Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 43 12 2677 1293 199 Max 71 44 13 2680 1308 204 Sum 2533 1565 439 96433 46807 7235 bravais-lattice index = 14 lattice parameter (alat) = 9.9400 a.u. unit-cell volume = 979.5688 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.939959 celldm(2)= 0.990494 celldm(3)= 1.020913 celldm(4)= 0.164531 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.990494 0.000000 ) a(3) = ( 0.000000 0.167972 1.006999 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.009597 -0.168405 ) b(3) = ( 0.000000 0.000000 0.993049 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0839860 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5034997 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0839860 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5034997 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0165508), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0331016), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0496525), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0662033), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.0827541), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.0993049), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.1158557), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1324066), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1489574), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.1655082), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.1820590), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.1986098), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.2151607), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.2317115), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.2482623), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.2648131), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.2813639), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.2979148), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.3144656), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.3310164), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.3475672), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.3641180), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.3806689), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.3972197), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.4137705), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.4303213), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.4468721), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.4634230), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.4799738), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.4965246), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.4965246), wk = 0.0035842 k( 33) = ( 0.0000000 0.0161489 0.4965246), wk = 0.0035842 k( 34) = ( 0.0000000 0.0322979 0.4965246), wk = 0.0035842 k( 35) = ( 0.0000000 0.0484468 0.4965246), wk = 0.0035842 k( 36) = ( 0.0000000 0.0645958 0.4965246), wk = 0.0035842 k( 37) = ( 0.0000000 0.0807447 0.4965246), wk = 0.0035842 k( 38) = ( 0.0000000 0.0968936 0.4965246), wk = 0.0035842 k( 39) = ( 0.0000000 0.1130426 0.4965246), wk = 0.0035842 k( 40) = ( 0.0000000 0.1291915 0.4965246), wk = 0.0035842 k( 41) = ( 0.0000000 0.1453404 0.4965246), wk = 0.0035842 k( 42) = ( 0.0000000 0.1614894 0.4965246), wk = 0.0035842 k( 43) = ( 0.0000000 0.1776383 0.4965246), wk = 0.0035842 k( 44) = ( 0.0000000 0.1937873 0.4965246), wk = 0.0035842 k( 45) = ( 0.0000000 0.2099362 0.4965246), wk = 0.0035842 k( 46) = ( 0.0000000 0.2260851 0.4965246), wk = 0.0035842 k( 47) = ( 0.0000000 0.2422341 0.4965246), wk = 0.0035842 k( 48) = ( 0.0000000 0.2583830 0.4965246), wk = 0.0035842 k( 49) = ( 0.0000000 0.2745320 0.4965246), wk = 0.0035842 k( 50) = ( 0.0000000 0.2906809 0.4965246), wk = 0.0035842 k( 51) = ( 0.0000000 0.3068298 0.4965246), wk = 0.0035842 k( 52) = ( 0.0000000 0.3229788 0.4965246), wk = 0.0035842 k( 53) = ( 0.0000000 0.3391277 0.4965246), wk = 0.0035842 k( 54) = ( 0.0000000 0.3552766 0.4965246), wk = 0.0035842 k( 55) = ( 0.0000000 0.3714256 0.4965246), wk = 0.0035842 k( 56) = ( 0.0000000 0.3875745 0.4965246), wk = 0.0035842 k( 57) = ( 0.0000000 0.4037235 0.4965246), wk = 0.0035842 k( 58) = ( 0.0000000 0.4198724 0.4965246), wk = 0.0035842 k( 59) = ( 0.0000000 0.4360213 0.4965246), wk = 0.0035842 k( 60) = ( 0.0000000 0.4360213 0.4965246), wk = 0.0035842 k( 61) = ( 0.0000000 0.4458466 0.4844957), wk = 0.0035842 k( 62) = ( 0.0000000 0.4556720 0.4724667), wk = 0.0035842 k( 63) = ( 0.0000000 0.4654972 0.4604378), wk = 0.0035842 k( 64) = ( 0.0000000 0.4753226 0.4484088), wk = 0.0035842 k( 65) = ( 0.0000000 0.4851479 0.4363799), wk = 0.0035842 k( 66) = ( 0.0000000 0.4949732 0.4243509), wk = 0.0035842 k( 67) = ( 0.0000000 0.5047985 0.4123220), wk = 0.0035842 k( 68) = ( 0.0000000 0.5047985 0.4123220), wk = 0.0035842 k( 69) = ( 0.0166667 0.5047985 0.4123220), wk = 0.0035842 k( 70) = ( 0.0333333 0.5047985 0.4123220), wk = 0.0035842 k( 71) = ( 0.0500000 0.5047985 0.4123220), wk = 0.0035842 k( 72) = ( 0.0666667 0.5047985 0.4123220), wk = 0.0035842 k( 73) = ( 0.0833333 0.5047985 0.4123220), wk = 0.0035842 k( 74) = ( 0.1000000 0.5047985 0.4123220), wk = 0.0035842 k( 75) = ( 0.1166667 0.5047985 0.4123220), wk = 0.0035842 k( 76) = ( 0.1333333 0.5047985 0.4123220), wk = 0.0035842 k( 77) = ( 0.1500000 0.5047985 0.4123220), wk = 0.0035842 k( 78) = ( 0.1666667 0.5047985 0.4123220), wk = 0.0035842 k( 79) = ( 0.1833333 0.5047985 0.4123220), wk = 0.0035842 k( 80) = ( 0.2000000 0.5047985 0.4123220), wk = 0.0035842 k( 81) = ( 0.2166667 0.5047985 0.4123220), wk = 0.0035842 k( 82) = ( 0.2333333 0.5047985 0.4123220), wk = 0.0035842 k( 83) = ( 0.2500000 0.5047985 0.4123220), wk = 0.0035842 k( 84) = ( 0.2666667 0.5047985 0.4123220), wk = 0.0035842 k( 85) = ( 0.2833333 0.5047985 0.4123220), wk = 0.0035842 k( 86) = ( 0.3000000 0.5047985 0.4123220), wk = 0.0035842 k( 87) = ( 0.3166667 0.5047985 0.4123220), wk = 0.0035842 k( 88) = ( 0.3333333 0.5047985 0.4123220), wk = 0.0035842 k( 89) = ( 0.3500000 0.5047985 0.4123220), wk = 0.0035842 k( 90) = ( 0.3666667 0.5047985 0.4123220), wk = 0.0035842 k( 91) = ( 0.3833333 0.5047985 0.4123220), wk = 0.0035842 k( 92) = ( 0.4000000 0.5047985 0.4123220), wk = 0.0035842 k( 93) = ( 0.4166667 0.5047985 0.4123220), wk = 0.0035842 k( 94) = ( 0.4333333 0.5047985 0.4123220), wk = 0.0035842 k( 95) = ( 0.4500000 0.5047985 0.4123220), wk = 0.0035842 k( 96) = ( 0.4666667 0.5047985 0.4123220), wk = 0.0035842 k( 97) = ( 0.4833333 0.5047985 0.4123220), wk = 0.0035842 k( 98) = ( 0.5000000 0.5047985 0.4123220), wk = 0.0035842 k( 99) = ( 0.5000000 0.5047985 0.4123220), wk = 0.0035842 k( 100) = ( 0.5000000 0.5146238 0.4002931), wk = 0.0035842 k( 101) = ( 0.5000000 0.5244491 0.3882641), wk = 0.0035842 k( 102) = ( 0.5000000 0.5342744 0.3762352), wk = 0.0035842 k( 103) = ( 0.5000000 0.5440997 0.3642062), wk = 0.0035842 k( 104) = ( 0.5000000 0.5539250 0.3521773), wk = 0.0035842 k( 105) = ( 0.5000000 0.5637503 0.3401484), wk = 0.0035842 k( 106) = ( 0.5000000 0.5735756 0.3281194), wk = 0.0035842 k( 107) = ( 0.5000000 0.5735756 0.3281194), wk = 0.0035842 k( 108) = ( 0.5000000 0.5708245 0.3116265), wk = 0.0035842 k( 109) = ( 0.5000000 0.5680734 0.2951336), wk = 0.0035842 k( 110) = ( 0.5000000 0.5653223 0.2786408), wk = 0.0035842 k( 111) = ( 0.5000000 0.5625712 0.2621479), wk = 0.0035842 k( 112) = ( 0.5000000 0.5598202 0.2456550), wk = 0.0035842 k( 113) = ( 0.5000000 0.5570691 0.2291621), wk = 0.0035842 k( 114) = ( 0.5000000 0.5543180 0.2126692), wk = 0.0035842 k( 115) = ( 0.5000000 0.5515669 0.1961764), wk = 0.0035842 k( 116) = ( 0.5000000 0.5488158 0.1796835), wk = 0.0035842 k( 117) = ( 0.5000000 0.5460647 0.1631906), wk = 0.0035842 k( 118) = ( 0.5000000 0.5433136 0.1466977), wk = 0.0035842 k( 119) = ( 0.5000000 0.5405626 0.1302048), wk = 0.0035842 k( 120) = ( 0.5000000 0.5378115 0.1137120), wk = 0.0035842 k( 121) = ( 0.5000000 0.5350604 0.0972191), wk = 0.0035842 k( 122) = ( 0.5000000 0.5323093 0.0807262), wk = 0.0035842 k( 123) = ( 0.5000000 0.5295582 0.0642333), wk = 0.0035842 k( 124) = ( 0.5000000 0.5268071 0.0477404), wk = 0.0035842 k( 125) = ( 0.5000000 0.5240561 0.0312476), wk = 0.0035842 k( 126) = ( 0.5000000 0.5213050 0.0147547), wk = 0.0035842 k( 127) = ( 0.5000000 0.5185539 -0.0017382), wk = 0.0035842 k( 128) = ( 0.5000000 0.5158028 -0.0182311), wk = 0.0035842 k( 129) = ( 0.5000000 0.5130517 -0.0347240), wk = 0.0035842 k( 130) = ( 0.5000000 0.5103006 -0.0512168), wk = 0.0035842 k( 131) = ( 0.5000000 0.5075495 -0.0677097), wk = 0.0035842 k( 132) = ( 0.5000000 0.5047985 -0.0842026), wk = 0.0035842 k( 133) = ( 0.5000000 0.5047985 -0.0842026), wk = 0.0035842 k( 134) = ( 0.4833333 0.5047985 -0.0842026), wk = 0.0035842 k( 135) = ( 0.4666667 0.5047985 -0.0842026), wk = 0.0035842 k( 136) = ( 0.4500000 0.5047985 -0.0842026), wk = 0.0035842 k( 137) = ( 0.4333333 0.5047985 -0.0842026), wk = 0.0035842 k( 138) = ( 0.4166667 0.5047985 -0.0842026), wk = 0.0035842 k( 139) = ( 0.4000000 0.5047985 -0.0842026), wk = 0.0035842 k( 140) = ( 0.3833333 0.5047985 -0.0842026), wk = 0.0035842 k( 141) = ( 0.3666667 0.5047985 -0.0842026), wk = 0.0035842 k( 142) = ( 0.3500000 0.5047985 -0.0842026), wk = 0.0035842 k( 143) = ( 0.3333333 0.5047985 -0.0842026), wk = 0.0035842 k( 144) = ( 0.3166667 0.5047985 -0.0842026), wk = 0.0035842 k( 145) = ( 0.3000000 0.5047985 -0.0842026), wk = 0.0035842 k( 146) = ( 0.2833333 0.5047985 -0.0842026), wk = 0.0035842 k( 147) = ( 0.2666667 0.5047985 -0.0842026), wk = 0.0035842 k( 148) = ( 0.2500000 0.5047985 -0.0842026), wk = 0.0035842 k( 149) = ( 0.2333333 0.5047985 -0.0842026), wk = 0.0035842 k( 150) = ( 0.2166667 0.5047985 -0.0842026), wk = 0.0035842 k( 151) = ( 0.2000000 0.5047985 -0.0842026), wk = 0.0035842 k( 152) = ( 0.1833333 0.5047985 -0.0842026), wk = 0.0035842 k( 153) = ( 0.1666667 0.5047985 -0.0842026), wk = 0.0035842 k( 154) = ( 0.1500000 0.5047985 -0.0842026), wk = 0.0035842 k( 155) = ( 0.1333333 0.5047985 -0.0842026), wk = 0.0035842 k( 156) = ( 0.1166667 0.5047985 -0.0842026), wk = 0.0035842 k( 157) = ( 0.1000000 0.5047985 -0.0842026), wk = 0.0035842 k( 158) = ( 0.0833333 0.5047985 -0.0842026), wk = 0.0035842 k( 159) = ( 0.0666667 0.5047985 -0.0842026), wk = 0.0035842 k( 160) = ( 0.0500000 0.5047985 -0.0842026), wk = 0.0035842 k( 161) = ( 0.0333333 0.5047985 -0.0842026), wk = 0.0035842 k( 162) = ( 0.0166667 0.5047985 -0.0842026), wk = 0.0035842 k( 163) = ( 0.0000000 0.5047985 -0.0842026), wk = 0.0035842 k( 164) = ( 0.0000000 0.5047985 -0.0842026), wk = 0.0035842 k( 165) = ( 0.0000000 0.5075495 -0.0677097), wk = 0.0035842 k( 166) = ( 0.0000000 0.5103006 -0.0512168), wk = 0.0035842 k( 167) = ( 0.0000000 0.5130517 -0.0347240), wk = 0.0035842 k( 168) = ( 0.0000000 0.5158028 -0.0182311), wk = 0.0035842 k( 169) = ( 0.0000000 0.5185539 -0.0017382), wk = 0.0035842 k( 170) = ( 0.0000000 0.5213050 0.0147547), wk = 0.0035842 k( 171) = ( 0.0000000 0.5240561 0.0312476), wk = 0.0035842 k( 172) = ( 0.0000000 0.5268071 0.0477404), wk = 0.0035842 k( 173) = ( 0.0000000 0.5295582 0.0642333), wk = 0.0035842 k( 174) = ( 0.0000000 0.5323093 0.0807262), wk = 0.0035842 k( 175) = ( 0.0000000 0.5350604 0.0972191), wk = 0.0035842 k( 176) = ( 0.0000000 0.5378115 0.1137120), wk = 0.0035842 k( 177) = ( 0.0000000 0.5405626 0.1302048), wk = 0.0035842 k( 178) = ( 0.0000000 0.5433136 0.1466977), wk = 0.0035842 k( 179) = ( 0.0000000 0.5460647 0.1631906), wk = 0.0035842 k( 180) = ( 0.0000000 0.5488158 0.1796835), wk = 0.0035842 k( 181) = ( 0.0000000 0.5515669 0.1961764), wk = 0.0035842 k( 182) = ( 0.0000000 0.5543180 0.2126692), wk = 0.0035842 k( 183) = ( 0.0000000 0.5570691 0.2291621), wk = 0.0035842 k( 184) = ( 0.0000000 0.5598202 0.2456550), wk = 0.0035842 k( 185) = ( 0.0000000 0.5625712 0.2621479), wk = 0.0035842 k( 186) = ( 0.0000000 0.5653223 0.2786408), wk = 0.0035842 k( 187) = ( 0.0000000 0.5680734 0.2951336), wk = 0.0035842 k( 188) = ( 0.0000000 0.5708245 0.3116265), wk = 0.0035842 k( 189) = ( 0.0000000 0.5735756 0.3281194), wk = 0.0035842 k( 190) = ( 0.5000000 0.4360213 0.4965246), wk = 0.0035842 k( 191) = ( 0.5000000 0.4198724 0.4965246), wk = 0.0035842 k( 192) = ( 0.5000000 0.4037235 0.4965246), wk = 0.0035842 k( 193) = ( 0.5000000 0.3875745 0.4965246), wk = 0.0035842 k( 194) = ( 0.5000000 0.3714256 0.4965246), wk = 0.0035842 k( 195) = ( 0.5000000 0.3552766 0.4965246), wk = 0.0035842 k( 196) = ( 0.5000000 0.3391277 0.4965246), wk = 0.0035842 k( 197) = ( 0.5000000 0.3229788 0.4965246), wk = 0.0035842 k( 198) = ( 0.5000000 0.3068298 0.4965246), wk = 0.0035842 k( 199) = ( 0.5000000 0.2906809 0.4965246), wk = 0.0035842 k( 200) = ( 0.5000000 0.2745320 0.4965246), wk = 0.0035842 k( 201) = ( 0.5000000 0.2583830 0.4965246), wk = 0.0035842 k( 202) = ( 0.5000000 0.2422341 0.4965246), wk = 0.0035842 k( 203) = ( 0.5000000 0.2260851 0.4965246), wk = 0.0035842 k( 204) = ( 0.5000000 0.2099362 0.4965246), wk = 0.0035842 k( 205) = ( 0.5000000 0.1937873 0.4965246), wk = 0.0035842 k( 206) = ( 0.5000000 0.1776383 0.4965246), wk = 0.0035842 k( 207) = ( 0.5000000 0.1614894 0.4965246), wk = 0.0035842 k( 208) = ( 0.5000000 0.1453404 0.4965246), wk = 0.0035842 k( 209) = ( 0.5000000 0.1291915 0.4965246), wk = 0.0035842 k( 210) = ( 0.5000000 0.1130426 0.4965246), wk = 0.0035842 k( 211) = ( 0.5000000 0.0968936 0.4965246), wk = 0.0035842 k( 212) = ( 0.5000000 0.0807447 0.4965246), wk = 0.0035842 k( 213) = ( 0.5000000 0.0645958 0.4965246), wk = 0.0035842 k( 214) = ( 0.5000000 0.0484468 0.4965246), wk = 0.0035842 k( 215) = ( 0.5000000 0.0322979 0.4965246), wk = 0.0035842 k( 216) = ( 0.5000000 0.0161489 0.4965246), wk = 0.0035842 k( 217) = ( 0.5000000 -0.0000000 0.4965246), wk = 0.0035842 k( 218) = ( 0.5000000 -0.0000000 0.4965246), wk = 0.0035842 k( 219) = ( 0.5000000 -0.0000000 0.4799738), wk = 0.0035842 k( 220) = ( 0.5000000 -0.0000000 0.4634230), wk = 0.0035842 k( 221) = ( 0.5000000 -0.0000000 0.4468721), wk = 0.0035842 k( 222) = ( 0.5000000 -0.0000000 0.4303213), wk = 0.0035842 k( 223) = ( 0.5000000 -0.0000000 0.4137705), wk = 0.0035842 k( 224) = ( 0.5000000 -0.0000000 0.3972197), wk = 0.0035842 k( 225) = ( 0.5000000 -0.0000000 0.3806689), wk = 0.0035842 k( 226) = ( 0.5000000 -0.0000000 0.3641180), wk = 0.0035842 k( 227) = ( 0.5000000 -0.0000000 0.3475672), wk = 0.0035842 k( 228) = ( 0.5000000 -0.0000000 0.3310164), wk = 0.0035842 k( 229) = ( 0.5000000 -0.0000000 0.3144656), wk = 0.0035842 k( 230) = ( 0.5000000 -0.0000000 0.2979148), wk = 0.0035842 k( 231) = ( 0.5000000 -0.0000000 0.2813639), wk = 0.0035842 k( 232) = ( 0.5000000 -0.0000000 0.2648131), wk = 0.0035842 k( 233) = ( 0.5000000 -0.0000000 0.2482623), wk = 0.0035842 k( 234) = ( 0.5000000 -0.0000000 0.2317115), wk = 0.0035842 k( 235) = ( 0.5000000 -0.0000000 0.2151607), wk = 0.0035842 k( 236) = ( 0.5000000 -0.0000000 0.1986098), wk = 0.0035842 k( 237) = ( 0.5000000 -0.0000000 0.1820590), wk = 0.0035842 k( 238) = ( 0.5000000 -0.0000000 0.1655082), wk = 0.0035842 k( 239) = ( 0.5000000 -0.0000000 0.1489574), wk = 0.0035842 k( 240) = ( 0.5000000 -0.0000000 0.1324066), wk = 0.0035842 k( 241) = ( 0.5000000 -0.0000000 0.1158557), wk = 0.0035842 k( 242) = ( 0.5000000 -0.0000000 0.0993049), wk = 0.0035842 k( 243) = ( 0.5000000 -0.0000000 0.0827541), wk = 0.0035842 k( 244) = ( 0.5000000 -0.0000000 0.0662033), wk = 0.0035842 k( 245) = ( 0.5000000 -0.0000000 0.0496525), wk = 0.0035842 k( 246) = ( 0.5000000 -0.0000000 0.0331016), wk = 0.0035842 k( 247) = ( 0.5000000 -0.0000000 0.0165508), wk = 0.0035842 k( 248) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035842 k( 249) = ( 0.0000000 0.0000000 0.4965246), wk = 0.0035842 k( 250) = ( 0.0166667 -0.0000000 0.4965246), wk = 0.0035842 k( 251) = ( 0.0333333 -0.0000000 0.4965246), wk = 0.0035842 k( 252) = ( 0.0500000 -0.0000000 0.4965246), wk = 0.0035842 k( 253) = ( 0.0666667 -0.0000000 0.4965246), wk = 0.0035842 k( 254) = ( 0.0833333 -0.0000000 0.4965246), wk = 0.0035842 k( 255) = ( 0.1000000 -0.0000000 0.4965246), wk = 0.0035842 k( 256) = ( 0.1166667 -0.0000000 0.4965246), wk = 0.0035842 k( 257) = ( 0.1333333 -0.0000000 0.4965246), wk = 0.0035842 k( 258) = ( 0.1500000 -0.0000000 0.4965246), wk = 0.0035842 k( 259) = ( 0.1666667 -0.0000000 0.4965246), wk = 0.0035842 k( 260) = ( 0.1833333 -0.0000000 0.4965246), wk = 0.0035842 k( 261) = ( 0.2000000 -0.0000000 0.4965246), wk = 0.0035842 k( 262) = ( 0.2166667 -0.0000000 0.4965246), wk = 0.0035842 k( 263) = ( 0.2333333 -0.0000000 0.4965246), wk = 0.0035842 k( 264) = ( 0.2500000 -0.0000000 0.4965246), wk = 0.0035842 k( 265) = ( 0.2666667 -0.0000000 0.4965246), wk = 0.0035842 k( 266) = ( 0.2833333 -0.0000000 0.4965246), wk = 0.0035842 k( 267) = ( 0.3000000 -0.0000000 0.4965246), wk = 0.0035842 k( 268) = ( 0.3166667 -0.0000000 0.4965246), wk = 0.0035842 k( 269) = ( 0.3333333 -0.0000000 0.4965246), wk = 0.0035842 k( 270) = ( 0.3500000 -0.0000000 0.4965246), wk = 0.0035842 k( 271) = ( 0.3666667 -0.0000000 0.4965246), wk = 0.0035842 k( 272) = ( 0.3833333 -0.0000000 0.4965246), wk = 0.0035842 k( 273) = ( 0.4000000 -0.0000000 0.4965246), wk = 0.0035842 k( 274) = ( 0.4166667 -0.0000000 0.4965246), wk = 0.0035842 k( 275) = ( 0.4333333 -0.0000000 0.4965246), wk = 0.0035842 k( 276) = ( 0.4500000 -0.0000000 0.4965246), wk = 0.0035842 k( 277) = ( 0.4666667 -0.0000000 0.4965246), wk = 0.0035842 k( 278) = ( 0.4833333 -0.0000000 0.4965246), wk = 0.0035842 k( 279) = ( 0.5000000 -0.0000000 0.4965246), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 33) = ( 0.0000000 0.0159954 0.5027126), wk = 0.0035842 k( 34) = ( 0.0000000 0.0319909 0.5054251), wk = 0.0035842 k( 35) = ( 0.0000000 0.0479863 0.5081377), wk = 0.0035842 k( 36) = ( 0.0000000 0.0639817 0.5108503), wk = 0.0035842 k( 37) = ( 0.0000000 0.0799772 0.5135628), wk = 0.0035842 k( 38) = ( 0.0000000 0.0959726 0.5162754), wk = 0.0035842 k( 39) = ( 0.0000000 0.1119680 0.5189880), wk = 0.0035842 k( 40) = ( 0.0000000 0.1279635 0.5217006), wk = 0.0035842 k( 41) = ( 0.0000000 0.1439589 0.5244131), wk = 0.0035842 k( 42) = ( 0.0000000 0.1599543 0.5271257), wk = 0.0035842 k( 43) = ( 0.0000000 0.1759497 0.5298382), wk = 0.0035842 k( 44) = ( 0.0000000 0.1919452 0.5325508), wk = 0.0035842 k( 45) = ( 0.0000000 0.2079406 0.5352634), wk = 0.0035842 k( 46) = ( 0.0000000 0.2239360 0.5379760), wk = 0.0035842 k( 47) = ( 0.0000000 0.2399315 0.5406885), wk = 0.0035842 k( 48) = ( 0.0000000 0.2559269 0.5434011), wk = 0.0035842 k( 49) = ( 0.0000000 0.2719223 0.5461137), wk = 0.0035842 k( 50) = ( 0.0000000 0.2879178 0.5488262), wk = 0.0035842 k( 51) = ( 0.0000000 0.3039132 0.5515388), wk = 0.0035842 k( 52) = ( 0.0000000 0.3199086 0.5542514), wk = 0.0035842 k( 53) = ( 0.0000000 0.3359041 0.5569639), wk = 0.0035842 k( 54) = ( 0.0000000 0.3518995 0.5596765), wk = 0.0035842 k( 55) = ( 0.0000000 0.3678949 0.5623891), wk = 0.0035842 k( 56) = ( 0.0000000 0.3838904 0.5651016), wk = 0.0035842 k( 57) = ( 0.0000000 0.3998858 0.5678142), wk = 0.0035842 k( 58) = ( 0.0000000 0.4158812 0.5705268), wk = 0.0035842 k( 59) = ( 0.0000000 0.4318766 0.5732394), wk = 0.0035842 k( 60) = ( 0.0000000 0.4318766 0.5732394), wk = 0.0035842 k( 61) = ( 0.0000000 0.4416086 0.5627766), wk = 0.0035842 k( 62) = ( 0.0000000 0.4513405 0.5523138), wk = 0.0035842 k( 63) = ( 0.0000000 0.4610724 0.5418511), wk = 0.0035842 k( 64) = ( 0.0000000 0.4708043 0.5313883), wk = 0.0035842 k( 65) = ( 0.0000000 0.4805362 0.5209255), wk = 