4119 2.4119 2.8211 2.8217 3.6816 3.6831 4.7220 4.7220 4.8492 4.8500 5.7926 5.7927 6.1966 6.1967 7.1585 7.1585 7.9615 7.9617 8.0825 8.0826 10.9773 10.9773 12.5026 12.5026 17.6520 17.6520 19.3631 19.3631 20.1893 20.1894 20.6478 20.6486 k = 0.5002 0.4969 0.0645 ( 1550 PWs) bands (ev): -7.1274 -7.1274 -6.8667 -6.8667 -3.9712 -3.9712 -1.9352 -1.9352 2.3183 2.3183 2.6963 2.6969 3.6167 3.6182 4.8249 4.8249 4.9385 4.9392 5.7551 5.7553 6.2472 6.2473 7.1603 7.1603 8.0669 8.0673 8.0855 8.0857 10.9809 10.9809 12.5092 12.5093 17.6494 17.6494 19.3598 19.3598 20.1749 20.1750 20.6463 20.6474 k = 0.5002 0.4969 0.0758 ( 1550 PWs) bands (ev): -7.1204 -7.1204 -6.8598 -6.8598 -3.9587 -3.9587 -1.9270 -1.9270 2.2173 2.2173 2.5688 2.5694 3.5341 3.5354 4.9366 4.9366 5.0420 5.0427 5.6816 5.6817 6.3365 6.3366 7.1624 7.1624 8.0890 8.0890 8.1794 8.1796 10.9851 10.9851 12.5171 12.5171 17.6461 17.6461 19.3558 19.3558 20.1580 20.1581 20.6448 20.6459 k = 0.5003 0.4970 0.0871 ( 1548 PWs) bands (ev): -7.1123 -7.1123 -6.8518 -6.8518 -3.9443 -3.9443 -1.9177 -1.9176 2.1112 2.1112 2.4399 2.4404 3.4388 3.4400 5.0551 5.0551 5.1527 5.1534 5.5923 5.5924 6.4467 6.4468 7.1648 7.1648 8.0931 8.0931 8.2964 8.2966 10.9900 10.9900 12.5262 12.5262 17.6422 17.6422 19.3511 19.3511 20.1388 20.1389 20.6430 20.6443 k = 0.5003 0.4970 0.0984 ( 1548 PWs) bands (ev): -7.1033 -7.1033 -6.8428 -6.8428 -3.9281 -3.9280 -1.9071 -1.9070 2.0015 2.0015 2.3103 2.3108 3.3348 3.3360 5.1785 5.1785 5.2548 5.2554 5.5091 5.5092 6.5683 6.5684 7.1675 7.1675 8.0978 8.0978 8.4166 8.4168 10.9954 10.9954 12.5364 12.5364 17.6374 17.6374 19.3456 19.3456 20.1173 20.1174 20.6410 20.6424 k = 0.5004 0.4970 0.1096 ( 1548 PWs) bands (ev): -7.0933 -7.0933 -6.8329 -6.8329 -3.9099 -3.9099 -1.8956 -1.8954 1.8894 1.8894 2.1808 2.1812 3.2252 3.2262 5.2812 5.2816 5.3058 5.3058 5.5012 5.5014 6.6966 6.6967 7.1704 7.1704 8.1031 8.1031 8.5389 8.5391 11.0014 11.0014 12.5478 12.5479 17.6318 17.6318 19.3392 19.3393 20.0939 20.0940 20.6387 20.6402 k = 0.5004 0.4971 0.1209 ( 1546 PWs) bands (ev): -7.0824 -7.0824 -6.8220 -6.8220 -3.8899 -3.8899 -1.8829 -1.8828 1.7758 1.7758 2.0517 2.0521 3.1118 3.1127 5.2016 5.2019 5.4357 5.4357 5.5997 5.5999 6.8290 6.8292 7.1737 7.1737 8.1089 8.1089 8.6623 8.6625 11.0080 11.0080 12.5605 12.5605 17.6252 17.6252 19.3319 19.3319 20.0687 20.0688 20.6360 20.6376 k = 0.5004 0.4971 0.1322 ( 1547 PWs) bands (ev): -7.0705 -7.0705 -6.8103 -6.8103 -3.8681 -3.8680 -1.8693 -1.8692 1.6617 1.6617 1.9235 1.9239 2.9962 2.9971 5.0931 5.0934 5.5674 5.5675 5.7276 5.7278 6.9640 6.9642 7.1771 7.1771 8.1155 8.1155 8.7862 8.7863 11.0151 11.0152 12.5743 12.5743 17.6176 17.6176 19.3235 19.3236 20.0417 20.0418 20.6327 20.6345 k = 0.5005 0.4972 0.1435 ( 1545 PWs) bands (ev): -7.0579 -7.0579 -6.7977 -6.7977 -3.8444 -3.8444 -1.8548 -1.8546 1.5475 1.5475 1.7965 1.7968 2.8796 2.8804 4.9776 4.9778 5.7003 5.7003 5.8632 5.8634 7.1005 7.1008 7.1807 7.1808 8.1227 8.1227 8.9099 8.9101 11.0228 11.0228 12.5892 12.5893 17.6089 17.6089 19.3140 19.3141 20.0131 20.0132 20.6285 20.6304 k = 0.5005 0.4972 0.1548 ( 1550 PWs) bands (ev): -7.0444 -7.0444 -6.7843 -6.7843 -3.8190 -3.8189 -1.8395 -1.8393 1.4337 1.4337 1.6708 1.6711 2.7627 2.7634 4.8596 4.8598 5.8336 5.8336 6.0019 6.0021 7.1846 7.1846 7.2379 7.2382 8.1306 8.1306 9.0330 9.0332 11.0310 11.0310 12.6053 12.6054 17.5988 17.5988 19.3032 19.3033 19.9831 19.9833 20.5849 20.5852 k = 0.5005 0.4972 0.1660 ( 1550 PWs) bands (ev): -7.0301 -7.0301 -6.7702 -6.7702 -3.7918 -3.7917 -1.8234 -1.8232 1.3208 1.3208 1.5467 1.5470 2.6461 2.6469 4.7408 4.7410 5.9668 5.9669 6.1418 6.1420 7.1887 7.1887 7.3756 7.3758 8.1393 8.1393 9.1550 9.1552 11.0397 11.0397 12.6226 12.6226 17.5874 17.5874 19.2910 19.2912 19.9520 19.9521 20.5264 20.5267 k = 0.5006 0.4973 0.1773 ( 1550 PWs) bands (ev): -7.0152 -7.0152 -6.7553 -6.7553 -3.7629 -3.7628 -1.8067 -1.8065 1.2092 1.2092 1.4244 1.4246 2.5305 2.5312 4.6221 4.6223 6.0994 6.0995 6.2821 6.2822 7.1929 7.1929 7.5129 7.5132 8.1488 8.1488 9.2756 9.2758 11.0489 11.0489 12.6410 12.6410 17.5745 17.5745 19.2773 19.2774 19.9198 19.9199 20.4671 20.4673 k = 0.5006 0.4973 0.1886 ( 1549 PWs) bands (ev): -6.9995 -6.9995 -6.7398 -6.7398 -3.7323 -3.7322 -1.7894 -1.7892 1.0991 1.0991 1.3041 1.3042 2.4163 2.4170 4.5040 4.5042 6.2309 6.2309 6.4221 6.4222 7.1973 7.1973 7.6496 7.6499 8.1593 8.1593 9.3945 9.3946 11.0585 11.0585 12.6604 12.6605 17.5600 17.5600 19.2618 19.2620 19.8868 19.8869 20.4074 20.4077 k = 0.5006 0.4973 0.1999 ( 1549 PWs) bands (ev): -6.9833 -6.9833 -6.7238 -6.7238 -3.7000 -3.6999 -1.7718 -1.7715 0.9908 0.9908 1.1858 1.1859 2.3039 2.3045 4.3868 4.3871 6.3607 6.3607 6.5613 6.5613 7.2018 7.2019 7.7853 7.7856 8.1708 8.1708 9.5112 9.5113 11.0686 11.0686 12.6810 12.6811 17.5438 17.5438 19.2445 19.2446 19.8531 19.8533 20.3479 20.3482 k = 0.5007 0.4974 0.2111 ( 1549 PWs) bands (ev): -6.9666 -6.9666 -6.7072 -6.7072 -3.6661 -3.6660 -1.7538 -1.7535 0.8845 0.8845 1.0698 1.0699 2.1935 2.1941 4.2710 4.2712 6.4884 6.4884 6.6993 6.6993 7.2064 7.2065 7.9196 7.9199 8.1834 8.1834 9.6255 9.6256 11.0790 11.0790 12.7026 12.7027 17.5258 17.5258 19.2250 19.2252 19.8189 19.8191 20.2889 20.2892 k = 0.5007 0.4974 0.2224 ( 1550 PWs) bands (ev): -6.9494 -6.9494 -6.6901 -6.6901 -3.6307 -3.6306 -1.7357 -1.7354 0.7805 0.7805 0.9562 0.9563 2.0856 2.0861 4.1568 4.1570 6.6134 6.6135 6.8357 6.8357 7.2112 7.2112 8.0522 8.0525 8.1974 8.1974 9.7370 9.7372 11.0898 11.0898 12.7252 12.7253 17.5060 17.5060 19.2032 19.2034 19.7845 19.7847 20.2308 20.2311 k = 0.5007 0.4974 0.2337 ( 1545 PWs) bands (ev): -6.9319 -6.9319 -6.6727 -6.6727 -3.5937 -3.5936 -1.7177 -1.7174 0.6790 0.6790 0.8451 0.8452 1.9804 1.9809 4.0443 4.0445 6.7353 6.7354 6.9702 6.9702 7.2159 7.2160 8.1826 8.1831 8.2130 8.2132 9.8457 9.8459 11.1009 11.1010 12.7487 12.7488 17.4842 17.4843 19.1789 19.1791 19.7499 19.7502 20.1741 20.1744 k = 0.5008 0.4975 0.2450 ( 1545 PWs) bands (ev): -6.9140 -6.9140 -6.6550 -6.6550 -3.5554 -3.5552 -1.6999 -1.6995 0.5802 0.5802 0.7367 0.7368 1.8782 1.8786 3.9339 3.9340 6.8534 6.8534 7.1024 7.1024 7.2208 7.2208 8.2299 8.2300 8.3114 8.3117 9.9511 9.9512 11.1124 11.1124 12.7732 12.7733 17.4606 17.4606 19.1519 19.1521 19.7155 19.7157 20.1189 20.1192 k = 0.5008 0.4975 0.2563 ( 1539 PWs) bands (ev): -6.8960 -6.8960 -6.6370 -6.6370 -3.5156 -3.5154 -1.6824 -1.6820 0.4841 0.4841 0.6312 0.6312 1.7792 1.7796 3.8256 3.8258 6.9670 6.9672 7.2253 7.2254 7.2324 7.2325 8.2492 8.2493 8.4371 8.4374 10.0530 10.0532 11.1241 11.1241 12.7985 12.7986 17.4351 17.4352 19.1221 19.1224 19.6813 19.6815 20.0657 20.0660 k = 0.5009 0.4975 0.2675 ( 1542 PWs) bands (ev): -6.8777 -6.8777 -6.6190 -6.6190 -3.4745 -3.4744 -1.6656 -1.6652 0.3911 0.3911 0.5286 0.5287 1.6838 1.6842 3.7198 3.7200 7.0755 7.0757 7.2304 7.2306 7.3588 7.3589 8.2708 8.2708 8.5599 8.5603 10.1512 10.1514 11.1360 11.1360 12.8245 12.8246 17.4077 17.4078 19.0894 19.0896 19.6474 19.6477 20.0146 20.0149 k = 0.5009 0.4976 0.2788 ( 1550 PWs) bands (ev): -6.8595 -6.8595 -6.6009 -6.6009 -3.4323 -3.4321 -1.6497 -1.6492 0.3013 0.3013 0.4291 0.4293 1.5921 1.5925 3.6166 3.6168 7.1780 7.1785 7.2352 7.2357 7.4823 7.4823 8.2948 8.2948 8.6796 8.6800 10.2455 10.2456 11.1480 11.1481 12.8512 12.8513 17.3787 17.3787 19.0537 19.0539 19.6142 19.6145 19.9658 19.9662 k = 0.5009 0.4976 0.2901 ( 1554 PWs) bands (ev): -6.8413 -6.8413 -6.5828 -6.5828 -3.3889 -3.3887 -1.6348 -1.6343 0.2148 0.2148 0.3330 0.3332 1.5045 1.5048 3.5162 3.5163 7.2389 7.2396 7.2752 7.2760 7.6022 7.6022 8.3219 8.3219 8.7959 8.7962 10.3357 10.3358 11.1603 11.1603 12.8784 12.8785 17.3480 17.3480 19.0152 19.0155 19.5817 19.5820 19.9196 19.9200 k = 0.5010 0.4976 0.3014 ( 1558 PWs) bands (ev): -6.8232 -6.8232 -6.5649 -6.5649 -3.3446 -3.3444 -1.6212 -1.6207 0.1318 0.1318 0.2404 0.2407 1.4210 1.4213 3.4188 3.4189 7.2442 7.2444 7.3644 7.3646 7.7182 7.7183 8.3523 8.3523 8.9084 8.9087 10.4216 10.4217 11.1726 11.1726 12.9060 12.9061 17.3159 17.3159 18.9742 18.9744 19.5501 19.5504 19.8761 19.8765 k = 0.5010 0.4977 0.3126 ( 1557 PWs) bands (ev): -6.8054 -6.8054 -6.5473 -6.5473 -3.2995 -3.2993 -1.6092 -1.6086 0.0524 0.0524 0.1516 0.1519 1.3421 1.3423 3.3246 3.3248 7.2488 7.2489 7.4461 7.4462 7.8300 7.8301 8.3862 8.3862 9.0169 9.0172 10.5031 10.5032 11.1850 11.1850 12.9338 12.9339 17.2827 17.2827 18.9308 18.9311 19.5195 19.5198 19.8354 19.8359 k = 0.5010 0.4977 0.3239 ( 1553 PWs) bands (ev): -6.7879 -6.7879 -6.5299 -6.5299 -3.2536 -3.2534 -1.5991 -1.5984 -0.0231 -0.0231 0.0667 0.0671 1.2678 1.2680 3.2340 3.2342 7.2532 7.2533 7.5197 7.5198 7.9373 7.9374 8.4237 8.4237 9.1211 9.1214 10.5799 10.5800 11.1973 11.1973 12.9618 12.9619 17.2485 17.2485 18.8856 18.8859 19.4901 19.4904 19.7977 19.7981 k = 0.5011 0.4978 0.3352 ( 1553 PWs) bands (ev): -6.7709 -6.7709 -6.5131 -6.5131 -3.2073 -3.2071 -1.5910 -1.5904 -0.0947 -0.0947 -0.0139 -0.0135 1.1984 1.1986 3.1471 3.1472 7.2575 7.2575 7.5851 7.5852 8.0397 8.0398 8.4644 8.4644 9.2207 9.2210 10.6521 10.6522 11.2095 11.2095 12.9896 12.9897 17.2138 17.2138 18.8391 18.8393 19.4620 19.4623 19.7627 19.7631 k = 0.5011 0.4978 0.3465 ( 1547 PWs) bands (ev): -6.7545 -6.7545 -6.4967 -6.4967 -3.1608 -3.1605 -1.5853 -1.5846 -0.1622 -0.1622 -0.0901 -0.0896 1.1340 1.1341 3.0641 3.0642 7.2616 7.2616 7.6424 7.6425 8.1369 8.1370 8.5080 8.5081 9.3154 9.3157 10.7195 10.7196 11.2216 11.2216 13.0170 13.0172 17.1788 17.1789 18.7918 18.7920 19.4353 19.4356 19.7306 19.7310 k = 0.5011 0.4978 0.3577 ( 1549 PWs) bands (ev): -6.7387 -6.7387 -6.4811 -6.4811 -3.1143 -3.1140 -1.5820 -1.5813 -0.2254 -0.2254 -0.1615 -0.1610 1.0746 1.0748 2.9853 2.9854 7.2654 7.2655 7.6920 7.6920 8.2286 8.2287 8.5538 8.5538 9.4048 9.4051 10.7820 10.7821 11.2334 11.2334 13.0440 13.0441 17.1440 17.1441 18.7443 18.7445 19.4101 19.4104 19.7013 19.7016 k = 0.5012 0.4979 0.3690 ( 1544 PWs) bands (ev): -6.7236 -6.7236 -6.4661 -6.4661 -3.0680 -3.0678 -1.5814 -1.5806 -0.2843 -0.2843 -0.2280 -0.2274 1.0205 1.0206 2.9111 2.9112 7.2691 7.2691 7.7344 7.7344 8.3145 8.3145 8.6008 8.6008 9.4888 9.4891 10.8396 10.8397 11.2449 11.2449 13.0701 13.0702 17.1098 17.1098 18.6974 18.6976 19.3865 19.3868 19.6748 19.6751 k = 0.5012 0.4979 0.3803 ( 1542 PWs) bands (ev): -6.7094 -6.7094 -6.4521 -6.4521 -3.0225 -3.0222 -1.5834 -1.5826 -0.3387 -0.3387 -0.2892 -0.2886 0.9715 0.9716 2.8416 2.8417 7.2725 7.2725 7.7703 7.7703 8.3942 8.3943 8.6479 8.6480 9.5670 9.5672 10.8922 10.8923 11.2559 11.2559 13.0952 13.0953 17.0765 17.0765 18.6519 18.6520 19.3645 19.3648 19.6509 19.6512 k = 0.5012 0.4979 0.3916 ( 1544 PWs) bands (ev): -6.6962 -6.6962 -6.4390 -6.4390 -2.9780 -2.9778 -1.5879 -1.5871 -0.3885 -0.3885 -0.3449 -0.3443 0.9277 0.9278 2.7772 2.7774 7.2756 7.2756 7.8004 7.8005 8.4675 8.4676 8.6942 8.6942 9.6390 9.6393 10.9399 10.9399 11.2664 11.2664 13.1190 13.1191 17.0446 17.0446 18.6082 18.6083 19.3444 19.3446 19.6296 19.6299 k = 0.5013 0.4980 0.4029 ( 1544 PWs) bands (ev): -6.6840 -6.6840 -6.4269 -6.4269 -2.9352 -2.9349 -1.5948 -1.5940 -0.4335 -0.4335 -0.3950 -0.3944 0.8890 0.8890 2.7183 2.7184 7.2785 7.2785 7.8256 7.8257 8.5341 8.5341 8.7385 8.7385 9.7048 9.7050 10.9826 10.9826 11.2763 11.2763 13.1412 13.1413 17.0145 17.0145 18.5670 18.5672 19.3261 19.3263 19.6109 19.6111 k = 0.5013 0.4980 0.4141 ( 1546 PWs) bands (ev): -6.6730 -6.6730 -6.4160 -6.4160 -2.8945 -2.8942 -1.6036 -1.6029 -0.4737 -0.4737 -0.4393 -0.4387 0.8553 0.8553 2.6651 2.6652 7.2811 7.2811 7.8465 7.8465 8.5936 8.5937 8.7799 8.7800 9.7639 9.7641 11.0203 11.0204 11.2854 11.2854 13.1615 13.1616 16.9867 16.9867 18.5291 18.5292 19.3096 19.3098 19.5945 19.5947 k = 0.5013 0.4980 0.4254 ( 1554 PWs) bands (ev): -6.6632 -6.6632 -6.4062 -6.4062 -2.8566 -2.8564 -1.6138 -1.6131 -0.5090 -0.5090 -0.4777 -0.4772 0.8264 0.8264 2.6179 2.6180 7.2833 7.2833 7.8635 7.8635 8.6459 8.6460 8.8176 8.8177 9.8161 9.8163 11.0531 11.0532 11.2936 11.2936 13.1799 13.1799 16.9615 16.9615 18.4948 18.4949 19.2952 19.2953 19.5803 19.5805 k = 0.5014 0.4981 0.4367 ( 1554 PWs) bands (ev): -6.6547 -6.6547 -6.3978 -6.3978 -2.8224 -2.8222 -1.6247 -1.6240 -0.5392 -0.5392 -0.5103 -0.5098 0.8021 0.8021 2.5771 2.5771 7.2853 7.2853 7.8774 7.8774 8.6909 8.6909 8.8510 8.8510 9.8612 9.8614 11.0810 11.0811 11.3009 11.3009 13.1959 13.1960 16.9393 16.9393 18.4648 18.4649 19.2828 19.2829 19.5685 19.5687 k = 0.5014 0.4981 0.4480 ( 1560 PWs) bands (ev): -6.6476 -6.6476 -6.3907 -6.3907 -2.7925 -2.7923 -1.6353 -1.6348 -0.5643 -0.5643 -0.5370 -0.5366 0.7822 0.7823 2.5429 2.5429 7.2869 7.2869 7.8883 7.8883 8.7282 8.7282 8.8794 8.8794 9.8990 9.8991 11.1041 11.1041 11.3070 11.3070 13.2094 13.2094 16.9204 16.9205 18.4393 18.4394 19.2724 19.2725 19.5588 19.5590 k = 0.5015 0.4981 0.4592 ( 1568 PWs) bands (ev): -6.6419 -6.6419 -6.3851 -6.3851 -2.7679 -2.7677 -1.6448 -1.6444 -0.5843 -0.5843 -0.5579 -0.5576 0.7666 0.7666 2.5156 2.5156 7.2881 7.2882 7.8965 7.8966 8.7577 8.7577 8.9022 8.9023 9.9292 9.9293 11.1222 11.1222 11.3120 11.3120 13.2202 13.2203 16.9052 16.9052 18.4189 18.4190 19.2642 19.2643 19.5512 19.5513 k = 0.5015 0.4982 0.4705 ( 1568 PWs) bands (ev): -6.6377 -6.6377 -6.3809 -6.3809 -2.7492 -2.7491 -1.6523 -1.6520 -0.5990 -0.5990 -0.5731 -0.5728 0.7550 0.7550 2.4954 2.4955 7.2891 7.2891 7.9025 7.9025 8.7793 8.7793 8.9194 8.9194 9.9518 9.9518 11.1356 11.1356 11.3158 11.3158 13.2282 13.2282 16.8938 16.8938 18.4038 18.4039 19.2582 19.2582 19.5457 19.5458 k = 0.5015 0.4982 0.4818 ( 1568 PWs) bands (ev): -6.6350 -6.6350 -6.3781 -6.3781 -2.7372 -2.7372 -1.6570 -1.6569 -0.6084 -0.6084 -0.5826 -0.5824 0.7472 0.7472 2.4825 2.4826 7.2897 7.2897 7.9062 7.9062 8.7929 8.7929 8.9306 8.9306 9.9666 9.9667 11.1442 11.1442 11.3182 11.3182 13.2332 13.2333 16.8865 16.8865 18.3942 18.3942 19.2543 19.2544 19.5422 19.5422 k = 0.5016 0.4982 0.4931 ( 1568 PWs) bands (ev): -6.6338 -6.6338 -6.3769 -6.3769 -2.7324 -2.7324 -1.6584 -1.6584 -0.6125 -0.6125 -0.5865 -0.5864 0.7433 0.7433 2.4771 2.4771 7.2900 7.2900 7.9077 7.9077 8.7985 8.7985 8.9355 8.9356 9.9736 9.9736 11.1480 11.1481 11.3193 11.3193 13.2353 13.2353 16.8833 16.8833 18.3902 18.3902 19.2527 19.2527 19.5407 19.5407 k = 0.5016 0.4982 0.4931 ( 1568 PWs) bands (ev): -6.6338 -6.6338 -6.3769 -6.3769 -2.7324 -2.7324 -1.6584 -1.6584 -0.6125 -0.6125 -0.5865 -0.5864 0.7433 0.7433 2.4771 2.4771 7.2900 7.2900 7.9077 7.9077 8.7985 8.7985 8.9355 8.9356 9.9736 9.9736 11.1480 11.1481 11.3193 11.3193 13.2353 13.2353 16.8833 16.8833 18.3902 18.3902 19.2527 19.2527 19.5407 19.5407 k = 0.5000 0.4967 0.4962 ( 1568 PWs) bands (ev): -6.6337 -6.6337 -6.3767 -6.3767 -2.7323 -2.7323 -1.6583 -1.6583 -0.6128 -0.6128 -0.5866 -0.5866 0.7428 0.7428 2.4767 2.4767 7.2902 7.2902 7.9078 7.9078 8.7987 8.7987 8.9359 8.9359 9.9742 9.9742 11.1484 11.1484 11.3194 11.3194 13.2355 13.2355 16.8829 16.8829 18.3900 18.3900 19.2527 19.2527 19.5405 19.5405 k = 0.5000 0.4967 0.4962 ( 1568 PWs) bands (ev): -6.6337 -6.6337 -6.3767 -6.3767 -2.7323 -2.7323 -1.6583 -1.6583 -0.6128 -0.6128 -0.5866 -0.5866 0.7428 0.7428 2.4767 2.4767 7.2902 7.2902 7.9078 7.9078 8.7987 8.7987 8.9359 8.9359 9.9742 9.9742 11.1484 11.1484 11.3194 11.3194 13.2355 13.2355 16.8829 16.8829 18.3900 18.3900 19.2527 19.2527 19.5405 19.5405 k = 0.5048 0.4918 0.4962 ( 1568 PWs) bands (ev): -6.6351 -6.6350 -6.3760 -6.3760 -2.7325 -2.7325 -1.6593 -1.6592 -0.6262 -0.6250 -0.5721 -0.5710 0.7435 0.7435 2.4781 2.4781 7.2899 