0.0035842 k( 66) = ( 0.0000000 0.4902681 0.5104628), wk = 0.0035842 k( 67) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035842 k( 68) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035842 k( 69) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0035842 k( 70) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0035842 k( 71) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0035842 k( 72) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0035842 k( 73) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0035842 k( 74) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0035842 k( 75) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0035842 k( 76) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0035842 k( 77) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0035842 k( 78) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0035842 k( 79) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0035842 k( 80) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0035842 k( 81) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0035842 k( 82) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0035842 k( 83) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0035842 k( 84) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0035842 k( 85) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0035842 k( 86) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0035842 k( 87) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0035842 k( 88) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0035842 k( 89) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0035842 k( 90) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0035842 k( 91) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0035842 k( 92) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0035842 k( 93) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0035842 k( 94) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0035842 k( 95) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0035842 k( 96) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0035842 k( 97) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0035842 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 100) = ( 0.5000000 0.5097319 0.4895372), wk = 0.0035842 k( 101) = ( 0.5000000 0.5194638 0.4790745), wk = 0.0035842 k( 102) = ( 0.5000000 0.5291957 0.4686117), wk = 0.0035842 k( 103) = ( 0.5000000 0.5389276 0.4581489), wk = 0.0035842 k( 104) = ( 0.5000000 0.5486595 0.4476862), wk = 0.0035842 k( 105) = ( 0.5000000 0.5583914 0.4372234), wk = 0.0035842 k( 106) = ( 0.5000000 0.5681234 0.4267607), wk = 0.0035842 k( 107) = ( 0.5000000 0.5681234 0.4267607), wk = 0.0035842 k( 108) = ( 0.5000000 0.5653984 0.4096902), wk = 0.0035842 k( 109) = ( 0.5000000 0.5626735 0.3926198), wk = 0.0035842 k( 110) = ( 0.5000000 0.5599485 0.3755494), wk = 0.0035842 k( 111) = ( 0.5000000 0.5572236 0.3584790), wk = 0.0035842 k( 112) = ( 0.5000000 0.5544987 0.3414085), wk = 0.0035842 k( 113) = ( 0.5000000 0.5517737 0.3243381), wk = 0.0035842 k( 114) = ( 0.5000000 0.5490488 0.3072677), wk = 0.0035842 k( 115) = ( 0.5000000 0.5463239 0.2901972), wk = 0.0035842 k( 116) = ( 0.5000000 0.5435989 0.2731268), wk = 0.0035842 k( 117) = ( 0.5000000 0.5408740 0.2560564), wk = 0.0035842 k( 118) = ( 0.5000000 0.5381491 0.2389860), wk = 0.0035842 k( 119) = ( 0.5000000 0.5354241 0.2219155), wk = 0.0035842 k( 120) = ( 0.5000000 0.5326992 0.2048451), wk = 0.0035842 k( 121) = ( 0.5000000 0.5299743 0.1877747), wk = 0.0035842 k( 122) = ( 0.5000000 0.5272493 0.1707043), wk = 0.0035842 k( 123) = ( 0.5000000 0.5245244 0.1536338), wk = 0.0035842 k( 124) = ( 0.5000000 0.5217995 0.1365634), wk = 0.0035842 k( 125) = ( 0.5000000 0.5190745 0.1194930), wk = 0.0035842 k( 126) = ( 0.5000000 0.5163496 0.1024226), wk = 0.0035842 k( 127) = ( 0.5000000 0.5136247 0.0853521), wk = 0.0035842 k( 128) = ( 0.5000000 0.5108997 0.0682817), wk = 0.0035842 k( 129) = ( 0.5000000 0.5081748 0.0512113), wk = 0.0035842 k( 130) = ( 0.5000000 0.5054499 0.0341409), wk = 0.0035842 k( 131) = ( 0.5000000 0.5027249 0.0170704), wk = 0.0035842 k( 132) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 133) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 134) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0035842 k( 135) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0035842 k( 136) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0035842 k( 137) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0035842 k( 138) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0035842 k( 139) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0035842 k( 140) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0035842 k( 141) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0035842 k( 142) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0035842 k( 143) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0035842 k( 144) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0035842 k( 145) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0035842 k( 146) = ( 0.2833333 0.5000000 0.0000000), wk = 0.0035842 k( 147) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0035842 k( 148) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0035842 k( 149) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0035842 k( 150) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0035842 k( 151) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0035842 k( 152) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0035842 k( 153) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0035842 k( 154) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0035842 k( 155) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0035842 k( 156) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0035842 k( 157) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0035842 k( 158) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0035842 k( 159) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0035842 k( 160) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0035842 k( 161) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0035842 k( 162) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0035842 k( 163) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 164) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 165) = ( 0.0000000 0.5027249 0.0170704), wk = 0.0035842 k( 166) = ( 0.0000000 0.5054499 0.0341409), wk = 0.0035842 k( 167) = ( 0.0000000 0.5081748 0.0512113), wk = 0.0035842 k( 168) = ( 0.0000000 0.5108997 0.0682817), wk = 0.0035842 k( 169) = ( 0.0000000 0.5136247 0.0853521), wk = 0.0035842 k( 170) = ( 0.0000000 0.5163496 0.1024226), wk = 0.0035842 k( 171) = ( 0.0000000 0.5190745 0.1194930), wk = 0.0035842 k( 172) = ( 0.0000000 0.5217995 0.1365634), wk = 0.0035842 k( 173) = ( 0.0000000 0.5245244 0.1536338), wk = 0.0035842 k( 174) = ( 0.0000000 0.5272493 0.1707043), wk = 0.0035842 k( 175) = ( 0.0000000 0.5299743 0.1877747), wk = 0.0035842 k( 176) = ( 0.0000000 0.5326992 0.2048451), wk = 0.0035842 k( 177) = ( 0.0000000 0.5354241 0.2219155), wk = 0.0035842 k( 178) = ( 0.0000000 0.5381491 0.2389860), wk = 0.0035842 k( 179) = ( 0.0000000 0.5408740 0.2560564), wk = 0.0035842 k( 180) = ( 0.0000000 0.5435989 0.2731268), wk = 0.0035842 k( 181) = ( 0.0000000 0.5463239 0.2901972), wk = 0.0035842 k( 182) = ( 0.0000000 0.5490488 0.3072677), wk = 0.0035842 k( 183) = ( 0.0000000 0.5517737 0.3243381), wk = 0.0035842 k( 184) = ( 0.0000000 0.5544987 0.3414085), wk = 0.0035842 k( 185) = ( 0.0000000 0.5572236 0.3584790), wk = 0.0035842 k( 186) = ( 0.0000000 0.5599485 0.3755494), wk = 0.0035842 k( 187) = ( 0.0000000 0.5626735 0.3926198), wk = 0.0035842 k( 188) = ( 0.0000000 0.5653984 0.4096902), wk = 0.0035842 k( 189) = ( 0.0000000 0.5681234 0.4267607), wk = 0.0035842 k( 190) = ( 0.5000000 0.4318766 0.5732394), wk = 0.0035842 k( 191) = ( 0.5000000 0.4158812 0.5705268), wk = 0.0035842 k( 192) = ( 0.5000000 0.3998858 0.5678142), wk = 0.0035842 k( 193) = ( 0.5000000 0.3838904 0.5651016), wk = 0.0035842 k( 194) = ( 0.5000000 0.3678949 0.5623891), wk = 0.0035842 k( 195) = ( 0.5000000 0.3518995 0.5596765), wk = 0.0035842 k( 196) = ( 0.5000000 0.3359041 0.5569639), wk = 0.0035842 k( 197) = ( 0.5000000 0.3199086 0.5542514), wk = 0.0035842 k( 198) = ( 0.5000000 0.3039132 0.5515388), wk = 0.0035842 k( 199) = ( 0.5000000 0.2879178 0.5488262), wk = 0.0035842 k( 200) = ( 0.5000000 0.2719223 0.5461137), wk = 0.0035842 k( 201) = ( 0.5000000 0.2559269 0.5434011), wk = 0.0035842 k( 202) = ( 0.5000000 0.2399315 0.5406885), wk = 0.0035842 k( 203) = ( 0.5000000 0.2239360 0.5379760), wk = 0.0035842 k( 204) = ( 0.5000000 0.2079406 0.5352634), wk = 0.0035842 k( 205) = ( 0.5000000 0.1919452 0.5325508), wk = 0.0035842 k( 206) = ( 0.5000000 0.1759497 0.5298382), wk = 0.0035842 k( 207) = ( 0.5000000 0.1599543 0.5271257), wk = 0.0035842 k( 208) = ( 0.5000000 0.1439589 0.5244131), wk = 0.0035842 k( 209) = ( 0.5000000 0.1279635 0.5217006), wk = 0.0035842 k( 210) = ( 0.5000000 0.1119680 0.5189880), wk = 0.0035842 k( 211) = ( 0.5000000 0.0959726 0.5162754), wk = 0.0035842 k( 212) = ( 0.5000000 0.0799772 0.5135628), wk = 0.0035842 k( 213) = ( 0.5000000 0.0639817 0.5108503), wk = 0.0035842 k( 214) = ( 0.5000000 0.0479863 0.5081377), wk = 0.0035842 k( 215) = ( 0.5000000 0.0319909 0.5054251), wk = 0.0035842 k( 216) = ( 0.5000000 0.0159954 0.5027126), wk = 0.0035842 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 k( 219) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0035842 k( 220) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0035842 k( 221) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0035842 k( 222) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0035842 k( 223) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0035842 k( 224) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0035842 k( 225) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0035842 k( 226) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0035842 k( 227) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0035842 k( 228) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0035842 k( 229) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0035842 k( 230) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0035842 k( 231) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0035842 k( 232) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0035842 k( 233) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035842 k( 234) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0035842 k( 235) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0035842 k( 236) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0035842 k( 237) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0035842 k( 238) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0035842 k( 239) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0035842 k( 240) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0035842 k( 241) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0035842 k( 242) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0035842 k( 243) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0035842 k( 244) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0035842 k( 245) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0035842 k( 246) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0035842 k( 247) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0035842 k( 248) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035842 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 250) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0035842 k( 251) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0035842 k( 252) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0035842 k( 253) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0035842 k( 254) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0035842 k( 255) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0035842 k( 256) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0035842 k( 257) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0035842 k( 258) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0035842 k( 259) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0035842 k( 260) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0035842 k( 261) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0035842 k( 262) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0035842 k( 263) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0035842 k( 264) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035842 k( 265) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0035842 k( 266) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0035842 k( 267) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0035842 k( 268) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0035842 k( 269) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0035842 k( 270) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0035842 k( 271) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0035842 k( 272) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0035842 k( 273) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0035842 k( 274) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0035842 k( 275) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0035842 k( 276) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0035842 k( 277) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0035842 k( 278) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0035842 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 Dense grid: 96433 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 46807 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 338, 76) NL pseudopotentials 0.45 Mb ( 169, 176) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2678) G-vector shells 0.02 Mb ( 2518) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.57 Mb ( 338, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.41 Mb ( 176, 2, 76) The potential is recalculated from file : ./ZrO2.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.9 secs Computing kpt #: 5 total cpu time spent up to now is 11.9 secs Computing kpt #: 6 total cpu time spent up to now is 13.9 secs Computing kpt #: 7 total cpu time spent up to now is 15.9 secs Computing kpt #: 8 total cpu time spent up to now is 18.0 secs Computing kpt #: 9 total cpu time spent up to now is 20.1 secs Computing kpt #: 10 total cpu time spent up to now is 22.6 secs Computing kpt #: 11 total cpu time spent up to now is 24.8 secs Computing kpt #: 12 total cpu time spent up to now is 27.2 secs Computing kpt #: 13 total cpu time spent up to now is 30.0 secs Computing kpt #: 14 total cpu time spent up to now is 32.3 secs Computing kpt #: 15 total cpu time spent up to now is 34.4 secs Computing kpt #: 16 total cpu time spent up to now is 36.6 secs Computing kpt #: 17 total cpu time spent up to now is 38.6 secs Computing kpt #: 18 total cpu time spent up to now is 40.5 secs Computing kpt #: 19 total cpu time spent up to now is 42.4 secs Computing kpt #: 20 total cpu time spent up to now is 44.3 secs Computing kpt #: 21 total cpu time spent up to now is 46.0 secs Computing kpt #: 22 total cpu time spent up to now is 47.8 secs Computing kpt #: 23 total cpu time spent up to now is 49.8 secs Computing kpt #: 24 total cpu time spent up to now is 51.5 secs Computing kpt #: 25 total cpu time spent up to now is 53.3 secs Computing kpt #: 26 total cpu time spent up to now is 55.3 secs Computing kpt #: 27 total cpu time spent up to now is 57.6 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.6 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.6 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.7 secs Computing kpt #: 31 total cpu time spent up to now is 68.8 secs Computing kpt #: 32 total cpu time spent up to now is 70.3 secs Computing kpt #: 33 total cpu time spent up to now is 72.5 secs Computing kpt #: 34 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 75.7 secs Computing kpt #: 35 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 78.9 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.1 secs Computing kpt #: 37 total cpu time spent up to now is 84.9 secs Computing kpt #: 38 total cpu time spent up to now is 86.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.7 secs Computing kpt #: 40 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 92.9 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.1 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 43 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 102.5 secs Computing kpt #: 44 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 105.7 secs Computing kpt #: 45 total cpu time spent up to now is 107.9 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.9 secs Computing kpt #: 47 total cpu time spent up to now is 113.6 secs Computing kpt #: 48 total cpu time spent up to now is 115.9 secs Computing kpt #: 49 total cpu time spent up to now is 118.1 secs Computing kpt #: 50 total cpu time spent up to now is 120.2 secs Computing kpt #: 51 total cpu time spent up to now is 122.4 secs Computing kpt #: 52 total cpu time spent up to now is 124.4 secs Computing kpt #: 53 total cpu time spent up to now is 126.4 secs Computing kpt #: 54 total cpu time spent up to now is 128.3 secs Computing kpt #: 55 total cpu time spent up to now is 130.1 secs Computing kpt #: 56 total cpu time spent up to now is 132.0 secs Computing kpt #: 57 total cpu time spent up to now is 133.9 secs Computing kpt #: 58 total cpu time spent up to now is 136.0 secs Computing kpt #: 59 total cpu time spent up to now is 137.4 secs Computing kpt #: 60 total cpu time spent up to now is 138.9 secs Computing kpt #: 61 total cpu time spent up to now is 140.6 secs Computing kpt #: 62 total cpu time spent up to now is 142.6 secs Computing kpt #: 63 total cpu time spent up to now is 144.1 secs Computing kpt #: 64 total cpu time spent up to now is 146.1 secs Computing kpt #: 65 total cpu time spent up to now is 148.1 secs Computing kpt #: 66 total cpu time spent up to now is 150.1 secs Computing kpt #: 67 total cpu time spent up to now is 152.0 secs Computing kpt #: 68 total cpu time spent up to now is 153.2 secs Computing kpt #: 69 total cpu time spent up to now is 155.2 secs Computing kpt #: 70 total cpu time spent up to now is 156.8 secs Computing kpt #: 71 total cpu time spent up to now is 158.7 secs Computing kpt #: 72 total cpu time spent up to now is 160.4 secs Computing kpt #: 73 total cpu time spent up to now is 162.4 secs Computing kpt #: 74 total cpu time spent up to now is 164.5 secs Computing kpt #: 75 total cpu time spent up to now is 166.4 secs Computing kpt #: 76 total cpu time spent up to now is 168.5 secs Computing kpt #: 77 total cpu time spent up to now is 170.5 secs Computing kpt #: 78 total cpu time spent up to now is 172.4 secs Computing kpt #: 79 total cpu time spent up to now is 174.3 secs Computing kpt #: 80 total cpu time spent up to now is 176.2 secs Computing kpt #: 81 total cpu time spent up to now is 178.0 secs Computing kpt #: 82 total cpu time spent up to now is 179.9 secs Computing kpt #: 83 total cpu time spent up to now is 181.7 secs Computing kpt #: 84 total cpu time spent up to now is 183.6 secs Computing kpt #: 85 total cpu time spent up to now is 185.5 secs Computing kpt #: 86 total cpu time spent up to now is 187.4 secs Computing