7.2899 7.9063 7.9063 8.7979 8.7982 8.9353 8.9356 9.9735 9.9736 11.1478 11.1479 11.3176 11.3177 13.2349 13.2349 16.8834 16.8834 18.3913 18.3913 19.2534 19.2535 19.5402 19.5403 k = 0.4952-0.4985 0.4993 ( 1568 PWs) bands (ev): -6.6351 -6.6350 -6.3760 -6.3760 -2.7325 -2.7325 -1.6593 -1.6592 -0.6262 -0.6250 -0.5721 -0.5710 0.7435 0.7435 2.4781 2.4781 7.2899 7.2899 7.9063 7.9063 8.7979 8.7982 8.9353 8.9356 9.9735 9.9736 11.1478 11.1479 11.3176 11.3177 13.2349 13.2349 16.8834 16.8834 18.3913 18.3913 19.2534 19.2535 19.5402 19.5403 k = 0.4872-0.4904 0.4993 ( 1568 PWs) bands (ev): -6.6428 -6.6428 -6.3715 -6.3714 -2.7335 -2.7335 -1.6648 -1.6646 -0.6560 -0.6546 -0.5290 -0.5278 0.7479 0.7480 2.4867 2.4867 7.2884 7.2884 7.8974 7.8974 8.7941 8.7946 8.9327 8.9334 9.9696 9.9698 11.1448 11.1449 11.3073 11.3076 13.2313 13.2313 16.8864 16.8864 18.3988 18.3989 19.2581 19.2582 19.5385 19.5386 k = 0.4792-0.4824 0.4993 ( 1562 PWs) bands (ev): -6.6570 -6.6570 -6.3634 -6.3633 -2.7355 -2.7354 -1.6752 -1.6749 -0.6796 -0.6781 -0.4799 -0.4787 0.7564 0.7564 2.5030 2.5031 7.2856 7.2856 7.8805 7.8806 8.7869 8.7878 8.9280 8.9290 9.9623 9.9626 11.1390 11.1392 11.2880 11.2884 13.2245 13.2245 16.8920 16.8920 18.4130 18.4132 19.2671 19.2673 19.5354 19.5355 k = 0.4712-0.4743 0.4993 ( 1558 PWs) bands (ev): -6.6769 -6.6768 -6.3524 -6.3524 -2.7386 -2.7386 -1.6901 -1.6897 -0.6949 -0.6934 -0.4271 -0.4260 0.7688 0.7689 2.5270 2.5271 7.2813 7.2814 7.8555 7.8556 8.7766 8.7778 8.9211 8.9226 9.9516 9.9519 11.1306 11.1307 11.2597 11.2603 13.2145 13.2146 16.9001 16.9001 18.4337 18.4340 19.2803 19.2805 19.5309 19.5310 k = 0.4632-0.4663 0.4993 ( 1556 PWs) bands (ev): -6.7017 -6.7016 -6.3393 -6.3392 -2.7432 -2.7432 -1.7091 -1.7086 -0.7013 -0.6997 -0.3716 -0.3706 0.7854 0.7855 2.5586 2.5587 7.2758 7.2758 7.8225 7.8226 8.7630 8.7645 8.9123 8.9140 9.9373 9.9378 11.1194 11.1196 11.2228 11.2236 13.2014 13.2015 16.9108 16.9108 18.4605 18.4608 19.2975 19.2978 19.5250 19.5253 k = 0.4552-0.4583 0.4993 ( 1554 PWs) bands (ev): -6.7307 -6.7306 -6.3244 -6.3243 -2.7497 -2.7496 -1.7314 -1.7309 -0.6985 -0.6970 -0.3143 -0.3132 0.8062 0.8062 2.5977 2.5979 7.2688 7.2689 7.7815 7.7816 8.7464 8.7481 8.9016 8.9036 9.9195 9.9201 11.1056 11.1059 11.1778 11.1788 13.1851 13.1852 16.9238 16.9238 18.4930 18.4934 19.3186 19.3190 19.5182 19.5184 k = 0.4472-0.4502 0.4993 ( 1550 PWs) bands (ev): -6.7634 -6.7633 -6.3081 -6.3080 -2.7584 -2.7583 -1.7560 -1.7555 -0.6867 -0.6852 -0.2556 -0.2546 0.8312 0.8313 2.6442 2.6444 7.2607 7.2607 7.7326 7.7328 8.7269 8.7286 8.8892 8.8914 9.8981 9.8988 11.0893 11.0896 11.1252 11.1263 13.1658 13.1659 16.9391 16.9392 18.5307 18.5311 19.3434 19.3438 19.5106 19.5109 k = 0.4393-0.4422 0.4993 ( 1550 PWs) bands (ev): -6.7995 -6.7994 -6.2906 -6.2904 -2.7699 -2.7698 -1.7817 -1.7812 -0.6664 -0.6649 -0.1961 -0.1952 0.8606 0.8607 2.6979 2.6981 7.2511 7.2511 7.6761 7.6763 8.7044 8.7062 8.8750 8.8773 9.8731 9.8739 11.0648 11.0659 11.0710 11.0716 13.1435 13.1436 16.9565 16.9566 18.5729 18.5735 19.3710 19.3716 19.5029 19.5032 k = 0.4313-0.4341 0.4993 ( 1544 PWs) bands (ev): -6.8385 -6.8384 -6.2719 -6.2718 -2.7846 -2.7846 -1.8072 -1.8067 -0.6381 -0.6367 -0.1362 -0.1354 0.8945 0.8947 2.7586 2.7588 7.2403 7.2403 7.6122 7.6124 8.6791 8.6810 8.8591 8.8614 9.8445 9.8454 10.9989 11.0004 11.0494 11.0499 13.1183 13.1184 16.9759 16.9759 18.6192 18.6199 19.4001 19.4009 19.4965 19.4970 k = 0.4233-0.4261 0.4993 ( 1542 PWs) bands (ev): -6.8802 -6.8801 -6.2523 -6.2521 -2.8033 -2.8032 -1.8313 -1.8308 -0.6025 -0.6012 -0.0762 -0.0754 0.9331 0.9333 2.8261 2.8263 7.2280 7.2281 7.5412 7.5414 8.6511 8.6530 8.8416 8.8439 9.8121 9.8131 10.9268 10.9285 11.0259 11.0264 13.0903 13.0904 16.9968 16.9969 18.6688 18.6696 19.4259 19.4269 19.4964 19.4969 k = 0.4153-0.4181 0.4993 ( 1538 PWs) bands (ev): -6.9244 -6.9243 -6.2315 -6.2314 -2.8262 -2.8261 -1.8526 -1.8522 -0.5606 -0.5593 -0.0163 -0.0155 0.9764 0.9766 2.9002 2.9005 7.2143 7.2144 7.4637 7.4638 8.6204 8.6223 8.8223 8.8247 9.7758 9.7769 10.8497 10.8515 11.0002 11.0007 13.0596 13.0597 17.0193 17.0193 18.7211 18.7220 19.4380 19.4389 19.5133 19.5136 k = 0.4073-0.4100 0.4993 ( 1538 PWs) bands (ev): -6.9708 -6.9707 -6.2097 -6.2096 -2.8537 -2.8536 -1.8703 -1.8700 -0.5129 -0.5117 0.0435 0.0443 1.0246 1.0248 2.9806 2.9809 7.1987 7.1988 7.3803 7.3804 8.5869 8.5888 8.8012 8.8035 9.7357 9.7369 10.7682 10.7702 10.9724 10.9729 13.0263 13.0264 17.0430 17.0430 18.7755 18.7765 19.4355 19.4361 19.5477 19.5477 k = 0.3993-0.4020 0.4993 ( 1544 PWs) bands (ev): -7.0191 -7.0190 -6.1868 -6.1867 -2.8860 -2.8859 -1.8836 -1.8833 -0.4604 -0.4593 0.1030 0.1037 1.0778 1.0781 3.0671 3.0674 7.1795 7.1796 7.2933 7.2934 8.5506 8.5525 8.7782 8.7805 9.6915 9.6928 10.6833 10.6855 10.9426 10.9432 12.9906 12.9907 17.0675 17.0675 18.8312 18.8324 19.4271 19.4276 19.5906 19.5908 k = 0.3913-0.3939 0.4993 ( 1542 PWs) bands (ev): -7.0692 -7.0691 -6.1628 -6.1627 -2.9231 -2.9229 -1.8920 -1.8917 -0.4037 -0.4026 0.1622 0.1629 1.1362 1.1365 3.1593 3.1596 7.1469 7.1470 7.2130 7.2131 8.5117 8.5135 8.7532 8.7554 9.6433 9.6447 10.5958 10.5981 10.9110 10.9116 12.9525 12.9527 17.0926 17.0926 18.8878 18.8892 19.4169 19.4173 19.6384 19.6387 k = 0.3834-0.3859 0.4993 ( 1544 PWs) bands (ev): -7.1208 -7.1207 -6.1377 -6.1376 -2.9646 -2.9644 -1.8952 -1.8950 -0.3434 -0.3423 0.2212 0.2219 1.1999 1.2001 3.2569 3.2573 7.0717 7.0718 7.1691 7.1692 8.4698 8.4716 8.7259 8.7280 9.5910 9.5925 10.5065 10.5090 10.8776 10.8782 12.9124 12.9125 17.1180 17.1180 18.9447 18.9463 19.4063 19.4067 19.6896 19.6901 k = 0.3754-0.3779 0.4993 ( 1544 PWs) bands (ev): -7.1738 -7.1736 -6.1114 -6.1113 -3.0102 -3.0100 -1.8934 -1.8932 -0.2801 -0.2791 0.2800 0.2807 1.2688 1.2691 3.3597 3.3601 6.9708 6.9711 7.1452 7.1452 8.4251 8.4269 8.6960 8.6981 9.5347 9.5362 10.4164 10.4191 10.8427 10.8433 12.8702 12.8703 17.1434 17.1434 19.0014 19.0032 19.3961 19.3966 19.7436 19.7441 k = 0.3674-0.3698 0.4993 ( 1538 PWs) bands (ev): -7.2278 -7.2277 -6.0840 -6.0839 -3.0594 -3.0592 -1.8867 -1.8865 -0.2145 -0.2134 0.3388 0.3394 1.3433 1.3436 3.4674 3.4678 6.8618 6.8620 7.1243 7.1244 8.3774 8.3792 8.6634 8.6654 9.4743 9.4759 10.3264 10.3291 10.8063 10.8070 12.8262 12.8263 17.1683 17.1684 19.0575 19.0595 19.3869 19.3876 19.7999 19.8006 k = 0.3594-0.3618 0.4993 ( 1540 PWs) bands (ev): -7.2827 -7.2826 -6.0554 -6.0553 -3.1117 -3.1115 -1.8753 -1.8751 -0.1469 -0.1459 0.3975 0.3981 1.4231 1.4234 3.5795 3.5799 6.7477 6.7481 7.1037 7.1038 8.3267 8.3285 8.6275 8.6295 9.4100 9.4116 10.2371 10.2400 10.7686 10.7692 12.7805 12.7806 17.1925 17.1925 19.1121 19.1145 19.3792 19.3801 19.8582 19.8590 k = 0.3514-0.3537 0.4993 ( 1538 PWs) bands (ev): -7.3383 -7.3382 -6.0257 -6.0255 -3.1665 -3.1663 -1.8596 -1.8594 -0.0778 -0.0768 0.4563 0.4569 1.5083 1.5087 3.6958 3.6963 6.6299 6.6303 7.0828 7.0829 8.2727 8.2745 8.5880 8.5899 9.3421 9.3437 10.1495 10.1525 10.7296 10.7303 12.7333 12.7334 17.2156 17.2156 19.1646 19.1675 19.3739 19.3752 19.9180 19.9190 k = 0.3434-0.3457 0.4993 ( 1536 PWs) bands (ev): -7.3945 -7.3944 -5.9948 -5.9946 -3.2233 -3.2231 -1.8399 -1.8397 -0.0076 -0.0066 0.5155 0.5160 1.5988 1.5993 3.8160 3.8165 6.5089 6.5094 7.0615 7.0616 8.2155 8.2173 8.5444 8.5463 9.2709 9.2725 10.0643 10.0672 10.6897 10.6904 12.6847 12.6849 17.2372 17.2372 19.2135 19.2169 19.3726 19.3744 19.9791 19.9803 k = 0.3354-0.3377 0.4993 ( 1536 PWs) bands (ev): -7.4510 -7.4509 -5.9628 -5.9626 -3.2817 -3.2814 -1.8165 -1.8163 0.0635 0.0644 0.5750 0.5755 1.6947 1.6952 3.9396 3.9402 6.3852 6.3858 7.0396 7.0398 8.1548 8.1566 8.4963 8.4983 9.1970 9.1985 9.9819 9.9848 10.6489 10.6496 12.6350 12.6351 17.2570 17.2570 19.2554 19.2595 19.3786 19.3811 20.0405 20.0423 k = 0.3274-0.3296 0.4993 ( 1534 PWs) bands (ev): -7.5077 -7.5076 -5.9296 -5.9295 -3.3410 -3.3408 -1.7898 -1.7896 0.1352 0.1361 0.6350 0.6355 1.7957 1.7962 4.0665 4.0671 6.2594 6.2600 7.0173 7.0175 8.0904 8.0922 8.4434 8.4454 9.1209 9.1223 9.9028 9.9057 10.6073 10.6080 12.5843 12.5844 17.2746 17.2747 19.2854 19.2898 19.3975 19.4002 20.1004 20.1035 k = 0.3195-0.3216 0.4993 ( 1536 PWs) bands (ev): -7.5645 -7.5644 -5.8954 -5.8953 -3.4010 -3.4008 -1.7600 -1.7597 0.2072 0.2082 0.6956 0.6961 1.9017 1.9023 4.1962 4.1968 6.1318 6.1326 6.9946 6.9947 8.0221 8.0239 8.3854 8.3874 9.0432 9.0445 9.8275 9.8303 10.5650 10.5658 12.5327 12.5329 17.2898 17.2898 19.3020 19.3059 19.4311 19.4332 20.1457 20.1517 k = 0.3115-0.3135 0.4993 ( 1540 PWs) bands (ev): -7.6211 -7.6210 -5.8602 -5.8600 -3.4613 -3.4611 -1.7274 -1.7271 0.2795 0.2805 0.7569 0.7574 2.0125 2.0131 4.3283 4.3290 6.0029 6.0037 6.9714 6.9716 7.9496 7.9515 8.3222 8.3243 8.9645 8.9656 9.7561 9.7587 10.5224 10.5231 12.4805 12.4806 17.3023 17.3023 19.3104 19.3135 19.4736 19.4750 20.1425 20.1457 k = 0.3035-0.3055 0.4993 ( 1540 PWs) bands (ev): -7.6775 -7.6774 -5.8239 -5.8237 -3.5217 -3.5215 -1.6921 -1.6918 0.3520 0.3530 0.8191 0.8196 2.1279 2.1285 4.4625 4.4633 5.8733 5.8742 6.9479 6.9481 7.8727 7.8746 8.2541 8.2562 8.8851 8.8860 9.6888 9.6913 10.4793 10.4801 12.4277 12.4278 17.3118 17.3118 19.3153 19.3179 19.5198 19.5206 20.1139 20.1156 k = 0.2955-0.2975 0.4993 ( 1540 PWs) bands (ev): -7.7335 -7.7334 -5.7866 -5.7864 -3.5817 -3.5815 -1.6543 -1.6540 0.4246 0.4255 0.8822 0.8827 2.2475 2.2481 4.5983 4.5991 5.7434 5.7444 6.9240 6.9242 7.7911 7.7930 8.1816 8.1837 8.8052 8.8060 9.6257 9.6281 10.4361 10.4368 12.3746 12.3747 17.3181 17.3181 19.3187 19.3209 19.5672 19.5677 20.0765 20.0779 k = 0.2875-0.2894 0.4993 ( 1542 PWs) bands (ev): -7.7890 -7.7889 -5.7484 -5.7482 -3.6413 -3.6411 -1.6143 -1.6140 0.4971 0.4981 0.9463 0.9468 2.3711 2.3718 4.7350 4.7359 5.6138 5.6150 6.8999 6.9001 7.7046 7.7065 8.1054 8.1075 8.7248 8.7256 9.5668 9.5690 10.3928 10.3935 12.3212 12.3213 17.3211 17.3212 19.3211 19.3231 19.6148 19.6151 20.0338 20.0352 k = 0.2795-0.2814 0.4993 ( 1542 PWs) bands (ev): -7.8439 -7.8438 -5.7094 -5.7092 -3.7002 -3.7000 -1.5722 -1.5719 0.5697 0.5707 1.0114 1.0119 2.4984 2.4991 4.8714 4.8726 5.4856 5.4871 6.8756 6.8758 7.6131 7.6149 8.0263 8.0284 8.6437 8.6444 9.5123 9.5143 10.3495 10.3503 12.2678 12.2679 17.3208 17.3208 19.3221 19.3237 19.6622 19.6625 19.9877 19.9894 k = 0.2715-0.2733 0.4993 ( 1540 PWs) bands (ev): -7.8981 -7.8980 -5.6696 -5.6694 -3.7582 -3.7580 -1.5281 -1.5277 0.6423 0.6433 1.0777 1.0782 2.6289 2.6297 5.0042 5.0058 5.3622 5.3642 6.8511 6.8513 7.5165 7.5183 7.9453 7.9474 8.5616 8.5623 9.4618 9.4637 10.3065 10.3072 12.2145 12.2146 17.3170 17.3170 19.3204 19.3219 19.7089 19.7092 19.9403 19.9424 k = 0.2636-0.2653 0.4993 ( 1538 PWs) bands (ev): -7.9515 -7.9514 -5.6290 -5.6288 -3.8152 -3.8150 -1.4821 -1.4818 0.7148 0.7159 1.1450 1.1456 2.7623 2.7632 5.1087 5.1115 5.2674 5.2706 6.8264 6.8267 7.4151 7.4169 7.8634 7.8654 8.4782 8.4790 9.4155 9.4171 10.2638 10.2645 12.1614 12.1615 17.3097 17.3098 19.3144 19.3156 19.7536 19.7541 19.8953 19.8975 k = 0.2556-0.2573 0.4993 ( 1538 PWs) bands (ev): -8.0040 -8.0039 -5.5878 -5.5876 -3.8710 -3.8709 -1.4345 -1.4341 0.7873 0.7884 1.2136 1.2141 2.8981 2.8990 5.0661 5.0671 5.3239 5.3252 6.8016 6.8019 7.3092 7.3109 7.7812 7.7832 8.3933 8.3941 9.3731 9.3746 10.2216 10.2223 12.1086 12.1087 17.2990 17.2991 19.3013 19.3023 19.7891 19.7905 19.8626 19.8643 k = 0.2476-0.2492 0.4993 ( 1538 PWs) bands (ev): -8.0555 -8.0555 -5.5461 -5.5459 -3.9255 -3.9254 -1.3852 -1.3848 0.8598 0.8610 1.2833 1.2839 3.0357 3.0367 4.9529 4.9535 5.4508 5.4512 6.7768 6.7771 7.1993 7.2009 7.6996 7.7015 8.3067 8.3076 9.3344 9.3357 10.1799 10.1806 12.0564 12.0564 17.2849 17.2850 19.2783 19.2791 19.7871 19.7904 19.8737 19.8740 k = 0.2396-0.2412 0.4993 ( 1542 PWs) bands (ev): -8.1060 -8.1059 -5.5039 -5.5037 -3.9786 -3.9785 -1.3344 -1.3340 0.9322 0.9334 1.3543 1.3548 3.1743 3.1754 4.8341 4.8348 5.5837 5.5839 6.7517 6.7521 7.0860 7.0876 7.6192 7.6210 8.2183 8.2193 9.2991 9.3002 10.1390 10.1398 12.0047 12.0047 17.2674 17.2675 19.2425 19.2432 19.7648 19.7688 19.9143 19.9147 k = 0.2316-0.2331 0.4993 ( 1542 PWs) bands (ev): -8.1554 -8.1553 -5.4614 -5.4611 -4.0302 -4.0300 -1.2822 -1.2818 1.0045 1.0058 1.4264 1.4270 3.3128 3.3139 4.7172 4.7181 5.7154 5.7157 6.7264 6.7269 6.9701 6.9717 7.5409 7.5427 8.1282 8.1293 9.2671 9.2681 10.0990 10.0997 11.9537 11.9538 17.2468 17.2469 19.1925 19.1932 19.7481 19.7524 19.9606 19.9612 k = 0.2236-0.2251 0.4993 ( 1542 PWs) bands (ev): -8.2035 -8.2034 -5.4186 -5.4184 -4.0800 -4.0798 -1.2288 -1.2283 1.0767 1.0780 1.4998 1.5004 3.4493 3.4506 4.6054 4.6063 5.8433 5.8436 6.7005 6.7012 6.8528 6.8544 7.4658 7.4675 8.0364 8.0375 9.2381 9.2390 10.0601 10.0609 11.9036 11.9037 17.2231 17.2233 19.1286 19.1294 19.7406 19.7451 20.0089 20.0095 k = 0.2156-0.2171 0.4993 ( 1542 PWs) bands (ev): -8.2504 -8.2503 -5.3759 -5.3756 -4.1281 -4.1279 -1.1741 -1.1737 1.1485 1.1500 1.5744 1.5750 3.5805 3.5820 4.5024 4.5034 5.9650 5.9654 6.6709 6.6720 6.7373 6.7393 7.3955 7.3971 7.9432 7.9444 9.2118 9.2126 10.0225 10.0232 11.8545 11.8545 17.1965 17.1967 19.0525 19.0534 19.7417 19.7463 20.0581 20.0589 k = 0.2076-0.2090 0.4993 ( 1546 PWs) bands (ev): -8.2960 -8.2959 -5.3332 -5.3330 -4.1742 -4.1740 -1.1185 -1.1180 1.2201 1.2216 1.6502 1.6508 3.6994 3.7013 4.4153 4.4163 6.0775 6.0779 6.6009 6.6010 6.6628 6.6637 7.3322 7.3339 7.8488 7.8500 9.1881 9.1888 9.9863 9.9871 11.8064 11.8064 17.1671 17.1674 18.9664 18.9674 19.7496 19.7543 20.1083 20.1091 k = 0.1997-0.2010 0.4993 ( 1550 PWs) bands (ev): -8.3402 -8.3401 -5.2908 -5.2906 -4.2183 -4.2181 -1.0619 -1.0615 1.2910 1.2927 1.7271 1.7278 3.7912 3.7936 4.3591 4.3599 6.1764 6.1768 6.4850 6.4857 6.6331 6.6332 7.2795 7.2812 7.7537 7.7550 9.1667 9.1673 9.9519 9.9528 11.7594 11.7595 17.1351 17.1354 18.8723 18.8733 19.7628 19.7674 20.1593 20.1602 k = 0.1917-0.1930 0.4993 ( 1550 PWs) bands (ev): -8.3830 -8.3830 -5.2490 -5.2487 -4.2601 -4.2599 -1.0045 -1.0041 1.3613 1.3630 1.8051 1.8058 3.8321 3.8350 4.3576 4.3583 6.2556 6.2563 6.3662 6.3671 6.6071 6.6074 7.2418 7.2436 7.6585 7.6598 9.1473 9.1479 9.9197 9.9205 11.7137 11.7138 17.1006 17.1009 18.7719 18.7730 19.7797 19.7844 20.2111 20.2121 k = 0.1837-0.1849 0.4993 ( 1548 PWs) bands (ev): -8.4244 -8.4243 -5.2079 -5.2077 -4.2995 -4.2994 -0.9465 -0.9460 1.4305 1.4324 1.8842 1.8849 3.8131 3.8163 4.4199 4.4205 6.2434 6.2444 6.3140 6.3144 6.5819 6.5822 7.2240 7.2258 7.5644 7.5660 9.1297 9.1302 9.8898 9.8907 11.6693 11.6694 17.0637 17.0641 18.6666 18.6678 19.7996 19.8043 20.2637 20.2648 k = 0.1757-0.1769 0.4993 ( 1546 PWs) bands (ev): -8.4642 -8.4642 -5.1679 -5.1677 -4.3364 -4.3362 -0.8879 -0.8875 1.4985 1.5005 1.9643 1.9650 3.7559 3.7590 4.5244 4.5248 6.1269 6.1278 6.3375 6.3378 6.5570 6.5575 7.2272 7.2290 7.4748 7.4765 9.1136 9.1140 9.8628 9.8638 11.6263 11.6264 17.0247 17.0251 18.5574 18.5587 19.8215 19.8262 20.3170 20.3182 k = 0.1677-0.1688 0.4993 ( 1544 PWs) bands (ev): -8.5025 -8.5025 -5.1293 -5.1291 -4.3704 -4.3702 -0.8290 -0.8285 1.5647 1.5668 2.0453 2.0461 3.6824 3.6857 4.6484 4.6489 6.0116 6.0125 6.3317 6.3322 6.5324 6.5328 7.2392 7.2406 7.4019 7.4041 9.0985 9.0990 9.8392 9.8403 11.5848 11.5848 16.9837 16.9842 18.4454 18.4467 19.8450 19.8496 20.3708 20.3721 k = 0.1597-0.1608 0.4993 ( 1538 PWs) bands (ev): -8.5393 -8.5392 -5.0926 -5.0924 -4.4012 -4.4010 -0.7699 -0.7695 1.6286 1.6308 2.1272 2.1280 3.6045 3.6079 4.7799 4.7805 5.8996 5.9006 6.3005 6.3012 6.5075 6.5079 7.2139 7.2143 7.3876 7.3904 9.0843 9.0847 9.8196 9.8208 