kpt #: 87 total cpu time spent up to now is 189.1 secs Computing kpt #: 88 total cpu time spent up to now is 190.9 secs Computing kpt #: 89 total cpu time spent up to now is 192.6 secs Computing kpt #: 90 total cpu time spent up to now is 194.2 secs Computing kpt #: 91 total cpu time spent up to now is 196.0 secs Computing kpt #: 92 total cpu time spent up to now is 197.7 secs Computing kpt #: 93 total cpu time spent up to now is 199.5 secs Computing kpt #: 94 total cpu time spent up to now is 201.3 secs Computing kpt #: 95 total cpu time spent up to now is 203.3 secs Computing kpt #: 96 total cpu time spent up to now is 204.9 secs Computing kpt #: 97 total cpu time spent up to now is 206.3 secs Computing kpt #: 98 total cpu time spent up to now is 207.7 secs Computing kpt #: 99 total cpu time spent up to now is 209.1 secs Computing kpt #: 100 total cpu time spent up to now is 210.5 secs Computing kpt #: 101 total cpu time spent up to now is 212.3 secs Computing kpt #: 102 total cpu time spent up to now is 213.7 secs Computing kpt #: 103 total cpu time spent up to now is 215.5 secs Computing kpt #: 104 total cpu time spent up to now is 217.3 secs Computing kpt #: 105 total cpu time spent up to now is 219.0 secs Computing kpt #: 106 total cpu time spent up to now is 220.9 secs Computing kpt #: 107 total cpu time spent up to now is 222.8 secs Computing kpt #: 108 total cpu time spent up to now is 224.5 secs Computing kpt #: 109 total cpu time spent up to now is 226.4 secs Computing kpt #: 110 total cpu time spent up to now is 228.4 secs Computing kpt #: 111 total cpu time spent up to now is 230.1 secs Computing kpt #: 112 total cpu time spent up to now is 231.7 secs Computing kpt #: 113 total cpu time spent up to now is 233.4 secs Computing kpt #: 114 total cpu time spent up to now is 235.2 secs Computing kpt #: 115 total cpu time spent up to now is 236.8 secs Computing kpt #: 116 total cpu time spent up to now is 238.5 secs Computing kpt #: 117 total cpu time spent up to now is 240.3 secs Computing kpt #: 118 total cpu time spent up to now is 241.9 secs Computing kpt #: 119 total cpu time spent up to now is 243.6 secs Computing kpt #: 120 total cpu time spent up to now is 245.3 secs Computing kpt #: 121 total cpu time spent up to now is 246.9 secs Computing kpt #: 122 total cpu time spent up to now is 248.6 secs Computing kpt #: 123 total cpu time spent up to now is 249.8 secs Computing kpt #: 124 total cpu time spent up to now is 251.0 secs Computing kpt #: 125 total cpu time spent up to now is 252.6 secs Computing kpt #: 126 total cpu time spent up to now is 253.8 secs Computing kpt #: 127 total cpu time spent up to now is 255.1 secs Computing kpt #: 128 total cpu time spent up to now is 256.3 secs Computing kpt #: 129 total cpu time spent up to now is 257.5 secs Computing kpt #: 130 total cpu time spent up to now is 258.7 secs Computing kpt #: 131 total cpu time spent up to now is 259.9 secs Computing kpt #: 132 total cpu time spent up to now is 261.0 secs Computing kpt #: 133 total cpu time spent up to now is 262.2 secs Computing kpt #: 134 total cpu time spent up to now is 263.4 secs Computing kpt #: 135 total cpu time spent up to now is 264.6 secs Computing kpt #: 136 total cpu time spent up to now is 265.8 secs Computing kpt #: 137 total cpu time spent up to now is 267.1 secs Computing kpt #: 138 total cpu time spent up to now is 268.3 secs Computing kpt #: 139 total cpu time spent up to now is 269.5 secs Computing kpt #: 140 total cpu time spent up to now is 270.6 secs Computing kpt #: 141 total cpu time spent up to now is 271.7 secs Computing kpt #: 142 total cpu time spent up to now is 272.9 secs Computing kpt #: 143 total cpu time spent up to now is 274.1 secs Computing kpt #: 144 total cpu time spent up to now is 275.4 secs Computing kpt #: 145 total cpu time spent up to now is 276.6 secs Computing kpt #: 146 total cpu time spent up to now is 278.2 secs Computing kpt #: 147 total cpu time spent up to now is 279.4 secs Computing kpt #: 148 total cpu time spent up to now is 280.5 secs Computing kpt #: 149 total cpu time spent up to now is 281.7 secs Computing kpt #: 150 total cpu time spent up to now is 282.9 secs Computing kpt #: 151 total cpu time spent up to now is 284.6 secs Computing kpt #: 152 total cpu time spent up to now is 286.2 secs Computing kpt #: 153 total cpu time spent up to now is 287.4 secs Computing kpt #: 154 total cpu time spent up to now is 288.6 secs Computing kpt #: 155 total cpu time spent up to now is 290.3 secs Computing kpt #: 156 total cpu time spent up to now is 291.7 secs Computing kpt #: 157 total cpu time spent up to now is 293.3 secs Computing kpt #: 158 total cpu time spent up to now is 295.5 secs Computing kpt #: 159 total cpu time spent up to now is 296.8 secs Computing kpt #: 160 total cpu time spent up to now is 299.6 secs Computing kpt #: 161 total cpu time spent up to now is 302.1 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 304.9 secs Computing kpt #: 163 total cpu time spent up to now is 306.8 secs Computing kpt #: 164 total cpu time spent up to now is 308.8 secs Computing kpt #: 165 total cpu time spent up to now is 310.2 secs Computing kpt #: 166 total cpu time spent up to now is 311.8 secs Computing kpt #: 167 total cpu time spent up to now is 313.7 secs Computing kpt #: 168 total cpu time spent up to now is 315.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.1 secs Computing kpt #: 170 total cpu time spent up to now is 319.7 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.5 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.3 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.1 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.0 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.8 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.6 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.6 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.5 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.4 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.2 secs Computing kpt #: 182 total cpu time spent up to now is 353.3 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.2 secs Computing kpt #: 184 total cpu time spent up to now is 358.8 secs Computing kpt #: 185 total cpu time spent up to now is 361.1 secs Computing kpt #: 186 total cpu time spent up to now is 363.2 secs Computing kpt #: 187 total cpu time spent up to now is 365.3 secs Computing kpt #: 188 total cpu time spent up to now is 366.9 secs Computing kpt #: 189 total cpu time spent up to now is 369.0 secs Computing kpt #: 190 total cpu time spent up to now is 370.9 secs Computing kpt #: 191 total cpu time spent up to now is 372.6 secs Computing kpt #: 192 total cpu time spent up to now is 374.3 secs Computing kpt #: 193 total cpu time spent up to now is 375.9 secs Computing kpt #: 194 total cpu time spent up to now is 377.6 secs Computing kpt #: 195 total cpu time spent up to now is 379.2 secs Computing kpt #: 196 total cpu time spent up to now is 380.9 secs Computing kpt #: 197 total cpu time spent up to now is 382.5 secs Computing kpt #: 198 total cpu time spent up to now is 384.2 secs Computing kpt #: 199 total cpu time spent up to now is 385.9 secs Computing kpt #: 200 total cpu time spent up to now is 387.8 secs Computing kpt #: 201 total cpu time spent up to now is 389.7 secs Computing kpt #: 202 total cpu time spent up to now is 391.5 secs Computing kpt #: 203 total cpu time spent up to now is 393.2 secs Computing kpt #: 204 total cpu time spent up to now is 394.9 secs Computing kpt #: 205 total cpu time spent up to now is 396.9 secs Computing kpt #: 206 total cpu time spent up to now is 398.9 secs Computing kpt #: 207 total cpu time spent up to now is 400.6 secs Computing kpt #: 208 total cpu time spent up to now is 402.8 secs Computing kpt #: 209 total cpu time spent up to now is 404.5 secs Computing kpt #: 210 total cpu time spent up to now is 406.6 secs Computing kpt #: 211 total cpu time spent up to now is 409.0 secs Computing kpt #: 212 total cpu time spent up to now is 411.1 secs Computing kpt #: 213 total cpu time spent up to now is 413.1 secs Computing kpt #: 214 total cpu time spent up to now is 415.8 secs Computing kpt #: 215 total cpu time spent up to now is 418.5 secs Computing kpt #: 216 total cpu time spent up to now is 421.4 secs Computing kpt #: 217 total cpu time spent up to now is 423.9 secs Computing kpt #: 218 total cpu time spent up to now is 425.9 secs Computing kpt #: 219 total cpu time spent up to now is 428.2 secs Computing kpt #: 220 total cpu time spent up to now is 430.7 secs Computing kpt #: 221 total cpu time spent up to now is 433.2 secs Computing kpt #: 222 total cpu time spent up to now is 436.2 secs Computing kpt #: 223 total cpu time spent up to now is 437.9 secs Computing kpt #: 224 total cpu time spent up to now is 439.3 secs Computing kpt #: 225 total cpu time spent up to now is 441.4 secs Computing kpt #: 226 total cpu time spent up to now is 443.2 secs Computing kpt #: 227 total cpu time spent up to now is 445.1 secs Computing kpt #: 228 total cpu time spent up to now is 446.9 secs Computing kpt #: 229 total cpu time spent up to now is 448.7 secs Computing kpt #: 230 total cpu time spent up to now is 450.4 secs Computing kpt #: 231 total cpu time spent up to now is 452.0 secs Computing kpt #: 232 total cpu time spent up to now is 453.7 secs Computing kpt #: 233 total cpu time spent up to now is 455.3 secs Computing kpt #: 234 total cpu time spent up to now is 456.5 secs Computing kpt #: 235 total cpu time spent up to now is 457.9 secs Computing kpt #: 236 total cpu time spent up to now is 459.1 secs Computing kpt #: 237 total cpu time spent up to now is 460.7 secs Computing kpt #: 238 total cpu time spent up to now is 462.4 secs Computing kpt #: 239 total cpu time spent up to now is 463.6 secs Computing kpt #: 240 total cpu time spent up to now is 465.1 secs Computing kpt #: 241 total cpu time spent up to now is 466.8 secs Computing kpt #: 242 total cpu time spent up to now is 468.3 secs Computing kpt #: 243 total cpu time spent up to now is 469.5 secs Computing kpt #: 244 total cpu time spent up to now is 470.7 secs Computing kpt #: 245 total cpu time spent up to now is 472.3 secs Computing kpt #: 246 total cpu time spent up to now is 473.6 secs Computing kpt #: 247 total cpu time spent up to now is 474.8 secs Computing kpt #: 248 total cpu time spent up to now is 476.0 secs Computing kpt #: 249 total cpu time spent up to now is 477.5 secs Computing kpt #: 250 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 480.7 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.6 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 486.5 secs Computing kpt #: 253 total cpu time spent up to now is 489.2 secs Computing kpt #: 254 total cpu time spent up to now is 491.2 secs Computing kpt #: 255 total cpu time spent up to now is 493.1 secs Computing kpt #: 256 total cpu time spent up to now is 495.0 secs Computing kpt #: 257 total cpu time spent up to now is 496.8 secs Computing kpt #: 258 total cpu time spent up to now is 498.8 secs Computing kpt #: 259 total cpu time spent up to now is 500.9 secs Computing kpt #: 260 total cpu time spent up to now is 502.9 secs Computing kpt #: 261 total cpu time spent up to now is 504.8 secs Computing kpt #: 262 total cpu time spent up to now is 506.8 secs Computing kpt #: 263 total cpu time spent up to now is 508.2 secs Computing kpt #: 264 total cpu time spent up to now is 509.9 secs Computing kpt #: 265 total cpu time spent up to now is 511.7 secs Computing kpt #: 266 total cpu time spent up to now is 513.2 secs Computing kpt #: 267 total cpu time spent up to now is 515.2 secs Computing kpt #: 268 total cpu time spent up to now is 517.2 secs Computing kpt #: 269 total cpu time spent up to now is 518.6 secs Computing kpt #: 270 total cpu time spent up to now is 520.2 secs Computing kpt #: 271 total cpu time spent up to now is 522.4 secs Computing kpt #: 272 total cpu time spent up to now is 524.9 secs Computing kpt #: 273 total cpu time spent up to now is 527.6 secs Computing kpt #: 274 total cpu time spent up to now is 530.2 secs Computing kpt #: 275 total cpu time spent up to now is 532.7 secs Computing kpt #: 276 total cpu time spent up to now is 535.4 secs Computing kpt #: 277 total cpu time spent up to now is 537.4 secs Computing kpt #: 278 total cpu time spent up to now is 538.8 secs Computing kpt #: 279 total cpu time spent up to now is 540.8 secs ethr = 1.56E-08, avg # of iterations = 59.5 total cpu time spent up to now is 540.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5839 PWs) bands (ev): -10.9085 -10.9085 -9.7844 -9.7844 -9.6268 -9.6268 -9.6000 -9.6000 -9.4396 -9.4396 -9.3943 -9.3943 -9.2860 -9.2860 -8.3653 -8.3653 1.6009 1.6009 1.6500 1.6500 1.6722 1.6722 2.0708 2.0708 2.1744 2.1744 2.5632 2.5632 3.7315 3.7315 3.8921 3.8921 4.0708 4.0708 4.1422 4.1422 4.2422 4.2422 4.4588 4.4588 4.8745 4.8745 4.8938 4.8938 5.2275 5.2275 5.5384 5.5384 5.7382 5.7382 6.3956 6.3956 6.5618 6.5618 6.7399 6.7399 6.8247 6.8247 6.9546 6.9546 7.1949 7.1949 7.4311 7.4311 9.8900 9.8900 10.3525 10.3525 10.4012 10.4012 10.7237 10.7237 10.8292 10.8292 10.9149 10.9150 k = 0.0000 0.0000 0.0166 ( 5837 PWs) bands (ev): -10.9077 -10.9077 -9.7845 -9.7845 -9.6274 -9.6274 -9.6000 -9.6000 -9.4397 -9.4397 -9.3938 -9.3938 -9.2862 -9.2862 -8.3662 -8.3662 1.6025 1.6025 1.6512 1.6512 1.6742 1.6742 2.0723 2.0723 2.1753 2.1753 2.5645 2.5645 3.7312 3.7312 3.8814 3.8814 4.0804 4.0804 4.1420 4.1420 4.2405 4.2405 4.4583 4.4583 4.8535 4.8535 4.9116 4.9116 5.2272 5.2272 5.5375 5.5375 5.7420 5.7420 6.3943 6.3943 6.5572 6.5572 6.7395 6.7395 6.8232 6.8232 6.9513 6.9513 7.1943 7.1943 7.4295 7.4295 9.8928 9.8928 10.3535 10.3535 10.4026 10.4026 10.7249 10.7249 10.8300 10.8300 10.9158 10.9158 k = 0.0000 0.0000 0.0331 ( 5839 PWs) bands (ev): -10.9054 -10.9054 -9.7848 -9.7848 -9.6289 -9.6289 -9.6000 -9.6000 -9.4401 -9.4401 -9.3924 -9.3924 -9.2865 -9.2865 -8.3688 -8.3688 1.6073 1.6073 1.6551 1.6551 1.6804 1.6804 2.0767 2.0767 2.1777 2.1777 2.5686 2.5686 3.7301 3.7301 3.8545 3.8545 4.1035 4.1035 4.1417 4.1417 4.2356 4.2356 4.4566 4.4566 4.8223 4.8223 4.9337 4.9337 5.2266 5.2266 5.5350 5.5350 5.7531 5.7531 6.3902 6.3902 6.5436 6.5436 6.7382 6.7382 6.8188 6.8188 6.9414 6.9414 7.1926 7.1926 7.4250 7.4250 9.9012 9.9012 10.3567 10.3567 10.4066 10.4066 10.7287 10.7287 10.8324 10.8324 10.9184 10.9184 k = 0.0000 0.0000 0.0497 ( 5835 PWs) bands (ev): -10.9016 -10.9016 -9.7854 -9.7854 -9.6316 -9.6316 -9.6001 -9.6001 -9.4407 -9.4407 -9.3900 -9.3900 -9.2872 -9.2872 -8.3730 -8.3730 1.6151 1.6151 1.6615 1.6615 1.6908 1.6908 2.0839 2.0839 2.1819 2.1819 2.5755 2.5755 3.7282 3.7282 3.8188 3.8188 4.1280 4.1280 4.1447 4.1447 4.2287 4.2287 4.4541 4.4541 4.7876 4.7876 4.9539 4.9539 5.2254 5.2254 5.5308 5.5308 5.7710 5.7710 6.3829 6.3829 6.5212 6.5212 6.7361 6.7361 6.8114 6.8114 6.9253 6.9253 7.1896 7.1896 7.4178 7.4178 9.9150 9.9150 10.3619 10.3619 10.4133 10.4133 10.7348 10.7348 10.8363 10.8363 10.9226 10.9226 k = 0.0000 0.0000 0.0662 ( 5839 PWs) bands (ev): -10.8962 -10.8962 -9.7863 -9.7863 -9.6353 -9.6353 -9.6001 -9.6001 -9.4414 -9.4414 -9.3865 -9.3865 -9.2881 -9.2881 -8.3790 -8.3790 1.6258 1.6258 1.6705 1.6705 1.7055 1.7055 2.0938 2.0938 2.1876 2.1876 2.5853 2.5853 3.7252 3.7252 3.7789 3.7789 4.1326 4.1326 4.1631 4.1631 4.2242 4.2242 4.4509 4.4509 4.7505 4.7505 4.9721 4.9721 5.2238 5.2238 5.5248 5.5248 5.7949 5.7949 6.3713 6.3713 6.4908 6.4908 6.7332 6.7332 6.8011 6.8011 6.9040 6.9040 7.1855 7.1855 7.4084 7.4084 9.9338 9.9338 10.3690 10.3690 10.4224 10.4224 10.7431 10.7431 10.8417 10.8417 10.9286 10.9286 k = 0.0000 0.0000 0.0828 ( 5838 PWs) bands (ev): -10.8893 -10.8893 -9.7877 -9.7877 -9.6399 -9.6399 -9.6003 -9.6003 -9.4421 -9.4421 -9.3821 -9.3821 -9.2893 -9.2893 -8.3866 -8.3866 1.6390 1.6390 1.6821 1.6821 1.7249 1.7249 2.1063 2.1063 2.1950 2.1950 2.5980 2.5980 3.7205 3.7205 3.7373 3.7373 4.1288 4.1288 4.1701 4.1701 4.2351 4.2351 4.4473 4.4473 4.7117 4.7117 4.9888 4.9888 5.2216 5.2216 5.5169 5.5169 5.8238 5.8238 6.3535 6.3535 6.4544 6.4544 6.7295 6.7295 6.7870 6.7870 6.8790 6.8790 7.1804 7.1804 7.3975 7.3975 9.9571 9.9571 10.3779 10.3779 10.4339 10.4339 10.7531 10.7531 10.8484 10.8484 10.9363 10.9363 k = 0.0000 0.0000 0.0993 ( 5838 PWs) bands (ev): -10.8810 -10.8810 -9.7896 -9.7896 -9.6455 -9.6455 -9.6005 -9.6005 -9.4429 -9.4429 -9.3766 -9.3766 -9.2906 -9.2906 -8.3959 -8.3959 1.6546 1.6546 1.6961 1.6961 1.7489 1.7489 2.1212 2.1212 2.2039 2.2039 2.6139 2.6139 3.6918 3.6918 3.7170 3.7170 4.1216 4.1216 4.1581 4.1581 4.2624 4.2624 4.4438 4.4438 4.6722 4.6722 5.0046 5.0046 5.2189 5.2189 5.5069 5.5069 5.8567 5.8567 6.3256 6.3256 6.4157 6.4157 6.7247 6.7247 6.7680 6.7680 6.8531 6.8531 7.1743 7.1743 7.3857 7.3857 9.9844 9.9844 10.3885 10.3885 10.4475 10.4475 10.7648 10.7648 10.8564 10.8564 10.9456 10.9456 k = 0.0000 0.0000 0.1159 ( 5836 PWs) bands (ev): -10.8711 -10.8711 -9.7924 -9.7924 -9.6518 -9.6518 -9.6009 -9.6009 -9.4436 -9.4436 -9.3700 -9.3700 -9.2922 -9.2922 -8.4067 -8.4067 1.6724 1.6724 1.7127 1.7127 1.7778 1.7778 2.1382 2.1382 2.2144 2.2144 2.6332 2.6332 3.6478 3.6478 3.7094 3.7094 4.1102 4.1102 4.1390 4.1390 4.2943 4.2943 4.4405 4.4405 4.6333 4.6333 5.0198 5.0198 5.2156 5.2156 5.4948 5.4948 5.8928 5.8928 6.2837 6.2837 6.3786 6.3786 6.7175 6.7175 6.7438 6.7438 6.8296 6.8296 7.1673 7.1673 7.3733 7.3733 10.0151 10.0151 10.4006 10.4006 10.4630 10.4630 10.7778 10.7778 10.8654 10.8654 10.9567 10.9567 k = 0.0000 0.0000 0.1324 ( 5840 PWs) bands (ev): -10.8598 -10.8598 -9.7961 -9.7961 -9.6586 -9.6586 -9.6014 -9.6014 -9.4441 -9.4441 -9.3624 -9.3624 -9.2940 -9.2940 -8.4191 -8.4191 1.6923 1.6923 1.7317 1.7317 1.8113 1.8113 2.1571 2.1571 2.2264 2.2264 2.6560 2.6560 3.6031 3.6031 3.7001 3.7001 4.0918 4.0918 4.1187 4.1187 4.3265 4.3265 4.4374 4.4374 4.5963 4.5963 5.0347 5.0347 5.2116 5.2116 5.4802 5.4802 5.9312 5.9312 6.2280 6.2280 6.3426 6.3426 6.6995 6.6995 6.7234 6.7234 6.8099 6.8099 7.1594 7.1594 7.3607 7.3607 10.0488 10.0488 10.4140 10.4140 10.4801 10.4801 10.7919 10.7919 10.8755 10.8755 10.9692 10.9692 k = 0.0000 0.0000 0.1490 ( 5846 PWs) bands (ev): -10.8470 -10.8470 -9.8013 -9.8013 -9.6656 -9.6656 -9.6021 -9.6021 -9.4444 -9.4444 -9.3537 -9.3537 -9.2960 -9.2960 -8.4329 -8.4329 1.7143 1.7143 1.7531 1.7531 1.8496 1.8496 2.1777 2.1777 2.2398 2.2398 2.6826 2.6826 3.5581 3.5581 3.6883 3.6883 4.0653 4.0653 4.0993 4.0993 4.3574 4.3574 4.4342 4.4342 4.5634 4.5634 5.0496 5.0496 5.2068 5.2068 5.4626 5.4626 5.9711 5.9711 6.1625 6.1625 6.3034 6.3034 6.6670 6.6670 6.7139 6.7139 6.7933 6.7933 7.1509 7.1509 7.3482 7.3482 10.0849 10.0849 10.4286 10.4286 10.4985 10.4985 10.8071 10.8071 10.8863 10.8863 10.9831 10.9831 k = 0.0000 0.0000 0.1655 ( 5840 PWs) bands (ev): -10.8328 -10.8328 -9.8081 -9.8081 -9.6725 -9.6725 -9.6030 -9.6030 -9.4443 -9.4443 -9.3441 -9.3441 -9.2979 -9.2979 -8.4482 -8.4482 1.7383 1.7383 1.7770 1.7770 1.8924 1.8924 2.1996 2.1996 2.2547 2.2547 2.7130 2.7130 3.5132 3.5132 3.6737 3.6737 4.0330 4.0330 4.0785 4.0785 4.3860 4.3860 4.4296 4.4296 4.5374 4.5374 5.0647 5.0647 5.2013 5.2013 5.4414 5.4414 6.0117 6.0117 6.0913 6.0913 6.2571 6.2571 6.6324 6.6324 6.7065 6.7065 6.7784 6.7784 7.1417 7.1417 7.3359 7.3359 10.1229 10.1229 10.4442 10.4442 10.5180 10.5180 10.8231 10.8231 10.8980 10.8980 10.9981 10.9981 k = 0.0000 0.0000 0.1821 ( 5839 PWs) bands (ev): -10.8172 -10.8172 -9.8171 -9.8171 -9.6789 -9.6789 -9.6041 -9.6041 -9.4439 -9.4439 -9.3338 -9.3338 -9.2997 -9.2997 -8.4648 -8.4648 1.7643 1.7643 1.8032 1.8032 1.9395 1.9395 2.2227 2.2227 2.2708 2.2708 2.7476 2.7476 3.4683 3.4683 3.6558 3.6558 3.9968 3.9968 4.0545 4.0545 4.4080 4.4080 4.4256 4.4256 4.5213 4.5213 5.0801 5.0801 5.1948 5.1948 5.4157 5.4157 6.0161 6.0161 6.0537 6.0537 6.2016 6.2016 6.6008 6.6008 6.6992 6.6992 6.7643 6.7643 7.1322 7.1322 7.3238 7.3238 10.1624 10.1624 10.4606 10.4606 10.5382 10.5382 10.8398 10.8398 10.9103 10.9103 11.0136 11.0136 k = 0.0000 0.0000 0.1986 ( 5832 PWs) bands (ev): -10.8003 -10.8003 -9.8285 -9.8285 -9.6844 -9.6844 -9.6055 -9.6055 -9.4432 -9.4432 -9.3237 -9.3237 -9.3002 -9.3002 -8.4827 -8.4827 1.7922 1.7922 1.8318 1.8318 1.9909 1.9909 2.2469 2.2469 2.2883 2.2883 2.7864 2.7864 3.4237 3.4237 3.6344 3.6344 3.9577 3.9577 4.0266 4.0266 4.4041 4.4041 4.4411 4.4411 4.5159 4.5159 5.0959 5.0959 5.1872 5.1872 5.3846 5.3846 5.9421 5.9421 6.0938 6.0938 6.1368 6.1368 6.5738 6.5738 6.6915 6.6915 6.7507 6.7507 7.1223 7.1223 7.3120 7.3120 10.2032 10.2032 10.4776 10.4776 10.5588 10.5588 10.8571 10.8571 10.9233 10.9233 11.0291 11.0291 k = 0.0000 0.0000 0.2152 ( 5827 PWs) bands (ev): -10.7820 -10.7820 -9.8424 -9.8424 -9.6888 -9.6888 -9.6070 -9.6070 -9.4421 -9.4421 -9.3169 -9.3169 -9.2966 -9.2966 -8.5019 -8.5019 1.8220 1.8220 1.8626 1.8626 2.0460 2.0460 2.2721 2.2721 2.3069 2.3069 2.8293 2.8293 3.3795 3.3795 3.6092 3.6092 3.9162 3.9162 3.9948 3.9948 4.3916 4.3916 4.4610 4.4610 4.5192 4.5192 5.1121 5.1121 5.1781 5.1781 5.3467 5.3467 5.8699 5.8699 6.0615 6.0615 6.1356 6.1356 6.5516 6.5516 6.6834 6.6834 6.7373 6.7373 7.1123 7.1123 7.3004 7.3004 10.2448 10.2448 10.4951 10.4951 10.5795 10.5795 10.8749 10.8749 10.9370 10.9370 11.0437 11.0437 k = 0.0000 0.0000 0.2317 ( 5836 PWs) bands (ev): -10.7625 -10.7625 -9.8589 -9.8589 -9.6920 -9.6920 -9.6088 -9.6088 -9.4406 -9.4406 -9.3160 -9.3160 -9.2862 -9.2862 -8.5222 -8.5222 1.8536 1.8536 1.8955 1.8955 2.1045 2.1045 2.2984 2.2984 2.3265 2.3265 2.8765 2.8765 3.3356 3.3356 3.5802 3.5802 3.8728 3.8728 3.9594 3.9594 4.3800 4.3800 4.4780 4.4780 4.5286 4.5286 5.1287 5.1287 5.1668 5.1668 5.3013 5.3013 5.8024 5.8024 5.9807 5.9807 6.1749 6.1749 6.5336 6.5336 6.6749 6.6749 6.7241 6.7241 7.1024 7.1024 7.2890 7.2890 10.2870 10.2870 10.5130 10.5130 10.6000 10.6000 10.8930 10.8930 10.9512 10.9512 11.0565 11.0565 k = 0.0000 0.0000 0.2483 ( 5836 PWs) bands (ev): -10.7417 -10.7417 -9.8779 -9.8779 -9.6940 -9.6940 -9.6109 -9.6109 -9.4388 -9.4388 -9.3179 -9.3179 -9.2719 -9.2719 -8.5435 -8.5435 1.8869 1.8869 1.9306 1.9306 2.1657 2.1657 2.3264 2.3264 2.3471 2.3471 2.9276 2.9276 3.2923 3.2923 3.5476 3.5476 3.8278 3.8278 3.9209 3.9209 4.3716 4.3716 4.4910 4.4910 4.5421 4.5421 5.1441 5.1441 5.1523 5.1523 5.2500 5.2500 5.7406 5.7406 5.8952 5.8952 6.2132 6.2132 6.5192 6.5192 6.6660 6.6660 6.7110 6.7110 7.0928 7.0928 7.2777 7.2777 10.3295 10.3295 10.5311 10.5311 10.6201 10.6201 10.9114 10.9114 10.9659 10.9659 11.0665 11.0665 k = 0.0000 0.0000 0.2648 ( 5844 PWs) bands (ev): -10.7197 -10.7197 -9.8991 -9.8991 -9.6951 -9.6951 -9.6131 -9.6131 -9.4366 -9.4366 -9.3209 -9.3209 -9.2558 -9.2558 -8.5658 -8.5658 1.9218 1.9218 1.9677 1.9677 2.2278 2.2278 2.3573 2.3573 2.3687 2.3687 2.9823 2.9823 3.2495 3.2495 3.5118 3.5118 3.7818 3.7818 3.8802 3.8802 4.3669 4.3669 4.4992 4.4992 4.5586 4.5586 5.1211 5.1211 5.1628 5.1628 5.2016 5.2016 5.6834 5.6834 5.8086 5.8086 6.2499 6.2499 6.5075 6.5075 6.6567 6.6567 6.6983 6.6983 7.0836 7.0836 7.2665 7.2665 10.3723 10.3723 10.5492 10.5492 10.6395 10.6395 10.9298 10.9298 10.9810 10.9810 11.0731 11.0731 k = 0.0000 0.0000 0.2814 ( 5840 PWs) bands (ev): -10.6965 -10.6965 -9.9223 -9.9223 -9.6952 -9.6952 -9.6156 -9.6156 -9.4341 -9.4341 -9.3244 -9.3244 -9.2383 -9.2383 -8.5890 -8.5890 1.9583 1.9583 2.0068 2.0068 2.2874 2.2874 2.3884 2.3884 2.3971 2.3971 3.0398 3.0398 3.2073 3.2073 3.4737 3.4737 3.7351 3.7351 3.8379 3.8379 4.3661 4.3661 4.5019 4.5019 4.5774 4.5774 5.0671 5.0671 5.1619 5.1619 5.1866 5.1866 5.6246 5.6246 5.7285 5.7285 6.2847 6.2847 6.4981 6.4981 6.6473 6.6473 6.6859 6.6859 7.0751 7.0751 7.2553 7.2553 10.4150 10.4150 10.5673 10.5673 10.6580 10.6580 10.9482 10.9482 10.9965 10.9965 11.0763 11.0763 k = 0.0000 0.0000 0.2979 ( 5840 PWs) bands (ev): -10.6723 -10.6723 -9.9472 -9.9472 -9.6946 -9.6946 -9.6183 -9.6183 -9.4314 -9.4314 -9.3281 -9.3281 -9.2197 -9.2197 -8.6131 -8.6131 1.9961 1.9961 2.0476 2.0476 2.3390 2.3390 2.4113 2.4113 2.4457 2.4457 3.0983 3.0983 3.1657 3.1657 3.4351 3.4351 3.6883 3.6883 3.7949 3.7949 4.3689 4.3689 4.4975 4.4975 4.5982 4.5982 4.9942 4.9942 5.1418 5.1418 5.2029 5.2029 5.5526 5.5526 5.6665 5.6665 6.3172 6.3172 6.4906 6.4906 6.6377 6.6377 6.6740 6.6740 7.0676 7.0676 7.2441 7.2441 10.4576 10.4576 10.5852 10.5852 10.6753 10.6753 10.9665 10.9665 11.0121 11.0121 11.0766 11.0766 k = 0.0000 0.0000 0.3145 ( 5832 PWs) bands (ev): -10.6469 -10.6469 -9.9737 -9.9737 -9.6934 -9.6934 -9.6211 -9.6211 -9.4283 -9.4283 -9.3321 -9.3321 -9.2000 -9.2000 -8.6378 -8.6378 2.0350 2.0350 2.0902 2.0902 2.3799 2.3799 2.4336 2.4336 2.5095 2.5095 3.1249 3.1249 3.1537 3.1537 3.4003 3.4003 3.6419 3.6419 3.7521 3.7521 4.3749 4.3749 4.4840 4.4840 4.6206 4.6206 4.9149 4.9149 5.1223 5.1223 5.2214 5.2214 5.4657 5.4657 5.6244 5.6244 6.3472 6.3472 6.4847 6.4847 6.6283 6.6283 6.6626 6.6626 7.0612 7.0612 7.2328 7.2328 10.4998 10.4998 10.6029 10.6029 10.6913 10.6913 10.9846 10.9846 11.0276 11.0276 11.0746 11.0746 k = 0.0000 0.0000 0.3310 ( 5830 PWs) bands (ev): -10.6206 -10.6206 -10.0015 -10.0015 -9.6917 -9.6917 -9.6241 -9.6241 -9.4250 -9.4250 -9.3362 -9.3362 -9.1794 -9.1794 -8.6632 -8.6632 2.0748 2.0748 2.1342 2.1342 2.4136 2.4136 2.4554 2.4554 2.5840 2.5840 3.0849 3.0849 3.1938 3.1938 3.3811 3.3811 3.5963 3.5963 3.7104 3.7104 4.3837 4.3837 4.4585 4.4585 4.6442 4.6442 4.8371 4.8371 5.1008 5.1008 5.2403 5.2403 5.3726 5.3726 5.5940 5.5940 6.3743 6.3743 6.4803 6.4803 6.6192 6.6192 6.6518 6.6518 7.0562 7.0562 7.2213 7.2213 10.5414 10.5414 10.6201 10.6201 10.7058 10.7058 11.0022 11.0022 11.0421 11.0421 11.0718 11.0718 k = 0.0000 0.0000 0.3476 ( 5827 PWs) bands (ev): -10.5933 -10.5933 -10.0304 -10.0304 -9.6896 -9.6896 -9.6273 -9.6273 -9.4214 -9.4214 -9.3405 -9.3405 -9.1579 -9.1579 -8.6892 -8.6892 2.1153 2.1153 2.1793 2.1793 2.4438 2.4438 2.4765 2.4765 2.6654 2.6654 3.0456 3.0456 3.1979 3.1979 3.3975 3.3975 3.5525 3.5525 3.6713 3.6713 4.3950 4.3950 4.4173 4.4173 4.6686 4.6686 4.7669 4.7669 5.0740 5.0740 5.2592 5.2592 5.2811 5.2811 5.5700 5.5700 6.3982 6.3982 6.4772 6.4772 6.6106 6.6106 6.6416 6.6416 7.0528 7.0528 7.2097 7.2097 10.5822 10.5822 10.6370 10.6370 10.7187 10.7187 11.0188 11.0188 11.0517 11.0517 11.0726 11.0726 k = 0.0000 0.0000 0.3641 ( 5830 PWs) bands (ev): -10.5652 -10.5652 -10.0603 -10.0603 -9.6871 -9.6871 -9.6307 -9.6307 -9.4177 -9.4177 -9.3449 -9.3449 -9.1355 -9.1355 -8.7156 -8.7156 2.1562 2.1562 2.2254 2.2254 2.4724 2.4724 2.4968 2.4968 2.7514 2.7514 3.0073 3.0073 3.1687 3.1687 3.4437 3.4437 3.5110 3.5110 3.6390 3.6390 4.3571 4.3571 4.4090 4.4090 4.6886 4.6886 4.7128 4.7128 5.0362 5.0362 5.1982 5.1982 5.2790 5.2790 5.5497 5.5497 6.4187 6.4187 6.4754 6.4754 6.6028 6.6028 6.6321 6.6321 7.0511 7.0511 7.1978 7.1978 10.6218 10.6218 10.6537 10.6537 10.7300 10.7300 11.0317 11.0317 11.0529 11.0529 11.0831 11.0831 k = 0.0000 0.0000 0.3807 ( 5826 PWs) bands (ev): -10.5362 -10.5362 -10.0910 -10.0910 -9.6843 -9.6843 -9.6341 -9.6341 -9.4137 -9.4137 -9.3495 -9.3495 -9.1124 -9.1124 -8.7424 -8.7424 2.1970 2.1970 2.2717 2.2717 2.5000 2.5000 2.5160 2.5160 2.8400 2.8400 2.9701 2.9701 3.1255 3.1255 3.4722 3.4722 3.4887 3.4887 3.6270 3.6270 4.2804 4.2804 4.4245 4.4245 4.6536 4.6536 4.7244 4.7244 4.9797 4.9797 5.1349 5.1349 5.2982 5.2982 5.5319 5.5319 6.4353 6.4353 6.4749 6.4749 6.5961 6.5961 6.6234 6.6234 7.0513 7.0513 7.1858 7.1858 10.6578 10.6578 10.6719 10.6719 10.7397 10.7397 11.0313 11.0313 11.0610 11.0610 11.0978 11.0978 k = 0.0000 0.0000 0.3972 ( 5823 PWs) bands (ev): -10.5065 -10.5065 -10.1223 -10.1223 -9.6813 -9.6813 -9.6377 -9.6377 -9.4096 -9.4096 -9.3541 -9.3541 -9.0885 -9.0885 -8.7695 -8.7695 2.2374 2.2374 2.3172 2.3172 2.5257 2.5257 2.5356 2.5356 2.9231 2.9231 2.9388 2.9388 3.0802 3.0802 3.4384 3.4384 3.4960 3.4960 3.6619 3.6619 4.1905 4.1905 4.4418 4.4418 4.6096 4.6096 4.7508 4.7508 4.9061 4.9061 5.0911 5.0911 5.3174 5.3174 5.5155 5.5155 6.4480 6.4480 6.4757 6.4757 6.5906 6.5906 6.6156 6.6156 7.0535 7.0535 7.1736 7.1736 10.6797 10.6797 10.7014 10.7014 10.7481 10.7481 11.0211 11.0211 11.0756 11.0756 11.1131 11.1131 k = 0.0000 0.0000 0.4138 ( 5827 PWs) bands (ev): -10.4761 -10.4761 -10.1542 -10.1542 -9.6781 -9.6781 -9.6413 -9.6413 -9.4053 -9.4053 -9.3587 -9.3587 -9.0640 -9.0640 -8.7968 -8.7968 2.2768 2.2768 2.3604 2.3604 2.5463 2.5463 2.5595 2.5595 2.8975 2.8975 2.9842 2.9842 3.0684 3.0684 3.4095 3.4095 3.4757 3.4757 3.7323 3.7323 4.0922 4.0922 4.4607 4.4607 4.5638 4.5638 4.7777 4.7777 4.8280 4.8280 5.0580 5.0580 5.3362 5.3362 5.5001 5.5001 6.4568 6.4568 6.4776 6.4776 6.5865 6.5865 6.6086 6.6086 7.0575 7.0575 7.1612 7.1612 10.6943 10.6943 10.7321 10.7321 10.7585 10.7585 11.0072 11.0072 11.0914 11.0914 11.1285 11.1285 k = 0.0000 0.0000 0.4303 ( 5828 PWs) bands (ev): -10.4452 -10.4452 -10.1864 -10.1864 -9.6747 -9.6747 -9.6450 -9.6450 -9.4009 -9.4009 -9.3634 -9.3634 -9.0388 -9.0388 -8.8242 -8.8242 2.3144 2.3144 2.3982 2.3982 2.5649 2.5649 2.5862 2.5862 2.8639 2.8639 2.9512 2.9512 3.1459 3.1459 3.3866 3.3866 3.4491 3.4491 3.8157 3.8157 3.9888 3.9888 4.4809 4.4809 4.5100 4.5100 4.7536 4.7536 4.8075 4.8075 5.0290 5.0290 5.3547 5.3547 5.4851 5.4851 6.4626 6.4626 6.4796 6.4796 6.5840 6.5840 6.6026 6.6026 7.0632 7.0632 7.1488 7.1488 10.7070 10.7070 10.7471 10.7471 10.7818 10.7818 10.9907 10.9907 11.1071 11.1071 11.1433 11.1433 k = 0.0000 0.0000 0.4469 ( 5831 PWs) bands (ev): -10.4137 -10.4137 -10.2189 -10.2189 -9.6712 -9.6712 -9.6488 -9.6488 -9.3964 -9.3964 -9.3682 -9.3682 -9.0131 -9.0131 -8.8517 -8.8517 2.3495 2.3495 2.4261 2.4261 2.5871 2.5871 2.6130 2.6130 2.8322 2.8322 2.9012 2.9012 3.2431 3.2431 3.3705 3.3705 3.4236 3.4236 3.8826 3.8826 3.9050 3.9050 4.4436 4.4436 4.5027 4.5027 4.6939 4.6939 4.8352 4.8352 5.0015 5.0015 5.3728 5.3728 5.4702 5.4702 6.4669 6.4669 6.4808 6.4808 6.5829 6.5829 6.5974 6.5974 7.0707 7.0707 7.1363 7.1363 10.7183 10.7183 10.7507 10.7507 10.8130 10.8130 10.9719 10.9719 11.1226 11.1226 11.1569 11.1569 k = 0.0000 0.0000 0.4634 ( 5836 PWs) bands (ev): -10.3818 -10.3818 -10.2516 -10.2516 -9.6676 -9.6676 -9.6525 -9.6525 -9.3919 -9.3919 -9.3730 -9.3730 -8.9870 -8.9870 -8.8791 -8.8791 2.3811 2.3811 2.4401 2.4401 2.6153 2.6153 2.6384 2.6384 2.8038 2.8038 2.8514 2.8514 3.3414 3.3414 3.3617 3.3617 3.4046 3.4046 3.7752 3.7752 3.9972 3.9972 4.3647 4.3647 4.5259 4.5259 4.6469 4.6469 4.8633 4.8633 4.9743 4.9743 5.3904 5.3904 5.4552 5.4552 6.4705 6.4705 6.4806 6.4806 6.5832 6.5832 6.5930 6.5930 7.0795 7.0795 7.1240 7.1240 10.7281 10.7281 10.7504 10.7504 10.8442 10.8442 10.9508 10.9508 11.1375 11.1375 11.1673 11.1673 k = 0.0000 0.0000 0.4800 ( 5840 PWs) bands (ev): -10.3495 -10.3495 -10.2843 -10.2843 -9.6639 -9.6639 -9.6563 -9.6563 -9.3872 -9.3872 -9.3777 -9.3777 -8.9605 -8.9605 -8.9064 -8.9064 2.4079 2.4079 2.4399 2.4399 2.6456 2.6456 2.6588 2.6588 2.7829 2.7829 2.8076 2.8076 3.3602 3.3602 3.3756 3.3756 3.4569 3.4569 3.6675 3.6675 4.0910 4.0910 4.2772 4.2772 4.5509 4.5509 4.6096 4.6096 4.8914 4.8914 4.9469 4.9469 5.4074 5.4074 5.4398 5.4398 6.4738 6.4738 6.4791 6.4791 6.5844 6.5844 6.5894 6.5894 7.0895 7.0895 7.1120 7.1120 10.7364 10.7364 10.7478 10.7478 10.8739 10.8739 10.9274 10.9274 11.1515 11.1515 11.1701 11.1701 k = 0.0000 0.0000 0.4965 ( 5838 PWs) bands (ev): -10.3170 -10.3170 -10.3170 -10.3170 -9.6601 -9.6601 -9.6601 -9.6601 -9.3825 -9.3825 -9.3825 -9.3825 -8.9336 -8.9336 -8.9336 -8.9336 2.4282 2.4282 2.4282 2.4282 2.6642 2.6642 2.6642 2.6642 2.7810 2.7810 2.7810 2.7810 3.3656 3.3656 3.3656 3.3656 3.5607 3.5607 3.5607 3.5607 4.1850 4.1850 4.1850 4.1850 4.5783 4.5783 4.5783 4.5783 4.9193 4.9193 4.9193 4.9193 5.4239 5.4239 5.4239 5.4239 6.4767 6.4767 6.4767 6.4767 6.5866 6.5866 6.5866 6.5866 7.1004 7.1004 7.1004 7.1004 10.7430 10.7430 10.7430 10.7430 10.9017 10.9017 10.9017 10.9017 11.1634 11.1634 11.1634 11.1634 k = 0.0000 0.0000 0.4965 ( 5838 PWs) bands (ev): -10.3170 -10.3170 -10.3170 -10.3170 -9.6601 -9.6601 -9.6601 -9.6601 -9.3825 -9.3825 -9.3825 -9.3825 -8.9336 -8.9336 -8.9336 -8.9336 2.4282 2.4282 2.4282 2.4282 2.6642 2.6642 2.6642 2.6642 2.7810 2.7810 2.7810 2.7810 3.3656 3.3656 3.3656 3.3656 3.5607 3.5607 3.5607 3.5607 4.1850 4.1850 4.1850 4.1850 4.5783 4.5783 4.5783 4.5783 4.9193 4.9193 4.9193 4.9193 5.4239 5.4239 5.4239 5.4239 6.4767 6.4767 6.4767 6.4767 6.5866 6.5866 6.5866 6.5866 7.1004 7.1004 7.1004 7.1004 10.7430 10.7430 10.7430 10.7430 10.9017 10.9017 10.9017 10.9017 11.1634 11.1634 11.1634 11.1634 k = 0.0000 0.0161 0.4965 ( 5841 PWs) bands (ev): -10.3189 -10.3189 -10.3142 -10.3142 -9.6695 -9.6695 -9.6507 -9.6507 -9.3870 -9.3870 -9.3784 -9.3784 -8.9368 -8.9368 -8.9312 -8.9312 2.4277 2.4277 2.4290 2.4290 2.6643 2.6643 2.6670 2.6670 2.7750 2.7750 2.7901 2.7901 3.3597 3.3597 3.3660 3.3660 3.5588 3.5588 3.5680 3.5680 4.1657 4.1657 4.2047 4.2047 4.5492 4.5492 4.6083 4.6083 4.9142 4.9142 4.9224 4.9224 5.4163 5.4163 5.4329 5.4329 6.4725 6.4725 6.4770 6.4770 6.5642 6.5642 6.6065 6.6065 7.0844 7.0844 7.1120 7.1120 10.7326 10.7326 10.7528 10.7528 10.8855 10.8855 10.9169 10.9169 11.1538 11.1538 11.1696 11.1696 k = 0.0000 0.0323 0.4965 ( 5839 PWs) bands (ev): -10.3200 -10.3200 -10.3105 -10.3105 -9.6790 -9.6790 -9.6414 -9.6414 -9.3918 -9.3918 -9.3746 -9.3746 -8.9408 -8.9408 -8.9295 -8.9295 2.4273 2.4273 2.4299 2.4299 2.6672 2.6672 2.6724 2.6724 2.7723 2.7723 2.8021 2.8021 3.3493 3.3493 3.3604 3.3604 3.5630 3.5630 3.5796 3.5796 4.1469 4.1469 4.2249 4.2249 4.5210 4.5210 4.6389 4.6389 4.9071 4.9071 4.9233 4.9233 5.4102 5.4102 5.4431 5.4431 6.4631 6.4631 6.4734 6.4734 6.5421 6.5421 6.6230 6.6230 7.0643 7.0643 7.1194 7.1194 10.7222 10.7222 10.7610 10.7610 10.8689 10.8689 10.9309 10.9309 11.1422 11.1423 11.1697 11.1698 k = 0.0000 0.0484 0.4965 ( 5836 PWs) bands (ev): -10.3202 -10.3202 -10.3059 -10.3059 -9.6886 -9.6886 -9.6320 -9.6320 -9.3969 -9.3969 -9.3713 -9.3713 -8.9457 -8.9457 -8.9287 -8.9287 2.4272 2.4272 2.4312 2.4312 2.6731 2.6731 2.6805 2.6805 2.7730 2.7730 2.8170 2.8170 3.3357 3.3357 3.3495 3.3495 3.5727 3.5727 3.5942 3.5942 4.1284 4.1284 4.2456 4.2456 4.4938 4.4938 4.6702 4.6702 4.8983 4.8983 4.9218 4.9218 5.4059 5.4059 5.4544 5.4544 6.4444 6.4444 6.4659 6.4659 6.5243 6.5243 6.6354 6.6354 7.0400 7.0400 7.1225 7.1225 10.7120 10.7120 10.7660 10.7660 10.8530 10.8530 10.9430 10.9430 11.1310 11.1311 11.1645 11.1646 k = 0.0000 0.0646 0.4965 ( 5837 PWs) bands (ev): -10.3196 -10.3196 -10.3005 -10.3005 -9.6984 -9.6984 -9.6227 -9.6227 -9.4023 -9.4023 -9.3683 -9.3683 -8.9513 -8.9513 -8.9288 -8.9288 2.4272 2.4272 2.4327 2.4327 2.6817 2.6817 2.6910 2.6910 2.7772 2.7772 2.8346 2.8346 3.3198 3.3198 3.3344 3.3344 3.5870 3.5870 3.6106 3.6106 4.1101 4.1101 4.2669 4.2669 4.4677 4.4677 4.7021 4.7021 4.8878 4.8878 4.9180 4.9180 5.4033 5.4033 5.4665 5.4665 6.4142 6.4142 6.4554 6.4554 6.5130 6.5130 6.6437 6.6437 7.0120 7.0120 7.1217 7.1217 10.7023 10.7023 10.7653 10.7653 10.8396 10.8396 10.9527 10.9527 11.1230 11.1230 11.1594 11.1595 k = 0.0000 0.0807 0.4965 ( 5833 PWs) bands (ev): -10.3181 -10.3181 -10.2941 -10.2941 -9.7083 -9.7083 -9.6134 -9.6134 -9.4079 -9.4079 -9.3657 -9.3657 -8.9577 -8.9577 -8.9296 -8.9296 2.4275 2.4275 2.4347 2.4347 2.6931 2.6931 2.7038 2.7038 2.7850 2.7850 2.8548 2.8548 3.3024 3.3024 3.3163 3.3163 3.6048 3.6048 3.6280 3.6280 4.0919 4.0919 4.2887 4.2887 4.4429 4.4429 4.7344 4.7344 4.8759 4.8759 4.9119 4.9119 5.4025 5.4025 5.4793 5.4793 6.3743 6.3743 6.4422 6.4422 6.5059 6.5059 6.6476 6.6476 6.9804 6.9804 7.1171 7.1171 10.6929 10.6929 10.7565 10.7565 10.8308 10.8308 10.9594 10.9594 11.1199 11.1199 11.1571 11.1571 k = 0.0000 0.0969 0.4965 ( 5829 PWs) bands (ev): -10.3157 -10.3157 -10.2869 -10.2869 -9.7186 -9.7186 -9.6043 -9.6043 -9.4135 -9.4135 -9.3633 -9.3633 -8.9649 -8.9649 -8.9312 -8.9312 2.4281 2.4281 2.4370 2.4370 2.7072 2.7072 2.7187 2.7187 2.7966 2.7966 2.8773 2.8773 3.2839 3.2839 3.2962 3.2962 3.6255 3.6255 3.6460 3.6460 4.0737 4.0737 4.3109 4.3109 4.4194 4.4194 4.7669 4.7669 4.8627 4.8627 4.9037 4.9037 5.4035 5.4035 5.4926 5.4926 6.3276 6.3276 6.4261 6.4261 6.5004 6.5004 6.6470 6.6470 6.9455 6.9455 7.1093 7.1093 10.6836 10.6836 10.7401 10.7401 10.8263 10.8263 10.9624 10.9624 11.1221 11.1221 11.1583 11.1584 k = 0.0000 0.1130 0.4965 ( 5829 PWs) bands (ev): -10.3125 -10.3125 -10.2789 -10.2789 -9.7292 -9.7292 -9.5954 -9.5954 -9.4192 -9.4192 -9.3611 -9.3611 -8.9728 -8.9728 -8.9335 -8.9335 2.4289 2.4289 2.4397 2.4397 2.7240 2.7240 2.7353 2.7353 2.8120 2.8120 2.9021 2.9021 3.2646 3.2646 3.2749 3.2749 3.6484 3.6484 3.6642 3.6642 4.0554 4.0554 4.3336 4.3336 4.3975 4.3975 4.7991 4.7991 4.8486 4.8486 4.8936 4.8936 5.4060 5.4060 5.5063 5.5063 6.2756 6.2756 6.4070 6.4070 6.4953 6.4953 6.6419 6.6419 6.9078 6.9078 7.0986 7.0986 10.6740 10.6740 10.7189 10.7189 10.8239 10.8239 10.9614 10.9614 11.1291 11.1291 11.1640 11.1640 k = 0.0000 0.1292 0.4965 ( 5835 PWs) bands (ev): -10.3085 -10.3085 -10.2699 -10.2699 -9.7403 -9.7403 -9.5868 -9.5868 -9.4247 -9.4247 -9.3589 -9.3589 -8.9814 -8.9814 -8.9367 -8.9367 2.4302 2.4302 2.4429 2.4429 2.7431 2.7431 2.7536 2.7536 2.8310 2.8310 2.9289 2.9289 3.2448 3.2448 3.2530 3.2530 3.6732 3.6732 3.6822 3.6822 4.0368 4.0368 4.3564 4.3564 4.3774 4.3774 4.8242 4.8242 4.8393 4.8393 4.8830 4.8830 5.4099 5.4099 5.5202 5.5202 6.2194 6.2194 6.3848 6.3848 6.4900 6.4900 6.6321 6.6321 6.8678 6.8678 7.0858 7.0858 10.6633 10.6633 10.6957 10.6957 10.8221 10.8221 10.9567 10.9567 11.1400 11.1400 11.1740 11.1742 k = 0.0000 0.1453 0.4965 ( 5845 PWs) bands (ev): -10.3038 -10.3038 -10.2602 -10.2602 -9.7519 -9.7519 -9.5786 -9.5786 -9.4300 -9.4300 -9.3566 -9.3566 -8.9907 -8.9907 -8.9406 -8.9406 2.4319 2.4319 2.4466 2.4466 2.7644 2.7644 2.7736 2.7736 2.8535 2.8535 2.9574 2.9574 3.2246 3.2246 3.2311 3.2311 3.6981 3.6981 3.7017 3.7017 4.0179 4.0179 4.3574 4.3574 4.3811 4.3811 4.8133 4.8133 4.8546 4.8546 4.8816 4.8816 5.4149 5.4149 5.5340 5.5340 6.1597 6.1597 6.3594 6.3594 6.4841 6.4841 6.6176 6.6176 6.8259 6.8259 7.0714 7.0714 10.6497 10.6497 10.6732 10.6732 10.8203 10.8203 10.9491 10.9491 11.1536 11.1536 11.1879 11.1879 k = 0.0000 0.1615 0.4965 ( 5851 PWs) bands (ev): -10.2982 -10.2982 -10.2496 -10.2496 -9.7641 -9.7641 -9.5711 -9.5711 -9.4351 -9.4351 -9.3540 -9.3540 -9.0007 -9.0007 -8.9452 -8.9452 2.4340 2.4340 2.4507 2.4507 2.7875 2.7875 2.7953 2.7953 2.8792 2.8792 2.9871 2.9871 3.2045 3.2045 3.2101 3.2101 3.7161 3.7161 3.7291 3.7291 3.9985 3.9985 4.3406 4.3406 4.4047 4.4047 4.7959 4.7959 4.8470 4.8470 4.9073 4.9073 5.4207 5.4207 5.5474 5.5474 6.0973 6.0973 6.3305 6.3305 6.4770 6.4770 6.5982 6.5982 6.7828 6.7828 7.0560 7.0560 10.6305 10.6305 10.6544 10.6544 10.8185 10.8185 10.9396 10.9396 11.1688 11.1688 11.2037 11.2038 k = 0.0000 0.1776 0.4965 ( 5853 PWs) bands (ev): -10.2919 -10.2919 -10.2381 -10.2381 -9.7770 -9.7770 -9.5643 -9.5643 -9.4397 -9.4397 -9.3509 -9.3509 -9.0113 -9.0113 -8.9505 -8.9505 2.4368 2.4368 2.4553 2.4553 2.8116 2.8116 2.8192 2.8192 2.9075 2.9075 3.0166 3.0166 3.1856 3.1856 3.1905 3.1905 3.7322 3.7322 3.7593 3.7593 3.9787 3.9787 4.3251 