11.5448 11.5449 16.9410 16.9415 18.3315 18.3328 19.8696 19.8743 20.4253 20.4266 k = 0.1517-0.1528 0.4993 ( 1536 PWs) bands (ev): -8.5744 -8.5743 -5.0582 -5.0580 -4.4284 -4.4282 -0.7109 -0.7104 1.6896 1.6920 2.2097 2.2105 3.5278 3.5313 4.9116 4.9124 5.7932 5.7943 6.2506 6.2515 6.4814 6.4819 7.1413 7.1420 7.4349 7.4378 9.0704 9.0707 9.8046 9.8059 11.5065 11.5065 16.8966 16.8972 18.2164 18.2178 19.8951 19.8997 20.4800 20.4814 k = 0.1438-0.1447 0.4993 ( 1542 PWs) bands (ev): -8.6079 -8.6078 -5.0268 -5.0265 -4.4517 -4.4515 -0.6521 -0.6516 1.7469 1.7495 2.2929 2.2937 3.4553 3.4590 5.0369 5.0378 5.6965 5.6978 6.1883 6.1892 6.4538 6.4543 7.0567 7.0577 7.5033 7.5063 9.0562 9.0566 9.7950 9.7964 11.4697 11.4698 16.8509 16.8515 18.1009 18.1023 19.9211 19.9256 20.5349 20.5364 k = 0.1358-0.1367 0.4993 ( 1544 PWs) bands (ev): -8.6397 -8.6396 -4.9988 -4.9986 -4.4706 -4.4704 -0.5937 -0.5932 1.7997 1.8025 2.3764 2.3773 3.3894 3.3934 5.1436 5.1447 5.6199 5.6216 6.1182 6.1192 6.4238 6.4245 6.9719 6.9730 7.5774 7.5806 9.0414 9.0417 9.7914 9.7928 11.4347 11.4348 16.8039 16.8046 17.9857 17.9872 19.9476 19.9520 20.5899 20.5914 k = 0.1278-0.1286 0.4993 ( 1548 PWs) bands (ev): -8.6698 -8.6698 -4.9750 -4.9748 -4.4845 -4.4843 -0.5359 -0.5355 1.8469 1.8499 2.4602 2.4611 3.3319 3.3360 5.2048 5.2060 5.5881 5.5900 6.0446 6.0457 6.3909 6.3918 6.8905 6.8918 7.6513 7.6546 9.0254 9.0257 9.7943 9.7959 11.4015 11.4015 16.7561 16.7568 17.8718 17.8732 19.9741 19.9785 20.6447 20.6462 k = 0.1198-0.1206 0.4993 ( 1546 PWs) bands (ev): -8.6982 -8.6982 -4.9559 -4.9557 -4.4932 -4.4929 -0.4791 -0.4786 1.8876 1.8907 2.5440 2.5450 3.2843 3.2885 5.1952 5.1962 5.6219 5.6240 5.9730 5.9744 6.3544 6.3555 6.8151 6.8166 7.7218 7.7252 9.0078 9.0080 9.8042 9.8058 11.3701 11.3701 16.7077 16.7084 17.7597 17.7611 20.0008 20.0050 20.6990 20.7006 k = 0.1118-0.1126 0.4993 ( 1536 PWs) bands (ev): -8.7249 -8.7249 -4.9416 -4.9414 -4.4964 -4.4962 -0.4234 -0.4230 1.9207 1.9239 2.6275 2.6285 3.2479 3.2523 5.1366 5.1375 5.6835 5.6863 5.9187 5.9210 6.3143 6.3159 6.7477 6.7494 7.7869 7.7904 8.9883 8.9885 9.8211 9.8228 11.3405 11.3405 16.6591 16.6598 17.6502 17.6517 20.0272 20.0314 20.7527 20.7543 k = 0.1038-0.1045 0.4993 ( 1536 PWs) bands (ev): -8.7498 -8.7498 -4.9323 -4.9321 -4.4945 -4.4943 -0.3693 -0.3689 1.9455 1.9487 2.7102 2.7113 3.2237 3.2282 5.0597 5.0606 5.6966 5.6997 5.9256 5.9284 6.2731 6.2754 6.6895 6.6914 7.8454 7.8490 8.9667 8.9669 9.8448 9.8464 11.3128 11.3128 16.6104 16.6112 17.5442 17.5456 20.0533 20.0573 20.8054 20.8070 k = 0.0958-0.0965 0.4993 ( 1538 PWs) bands (ev): -8.7729 -8.7729 -4.9274 -4.9273 -4.4880 -4.4878 -0.3171 -0.3166 1.9618 1.9650 2.7917 2.7928 3.2122 3.2167 4.9779 4.9790 5.6445 5.6470 5.9876 5.9902 6.2411 6.2446 6.6412 6.6434 7.8965 7.9002 8.9431 8.9434 9.8745 9.8762 11.2870 11.2870 16.5622 16.5630 17.4422 17.4436 20.0788 20.0826 20.8568 20.8584 k = 0.0879-0.0884 0.4993 ( 1540 PWs) bands (ev): -8.7943 -8.7943 -4.9262 -4.9261 -4.4779 -4.4777 -0.2669 -0.2665 1.9697 1.9728 2.8712 2.8723 3.2135 3.2179 4.8966 4.8978 5.5702 5.5722 6.0249 6.0276 6.2503 6.2552 6.6025 6.6051 7.9401 7.9439 8.9178 8.9181 9.9094 9.9110 11.2632 11.2632 16.5150 16.5158 17.3452 17.3465 20.1035 20.1071 20.9066 20.9082 k = 0.0799-0.0804 0.4993 ( 1544 PWs) bands (ev): -8.8138 -8.8138 -4.9279 -4.9278 -4.4652 -4.4650 -0.2193 -0.2189 1.9703 1.9732 2.9478 2.9490 3.2269 3.2312 4.8180 4.8193 5.4903 5.4921 6.0033 6.0053 6.3182 6.3233 6.5736 6.5769 7.9760 7.9799 8.8912 8.8915 9.9481 9.9497 11.2413 11.2413 16.4690 16.4698 17.2537 17.2550 20.1273 20.1307 20.9545 20.9560 k = 0.0719-0.0724 0.4993 ( 1542 PWs) bands (ev): -8.8315 -8.8315 -4.9315 -4.9314 -4.4509 -4.4508 -0.1746 -0.1742 1.9647 1.9674 3.0203 3.0216 3.2515 3.2555 4.7436 4.7449 5.4097 5.4114 5.9528 5.9542 6.4046 6.4104 6.5580 6.5628 8.0046 8.0084 8.8637 8.8642 9.9893 9.9908 11.2215 11.2215 16.4250 16.4258 17.1686 17.1699 20.1499 20.1531 21.0001 21.0015 k = 0.0639-0.0643 0.4993 ( 1534 PWs) bands (ev): -8.8474 -8.8474 -4.9363 -4.9362 -4.4361 -4.4359 -0.1332 -0.1328 1.9547 1.9571 3.0874 3.0887 3.2859 3.2896 4.6740 4.6755 5.3307 5.3322 5.8941 5.8952 6.4647 6.4705 6.5793 6.5847 8.0261 8.0299 8.8363 8.8368 10.0314 10.0328 11.2037 11.2037 16.3835 16.3843 17.0906 17.0917 20.1711 20.1740 21.0430 21.0444 k = 0.0559-0.0563 0.4993 ( 1526 PWs) bands (ev): -8.8614 -8.8614 -4.9416 -4.9415 -4.4214 -4.4212 -0.0954 -0.0951 1.9419 1.9440 3.1478 3.1491 3.3283 3.3316 4.6101 4.6116 5.2548 5.2562 5.8347 5.8355 6.4753 6.4783 6.6542 6.6574 8.0411 8.0448 8.8095 8.8101 10.0729 10.0741 11.1879 11.1879 16.3450 16.3457 17.0201 17.0212 20.1907 20.1933 21.0828 21.0841 k = 0.0479-0.0482 0.4993 ( 1528 PWs) bands (ev): -8.8736 -8.8736 -4.9471 -4.9470 -4.4075 -4.4074 -0.0617 -0.0614 1.9277 1.9295 3.2007 3.2021 3.3761 3.3790 4.5524 4.5539 5.1835 5.1848 5.7781 5.7787 6.4695 6.4711 6.7411 6.7434 8.0502 8.0537 8.7841 8.7848 10.1122 10.1133 11.1742 11.1742 16.3100 16.3107 16.9579 16.9588 20.2083 20.2106 21.1190 21.1201 k = 0.0399-0.0402 0.4993 ( 1528 PWs) bands (ev): -8.8839 -8.8839 -4.9522 -4.9521 -4.3950 -4.3949 -0.0324 -0.0322 1.9136 1.9151 3.2463 3.2476 3.4258 3.4282 4.5015 4.5030 5.1184 5.1195 5.7266 5.7271 6.4616 6.4626 6.8234 6.8253 8.0542 8.0574 8.7611 8.7618 10.1480 10.1489 11.1626 11.1626 16.2792 16.2798 16.9043 16.9051 20.2239 20.2258 21.1510 21.1521 k = 0.0319-0.0322 0.4993 ( 1532 PWs) bands (ev): -8.8924 -8.8924 -4.9567 -4.9566 -4.3843 -4.3842 -0.0080 -0.0077 1.9006 1.9018 3.2845 3.2856 3.4736 3.4756 4.4580 4.4594 5.0612 5.0622 5.6819 5.6823 6.4545 6.4551 6.8962 6.8978 8.0543 8.0571 8.7412 8.7418 10.1791 10.1798 11.1531 11.1531 16.2531 16.2536 16.8599 16.8605 20.2370 20.2385 21.1786 21.1795 k = 0.0240-0.0241 0.4993 ( 1532 PWs) bands (ev): -8.8990 -8.8990 -4.9604 -4.9604 -4.3756 -4.3756 0.0115 0.0116 1.8897 1.8906 3.3152 3.3161 3.5157 3.5173 4.4229 4.4241 5.0139 5.0146 5.6456 5.6459 6.4488 6.4492 6.9566 6.9579 8.0518 8.0542 8.7251 8.7256 10.2044 10.2050 11.1456 11.1456 16.2322 16.2326 16.8250 16.8255 20.2475 20.2487 21.2010 21.2017 k = 0.0160-0.0161 0.4993 ( 1534 PWs) bands (ev): -8.9037 -8.9037 -4.9631 -4.9631 -4.3693 -4.3692 0.0255 0.0256 1.8814 1.8820 3.3378 3.3384 3.5489 3.5499 4.3968 4.3977 4.9782 4.9788 5.6187 5.6189 6.4447 6.4450 7.0021 7.0030 8.0485 8.0502 8.7133 8.7136 10.2231 10.2235 11.1403 11.1403 16.2170 16.2173 16.7999 16.8003 20.2552 20.2560 21.2176 21.2181 k = 0.0080-0.0080 0.4993 ( 1534 PWs) bands (ev): -8.9065 -8.9065 -4.9648 -4.9648 -4.3654 -4.3654 0.0340 0.0341 1.8764 1.8767 3.3518 3.3521 3.5702 3.5708 4.3808 4.3813 4.9561 4.9564 5.6023 5.6024 6.4423 6.4424 7.0305 7.0310 8.0459 8.0468 8.7061 8.7063 10.2347 10.2349 11.1371 11.1371 16.2078 16.2079 16.7848 16.7850 20.2600 20.2604 21.2280 21.2282 k = 0.0000 0.0000 0.4993 ( 1534 PWs) bands (ev): -8.9074 -8.9074 -4.9654 -4.9654 -4.3641 -4.3641 0.0369 0.0369 1.8747 1.8747 3.3567 3.3567 3.5778 3.5778 4.3756 4.3756 4.9487 4.9487 5.5967 5.5967 6.4415 6.4415 7.0403 7.0403 8.0452 8.0452 8.7037 8.7037 10.2386 10.2386 11.1361 11.1361 16.2048 16.2048 16.7798 16.7798 20.2617 20.2617 21.2316 21.2316 k = 0.0000 0.0000 0.4993 ( 1534 PWs) bands (ev): -8.9074 -8.9074 -4.9654 -4.9654 -4.3641 -4.3641 0.0369 0.0369 1.8747 1.8747 3.3567 3.3567 3.5778 3.5778 4.3756 4.3756 4.9487 4.9487 5.5967 5.5967 6.4415 6.4415 7.0403 7.0403 8.0452 8.0452 8.7037 8.7037 10.2386 10.2386 11.1361 11.1361 16.2048 16.2048 16.7798 16.7798 20.2617 20.2617 21.2316 21.2316 k = 0.0080 0.0080 0.4993 ( 1532 PWs) bands (ev): -8.9064 -8.9064 -4.9644 -4.9644 -4.3668 -4.3668 0.0399 0.0401 1.8713 1.8713 3.3486 3.3491 3.5708 3.5710 4.3853 4.3857 4.9529 4.9530 5.6027 5.6028 6.4339 6.4339 7.0410 7.0410 8.0437 8.0439 8.7085 8.7087 10.2393 10.2393 11.1324 11.1324 16.2094 16.2096 16.7841 16.7843 20.2576 20.2582 21.2284 21.2286 k = 0.0161 0.0160 0.4993 ( 1530 PWs) bands (ev): -8.9034 -8.9034 -4.9615 -4.9615 -4.3748 -4.3747 0.0489 0.0492 1.8609 1.8609 3.3259 3.3269 3.5506 3.5509 4.4140 4.4147 4.9654 4.9656 5.6205 5.6205 6.4117 6.4117 7.0432 7.0432 8.0393 8.0398 8.7228 8.7231 10.2412 10.2412 11.1213 11.1214 16.2236 16.2239 16.7971 16.7973 20.2459 20.2472 21.2192 21.2195 k = 0.0241 0.0240 0.4993 ( 1529 PWs) bands (ev): -8.8983 -8.8983 -4.9568 -4.9567 -4.3880 -4.3879 0.0638 0.0643 1.8437 1.8438 3.2911 3.2925 3.5181 3.5185 4.4592 4.4602 4.9849 4.9850 5.6491 5.6492 6.3765 6.3766 7.0468 7.0468 8.0319 8.0325 8.7459 8.7462 10.2444 10.2444 11.1033 11.1034 16.2472 16.2477 16.8184 16.8187 20.2270 20.2289 21.2041 21.2046 k = 0.0322 0.0319 0.4993 ( 1534 PWs) bands (ev): -8.8912 -8.8912 -4.9501 -4.9501 -4.4063 -4.4062 0.0842 0.0848 1.8201 1.8202 3.2474 3.2491 3.4748 3.4752 4.5179 4.5191 5.0092 5.0094 5.6873 5.6874 6.3314 6.3315 7.0519 7.0519 8.0210 8.0217 8.7766 8.7770 10.2489 10.2489 11.0790 11.0791 16.2801 16.2807 16.8478 16.8482 20.2015 20.2039 21.1833 21.1839 k = 0.0402 0.0399 0.4993 ( 1537 PWs) bands (ev): -8.8820 -8.8820 -4.9415 -4.9415 -4.4294 -4.4293 0.1098 0.1105 1.7904 1.7906 3.1978 3.1998 3.4223 3.4229 4.5872 4.5886 5.0358 5.0359 5.7326 5.7328 6.2811 6.2813 7.0583 7.0584 8.0062 8.0071 8.8137 8.8141 10.2547 10.2547 11.0490 11.0492 16.3220 16.3227 16.8845 16.8850 20.1700 20.1729 21.1572 21.1578 k = 0.0482 0.0479 0.4993 ( 1539 PWs) bands (ev): -8.8709 -8.8709 -4.9310 -4.9310 -4.4571 -4.4570 0.1399 0.1408 1.7551 1.7553 3.1450 3.1472 3.3625 3.3631 4.6645 4.6661 5.0610 5.0610 5.7814 5.7816 6.2324 6.2328 7.0663 7.0663 7.9873 7.9881 8.8557 8.8561 10.2617 10.2617 11.0144 11.0146 16.3727 16.3736 16.9281 16.9287 20.1334 20.1367 21.1260 21.1267 k = 0.0563 0.0559 0.4993 ( 1542 PWs) bands (ev): -8.8577 -8.8577 -4.9187 -4.9186 -4.4891 -4.4889 0.1739 0.1750 1.7147 1.7150 3.0912 3.0937 3.2967 3.2973 4.7482 4.7498 5.0801 5.0801 5.8274 5.8277 6.1959 6.1964 7.0757 7.0757 7.9638 7.9646 8.9011 8.9015 10.2699 10.2699 10.9763 10.9765 16.4319 16.4329 16.9779 16.9785 20.0925 20.0961 21.0901 21.0908 k = 0.0643 0.0639 0.4993 ( 1542 PWs) bands (ev): -8.8425 -8.8425 -4.9044 -4.9044 -4.5250 -4.5249 0.2112 0.2124 1.6696 1.6699 3.0382 3.0409 3.2263 3.2269 4.8365 4.8382 5.0871 5.0873 5.8623 5.8625 6.1855 6.1861 7.0865 7.0865 7.9354 7.9362 8.9487 8.9490 10.2794 10.2794 10.9359 10.9361 16.4992 16.5003 17.0330 17.0337 20.0479 20.0518 21.0499 21.0506 k = 0.0724 0.0719 0.4993 ( 1541 PWs) bands (ev): -8.8253 -8.8253 -4.8883 -4.8882 -4.5646 -4.5644 0.2507 0.2521 1.6205 1.6208 2.9877 2.9905 3.1523 3.1530 4.9285 4.9302 5.0754 5.0757 5.8827 5.8827 6.2109 6.2116 7.0988 7.0988 7.9019 7.9025 8.9972 8.9974 10.2901 10.2901 10.8944 10.8946 16.5742 16.5755 17.0928 17.0936 20.0005 20.0047 21.0057 21.0065 k = 0.0804 0.0799 0.4993 ( 1542 PWs) bands (ev): -8.8061 -8.8061 -4.8702 -4.8702 -4.6074 -4.6073 0.2916 0.2932 1.5677 1.5681 2.9409 2.9439 3.0758 3.0765 5.0233 5.0250 5.0393 5.0396 5.8984 5.8985 6.2676 6.2682 7.1126 7.1126 7.8628 7.8634 9.0457 9.0458 10.3020 10.3021 10.8532 10.8535 16.6564 16.6577 17.1566 17.1574 19.9509 19.9552 20.9579 20.9586 k = 0.0884 0.0878 0.4993 ( 1538 PWs) bands (ev): -8.7849 -8.7849 -4.8504 -4.8503 -4.6532 -4.6530 0.3328 0.3345 1.5119 1.5122 2.8992 2.9023 2.9975 2.9982 4.9767 4.9771 5.1201 5.1218 5.9225 5.9227 6.3440 6.3446 7.1278 7.1279 7.8182 7.8187 9.0931 9.0931 10.3151 10.3151 10.8137 10.8139 16.7451 16.7465 17.2236 17.2244 19.8997 19.9042 20.9068 20.9075 k = 0.0965 0.0958 0.4993 ( 1540 PWs) bands (ev): -8.7617 -8.7617 -4.8286 -4.8286 -4.7016 -4.7014 0.3733 0.3751 1.4533 1.4537 2.8637 2.8670 2.9179 2.9186 4.8896 4.8900 5.2185 5.2202 5.9607 5.9609 6.4321 6.4326 7.1444 7.1445 7.7680 7.7684 9.1387 9.1388 10.3293 10.3294 10.7769 10.7772 16.8399 16.8414 17.2932 17.2941 19.8476 19.8522 20.8527 20.8533 k = 0.1045 0.1038 0.4993 ( 1544 PWs) bands (ev): -8.7366 -8.7366 -4.8051 -4.8050 -4.7522 -4.7520 0.4117 0.4137 1.3925 1.3929 2.8352 2.8373 2.8387 2.8394 4.7824 4.7828 5.3180 5.3197 6.0127 6.0130 6.5269 6.5275 7.1626 7.1627 7.7123 7.7126 9.1821 9.1823 10.3447 10.3447 10.7442 10.7445 16.9399 16.9415 17.3649 17.3658 19.7949 19.7996 20.7959 20.7964 k = 0.1126 0.1118 0.4993 ( 1544 PWs) bands (ev): -8.7095 -8.7095 -4.8048 -4.8046 -4.7797 -4.7796 0.4471 0.4492 1.3299 1.3303 2.7569 2.7576 2.8164 2.8199 4.6598 4.6601 5.4182 5.4198 6.0762 6.0764 6.6254 6.6260 7.1822 7.1823 7.6516 7.6519 9.2228 9.2230 10.3611 10.3611 10.7166 10.7168 17.0445 17.0462 17.4383 17.4391 19.7421 19.7469 20.7367 20.7372 k = 0.1206 0.1198 0.4993 ( 1546 PWs) bands (ev): -8.6805 -8.6804 -4.8589 -4.8587 -4.7526 -4.7525 0.4782 0.4804 1.2657 1.2661 2.6764 2.6770 2.8066 2.8102 4.5254 4.5257 5.5187 5.5203 6.1484 6.1487 6.7249 6.7254 7.2033 7.2034 7.5873 7.5874 9.2606 9.2609 10.3786 10.3786 10.6948 10.6951 17.1530 17.1546 17.5129 17.5136 19.6897 19.6946 20.6753 20.6758 k = 0.1286 0.1278 0.4993 ( 1548 PWs) bands (ev): -8.6495 -8.6495 -4.9144 -4.9142 -4.7236 -4.7235 0.5041 0.5064 1.2004 1.2008 2.5961 2.5967 2.8073 2.8110 4.3823 4.3825 5.6192 5.6208 6.2272 6.2274 6.8215 6.8221 7.2259 7.2260 7.5220 7.5221 9.2953 9.2956 10.3971 10.3971 10.6796 10.6799 17.2645 17.2661 17.5885 17.5892 19.6380 19.6428 20.6121 20.6125 k = 0.1367 0.1358 0.4993 ( 1549 PWs) bands (ev): -8.6167 -8.6167 -4.9710 -4.9708 -4.6929 -4.6928 0.5238 0.5262 1.1341 1.1345 2.5164 2.5170 2.8193 2.8230 4.2325 4.2327 5.7195 5.7211 6.3109 6.3111 6.9085 6.9090 7.2501 7.2502 7.4623 7.4624 9.3269 9.3273 10.4166 10.4166 10.6714 10.6717 17.3778 17.3793 17.6653 17.6659 19.5871 19.5920 20.5471 20.5475 k = 0.1447 0.1438 0.4993 ( 1549 PWs) bands (ev): -8.5820 -8.5819 -5.0284 -5.0282 -4.6605 -4.6604 0.5369 0.5393 1.0672 1.0676 2.4375 2.4381 2.8429 2.8466 4.0776 4.0777 5.8192 5.8208 6.3980 6.3982 6.9712 6.9716 7.2759 7.2760 7.4225 7.4226 9.3556 9.3561 10.4370 10.4370 10.6704 10.6707 17.4916 17.4931 17.7436 17.7439 19.5375 19.5424 20.4807 20.4810 k = 0.1527 0.1517 0.4993 ( 1543 PWs) bands (ev): -8.5454 -8.5453 -5.0864 -5.0862 -4.6263 -4.6262 0.5430 0.5453 0.9998 1.0002 2.3595 2.3601 2.8783 2.8820 3.9187 3.9188 5.9182 5.9197 6.4874 6.4877 6.9870 6.9870 7.3032 7.3033 7.4254 7.4257 9.3817 9.3821 10.4583 10.4583 10.6766 10.6768 17.6043 17.6055 17.8242 17.8242 19.4894 19.4943 20.4130 20.4132 k = 0.1608 0.1597 0.4993 ( 1545 PWs) bands (ev): -8.5069 -8.5069 -5.1448 -5.1446 -4.5905 -4.5903 0.5420 0.5443 0.9322 0.9326 2.2826 2.2832 2.9254 2.9290 3.7569 3.7569 6.0161 6.0176 6.5777 6.5780 6.9480 6.9483 7.3322 7.3323 7.4791 7.4796 9.4055 9.4059 10.4805 10.4805 10.6897 10.6899 17.7133 17.7140 17.9083 17.9088 19.4428 19.4477 20.3440 20.3442 k = 0.1688 0.1677 0.4993 ( 1543 PWs) bands (ev): -8.4667 -8.4666 -5.2034 -5.2032 -4.5530 -4.5528 0.5342 0.5365 0.8645 0.8649 2.2070 2.2075 2.9838 2.9874 3.5928 3.5928 6.1126 6.1141 6.6649 6.6656 6.8752 6.8760 7.3628 7.3630 7.5661 7.5667 9.4273 9.4278 10.5035 10.5035 10.7094 10.7096 17.8157 17.8158 17.9983 17.9995 19.3981 19.4029 20.2741 20.2742 k = 0.1769 0.1757 0.4993 ( 1540 PWs) bands (ev): -8.4246 -8.4246 -5.2620 -5.2618 -4.5138 -4.5137 0.5201 0.5223 0.7969 0.7972 2.1326 2.1331 3.0528 3.0563 3.4270 3.4270 6.2076 6.2090 6.7153 6.7168 6.8188 6.8206 7.3952 7.3954 7.6696 7.6702 9.4478 9.4482 10.5272 10.5272 10.7354 10.7355 17.9084 17.9089 18.0960 18.0978 19.3552 19.3601 20.2031 20.2033 k = 0.1849 0.1837 0.4993 ( 1542 PWs) bands (ev): -8.3808 -8.3808 -5.3204 -5.3202 -4.4731 -4.4729 0.5001 0.5023 0.7294 0.7298 2.0596 2.0602 3.1318 3.1352 3.2601 3.2602 6.3007 6.3021 6.6389 