4.3251 4.4287 4.4287 4.7772 4.7772 4.8328 4.8328 4.9392 4.9392 5.4268 5.4268 5.5598 5.5598 6.0332 6.0332 6.2984 6.2984 6.4684 6.4684 6.5742 6.5742 6.7395 6.7395 7.0403 7.0403 10.6068 10.6068 10.6385 10.6385 10.8170 10.8170 10.9294 10.9294 11.1849 11.1850 11.2192 11.2193 k = 0.0000 0.1938 0.4965 ( 5853 PWs) bands (ev): -10.2848 -10.2848 -10.2259 -10.2259 -9.7906 -9.7906 -9.5586 -9.5586 -9.4438 -9.4438 -9.3471 -9.3471 -9.0225 -9.0225 -8.9566 -8.9566 2.4401 2.4401 2.4604 2.4604 2.8359 2.8359 2.8455 2.8455 2.9376 2.9376 3.0431 3.0431 3.1699 3.1699 3.1745 3.1745 3.7472 3.7472 3.7911 3.7911 3.9585 3.9585 4.3111 4.3111 4.4527 4.4527 4.7577 4.7577 4.8175 4.8175 4.9715 4.9715 5.4329 5.4329 5.5706 5.5706 5.9688 5.9688 6.2628 6.2628 6.4572 6.4572 6.5457 6.5457 6.6971 6.6971 7.0247 7.0247 10.5815 10.5815 10.6223 10.6223 10.8158 10.8158 10.9194 10.9194 11.2008 11.2008 11.2315 11.2315 k = 0.0000 0.2099 0.4965 ( 5851 PWs) bands (ev): -10.2770 -10.2770 -10.2129 -10.2129 -9.8051 -9.8051 -9.5540 -9.5540 -9.4473 -9.4473 -9.3425 -9.3425 -9.0343 -9.0343 -8.9632 -8.9632 2.4440 2.4440 2.4659 2.4659 2.8600 2.8600 2.8737 2.8737 2.9683 2.9683 3.0603 3.0603 3.1562 3.1562 3.1712 3.1712 3.7608 3.7608 3.8247 3.8247 3.9382 3.9382 4.2985 4.2985 4.4764 4.4764 4.7378 4.7378 4.8025 4.8025 5.0029 5.0029 5.4385 5.4385 5.5782 5.5782 5.9063 5.9063 6.2238 6.2238 6.4422 6.4422 6.5133 6.5133 6.6573 6.6573 7.0094 7.0094 10.5560 10.5560 10.6046 10.6046 10.8153 10.8153 10.9103 10.9103 11.2150 11.2150 11.2431 11.2431 k = 0.0000 0.2261 0.4965 ( 5857 PWs) bands (ev): -10.2686 -10.2686 -10.1992 -10.1992 -9.8204 -9.8204 -9.5509 -9.5509 -9.4501 -9.4501 -9.3367 -9.3367 -9.0466 -9.0466 -8.9706 -8.9706 2.4486 2.4486 2.4718 2.4718 2.8835 2.8835 2.9024 2.9024 2.9973 2.9973 3.0625 3.0625 3.1472 3.1472 3.1874 3.1874 3.7726 3.7726 3.8598 3.8598 3.9179 3.9179 4.2871 4.2871 4.4991 4.4991 4.7181 4.7181 4.7883 4.7883 5.0324 5.0324 5.4432 5.4432 5.5801 5.5801 5.8492 5.8492 6.1815 6.1815 6.4218 6.4218 6.4778 6.4778 6.6221 6.6221 6.9945 6.9945 10.5308 10.5308 10.5849 10.5849 10.8156 10.8156 10.9027 10.9027 11.2258 11.2258 11.2565 11.2565 k = 0.0000 0.2422 0.4965 ( 5858 PWs) bands (ev): -10.2594 -10.2594 -10.1847 -10.1847 -9.8365 -9.8365 -9.5492 -9.5492 -9.4522 -9.4522 -9.3297 -9.3297 -9.0593 -9.0593 -8.9785 -8.9785 2.4538 2.4538 2.4782 2.4782 2.9049 2.9049 2.9296 2.9296 3.0208 3.0208 3.0557 3.0557 3.1483 3.1483 3.2183 3.2183 3.7820 3.7820 3.8959 3.8959 3.8992 3.8992 4.2766 4.2766 4.5198 4.5198 4.6998 4.6998 4.7758 4.7758 5.0588 5.0588 5.4463 5.4463 5.5723 5.5723 5.8030 5.8030 6.1357 6.1357 6.3945 6.3945 6.4401 6.4401 6.5933 6.5933 6.9800 6.9800 10.5061 10.5061 10.5635 10.5635 10.8166 10.8166 10.8965 10.8965 11.2333 11.2333 11.2723 11.2723 k = 0.0000 0.2584 0.4965 ( 5862 PWs) bands (ev): -10.2496 -10.2496 -10.1694 -10.1694 -9.8535 -9.8535 -9.5491 -9.5491 -9.4536 -9.4536 -9.3214 -9.3214 -9.0725 -9.0725 -8.9870 -8.9870 2.4596 2.4596 2.4848 2.4848 2.9214 2.9214 2.9501 2.9501 3.0361 3.0361 3.0523 3.0523 3.1640 3.1640 3.2571 3.2571 3.7879 3.7879 3.8808 3.8808 3.9352 3.9352 4.2669 4.2669 4.5361 4.5361 4.6851 4.6851 4.7653 4.7653 5.0798 5.0798 5.4473 5.4473 5.5516 5.5516 5.7732 5.7732 6.0865 6.0865 6.3599 6.3599 6.4014 6.4014 6.5716 6.5716 6.9659 6.9659 10.4822 10.4822 10.5405 10.5405 10.8186 10.8186 10.8917 10.8917 11.2392 11.2392 11.2895 11.2895 k = 0.0000 0.2745 0.4965 ( 5868 PWs) bands (ev): -10.2392 -10.2392 -10.1535 -10.1535 -9.8713 -9.8713 -9.5507 -9.5507 -9.4542 -9.4542 -9.3118 -9.3118 -9.0861 -9.0861 -8.9960 -8.9960 2.4661 2.4661 2.4919 2.4919 2.9295 2.9295 2.9556 2.9556 3.0502 3.0502 3.0616 3.0616 3.1928 3.1928 3.3002 3.3002 3.7887 3.7887 3.8671 3.8671 3.9752 3.9752 4.2577 4.2577 4.5442 4.5442 4.6778 4.6778 4.7575 4.7575 5.0924 5.0924 5.4454 5.4454 5.5213 5.5213 5.7602 5.7602 6.0339 6.0339 6.3192 6.3192 6.3629 6.3629 6.5562 6.5562 6.9518 6.9518 10.4590 10.4590 10.5165 10.5165 10.8214 10.8214 10.8881 10.8881 11.2444 11.2444 11.3070 11.3070 k = 0.0000 0.2907 0.4965 ( 5863 PWs) bands (ev): -10.2282 -10.2282 -10.1370 -10.1370 -9.8899 -9.8899 -9.5537 -9.5537 -9.4539 -9.4539 -9.3009 -9.3009 -9.1000 -9.1000 -9.0056 -9.0056 2.4732 2.4732 2.4991 2.4991 2.9271 2.9271 2.9459 2.9459 3.0715 3.0715 3.0830 3.0830 3.2295 3.2295 3.3464 3.3464 3.7825 3.7825 3.8591 3.8591 4.0168 4.0168 4.2487 4.2487 4.5404 4.5404 4.6815 4.6815 4.7527 4.7527 5.0917 5.0917 5.4398 5.4398 5.4914 5.4914 5.7592 5.7592 5.9783 5.9783 6.2742 6.2742 6.3257 6.3257 6.5458 6.5458 6.9378 6.9378 10.4367 10.4367 10.4918 10.4918 10.8251 10.8251 10.8854 10.8854 11.2497 11.2497 11.3243 11.3243 k = 0.0000 0.3068 0.4965 ( 5866 PWs) bands (ev): -10.2167 -10.2167 -10.1199 -10.1199 -9.9093 -9.9093 -9.5582 -9.5582 -9.4530 -9.4530 -9.2888 -9.2888 -9.1140 -9.1140 -9.0156 -9.0156 2.4808 2.4808 2.5066 2.5066 2.9161 2.9161 2.9289 2.9289 3.0967 3.0967 3.1138 3.1138 3.2700 3.2700 3.3948 3.3948 3.7702 3.7702 3.8568 3.8568 4.0597 4.0597 4.2399 4.2399 4.5256 4.5256 4.6953 4.6953 4.7515 4.7515 5.0734 5.0734 5.4303 5.4303 5.4716 5.4716 5.7647 5.7647 5.9200 5.9200 6.2266 6.2266 6.2907 6.2907 6.5392 6.5392 6.9235 6.9235 10.4154 10.4154 10.4669 10.4669 10.8296 10.8296 10.8834 10.8834 11.2555 11.2555 11.3410 11.3410 k = 0.0000 0.3230 0.4965 ( 5860 PWs) bands (ev): -10.2046 -10.2046 -10.1022 -10.1022 -9.9293 -9.9293 -9.5639 -9.5639 -9.4513 -9.4513 -9.2758 -9.2758 -9.1282 -9.1282 -9.0261 -9.0261 2.4888 2.4888 2.5142 2.5142 2.8996 2.8996 2.9093 2.9093 3.1248 3.1248 3.1488 3.1488 3.3117 3.3117 3.4451 3.4451 3.7543 3.7543 3.8585 3.8585 4.1038 4.1038 4.2309 4.2309 4.5036 4.5036 4.7150 4.7150 4.7540 4.7540 5.0364 5.0364 5.4179 5.4179 5.4650 5.4650 5.7738 5.7738 5.8596 5.8596 6.1776 6.1776 6.2588 6.2588 6.5353 6.5353 6.9089 6.9089 10.3952 10.3952 10.4422 10.4422 10.8349 10.8349 10.8817 10.8817 11.2621 11.2621 11.3568 11.3568 k = 0.0000 0.3391 0.4965 ( 5862 PWs) bands (ev): -10.1920 -10.1920 -10.0841 -10.0841 -9.9498 -9.9498 -9.5708 -9.5708 -9.4488 -9.4488 -9.2620 -9.2620 -9.1422 -9.1422 -9.0371 -9.0371 2.4972 2.4972 2.5218 2.5218 2.8800 2.8800 2.8887 2.8887 3.1544 3.1544 3.1856 3.1856 3.3529 3.3529 3.4970 3.4970 3.7371 3.7371 3.8629 3.8629 4.1489 4.1489 4.2216 4.2216 4.4771 4.4771 4.7369 4.7369 4.7604 4.7604 4.9848 4.9848 5.4014 5.4014 5.4707 5.4707 5.7841 5.7841 5.7984 5.7984 6.1281 6.1281 6.2304 6.2304 6.5338 6.5338 6.8939 6.8939 10.3760 10.3760 10.4181 10.4181 10.8410 10.8410 10.8801 10.8801 11.2696 11.2696 11.3714 11.3714 k = 0.0000 0.3553 0.4965 ( 5864 PWs) bands (ev): -10.1790 -10.1790 -10.0658 -10.0658 -9.9707 -9.9707 -9.5788 -9.5788 -9.4458 -9.4458 -9.2481 -9.2481 -9.1557 -9.1557 -9.0483 -9.0483 2.5058 2.5058 2.5292 2.5292 2.8591 2.8591 2.8678 2.8678 3.1842 3.1842 3.2231 3.2231 3.3917 3.3917 3.5504 3.5504 3.7204 3.7204 3.8703 3.8703 4.1940 4.1940 4.2122 4.2122 4.4480 4.4480 4.7567 4.7567 4.7713 4.7713 4.9265 4.9265 5.3792 5.3792 5.4861 5.4861 5.7362 5.7362 5.7963 5.7963 6.0789 6.0789 6.2058 6.2058 6.5343 6.5343 6.8783 6.8783 10.3580 10.3580 10.3949 10.3949 10.8477 10.8477 10.8784 10.8784 11.2782 11.2782 11.3846 11.3846 k = 0.0000 0.3714 0.4965 ( 5865 PWs) bands (ev): -10.1656 -10.1656 -10.0480 -10.0480 -9.9910 -9.9910 -9.5876 -9.5876 -9.4420 -9.4420 -9.2351 -9.2351 -9.1676 -9.1676 -9.0600 -9.0600 2.5145 2.5145 2.5363 2.5363 2.8377 2.8377 2.8473 2.8473 3.2129 3.2129 3.2607 3.2607 3.4267 3.4267 3.6049 3.6049 3.7048 3.7048 3.8816 3.8816 4.2007 4.2007 4.2401 4.2401 4.4170 4.4170 4.7640 4.7640 4.7862 4.7862 4.8762 4.8762 5.3504 5.3504 5.5074 5.5074 5.6762 5.6762 5.8080 5.8080 6.0305 6.0305 6.1850 6.1850 6.5367 6.5367 6.8621 6.8621 10.3413 10.3413 10.3729 10.3729 10.8550 10.8550 10.8765 10.8765 11.2878 11.2878 11.3961 11.3961 k = 0.0000 0.3876 0.4965 ( 5869 PWs) bands (ev): -10.1517 -10.1517 -10.0359 -10.0359 -10.0058 -10.0058 -9.5972 -9.5972 -9.4377 -9.4377 -9.2258 -9.2258 -9.1750 -9.1750 -9.0719 -9.0719 2.5229 2.5229 2.5428 2.5428 2.8163 2.8163 2.8275 2.8275 3.2392 3.2392 3.2980 3.2980 3.4566 3.4566 3.6602 3.6602 3.6914 3.6914 3.8984 3.8984 4.1895 4.1895 4.2829 4.2829 4.3852 4.3852 4.7355 4.7355 4.8035 4.8035 4.8624 4.8624 5.3148 5.3148 5.5320 5.5320 5.6195 5.6195 5.8195 5.8195 5.9834 5.9834 6.1679 6.1679 6.5410 6.5410 6.8454 6.8454 10.3259 10.3259 10.3522 10.3522 10.8624 10.8624 10.8746 10.8746 11.2985 11.2985 11.4056 11.4056 k = 0.0000 0.4037 0.4965 ( 5866 PWs) bands (ev): -10.1376 -10.1376 -10.0458 -10.0458 -9.9985 -9.9985 -9.6074 -9.6074 -9.4328 -9.4328 -9.2257 -9.2257 -9.1728 -9.1728 -9.0842 -9.0842 2.5307 2.5307 2.5484 2.5484 2.7952 2.7952 2.8093 2.8093 3.2616 3.2616 3.3345 3.3345 3.4811 3.4811 3.6784 3.6784 3.7177 3.7177 3.9219 3.9219 4.1773 4.1773 4.3157 4.3157 4.3576 4.3576 4.6807 4.6807 4.8239 4.8239 4.8789 4.8789 5.2724 5.2724 5.5544 5.5544 5.5713 5.5713 5.8303 5.8303 5.9382 5.9382 6.1540 6.1540 6.5472 6.5472 6.8281 6.8281 10.3119 10.3119 10.3332 10.3332 10.8677 10.8677 10.8748 10.8748 11.3103 11.3103 11.4131 11.4131 k = 0.0000 0.4199 0.4965 ( 5874 PWs) bands (ev): -10.1231 -10.1231 -10.0666 -10.0666 -9.9802 -9.9802 -9.6183 -9.6183 -9.4274 -9.4274 -9.2342 -9.2342 -9.1614 -9.1614 -9.0966 -9.0966 2.5375 2.5375 2.5525 2.5525 2.7749 2.7749 2.7931 2.7931 3.2784 3.2784 3.3698 3.3698 3.5010 3.5010 3.6687 3.6687 3.7746 3.7746 3.9518 3.9518 4.1648 4.1648 4.3045 4.3045 4.3617 4.3617 4.6289 4.6289 4.8465 4.8465 4.9043 4.9043 5.2245 5.2245 5.5186 5.5186 5.5874 5.5874 5.8387 5.8387 5.8972 5.8972 6.1428 6.1428 6.5554 6.5554 6.8104 6.8104 10.2993 10.2993 10.3158 10.3158 10.8661 10.8661 10.8817 10.8817 11.3231 11.3231 11.4182 11.4182 k = 0.0000 0.4360 0.4965 ( 5876 PWs) bands (ev): -10.1084 -10.1084 -10.0893 -10.0893 -9.9600 -9.9600 -9.6296 -9.6296 -9.4216 -9.4216 -9.2465 -9.2465 -9.1456 -9.1456 -9.1092 -9.1092 2.5428 2.5428 2.5549 2.5549 2.7559 2.7559 2.7794 2.7794 3.2886 3.2886 3.4034 3.4034 3.5169 3.5169 3.6615 3.6615 3.8321 3.8321 3.9858 3.9858 4.1534 4.1534 4.2693 4.2693 4.3641 4.3641 4.6002 4.6002 4.8691 4.8691 4.9327 4.9327 5.1737 5.1737 5.4781 5.4781 5.6138 5.6138 5.8331 5.8331 5.8724 5.8724 6.1337 6.1337 6.5655 6.5655 6.7924 6.7924 10.2882 10.2882 10.3004 10.3004 10.8623 10.8623 10.8905 10.8905 11.3368 11.3368 11.4209 11.4209 k = 0.0000 0.4360 0.4965 ( 5876 PWs) bands (ev): -10.1084 -10.1084 -10.0893 -10.0893 -9.9600 -9.9600 -9.6296 -9.6296 -9.4216 -9.4216 -9.2465 -9.2465 -9.1456 -9.1456 -9.1092 -9.1092 2.5428 2.5428 2.5549 2.5549 2.7559 2.7559 2.7794 2.7794 3.2886 3.2886 3.4034 3.4034 3.5169 3.5169 3.6615 3.6615 3.8321 3.8321 3.9858 3.9858 4.1534 4.1534 4.2693 4.2693 4.3641 4.3641 4.6002 4.6002 4.8691 4.8691 4.9327 4.9327 5.1737 5.1737 5.4781 5.4781 5.6138 5.6138 5.8331 5.8331 5.8724 5.8724 6.1337 6.1337 6.5655 6.5655 6.7924 6.7924 10.2882 10.2882 10.3004 10.3004 10.8623 10.8623 10.8905 10.8905 11.3368 11.3368 11.4209 11.4209 k = 0.0000 0.4458 0.4845 ( 5876 PWs) bands (ev): -10.1128 -10.1128 -10.0963 -10.0963 -9.9303 -9.9303 -9.6449 -9.6449 -9.4151 -9.4151 -9.2648 -9.2648 -9.1406 -9.1406 -9.1081 -9.1081 2.5404 2.5404 2.5484 2.5484 2.7471 2.7471 2.7717 2.7717 3.3175 3.3175 3.4067 3.4067 3.5575 3.5575 3.6992 3.6992 3.8528 3.8528 4.0135 4.0135 4.1845 4.1845 4.2204 4.2204 4.3337 4.3337 4.5750 4.5750 4.9075 4.9075 4.9161 4.9161 5.1664 5.1664 5.4732 5.4732 5.5895 5.5895 5.7780 5.7780 5.8851 5.8851 6.1106 6.1106 6.5751 6.5751 6.7756 6.7756 10.2760 10.2760 10.2867 10.2867 10.8689 10.8689 10.8916 10.8916 11.3487 11.3487 11.4288 11.4288 k = 0.0000 0.4557 0.4725 ( 5870 PWs) bands (ev): -10.1163 -10.1163 -10.1025 -10.1025 -9.9011 -9.9011 -9.6617 -9.6617 -9.4077 -9.4077 -9.2827 -9.2827 -9.1354 -9.1354 -9.1076 -9.1076 2.5376 2.5376 2.5428 2.5428 2.7403 2.7403 2.7641 2.7641 3.3419 3.3419 3.4095 3.4095 3.5995 3.5995 3.7374 3.7374 3.8651 3.8651 4.0412 4.0412 4.1706 4.1706 4.2163 4.2163 4.3044 4.3044 4.5482 4.5482 4.8960 4.8960 4.9485 4.9485 5.1705 5.1705 5.4701 5.4701 5.5654 5.5654 5.7175 5.7175 5.9027 5.9027 6.0884 6.0884 6.5865 6.5865 6.7579 6.7579 10.2657 10.2657 10.2747 10.2747 10.8747 10.8747 10.8925 10.8925 11.3609 11.3609 11.4340 11.4340 k = 0.0000 0.4655 0.4604 ( 5874 PWs) bands (ev): -10.1189 -10.1189 -10.1079 -10.1079 -9.8726 -9.8726 -9.6800 -9.6800 -9.3996 -9.3996 -9.2997 -9.2997 -9.1304 -9.1304 -9.1077 -9.1077 2.5347 2.5347 2.5382 2.5382 2.7355 2.7355 2.7568 2.7568 3.3620 3.3620 3.4117 3.4117 3.6423 3.6423 3.7757 3.7757 3.8687 3.8687 4.0687 4.0687 4.1215 4.1215 4.2475 4.2475 4.2767 4.2767 4.5189 4.5189 4.8917 4.8917 4.9676 4.9676 5.1907 5.1907 5.4691 5.4691 5.5413 5.5413 5.6572 5.6572 5.9205 5.9205 6.0673 6.0673 6.5997 6.5997 6.7397 6.7397 10.2572 10.2572 10.2645 10.2645 10.8796 10.8796 10.8931 10.8931 11.3733 11.3733 11.4363 11.4363 k = 0.0000 0.4753 0.4484 ( 5875 PWs) bands (ev): -10.1207 -10.1207 -10.1124 -10.1124 -9.8448 -9.8448 -9.6997 -9.6997 -9.3906 -9.3906 -9.3158 -9.3158 -9.1257 -9.1257 -9.1085 -9.1085 2.5322 2.5322 2.5347 2.5347 2.7328 2.7328 2.7501 2.7501 3.3781 3.3781 3.4128 3.4128 3.6852 3.6852 3.8142 3.8142 3.8637 3.8637 4.0720 4.0720 4.0964 4.0964 4.2482 4.2482 4.2815 4.2815 4.4871 4.4871 4.8954 4.8954 4.9713 4.9713 5.2270 5.2270 5.4706 5.4706 5.5158 5.5158 5.5997 5.5997 5.9382 5.9382 6.0470 6.0470 6.6143 6.6143 6.7210 6.7210 10.2507 10.2507 10.2563 10.2563 10.8837 10.8837 10.8935 10.8935 11.3856 11.3856 11.4357 11.4357 k = 0.0000 0.4851 0.4364 ( 5871 PWs) bands (ev): -10.1216 -10.1216 -10.1160 -10.1160 -9.8179 -9.8179 -9.7209 -9.7209 -9.3806 -9.3806 -9.3309 -9.3309 -9.1214 -9.1214 -9.1099 -9.1099 2.5303 2.5303 2.5320 2.5320 2.7319 2.7319 2.7442 2.7442 3.3906 3.3906 3.4125 3.4125 3.7268 3.7268 3.8495 3.8495 3.8539 3.8539 4.0247 4.0247 4.1224 4.1224 4.2227 4.2227 4.3143 4.3143 4.4533 4.4533 4.9053 4.9053 4.9642 4.9642 5.2745 5.2745 5.4733 5.4733 5.4858 5.4858 5.5508 5.5508 5.9557 5.9557 6.0276 6.0276 6.6302 6.6302 6.7022 6.7022 10.2463 10.2463 10.2501 10.2501 10.8871 10.8871 10.8934 10.8934 11.3974 11.3974 11.4324 11.4324 k = 0.0000 0.4950 0.4244 ( 5872 PWs) bands (ev): -10.1216 -10.1216 -10.1188 -10.1188 -9.7919 -9.7919 -9.7433 -9.7433 -9.3697 -9.3697 -9.3449 -9.3449 -9.1177 -9.1177 -9.1119 -9.1119 2.5292 2.5292 2.5301 2.5301 2.7328 2.7328 2.7392 2.7392 3.3999 3.3999 3.4105 3.4105 3.7658 3.7658 3.8287 3.8287 3.8933 3.8933 3.9789 3.9789 4.1479 4.1479 4.1977 4.1977 4.3484 4.3484 4.4184 4.4184 4.9193 4.9193 4.9511 4.9511 5.3280 5.3280 5.4374 5.4374 5.4851 5.4851 5.5179 5.5179 5.9732 5.9732 6.0090 6.0090 6.6472 6.6472 6.6834 6.6834 10.2441 10.2441 10.2459 10.2459 10.8897 10.8897 10.8928 10.8928 11.4085 11.4085 11.4264 11.4264 k = 0.0000 0.5048 0.4123 ( 5876 PWs) bands (ev): -10.1206 -10.1206 -10.1206 -10.1206 -9.7670 -9.7670 -9.7670 -9.7670 -9.3578 -9.3578 -9.3578 -9.3578 -9.1145 -9.1145 -9.1145 -9.1145 2.5292 2.5292 2.5292 2.5292 2.7353 2.7353 2.7353 2.7353 3.4064 3.4064 3.4064 3.4064 3.8002 3.8002 3.8002 3.8002 3.9351 3.9351 3.9351 3.9351 4.1729 4.1729 4.1729 4.1729 4.3832 4.3832 4.3832 4.3832 4.9353 4.9353 4.9353 4.9353 5.3837 5.3837 5.3837 5.3837 5.4979 5.4979 5.4979 5.4979 5.9909 5.9909 5.9909 5.9909 6.6650 6.6650 6.6650 6.6650 10.2439 10.2439 10.2439 10.2439 10.8915 10.8915 10.8915 10.8915 11.4183 11.4183 11.4183 11.4183 k = 0.0000 0.5048 0.4123 ( 5876 PWs) bands (ev): -10.1206 -10.1206 -10.1206 -10.1206 -9.7670 -9.7670 -9.7670 -9.7670 -9.3578 -9.3578 -9.3578 -9.3578 -9.1145 -9.1145 -9.1145 -9.1145 2.5292 2.5292 2.5292 2.5292 2.7353 2.7353 2.7353 2.7353 3.4064 3.4064 3.4064 3.4064 3.8002 3.8002 3.8002 3.8002 3.9351 3.9351 3.9351 3.9351 4.1729 4.1729 4.1729 4.1729 4.3832 4.3832 4.3832 4.3832 4.9353 4.9353 4.9353 4.9353 5.3837 5.3837 5.3837 5.3837 5.4979 5.4979 5.4979 5.4979 5.9909 5.9909 5.9909 5.9909 6.6650 6.6650 6.6650 6.6650 10.2439 10.2439 10.2439 10.2439 10.8915 10.8915 10.8915 10.8915 11.4183 11.4183 11.4183 11.4183 k = 0.0167 0.5048 0.4123 ( 5874 PWs) bands (ev): -10.1206 -10.1206 -10.1205 -10.1205 -9.7681 -9.7681 -9.7676 -9.7676 -9.3576 -9.3576 -9.3564 -9.3564 -9.1148 -9.1148 -9.1142 -9.1142 2.5302 2.5302 2.5302 2.5302 2.7351 2.7351 2.7356 2.7356 3.4032 3.4032 3.4044 3.4044 3.7878 3.7878 3.7972 3.7972 3.9389 3.9389 3.9440 3.9440 4.1743 4.1743 4.1769 4.1769 4.3839 4.3839 4.3856 4.3856 4.9363 4.9363 4.9365 4.9365 5.3835 5.3835 5.3838 5.3838 5.4979 5.4979 5.4986 5.4986 5.9906 5.9906 5.9912 5.9912 6.6631 6.6631 6.6640 6.6640 10.2419 10.2419 10.2440 10.2440 10.8898 10.8898 10.8916 10.8916 11.4148 11.4148 11.4197 11.4197 k = 0.0333 0.5048 0.4123 ( 5874 PWs) bands (ev): -10.1205 -10.1205 -10.1204 -10.1204 -9.7707 -9.7707 -9.7696 -9.7696 -9.3558 -9.3558 -9.3533 -9.3533 -9.1153 -9.1153 -9.1141 -9.1141 2.5331 2.5331 2.5332 2.5332 2.7349 2.7349 2.7360 2.7360 3.3950 3.3950 3.3973 3.3973 3.7653 3.7653 3.7806 3.7806 3.9535 3.9535 3.9605 3.9605 4.1811 4.1811 4.1862 4.1862 4.3874 4.3874 4.3908 4.3908 4.9395 4.9395 4.9398 4.9398 5.3831 5.3831 5.3835 5.3835 5.4987 5.4987 5.5002 5.5002 5.9902 5.9902 5.9914 5.9914 6.6582 6.6582 6.6599 6.6599 10.2380 10.2380 10.2420 10.2420 10.8864 10.8864 10.8900 10.8900 11.4091 11.4091 11.4190 11.4190 k = 0.0500 0.5048 0.4123 ( 5868 PWs) bands (ev): -10.1203 -10.1203 -10.1201 -10.1201 -9.7746 -9.7746 -9.7731 -9.7731 -9.3525 -9.3525 -9.3489 -9.3489 -9.1158 -9.1158 -9.1140 -9.1140 2.5380 2.5380 2.5380 2.5380 2.7348 2.7348 2.7364 2.7364 3.3822 3.3822 3.3854 3.3854 3.7380 3.7380 3.7565 3.7565 3.9723 3.9723 3.9788 3.9788 4.1938 4.1938 4.2011 4.2011 4.3937 4.3937 4.3987 4.3987 4.9447 4.9447 4.9451 4.9451 5.3825 5.3825 5.3828 5.3828 5.5004 5.5004 5.5027 5.5027 5.9898 5.9898 5.9916 5.9916 6.6503 6.6503 6.6529 6.6529 10.2321 10.2321 10.2382 10.2382 10.8813 10.8813 10.8867 10.8867 11.4008 11.4008 11.4161 11.4161 k = 0.0667 0.5048 0.4123 ( 5866 PWs) bands (ev): -10.1201 -10.1201 -10.1198 -10.1198 -9.7798 -9.7798 -9.7778 -9.7778 -9.3479 -9.3479 -9.3432 -9.3432 -9.1163 -9.1163 -9.1139 -9.1139 2.5446 2.5446 2.5447 2.5447 2.7348 2.7348 2.7368 2.7368 3.3655 3.3655 3.3691 3.3691 3.7088 3.7088 3.7290 3.7290 3.9907 3.9907 3.9960 3.9960 4.2123 4.2123 4.2213 4.2213 4.4024 4.4024 4.4089 4.4089 4.9518 4.9518 4.9521 4.9521 5.3816 5.3816 5.3816 5.3816 5.5034 5.5034 5.5067 5.5067 5.9891 5.9891 5.9916 5.9916 6.6396 6.6396 6.6431 6.6431 10.2245 10.2245 10.2324 10.2324 10.8747 10.8747 10.8816 10.8816 11.3897 11.3897 11.4109 11.4109 k = 0.0833 0.5048 0.4123 ( 5862 PWs) bands (ev): -10.1198 -10.1198 -10.1194 -10.1194 -9.7858 -9.7858 -9.7836 -9.7836 -9.3423 -9.3423 -9.3367 -9.3367 -9.1168 -9.1168 -9.1136 -9.1136 2.5530 2.5530 2.5530 2.5530 2.7348 2.7348 2.7373 2.7373 3.3455 3.3455 3.3494 3.3494 3.6793 3.6793 3.7002 3.7002 4.0069 4.0069 4.0110 4.0110 4.2363 4.2363 4.2462 4.2462 4.4133 4.4133 4.4212 4.4212 4.9602 4.9602 4.9604 4.9604 5.3798 5.3798 5.3803 5.3803 5.5081 5.5081 5.5124 5.5124 5.9881 5.9881 5.9913 5.9913 6.6263 6.6263 6.6307 6.6307 10.2151 10.2151 10.2247 10.2247 10.8666 10.8666 10.8747 10.8747 11.3755 11.3755 11.4031 11.4031 k = 0.1000 0.5048 0.4123 ( 5858 PWs) bands (ev): -10.1196 -10.1196 -10.1191 -10.1191 -9.7926 -9.7926 -9.7902 -9.7902 -9.3361 -9.3361 -9.3297 -9.3297 -9.1170 -9.1170 -9.1131 -9.1131 2.5628 2.5628 2.5629 2.5629 2.7348 2.7348 2.7377 2.7377 3.3230 3.3230 3.3268 3.3268 3.6500 3.6500 3.6712 3.6712 4.0205 4.0205 4.0237 4.0237 4.2648 4.2648 4.2749 4.2749 4.4261 4.4261 4.4353 4.4353 4.9694 4.9694 4.9695 4.9695 5.3774 5.3774 5.3788 5.3788 5.5149 5.5149 5.5201 5.5201 5.9866 5.9866 5.9906 5.9906 6.6106 6.6106 6.6157 6.6157 10.2040 10.2040 10.2153 10.2153 10.8570 10.8570 10.8662 10.8662 11.3579 11.3579 11.3922 11.3922 k = 0.1167 0.5048 0.4123 ( 5854 PWs) bands (ev): -10.1194 -10.1194 -10.1188 -10.1188 -9.7998 -9.7998 -9.7972 -9.7972 -9.3296 -9.3296 -9.3225 -9.3225 -9.1168 -9.1168 -9.1122 -9.1122 2.5739 2.5739 2.5741 2.5741 2.7349 2.7349 2.7382 2.7382 3.2988 3.2988 3.3022 3.3022 3.6216 3.6216 3.6426 3.6426 4.0318 4.0318 4.0347 4.0347 4.2964 4.2964 4.3060 4.3060 4.4404 4.4404 4.4510 4.4510 4.9787 4.9787 4.9792 4.9792 5.3749 5.3749 5.3773 5.3773 5.5241 5.5241 5.5300 5.5300 5.9844 5.9844 5.9893 5.9893 6.5928 6.5928 6.5986 6.5986 10.1914 10.1914 10.2043 10.2043 10.8460 10.8460 10.8559 10.8559 11.3371 11.3371 11.3781 11.3781 k = 0.1333 0.5048 0.4123 ( 5858 PWs) bands (ev): -10.1193 -10.1193 -10.1187 -10.1187 -9.8072 -9.8072 -9.8046 -9.8046 -9.3231 -9.3231 -9.3156 -9.3156 -9.1162 -9.1162 -9.1107 -9.1107 2.5858 2.5858 2.5862 2.5862 2.7351 2.7351 2.7386 2.7386 3.2736 3.2736 3.2765 3.2765 3.5942 3.5942 3.6149 3.6149 4.0416 4.0416 4.0444 4.0444 4.3294 4.3294 4.3382 4.3382 4.4563 4.4563 4.4682 4.4682 4.9876 4.9876 4.9885 4.9885 5.3726 5.3726 5.3759 5.3759 5.5357 5.5357 5.5420 5.5420 5.9814 5.9814 5.9874 5.9874 6.5731 6.5731 6.5796 6.5796 10.1774 10.1774 10.1916 10.1916 10.8337 10.8337 10.8440 10.8440 11.3132 11.3132 11.3606 11.3606 k = 0.1500 0.5048 0.4123 ( 5858 PWs) bands (ev): -10.1193 -10.1193 -10.1188 -10.1188 -9.8145 -9.8145 -9.8119 -9.8119 -9.3172 -9.3172 -9.3093 -9.3093 -9.1148 -9.1148 -9.1085 -9.1085 2.5983 2.5983 2.5990 2.5990 2.7355 2.7355 2.7392 2.7392 3.2480 3.2480 3.2502 3.2502 3.5680 3.5680 3.5882 3.5882 4.0505 4.0505 4.0535 4.0535 4.3624 4.3624 4.3700 4.3700 4.4738 4.4738 4.4872 4.4872 4.9955 4.9955 4.9967 4.9967 5.3710 5.3710 5.3752 5.3752 5.5498 5.5498 5.5562 5.5562 5.9773 5.9773 5.9846 5.9846 6.5521 6.5521 6.5591 6.5591 10.1620 10.1620 10.1775 10.1775 10.8201 10.8201 10.8304 10.8304 11.2868 11.2868 11.3398 11.3398 k = 0.1667 0.5048 0.4123 ( 5856 PWs) bands (ev): -10.1196 -10.1196 -10.1191 -10.1191 -9.8216 -9.8216 -9.8190 -9.8190 -9.3120 -9.3120 -9.3039 -9.3039 -9.1125 -9.1125 -9.1053 -9.1053 2.6108 2.6108 2.6118 2.6118 2.7363 2.7363 2.7401 2.7401 3.2227 3.2227 3.2241 3.2241 3.5434 3.5434 3.5630 3.5630 4.0592 4.0592 4.0624 4.0624 4.3940 4.3940 4.4002 4.4002 4.4932 4.4932 4.5080 4.5080 5.0018 5.0018 5.0032 5.0032 5.3707 5.3707 5.3757 5.3757 5.5663 5.5663 5.5723 5.5723 5.9719 5.9719 5.9807 5.9807 6.5301 6.5301 6.5376 6.5376 10.1455 10.1455 10.1619 10.1619 10.8053 10.8053 10.8152 10.8152 11.2585 11.2585 11.3165 11.3165 k = 0.1833 0.5048 0.4123 ( 5850 PWs) bands (ev): -10.1202 -10.1202 -10.1197 -10.1197 -9.8282 -9.8282 -9.8257 -9.8257 -9.3080 -9.3080 -9.2997 -9.2997 -9.1093 -9.1093 -9.1011 -9.1011 2.6225 2.6225 2.6240 2.6240 2.7379 2.7379 2.7415 2.7415 3.1982 3.1982 3.1989 3.1989 3.5203 3.5203 3.5393 3.5393 4.0681 4.0681 4.0715 4.0715 4.4228 4.4228 4.4274 4.4274 4.5148 4.5148 4.5309 4.5309 5.0061 5.0061 5.0075 5.0075 5.3722 5.3722 5.3776 5.3776 5.5849 5.5849 5.5901 5.5901 5.9652 5.9652 5.9757 5.9757 6.5077 6.5077 6.5156 6.5156 10.1278 10.1278 10.1451 10.1451 10.7893 10.7893 10.7985 10.7985 11.2290 11.2290 11.2911 11.2911 k = 0.2000 0.5048 0.4123 ( 5844 PWs) bands (ev): -10.1211 -10.1211 -10.1206 -10.1206 -9.8341 -9.8341 -9.8318 -9.8318 -9.3052 -9.3052 -9.2968 -9.2968 -9.1050 -9.1050 -9.0959 -9.0959 2.6327 2.6327 2.6348 2.6348 2.7404 2.7404 2.7439 2.7439 3.1750 3.1750 3.1751 3.1751 3.4990 3.4990 3.5173 3.5173 4.0776 4.0776 4.0812 4.0812 4.4481 4.4481 4.4507 4.4507 4.5385 4.5385 4.5558 4.5558 5.0080 5.0080 5.0091 5.0091 5.3757 5.3757 5.3813 5.3813 5.6052 5.6052 5.6090 5.6090 5.9570 5.9570 5.9696 5.9696 6.4856 6.4856 6.4937 6.4937 10.1091 10.1091 10.1272 10.1272 10.7722 10.7722 10.7804 10.7804 11.1990 11.1990 11.2645 11.2645 k = 0.2167 0.5048 0.4123 ( 5846 PWs) bands (ev): -10.1224 -10.1224 -10.1219 -10.1219 -9.8393 -9.8393 -9.8371 -9.8371 -9.3037 -9.3037 -9.2953 -9.2953 -9.0996 -9.0996 -9.0896 -9.0896 2.6406 2.6406 2.6433 2.6433 2.7443 2.7443 2.7475 2.7475 3.1531 3.1531 3.1538 3.1538 3.4796 3.4796 3.4972 3.4972 4.0879 4.0879 4.0917 4.0917 4.4698 4.4698 4.4702 4.4702 4.5638 4.5638 4.5823 4.5823 5.0076 5.0076 5.0080 5.0080 5.3812 5.3812 5.3867 5.3867 5.6267 5.6267 5.6286 5.6286 5.9473 5.9473 5.9625 5.9625 6.4642 6.4642 6.4723 6.4723 10.0895 10.0895 10.1082 10.1082 10.7540 10.7540 10.7609 10.7609 11.1691 11.1691 11.2375 11.2375 k = 0.2333 0.5048 0.4123 ( 5840 PWs) bands (ev): -10.1240 -10.1240 -10.1236 -10.1236 -9.8436 -9.8436 -9.8417 -9.8417 -9.3037 -9.3037 -9.2952 -9.2952 -9.0933 -9.0933 -9.0824 -9.0824 2.6456 2.6456 2.6489 2.6489 2.7496 2.7496 2.7524 2.7524 3.1336 3.1336 3.1350 3.1350 3.4622 3.4622 3.4790 3.4790 4.0994 4.0994 4.1032 4.1032 4.4861 4.4861 4.4880 4.4880 4.5897 4.5897 4.6093 4.6093 5.0045 5.0045 5.0051 5.0051 5.3887 5.3887 5.3939 5.3939 5.6480 5.6480 5.6484 5.6484 5.9365 5.9365 5.9548 5.9548 6.4442 6.4442 6.4522 6.4522 10.0692 10.0692 10.0884 10.0884 10.7349 10.7349 10.7401 10.7401 11.1399 11.1399 11.2107 11.2107 k = 0.2500 0.5048 0.4123 ( 5844 PWs) bands (ev): -10.1261 -10.1261 -10.1257 -10.1257 -9.8471 -9.8471 -9.8454 -9.8454 -9.3049 -9.3049 -9.2964 -9.2964 -9.0862 -9.0862 -9.0744 -9.0744 2.6477 2.6477 2.6514 2.6514 2.7559 2.7559 2.7584 2.7584 3.1173 3.1173 3.1192 3.1192 3.4467 3.4467 3.4628 3.4628 4.1123 4.1123 4.1161 4.1161 4.4988 4.4988 4.5031 4.5031 4.6152 4.6152 4.6359 4.6359 4.9990 4.9990 5.0008 5.0008 5.3977 5.3977 5.4024 5.4024 5.6661 5.6661 5.6692 5.6692 5.9252 5.9252 5.9471 5.9471 6.4261 6.4261 6.4337 6.4337 10.0483 10.0483 10.0678 10.0678 10.7149 10.7149 10.7184 10.7184 11.1119 11.1119 11.1846 11.1846 k = 0.2667 0.5048 0.4123 ( 5848 PWs) bands (ev): -10.1285 -10.1285 -10.1281 -10.1281 -9.8497 -9.8497 -9.8481 -9.8481 -9.3072 -9.3072 -9.2987 -9.2987 -9.0784 -9.0784 -9.0658 -9.0658 2.6471 2.6471 2.6511 2.6511 2.7623 2.7623 2.7645 2.7645 3.1044 3.1044 3.1067 3.1067 3.4332 3.4332 3.4485 3.4485 4.1267 4.1267 4.1304 4.1304 4.5089 4.5089 4.5155 4.5155 4.6394 4.6394 4.6611 4.6611 4.9920 4.9920 4.9952 4.9952 5.4076 5.4076 5.4118 5.4118 5.6816 5.6816 5.6877 5.6877 5.9148 5.9148 5.9405 5.9405 6.4103 6.4103 6.4174 6.4174 10.0269 10.0269 10.0467 10.0467 10.6941 10.6941 10.6957 10.6957 11.0854 11.0854 11.1596 11.1596 k = 0.2833 0.5048 0.4123 ( 5852 PWs) bands (ev): -10.1312 -10.1312 -10.1309 -10.1309 -9.8514 -9.8514 -9.8500 -9.8500 -9.3104 -9.3104 -9.3019 -9.3019 -9.0703 -9.0703 -9.0570 -9.0570 2.6444 2.6444 2.6485 2.6485 2.7680 2.7680 2.7699 2.7699 3.0955 3.0955 3.0979 3.0979 3.4216 3.4216 3.4362 3.4362 4.1428 4.1428 4.1463 4.1463 4.5164 4.5164 4.5253 4.5253 4.6615 4.6615 4.6841 4.6841 4.9843 4.9843 4.9889 4.9889 5.4177 5.4177 5.4215 5.4215 5.6931 5.6931 5.7017 5.7017 5.9072 5.9072 5.9366 5.9366 6.3971 6.3971 6.4035 6.4035 10.0053 10.0053 10.0252 10.0252 10.6725 10.6725 10.6727 10.6727 11.0609 11.0609 11.1360 11.1360 k = 0.3000 0.5048 0.4123 ( 5858 PWs) bands (ev): -10.1341 -10.1341 -10.1339 -10.1339 -9.8522 -9.8522 -9.8511 -9.8511 -9.3144 -9.3144 -9.3058 -9.3058 -9.0619 -9.0619 -9.0480 -9.0480 2.6401 2.6401 2.6441 2.6441 2.7721 2.7721 2.7738 2.7738 3.0906 3.0906 3.0930 3.0930 3.4120 3.4120 3.4257 3.4257 4.1608 4.1608 4.1639 4.1639 4.5215 4.5215 4.5328 4.5328 4.6810 4.6810 4.7041 4.7041 4.9768 4.9768 4.9828 4.9828 5.4273 5.4273 5.4307 5.4307 5.6993 5.6993 5.7092 5.7092 5.9047 5.9047 5.9366 5.9366 6.3866 6.3866 6.3922 6.3922 9.9836 9.9836 10.0036 10.0036 10.6489 10.6489 10.6508 10.6508 11.0384 11.0384 11.1141 11.1141 k = 0.3167 0.5048 0.4123 ( 5854 PWs) bands (ev): -10.1373 -10.1373 -10.1371 -10.1371 -9.8524 -9.8524 -9.8515 -9.8515 -9.3189 -9.3189 -9.3103 -9.3103 -9.0536 -9.0536 -9.0391 -9.0391 2.6347 2.6347 2.6385 2.6385 2.7743 2.7743 2.7757 2.7757 3.0897 3.0897 3.0917 3.0917 3.4041 3.4041 3.4171 3.4171 4.1806 4.1806 4.1832 4.1832 4.5245 4.5245 4.5380 4.5380 4.6970 4.6970 4.7202 4.7202 4.9706 4.9706 4.9776 4.9776 5.4353 5.4353 5.4385 5.4385 5.7001 5.7001 5.7093 5.7093 5.9086 5.9086 5.9413 5.9413 6.3787 6.3787 6.3834 6.3834 9.9621 9.9621 9.9821 9.9821 10.6254 10.6254 10.6289 10.6289 11.0181 11.0181 11.0940 11.0940 k = 0.3333 0.5048 0.4123 ( 5846 PWs) bands (ev): -10.1405 -10.1405 -10.1404 -10.1404 -9.8519 -9.8519 -9.8512 -9.8512 -9.3238 -9.3238 -9.3150 -9.3150 -9.0455 -9.0455 -9.0305 -9.0305 2.6287 2.6287 2.6322 2.6322 2.7744 2.7744 2.7755 2.7755 3.0921 3.0921 3.0937 3.0937 3.3978 3.3978 3.4101 3.4101 4.2024 4.2024 4.2044 4.2044 4.5254 4.5254 4.5411 4.5411 4.7088 4.7088 4.7313 4.7313 4.9667 4.9667 4.9742 4.9742 5.4405 5.4405 5.4437 5.4437 5.6967 5.6967 5.7033 5.7033 5.9184 5.9184 5.9503 5.9503 6.3733 6.3733 6.3771 6.3771 9.9411 9.9411 9.9610 9.9610 10.6022 10.6022 10.6071 10.6071 11.0000 11.0000 11.0756 11.0756 k = 0.3500 0.5048 0.4123 ( 5848 PWs) bands (ev): -10.1437 -10.1437 -10.1437 -10.1437 -9.8510 -9.8510 -9.8504 -9.8504 -9.3288 -9.3288 -9.3199 -9.3199 -9.0377 -9.0377 -9.0223 -9.0223 2.6222 2.6222 2.6254 2.6254 2.7728 2.7728 2.7735 2.7735 3.0972 3.0972 3.0983 3.0983 3.3931 3.3931 3.4047 3.4047 4.2261 4.2261 4.2273 4.2273 4.5247 4.5247 4.5422 4.5422 4.7154 4.7154 4.7367 4.7367 4.9663 4.9663 4.9738 4.9738 5.4420 5.4420 5.4453 5.4453 5.6912 5.6912 5.6941 5.6941 5.9322 5.9322 5.9624 5.9624 6.3701 6.3701 6.3729 6.3729 9.9209 9.9209 9.9407 9.9407 10.5797 10.5797 10.5859 10.5859 10.9840 10.9840 11.0590 11.0590 k = 0.3667 0.5048 0.4123 ( 5848 PWs) bands (ev): -10.1469 -10.1469 -10.1469 -10.1469 -9.8497 -9.8497 -9.8492 -9.8492 -9.3338 -9.3338 -9.3248 -9.3248 -9.0304 -9.0304 -9.0146 -9.0146 2.6157 2.6157 2.6186 2.6186 2.7699 2.7699 2.7702 2.7702 3.1042 3.1042 3.1047 3.1047 3.3898 3.3898 3.4006 3.4006 4.2516 4.2516 4.2517 4.2517 4.5227 4.5227 4.5417 4.5417 4.7161 4.7161 4.7356 4.7356 4.9701 4.9701 4.9769 4.9769 5.4387 5.4387 5.4422 5.4422 5.6847 5.6847 5.6858 5.6858 5.9480 5.9480 5.9761 5.9761 6.3688 6.3688 6.3707 6.3707 9.9016 9.9016 9.9214 9.9214 10.5583 10.5583 10.5656 10.5656 10.9701 10.9701 11.0442 11.0442 k = 0.3833 0.5048 0.4123 ( 5844 PWs) bands (ev): -10.1499 -10.1499 -10.1499 -10.1499 -9.8481 -9.8481 -9.8478 -9.8478 -9.3387 -9.3387 -9.3295 -9.3295 -9.0237 -9.0237 -9.0076 -9.0076 2.6094 2.6094 2.6120 2.6120 2.7661 2.7661 2.7662 2.7662 3.1120 3.1120 3.1122 3.1122 3.3876 3.3876 3.3978 3.3978 4.2776 4.2776 4.2786 4.2786 4.5199 4.5199 4.5398 4.5398 4.7109 4.7109 4.7282 4.7282 4.9779 4.9779 4.9837 4.9837 5.4304 5.4304 5.4340 5.4340 5.6773 5.6773 5.6822 5.6822 5.9642 5.9642 5.9902 5.9902 6.3690 6.3690 6.3701 6.3701 9.8837 9.8837 9.9034 9.9034 10.5384 10.5384 10.5466 10.5466 10.9581 10.9581 11.0312 11.0312 k = 0.4000 0.5048 0.4123 ( 5844 PWs) bands (ev): -10.1527 -10.1527 -10.1527 -10.1527 -9.8464 -9.8464 -9.8462 -9.8462 -9.3432 -9.3432 -9.3339 -9.3339 -9.0178 -9.0178 -9.0013 -9.0013 2.6035 2.6035 2.6058 2.6058 2.7617 2.7617 2.7621 2.7621 3.1196 3.1196 3.1204 3.1204 3.3863 3.3863 3.3959 3.3959 4.3044 4.3044 4.3070 4.3070 4.5168 4.5168 4.5370 4.5370 4.7000 4.7000 4.7153 4.7153 4.9891 4.9891 4.9937 4.9937 5.4177 5.4177 5.4212 5.4212 5.6727 5.6727 5.6810 5.6810 5.9795 5.9795 6.0037 6.0037 6.3703 6.3703 6.3706 6.3706 9.8675 9.8675 9.8871 9.8871 10.5204 10.5204 10.5293 10.5293 10.9480 10.9480 11.0198 11.0198 k = 0.4167 0.5048 0.4123 ( 5842 PWs) bands (ev): -10.1552 -10.1552 -10.1552 -10.1552 -9.8448 -9.8448 -9.8446 -9.8446 -9.3472 -9.3472 -9.3379 -9.3379 -9.0126 -9.0126 -8.9959 -8.9959 2.5982 2.5982 2.6003 2.6003 2.7573 2.7573 2.7580 2.7580 3.1268 3.1268 3.1282 3.1282 3.3858 3.3858 3.3949 3.3949 4.3316 4.3316 4.3363 4.3363 4.5140 4.5140 4.5336 4.5336 4.6843 4.6843 4.6980 4.6980 5.0023 5.0023 5.0061 5.0061 5.4020 5.4020 5.4050 5.4050 5.6707 5.6707 5.6817 5.6817 5.9933 5.9933 6.0159 6.0159 6.3719 6.3719 6.3723 6.3723 9.8532 9.8532 9.8727 9.8727 10.5045 10.5045 10.5140 10.5140 10.9396 10.9396 11.0102 11.0102 k = 0.4333 0.5048 0.4123 ( 5840 PWs) bands (ev): -10.1573 -10.1573 -10.1573 -10.1573 -9.8433 -9.8433 -9.8432 -9.8432 -9.3507 -9.3507 -9.3413 -9.3413 -9.0083 -9.0083 -8.9914 -8.9914 2.5937 2.5937 2.5955 2.5955 2.7533 2.7533 2.7542 2.7542 3.1333 3.1333 3.1351 3.1351 3.3859 3.3859 3.3944 3.3944 4.3582 4.3582 4.3658 4.3658 4.5124 4.5124 4.5298 4.5298 4.6650 4.6650 4.6780 4.6780 5.0163 5.0163 5.0196 5.0196 5.3850 5.3850 5.3874 5.3874 5.6706 5.6706 5.6836 5.6836 6.0051 6.0051 6.0264 6.0264 6.3737 6.3737 6.3746 6.3746 9.8411 9.8411 9.8605 9.8605 10.4910 10.4910 10.5010 10.5010 10.9328 10.9328 11.0024 11.0024 k = 0.4500 0.5048 0.4123 ( 5840 PWs) bands (ev): -10.1590 -10.1590 -10.1590 -10.1590 -9.8420 -9.8420 -9.8419 -9.8419 -9.3536 -9.3536 -9.3440 -9.3440 -9.0048 -9.0048 -8.9878 -8.9878 2.5900 2.5900 2.5917 2.5917 2.7500 2.7500 2.7511 2.7511 3.1386 3.1386 3.1408 3.1408 3.3862 3.3862 3.3944 3.3944 4.3827 4.3827 4.3945 4.3945 4.5127 4.5127 4.5259 4.5259 4.6436 4.6436 4.6568 4.6568 5.0297 5.0297 5.0327 5.0327 5.3687 5.3687 5.3705 5.3705 5.6715 5.6715 5.6861 5.6861 6.0145 6.0145 6.0348 6.0348 6.3754 6.3754 6.3768 6.3768 9.8314 9.8314 9.8508 9.8508 10.4803 10.4803 10.4907 10.4907 10.9276 10.9276 10.9962 10.9962 k = 0.4667 0.5048 0.4123 ( 5836 PWs) bands (ev): -10.1603 -10.1603 -10.1602 -10.1602 -9.8410 -9.8410 -9.8410 -9.8410 -9.3556 -9.3556 -9.3460 -9.3460 -9.0024 -9.0024 -8.9852 -8.9852 2.5873 2.5873 2.5888 2.5888 2.7475 2.7475 2.7487 2.7487 3.1425 3.1425 3.1450 3.1450 3.3866 3.3866 3.3945 3.3945 4.4029 4.4029 4.4205 4.4205 4.5161 4.5161 4.5217 4.5217 4.6222 4.6222 4.6370 4.6370 5.0409 5.0409 5.0439 5.0439 5.3551 5.3551 5.3562 5.3562 5.6727 5.6727 5.6883 5.6883 6.0214 6.0214 6.0409 6.0409 6.3769 6.3769 6.3786 6.3786 9.8244 9.8244 9.8437 9.8437 10.4725 10.4725 10.4831 10.4831 10.9240 10.9240 10.9918 10.9918 k = 0.4833 0.5048 0.4123 ( 5836 PWs) bands (ev): -10.1610 -10.1610 -10.1610 -10.1610 -9.8404 -9.8404 -9.8404 -9.8404 -9.3569 -9.3569 -9.3473 -9.3473 -9.0009 -9.0009 -8.9837 -8.9837 2.5857 2.5857 2.5871 2.5871 2.7460 2.7460 2.7473 2.7473 3.1449 3.1449 3.1475 3.1475 3.3869 3.3869 3.3946 3.3946 4.4162 4.4162 4.4404 4.4404 4.5177 4.5177 4.5217 4.5217 4.6042 4.6042 4.6221 4.6221 5.0484 5.0484 5.0515 5.0515 5.3460 5.3460 5.3466 5.3466 5.6735 5.6735 5.6898 5.6898 6.0256 6.0256 6.0446 6.0446 6.3779 6.3779 6.3798 6.3798 9.8201 9.8201 9.8394 9.8394 10.4678 10.4678 10.4785 10.4785 10.9218 10.9218 10.9892 10.9892 k = 0.5000 0.5048 0.4123 ( 5832 PWs) bands (ev): -10.1613 -10.1613 -10.1612 -10.1612 -9.8402 -9.8402 -9.8402 -9.8402 -9.3573 -9.3573 -9.3477 -9.3477 -9.0004 -9.0004 -8.9832 -8.9832 2.5852 2.5852 2.5865 2.5865 2.7455 2.7455 2.7468 2.7468 3.1457 3.1457 3.1484 3.1484 3.3870 3.3870 3.3947 3.3947 4.4208 4.4208 4.4484 4.4484 4.5157 4.5157 4.5252 4.5252 4.5965 4.5965 4.6164 4.6164 5.0511 5.0511 5.0542 5.0542 5.3428 5.3428 5.3433 5.3433 5.6739 5.6739 5.6904 5.6904 6.0270 6.0270 6.0458 6.0458 6.3783 6.3783 6.3802 6.3802 9.8187 9.8187 9.8379 9.8379 10.4662 10.4662 10.4770 10.4770 10.9211 10.9211 10.9883 10.9883 k = 0.5000 0.5048 0.4123 ( 5832 PWs) bands (ev): -10.1613 -10.1613 -10.1612 -10.1612 -9.8402 -9.8402 -9.8402 -9.8402 -9.3573 -9.3573 -9.3477 -9.3477 -9.0004 -9.0004 -8.9832 -8.9832 2.5852 2.5852 2.5865 2.5865 2.7455 2.7455 2.7468 2.7468 3.1457 3.1457 3.1484 3.1484 3.3870 3.3870 3.3947 3.3947 4.4208 4.4208 4.4484 4.4484 4.5157 4.5157 4.5252 4.5252 4.5965 4.5965 4.6164 4.6164 5.0511 5.0511 5.0542 5.0542 5.3428 5.3428 5.3433 5.3433 5.6739 5.6739 5.6904 5.6904 6.0270 6.0270 6.0458 6.0458 6.3783 6.3783 6.3802 6.3802 9.8187 9.8187 9.8379 9.8379 10.4662 10.4662 10.4770 10.4770 10.9211 10.9211 10.9883 10.9883 k = 0.5000 0.5146 0.4003 ( 5834 PWs) bands (ev): -10.1610 -10.1610 -10.1610 -10.1610 -9.8402 -9.8402 -9.8402 -9.8402 -9.3574 -9.3574 -9.3477 -9.3477 -9.0006 -9.0006 -8.9834 -8.9834 2.5851 2.5851 2.5865 2.5865 2.7456 2.7456 2.7469 2.7469 3.1457 3.1457 3.1485 3.1485 3.3861 3.3861 3.3937 3.3937 4.4192 4.4192 4.4465 4.4465 4.5138 4.5138 4.5239 4.5239 4.6015 4.6015 4.6210 4.6210 5.0495 5.0495 5.0526 5.0526 5.3431 5.3431 5.3436 5.3436 5.6753 5.6753 5.6919 5.6919 6.0260 6.0260 6.0446 6.0446 6.3775 6.3775 6.3794 6.3794 9.8201 9.8201 9.8394 9.8394 10.4669 10.4669 10.4776 10.4776 10.9211 10.9211 10.9884 10.9884 k = 0.5000 0.5244 0.3883 ( 5834 PWs) bands (ev): -10.1604 -10.1604 -10.1603 -10.1603 -9.8402 -9.8402 -9.8402 -9.8402 -9.3575 -9.3575 -9.3477 -9.3477 -9.0012 -9.0012 -8.9840 -8.9840 2.5849 2.5849 2.5863 2.5863 2.7461 2.7461 2.7474 2.7474 3.1460 3.1460 3.1487 3.1487 3.3833 3.3833 3.3909 3.3909 4.4143 4.4143 4.4408 4.4408 4.5102 4.5102 4.5218 4.5218 4.6145 4.6145 4.6330 4.6330 5.0450 5.0450 5.0480 5.0480 5.3440 5.3440 5.3444 5.3444 5.6798 5.6798 5.6966 5.6966 6.0229 6.0229 6.0411 6.0411 6.3753 6.3753 6.3771 6.3771 9.8246 9.8246 9.8437 9.8437 10.4689 10.4689 10.4795 10.4795 10.9211 10.9211 10.9886 10.9886 k = 0.5000 0.5343 0.3762 ( 5826 PWs) bands (ev): -10.1593 -10.1593 -10.1592 -10.1592 -9.8402 -9.8402 -9.8401 -9.8401 -9.3576 -9.3576 -9.3478 -9.3478 -9.0022 -9.0022 -8.9850 -8.9850 2.5845 2.5845 2.5860 2.5860 2.7469 2.7469 2.7481 2.7481 3.1463 3.1463 3.1491 3.1491 3.3788 3.3788 3.3863 3.3863 4.4060 4.4060 4.4313 4.4313 4.5081 4.5081 4.5213 4.5213 4.6319 4.6319 4.6497 4.6497 5.0378 5.0378 5.0407 5.0407 5.3453 5.3453 5.3455 5.3455 5.6873 5.6873 5.7046 5.7046 6.0177 6.0177 6.0350 6.0350 6.3717 6.3717 6.3734 6.3734 9.8320 9.8320 9.8509 9.8509 10.4722 10.4722 10.4826 10.4826 10.9212 10.9212 10.9889 10.9889 k = 0.5000 0.5441 0.3642 ( 5826 PWs) bands (ev): -10.1578 -10.1578 -10.1577 -10.1577 -9.8401 -9.8401 -9.8400 -9.8400 -9.3578 -9.3578 -9.3479 -9.3479 -9.0035 -9.0035 -8.9865 -8.9865 2.5839 2.5839 2.5856 2.5856 2.7479 2.7479 2.7490 2.7490 3.1467 3.1467 3.1496 3.1496 3.3727 3.3727 3.3802 3.3802 4.3948 4.3948 4.4188 4.4188 4.5092 4.5092 4.5237 4.5237 4.6513 4.6513 4.6685 4.6685 5.0285 5.0285 5.0313 5.0313 5.3466 5.3466 5.3466 5.3466 5.6979 5.6979 5.7158 5.7158 6.0104 6.0104 6.0265 6.0265 6.3672 6.3672 6.3686 6.3686 9.8422 9.8422 9.8609 9.8609 10.4768 10.4768 10.4869 10.4869 10.9212 10.9212 10.9892 10.9892 k = 0.5000 0.5539 0.3522 ( 5836 PWs) bands (ev): -10.1560 -10.1560 -10.1559 -10.1559 -9.8401 -9.8401 -9.8398 -9.8398 -9.3582 -9.3582 -9.3481 -9.3481 -9.0052 -9.0052 -8.9883 -8.9883 2.5832 2.5832 2.5850 2.5850 2.7492 2.7492 2.7502 2.7502 3.1472 3.1472 3.1501 3.1501 3.3653 3.3653 3.3726 3.3726 4.3817 4.3817 4.4047 4.4047 4.5134 4.5134 4.5287 4.5287 4.6711 4.6711 4.6878 4.6878 5.0178 5.0178 5.0205 5.0205 5.3473 5.3473 5.3476 5.3476 5.7118 5.7118 5.7304 5.7304 6.0008 6.0008 6.0153 6.0153 6.3619 6.3619 6.3630 6.3630 9.8551 9.8551 9.8734 9.8734 10.4826 10.4826 10.4922 10.4922 10.9213 10.9213 10.9895 10.9895 k = 0.5000 0.5638 0.3401 ( 5832 PWs) bands (ev): -10.1538 -10.1538 -10.1537 -10.1537 -9.8399 -9.8399 -9.8396 -9.8396 -9.3586 -9.3586 -9.3484 -9.3484 -9.0072 -9.0072 -8.9904 -8.9904 2.5822 2.5822 2.5842 2.5842 2.7507 2.7507 2.7516 2.7516 3.1476 3.1476 3.1505 3.1505 3.3570 3.3570 3.3640 3.3640 4.3676 4.3676 4.3898 4.3898 4.5201 4.5201 4.5358 4.5358 4.6899 4.6899 4.7063 4.7063 5.0068 5.0068 5.0093 5.0093 5.3472 5.3472 5.3480 5.3480 5.7287 5.7287 5.7482 5.7482 5.9889 5.9889 6.0015 6.0015 6.3563 6.3563 6.3570 6.3570 9.8705 9.8705 9.8885 9.8885 10.4894 10.4894 10.4986 10.4986 10.9213 10.9213 10.9898 10.9898 k = 0.5000 0.5736 0.3281 ( 5836 PWs) bands (ev): -10.1515 -10.1515 -10.1512 -10.1512 -9.8396 -9.8396 -9.8391 -9.8391 -9.3592 -9.3592 -9.3487 -9.3487 -9.0094 -9.0094 -8.9928 -8.9928 2.5809 2.5809 2.5832 2.5832 2.7523 2.7523 2.7530 2.7530 3.1478 3.1478 3.1505 3.1505 3.3481 3.3481 3.3547 3.3547 4.3532 4.3532 4.3748 4.3748 4.5287 4.5287 4.5442 4.5442 4.7066 4.7066 4.7229 4.7229 4.9965 4.9965 4.9989 4.9989 5.3463 5.3463 5.3476 5.3476 5.7486 5.7486 5.7692 5.7692 