6.6394 6.8790 6.8799 7.4294 7.4296 7.7813 7.7819 9.4672 9.4676 10.5516 10.5516 10.7671 10.7672 17.9916 17.9925 18.2009 18.2033 19.3144 19.3192 20.1313 20.1314 k = 0.1929 0.1917 0.4993 ( 1540 PWs) bands (ev): -8.3353 -8.3352 -5.3785 -5.3783 -4.4308 -4.4306 0.4752 0.4772 0.6623 0.6627 1.9881 1.9887 3.0924 3.0926 3.2198 3.2231 6.3918 6.3931 6.5246 6.5248 6.9682 6.9688 7.4654 7.4656 7.8973 7.8981 9.4860 9.4864 10.5767 10.5767 10.8040 10.8042 18.0670 18.0682 18.3108 18.3136 19.2758 19.2805 20.0586 20.0587 k = 0.2010 0.1997 0.4993 ( 1540 PWs) bands (ev): -8.2881 -8.2880 -5.4362 -5.4360 -4.3870 -4.3868 0.4459 0.4478 0.5956 0.5960 1.9182 1.9187 2.9245 2.9247 3.3160 3.3191 6.4006 6.4007 6.4806 6.4818 7.0602 7.0606 7.5033 7.5035 8.0158 8.0166 9.5046 9.5050 10.6023 10.6023 10.8458 10.8459 18.1364 18.1378 18.4232 18.4262 19.2393 19.2440 19.9852 19.9853 k = 0.2090 0.2076 0.4993 ( 1544 PWs) bands (ev): -8.2392 -8.2391 -5.4933 -5.4931 -4.3417 -4.3415 0.4129 0.4147 0.5294 0.5298 1.8499 1.8504 2.7567 2.7569 3.4194 3.4224 6.2710 6.2712 6.5667 6.5679 7.1522 7.1526 7.5431 7.5434 8.1356 8.1364 9.5233 9.5237 10.6284 10.6285 10.8920 10.8921 18.2012 18.2026 18.5359 18.5391 19.2050 19.2097 19.9109 19.9110 k = 0.2171 0.2156 0.4993 ( 1542 PWs) bands (ev): -8.1887 -8.1886 -5.5497 -5.5495 -4.2950 -4.2948 0.3769 0.3786 0.4638 0.4641 1.7832 1.7837 2.5893 2.5896 3.5294 3.5323 6.1374 6.1376 6.6500 6.6512 7.2434 7.2438 7.5848 7.5852 8.2560 8.2567 9.5426 9.5429 10.6550 10.6550 10.9423 10.9423 18.2620 18.2634 18.6477 18.6509 19.1730 19.1777 19.8360 19.8361 k = 0.2251 0.2236 0.4993 ( 1548 PWs) bands (ev): -8.1367 -8.1366 -5.6053 -5.6052 -4.2470 -4.2467 0.3386 0.3402 0.3986 0.3990 1.7182 1.7186 2.4228 2.4231 3.6450 3.6478 6.0008 6.0010 6.7303 6.7314 7.3333 7.3336 7.6286 7.6290 8.3763 8.3770 9.5625 9.5629 10.6820 10.6820 10.9962 10.9963 18.3192 18.3207 18.7574 18.7607 19.1432 19.1478 19.7603 19.7605 k = 0.2331 0.2316 0.4993 ( 1543 PWs) bands (ev): -8.0831 -8.0830 -5.6600 -5.6599 -4.1976 -4.1973 0.2984 0.2999 0.3342 0.3346 1.6548 1.6553 2.2573 2.2577 3.7657 3.7684 5.8619 5.8621 6.8075 6.8085 7.4215 7.4218 7.6744 7.6748 8.4960 8.4967 9.5836 9.5839 10.7092 10.7093 11.0536 11.0536 18.3731 18.3745 18.8644 18.8678 19.1155 19.1202 19.6841 19.6842 k = 0.2412 0.2396 0.4993 ( 1543 PWs) bands (ev): -8.0281 -8.0280 -5.7138 -5.7136 -4.1469 -4.1467 0.2568 0.2583 0.2705 0.2709 1.5930 1.5935 2.0935 2.0939 3.8907 3.8932 5.7212 5.7215 6.8813 6.8823 7.5077 7.5080 7.7220 7.7225 8.6145 8.6152 9.6060 9.6062 10.7368 10.7368 11.1142 11.1142 18.4235 18.4249 18.9679 18.9713 19.0896 19.0942 19.6073 19.6075 k = 0.2492 0.2476 0.4993 ( 1538 PWs) bands (ev): -7.9717 -7.9716 -5.7665 -5.7663 -4.0951 -4.0949 0.2073 0.2073 0.2148 0.2158 1.5326 1.5331 1.9317 1.9322 4.0194 4.0218 5.5794 5.5797 6.9518 6.9526 7.5917 7.5920 7.7715 7.7721 8.7313 8.7320 9.6301 9.6303 10.7644 10.7645 11.1778 11.1778 18.4704 18.4717 19.0651 19.0672 19.0701 19.0711 19.5302 19.5305 k = 0.2573 0.2556 0.4993 ( 1537 PWs) bands (ev): -7.9139 -7.9138 -5.8180 -5.8179 -4.0422 -4.0419 0.1447 0.1449 0.1716 0.1727 1.4730 1.4735 1.7729 1.7735 4.1513 4.1536 5.4368 5.4371 7.0188 7.0196 7.6733 7.6736 7.8227 7.8233 8.8456 8.8463 9.6564 9.6565 10.7922 10.7922 11.2441 11.2442 18.5136 18.5149 19.0417 19.0462 19.1625 19.1660 19.4534 19.4538 k = 0.2653 0.2635 0.4993 ( 1537 PWs) bands (ev): -7.8549 -7.8548 -5.8683 -5.8682 -3.9882 -3.9879 0.0827 0.0829 0.1283 0.1295 1.4126 1.4132 1.6191 1.6197 4.2858 4.2880 5.2938 5.2942 7.0823 7.0831 7.7523 7.7526 7.8753 7.8759 8.9568 8.9575 9.6852 9.6854 10.8200 10.8200 11.3131 11.3132 18.5529 18.5541 19.0179 19.0224 19.2524 19.2560 19.3777 19.3781 k = 0.2733 0.2715 0.4993 ( 1537 PWs) bands (ev): -7.7948 -7.7947 -5.9174 -5.9173 -3.9333 -3.9330 0.0212 0.0214 0.0852 0.0862 1.3455 1.3462 1.4765 1.4773 4.4225 4.4247 5.1509 5.1513 7.1426 7.1432 7.8286 7.8288 7.9292 7.9298 9.0637 9.0644 9.7175 9.7176 10.8477 10.8477 11.3846 11.3847 18.5880 18.5892 18.9919 18.9963 19.3047 19.3053 19.3370 19.3405 k = 0.2814 0.2795 0.4993 ( 1536 PWs) bands (ev): -7.7335 -7.7334 -5.9652 -5.9650 -3.8775 -3.8772 -0.0401 -0.0399 0.0423 0.0433 1.2512 1.2516 1.3664 1.3670 4.5609 4.5630 5.0084 5.0088 7.1996 7.2002 7.9021 7.9022 7.9840 7.9847 9.1651 9.1658 9.7542 9.7542 10.8752 10.8753 11.4584 11.4585 18.6186 18.6198 18.9605 18.9647 19.2380 19.2384 19.4153 19.4187 k = 0.2894 0.2875 0.4993 ( 1538 PWs) bands (ev): -7.6712 -7.6711 -6.0115 -6.0114 -3.8211 -3.8207 -0.1012 -0.1010 -0.0001 0.0008 1.1222 1.1223 1.2965 1.2968 4.7007 4.7026 4.8666 4.8670 7.2536 7.2541 7.9725 7.9727 8.0394 8.0401 9.2596 9.2603 9.7962 9.7963 10.9025 10.9026 11.5343 11.5345 18.6445 18.6456 18.9191 18.9228 19.1816 19.1817 19.4867 19.4901 k = 0.2975 0.2955 0.4993 ( 1538 PWs) bands (ev): -7.6081 -7.6080 -6.0565 -6.0564 -3.7639 -3.7636 -0.1624 -0.1622 -0.0418 -0.0410 0.9827 0.9829 1.2427 1.2428 4.7258 4.7262 4.8413 4.8432 7.3046 7.3051 8.0400 8.0401 8.0951 8.0959 9.3457 9.3464 9.8449 9.8450 10.9296 10.9296 11.6123 11.6125 18.6654 18.6664 18.8636 18.8667 19.1390 19.1394 19.5505 19.5537 k = 0.3055 0.3035 0.4993 ( 1542 PWs) bands (ev): -7.5442 -7.5441 -6.1000 -6.0999 -3.7063 -3.7059 -0.2239 -0.2237 -0.0827 -0.0819 0.8434 0.8437 1.1950 1.1950 4.5863 4.5867 4.9823 4.9842 7.3529 7.3533 8.1044 8.1045 8.1508 8.1516 9.4222 9.4228 9.9011 9.9012 10.9562 10.9562 11.6920 11.6923 18.6811 18.6821 18.7937 18.7960 19.1107 19.1117 19.6059 19.6088 k = 0.3135 0.3115 0.4993 ( 1538 PWs) bands (ev): -7.4797 -7.4795 -6.1419 -6.1418 -3.6483 -3.6479 -0.2861 -0.2859 -0.1226 -0.1219 0.7076 0.7079 1.1510 1.1510 4.4485 4.4489 5.1235 5.1252 7.3986 7.3990 8.1657 8.1658 8.2062 8.2069 9.4885 9.4890 9.9649 9.9650 10.9824 10.9824 11.7735 11.7738 18.6915 18.6923 18.7121 18.7139 19.0938 19.0951 19.6523 19.6548 k = 0.3216 0.3194 0.4993 ( 1538 PWs) bands (ev): -7.4146 -7.4145 -6.1824 -6.1823 -3.5901 -3.5897 -0.3493 -0.3492 -0.1614 -0.1607 0.5765 0.5769 1.1099 1.1099 4.3126 4.3131 5.2643 5.2659 7.4420 7.4423 8.2239 8.2239 8.2608 8.2616 9.5452 9.5457 10.0355 10.0356 11.0080 11.0080 11.8564 11.8567 18.6222 18.6234 18.6967 18.6977 19.0847 19.0863 19.6897 19.6916 k = 0.3296 0.3274 0.4993 ( 1538 PWs) bands (ev): -7.3492 -7.3491 -6.2212 -6.2211 -3.5318 -3.5314 -0.4142 -0.4141 -0.1991 -0.1984 0.4513 0.4518 1.0714 1.0715 4.1790 4.1794 5.4043 5.4059 7.4831 7.4833 8.2790 8.2790 8.3145 8.3153 9.5935 9.5940 10.1112 10.1113 11.0330 11.0330 11.9405 11.9408 18.5264 18.5273 18.6968 18.6977 19.0812 19.0829 19.7190 19.7203 k = 0.3377 0.3354 0.4993 ( 1538 PWs) bands (ev): -7.2837 -7.2836 -6.2585 -6.2584 -3.4737 -3.4732 -0.4812 -0.4810 -0.2354 -0.2348 0.3330 0.3334 1.0354 1.0355 4.0478 4.0482 5.5431 5.5446 7.5220 7.5222 8.3310 8.3310 8.3670 8.3677 9.6352 9.6356 10.1900 10.1902 11.0573 11.0573 12.0255 12.0259 18.4264 18.4269 18.6922 18.6930 19.0816 19.0835 19.7416 19.7424 k = 0.3457 0.3434 0.4993 ( 1538 PWs) bands (ev): -7.2181 -7.2180 -6.2940 -6.2940 -3.4158 -3.4154 -0.5507 -0.5505 -0.2703 -0.2698 0.2223 0.2227 1.0018 1.0019 3.9194 3.9198 5.6804 5.6819 7.5589 7.5591 8.3799 8.3799 8.4180 8.4187 9.6717 9.6720 10.2702 10.2703 11.0809 11.0809 12.1112 12.1116 18.3231 18.3234 18.6832 18.6840 19.0851 19.0870 19.7597 19.7600 k = 0.3537 0.3514 0.4993 ( 1542 PWs) bands (ev): -7.1528 -7.1527 -6.3280 -6.3279 -3.3585 -3.3580 -0.6232 -0.6230 -0.3038 -0.3033 0.1199 0.1203 0.9706 0.9706 3.7940 3.7945 5.8155 5.8169 7.5939 7.5940 8.4258 8.4258 8.4673 8.4680 9.7041 9.7044 10.3502 10.3503 11.1036 11.1036 12.1972 12.1976 18.2176 18.2177 18.6705 18.6712 19.0911 19.0929 19.7748 19.7748 k = 0.3618 0.3594 0.4993 ( 1542 PWs) bands (ev): -7.0880 -7.0879 -6.3602 -6.3601 -3.3020 -3.3014 -0.6986 -0.6984 -0.3358 -0.3353 0.0263 0.0268 0.9417 0.9418 3.6721 3.6725 5.9481 5.9494 7.6270 7.6271 8.4688 8.4688 8.5147 8.5154 9.7334 9.7337 10.4288 10.4289 11.1255 11.1255 12.2831 12.2835 18.1106 18.1107 18.6546 18.6553 19.0989 19.1007 19.7879 19.7881 k = 0.3698 0.3674 0.4993 ( 1542 PWs) bands (ev): -7.0238 -7.0237 -6.3907 -6.3906 -3.2464 -3.2458 -0.7769 -0.7767 -0.3663 -0.3658 -0.0582 -0.0577 0.9152 0.9152 3.5539 3.5543 6.0776 6.0789 7.6582 7.6583 8.5088 8.5088 8.5601 8.5608 9.7602 9.7604 10.5051 10.5052 11.1464 11.1464 12.3686 12.3690 18.0030 18.0031 18.6363 18.6369 19.1083 19.1101 19.7999 19.8004 k = 0.3779 0.3754 0.4993 ( 1544 PWs) bands (ev): -6.9607 -6.9605 -6.4195 -6.4194 -3.1920 -3.1915 -0.8575 -0.8572 -0.3951 -0.3947 -0.1340 -0.1335 0.8909 0.8909 3.4397 3.4401 6.2036 6.2048 7.6876 7.6876 8.5460 8.5460 8.6034 8.6040 9.7850 9.7851 10.5784 10.5786 11.1663 11.1663 12.4531 12.4536 17.8955 17.8958 18.6160 18.6167 19.1189 19.1205 19.8113 19.8119 k = 0.3859 0.3833 0.4993 ( 1546 PWs) bands (ev): -6.8988 -6.8987 -6.4465 -6.4465 -3.1393 -3.1387 -0.9394 -0.9391 -0.4222 -0.4218 -0.2014 -0.2010 0.8689 0.8689 3.3299 3.3303 6.3256 6.3266 7.7152 7.7152 8.5804 8.5804 8.6442 8.6448 9.8079 9.8080 10.6483 10.6485 11.1851 11.1851 12.5363 12.5367 17.7892 17.7896 18.5946 18.5951 19.1303 19.1319 19.8221 19.8228 k = 0.3939 0.3913 0.4993 ( 1546 PWs) bands (ev): -6.8385 -6.8384 -6.4718 -6.4717 -3.0883 -3.0877 -1.0216 -1.0212 -0.4477 -0.4473 -0.2613 -0.2609 0.8491 0.8491 3.2248 3.2252 6.4429 6.4438 7.7410 7.7410 8.6120 8.6120 8.6828 8.6833 9.8292 9.8293 10.7143 10.7145 11.2029 11.2029 12.6175 12.6179 17.6848 17.6853 18.5724 18.5730 19.1424 19.1438 19.8322 19.8329 k = 0.4020 0.3993 0.4993 ( 1546 PWs) bands (ev): -6.7801 -6.7800 -6.4953 -6.4952 -3.0396 -3.0389 -1.1028 -1.1024 -0.4714 -0.4711 -0.3142 -0.3139 0.8315 0.8315 3.1249 3.1252 6.5550 6.5559 7.7651 7.7651 8.6410 8.6410 8.7187 8.7192 9.8490 9.8491 10.7762 10.7764 11.2195 11.2195 12.6962 12.6966 17.5833 17.5838 18.5501 18.5506 19.1547 19.1561 19.8125 19.8137 k = 0.4100 0.4073 0.4993 ( 1548 PWs) bands (ev): -6.7241 -6.7240 -6.5169 -6.5169 -2.9933 -2.9926 -1.1818 -1.1814 -0.4934 -0.4931 -0.3610 -0.3607 0.8159 0.8159 3.0304 3.0307 6.6613 6.6621 7.7873 7.7873 8.6673 8.6673 8.7522 8.7526 9.8673 9.8674 10.8337 10.8339 11.2349 11.2349 12.7718 12.7722 17.4855 17.4860 18.5280 18.5285 19.1672 19.1684 19.7686 19.7696 k = 0.4180 0.4153 0.4993 ( 1544 PWs) bands (ev): -6.6708 -6.6707 -6.5368 -6.5367 -2.9499 -2.9492 -1.2575 -1.2570 -0.5135 -0.5133 -0.4024 -0.4021 0.8023 0.8023 2.9418 2.9422 6.7614 6.7621 7.8077 7.8078 8.6911 8.6911 8.7830 8.7834 9.8842 9.8842 10.8867 10.8868 11.2491 11.2491 12.8438 12.8442 17.3923 17.3929 18.5067 18.5071 19.1796 19.1807 19.7287 19.7296 k = 0.4261 0.4233 0.4993 ( 1544 PWs) bands (ev): -6.6206 -6.6205 -6.5548 -6.5548 -2.9096 -2.9090 -1.3289 -1.3284 -0.5319 -0.5316 -0.4387 -0.4385 0.7906 0.7906 2.8596 2.8600 6.8544 6.8551 7.8263 7.8263 8.7124 8.7124 8.8111 8.8114 9.8997 9.8997 10.9350 10.9351 11.2620 11.2621 12.9114 12.9118 17.3046 17.3052 18.4864 18.4868 19.1915 19.1925 19.6929 19.6936 k = 0.4341 0.4313 0.4993 ( 1547 PWs) bands (ev): -6.5739 -6.5738 -6.5710 -6.5710 -2.8729 -2.8723 -1.3949 -1.3944 -0.5484 -0.5482 -0.4706 -0.4704 0.7806 0.7806 2.7842 2.7845 6.9399 6.9405 7.8430 7.8431 8.7312 8.7313 8.8363 8.8367 9.9138 9.9138 10.9784 10.9786 11.2737 11.2738 12.9741 12.9745 17.2232 17.2237 18.4674 18.4678 19.2027 19.2036 19.6610 19.6617 k = 0.4422 0.4392 0.4993 ( 1547 PWs) bands (ev): -6.5854 -6.5853 -6.5313 -6.5312 -2.8400 -2.8394 -1.4548 -1.4543 -0.5630 -0.5629 -0.4982 -0.4980 0.7722 0.7722 2.7161 2.7164 7.0173 7.0178 7.8578 7.8579 8.7477 8.7477 8.8588 8.8591 9.9264 9.9264 11.0171 11.0172 11.2841 11.2841 13.0314 13.0317 17.1490 17.1495 18.4502 18.4505 19.2134 19.2141 19.6331 19.6336 k = 0.4502 0.4472 0.4993 ( 1554 PWs) bands (ev): -6.5979 -6.5979 -6.4930 -6.4930 -2.8112 -2.8106 -1.5078 -1.5073 -0.5758 -0.5757 -0.5218 -0.5217 0.7651 0.7651 2.6556 2.6559 7.0860 7.0864 7.8708 7.8709 8.7617 8.7618 8.8784 8.8787 9.9376 9.9376 11.0507 11.0508 11.2932 11.2932 13.0825 13.0828 17.0826 17.0831 18.4347 18.4350 19.2229 19.2236 19.6089 19.6093 k = 0.4582 0.4552 0.4993 ( 1560 PWs) bands (ev): -6.6085 -6.6085 -6.4596 -6.4595 -2.7868 -2.7863 -1.5534 -1.5530 -0.5867 -0.5866 -0.5417 -0.5415 0.7593 0.7594 2.6034 2.6036 7.1453 7.1456 7.8818 7.8819 8.7735 8.7735 8.8952 8.8954 9.9473 9.9473 11.0794 11.0795 11.3009 11.3009 13.1270 13.1272 17.0248 17.0251 18.4213 18.4216 19.2314 19.2319 19.5885 19.5888 k = 0.4663 0.4632 0.4993 ( 1568 PWs) bands (ev): -6.6173 -6.6173 -6.4314 -6.4314 -2.7668 -2.7663 -1.5912 -1.5908 -0.5957 -0.5956 -0.5578 -0.5577 0.7546 0.7546 2.5596 2.5598 7.1950 7.1953 7.8908 7.8909 8.7830 8.7830 8.9091 8.9093 9.9555 9.9555 11.1032 11.1033 11.3073 11.3073 13.1644 13.1646 16.9762 16.9765 18.4102 18.4104 19.2385 19.2389 19.5718 19.5720 k = 0.4743 0.4712 0.4993 ( 1568 PWs) bands (ev): -6.6242 -6.6242 -6.4088 -6.4087 -2.7514 -2.7510 -1.6207 -1.6204 -0.6028 -0.6027 -0.5703 -0.5702 0.7507 0.7508 2.5249 2.5250 7.2346 7.2348 7.8980 7.8981 8.7902 8.7902 8.9201 8.9202 9.9623 9.9623 11.1219 11.1220 11.3123 11.3123 13.1942 13.1944 16.9374 16.9376 18.4015 18.4016 19.2443 19.2446 19.5587 19.5588 k = 0.4824 0.4792 0.4993 ( 1568 PWs) bands (ev): -6.6293 -6.6293 -6.3920 -6.3920 -2.7405 -2.7403 -1.6418 -1.6416 -0.6080 -0.6079 -0.5792 -0.5792 0.7476 0.7476 2.4994 2.4995 7.2638 7.2640 7.9032 7.9033 8.7952 8.7952 8.9282 8.9283 9.9676 9.9676 11.1357 11.1357 11.3160 11.3160 13.2161 13.2162 16.9088 16.9089 18.3952 18.3953 19.2486 19.2488 19.5491 19.5492 k = 0.4904 0.4872 0.4993 ( 1568 PWs) bands (ev): -6.6325 -6.6325 -6.3814 -6.3813 -2.7343 -2.7341 -1.6544 -1.6543 -0.6112 -0.6112 -0.5846 -0.5846 0.7452 0.7452 2.4834 2.4834 7.2823 7.2824 7.9064 7.9065 8.7980 8.7980 8.9333 8.9334 9.9714 9.9714 11.1444 11.1444 11.3183 11.3183 13.2299 13.2299 16.8907 16.8908 18.3914 18.3914 19.2515 19.2515 19.5431 19.5432 k = 0.4984 0.4951 0.4993 ( 1568 PWs) bands (ev): -6.6338 -6.6338 -6.3769 -6.3769 -2.7324 -2.7324 -1.6584 -1.6584 -0.6125 -0.6125 -0.5865 -0.5864 0.7433 0.7433 2.4771 2.4771 7.2900 7.2900 7.9077 7.9077 8.7985 8.7985 8.9355 8.9356 9.9736 9.9736 11.1480 11.1481 11.3193 11.3193 13.2353 13.2353 16.8833 16.8833 18.3902 18.3902 19.2527 19.2527 19.5407 19.5407 k = 0.5000 0.4967-0.0031 ( 1544 PWs) bands (ev): -7.1470 -7.1470 -6.8863 -6.8863 -4.0059 -4.0059 -1.9583 -1.9583 2.6673 2.6673 3.2484 3.2484 3.6972 3.6972 4.4455 4.4455 4.7000 4.7000 5.6370 5.6370 6.3176 6.3176 7.1544 7.1544 7.6621 7.6621 8.0758 8.0758 10.9691 10.9691 12.4875 12.4875 17.6577 17.6577 19.3704 19.3704 20.2231 20.2231 20.6517 20.6517 k = 0.5033 0.4934-0.0031 ( 1544 PWs) bands (ev): -7.1480 -7.1480 -6.8857 -6.8857 -4.0056 -4.0056 -1.9577 -1.9577 2.6656 2.6657 3.2495 3.2496 3.6965 3.6966 4.4457 4.4458 4.7004 4.7004 5.6373 5.6373 6.3181 6.3182 7.1542 7.1542 7.6626 7.6627 8.0751 8.0752 10.9682 10.9682 12.4877 12.4877 17.6573 17.6574 19.3712 19.3713 20.2225 20.2225 20.6523 20.6525 k = 0.4967-0.5000 0.0000 ( 1544 PWs) bands (ev): -7.1480 -7.1480 -6.8857 -6.8857 -4.0056 -4.0056 -1.9577 -1.9577 2.6656 2.6657 3.2495 3.2496 3.6965 3.6966 4.4457 4.4458 4.7004 4.7004 5.6373 5.6373 6.3181 6.3182 7.1542 7.1542 7.6626 7.6627 8.0751 8.0752 10.9682 10.9682 12.4877 12.4877 17.6573 17.6574 19.3712 19.3713 20.2225 20.2225 20.6523 20.6525 k = 0.4887-0.4920 0.0000 ( 1544 PWs) bands (ev): -7.1577 -7.1577 -6.8796 -6.8796 -4.0021 -4.0020 -1.9520 -1.9519 2.6488 2.6490 3.2622 3.2624 3.6897 3.6901 4.4478 4.4482 4.7043 4.7045 5.6405 5.6406 6.3239 6.3240 7.1513 7.1514 7.6681 7.6683 8.0678 8.0681 10.9583 10.9583 12.4899 12.4899 17.6537 17.6539 19.3800 19.3804 20.2162 20.2162 20.6593 20.6598 k = 0.4807-0.4839 0.0000 ( 1552 PWs) bands (ev): -7.1770 -7.1769 -6.8679 -6.8679 -3.9946 -3.9946 -1.9399 -1.9399 2.6158 2.6163 3.2864 3.2867 3.6759 3.6766 4.4524 4.4530 4.7123 4.7126 5.6471 5.6473 6.3359 6.3362 7.1455 7.1456 7.6795 7.6798 8.0527 8.0533 10.9375 10.9376 12.4945 12.4945 17.6462 17.6464 19.3984 19.3990 20.2034 20.2034 20.6728 20.6737 k = 0.4727-0.4758 0.0000 ( 1560 PWs) bands (ev): -7.2040 -7.2040 -6.8522 -6.8522 -3.9835 -3.9834 -1.9216 -1.9215 2.5703 2.5708 3.3189 3.3192 3.6556 3.6565 4.4591 4.4600 4.7242 4.7246 5.6571 5.6573 6.3542 6.3547 7.1369 7.1370 7.6961 7.6965 8.0304 8.0313 10.9061 10.9064 12.5015 12.5015 17.6349 17.6352 19.4262 19.4272 20.1843 20.1843 20.6880 20.6895 k = 0.4647-0.4678 0.0000 ( 1560 PWs) bands (ev): -7.2372 -7.2372 -6.8339 -6.8338 -3.9687 -3.9687 -1.8971 -1.8970 2.5155 2.5162 3.3562 3.3567 3.6297 3.6308 4.4679 4.4690 4.7396 4.7401 5.6702 5.6705 6.3789 6.3795 7.1257 7.1258 7.7167 7.7174 8.0023 8.0036 10.8646 10.8648 12.5108 12.5108 17.6199 17.6202 19.4631 19.4643 20.1595 20.1596 20.6881 20.6903 k = 0.4567-0.4597 0.0000 ( 1560 PWs) bands (ev): -7.2755 -7.2755 -6.8138 -6.8137 -3.9505 -3.9504 -1.8666 -1.8665 2.4541 2.4549 3.3960 3.3965 3.5991 3.6004 4.4785 4.4796 4.7579 4.7584 5.6863 5.6867 6.4099 6.4106 7.1122 7.1123 7.7385 7.7396 7.9710 7.9727 10.8132 10.8135 12.5223 12.5224 17.6013 17.6018 19.5084 19.5100 20.1296 20.1296 20.6496 20.6522 k = 0.4486-0.4516 0.0000 ( 1562 PWs) bands (ev): -7.3180 -7.3180 -6.7925 -6.7924 -3.9291 -3.9290 -1.8302 -1.8301 2.3879 2.3887 3.4359 3.4365 3.5650 3.5663 4.4906 4.4917 4.7788 4.7793 5.7050 5.7054 6.4471 6.4479 7.0966 7.0968 7.7553 7.7569 7.9430 7.9454 10.7525 10.7529 12.5360 12.5361 17.5792 17.5798 19.5616 19.5634 20.0949 20.0949 20.5834 20.5859 k = 0.4406-0.4436 0.0000 ( 1560 PWs) bands (ev): -7.3642 -7.3641 -6.7703 -6.7702 -3.9047 -3.9046 -1.7882 -1.7881 2.3184 2.3192 3.4725 3.4735 3.5307 3.5318 4.5039 4.5050 4.8016 4.8021 5.7260 5.7265 6.4903 6.4913 7.0791 7.0794 7.7535 7.7553 7.9324 7.9352 10.6831 10.6836 12.5517 12.5518 17.5540 17.5546 19.6216 19.6239 20.0559 20.0559 20.5028 20.5051 k = 0.4326-0.4355 0.0000 ( 1560 PWs) bands (ev): -7.4135 -7.4134 -6.7472 -6.7471 -3.8776 -3.8775 -1.7409 -1.7407 2.2464 2.2472 3.4747 3.4766 3.5273 3.5278 4.5182 4.5194 4.8260 4.8265 5.7490 5.7495 6.5394 6.5405 7.0600 7.0603 7.7234 7.7248 7.9499 7.9523 10.6057 10.6062 12.5694 12.5695 17.5256 17.5263 19.6876 19.6902 20.0129 20.0130 20.4128 20.4148 k = 0.4246-0.4274 0.0000 ( 1558 PWs) bands (ev): -7.4655 -7.4655 -6.7232 -6.7231 -3.8479 -3.8478 -1.6884 -1.6883 2.1726 2.1735 3.4370 3.4390 3.5608 3.5611 4.5335 4.5346 4.8515 4.8520 5.7735 5.7741 6.5940 6.5953 7.0393 7.0398 7.6719 7.6728 7.9882 7.9902 10.5210 10.5215 12.5889 12.5890 17.4944 17.4952 19.7582 19.7612 19.9664 19.9664 20.3159 20.3175 k = 0.4166-0.4194 0.0000 ( 1560 PWs) bands (ev): -7.5200 -7.5200 -6.6984 -6.6983 -3.8160 -3.8159 -1.6312 -1.6310 2.0977 2.0987 3.3944 3.3964 3.5963 3.5968 4.5494 4.5504 4.8778 4.8783 5.7993 5.8000 6.6534 6.6549 7.0175 7.0182 7.6087 7.6092 8.0383 8.0400 10.4297 10.4303 12.6101 12.6102 17.4606 17.4614 19.8312 19.8349 19.9167 19.9169 20.2143 20.2152 k = 0.4086-0.4113 0.0000 ( 1556 PWs) bands (ev): -7.5767 -7.5766 -6.6727 -6.6726 -3.7819 -3.7818 -1.5695 -1.5694 2.0220 2.0230 3.3506 3.3526 3.6308 3.6313 4.5658 4.5668 4.9046 4.9051 5.8260 5.8266 6.7166 6.7185 6.9949 6.9959 7.5391 7.5393 8.0958 8.0973 10.3327 10.3334 12.6329 12.6330 17.4243 17.4251 19.8627 19.8636 19.9032 19.9086 20.1118 20.1124 k = 0.4006-0.4032 0.0000 ( 1554 PWs) bands (ev): -7.6352 -7.6351 -6.6460 -6.6459 -3.7459 -3.7458 -1.5039 -1.5038 1.9460 1.9470 3.3067 3.3087 3.6638 3.6643 4.5826 4.5836 4.9317 4.9321 5.8531 5.8538 6.7807 6.7834 6.9722 6.9740 7.4671 7.4672 8.1586 8.1600 10.2309 10.2317 12.6572 12.6573 17.3857 17.3867 19.8080 19.8084 19.9371 19.9450 20.0413 20.0443 k = 0.3926-0.3952 0.0000 ( 1556 PWs) bands (ev): -7.6952 -7.6952 -6.6182 -6.6181 -3.7081 -3.7080 -1.4347 -1.4346 1.8698 1.8708 3.2632 3.2652 3.6950 3.6956 4.5996 4.6006 4.9586 4.9590 5.8802 5.8809 6.8390 6.8433 6.9530 6.9563 7.3970 7.3973 8.2253 8.2267 10.1254 10.1262 12.6827 12.6829 17.3452 17.3461 19.7500 19.7504 19.8562 19.8605 20.0876 20.0884 k = 0.3846-0.3871 0.0000 ( 1554 PWs) bands (ev): -7.7566 -7.7565 -6.5893 -6.5892 -3.6687 -3.6686 -1.3625 -1.3623 1.7937 1.7947 3.2209 3.2229 3.7247 3.7253 4.6167 4.6177 4.9852 4.9857 5.9071 5.9078 6.8699 6.8757 6.9521 6.9569 7.3376 7.3381 8.2950 8.2963 10.0172 10.0181 12.7095 12.7097 17.3028 17.3038 19.6877 19.6885 19.7458 19.7487 20.1575 20.1595 k = 0.3765-0.3790 0.0000 ( 1552 PWs) bands (ev): -7.8190 -7.8189 -6.5593 -6.5592 -3.6277 -3.6276 -1.2876 -1.2874 1.7179 1.7190 3.1802 3.1822 3.7526 3.7534 4.6338 4.6347 5.0112 5.0117 5.9332 5.9339 6.8596 6.8638 6.9706 6.9736 7.3058 7.3067 8.3665 8.3677 9.9080 9.9089 12.7374 12.7375 17.2589 17.2599 19.6062 19.6082 19.6466 19.6480 20.2267 20.2293 k = 0.3685-0.3710 0.0000 ( 1554 PWs) bands (ev): -7.8823 -7.8822 -6.5281 -6.5280 -3.5853 -3.5852 -1.2108 -1.2106 1.6426 1.6437 3.1416 3.1436 3.7791 3.7799 4.6508 4.6517 5.0362 5.0368 5.9581 5.9589 6.8307 6.8341 6.9630 6.9651 7.3215 7.3226 8.4381 8.4393 9.7995 9.8004 12.7662 12.7664 17.2134 17.2145 19.4910 19.4932 19.5770 19.5775 20.2907 20.2937 k = 0.3605-0.3629 0.0000 ( 1558 PWs) bands (ev): -7.9461 -7.9460 -6.4956 -6.4955 -3.5415 -3.5413 -1.1325 -1.1323 1.5680 1.5691 3.1056 3.1076 3.8039 3.8049 4.6675 4.6684 5.0598 5.0605 5.9813 5.9821 6.7912 6.7943 6.9265 6.9283 7.3810 7.3821 8.5076 8.5088 9.6943 9.6953 12.7958 12.7960 17.1668 17.1679 19.3670 19.3690 19.5127 19.5130 20.3469 20.3502 k = 0.3525-0.3548 0.0000 ( 1556 PWs) bands (ev): -8.0103 -8.0103 -6.4619 -6.4618 -3.4963 -3.4961 -1.0533 -1.0531 1.4941 1.4952 3.0728 3.0748 3.8273 3.8283 4.6839 4.6848 5.0816 5.0824 6.0021 6.0029 6.7400 6.7428 6.8827 6.8843 7.4658 7.4668 8.5715 8.5727 9.5966 9.5976 12.8262 12.8263 17.1191 17.1203 19.2403 19.2421 19.4487 19.4490 20.3933 20.3969 k = 0.3445-0.3468 0.0000 ( 1558 PWs) bands (ev): -8.0748 -8.0747 -6.4270 -6.4269 -3.4498 -3.4496 -0.9740 -0.9738 1.4212 1.4223 3.0436 3.0456 3.8491 3.8503 4.6997 4.7007 5.1009 5.1019 6.0197 6.0205 6.6776 6.6800 6.8442 6.8455 7.5639 7.5649 8.6244 8.6256 9.5123 9.5133 12.8571 12.8573 17.0706 17.0718 19.1118 19.1135 19.3846 19.3848 20.4272 20.4311 k = 0.3365-0.3387 0.0000 ( 1554 PWs) bands (ev): -8.1393 -8.1392 -6.3907 -6.3906 -3.4020 -3.4018 -0.8952 -0.8950 1.3492 1.3503 3.0186 3.0206 3.8694 3.8707 4.7151 4.7161 5.1171 5.1183 6.0331 6.0338 6.6095 6.6117 6.8129 6.8140 7.6700 7.6710 8.6583 8.6593 9.4501 9.4510 12.8885 12.8887 17.0213 17.0225 18.9821 18.9837 19.3202 19.3205 20.4412 20.4457 k = 0.3285-0.3307 0.0000 ( 1550 PWs) bands (ev): -8.2036 -8.2035 -6.3532 -6.3531 -3.3530 -3.3528 -0.8176 -0.8174 1.2783 1.2794 2.9984 3.0004 3.8879 3.8893 4.7297 4.7307 5.1292 5.1306 6.0408 6.0415 6.5422 6.5440 6.7871 6.7881 7.7809 7.7819 8.6645 8.6653 9.4196 9.4203 12.9203 12.9205 16.9715 16.9727 18.8516 18.8530 19.2558 19.2561 20.4072 20.4102 k = 0.3205-0.3226 0.0000 ( 1556 PWs) bands (ev): -8.2676 -8.2676 -6.3145 -6.3143 -3.3027 -3.3026 -0.7419 -0.7418 1.2086 1.2097 2.9834 2.9854 3.9045 3.9061 4.7434 4.7445 5.1361 5.1379 6.0416 6.0422 6.4806 6.4822 6.7658 6.7667 7.8942 7.8952 8.6396 8.6401 9.4259 9.4264 12.9523 12.9525 16.9212 16.9225 18.7202 18.7215 19.1915 19.1917 20.3254 20.3268 k = 0.3124-0.3145 0.0000 ( 1554 PWs) bands (ev): -8.3313 -8.3312 -6.2744 -6.2743 -3.2513 -3.2511 -0.6689 -0.6687 1.1401 1.1412 2.9742 2.9762 3.9189 3.9208 4.7562 4.7573 5.1369 5.1390 6.0343 6.0349 6.4290 6.4304 6.7482 6.7491 8.0060 8.0073 8.5903 8.5909 9.4654 9.4658 12.9845 12.9847 16.8707 16.8719 18.5885 18.5897 19.1274 19.1276 20.2285 20.2293 k = 0.3044-0.3065 0.0000 ( 1554 PWs) bands (ev): -8.3943 -8.3942 -6.2332 -6.2330 -3.1986 -3.1984 -0.5992 -0.5991 1.0729 1.0740 2.9714 2.9733 3.9309 3.9330 4.7678 4.7690 5.1304 5.1329 6.0191 6.0197 6.3892 6.3905 6.7343 6.7352 8.1076 8.1092 8.5340 8.5351 9.5292 9.5296 13.0167 13.0169 16.8199 16.8212 18.4566 18.4578 19.0636 19.0638 20.1250 20.1257 k = 0.2964-0.2984 0.0000 ( 1554 PWs) bands (ev): -8.4567 -8.4566 -6.1907 -6.1905 -3.1448 -3.1446 -0.5336 -0.5334 1.0070 1.0081 2.9753 2.9771 3.9400 3.9422 4.7780 4.7792 5.1157 5.1187 5.9982 5.9988 6.3609 6.3622 6.7237 6.7246 8.1741 8.1762 8.5042 8.5059 9.6093 9.6099 13.0489 13.0491 16.7691 16.7704 18.3247 18.3257 19.0002 19.0005 20.0175 20.0181 k = 0.2884-0.2903 0.0000 ( 1554 PWs) bands (ev): -8.5182 -8.5182 -6.1470 -6.1469 -3.0898 -3.0896 -0.4726 -0.4724 0.9425 0.9436 2.9863 2.9882 3.9455 3.9480 4.7866 4.7879 5.0928 5.0963 5.9748 5.9755 6.3422 6.3435 6.7161 6.7172 8.1687 8.1706 8.5441 8.5458 9.7002 9.7009 13.0810 13.0813 16.7183 16.7197 18.1929 18.1939 18.9375 18.9377 19.9071 19.9076 k = 0.2804-0.2823 0.0000 ( 1554 PWs) bands (ev): -8.5789 -8.5789 -6.1022 -6.1021 -3.0336 -3.0334 -0.4169 -0.4167 0.8794 0.8805 3.0049 3.0067 3.9468 3.9495 4.7934 4.7947 5.0622 5.0661 5.9521 5.9528 6.3306 6.3319 6.7111 6.7122 8.1072 8.1086 8.6419 8.6431 9.7983 9.7991 13.1130 13.1132 16.6677 16.6690 18.0615 18.0623 18.8754 18.8757 19.7946 19.7951 k = 0.2724-0.2742 0.0000 ( 1560 PWs) bands (ev): -8.6386 -8.6386 -6.0563 -6.0562 -2.9764 -2.9762 -0.3670 -0.3667 0.8177 0.8188 3.0312 3.0329 3.9430 3.9460 4.7981 4.7994 5.0254 5.0298 5.9319 5.9327 6.3241 6.3255 6.7076 6.7089 8.0256 8.0267 8.7637 8.7647 9.9013 9.9023 13.1447 13.1449 16.6172 16.6186 17.9304 17.9312 18.8140 18.8143 19.6806 19.6811 k = 0.2644-0.2661 0.0000 ( 1560 PWs) bands (ev): -8.6973 -8.6972 -6.0093 -6.0092 -2.9180 -2.9178 -0.3231 -0.3229 0.7574 0.7586 3.0653 3.0670 3.9332 3.9364 4.8004 4.8016 4.9849 4.9897 5.9148 5.9156 6.3219 6.3232 6.7049 6.7063 7.9402 7.9411 8.8956 8.8965 10.0079 10.0089 13.1761 13.1763 16.5671 16.5685 17.8001 17.8009 18.7535 18.7538 19.5658 19.5663 k = 0.2564-0.2581 0.0000 ( 1558 PWs) bands (ev): -8.7547 -8.7547 -5.9614 -5.9612 -2.8586 -2.8584 -0.2856 -0.2853 0.6985 0.6997 3.1071 3.1087 3.9164 3.9197 4.7997 4.8008 4.9436 4.9486 5.9001 5.9010 6.3232 6.3245 6.7018 6.7033 7.8577 7.8585 9.0330 9.0338 10.1170 10.1181 13.2072 13.2074 16.5174 16.5188 17.6706 17.6713 18.6939 18.6942 19.4505 19.4510 k = 0.2484-0.2500 0.0000 ( 1552 PWs) bands (ev): -8.8109 -8.8109 -5.9125 -5.9123 -2.7981 -2.7979 -0.2545 -0.2541 0.6411 0.6422 3.1564 3.1580 3.8919 3.8953 4.7949 4.7958 4.9049 4.9101 5.8872 5.8881 6.3278 6.3291 6.6972 6.6989 7.7817 7.7825 9.1738 9.1746 10.2280 10.2292 13.2378 13.2381 16.4681 16.4695 17.5421 17.5427 18.6352 18.6355 19.3353 19.3358 k = 0.2403-0.2419 0.0000 ( 1552 PWs) bands (ev): -8.8659 -8.8658 -5.8627 -5.8625 -2.7367 -2.7364 -0.2297 -0.2293 0.5849 0.5860 3.2126 3.2142 3.8590 3.8624 4.7836 4.7849 4.8729 4.8780 5.8748 5.8758 6.3352 6.3365 6.6904 6.6922 7.7148 7.7156 9.3170 9.3177 10.3401 10.3413 13.2680 13.2683 16.4192 16.4206 17.4147 17.4152 18.5776 18.5779 19.2204 19.2209 k = 0.2323-0.2339 0.0000 ( 1550 PWs) bands (ev): -8.9195 -8.9194 -5.8121 -5.8119 -2.6743 -2.6740 -0.2112 -0.2108 0.5301 0.5312 3.2749 3.2765 3.8179 3.8211 4.7636 4.7657 4.8513 4.8562 5.8626 5.8635 6.3448 6.3460 6.6812 6.6831 7.6587 7.6595 9.4619 9.4626 10.4528 10.4541 13.2978 13.2980 16.3709 16.3723 17.2886 17.2891 18.5210 18.5213 19.1062 19.1067 k = 0.2243-0.2258 0.0000 ( 1548 PWs) bands (ev): -8.9717 -8.9716 -5.7608 -5.7606 -2.6110 -2.6107 -0.1985 -0.1980 0.4765 0.4776 3.3421 3.3439 3.7695 3.7724 4.7356 4.7384 4.8401 4.8446 5.8499 5.8509 6.3550 6.3563 6.6704 6.6724 7.6143 7.6152 9.6081 9.6089 10.5659 10.5673 13.3270 13.3273 16.3231 16.3245 17.1639 17.1644 18.4655 18.4658 18.9931 18.9935 k = 0.2163-0.2177 0.0000 ( 1550 PWs) bands (ev): -9.0224 -9.0223 -5.7088 -5.7086 -2.5469 -2.5467 -0.1913 -0.1908 0.4240 0.4251 3.4116 3.4137 3.7162 3.7186 4.7026 4.7056 4.8367 4.8408 5.8366 5.8376 6.3641 6.3654 6.6598 6.6617 7.5819 7.5829 9.7553 9.7560 10.6789 10.6804 13.3558 13.3560 16.2759 16.2773 17.0408 17.0413 18.4110 18.4114 18.8812 18.8816 k = 0.2083-0.2097 0.0000 ( 1548 PWs) bands (ev): -9.0716 -9.0715 -5.6563 -5.6562 -2.4821 -2.4818 -0.1891 -0.1886 0.3727 0.3736 3.4754 3.4785 3.6659 3.6678 4.6657 4.6686 4.8394 4.8432 5.8228 5.8239 6.3695 6.3709 6.6525 6.6543 7.5610 7.5619 9.9030 9.9038 10.7915 10.7931 13.3840 13.3843 16.2293 16.2307 16.9197 16.9200 18.3578 18.3582 18.7709 18.7713 k = 0.2003-0.2016 0.0000 ( 1546 PWs) bands (ev): -9.1192 -9.1192 -5.6034 -5.6032 -2.4166 -2.4163 -0.1914 -0.1909 0.3222 0.3232 3.5011 3.5055 3.6512 3.6533 4.6248 4.6275 4.8478 4.8512 5.8085 5.8096 6.3689 6.3705 6.6517 6.6533 7.5503 7.5512 10.0510 10.0519 10.9034 10.9050 13.4116 13.4119 16.1832 16.1847 16.8005 16.8008 18.3056 18.3060 18.6624 18.6628 k = 0.1923-0.1936 0.0000 ( 1548 PWs) bands (ev): -9.1653 -9.1652 -5.5501 -5.5500 -2.3505 -2.3502 -0.1977 -0.1972 0.2727 0.2736 3.4602 3.4641 3.7025 3.7040 4.5795 4.5820 4.8618 4.8648 5.7938 5.7949 6.3614 6.3630 6.6595 6.6609 7.5483 7.5493 10.1990 10.1999 11.0143 11.0160 13.4388 13.4391 16.1378 16.1393 16.6835 16.6838 18.2544 18.2549 18.5561 18.5564 k = 0.1843-0.1855 0.0000 ( 1546 PWs) bands (ev): -9.2096 -9.2096 -5.4967 -5.4965 -2.2840 -2.2837 -0.2073 -0.2069 0.2240 0.2248 3.3928 3.3960 3.7784 3.7795 4.5294 4.5317 4.8814 4.8841 5.7788 5.7800 6.3479 6.3497 6.6760 6.6773 7.5537 7.5546 10.3468 10.3477 11.1238 11.1256 13.4653 13.4656 16.0929 16.0944 16.5689 16.5692 18.2043 18.2048 18.4520 18.4524 k = 0.1763-0.1774 0.0000 ( 1542 PWs) bands (ev): -9.2524 -9.2523 -5.4432 -5.4430 -2.2171 -2.2168 -0.2199 -0.2194 0.1760 0.1768 3.3180 3.3208 3.8593 3.8602 4.4748 4.4769 4.9069 4.9092 5.7637 5.7648 6.3311 6.3330 6.6998 6.7010 7.5649 7.5658 10.4939 10.4949 11.2318 11.2336 13.4914 13.4917 16.0485 16.0500 16.4570 16.4573 18.1551 18.1556 18.3506 18.3509 k = 0.1682-0.1694 0.0000 ( 1538 PWs) bands (ev): -9.2934 -9.2934 -5.3897 -5.3896 -2.1500 -2.1497 -0.2347 -0.2343 0.1287 0.1294 3.2407 3.2431 3.9397 3.9406 4.4162 4.4180 4.9381 4.9400 5.7483 5.7495 6.3135 6.3154 6.7289 6.7300 7.5806 7.5815 10.6400 10.6411 11.3377 11.3397 13.5169 13.5172 16.0045 16.0060 16.3481 16.3483 18.1065 18.1070 18.2521 18.2523 k = 0.1602-0.1613 0.0000 ( 1536 PWs) bands (ev): -9.3327 -9.3326 -5.3365 -5.3363 -2.0828 -2.0825 -0.2515 -0.2511 0.0821 0.0827 3.1627 3.1649 4.0163 4.0174 4.3548 4.3563 4.9751 4.9767 5.7328 5.7339 6.2972 6.2991 6.7617 6.7627 7.5998 7.6006 10.7849 10.7861 11.4415 11.4436 13.5418 13.5422 15.9607 15.9622 16.2424 16.2427 18.0580 18.0584 18.1568 18.1571 k = 0.1522-0.1532 0.0000 ( 1530 PWs) bands (ev): -9.3702 -9.3701 -5.2837 -5.2835 -2.0157 -2.0154 -0.2698 -0.2694 0.0361 0.0367 3.0853 3.0873 4.0848 4.0862 4.2942 4.2954 5.0179 5.0191 5.7171 5.7183 6.2836 6.2854 6.7970 6.7980 7.6215 7.6223 10.9282 10.9295 11.5427 11.5449 13.5663 13.5666 15.9168 15.9184 16.1406 16.1408 18.0085 18.0087 18.0659 18.0665 k = 0.1442-0.1452 0.0000 ( 1528 PWs) bands (ev): -9.4059 -9.4059 -5.2315 -5.2313 -1.9489 -1.9485 -0.2891 -0.2888 -0.0092 -0.0087 3.0092 3.0110 4.1280 4.1303 4.2504 4.2515 5.0661 5.0670 5.7013 5.7024 6.2736 6.2754 6.8338 6.8347 7.6450 7.6458 11.0696 11.0709 11.6411 11.6434 13.5902 13.5905 15.8723 15.8738 16.0434 16.0436 17.9517 17.9526 17.9839 17.9857 k = 0.1362-0.1371 0.0000 ( 1528 PWs) bands (ev): -9.4398 -9.4398 -5.1800 -5.1799 -1.8825 -1.8822 -0.3093 -0.3090 -0.0538 -0.0533 2.9351 2.9367 4.1048 4.1072 4.2652 4.2667 5.1192 5.1200 5.6854 5.6866 6.2678 6.2694 6.8714 6.8722 7.6698 7.6704 11.2084 11.2099 11.7363 11.7388 13.6136 13.6139 15.8256 15.8270 15.9525 15.9527 17.8779 17.8790 17.9212 17.9234 k = 0.1282-0.1290 0.0000 ( 1528 PWs) bands (ev): -9.4719 -9.4719 -5.1295 -5.1294 -1.8168 -1.8164 -0.3298 -0.3296 -0.0975 -0.0971 2.8635 2.8649 4.0427 4.0447 4.3119 4.3133 5.1765 5.1771 5.6697 5.6709 6.2663 6.2679 6.9091 6.9099 7.6952 7.6958 11.3444 11.3460 11.8281 11.8307 13.6364 13.6368 15.7735 15.7747 15.8713 15.8716 17.7984 17.7992 17.8639 17.8660 k = 0.1202-0.1210 0.0000 ( 1528 PWs) bands (ev): -9.5021 -9.5021 -5.0803 -5.0801 -1.7519 -1.7516 -0.3507 -0.3505 -0.1402 -0.1399 2.7946 2.7959 3.9722 3.9739 4.3601 4.3614 5.2366 5.2372 5.6544 5.6556 6.2694 6.2708 6.9467 6.9474 7.7208 7.7213 11.4771 11.4789 11.9162 11.9189 13.6587 13.6591 15.7116 15.7123 15.8045 15.8051 17.7208 17.7215 17.8002 17.8023 k = 0.1122-0.1129 0.0000 ( 1532 PWs) bands (ev): -9.5305 -9.5304 -5.0324 -5.0323 -1.6883 -1.6880 -0.3715 -0.3714 -0.1819 -0.1816 2.7290 2.7302 3.8998 3.9013 4.4043 4.4056 5.2981 5.2989 5.6395 5.6408 6.2769 6.2782 6.9835 6.9842 7.7462 7.7467 11.6059 11.6079 12.0001 12.0030 13.6804 13.6808 15.6407 15.6411 15.7515 15.7524 17.6467 17.6473 17.7245 17.7265 k = 0.1041-0.1048 0.0000 ( 1532 PWs) bands (ev): -9.5569 -9.5569 -4.9862 -4.9861 -1.6261 -1.6257 -0.3922 -0.3921 -0.2222 -0.2219 2.6668 2.6679 3.8277 3.8290 4.4438 4.4451 5.3593 5.3602 5.6255 5.6269 6.2887 6.2899 7.0194 7.0200 7.7712 7.7717 11.7303 11.7325 12.0797 12.0828 13.7015 13.7019 15.5669 15.5672 15.7064 15.7075 17.5766 17.5771 17.6361 17.6378 k = 0.0961-0.0968 0.0000 ( 1528 PWs) bands (ev): -9.5815 -9.5815 -4.9419 -4.9418 -1.5656 -1.5652 -0.4125 -0.4124 -0.2610 -0.2607 2.6083 2.6093 3.7570 3.7582 4.4786 4.4799 5.4181 5.4193 5.6128 5.6145 6.3048 6.3058 7.0539 7.0545 7.7953 7.7958 11.8497 11.8522 12.1547 12.1580 13.7220 13.7223 15.4947 15.4948 15.6654 15.6665 17.5107 17.5112 17.5395 17.5410 k = 0.0881-0.0887 0.0000 ( 1530 PWs) bands (ev): -9.6041 -9.6041 -4.8999 -4.8997 -1.5072 -1.5069 -0.4325 -0.4323 -0.2981 -0.2977 2.5537 2.5546 3.6888 3.6899 4.5091 4.5102 5.4718 5.4735 5.6027 5.6048 6.3246 6.3255 7.0868 7.0874 7.8185 7.8189 11.9634 11.9662 12.2248 12.2285 13.7416 13.7420 15.4258 15.4259 15.6267 15.6279 17.4405 17.4418 17.4495 17.4498 k = 0.0801-0.0806 0.0000 ( 1532 PWs) bands (ev): -9.6248 -9.6248 -4.8602 -4.8601 -1.4513 -1.4509 -0.4518 -0.4516 -0.3332 -0.3328 2.5032 2.5040 3.6237 3.6247 4.5356 4.5367 5.5157 5.5181 5.5989 5.6018 6.3479 6.3486 7.1178 7.1184 7.8404 7.8408 12.0707 12.0738 12.2897 12.2937 13.7605 13.7608 15.3612 15.3613 15.5900 15.5911 17.3440 17.3451 17.3927 17.3930 k = 0.0721-0.0726 0.0000 ( 1536 PWs) bands (ev): -9.6436 -9.6436 -4.8233 -4.8232 -1.3982 -1.3979 -0.4704 -0.4700 -0.3661 -0.3656 2.4570 2.4577 3.5626 3.5635 4.5586 4.5596 5.5392 5.5417 5.6119 5.6148 6.3738 6.3745 7.1467 7.1472 7.8608 7.8611 12.1707 12.1744 12.3492 12.3537 13.7783 13.7786 15.3016 15.3017 15.5550 15.5561 17.2525 17.2536 17.3408 17.3411 k = 0.0641-0.0645 0.0000 ( 1538 PWs) bands (ev): -9.6604 -9.6604 -4.7894 -4.7893 -1.3484 -1.3481 -0.4880 -0.4876 -0.3965 -0.3960 2.4151 2.4158 3.5060 3.5068 4.5785 4.5794 5.5423 5.5439 5.6417 5.6437 6.4016 6.4022 7.1732 7.1737 7.8796 7.8799 12.2627 12.2671 12.4031 12.4083 13.7950 13.7953 15.2473 15.2474 15.5220 15.5230 17.1679 17.1689 17.2940 17.2942 k = 0.0561-0.0565 0.0000 ( 1540 PWs) bands (ev): -9.6753 -9.6753 -4.7587 -4.7586 -1.3024 -1.3021 -0.5045 -0.5040 -0.4242 -0.4237 2.3778 2.3784 3.4546 3.4553 4.5955 4.5963 5.5379 5.5388 5.6740 5.6753 6.4302 6.4307 7.1971 7.1975 7.8965 7.8968 12.3458 12.3511 12.4515 12.4575 13.8104 13.8107 15.1987 15.1987 15.4913 15.4922 17.0915 17.0924 17.2523 17.2525 k = 0.0481-0.0484 0.0000 ( 1537 PWs) bands (ev): -9.6882 -9.6882 -4.7315 -4.7314 -1.2607 -1.2605 -0.5196 -0.5190 -0.4491 -0.4485 2.3452 2.3458 3.4089 3.4095 4.6099 4.6106 5.5319 5.5325 5.7030 5.7039 6.4583 6.4587 7.2183 7.2186 7.9115 7.9117 12.4188 12.4255 12.4943 12.5016 13.8244 13.8247 15.1560 15.1560 15.4631 15.4640 17.0241 17.0249 17.2159 17.2161 k = 0.0401-0.0403 0.0000 ( 1539 PWs) bands (ev): -9.6991 -9.6991 -4.7080 -4.7080 -1.2239 -1.2236 -0.5330 -0.5324 -0.4708 -0.4702 2.3174 2.3179 3.3694 3.3699 4.6218 4.6223 5.5260 5.5264 5.7273 5.7280 6.4846 6.4849 7.2365 7.2368 7.9244 7.9246 12.4799 12.4882 12.5324 12.5412 13.8366 13.8369 15.1195 15.1195 15.4382 15.4389 16.9664 16.9670 17.1848 17.1850 k = 0.0320-0.0323 0.0000 ( 1543 PWs) bands (ev): -9.7081 -9.7080 -4.6885 -4.6885 -1.1925 -1.1923 -0.5444 -0.5438 -0.4893 -0.4886 2.2945 2.2949 3.3365 3.3369 4.6313 4.6318 5.5208 5.5211 5.7468 5.7473 6.5080 6.5083 7.2516 7.2518 7.9351 7.9352 12.5275 12.5363 12.5679 12.5771 13.8470 13.8472 15.0892 15.0893 15.4168 15.4174 16.9186 16.9192 17.1593 17.1595 k = 0.0240-0.0242 0.0000 ( 1543 PWs) bands (ev): -9.7150 -9.7150 -4.6731 -4.6731 -1.1673 -1.1671 -0.5535 -0.5529 -0.5041 -0.5035 2.2766 2.2769 3.3105 3.3108 4.6387 4.6391 5.5166 5.5168 5.7617 5.7620 6.5274 6.5276 7.2635 7.2636 7.9435 7.9436 12.5612 12.5678 12.6024 12.6093 13.8553 13.8554 15.0656 15.0656 15.3996 15.4000 16.8813 16.8817 17.1394 17.1395 k = 0.0160-0.0161 0.0000 ( 1547 PWs) bands (ev): -9.7200 -9.7200 -4.6620 -4.6620 -1.1487 -1.1486 -0.5601 -0.5596 -0.5149 -0.5145 2.2638 2.2639 3.2918 3.2920 4.6439 4.6442 5.5136 5.5137 5.7721 5.7723 6.5420 6.5421 7.2720 7.2721 7.9496 7.9496 12.5832 12.5870 12.6307 12.6348 13.8613 13.8614 15.0486 15.0486 15.3869 15.3872 16.8544 16.8547 17.1251 17.1252 k = 0.0080-0.0081 0.0000 ( 1549 PWs) bands (ev): -9.7230 -9.7230 -4.6553 -4.6553 -1.1373 -1.1372 -0.5640 -0.5638 -0.5216 -0.5213 2.2560 2.2561 3.2805 3.2806 4.6471 4.6472 5.5117 5.5118 5.7783 5.7784 6.5509 6.5510 7.2772 7.2773 7.9532 7.9533 12.5958 12.5975 12.6489 12.6508 13.8650 13.8651 15.0383 15.0383 15.3792 15.3794 16.8384 16.8385 17.1165 17.1166 k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -9.7240 -9.7240 -4.6531 -4.6531 -1.1334 -1.1334 -0.5652 -0.5652 -0.5237 -0.5237 2.2535 2.2535 3.2767 3.2767 4.6481 4.6481 5.5111 5.5111 5.7804 5.7804 6.5540 6.5540 7.2790 7.2790 7.9545 7.9545 12.6004 12.6004 12.6556 12.6556 13.8663 13.8663 15.0349 15.0349 15.3767 15.3767 16.8330 16.8330 17.1137 17.1137 k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -9.7240 -9.7240 -4.6531 -4.6531 -1.1334 -1.1334 -0.5652 -0.5652 -0.5237 -0.5237 2.2535 2.2535 3.2767 3.2767 4.6481 4.6481 5.5111 5.5111 5.7804 5.7804 6.5540 6.5540 7.2790 7.2790 7.9545 7.9545 12.6004 12.6004 12.6556 12.6556 13.8663 13.8663 15.0349 15.0349 15.3767 15.3767 16.8330 16.8330 17.1137 17.1137 k = 0.0114-0.0001-0.0000 ( 1549 PWs) bands (ev): -9.7230 -9.7230 -4.6558 -4.6558 -1.1361 -1.1360 -0.5624 -0.5622 -0.5222 -0.5220 2.2519 2.2520 3.2826 3.2827 4.6473 4.6475 5.5088 5.5089 5.7791 5.7792 6.5524 6.5525 7.2778 7.2779 7.9535 7.9535 12.5956 12.5968 12.6518 12.6530 13.8619 13.8619 15.0375 15.0376 15.3812 15.3813 16.8368 16.8370 17.1169 17.1170 k = 0.0227-0.0002-0.0001 ( 1547 PWs) bands (ev): -9.7199 -9.7199 -4.6640 -4.6640 -1.1438 -1.1437 -0.5545 -0.5541 -0.5169 -0.5165 2.2475 2.2476 3.3003 3.3005 4.6450 4.6453 5.5019 5.5021 5.7754 5.7756 6.5477 6.5479 7.2745 7.2746 7.9505 7.9506 12.5826 12.5848 12.6414 12.6437 13.8487 13.8488 15.0454 15.0456 15.3948 15.3950 16.8484 16.8486 17.1267 17.1269 k = 0.0341-0.0002-0.0001 ( 1545 PWs) bands (ev): -9.7147 -9.7147 -4.6777 -4.6776 -1.1558 -1.1557 -0.5439 -0.5434 -0.5060 -0.5055 2.2406 2.2408 3.3292 3.3295 4.6412 4.6417 5.4905 5.4907 5.7693 5.7696 6.5399 6.5401 7.2691 7.2693 7.9456 7.9458 12.5616 12.5646 12.6246 12.6278 13.8270 13.8272 15.0585 15.0587 15.4174 15.4177 16.8676 16.8679 17.1430 17.1433 k = 0.0455-0.0003-0.0001 ( 1546 PWs) bands (ev): -9.7075 -9.7075 -4.6967 -4.6966 -1.1712 -1.1711 -0.5336 -0.5330 -0.4876 -0.4870 2.2319 2.2321 3.3686 3.3690 4.6359 4.6365 5.4746 5.4748 5.7607 5.7611 6.5290 6.5293 7.2619 7.2622 7.9390 7.9392 12.5329 12.5364 12.6012 12.6051 13.7971 13.7973 15.0765 15.0768 15.4488 15.4493 16.8941 16.8946 17.1659 17.1662 k = 0.0568-0.0004-0.0002 ( 1546 PWs) bands (ev): -9.6983 -9.6983 -4.7210 -4.7210 -1.1889 -1.1888 -0.5241 -0.5236 -0.4621 -0.4616 2.2221 2.2223 3.4176 3.4180 4.6290 4.6297 5.4543 5.4547 5.7496 5.7501 6.5150 6.5153 7.2533 7.2536 7.9308 7.9310 12.4968 12.5007 12.5714 12.5757 13.7595 13.7598 15.0993 15.0995 15.4890 15.4896 16.9278 16.9284 17.1953 17.1957 k = 0.0682-0.0005-0.0002 ( 1545 PWs) bands (ev): -9.6870 -9.6870 -4.7505 -4.7504 -1.2080 -1.2078 -0.5147 -0.5143 -0.4314 -0.4309 2.2118 2.2122 3.4751 3.4756 4.6205 4.6214 5.4299 5.4303 5.7360 5.7366 6.4979 6.4983 7.2437 7.2440 7.9212 7.9214 12.4538 12.4579 12.5353 12.5399 13.7147 13.7151 15.1263 15.1266 15.5377 15.5384 16.9682 16.9690 17.2313 17.2318 k = 0.0795-0.0005-0.0002 ( 1544 PWs) bands (ev): -9.6736 -9.6736 -4.7851 -4.7850 -1.2277 -1.2274 -0.5047 -0.5043 -0.3969 -0.3965 2.2019 2.2022 3.5402 3.5407 4.6104 4.6114 5.4014 5.4019 5.7199 5.7205 6.4777 6.4781 7.2334 7.2339 7.9104 7.9107 12.4042 12.4085 12.4930 12.4978 13.6633 13.6637 15.1574 15.1577 15.5947 15.5954 17.0149 17.0158 17.2738 17.2743 k = 0.0909-0.0006-0.0003 ( 1545 PWs) bands (ev): -9.6583 -9.6583 -4.8246 -4.8245 -1.2472 -1.2469 -0.4937 -0.4934 -0.3596 -0.3593 2.1927 2.1931 3.6120 3.6126 4.5986 4.5997 5.3692 5.3697 5.7012 5.7019 6.4544 6.4549 7.2231 7.2237 7.8987 7.8991 12.3486 12.3529 12.4447 12.4495 13.6058 13.6062 15.1920 15.1924 15.6597 15.6605 17.0672 17.0684 17.3228 17.3234 k = 0.1023-0.0007-0.0003 ( 1541 PWs) bands (ev): -9.6409 -9.6408 -4.8688 -4.8687 -1.2660 -1.2658 -0.4816 -0.4814 -0.3204 -0.3200 2.1848 2.1852 3.6895 3.6901 4.5851 4.5863 5.3334 5.3340 5.6800 5.6808 6.4282 6.4288 7.2133 7.2139 7.8865 7.8869 12.2875 12.2917 12.3907 12.3955 13.5427 13.5432 15.2299 15.2303 15.7323 15.7332 17.1244 17.1258 17.3783 17.3790 k = 0.1136-0.0008-0.0004 ( 1539 PWs) bands (ev): -9.6214 -9.6214 -4.9177 -4.9175 -1.2839 -1.2836 -0.4685 -0.4682 -0.2796 -0.2792 2.1785 2.1789 3.7717 3.7724 4.5699 4.5712 5.2943 5.2949 5.6564 5.6573 6.3990 6.3997 7.2045 7.2051 7.8740 7.8744 12.2212 12.2253 12.3313 12.3361 13.4746 13.4752 15.2704 15.2709 15.8124 15.8134 17.1855 17.1872 17.4403 17.4411 k = 0.1250-0.0008-0.0004 ( 1541 PWs) bands (ev): -9.6000 -9.6000 -4.9708 -4.9707 -1.3003 -1.3000 -0.4541 -0.4539 -0.2376 -0.2373 2.1741 2.1745 3.8578 3.8585 4.5529 4.5544 5.2523 5.2530 5.6303 5.6313 6.3671 6.3678 7.1971 7.1978 7.8615 7.8619 12.1502 12.1542 12.2667 12.2714 13.4019 13.4026 15.3133 15.3138 15.8994 15.9005 17.2492 17.2511 17.5087 17.5095 k = 0.1364-0.0009-0.0004 ( 1541 PWs) bands (ev): -9.5765 -9.5765 -5.0281 -5.0280 -1.3151 -1.3149 -0.4387 -0.4385 -0.1948 -0.1945 2.1718 2.1722 3.9465 3.9474 4.5343 4.5359 5.2078 5.2086 5.6020 5.6031 6.3328 6.3336 7.1915 7.1923 7.8495 7.8499 12.0750 12.0789 12.1973 12.2019 13.3252 13.3259 15.3581 15.3586 15.9932 15.9944 17.3139 17.3161 17.5832 17.5842 k = 0.1477-0.0010-0.0005 ( 1538 PWs) bands (ev): -9.5510 -9.5510 -5.0893 -5.0892 -1.3282 -1.3280 -0.4221 -0.4219 -0.1513 -0.1510 2.1717 2.1721 4.0367 4.0376 4.5141 4.5159 5.1613 5.1621 5.5718 5.5730 6.2964 6.2972 7.1882 7.1891 7.8382 7.8387 11.9960 11.9999 12.1235 12.1279 13.2448 13.2455 15.4044 15.4049 16.0934 16.0946 17.3776 17.3800 17.6637 17.6648 k = 0.1591-0.0011-0.0005 ( 1536 PWs) bands (ev): -9.5236 -9.5236 -5.1541 -5.1540 -1.3395 -1.3393 -0.4044 -0.4042 -0.1074 -0.1071 2.1739 2.1743 4.1264 4.1275 4.4928 4.4947 5.1132 5.1141 5.5401 5.5414 6.2585 6.2594 7.1873 7.1883 7.8280 7.8286 11.9137 11.9175 12.0455 12.0499 13.1611 13.1618 15.4519 15.4523 16.1995 16.2008 17.4378 17.4404 17.7497 17.7510 k = 0.1705-0.0011-0.0005 ( 1537 PWs) bands (ev): -9.4942 -9.4942 -5.2223 -5.2222 -1.3489 -1.3487 -0.3857 -0.3855 -0.0631 -0.0628 2.1784 2.1788 4.2129 4.2143 4.4714 4.4735 5.0644 5.0654 5.5072 5.5086 6.2198 6.2208 7.1891 7.1901 7.8193 7.8199 11.8285 11.8322 11.9638 11.9680 13.0743 13.0750 15.5001 15.5005 16.3112 16.3126 17.4917 17.4944 17.8406 17.8422 k = 0.1818-0.0012-0.0006 ( 1534 PWs) bands (ev): -9.4628 -9.4628 -5.2937 -5.2935 -1.3564 -1.3562 -0.3659 -0.3658 -0.0187 -0.0183 2.1852 2.1857 4.2901 4.2922 4.4535 4.4559 5.0157 5.0168 5.4739 5.4754 6.1814 6.1825 7.1936 7.1947 7.8124 7.8130 11.7408 11.7444 11.8787 11.8828 12.9848 12.9856 15.5487 15.5492 16.4280 16.4296 17.5370 17.5396 17.9361 17.9379 k = 0.1932-0.0013-0.0006 ( 1535 PWs) bands (ev): -9.4294 -9.4294 -5.3679 -5.3677 -1.3621 -1.3618 -0.3453 -0.3451 0.0259 0.0263 2.1944 2.1949 4.3406 4.3438 4.4532 4.4561 4.9687 4.9699 5.4411 5.4426 6.1447 6.1458 7.2009 7.2020 7.8076 7.8082 11.6510 11.6545 11.7905 11.7945 12.8929 12.8937 15.5976 15.5981 16.5496 16.5512 17.5720 17.5745 18.0355 18.0376 k = 0.2045-0.0014-0.0006 ( 1533 PWs) bands (ev): -9.3942 -9.3942 -5.4447 -5.4445 -1.3660 -1.3657 -0.3237 -0.3236 0.0706 0.0709 2.2059 2.2063 4.3442 4.3472 4.4878 4.4900 4.9254 4.9268 5.4097 5.4113 6.1115 6.1127 7.2108 7.2120 7.8051 7.8058 11.5594 11.5628 11.6995 11.7035 12.7989 12.7997 15.6465 15.6469 16.6755 16.6772 17.5965 17.5988 18.1388 18.1411 k = 0.2159-0.0014-0.0007 ( 1532 PWs) bands (ev): -9.3570 -9.3570 -5.5238 -5.5236 -1.3681 -1.3678 -0.3014 -0.3013 0.1151 0.1155 2.2195 2.2200 4.3223 4.3250 4.5284 4.5297 4.8892 4.8908 5.3810 5.3825 6.0844 6.0857 7.2233 7.2246 7.8053 7.8060 11.4663 11.4697 11.6062 11.6101 12.7028 12.7036 15.6951 15.6956 16.8050 16.8069 17.6114 17.6136 18.2459 18.2485 k = 0.2273-0.0015-0.0007 ( 1528 PWs) bands (ev): -9.3179 -9.3179 -5.6050 -5.6048 -1.3686 -1.3683 -0.2783 -0.2782 0.1596 0.1600 2.2354 2.2359 4.2923 4.2949 4.5509 4.5516 4.8631 4.8649 5.3557 5.3571 6.0667 6.0681 7.2383 7.2397 7.8083 7.8090 11.3721 11.3754 11.5107 11.5146 12.6051 12.6059 15.7434 15.7439 16.9375 16.9395 17.6184 17.6204 18.3570 18.3597 k = 0.2386-0.0016-0.0007 ( 1529 PWs) bands (ev): -9.2770 -9.2770 -5.6880 -5.6879 -1.3675 -1.3673 -0.2546 -0.2545 0.2039 0.2043 2.2532 2.2537 4.2586 4.2612 4.5485 4.5488 4.8467 4.8485 5.3337 5.3348 6.0623 6.0637 7.2556 7.2571 7.8143 7.8150 11.2769 11.2802 11.4135 11.4173 12.5059 12.5067 15.7913 15.7917 17.0719 17.0740 17.6196 17.6216 18.4719 18.4747 k = 0.2500-0.0017-0.0008 ( 1531 PWs) bands (ev): -9.2342 -9.2342 -5.7726 -5.7725 -1.3651 -1.3649 -0.2304 -0.2303 0.2480 0.2483 2.2731 2.2736 4.2227 4.2253 4.5247 4.5250 4.8335 4.8352 5.3132 5.3140 6.0750 6.0765 7.2751 7.2766 7.8234 7.8242 11.1811 11.1845 11.3146 11.3184 12.4055 12.4063 15.8386 15.8390 17.2057 17.2081 17.6184 17.6203 18.5903 18.5931 k = 0.2614-0.0017-0.0008 ( 1533 PWs) bands (ev): -9.1896 -9.1896 -5.8586 -5.8584 -1.3614 -1.3612 -0.2057 -0.2056 0.2916 0.2920 2.2948 2.2953 4.1852 4.1878 4.4874 4.4877 4.8163 4.8178 5.2911 5.2917 6.1077 6.1092 7.2965 7.2980 7.8358 7.8366 11.0849 11.0883 11.2145 11.2183 12.3041 12.3049 15.8853 15.8857 17.3331 17.3357 17.6214 17.6234 18.7118 18.7146 k = 0.2727-0.0018-0.0009 ( 1533 PWs) bands (ev): -9.1432 -9.1432 -5.9456 -5.9455 -1.3565 -1.3563 -0.1806 -0.1805 0.3349 0.3353 2.3182 2.3187 4.1464 4.1490 4.4426 4.4430 4.7919 4.7931 5.2643 5.2647 6.1611 6.1626 7.3196 7.3212 7.8514 7.8523 10.9885 10.9919 11.1134 11.1172 12.2020 12.2029 15.9314 15.9318 17.4343 17.4369 17.6491 17.6510 18.8358 18.8386 k = 0.2841-0.0019-0.0009 ( 1534 PWs) bands (ev): -9.0951 -9.0951 -6.0335 -6.0334 -1.3506 -1.3504 -0.1554 -0.1553 0.3777 0.3780 2.3432 