5.9749 5.9749 5.9850 5.9850 6.3507 6.3507 6.3510 6.3510 9.8883 9.8883 9.9058 9.9058 10.4973 10.4973 10.5058 10.5058 10.9214 10.9214 10.9900 10.9900 k = 0.5000 0.5736 0.3281 ( 5836 PWs) bands (ev): -10.1515 -10.1515 -10.1512 -10.1512 -9.8396 -9.8396 -9.8391 -9.8391 -9.3592 -9.3592 -9.3487 -9.3487 -9.0094 -9.0094 -8.9928 -8.9928 2.5809 2.5809 2.5832 2.5832 2.7523 2.7523 2.7530 2.7530 3.1478 3.1478 3.1505 3.1505 3.3481 3.3481 3.3547 3.3547 4.3532 4.3532 4.3748 4.3748 4.5287 4.5287 4.5442 4.5442 4.7066 4.7066 4.7229 4.7229 4.9965 4.9965 4.9989 4.9989 5.3463 5.3463 5.3476 5.3476 5.7486 5.7486 5.7692 5.7692 5.9749 5.9749 5.9850 5.9850 6.3507 6.3507 6.3510 6.3510 9.8883 9.8883 9.9058 9.9058 10.4973 10.4973 10.5058 10.5058 10.9214 10.9214 10.9900 10.9900 k = 0.5000 0.5708 0.3116 ( 5840 PWs) bands (ev): -10.1500 -10.1500 -10.1498 -10.1498 -9.8368 -9.8368 -9.8362 -9.8362 -9.3621 -9.3621 -9.3516 -9.3516 -9.0109 -9.0109 -8.9946 -8.9946 2.5799 2.5799 2.5820 2.5820 2.7581 2.7581 2.7588 2.7588 3.1441 3.1441 3.1463 3.1463 3.3366 3.3366 3.3430 3.3430 4.3619 4.3619 4.3836 4.3836 4.5186 4.5186 4.5347 4.5347 4.7137 4.7137 4.7294 4.7294 4.9982 4.9982 5.0008 5.0008 5.3507 5.3507 5.3520 5.3520 5.7610 5.7610 5.7812 5.7812 5.9573 5.9573 5.9663 5.9663 6.3489 6.3489 6.3492 6.3492 9.9071 9.9071 9.9243 9.9243 10.5019 10.5019 10.5095 10.5095 10.9225 10.9225 10.9901 10.9901 k = 0.5000 0.5681 0.2951 ( 5838 PWs) bands (ev): -10.1484 -10.1484 -10.1482 -10.1482 -9.8338 -9.8338 -9.8331 -9.8331 -9.3650 -9.3650 -9.3546 -9.3546 -9.0126 -9.0126 -8.9966 -8.9966 2.5792 2.5792 2.5812 2.5812 2.7646 2.7646 2.7652 2.7652 3.1389 3.1389 3.1405 3.1405 3.3248 3.3248 3.3308 3.3308 4.3703 4.3703 4.3921 4.3921 4.5040 4.5040 4.5203 4.5203 4.7209 4.7209 4.7365 4.7365 5.0013 5.0013 5.0044 5.0044 5.3575 5.3575 5.3587 5.3587 5.7740 5.7740 5.7937 5.7937 5.9379 5.9379 5.9453 5.9453 6.3492 6.3492 6.3496 6.3496 9.9295 9.9295 9.9462 9.9462 10.5080 10.5080 10.5143 10.5143 10.9243 10.9243 10.9905 10.9905 k = 0.5000 0.5653 0.2786 ( 5848 PWs) bands (ev): -10.1467 -10.1467 -10.1465 -10.1465 -9.8306 -9.8306 -9.8299 -9.8299 -9.3680 -9.3680 -9.3576 -9.3576 -9.0146 -9.0146 -8.9989 -8.9989 2.5787 2.5787 2.5806 2.5806 2.7716 2.7716 2.7721 2.7721 3.1322 3.1322 3.1330 3.1330 3.3136 3.3136 3.3192 3.3192 4.3782 4.3782 4.4003 4.4003 4.4865 4.4865 4.5025 4.5025 4.7259 4.7259 4.7414 4.7414 5.0071 5.0071 5.0109 5.0109 5.3660 5.3660 5.3670 5.3670 5.7867 5.7867 5.8059 5.8059 5.9173 5.9173 5.9230 5.9230 6.3521 6.3521 6.3526 6.3526 9.9551 9.9551 9.9712 9.9712 10.5153 10.5153 10.5203 10.5203 10.9271 10.9271 10.9911 10.9911 k = 0.5000 0.5626 0.2621 ( 5844 PWs) bands (ev): -10.1449 -10.1449 -10.1447 -10.1447 -9.8273 -9.8273 -9.8264 -9.8264 -9.3710 -9.3710 -9.3607 -9.3607 -9.0167 -9.0167 -9.0015 -9.0015 2.5782 2.5782 2.5799 2.5799 2.7791 2.7791 2.7795 2.7795 3.1239 3.1239 3.1240 3.1240 3.3037 3.3037 3.3087 3.3087 4.3853 4.3853 4.4078 4.4078 4.4675 4.4675 4.4828 4.4828 4.7271 4.7271 4.7424 4.7424 5.0158 5.0158 5.0208 5.0208 5.3758 5.3758 5.3765 5.3765 5.7973 5.7973 5.8161 5.8161 5.8971 5.8971 5.9008 5.9008 6.3581 6.3581 6.3587 6.3587 9.9834 9.9834 9.9989 9.9989 10.5239 10.5239 10.5272 10.5272 10.9306 10.9306 10.9919 10.9919 k = 0.5000 0.5598 0.2457 ( 5850 PWs) bands (ev): -10.1430 -10.1430 -10.1428 -10.1428 -9.8239 -9.8239 -9.8229 -9.8229 -9.3740 -9.3740 -9.3638 -9.3638 -9.0191 -9.0191 -9.0043 -9.0043 2.5776 2.5776 2.5791 2.5791 2.7869 2.7869 2.7871 2.7871 3.1134 3.1134 3.1142 3.1142 3.2958 3.2958 3.3002 3.3002 4.3906 4.3906 4.4142 4.4142 4.4486 4.4486 4.4624 4.4624 4.7240 4.7240 4.7390 4.7390 5.0271 5.0271 5.0337 5.0337 5.3866 5.3866 5.3869 5.3869 5.8026 5.8026 5.8197 5.8197 5.8804 5.8804 5.8832 5.8832 6.3675 6.3675 6.3681 6.3681 10.0138 10.0138 10.0287 10.0287 10.5335 10.5335 10.5350 10.5350 10.9350 10.9350 10.9929 10.9929 k = 0.5000 0.5571 0.2292 ( 5858 PWs) bands (ev): -10.1410 -10.1410 -10.1408 -10.1408 -9.8204 -9.8204 -9.8193 -9.8193 -9.3769 -9.3769 -9.3668 -9.3668 -9.0217 -9.0217 -9.0073 -9.0073 2.5766 2.5766 2.5779 2.5779 2.7948 2.7948 2.7948 2.7948 3.1015 3.1015 3.1032 3.1032 3.2904 3.2904 3.2943 3.2943 4.3918 4.3918 4.4173 4.4173 4.4323 4.4323 4.4436 4.4436 4.7170 4.7170 4.7315 4.7315 5.0399 5.0399 5.0485 5.0485 5.3982 5.3982 5.3984 5.3984 5.7971 5.7971 5.8094 5.8094 5.8727 5.8727 5.8777 5.8777 6.3803 6.3803 6.3810 6.3810 10.0458 10.0458 10.0601 10.0601 10.5436 10.5436 10.5442 10.5442 10.9403 10.9403 10.9941 10.9941 k = 0.5000 0.5543 0.2127 ( 5862 PWs) bands (ev): -10.1389 -10.1389 -10.1387 -10.1387 -9.8168 -9.8168 -9.8156 -9.8156 -9.3797 -9.3797 -9.3699 -9.3699 -9.0244 -9.0244 -9.0105 -9.0105 2.5751 2.5751 2.5761 2.5761 2.8024 2.8024 2.8025 2.8025 3.0889 3.0889 3.0913 3.0913 3.2878 3.2878 3.2912 3.2912 4.3846 4.3846 4.4093 4.4093 4.4231 4.4231 4.4345 4.4345 4.7072 4.7072 4.7210 4.7210 5.0527 5.0527 5.0635 5.0635 5.4104 5.4104 5.4111 5.4111 5.7800 5.7800 5.7868 5.7868 5.8755 5.8755 5.8830 5.8830 6.3965 6.3965 6.3972 6.3972 10.0788 10.0788 10.0926 10.0926 10.5529 10.5529 10.5557 10.5557 10.9464 10.9464 10.9955 10.9955 k = 0.5000 0.5516 0.1962 ( 5860 PWs) bands (ev): -10.1368 -10.1368 -10.1365 -10.1365 -9.8132 -9.8132 -9.8120 -9.8120 -9.3824 -9.3824 -9.3728 -9.3728 -9.0272 -9.0272 -9.0139 -9.0139 2.5729 2.5729 2.5738 2.5738 2.8095 2.8095 2.8098 2.8098 3.0761 3.0761 3.0792 3.0792 3.2880 3.2880 3.2911 3.2911 4.3695 4.3695 4.3910 4.3910 4.4204 4.4204 4.4343 4.4343 4.6955 4.6955 4.7085 4.7085 5.0642 5.0642 5.0773 5.0773 5.4236 5.4236 5.4249 5.4249 5.7565 5.7565 5.7591 5.7591 5.8837 5.8837 5.8926 5.8926 6.4158 6.4158 6.4165 6.4165 10.1123 10.1123 10.1254 10.1254 10.5628 10.5628 10.5680 10.5680 10.9532 10.9532 10.9970 10.9970 k = 0.5000 0.5488 0.1797 ( 5862 PWs) bands (ev): -10.1346 -10.1346 -10.1343 -10.1343 -9.8097 -9.8097 -9.8084 -9.8084 -9.3850 -9.3850 -9.3757 -9.3757 -9.0301 -9.0301 -9.0174 -9.0174 2.5701 2.5701 2.5708 2.5708 2.8159 2.8159 2.8163 2.8163 3.0641 3.0641 3.0676 3.0676 3.2909 3.2909 3.2939 3.2939 4.3514 4.3514 4.3707 4.3707 4.4190 4.4190 4.4343 4.4343 4.6832 4.6832 4.6951 4.6951 5.0731 5.0731 5.0885 5.0885 5.4380 5.4380 5.4396 5.4396 5.7298 5.7298 5.7307 5.7307 5.8942 5.8942 5.9034 5.9034 6.4378 6.4378 6.4385 6.4385 10.1455 10.1455 10.1580 10.1580 10.5733 10.5733 10.5809 10.5809 10.9608 10.9608 10.9989 10.9989 k = 0.5000 0.5461 0.1632 ( 5868 PWs) bands (ev): -10.1323 -10.1323 -10.1321 -10.1321 -9.8062 -9.8062 -9.8049 -9.8049 -9.3875 -9.3875 -9.3785 -9.3785 -9.0331 -9.0331 -9.0210 -9.0210 2.5665 2.5665 2.5670 2.5670 2.8209 2.8209 2.8213 2.8213 3.0537 3.0537 3.0574 3.0574 3.2965 3.2965 3.2995 3.2995 4.3327 4.3327 4.3506 4.3506 4.4163 4.4163 4.4324 4.4324 4.6710 4.6710 4.6817 4.6817 5.0786 5.0786 5.0962 5.0962 5.4533 5.4533 5.4551 5.4551 5.7007 5.7007 5.7047 5.7047 5.9055 5.9055 5.9146 5.9146 6.4618 6.4618 6.4626 6.4626 10.1779 10.1779 10.1898 10.1898 10.5843 10.5843 10.5944 10.5944 10.9690 10.9690 11.0010 11.0010 k = 0.5000 0.5433 0.1467 ( 5870 PWs) bands (ev): -10.1301 -10.1301 -10.1298 -10.1298 -9.8028 -9.8028 -9.8014 -9.8014 -9.3897 -9.3897 -9.3811 -9.3811 -9.0361 -9.0361 -9.0247 -9.0247 2.5622 2.5622 2.5626 2.5626 2.8241 2.8241 2.8244 2.8244 3.0456 3.0456 3.0493 3.0493 3.3045 3.3045 3.3075 3.3075 4.3143 4.3143 4.3309 4.3309 4.4114 4.4114 4.4280 4.4280 4.6598 4.6598 4.6692 4.6692 5.0803 5.0803 5.0999 5.0999 5.4691 5.4691 5.4707 5.4707 5.6731 5.6731 5.6800 5.6800 5.9171 5.9171 5.9260 5.9260 6.4874 6.4874 6.4882 6.4882 10.2089 10.2089 10.2203 10.2203 10.5957 10.5957 10.6083 10.6083 10.9778 10.9778 11.0035 11.0035 k = 0.5000 0.5406 0.1302 ( 5870 PWs) bands (ev): -10.1278 -10.1278 -10.1276 -10.1276 -9.7996 -9.7996 -9.7982 -9.7982 -9.3918 -9.3918 -9.3836 -9.3836 -9.0392 -9.0392 -9.0284 -9.0284 2.5573 2.5573 2.5576 2.5576 2.8251 2.8251 2.8252 2.8252 3.0406 3.0406 3.0441 3.0441 3.3146 3.3146 3.3178 3.3178 4.2964 4.2964 4.3118 4.3118 4.4039 4.4039 4.4208 4.4208 4.6502 4.6502 4.6581 4.6581 5.0781 5.0781 5.0993 5.0993 5.4844 5.4844 5.4854 5.4854 5.6484 5.6484 5.6580 5.6580 5.9289 5.9289 5.9373 5.9373 6.5139 6.5139 6.5148 6.5148 10.2382 10.2382 10.2490 10.2490 10.6074 10.6074 10.6224 10.6224 10.9871 10.9871 11.0066 11.0066 k = 0.5000 0.5378 0.1137 ( 5868 PWs) bands (ev): -10.1256 -10.1256 -10.1254 -10.1254 -9.7965 -9.7965 -9.7950 -9.7950 -9.3938 -9.3938 -9.3860 -9.3860 -9.0421 -9.0421 -9.0320 -9.0320 2.5519 2.5519 2.5522 2.5522 2.8236 2.8236 2.8236 2.8236 3.0389 3.0389 3.0421 3.0421 3.3266 3.3266 3.3299 3.3299 4.2790 4.2790 4.2933 4.2933 4.3941 4.3941 4.4110 4.4110 4.6424 4.6424 4.6490 4.6490 5.0720 5.0720 5.0943 5.0943 5.4977 5.4977 5.4980 5.4980 5.6282 5.6282 5.6402 5.6402 5.9408 5.9408 5.9487 5.9487 6.5407 6.5407 6.5416 6.5416 10.2652 10.2652 10.2754 10.2754 10.6194 10.6194 10.6365 10.6365 10.9967 10.9967 11.0102 11.0102 k = 0.5000 0.5351 0.0972 ( 5868 PWs) bands (ev): -10.1234 -10.1234 -10.1232 -10.1232 -9.7935 -9.7935 -9.7921 -9.7921 -9.3955 -9.3955 -9.3882 -9.3882 -9.0450 -9.0450 -9.0357 -9.0357 2.5461 2.5461 2.5463 2.5463 2.8196 2.8196 2.8199 2.8199 3.0404 3.0404 3.0433 3.0433 3.3401 3.3401 3.3436 3.3436 4.2622 4.2622 4.2753 4.2753 4.3821 4.3821 4.3989 4.3989 4.6367 4.6367 4.6420 4.6420 5.0624 5.0624 5.0851 5.0851 5.5065 5.5065 5.5069 5.5069 5.6148 5.6148 5.6283 5.6283 5.9527 5.9527 5.9599 5.9599 6.5673 6.5673 6.5683 6.5683 10.2898 10.2898 10.2994 10.2994 10.6314 10.6314 10.6502 10.6502 11.0066 11.0066 11.0145 11.0145 k = 0.5000 0.5323 0.0807 ( 5874 PWs) bands (ev): -10.1213 -10.1213 -10.1211 -10.1211 -9.7908 -9.7908 -9.7894 -9.7894 -9.3970 -9.3970 -9.3902 -9.3902 -9.0478 -9.0478 -9.0392 -9.0392 2.5402 2.5402 2.5403 2.5403 2.8137 2.8137 2.8143 2.8143 3.0446 3.0446 3.0471 3.0471 3.3550 3.3550 3.3586 3.3586 4.2459 4.2459 4.2577 4.2577 4.3688 4.3688 4.3852 4.3852 4.6331 4.6331 4.6373 4.6373 5.0494 5.0494 5.0721 5.0721 5.5098 5.5098 5.5098 5.5098 5.6101 5.6101 5.6235 5.6235 5.9644 5.9644 5.9709 5.9709 6.5933 6.5933 6.5942 6.5942 10.3117 10.3117 10.3207 10.3207 10.6434 10.6434 10.6634 10.6634 11.0165 11.0165 11.0194 11.0194 k = 0.5000 0.5296 0.0642 ( 5878 PWs) bands (ev): -10.1193 -10.1193 -10.1192 -10.1192 -9.7882 -9.7882 -9.7869 -9.7869 -9.3983 -9.3983 -9.3921 -9.3921 -9.0505 -9.0505 -9.0427 -9.0427 2.5341 2.5341 2.5342 2.5342 2.8066 2.8066 2.8073 2.8073 3.0508 3.0508 3.0530 3.0530 3.3708 3.3708 3.3745 3.3745 4.2297 4.2297 4.2404 4.2404 4.3548 4.3548 4.3705 4.3705 4.6316 4.6316 4.6349 4.6349 5.0337 5.0337 5.0558 5.0558 5.5070 5.5070 5.5081 5.5081 5.6133 5.6133 5.6253 5.6253 5.9759 5.9759 5.9817 5.9817 6.6180 6.6180 6.6189 6.6189 10.3310 10.3310 10.3392 10.3392 10.6550 10.6550 10.6756 10.6756 11.0250 11.0250 11.0262 11.0262 k = 0.5000 0.5268 0.0477 ( 5882 PWs) bands (ev): -10.1175 -10.1175 -10.1173 -10.1173 -9.7859 -9.7859 -9.7847 -9.7847 -9.3993 -9.3993 -9.3938 -9.3938 -9.0529 -9.0529 -9.0459 -9.0459 2.5282 2.5282 2.5282 2.5282 2.7988 2.7988 2.7997 2.7997 3.0584 3.0584 3.0603 3.0603 3.3871 3.3871 3.3908 3.3908 4.2138 4.2138 4.2232 4.2232 4.3411 4.3411 4.3557 4.3557 4.6321 4.6321 4.6345 4.6345 5.0159 5.0159 5.0368 5.0368 5.5011 5.5011 5.5034 5.5034 5.6214 5.6214 5.6315 5.6315 5.9870 5.9870 5.9920 5.9920 6.6412 6.6412 6.6420 6.6420 10.3477 10.3477 10.3551 10.3551 10.6661 10.6661 10.6865 10.6865 11.0312 11.0312 11.0355 11.0355 k = 0.5000 0.5241 0.0312 ( 5876 PWs) bands (ev): -10.1158 -10.1158 -10.1156 -10.1156 -9.7838 -9.7838 -9.7827 -9.7827 -9.4002 -9.4002 -9.3953 -9.3953 -9.0551 -9.0551 -9.0489 -9.0489 2.5225 2.5225 2.5226 2.5226 2.7910 2.7910 2.7919 2.7919 3.0666 3.0666 3.0682 3.0682 3.4036 3.4036 3.4071 3.4071 4.1979 4.1979 4.2063 4.2063 4.3282 4.3282 4.3415 4.3415 4.6343 4.6343 4.6361 4.6361 4.9965 4.9965 5.0158 5.0158 5.4948 5.4948 5.4978 5.4978 5.6313 5.6313 5.6396 5.6396 5.9975 5.9975 6.0017 6.0017 6.6624 6.6624 6.6632 6.6632 10.3619 10.3619 10.3685 10.3685 10.6766 10.6766 10.6961 10.6961 11.0378 11.0378 11.0443 11.0443 k = 0.5000 0.5213 0.0148 ( 5878 PWs) bands (ev): -10.1142 -10.1142 -10.1141 -10.1141 -9.7820 -9.7820 -9.7810 -9.7810 -9.4009 -9.4009 -9.3966 -9.3966 -9.0571 -9.0571 -9.0517 -9.0517 2.5173 2.5173 2.5174 2.5174 2.7836 2.7836 2.7845 2.7845 3.0749 3.0749 3.0762 3.0762 3.4197 3.4197 3.4231 3.4231 4.1824 4.1824 4.1896 4.1896 4.3167 4.3167 4.3285 4.3285 4.6382 4.6382 4.6393 4.6393 4.9765 4.9765 4.9937 4.9937 5.4891 5.4891 5.4924 5.4924 5.6413 5.6413 5.6480 5.6480 6.0071 6.0071 6.0106 6.0106 6.6814 6.6814 6.6822 6.6822 10.3738 10.3738 10.3794 10.3794 10.6861 10.6861 10.7041 10.7041 11.0446 11.0446 11.0522 11.0522 k = 0.5000 0.5186-0.0017 ( 5876 PWs) bands (ev): -10.1129 -10.1129 -10.1128 -10.1128 -9.7804 -9.7804 -9.7796 -9.7796 -9.4014 -9.4014 -9.3978 -9.3978 -9.0587 -9.0587 -9.0542 -9.0542 2.5127 2.5127 2.5127 2.5127 2.7768 2.7768 2.7776 2.7776 3.0826 3.0826 3.0838 3.0838 3.4349 3.4349 3.4380 3.4380 4.1676 4.1676 4.1737 4.1737 4.3072 4.3072 4.3172 4.3172 4.6433 4.6433 4.6439 4.6439 4.9567 4.9567 4.9716 4.9716 5.4847 5.4847 5.4878 5.4878 5.6505 5.6505 5.6558 5.6558 6.0157 6.0157 6.0185 6.0185 6.6980 6.6980 6.6986 6.6986 10.3835 10.3835 10.3883 10.3883 10.6946 10.6946 10.7105 10.7105 11.0513 11.0513 11.0591 11.0591 k = 0.5000 0.5158-0.0182 ( 5882 PWs) bands (ev): -10.1118 -10.1118 -10.1117 -10.1117 -9.7791 -9.7791 -9.7784 -9.7784 -9.4017 -9.4017 -9.3988 -9.3988 -9.0600 -9.0600 -9.0564 -9.0564 2.5087 2.5087 2.5087 2.5087 2.7710 2.7710 2.7717 2.7717 3.0895 3.0895 3.0904 3.0904 3.4487 3.4487 3.4513 3.4513 4.1541 4.1541 4.1591 4.1591 4.2996 4.2996 4.3077 4.3077 4.6491 4.6491 4.6493 4.6493 4.9382 4.9382 4.9506 4.9506 5.4815 5.4815 5.4841 5.4841 5.6584 5.6584 5.6624 5.6624 6.0231 6.0231 6.0253 6.0253 6.7118 6.7118 6.7123 6.7123 10.3914 10.3914 10.3951 10.3951 10.7019 10.7019 10.7152 10.7152 11.0575 11.0575 11.0647 11.0647 k = 0.5000 0.5131-0.0347 ( 5876 PWs) bands (ev): -10.1109 -10.1109 -10.1108 -10.1108 -9.7781 -9.7781 -9.7776 -9.7776 -9.4019 -9.4019 -9.3996 -9.3996 -9.0609 -9.0609 -9.0582 -9.0582 2.5055 2.5055 2.5055 2.5055 2.7664 2.7664 2.7669 2.7669 3.0952 3.0952 3.0959 3.0959 3.4603 3.4603 3.4624 3.4624 4.1427 4.1427 4.1465 4.1465 4.2940 4.2940 4.3002 4.3002 4.6551 4.6551 4.6551 4.6551 4.9221 4.9221 4.9317 4.9317 5.4793 5.4793 5.4814 5.4814 5.6648 5.6648 5.6677 5.6677 6.0291 6.0291 6.0307 6.0307 6.7228 6.7228 6.7232 6.7232 10.3974 10.3974 10.4002 10.4002 10.7081 10.7081 10.7184 10.7184 11.0631 11.0631 11.0690 11.0690 k = 0.5000 0.5103-0.0512 ( 5878 PWs) bands (ev): -10.1102 -10.1102 -10.1102 -10.1102 -9.7773 -9.7773 -9.7770 -9.7770 -9.4018 -9.4018 -9.4004 -9.4004 -9.0615 -9.0615 -9.0597 -9.0597 2.5032 2.5032 2.5032 2.5032 2.7630 2.7630 2.7634 2.7634 3.0995 3.0995 3.1000 3.1000 3.4693 3.4693 3.4708 3.4708 4.1341 4.1341 4.1367 4.1367 4.2904 4.2904 4.2945 4.2945 4.6602 4.6602 4.6604 4.6604 4.9098 4.9098 4.9164 4.9164 5.4780 5.4780 5.4794 5.4794 5.6695 5.6695 5.6714 5.6714 6.0336 6.0336 6.0347 6.0347 6.7307 6.7307 6.7310 6.7310 10.4017 10.4017 10.4036 10.4036 10.7131 10.7131 10.7201 10.7201 11.0676 11.0676 11.0718 11.0718 k = 0.5000 0.5075-0.0677 ( 5876 PWs) bands (ev): -10.1098 -10.1098 -10.1098 -10.1098 -9.7768 -9.7768 -9.7766 -9.7766 -9.4017 -9.4017 -9.4010 -9.4010 -9.0616 -9.0616 -9.0607 -9.0607 2.5018 2.5018 2.5018 2.5018 2.7610 2.7610 2.7612 2.7612 3.1022 3.1022 3.1024 3.1024 3.4751 3.4751 3.4759 3.4759 4.1289 4.1289 4.1302 4.1302 4.2887 4.2887 4.2907 4.2907 4.6639 4.6639 4.6641 4.6641 4.9025 4.9025 4.9059 4.9059 5.4774 5.4774 5.4782 5.4782 5.6725 5.6725 5.6734 5.6734 6.0364 6.0364 6.0370 6.0370 6.7356 6.7356 6.7357 6.7357 10.4044 10.4044 10.4054 10.4054 10.7168 10.7168 10.7203 10.7203 11.0709 11.0709 11.0731 11.0731 k = 0.5000 0.5048-0.0842 ( 5880 PWs) bands (ev): -10.1097 -10.1097 -10.1097 -10.1097 -9.7766 -9.7766 -9.7766 -9.7766 -9.4014 -9.4014 -9.4014 -9.4014 -9.0614 -9.0614 -9.0614 -9.0614 2.5013 2.5013 2.5013 2.5013 2.7604 2.7604 2.7604 2.7604 3.1032 3.1032 3.1032 3.1032 3.4773 3.4773 3.4773 3.4773 4.1276 4.1276 4.1276 4.1276 4.2888 4.2888 4.2888 4.2888 4.6653 4.6653 4.6653 4.6653 4.9011 4.9011 4.9011 4.9011 5.4775 5.4775 5.4775 5.4775 5.6738 5.6738 5.6738 5.6738 6.0376 6.0376 6.0376 6.0376 6.7372 6.7372 6.7372 6.7372 10.4057 10.4057 10.4057 10.4057 10.7192 10.7192 10.7192 10.7192 11.0727 11.0727 11.0727 11.0727 k = 0.5000 0.5048-0.0842 ( 5880 PWs) bands (ev): -10.1097 -10.1097 -10.1097 -10.1097 -9.7766 -9.7766 -9.7766 -9.7766 -9.4014 -9.4014 -9.4014 -9.4014 -9.0614 -9.0614 -9.0614 -9.0614 2.5013 2.5013 2.5013 2.5013 2.7604 2.7604 2.7604 2.7604 3.1032 3.1032 3.1032 3.1032 3.4773 3.4773 3.4773 3.4773 4.1276 4.1276 4.1276 4.1276 4.2888 4.2888 4.2888 4.2888 4.6653 4.6653 4.6653 4.6653 4.9011 4.9011 4.9011 4.9011 5.4775 5.4775 5.4775 5.4775 5.6738 5.6738 5.6738 5.6738 6.0376 6.0376 6.0376 6.0376 6.7372 6.7372 6.7372 6.7372 10.4057 10.4057 10.4057 10.4057 10.7192 10.7192 10.7192 10.7192 11.0727 11.0727 11.0727 11.0727 k = 0.4833 0.5048-0.0842 ( 5880 PWs) bands (ev): -10.1155 -10.1155 -10.1051 -10.1051 -9.7833 -9.7833 -9.7688 -9.7688 -9.4109 -9.4109 -9.3917 -9.3917 -9.0685 -9.0685 -9.0541 -9.0541 2.4976 2.4976 2.5036 2.5036 2.7594 2.7594 2.7637 2.7637 3.0943 3.0943 3.1103 3.1103 3.4572 3.4572 3.4977 3.4977 4.0646 4.0646 4.1879 4.1879 4.2758 4.2758 4.2937 4.2937 4.6492 4.6492 4.6784 4.6784 4.8773 4.8773 4.9370 4.9370 5.4337 5.4337 5.5265 5.5265 5.6385 5.6385 5.7088 5.7088 6.0289 6.0289 6.0462 6.0462 6.7320 6.7320 6.7422 6.7422 10.3951 10.3951 10.4166 10.4166 10.7190 10.7190 10.7215 10.7215 11.0568 11.0568 11.0874 11.0874 k = 0.4667 0.5048-0.0842 ( 5880 PWs) bands (ev): -10.1222 -10.1222 -10.1018 -10.1018 -9.7886 -9.7886 -9.7604 -9.7604 -9.4200 -9.4200 -9.3820 -9.3820 -9.0753 -9.0753 -9.0467 -9.0467 2.4927 2.4927 2.5044 2.5044 2.7609 2.7609 2.7695 2.7695 3.0836 3.0836 3.1154 3.1154 3.4371 3.4371 3.5182 3.5182 4.0011 4.0011 4.2390 4.2390 4.2557 4.2557 4.2950 4.2950 4.6288 4.6288 4.6911 4.6911 4.8666 4.8666 4.9821 4.9821 5.3966 5.3966 5.5791 5.5791 5.6032 5.6032 5.7427 5.7427 6.0202 6.0202 6.0552 6.0552 6.7265 6.7265 6.7471 6.7471 10.3853 10.3853 10.4277 10.4277 10.7207 10.7207 10.7258 10.7258 11.0400 11.0400 11.1007 11.1007 k = 0.4500 0.5048-0.0842 ( 5880 PWs) bands (ev): -10.1298 -10.1298 -10.1001 -10.1001 -9.7923 -9.7923 -9.7516 -9.7516 -9.4285 -9.4285 -9.3726 -9.3726 -9.0819 -9.0819 -9.0393 -9.0393 2.4866 2.4866 2.5038 2.5038 2.7645 2.7645 2.7774 2.7774 3.0714 3.0714 3.1186 3.1186 3.4169 3.4169 3.5389 3.5389 3.9383 3.9383 4.2242 4.2242 4.2618 4.2618 4.3150 4.3150 4.6062 4.6062 4.7049 4.7049 4.8667 4.8667 5.0332 5.0332 5.3678 5.3678 5.5685 5.5685 5.6342 5.6342 5.7750 5.7750 6.0117 6.0117 6.0654 6.0654 6.7206 6.7206 6.7518 6.7518 10.3765 10.3765 10.4388 10.4388 10.7243 10.7243 10.7320 10.7320 11.0225 11.0225 11.1124 11.1124 k = 0.4333 0.5048-0.0842 ( 5878 PWs) bands (ev): -10.1379 -10.1379 -10.1001 -10.1001 -9.7941 -9.7941 -9.7430 -9.7430 -9.4361 -9.4361 -9.3635 -9.3635 -9.0879 -9.0879 -9.0319 -9.0319 2.4798 2.4798 2.5020 2.5020 2.7702 2.7702 2.7873 2.7873 3.0577 3.0577 3.1196 3.1196 3.3965 3.3965 3.5595 3.5595 3.8772 3.8772 4.1896 4.1896 4.2507 4.2507 4.3497 4.3497 4.5870 4.5870 4.7204 4.7204 4.8739 4.8739 5.0879 5.0879 5.3490 5.3490 5.5347 5.5347 5.6902 5.6902 5.8045 5.8045 6.0041 6.0041 6.0778 6.0778 6.7144 6.7144 6.7565 6.7565 10.3689 10.3689 10.4495 10.4495 10.7295 10.7295 10.7400 10.7400 11.0047 11.0047 11.1222 11.1222 k = 0.4167 0.5048-0.0842 ( 5878 PWs) bands (ev): -10.1463 -10.1463 -10.1018 -10.1018 -9.7939 -9.7939 -9.7348 -9.7348 -9.4425 -9.4425 -9.3551 -9.3551 -9.0934 -9.0934 -9.0245 -9.0245 2.4724 2.4724 2.4991 