2.3437 4.1068 4.1093 4.3942 4.3946 4.7603 4.7612 5.2311 5.2316 6.2335 6.2349 7.3444 7.3460 7.8704 7.8713 10.8920 10.8956 11.0115 11.0154 12.0996 12.1004 15.9769 15.9773 17.4780 17.4795 17.7338 17.7349 18.9616 18.9645 k = 0.2955-0.0020-0.0009 ( 1533 PWs) bands (ev): -9.0453 -9.0453 -6.1221 -6.1219 -1.3438 -1.3436 -0.1300 -0.1299 0.4198 0.4202 2.3696 2.3701 4.0666 4.0690 4.3442 4.3446 4.7228 4.7236 5.1916 5.1921 6.3220 6.3233 7.3706 7.3722 7.8926 7.8935 10.7956 10.7992 10.9090 10.9131 11.9971 11.9979 16.0218 16.0221 17.4783 17.4790 17.8601 17.8612 19.0886 19.0915 k = 0.3068-0.0020-0.0010 ( 1534 PWs) bands (ev): -8.9939 -8.9939 -6.2110 -6.2109 -1.3363 -1.3361 -0.1046 -0.1045 0.4612 0.4616 2.3973 2.3978 4.0260 4.0284 4.2940 4.2945 4.6812 4.6819 5.1468 5.1473 6.4231 6.4243 7.3980 7.3997 7.9181 7.9189 10.6992 10.7030 10.8064 10.8106 11.8949 11.8957 16.0661 16.0664 17.4620 17.4624 18.0015 18.0028 19.2160 19.2188 k = 0.3182-0.0021-0.0010 ( 1534 PWs) bands (ev): -8.9409 -8.9408 -6.3002 -6.3001 -1.3282 -1.3281 -0.0794 -0.0793 0.5017 0.5021 2.4261 2.4266 3.9854 3.9878 4.2445 4.2449 4.6369 4.6376 5.0978 5.0985 6.5338 6.5349 7.4265 7.4281 7.9466 7.9474 10.6027 10.6068 10.7041 10.7085 11.7935 11.7943 16.1098 16.1101 17.4387 17.4389 18.1486 18.1502 19.3428 19.3456 k = 0.3295-0.0022-0.0010 ( 1533 PWs) bands (ev): -8.8863 -8.8863 -6.3894 -6.3893 -1.3197 -1.3195 -0.0545 -0.0544 0.5412 0.5416 2.4558 2.4563 3.9452 3.9474 4.1962 4.1967 4.5912 4.5918 5.0461 5.0468 6.6516 6.6527 7.4559 7.4575 7.9780 7.9789 10.5060 10.5103 10.6025 10.6071 11.6932 11.6940 16.1530 16.1533 17.4114 17.4116 18.2983 18.3000 19.4680 19.4708 k = 0.3409-0.0023-0.0011 ( 1532 PWs) bands (ev): -8.8304 -8.8303 -6.4784 -6.4782 -1.3109 -1.3107 -0.0301 -0.0300 0.5795 0.5799 2.4862 2.4866 3.9055 3.9076 4.1497 4.1501 4.5449 4.5455 4.9928 4.9934 6.7746 6.7756 7.4861 7.4877 8.0122 8.0130 10.4085 10.4129 10.5026 10.5073 11.5946 11.5954 16.1956 16.1959 17.3817 17.3818 18.4490 18.4508 19.5907 19.5934 k = 0.3523-0.0023-0.0011 ( 1532 PWs) bands (ev): -8.7731 -8.7730 -6.5669 -6.5667 -1.3019 -1.3018 -0.0063 -0.0062 0.6165 0.6169 2.5169 2.5174 3.8666 3.8687 4.1052 4.1057 4.4989 4.4996 4.9386 4.9393 6.9009 6.9019 7.5171 7.5187 8.0489 8.0497 10.3096 10.3140 10.4054 10.4101 11.4983 11.4990 16.2377 16.2379 17.3501 17.3503 18.5996 18.6016 19.7095 19.7122 k = 0.3636-0.0024-0.0011 ( 1532 PWs) bands (ev): -8.7146 -8.7146 -6.6547 -6.6545 -1.2929 -1.2928 0.0167 0.0168 0.6519 0.6523 2.5478 2.5482 3.8290 3.8309 4.0632 4.0637 4.4538 4.4545 4.8846 4.8853 7.0290 7.0300 7.5489 7.5504 8.0879 8.0887 10.2086 10.2127 10.3118 10.3162 11.4048 11.4055 16.2792 16.2794 17.3173 17.3174 18.7494 18.7515 19.8232 19.8258 k = 0.3750-0.0025-0.0012 ( 1532 PWs) bands (ev): -8.6551 -8.6551 -6.7415 -6.7414 -1.2841 -1.2840 0.0387 0.0388 0.6857 0.6860 2.5785 2.5789 3.7928 3.7946 4.0239 4.0243 4.4104 4.4110 4.8314 4.8321 7.1573 7.1583 7.5820 7.5834 8.1288 8.1297 10.1051 10.1088 10.2225 10.2264 11.3149 11.3155 16.3201 16.3204 17.2834 17.2836 18.8977 18.8999 19.9303 19.9329 k = 0.3864-0.0026-0.0012 ( 1530 PWs) bands (ev): -8.5948 -8.5948 -6.8270 -6.8269 -1.2755 -1.2754 0.0596 0.0597 0.7175 0.7178 2.6087 2.6091 3.7585 3.7601 3.9874 3.9878 4.3690 4.3696 4.7798 4.7804 7.2833 7.2844 7.6174 7.6188 8.1715 8.1724 9.9990 10.0022 10.1378 10.1412 11.2291 11.2298 16.3605 16.3607 17.2490 17.2491 19.0437 19.0459 20.0292 20.0317 k = 0.3977-0.0026-0.0012 ( 1530 PWs) bands (ev): -8.5340 -8.5340 -6.9109 -6.9108 -1.2673 -1.2672 0.0791 0.0792 0.7472 0.7475 2.6380 2.6384 3.7263 3.7277 3.9541 3.9544 4.3301 4.3308 4.7302 4.7308 7.4029 7.4040 7.6582 7.6595 8.2156 8.2165 9.8905 9.8933 10.0578 10.0608 11.1484 11.1490 16.4001 16.4003 17.2141 17.2143 19.1866 19.1889 20.1183 20.1207 k = 0.4091-0.0027-0.0013 ( 1534 PWs) bands (ev): -8.4731 -8.4730 -6.9927 -6.9927 -1.2596 -1.2596 0.0972 0.0973 0.7745 0.7748 2.6659 2.6663 3.6965 3.6978 3.9239 3.9242 4.2942 4.2949 4.6834 4.6839 7.5073 7.5084 7.7117 7.7129 8.2609 8.2620 9.7798 9.7823 9.9829 9.9854 11.0733 11.0739 16.4389 16.4390 17.1792 17.1793 19.3254 19.3277 20.1959 20.1982 k = 0.4205-0.0028-0.0013 ( 1534 PWs) bands (ev): -8.4125 -8.4125 -7.0718 -7.0718 -1.2526 -1.2525 0.1136 0.1137 0.7992 0.7995 2.6922 2.6926 3.6694 3.6705 3.8970 3.8974 4.2618 4.2623 4.6399 4.6404 7.5846 7.5855 7.7884 7.7893 8.3074 8.3086 9.6673 9.6695 9.9133 9.9154 11.0048 11.0053 16.4766 16.4768 17.1446 17.1447 19.4592 19.4616 20.2604 20.2627 k = 0.4318-0.0029-0.0013 ( 1534 PWs) bands (ev): -8.3531 -8.3531 -7.1474 -7.1474 -1.2462 -1.2462 0.1282 0.1283 0.8212 0.8214 2.7163 2.7166 3.6453 3.6463 3.8736 3.8739 4.2330 4.2335 4.6005 4.6010 7.6343 7.6350 7.8861 7.8871 8.3555 8.3569 9.5532 9.5552 9.8498 9.8516 10.9436 10.9440 16.5130 16.5131 17.1107 17.1108 19.5868 19.5892 20.3106 20.3128 k = 0.4432-0.0029-0.0014 ( 1534 PWs) bands (ev): -8.2959 -8.2959 -7.2184 -7.2183 -1.2407 -1.2406 0.1409 0.1409 0.8402 0.8404 2.7378 2.7380 3.6245 3.6253 3.8537 3.8540 4.2082 4.2087 4.5657 4.5661 7.6671 7.6678 7.9909 7.9921 8.4061 8.4080 9.4381 9.4400 9.7931 9.7946 10.8903 10.8907 16.5475 16.5476 17.0782 17.0783 19.7066 19.7091 20.3454 20.3475 k = 0.4545-0.0030-0.0014 ( 1532 PWs) bands (ev): -8.2426 -8.2425 -7.2831 -7.2830 -1.2361 -1.2360 0.1514 0.1514 0.8560 0.8562 2.7561 2.7563 3.6072 3.6078 3.8373 3.8376 4.1877 4.1881 4.5362 4.5366 7.6906 7.6912 8.0906 8.0919 8.4619 8.4640 9.3226 9.3244 9.7444 9.7456 10.8457 10.8460 16.5794 16.5795 17.0479 17.0480 19.8169 19.8193 20.3646 20.3667 k = 0.4659-0.0031-0.0015 ( 1531 PWs) bands (ev): -8.1953 -8.1953 -7.3392 -7.3391 -1.2324 -1.2323 0.1597 0.1597 0.8685 0.8686 2.7709 2.7711 3.5935 3.5940 3.8246 3.8248 4.1717 4.1719 4.5126 4.5128 7.7078 7.7082 8.1755 8.1769 8.5263 8.5286 9.2081 9.2098 9.7047 9.7056 10.8104 10.8107 16.6074 16.6075 17.0210 17.0210 19.9150 19.9172 20.3692 20.3712 k = 0.4773-0.0032-0.0015 ( 1533 PWs) bands (ev): -8.1572 -8.1572 -7.3836 -7.3836 -1.2297 -1.2297 0.1657 0.1657 0.8775 0.8776 2.7817 2.7819 3.5837 3.5840 3.8155 3.8156 4.1601 4.1603 4.4952 4.4954 7.7197 7.7200 8.2383 8.2394 8.6010 8.6032 9.0977 9.0993 9.6753 9.6759 10.7848 10.7850 16.6300 16.6300 16.9992 16.9992 19.9965 19.9984 20.3620 20.3638 k = 0.4886-0.0032-0.0015 ( 1534 PWs) bands (ev): -8.1320 -8.1320 -7.4126 -7.4126 -1.2281 -1.2281 0.1694 0.1694 0.8830 0.8830 2.7884 2.7885 3.5777 3.5779 3.8100 3.8101 4.1532 4.1533 4.4847 4.4848 7.7268 7.7269 8.2756 8.2762 8.6780 8.6797 9.0009 9.0022 9.6572 9.6575 10.7694 10.7694 16.6449 16.6450 16.9847 16.9847 20.0542 20.0554 20.3499 20.3509 k = 0.5000-0.0033-0.0016 ( 1534 PWs) bands (ev): -8.1232 -8.1232 -7.4227 -7.4227 -1.2275 -1.2275 0.1706 0.1706 0.8849 0.8849 2.7907 2.7907 3.5758 3.5758 3.8082 3.8082 4.1509 4.1509 4.4812 4.4812 7.7292 7.7292 8.2880 8.2880 8.7203 8.7203 8.9537 8.9537 9.6512 9.6512 10.7642 10.7642 16.6502 16.6502 16.9796 16.9796 20.0764 20.0764 20.3438 20.3438 k = 0.5000-0.0033 0.4977 ( 1540 PWs) bands (ev): -7.3485 -7.3485 -6.8407 -6.8407 -3.6653 -3.6653 -1.6155 -1.6155 2.2606 2.2606 2.5996 2.5996 3.2052 3.2052 4.1212 4.1212 4.6876 4.6876 5.5988 5.5988 6.5016 6.5016 7.5591 7.5591 8.6194 8.6194 9.7765 9.7765 10.0735 10.0735 11.5197 11.5197 18.7707 18.7707 19.4729 19.4729 19.9262 19.9262 20.0318 20.0318 k = 0.4919-0.0033 0.4897 ( 1539 PWs) bands (ev): -7.3543 -7.3543 -6.8356 -6.8356 -3.6654 -3.6654 -1.6119 -1.6118 2.2526 2.2529 2.6057 2.6059 3.2045 3.2048 4.1206 4.1210 4.6885 4.6887 5.5996 5.5998 6.5040 6.5042 7.5618 7.5619 8.6147 8.6147 9.7601 9.7603 10.0900 10.0902 11.5150 11.5151 18.7758 18.7758 19.4651 19.4657 19.9219 19.9228 20.0399 20.0409 k = 0.4839-0.0032 0.4817 ( 1538 PWs) bands (ev): -7.3710 -7.3709 -6.8212 -6.8211 -3.6658 -3.6657 -1.6010 -1.6008 2.2306 2.2310 2.6223 2.6227 3.2029 3.2034 4.1192 4.1200 4.6914 4.6918 5.6022 5.6025 6.5114 6.5118 7.5699 7.5701 8.6007 8.6007 9.7188 9.7192 10.1319 10.1323 11.5013 11.5013 18.7911 18.7912 19.4433 19.4443 19.9127 19.9140 20.0617 20.0633 k = 0.4758-0.0032 0.4737 ( 1538 PWs) bands (ev): -7.3969 -7.3968 -6.7989 -6.7988 -3.6663 -3.6663 -1.5829 -1.5827 2.1982 2.1987 2.6457 2.6462 3.2002 3.2009 4.1175 4.1185 4.6962 4.6969 5.6065 5.6070 6.5237 6.5243 7.5835 7.5837 8.5776 8.5777 9.6645 9.6650 10.1874 10.1879 11.4786 11.4787 18.8158 18.8159 19.4096 19.4111 19.9012 19.9025 20.0915 20.0934 k = 0.4677-0.0031 0.4656 ( 1540 PWs) bands (ev): -7.4303 -7.4302 -6.7705 -6.7704 -3.6669 -3.6668 -1.5578 -1.5576 2.1587 2.1594 2.6725 2.6731 3.1966 3.1975 4.1157 4.1170 4.7029 4.7037 5.6125 5.6131 6.5405 6.5413 7.6023 7.6027 8.5459 8.5460 9.6040 9.6046 10.2496 10.2502 11.4473 11.4474 18.8483 18.8485 19.3677 19.3697 19.8865 19.8879 20.1255 20.1276 k = 0.4597-0.0030 0.4576 ( 1543 PWs) bands (ev): -7.4694 -7.4693 -6.7377 -6.7376 -3.6674 -3.6673 -1.5261 -1.5258 2.1149 2.1157 2.6998 2.7005 3.1921 3.1931 4.1145 4.1161 4.7112 4.7122 5.6200 5.6207 6.5615 6.5626 7.6264 7.6268 8.5061 8.5062 9.5406 9.5412 10.3152 10.3157 11.4080 11.4081 18.8858 18.8862 19.3219 19.3244 19.8666 19.8681 20.1617 20.1640 k = 0.4516-0.0030 0.4496 ( 1547 PWs) bands (ev): -7.5129 -7.5128 -6.7018 -6.7016 -3.6676 -3.6675 -1.4881 -1.4878 2.0684 2.0692 2.7258 2.7265 3.1869 3.1881 4.1144 4.1162 4.7210 4.7221 5.6289 5.6297 6.5862 6.5875 7.6553 7.6558 8.4590 8.4591 9.4757 9.4764 10.3825 10.3830 11.3612 11.3614 18.9222 18.9229 19.2793 19.2824 19.8393 19.8410 20.1985 20.2010 k = 0.4435-0.0029 0.4416 ( 1545 PWs) bands (ev): -7.5597 -7.5596 -6.6636 -6.6635 -3.6673 -3.6672 -1.4442 -1.4438 2.0203 2.0212 2.7492 2.7498 3.1814 3.1826 4.1161 4.1180 4.7321 4.7333 5.6391 5.6399 6.6140 6.6155 7.6889 7.6895 8.4056 8.4058 9.4103 9.4110 10.4505 10.4511 11.3078 11.3080 18.9456 18.9466 19.2518 19.2555 19.8037 19.8057 20.2340 20.2369 k = 0.4355-0.0029 0.4335 ( 1548 PWs) bands (ev): -7.6092 -7.6091 -6.6239 -6.6238 -3.6665 -3.6663 -1.3949 -1.3944 1.9716 1.9726 2.7686 2.7692 3.1758 3.1770 4.1199 4.1220 4.7444 4.7457 5.6503 5.6512 6.6440 6.6457 7.7266 7.7272 8.3472 8.3474 9.3448 9.3455 10.5187 10.5193 11.2487 11.2490 18.9401 18.9412 19.2542 19.2582 19.7609 19.7632 20.2647 20.2678 k = 0.4274-0.0028 0.4255 ( 1548 PWs) bands (ev): -7.6607 -7.6606 -6.5831 -6.5829 -3.6647 -3.6646 -1.3407 -1.3401 1.9229 1.9240 2.7833 2.7838 3.1708 3.1718 4.1264 4.1285 4.7578 4.7591 5.6626 5.6635 6.6754 6.6773 7.7674 7.7681 8.2855 8.2859 9.2796 9.2803 10.5863 10.5869 11.1852 11.1855 18.9022 18.9033 19.2863 19.2903 19.7152 19.7174 20.2841 20.2876 k = 0.4194-0.0028 0.4175 ( 1551 PWs) bands (ev): -7.7139 -7.7139 -6.5414 -6.5412 -3.6620 -3.6619 -1.2820 -1.2815 1.8747 1.8759 2.7926 2.7928 3.1667 3.1676 4.1357 4.1378 4.7720 4.7733 5.6757 5.6766 6.7070 6.7090 7.8095 7.8103 8.2235 8.2240 9.2149 9.2156 10.6522 10.6529 11.1189 11.1193 18.8429 18.8440 19.3273 19.3314 19.6761 19.6781 20.2830 20.2869 k = 0.4113-0.0027 0.4094 ( 1553 PWs) bands (ev): -7.7685 -7.7684 -6.4991 -6.4989 -3.6581 -3.6579 -1.2197 -1.2190 1.8276 1.8289 2.7958 2.7961 3.1640 3.1648 4.1479 4.1500 4.7871 4.7885 5.6897 5.6906 6.7372 6.7395 7.8487 7.8497 8.1666 8.1672 9.1510 9.1517 10.7143 10.7152 11.0529 11.0535 18.7720 18.7732 19.3480 19.3525 19.6638 19.6651 20.2555 20.2593 k = 0.4032-0.0027 0.4014 ( 1553 PWs) bands (ev): -7.8242 -7.8241 -6.4562 -6.4561 -3.6528 -3.6527 -1.1541 -1.1534 1.7820 1.7833 2.7931 2.7937 3.1628 3.1636 4.1631 4.1652 4.8030 4.8044 5.7045 5.7054 6.7645 6.7669 7.8753 7.8763 8.1260 8.1269 9.0880 9.0887 10.7661 10.7671 10.9946 10.9954 18.6944 18.6957 19.3256 19.3301 19.6957 19.6963 20.2055 20.2091 k = 0.3952-0.0026 0.3934 ( 1552 PWs) bands (ev): -7.8807 -7.8806 -6.4130 -6.4128 -3.6461 -3.6459 -1.0861 -1.0853 1.7383 1.7397 2.7847 2.7856 3.1632 3.1641 4.1811 4.1832 4.8197 4.8210 5.7199 5.7208 6.7867 6.7893 7.8731 7.8741 8.1196 8.1208 9.0261 9.0269 10.7866 10.7878 10.9662 10.9672 18.6126 18.6140 19.2669 19.2713 19.7609 19.7614 20.1415 20.1448 k = 0.3871-0.0026 0.3854 ( 1553 PWs) bands (ev): -7.9379 -7.9378 -6.3694 -6.3692 -3.6378 -3.6376 -1.0162 -1.0154 1.6969 1.6985 2.7714 2.7727 3.1647 3.1658 4.2017 4.2038 4.8369 4.8382 5.7361 5.7369 6.8013 6.8041 7.8410 7.8419 8.1507 8.1519 8.9656 8.9663 10.7556 10.7565 10.9895 10.9903 18.5279 18.5294 19.1886 19.1928 19.8389 19.8398 20.0704 20.0733 k = 0.3790-0.0025 0.3773 ( 1552 PWs) bands (ev): -7.9955 -7.9955 -6.3254 -6.3252 -3.6277 -3.6275 -0.9453 -0.9445 1.6583 1.6600 2.7542 2.7557 3.1670 3.1683 4.2247 4.2267 4.8547 4.8560 5.7529 5.7537 6.8057 6.8085 7.7960 7.7968 8.2041 8.2053 8.9065 8.9072 10.6974 10.6980 11.0410 11.0416 18.4411 18.4426 19.0995 19.1036 19.9101 19.9122 20.0021 20.0045 k = 0.3710-0.0025 0.3693 ( 1550 PWs) bands (ev): -8.0536 -8.0535 -6.2811 -6.2809 -3.6159 -3.6157 -0.8741 -0.8732 1.6229 1.6247 2.7340 2.7359 3.1695 3.1711 4.2496 4.2516 4.8731 4.8743 5.7702 5.7710 6.7972 6.8001 7.7511 7.7518 8.2687 8.2700 8.8493 8.8500 10.6331 10.6336 11.1010 11.1015 18.3527 18.3542 19.0040 19.0079 19.8941 19.8973 20.0104 20.0118 k = 0.3629-0.0024 0.3613 ( 1551 PWs) bands (ev): -8.1119 -8.1118 -6.2365 -6.2363 -3.6022 -3.6020 -0.8035 -0.8026 1.5912 1.5931 2.7120 2.7140 3.1718 3.1735 4.2763 4.2782 4.8918 4.8931 5.7882 5.7890 6.7739 6.7768 7.7121 7.7128 8.3393 8.3405 8.7945 8.7952 10.5701 10.5704 11.1635 11.1640 18.2630 18.2646 18.9039 18.9077 19.8168 19.8196 20.0620 20.0631 k = 0.3548-0.0024 0.3532 ( 1553 PWs) bands (ev): -8.1703 -8.1702 -6.1916 -6.1915 -3.5866 -3.5864 -0.7344 -0.7334 1.5634 1.5654 2.6890 2.6913 3.1734 3.1752 4.3043 4.3061 4.9110 4.9122 5.8066 5.8074 6.7352 6.7381 7.6812 7.6820 8.4122 8.4134 8.7437 8.7442 10.5119 10.5122 11.2266 11.2272 18.1723 18.1739 18.8005 18.8042 19.7334 19.7359 20.0940 20.0951 k = 0.3468-0.0023 0.3452 ( 1560 PWs) bands (ev): -8.2286 -8.2286 -6.1465 -6.1463 -3.5690 -3.5688 -0.6675 -0.6664 1.5400 1.5421 2.6660 2.6685 3.1737 3.1757 4.3333 4.3351 4.9303 4.9315 5.8256 5.8263 6.6820 6.6849 7.6578 7.6587 8.4813 8.4826 8.7016 8.7021 10.4609 10.4611 11.2897 11.2902 18.0807 18.0823 18.6947 18.6982 19.6481 19.6505 20.0983 20.0997 k = 0.3387-0.0022 0.3372 ( 1562 PWs) bands (ev): -8.2869 -8.2868 -6.1010 -6.1008 -3.5495 -3.5493 -0.6039 -0.6028 1.5213 1.5235 2.6441 2.6468 3.1726 3.1747 4.3630 4.3648 4.9499 4.9510 5.8450 5.8457 6.6165 6.6193 7.6398 7.6409 8.5266 8.5282 8.6874 8.6885 10.4190 10.4191 11.3523 11.3528 17.9886 17.9901 18.5870 18.5904 19.5620 19.5643 20.0768 20.0783 k = 0.3306-0.0022 0.3292 ( 1556 PWs) bands (ev): -8.3448 -8.3448 -6.0552 -6.0550 -3.5279 -3.5277 -0.5443 -0.5431 1.5074 1.5097 2.6241 2.6269 3.1696 3.1718 4.3932 4.3949 4.9696 4.9707 5.8647 5.8654 6.5416 6.5443 7.6244 7.6258 8.5194 8.5211 8.7298 8.7314 10.3878 10.3879 11.4141 11.4147 17.8959 17.8975 18.4779 18.4812 19.4756 19.4777 20.0353 20.0371 k = 0.3226-0.0021 0.3211 ( 1557 PWs) bands (ev): -8.4025 -8.4024 -6.0092 -6.0090 -3.5043 -3.5041 -0.4896 -0.4884 1.4982 1.5006 2.6068 2.6098 3.1645 3.1667 4.4235 4.4251 4.9891 4.9902 5.8845 5.8853 6.4600 6.4627 7.6090 7.6104 8.4815 8.4830 8.8070 8.8085 10.3687 10.3688 11.4751 11.4756 17.8029 17.8045 18.3678 18.3710 19.3890 19.3909 19.9798 19.9818 k = 0.3145-0.0021 0.3131 ( 1557 PWs) bands (ev): -8.4597 -8.4596 -5.9629 -5.9627 -3.4787 -3.4785 -0.4406 -0.4393 1.4936 1.4962 2.5932 2.5963 3.1571 3.1592 4.4538 4.4553 5.0086 5.0096 5.9044 5.9052 6.3747 6.3773 7.5910 7.5927 8.4348 8.4362 8.8964 8.8978 10.3625 10.3626 11.5351 11.5357 17.7097 17.7112 18.2570 18.2601 19.3025 19.3043 19.9146 19.9167 k = 0.3065-0.0020 0.3051 ( 1554 PWs) bands (ev): -8.5163 -8.5163 -5.9163 -5.9162 -3.4510 -3.4508 -0.3976 -0.3964 1.4931 1.4957 2.5842 2.5874 3.1471 3.1493 4.4836 4.4851 5.0277 5.0287 5.9236 5.9244 6.2882 6.2907 7.5690 7.5708 8.3856 8.3868 8.9918 8.9931 10.3698 10.3698 11.5941 11.5947 17.6163 17.6178 18.1458 18.1487 19.2162 19.2180 19.8424 19.8446 k = 0.2984-0.0020 0.2970 ( 1555 PWs) bands (ev): -8.5724 -8.5723 -5.8696 -5.8694 -3.4213 -3.4211 -0.3611 -0.3599 1.4959 1.4986 2.5805 2.5838 3.1346 3.1368 4.5129 4.5142 5.0463 5.0474 5.9408 5.9417 6.2036 6.2061 7.5418 7.5437 8.3357 8.3368 9.0914 9.0927 10.3905 10.3905 11.6521 11.6526 17.5229 17.5244 18.0345 18.0372 19.1303 19.1320 19.7652 19.7674 k = 0.2903-0.0019 0.2890 ( 1555 PWs) bands (ev): -8.6277 -8.6277 -5.8226 -5.8224 -3.3895 -3.3893 -0.3312 -0.3299 1.5010 1.5037 2.5827 2.5860 3.1198 3.1220 4.5412 4.5424 5.0643 5.0654 5.9519 5.9529 6.1266 6.1290 7.5090 7.5110 8.2862 8.2872 9.1946 9.1959 10.4242 10.4242 11.7089 11.7095 17.4296 17.4311 17.9232 17.9258 19.0448 19.0464 19.6841 19.6864 k = 0.2823-0.0019 0.2810 ( 1557 PWs) bands (ev): -8.6823 -8.6822 -5.7755 -5.7754 -3.3557 -3.3555 -0.3077 -0.3065 1.5071 1.5098 2.5909 2.5942 3.1032 3.1054 4.5683 4.5694 5.0815 5.0827 5.9426 5.9444 6.0726 6.0746 7.4707 7.4728 8.2377 8.2388 9.3010 9.3022 10.4700 10.4701 11.7646 11.7652 17.3365 17.3379 17.8122 17.8147 18.9598 18.9613 19.6003 19.6026 k = 0.2742-0.0018 0.2730 ( 1554 PWs) bands (ev): -8.7360 -8.7359 -5.7283 -5.7281 -3.3199 -3.3197 -0.2904 -0.2892 1.5130 1.5157 2.6046 2.6078 3.0859 3.0881 4.5939 4.5948 5.0978 5.0991 5.8964 5.8990 6.0592 6.0610 7.4273 7.4296 8.1910 8.1920 9.4103 9.4114 10.5271 10.5271 11.8192 11.8197 17.2437 17.2450 17.7017 17.7042 18.8753 18.8767 19.5143 19.5167 k = 0.2661-0.0018 0.2649 ( 1553 PWs) bands (ev): -8.7888 -8.7887 -5.6811 -5.6809 -3.2820 -3.2819 -0.2788 -0.2776 1.5176 1.5201 2.6219 2.6249 3.0701 3.0722 4.6175 4.6184 5.1130 5.1144 5.8311 5.8340 6.0698 6.0715 7.3797 7.3820 8.1465 8.1474 9.5224 9.5234 10.5942 10.5942 11.8726 11.8732 17.1513 17.1526 17.5920 17.5943 18.7914 18.7927 19.4268 19.4292 k = 0.2581-0.0017 0.2569 ( 1554 PWs) bands (ev): -8.8406 -8.8405 -5.6338 -5.6336 -3.2422 -3.2420 -0.2723 -0.2712 1.5198 1.5223 2.6392 2.6418 3.0593 3.0614 4.6389 4.6396 5.1270 5.1285 5.7635 5.7665 6.0880 6.0897 7.3288 7.3312 8.1046 8.1054 9.6370 9.6379 10.6700 10.6701 11.9249 11.9255 17.0594 17.0607 17.4831 17.4853 18.7080 18.7093 19.3381 19.3405 k = 0.2500-0.0017 0.2489 ( 1553 PWs) bands (ev): -8.8913 -8.8913 -5.5866 -5.5864 -3.2003 -3.2001 -0.2704 -0.2693 1.5190 1.5214 2.6508 2.6530 3.0589 3.0610 4.6573 4.6580 5.1398 5.1414 5.6990 5.7022 6.1090 6.1107 7.2759 7.2784 8.0655 8.0662 9.7539 9.7548 10.7536 10.7537 11.9761 11.9767 16.9682 16.9694 17.3752 17.3773 18.6253 18.6265 19.2486 19.2510 k = 0.2419-0.0016 0.2408 ( 1553 PWs) bands (ev): -8.9409 -8.9409 -5.5395 -5.5394 -3.1564 -3.1562 -0.2723 -0.2713 1.5148 1.5170 2.6505 2.6521 3.0747 3.0770 4.6724 4.6731 5.1512 5.1530 5.6397 5.6430 6.1311 6.1329 7.2224 7.2250 8.0294 8.0300 9.8729 9.8737 10.8436 10.8437 12.0262 12.0268 16.8777 16.8789 17.2686 17.2706 18.5432 18.5444 19.1585 19.1609 k = 0.2339-0.0016 0.2328 ( 1552 PWs) bands (ev): -8.9894 -8.9893 -5.4927 -5.4925 -3.1104 -3.1103 -0.2775 -0.2765 1.5069 1.5089 2.6343 2.6355 3.1098 3.1123 4.6833 4.6841 5.1613 5.1634 5.5864 5.5898 6.1538 6.1556 7.1697 7.1724 7.9962 7.9968 9.9938 9.9945 10.9391 10.9392 12.0754 12.0760 16.7881 16.7892 17.1633 17.1652 18.4618 18.4629 19.0680 19.0704 k = 0.2258-0.0015 0.2248 ( 1552 PWs) bands (ev): -9.0366 -9.0366 -5.4461 -5.4459 -3.0625 -3.0623 -0.2854 -0.2844 1.4953 1.4971 2.6029 2.6039 3.1630 3.1656 4.6895 4.6903 5.1703 5.1726 5.5397 5.5433 6.1768 6.1786 7.1191 7.1219 7.9661 7.9666 10.1162 10.1169 11.0391 11.0392 12.1237 12.1243 16.6994 16.7005 17.0595 17.0613 18.3810 18.3821 18.9772 18.9796 k = 0.2177-0.0014 0.2168 ( 1548 PWs) bands (ev): -9.0825 -9.0825 -5.3999 -5.3997 -3.0125 -3.0124 -0.2955 -0.2946 1.4797 1.4814 2.5597 2.5607 3.2303 3.2330 4.6900 4.6909 5.1784 5.1808 5.5000 5.5036 6.1997 6.2016 7.0720 7.0747 7.9390 7.9394 10.2399 10.2405 11.1426 11.1429 12.1712 12.1718 16.6119 16.6130 16.9574 16.9591 18.3010 18.3021 18.8863 18.8887 k = 0.2097-0.0014 0.2087 ( 1546 PWs) bands (ev): -9.1271 -9.1271 -5.3542 -5.3540 -2.9606 -2.9604 -0.3073 -0.3064 1.4601 1.4616 2.5084 2.5094 3.3078 3.3105 4.6841 4.6852 5.1857 5.1882 5.4674 5.4711 6.2225 6.2243 7.0293 7.0321 7.9147 7.9151 10.3646 10.3651 11.2489 11.2492 12.2182 12.2188 16.5256 16.5266 16.8570 16.8586 18.2217 18.2228 18.7952 18.7976 k = 0.2016-0.0013 0.2007 ( 1544 PWs) bands (ev): -9.1704 -9.1704 -5.3090 -5.3088 -2.9066 -2.9064 -0.3203 -0.3195 1.4361 1.4374 2.4521 2.4531 3.3922 3.3949 4.6712 4.6724 5.1925 5.1952 5.4421 5.4458 6.2449 6.2468 6.9921 6.9949 7.8933 7.8937 10.4899 10.4904 11.3571 11.3574 12.2648 12.2653 16.4406 16.4416 16.7585 16.7600 18.1433 18.1443 18.7041 18.7064 k = 0.1935-0.0013 0.1927 ( 1544 PWs) bands (ev): -9.2123 -9.2122 -5.2645 -5.2643 -2.8505 -2.8504 -0.3343 -0.3335 1.4071 1.4083 2.3934 2.3944 3.4808 3.4834 4.6508 4.6521 5.1992 5.2018 5.4239 5.4276 6.2669 6.2687 6.9611 6.9638 7.8746 7.8750 10.6156 10.6160 11.4663 11.4667 12.3113 12.3119 16.3570 16.3579 16.6620 16.6634 18.0657 18.0667 18.6130 18.6152 k = 0.1855-0.0012 0.1846 ( 1543 PWs) bands (ev): -9.2527 -9.2526 -5.2208 -5.2206 -2.7924 -2.7923 -0.3489 -0.3482 1.3726 1.3737 2.3348 2.3358 3.5714 3.5740 4.6229 4.6242 5.2062 5.2087 5.4127 5.4162 6.2883 6.2900 6.9368 6.9394 7.8586 7.8589 10.7412 10.7416 11.5755 11.5760 12.3582 12.3588 16.2749 16.2758 16.5677 16.5691 17.9890 17.9900 18.5219 18.5241 k = 0.1774-0.0012 0.1766 ( 1541 PWs) bands (ev): -9.2916 -9.2916 -5.1779 -5.1778 -2.7323 -2.7322 -0.3639 -0.3632 1.3318 1.3327 2.2784 2.2794 3.6622 3.6648 4.5877 4.5891 5.2138 5.2161 5.4078 5.4112 6.3090 6.3106 6.9194 6.9219 7.8452 7.8454 10.8665 10.8669 11.6839 11.6844 12.4060 12.4065 16.1944 16.1952 16.4757 16.4770 17.9133 17.9142 18.4310 18.4331 k = 0.1694-0.0011 0.1686 ( 1541 PWs) bands (ev): -9.3290 -9.3290 -5.1361 -5.1359 -2.6702 -2.6700 -0.3791 -0.3783 1.2838 1.2846 2.2260 2.2270 3.7512 3.7538 4.5460 4.5474 5.2225 5.2245 5.4087 5.4118 6.3289 6.3304 6.9090 6.9114 7.8342 7.8345 10.9910 10.9914 11.7901 11.7908 12.4555 12.4560 16.1155 16.1163 16.3863 16.3875 17.8386 17.8395 18.3404 18.3424 k = 0.1613-0.0011 0.1606 ( 1541 PWs) bands (ev): -9.3648 -9.3648 -5.0953 -5.0951 -2.6059 -2.6058 -0.3941 -0.3934 1.2281 1.2288 2.1794 2.1804 3.8365 3.8391 4.4991 4.5005 5.2327 5.2345 5.4145 5.4173 6.3480 6.3494 6.9053 6.9075 7.8257 7.8259 11.1143 11.1147 11.8928 11.8936 12.5077 12.5082 16.0383 16.0390 16.2994 16.3006 17.7651 17.7660 18.2502 18.2521 k = 0.1532-0.0010 0.1525 ( 1539 PWs) bands (ev): -9.3991 -9.3991 -5.0558 -5.0556 -2.5396 -2.5395 -0.4090 -0.4083 1.1643 1.1649 2.1397 2.1406 3.9156 3.9182 4.4491 4.4506 5.2447 5.2462 5.4244 5.4270 6.3664 6.3675 6.9079 6.9100 7.8195 7.8198 11.2361 11.2366 11.9904 11.9913 12.5638 12.5642 15.9627 15.9634 16.2155 16.2166 17.6927 17.6937 18.1606 18.1624 k = 0.1452-0.0010 0.1445 ( 1538 PWs) bands (ev): -9.4318 -9.4318 -5.0175 -5.0174 -2.4713 -2.4712 -0.4236 -0.4229 1.0925 1.0931 2.1074 2.1083 3.9845 3.9871 4.3998 4.4014 5.2588 5.2601 5.4377 5.4401 6.3839 6.3849 6.9165 6.9183 7.8156 7.8158 11.3560 11.3564 12.0812 12.0822 12.6252 12.6255 15.8888 15.8895 16.1346 16.1357 17.6218 17.6227 18.0719 18.0737 k = 0.1371-0.0009 0.1365 ( 1534 PWs) bands (ev): -9.4628 -9.4628 -4.9807 -4.9806 -2.4009 -2.4008 -0.4377 -0.4371 1.0132 1.0137 2.0829 2.0837 4.0357 4.0384 4.3588 4.3606 5.2750 5.2760 5.4540 5.4561 6.4006 6.4015 6.9302 6.9318 7.8139 7.8142 11.4734 11.4739 12.1635 12.1646 12.6930 12.6933 15.8166 15.8172 16.0570 16.0580 17.5522 17.5531 17.9846 17.9862 k = 0.1290-0.0009 0.1285 ( 1532 PWs) bands (ev): -9.4922 -9.4922 -4.9455 -4.9453 -2.3285 -2.3284 -0.4512 -0.4507 0.9271 0.9276 2.0658 2.0665 4.0569 4.0594 4.3388 4.3407 5.2930 5.2939 5.4727 5.4746 6.4166 6.4173 6.9485 6.9499 7.8144 7.8146 11.5878 11.5884 12.2362 12.2375 12.7679 12.7682 15.7460 15.7466 15.9830 15.9839 17.4842 17.4851 17.8989 17.9003 k = 0.1210-0.0008 0.1204 ( 1533 PWs) bands (ev): -9.5199 -9.5199 -4.9118 -4.9117 -2.2541 -2.2540 -0.4642 -0.4637 0.8352 0.8356 2.0557 2.0563 4.0396 4.0417 4.3487 4.3504 5.3126 5.3134 5.4935 5.4952 6.4317 6.4324 6.9705 6.9717 7.8169 7.8171 11.6989 11.6996 12.2993 12.3006 12.8497 12.8500 15.6771 15.6777 15.9126 15.9135 17.4179 17.4187 17.8152 17.8165 k = 0.1129-0.0007 0.1124 ( 1532 PWs) bands (ev): -9.5459 -9.5459 -4.8799 -4.8798 -2.1777 -2.1776 -0.4765 -0.4760 0.7386 0.7389 2.0519 2.0525 3.9936 3.9952 4.3792 4.3807 5.3333 5.3340 5.5162 5.5176 6.4462 6.4468 6.9955 6.9966 7.8213 7.8215 11.8062 11.8069 12.3532 12.3546 12.9373 12.9375 15.6100 15.6105 15.8462 15.8470 17.3535 17.3543 17.7342 17.7353 k = 0.1048-0.0007 0.1044 ( 1535 PWs) bands (ev): -9.5702 -9.5702 -4.8498 -4.8497 -2.0994 -2.0993 -0.4881 -0.4876 0.6382 0.6385 2.0538 2.0543 3.9328 3.9341 4.4169 4.4183 5.3545 5.3551 5.5404 5.5417 6.4599 6.4604 7.0228 7.0237 7.8276 7.8279 11.9090 11.9098 12.3991 12.4006 13.0290 13.0292 15.5446 15.5451 15.7838 15.7846 17.2913 17.2921 17.6562 17.6572 k = 0.0968-0.0006 0.0963 ( 1539 PWs) bands (ev): -9.5928 -9.5928 -4.8216 -4.8215 -2.0192 -2.0192 -0.4989 -0.4985 0.5349 0.5352 2.0606 2.0611 3.8654 3.8665 4.4546 4.4559 5.3756 5.3761 5.5659 5.5670 6.4729 6.4733 7.0516 7.0524 7.8357 7.8359 12.0069 12.0079 12.4383 12.4399 13.1228 13.1230 15.4813 15.4817 15.7257 15.7264 17.2313 17.2321 17.5817 17.5827 k = 0.0887-0.0006 0.0883 ( 1538 PWs) bands (ev): -9.6136 -9.6136 -4.7954 -4.7952 -1.9374 -1.9373 -0.5090 -0.5086 0.4296 0.4299 2.0718 2.0723 3.7952 3.7962 4.4896 4.4908 5.3960 5.3965 5.5922 5.5932 6.4850 6.4855 7.0811 7.0817 7.8454 7.8456 12.0995 12.1005 12.4720 12.4737 13.2172 13.2173 15.4202 15.4205 15.6718 15.6725 17.1742 17.1749 17.5115 17.5123 k = 0.0806-0.0005 0.0803 ( 1538 PWs) bands (ev): -9.6326 -9.6326 -4.7712 -4.7711 -1.8540 -1.8539 -0.5182 -0.5178 0.3231 0.3233 2.0866 2.0871 3.7247 3.7255 4.5208 4.5218 5.4153 5.4158 5.6188 5.6196 6.4964 6.4968 7.1105 7.1110 7.8565 7.8567 12.1860 12.1872 12.5011 12.5029 13.3102 13.3104 15.3617 15.3621 15.6223 15.6229 17.1200 17.1207 17.4458 17.4465 k = 0.0726-0.0005 0.0723 ( 1539 PWs) bands (ev): -9.6499 -9.6499 -4.7491 -4.7490 -1.7691 -1.7691 -0.5266 -0.5262 0.2161 0.2163 2.1044 2.1048 3.6553 3.6560 4.5479 4.5488 5.4331 5.4336 5.6451 5.6458 6.5068 6.5073 7.1390 7.1395 7.8686 7.8689 12.2660 12.2674 12.5263 12.5282 13.4005 13.4007 15.3063 15.3066 15.5771 15.5777 17.0693 17.0699 17.3851 17.3857 k = 0.0645-0.0004 0.0642 ( 1540 PWs) bands (ev): -9.6654 -9.6654 -4.7292 -4.7291 -1.6832 -1.6832 -0.5341 -0.5338 0.1094 0.1096 2.1245 2.1249 3.5882 3.5889 4.5711 4.5719 5.4493 5.4497 5.6705 5.6710 6.5164 6.5168 7.1661 7.1665 7.8816 7.8818 12.3389 12.3405 12.5483 12.5503 13.4866 13.4868 15.2544 15.2547 15.5364 15.5369 17.0224 17.0230 17.3299 17.3304 k = 0.0565-0.0004 0.0562 ( 1540 PWs) bands (ev): -9.6791 -9.6791 -4.7116 -4.7115 -1.5967 -1.5966 -0.5408 -0.5405 0.0038 0.0039 2.1460 2.1464 3.5246 3.5252 4.5907 4.5914 5.4637 5.4640 5.6942 5.6947 6.5250 6.5253 7.1912 7.1915 7.8949 7.8951 12.4042 12.4060 12.5674 12.5697 13.5671 13.5673 15.2067 15.2069 15.5000 15.5005 16.9799 16.9804 17.2804 17.2808 k = 0.0484-0.0003 0.0482 ( 1542 PWs) bands (ev): -9.6910 -9.6910 -4.6962 -4.6961 -1.5102 -1.5101 -0.5466 -0.5463 -0.0999 -0.0997 2.1682 2.1685 3.4655 3.4661 4.6069 4.6075 5.4762 5.4765 5.7158 5.7162 6.5325 6.5328 7.2137 7.2139 7.9081 7.9083 12.4610 12.4631 12.5843 12.5868 13.6407 13.6408 15.1636 15.1638 15.4680 15.4685 16.9421 16.9426 17.2369 17.2372 k = 0.0403-0.0003 0.0401 ( 1541 PWs) bands (ev): -9.7010 -9.7010 -4.6831 -4.6830 -1.4246 -1.4245 -0.5515 -0.5513 -0.2002 -0.2001 2.1900 2.1903 3.4123 3.4127 4.6200 4.6205 5.4868 5.4871 5.7349 5.7352 6.5390 6.5392 7.2332 7.2334 7.9206 7.9208 12.5086 12.5111 12.5995 12.6023 13.7060 13.7061 15.1259 15.1260 15.4407 15.4410 16.9095 16.9099 17.1997 17.2000 k = 0.0323-0.0002 0.0321 ( 1546 PWs) bands (ev): -9.7093 -9.7093 -4.6723 -4.6723 -1.3418 -1.3417 -0.5556 -0.5555 -0.2953 -0.2952 2.2104 2.2106 3.3661 3.3664 4.6304 4.6308 5.4955 5.4958 5.7509 5.7511 6.5443 6.5445 7.2494 7.2496 7.9319 7.9320 12.5459 12.5486 12.6140 12.6169 13.7616 13.7617 15.0940 15.0941 15.4179 15.4182 16.8823 16.8826 17.1689 17.1692 k = 0.0242-0.0002 0.0241 ( 1547 PWs) bands (ev): -9.7157 -9.7157 -4.6639 -4.6639 -1.2646 -1.2646 -0.5589 -0.5588 -0.3821 -0.3820 2.2280 2.2282 3.3282 3.3285 4.6383 4.6386 5.5023 5.5025 5.7636 5.7638 6.5485 6.5487 7.2623 7.2624 7.9413 7.9414 12.5724 12.5749 12.6284 12.6311 13.8064 13.8065 15.0685 15.0686 15.4000 15.4003 16.8609 16.8611 17.1449 17.1450 k = 0.0161-0.0001 0.0161 ( 1549 PWs) bands (ev): -9.7203 -9.7203 -4.6579 -4.6579 -1.1982 -1.1982 -0.5616 -0.5615 -0.4552 -0.4551 2.2417 2.2418 3.3000 3.3002 4.6438 4.6439 5.5072 5.5073 5.7729 5.7730 6.5515 6.5517 7.2715 7.2716 7.9485 7.9485 12.5888 12.5906 12.6420 12.6438 13.8394 13.8394 15.0500 15.0500 15.3871 15.3872 16.8454 16.8456 17.1275 17.1277 k = 0.0081-0.0001 0.0080 ( 1549 PWs) bands (ev): -9.7231 -9.7231 -4.6543 -4.6543 -1.1510 -1.1509 -0.5639 -0.5638 -0.5057 -0.5057 2.2505 2.2505 3.2826 3.2827 4.6470 4.6471 5.5101 5.5102 5.7785 5.7785 6.5534 6.5534 7.2771 7.2771 7.9529 7.9530 12.5975 12.5983 12.6519 12.6528 13.8595 13.8595 15.0387 15.0387 15.3793 15.3794 16.8361 16.8362 17.1171 17.1172 k = 0.0000 0.0000 0.0000 ( 1551 PWs) bands (ev): -9.7240 -9.7240 -4.6531 -4.6531 -1.1334 -1.1334 -0.5652 -0.5652 -0.5237 -0.5237 2.2535 2.2535 3.2767 3.2767 4.6481 4.6481 5.5111 5.5111 5.7804 5.7804 6.5540 6.5540 7.2790 7.2790 7.9545 7.9545 12.6004 12.6004 12.6556 12.6556 13.8663 13.8663 15.0349 15.0349 15.3767 15.3767 16.8330 16.8330 17.1137 17.1137 Writing output data file BC2N.save init_run : 1.21s CPU 9.95s WALL ( 1 calls) electrons : 363.56s CPU 370.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.37s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 363.42s CPU 369.92s WALL ( 1 calls) v_of_rho : 0.16s CPU 0.81s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.14s CPU 0.49s WALL ( 1 calls) newd : 0.09s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.19s WALL ( 411 calls) cegterg : 338.40s CPU 341.64s WALL ( 943 calls) Called by sum_band: Called by *egterg: h_psi : 124.34s CPU 132.16s WALL ( 16923 calls) s_psi : 8.74s CPU 10.02s WALL ( 16923 calls) g_psi : 0.16s CPU 0.30s WALL ( 15569 calls) cdiaghg : 164.89s CPU 162.23s WALL ( 15980 calls) cegterg:over : 25.96s CPU 22.42s WALL ( 15569 calls) cegterg:upda : 1.69s CPU 4.20s WALL ( 15569 calls) cegterg:last : 2.09s CPU 2.83s WALL ( 2176 calls) Called by h_psi: h_psi:vloc : 93.88s CPU 101.74s WALL ( 16923 calls) h_psi:vnl : 30.37s CPU 30.14s WALL ( 16923 calls) add_vuspsi : 5.21s CPU 8.31s WALL ( 16923 calls) General routines calbec : 25.12s CPU 21.65s WALL ( 16923 calls) fft : 0.21s CPU 1.73s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 89.38s CPU 97.32s WALL ( 1083736 calls) interpolate : 0.06s CPU 0.16s WALL ( 4 calls) davcio : 0.03s CPU 0.85s WALL ( 822 calls) Parallel routines fft_scatter : 61.36s CPU 69.16s WALL ( 1083759 calls) PWSCF : 6m40.04s CPU 7m57.67s WALL This run was terminated on: 7:48:19 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=