2.4991 2.7776 2.7776 2.7987 2.7987 3.0428 3.0428 3.1185 3.1185 3.3758 3.3758 3.5794 3.5794 3.8192 3.8192 4.1506 4.1506 4.2317 4.2317 4.3710 4.3710 4.5772 4.5772 4.7372 4.7372 4.8856 4.8856 5.1440 5.1440 5.3412 5.3412 5.5026 5.5026 5.7447 5.7447 5.8302 5.8302 5.9991 5.9991 6.0937 6.0937 6.7078 6.7078 6.7613 6.7613 10.3628 10.3628 10.4598 10.4598 10.7361 10.7361 10.7494 10.7494 10.9870 10.9870 11.1303 11.1303 k = 0.4000 0.5048-0.0842 ( 5870 PWs) bands (ev): -10.1551 -10.1551 -10.1052 -10.1052 -9.7918 -9.7918 -9.7274 -9.7274 -9.4475 -9.4475 -9.3475 -9.3475 -9.0983 -9.0983 -9.0173 -9.0173 2.4646 2.4646 2.4954 2.4954 2.7863 2.7863 2.8114 2.8114 3.0270 3.0270 3.1152 3.1152 3.3546 3.3546 3.5966 3.5966 3.7668 3.7668 4.1093 4.1093 4.2092 4.2092 4.3724 4.3724 4.5782 4.5782 4.7546 4.7546 4.9020 4.9020 5.1994 5.1994 5.3443 5.3443 5.4734 5.4734 5.7939 5.7939 5.8510 5.8510 6.0004 6.0004 6.1142 6.1142 6.7007 6.7007 6.7663 6.7663 10.3583 10.3583 10.4696 10.4696 10.7439 10.7439 10.7598 10.7598 10.9698 10.9698 11.1363 11.1363 k = 0.3833 0.5048-0.0842 ( 5868 PWs) bands (ev): -10.1640 -10.1640 -10.1101 -10.1101 -9.7877 -9.7877 -9.7213 -9.7213 -9.4509 -9.4509 -9.3409 -9.3409 -9.1023 -9.1023 -9.0102 -9.0102 2.4568 2.4568 2.4910 2.4910 2.7960 2.7960 2.8248 2.8248 3.0105 3.0105 3.1097 3.1097 3.3328 3.3328 3.6050 3.6050 3.7266 3.7266 4.0668 4.0668 4.1847 4.1847 4.3584 4.3584 4.5830 4.5830 4.7720 4.7720 4.9248 4.9248 5.2503 5.2503 5.3573 5.3573 5.4500 5.4500 5.8313 5.8313 5.8666 5.8666 6.0144 6.0144 6.1401 6.1401 6.6933 6.6933 6.7714 6.7714 10.3554 10.3554 10.4788 10.4788 10.7526 10.7526 10.7706 10.7706 10.9537 10.9537 11.1404 11.1404 k = 0.3667 0.5048-0.0842 ( 5868 PWs) bands (ev): -10.1729 -10.1729 -10.1164 -10.1164 -9.7819 -9.7819 -9.7166 -9.7166 -9.4523 -9.4523 -9.3354 -9.3354 -9.1055 -9.1055 -9.0033 -9.0033 2.4490 2.4490 2.4860 2.4860 2.8063 2.8063 2.8386 2.8386 2.9938 2.9938 3.1020 3.1020 3.3102 3.3102 3.5921 3.5921 3.7115 3.7115 4.0244 4.0244 4.1592 4.1592 4.3364 4.3364 4.5831 4.5831 4.7884 4.7884 4.9553 4.9553 5.2888 5.2888 5.3784 5.3784 5.4390 5.4390 5.8515 5.8515 5.8773 5.8773 6.0465 6.0465 6.1716 6.1716 6.6856 6.6856 6.7768 6.7768 10.3544 10.3544 10.4873 10.4873 10.7620 10.7620 10.7812 10.7812 10.9392 10.9392 11.1426 11.1426 k = 0.3500 0.5048-0.0842 ( 5876 PWs) bands (ev): -10.1817 -10.1817 -10.1237 -10.1237 -9.7746 -9.7746 -9.7135 -9.7135 -9.4518 -9.4518 -9.3313 -9.3313 -9.1076 -9.1076 -8.9966 -8.9966 2.4414 2.4414 2.4808 2.4808 2.8165 2.8165 2.8523 2.8523 2.9775 2.9775 3.0921 3.0921 3.2869 3.2869 3.5587 3.5587 3.7211 3.7211 3.9829 3.9829 4.1331 4.1331 4.3115 4.3115 4.5755 4.5755 4.8032 4.8032 4.9929 4.9929 5.3038 5.3038 5.4063 5.4063 5.4495 5.4495 5.8585 5.8585 5.8837 5.8837 6.0944 6.0944 6.2081 6.2081 6.6776 6.6776 6.7824 6.7824 10.3551 10.3551 10.4952 10.4952 10.7718 10.7718 10.7906 10.7906 10.9272 10.9272 11.1428 11.1428 k = 0.3333 0.5048-0.0842 ( 5870 PWs) bands (ev): -10.1904 -10.1904 -10.1320 -10.1320 -9.7661 -9.7661 -9.7121 -9.7121 -9.4493 -9.4493 -9.3285 -9.3285 -9.1087 -9.1087 -8.9901 -8.9901 2.4341 2.4341 2.4753 2.4753 2.8258 2.8258 2.8652 2.8652 2.9626 2.9626 3.0801 3.0801 3.2629 3.2629 3.5186 3.5186 3.7419 3.7419 3.9431 3.9431 4.1070 4.1070 4.2860 4.2860 4.5607 4.5607 4.8157 4.8157 5.0350 5.0350 5.2972 5.2972 5.4390 5.4390 5.4775 5.4775 5.8607 5.8607 5.8869 5.8869 6.1515 6.1515 6.2485 6.2485 6.6693 6.6693 6.7884 6.7884 10.3575 10.3575 10.5023 10.5023 10.7815 10.7815 10.7981 10.7981 10.9185 10.9185 11.1412 11.1412 k = 0.3167 0.5048-0.0842 ( 5862 PWs) bands (ev): -10.1989 -10.1989 -10.1409 -10.1409 -9.7565 -9.7565 -9.7122 -9.7122 -9.4449 -9.4449 -9.3272 -9.3272 -9.1087 -9.1087 -8.9839 -8.9839 2.4272 2.4272 2.4697 2.4697 2.8328 2.8328 2.8766 2.8766 2.9505 2.9505 3.0665 3.0665 3.2381 3.2381 3.4786 3.4786 3.7673 3.7673 3.9057 3.9057 4.0809 4.0809 4.2614 4.2614 4.5409 4.5409 4.8253 4.8253 5.0790 5.0790 5.2816 5.2816 5.4745 5.4745 5.5082 5.5082 5.8646 5.8646 5.8891 5.8891 6.2129 6.2129 6.2920 6.2920 6.6610 6.6610 6.7946 6.7946 10.3616 10.3616 10.5087 10.5087 10.7902 10.7902 10.8034 10.8034 10.9142 10.9142 11.1378 11.1378 k = 0.3000 0.5048-0.0842 ( 5870 PWs) bands (ev): -10.2072 -10.2072 -10.1502 -10.1502 -9.7462 -9.7462 -9.7135 -9.7135 -9.4389 -9.4389 -9.3274 -9.3274 -9.1077 -9.1077 -8.9780 -8.9780 2.4208 2.4208 2.4640 2.4640 2.8357 2.8357 2.8857 2.8857 2.9433 2.9433 3.0516 3.0516 3.2126 3.2126 3.4415 3.4415 3.7941 3.7941 3.8721 3.8721 4.0551 4.0551 4.2382 4.2382 4.5180 4.5180 4.8314 4.8314 5.1223 5.1223 5.2643 5.2643 5.5108 5.5108 5.5313 5.5313 5.8730 5.8730 5.8947 5.8947 6.2763 6.2763 6.3376 6.3376 6.6525 6.6525 6.8011 6.8011 10.3672 10.3672 10.5143 10.5143 10.7950 10.7950 10.8089 10.8089 10.9146 10.9146 11.1327 11.1327 k = 0.2833 0.5048-0.0842 ( 5862 PWs) bands (ev): -10.2152 -10.2152 -10.1598 -10.1598 -9.7363 -9.7363 -9.7151 -9.7151 -9.4314 -9.4314 -9.3290 -9.3290 -9.1058 -9.1058 -8.9724 -8.9724 2.4149 2.4149 2.4584 2.4584 2.8329 2.8329 2.8916 2.8916 2.9423 2.9423 3.0360 3.0360 3.1865 3.1865 3.4085 3.4085 3.8133 3.8133 3.8506 3.8506 4.0296 4.0296 4.2168 4.2168 4.4937 4.4937 4.8337 4.8337 5.1631 5.1631 5.2481 5.2481 5.5388 5.5388 5.5501 5.5501 5.8816 5.8816 5.9126 5.9126 6.3401 6.3401 6.3848 6.3848 6.6441 6.6441 6.8079 6.8079 10.3742 10.3742 10.5191 10.5191 10.7940 10.7940 10.8168 10.8168 10.9191 10.9191 11.1261 11.1261 k = 0.2667 0.5048-0.0842 ( 5854 PWs) bands (ev): -10.2228 -10.2228 -10.1695 -10.1695 -9.7302 -9.7302 -9.7133 -9.7133 -9.4229 -9.4229 -9.3319 -9.3319 -9.1030 -9.1030 -8.9672 -8.9672 2.4094 2.4094 2.4529 2.4529 2.8249 2.8249 2.8935 2.8935 2.9471 2.9471 3.0205 3.0205 3.1602 3.1602 3.3805 3.3805 3.7986 3.7986 3.8673 3.8673 4.0045 4.0045 4.1974 4.1974 4.4692 4.4692 4.8320 4.8320 5.2002 5.2002 5.2342 5.2342 5.5378 5.5378 5.5828 5.5828 5.8898 5.8898 5.9452 5.9452 6.4029 6.4029 6.4333 6.4333 6.6358 6.6358 6.8150 6.8150 10.3823 10.3823 10.5231 10.5231 10.7895 10.7895 10.8255 10.8255 10.9267 10.9267 11.1181 11.1181 k = 0.2500 0.5048-0.0842 ( 5852 PWs) bands (ev): -10.2301 -10.2301 -10.1791 -10.1791 -9.7314 -9.7314 -9.7045 -9.7045 -9.4137 -9.4137 -9.3359 -9.3359 -9.0995 -9.0995 -8.9622 -8.9622 2.4045 2.4045 2.4475 2.4475 2.8133 2.8133 2.8906 2.8906 2.9557 2.9557 3.0054 3.0054 3.1338 3.1338 3.3582 3.3582 3.7736 3.7736 3.8982 3.8982 3.9799 3.9799 4.1800 4.1800 4.4452 4.4452 4.8265 4.8265 5.2217 5.2217 5.2340 5.2340 5.5251 5.5251 5.6126 5.6126 5.9022 5.9022 5.9871 5.9871 6.4624 6.4624 6.4839 6.4839 6.6277 6.6277 6.8224 6.8224 10.3916 10.3916 10.5263 10.5263 10.7834 10.7834 10.8339 10.8339 10.9366 10.9366 11.1088 11.1088 k = 0.2333 0.5048-0.0842 ( 5854 PWs) bands (ev): -10.2369 -10.2369 -10.1885 -10.1885 -9.7358 -9.7358 -9.6927 -9.6927 -9.4040 -9.4040 -9.3408 -9.3408 -9.0956 -9.0956 -8.9576 -8.9576 2.4000 2.4000 2.4423 2.4423 2.8002 2.8002 2.8828 2.8828 2.9662 2.9662 2.9908 2.9908 3.1078 3.1078 3.3420 3.3420 3.7495 3.7495 3.9317 3.9317 3.9558 3.9558 4.1645 4.1645 4.4223 4.4223 4.8174 4.8174 5.2125 5.2125 5.2617 5.2617 5.5052 5.5052 5.6361 5.6361 5.9216 5.9216 6.0342 6.0342 6.5153 6.5153 6.5388 6.5388 6.6199 6.6199 6.8302 6.8302 10.4017 10.4017 10.5289 10.5289 10.7765 10.7765 10.8416 10.8416 10.9481 10.9481 11.0983 11.0983 k = 0.2167 0.5048-0.0842 ( 5854 PWs) bands (ev): -10.2434 -10.2434 -10.1976 -10.1976 -9.7413 -9.7413 -9.6798 -9.6798 -9.3942 -9.3942 -9.3465 -9.3465 -9.0914 -9.0914 -8.9534 -8.9534 2.3959 2.3959 2.4374 2.4374 2.7869 2.7869 2.8708 2.8708 2.9744 2.9744 2.9784 2.9784 3.0832 3.0832 3.3322 3.3322 3.7274 3.7274 3.9316 3.9316 3.9669 3.9669 4.1509 4.1509 4.4010 4.4010 4.8057 4.8057 5.2040 5.2040 5.2852 5.2852 5.4810 5.4810 5.6525 5.6525 5.9489 5.9489 6.0838 6.0838 6.5614 6.5614 6.5965 6.5965 6.6131 6.6131 6.8385 6.8385 10.4125 10.4125 10.5309 10.5309 10.7695 10.7695 10.8483 10.8483 10.9608 10.9608 11.0870 11.0870 k = 0.2000 0.5048-0.0842 ( 5850 PWs) bands (ev): -10.2495 -10.2495 -10.2063 -10.2063 -9.7471 -9.7471 -9.6667 -9.6667 -9.3849 -9.3849 -9.3525 -9.3525 -9.0870 -9.0870 -8.9495 -8.9495 2.3922 2.3922 2.4327 2.4327 2.7741 2.7741 2.8559 2.8559 2.9601 2.9601 2.9852 2.9852 3.0622 3.0622 3.3284 3.3284 3.7073 3.7073 3.9086 3.9086 4.0023 4.0023 4.1391 4.1391 4.3814 4.3814 4.7922 4.7922 5.1953 5.1953 5.3043 5.3043 5.4549 5.4549 5.6625 5.6625 5.9829 5.9829 6.1337 6.1337 6.5958 6.5958 6.6142 6.6142 6.6537 6.6537 6.8475 6.8475 10.4238 10.4238 10.5325 10.5325 10.7623 10.7623 10.8536 10.8536 10.9745 10.9745 11.0751 11.0751 k = 0.1833 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2551 -10.2551 -10.2146 -10.2146 -9.7530 -9.7530 -9.6533 -9.6533 -9.3773 -9.3773 -9.3576 -9.3576 -9.0825 -9.0825 -8.9460 -8.9460 2.3889 2.3889 2.4282 2.4282 2.7624 2.7624 2.8395 2.8395 2.9434 2.9434 2.9850 2.9850 3.0498 3.0498 3.3301 3.3301 3.6890 3.6890 3.8862 3.8862 4.0380 4.0380 4.1290 4.1290 4.3637 4.3637 4.7778 4.7778 5.1851 5.1851 5.3193 5.3193 5.4289 5.4289 5.6675 5.6675 6.0218 6.0218 6.1828 6.1828 6.5952 6.5952 6.6471 6.6471 6.7087 6.7087 6.8573 6.8573 10.4355 10.4355 10.5338 10.5338 10.7552 10.7552 10.8574 10.8574 10.9891 10.9891 11.0629 11.0629 k = 0.1667 0.5048-0.0842 ( 5842 PWs) bands (ev): -10.2602 -10.2602 -10.2223 -10.2223 -9.7588 -9.7588 -9.6400 -9.6400 -9.3760 -9.3760 -9.3573 -9.3573 -9.0781 -9.0781 -8.9428 -8.9428 2.3858 2.3858 2.4241 2.4241 2.7523 2.7523 2.8227 2.8227 2.9256 2.9256 2.9727 2.9727 3.0500 3.0500 3.3362 3.3362 3.6724 3.6724 3.8647 3.8647 4.0731 4.0731 4.1206 4.1206 4.3479 4.3479 4.7635 4.7635 5.1716 5.1716 5.3306 5.3306 5.4050 5.4050 5.6693 5.6693 6.0631 6.0631 6.2300 6.2300 6.5893 6.5893 6.6814 6.6814 6.7609 6.7609 6.8685 6.8685 10.4475 10.4475 10.5350 10.5350 10.7481 10.7481 10.8594 10.8594 11.0041 11.0041 11.0512 11.0512 k = 0.1500 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2649 -10.2649 -10.2294 -10.2294 -9.7643 -9.7643 -9.6268 -9.6268 -9.3815 -9.3815 -9.3510 -9.3510 -9.0739 -9.0739 -8.9399 -8.9399 2.3831 2.3831 2.4203 2.4203 2.7439 2.7439 2.8063 2.8063 2.9071 2.9071 2.9528 2.9528 3.0581 3.0581 3.3457 3.3457 3.6571 3.6571 3.8443 3.8443 4.1027 4.1027 4.1184 4.1184 4.3342 4.3342 4.7504 4.7504 5.1535 5.1535 5.3384 5.3384 5.3850 5.3850 5.6693 5.6693 6.1050 6.1050 6.2747 6.2747 6.5833 6.5833 6.7113 6.7113 6.8097 6.8097 6.8812 6.8812 10.4597 10.4597 10.5362 10.5362 10.7412 10.7412 10.8594 10.8594 11.0174 11.0174 11.0423 11.0423 k = 0.1333 0.5048-0.0842 ( 5848 PWs) bands (ev): -10.2691 -10.2691 -10.2359 -10.2359 -9.7695 -9.7695 -9.6138 -9.6138 -9.3893 -9.3893 -9.3434 -9.3434 -9.0699 -9.0699 -8.9375 -8.9375 2.3805 2.3805 2.4169 2.4169 2.7377 2.7377 2.7910 2.7910 2.8887 2.8887 2.9304 2.9304 3.0688 3.0688 3.3577 3.3577 3.6429 3.6429 3.8252 3.8252 4.1034 4.1034 4.1449 4.1449 4.3223 4.3223 4.7394 4.7394 5.1300 5.1300 5.3432 5.3432 5.3700 5.3700 5.6684 5.6684 6.1459 6.1459 6.3162 6.3162 6.5776 6.5776 6.7359 6.7359 6.8547 6.8547 6.8957 6.8957 10.4718 10.4718 10.5376 10.5376 10.7344 10.7344 10.8573 10.8573 11.0191 11.0191 11.0464 11.0464 k = 0.1167 0.5048-0.0842 ( 5854 PWs) bands (ev): -10.2728 -10.2728 -10.2417 -10.2417 -9.7743 -9.7743 -9.6011 -9.6011 -9.3977 -9.3977 -9.3360 -9.3360 -9.0663 -9.0663 -8.9353 -8.9353 2.3782 2.3782 2.4138 2.4138 2.7335 2.7335 2.7771 2.7771 2.8708 2.8708 2.9077 2.9077 3.0801 3.0801 3.3713 3.3713 3.6297 3.6297 3.8076 3.8076 4.0985 4.0985 4.1762 4.1762 4.3123 4.3123 4.7315 4.7315 5.1014 5.1014 5.3443 5.3443 5.3608 5.3608 5.6671 5.6671 6.1847 6.1847 6.3540 6.3540 6.5723 6.5723 6.7551 6.7551 6.8950 6.8950 6.9121 6.9121 10.4837 10.4837 10.5390 10.5390 10.7278 10.7278 10.8531 10.8531 11.0112 11.0112 11.0616 11.0616 k = 0.1000 0.5048-0.0842 ( 5848 PWs) bands (ev): -10.2760 -10.2760 -10.2468 -10.2468 -9.7785 -9.7785 -9.5889 -9.5889 -9.4064 -9.4064 -9.3293 -9.3293 -9.0630 -9.0630 -8.9334 -8.9334 2.3761 2.3761 2.4110 2.4110 2.7316 2.7316 2.7650 2.7650 2.8540 2.8540 2.8856 2.8856 3.0909 3.0909 3.3857 3.3857 3.6173 3.6173 3.7917 3.7917 4.0940 4.0940 4.2052 4.2052 4.3040 4.3040 4.7276 4.7276 5.0688 5.0688 5.3420 5.3420 5.3573 5.3573 5.6659 5.6659 6.2203 6.2203 6.3879 6.3879 6.5673 6.5673 6.7694 6.7694 6.9253 6.9253 6.9345 6.9345 10.4953 10.4953 10.5406 10.5406 10.7217 10.7217 10.8471 10.8471 11.0026 11.0026 11.0789 11.0789 k = 0.0833 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2788 -10.2788 -10.2512 -10.2512 -9.7822 -9.7822 -9.5774 -9.5774 -9.4149 -9.4149 -9.3234 -9.3234 -9.0602 -9.0602 -8.9319 -8.9319 2.3743 2.3743 2.4087 2.4087 2.7319 2.7319 2.7548 2.7548 2.8388 2.8388 2.8645 2.8645 3.1007 3.1007 3.4003 3.4003 3.6057 3.6057 3.7777 3.7777 4.0902 4.0902 4.2308 4.2308 4.2974 4.2974 4.7285 4.7285 5.0336 5.0336 5.3387 5.3387 5.3565 5.3565 5.6647 5.6647 6.2519 6.2519 6.4176 6.4176 6.5627 6.5627 6.7796 6.7796 6.9427 6.9427 6.9645 6.9645 10.5062 10.5062 10.5424 10.5424 10.7160 10.7160 10.8399 10.8399 10.9951 10.9951 11.0963 11.0963 k = 0.0667 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2810 -10.2810 -10.2548 -10.2548 -9.7852 -9.7852 -9.5668 -9.5668 -9.4231 -9.4231 -9.3185 -9.3185 -9.0578 -9.0578 -8.9307 -8.9307 2.3727 2.3727 2.4068 2.4068 2.7340 2.7340 2.7470 2.7470 2.8254 2.8254 2.8450 2.8450 3.1092 3.1092 3.4143 3.4143 3.5949 3.5949 3.7659 3.7659 4.0871 4.0871 4.2521 4.2521 4.2925 4.2925 4.7345 4.7345 4.9974 4.9974 5.3360 5.3360 5.3562 5.3562 5.6638 5.6638 6.2788 6.2788 6.4427 6.4427 6.5584 6.5584 6.7866 6.7866 6.9574 6.9574 6.9904 6.9904 10.5159 10.5159 10.5442 10.5442 10.7110 10.7110 10.8320 10.8320 10.9889 10.9889 11.1127 11.1127 k = 0.0500 0.5048-0.0842 ( 5854 PWs) bands (ev): -10.2827 -10.2827 -10.2576 -10.2576 -9.7877 -9.7877 -9.5576 -9.5576 -9.4306 -9.4306 -9.3145 -9.3145 -9.0560 -9.0560 -8.9297 -8.9297 2.3714 2.3714 2.4053 2.4053 2.7360 2.7360 2.7431 2.7431 2.8141 2.8141 2.8276 2.8276 3.1160 3.1160 3.4269 3.4269 3.5854 3.5854 3.7565 3.7565 4.0846 4.0846 4.2683 4.2683 4.2894 4.2894 4.7454 4.7454 4.9618 4.9618 5.3341 5.3341 5.3560 5.3560 5.6631 5.6631 6.3004 6.3004 6.4630 6.4630 6.5544 6.5544 6.7913 6.7913 6.9696 6.9696 7.0110 7.0110 10.5241 10.5241 10.5462 10.5462 10.7069 10.7069 10.8244 10.8244 10.9841 10.9841 11.1271 11.1271 k = 0.0333 0.5048-0.0842 ( 5850 PWs) bands (ev): -10.2840 -10.2840 -10.2597 -10.2597 -9.7894 -9.7894 -9.5502 -9.5502 -9.4367 -9.4367 -9.3117 -9.3117 -9.0546 -9.0546 -8.9291 -8.9291 2.3704 2.3704 2.4042 2.4042 2.7339 2.7339 2.7468 2.7468 2.8040 2.8040 2.8139 2.8139 3.1211 3.1211 3.4371 3.4371 3.5775 3.5775 3.7496 3.7496 4.0829 4.0829 4.2775 4.2775 4.2896 4.2896 4.7598 4.7598 4.9293 4.9293 5.3328 5.3328 5.3558 5.3558 5.6627 5.6627 6.3162 6.3162 6.4784 6.4784 6.5509 6.5509 6.7942 6.7942 6.9786 6.9786 7.0259 7.0259 10.5301 10.5301 10.5480 10.5480 10.7038 10.7038 10.8181 10.8181 10.9808 10.9808 11.1384 11.1384 k = 0.0167 0.5048-0.0842 ( 5846 PWs) bands (ev): -10.2847 -10.2847 -10.2609 -10.2609 -9.7905 -9.7905 -9.5453 -9.5453 -9.4407 -9.4407 -9.3100 -9.3100 -9.0538 -9.0538 -8.9287 -8.9287 2.3698 2.3698 2.4035 2.4035 2.7317 2.7317 2.7527 2.7527 2.7946 2.7946 2.8063 2.8063 3.1242 3.1242 3.4440 3.4440 3.5722 3.5722 3.7455 3.7455 4.0819 4.0819 4.2796 4.2796 4.2931 4.2931 4.7741 4.7741 4.9040 4.9040 5.3321 5.3321 5.3557 5.3557 5.6624 5.6624 6.3259 6.3259 6.4881 6.4881 6.5484 6.5484 6.7958 6.7958 6.9842 6.9842 7.0349 7.0349 10.5336 10.5336 10.5495 10.5495 10.7018 10.7018 10.8138 10.8138 10.9788 10.9788 11.1455 11.1455 k = 0.0000 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2850 -10.2850 -10.2613 -10.2613 -9.7908 -9.7908 -9.5436 -9.5436 -9.4422 -9.4422 -9.3094 -9.3094 -9.0535 -9.0535 -8.9285 -8.9285 2.3696 2.3696 2.4033 2.4033 2.7309 2.7309 2.7558 2.7558 2.7900 2.7900 2.8041 2.8041 3.1253 3.1253 3.4465 3.4465 3.5703 3.5703 3.7441 3.7441 4.0816 4.0816 4.2797 4.2797 4.2948 4.2948 4.7808 4.7808 4.8936 4.8936 5.3318 5.3318 5.3556 5.3556 5.6623 5.6623 6.3291 6.3291 6.4915 6.4915 6.5474 6.5474 6.7963 6.7963 6.9861 6.9861 7.0379 7.0379 10.5348 10.5348 10.5501 10.5501 10.7012 10.7012 10.8124 10.8124 10.9782 10.9782 11.1479 11.1479 k = 0.0000 0.5048-0.0842 ( 5844 PWs) bands (ev): -10.2850 -10.2850 -10.2613 -10.2613 -9.7908 -9.7908 -9.5436 -9.5436 -9.4422 -9.4422 -9.3094 -9.3094 -9.0535 -9.0535 -8.9285 -8.9285 2.3696 2.3696 2.4033 2.4033 2.7309 2.7309 2.7558 2.7558 2.7900 2.7900 2.8041 2.8041 3.1253 3.1253 3.4465 3.4465 3.5703 3.5703 3.7441 3.7441 4.0816 4.0816 4.2797 4.2797 4.2948 4.2948 4.7808 4.7808 4.8936 4.8936 5.3318 5.3318 5.3556 5.3556 5.6623 5.6623 6.3291 6.3291 6.4915 6.4915 6.5474 6.5474 6.7963 6.7963 6.9861 6.9861 7.0379 7.0379 10.5348 10.5348 10.5501 10.5501 10.7012 10.7012 10.8124 10.8124 10.9782 10.9782 11.1479 11.1479 k = 0.0000 0.5075-0.0677 ( 5850 PWs) bands (ev): -10.2846 -10.2846 -10.2607 -10.2607 -9.7914 -9.7914 -9.5437 -9.5437 -9.4422 -9.4422 -9.3091 -9.3091 -9.0539 -9.0539 -8.9291 -8.9291 2.3711 2.3711 2.4048 2.4048 2.7304 2.7304 2.7563 2.7563 2.7899 2.7899 2.8045 2.8045 3.1257 3.1257 3.4477 3.4477 3.5714 3.5714 3.7447 3.7447 4.0822 4.0822 4.2789 4.2789 4.2951 4.2951 4.7806 4.7806 4.8926 4.8926 5.3323 5.3323 5.3558 5.3558 5.6606 5.6606 6.3281 6.3281 6.4908 6.4908 6.5435 6.5435 6.7965 6.7965 6.9825 6.9825 7.0363 7.0363 10.5321 10.5321 10.5482 10.5482 10.7026 10.7026 10.8147 10.8147 10.9794 10.9794 11.1504 11.1504 k = 0.0000 0.5103-0.0512 ( 5854 PWs) bands (ev): -10.2836 -10.2836 -10.2590 -10.2590 -9.7931 -9.7931 -9.5440 -9.5440 -9.4421 -9.4421 -9.3081 -9.3081 -9.0550 -9.0550 -8.9307 -8.9307 2.3756 2.3756 2.4090 2.4090 2.7289 2.7289 2.7579 2.7579 2.7896 2.7896 2.8058 2.8058 3.1271 3.1271 3.4514 3.4514 3.5748 3.5748 3.7468 3.7468 4.0840 4.0840 4.2761 4.2761 4.2966 4.2966 4.7802 4.7802 4.8894 4.8894 5.3334 5.3334 5.3565 5.3565 5.6557 5.6557 6.3249 6.3249 6.4888 6.4888 6.5320 6.5320 6.7970 6.7970 6.9721 6.9721 7.0313 7.0313 10.5245 10.5245 10.5427 10.5427 10.7063 10.7063 10.8214 10.8214 10.9833 10.9833 11.1579 11.1579 k = 0.0000 0.5131-0.0347 ( 5856 PWs) bands (ev): -10.2818 -10.2818 -10.2562 -10.2562 -9.7961 -9.7961 -9.5445 -9.5445 -9.4420 -9.4420 -9.3064 -9.3064 -9.0568 -9.0568 -8.9333 -8.9333 2.3829 2.3829 2.4161 2.4161 2.7264 2.7264 2.7606 2.7606 2.7890 2.7890 2.8083 2.8083 3.1294 3.1294 3.4576 3.4576 3.5804 3.5804 3.7501 3.7501 4.0868 4.0868 4.2710 4.2710 4.2997 4.2997 4.7796 4.7796 4.8841 4.8841 5.3348 5.3348 5.3578 5.3578 5.6475 5.6475 6.3196 6.3196 6.4855 6.4855 6.5133 6.5133 6.7979 6.7979 6.9552 6.9552 7.0226 7.0226 10.5132 10.5132 10.5343 10.5343 10.7110 10.7110 10.8318 10.8318 10.9899 10.9899 11.1701 11.1701 k = 0.0000 0.5158-0.0182 ( 5857 PWs) bands (ev): -10.2793 -10.2793 -10.2523 -10.2523 -9.8001 -9.8001 -9.5453 -9.5453 -9.4419 -9.4419 -9.3040 -9.3040 -9.0593 -9.0593 -8.9370 -8.9370 2.3929 2.3929 2.4259 2.4259 2.7229 2.7229 2.7644 2.7644 2.7879 2.7879 2.8120 2.8120 3.1329 3.1329 3.4662 3.4662 3.5879 3.5879 3.7545 3.7545 4.0906 4.0906 4.2639 4.2639 4.3047 4.3047 4.7790 4.7790 4.8765 4.8765 5.3362 5.3362 5.3598 5.3598 5.6364 5.6364 6.3119 6.3119 6.4805 6.4805 6.4883 6.4883 6.7991 6.7991 6.9323 6.9323 7.0099 7.0099 10.4995 10.4995 10.5238 10.5238 10.7155 10.7155 10.8452 10.8452 10.9996 10.9996 11.1869 11.1869 k = 0.0000 0.5186-0.0017 ( 5859 PWs) bands (ev): -10.2761 -10.2761 -10.2473 -10.2473 -9.8054 -9.8054 -9.5463 -9.5463 -9.4417 -9.4417 -9.3010 -9.3010 -9.0626 -9.0626 -8.9417 -8.9417 2.4054 2.4054 2.4383 2.4383 2.7186 2.7186 2.7695 2.7695 2.7864 2.7864 2.8173 2.8173 3.1375 3.1375 3.4770 3.4770 3.5973 3.5973 3.7597 3.7597 4.0950 4.0950 4.2553 4.2553 4.3117 4.3117 4.7784 4.7784 4.8668 4.8668 5.3370 5.3370 5.3623 5.3623 5.6226 5.6226 6.3015 6.3015 6.4561 6.4561 6.4756 6.4756 6.8006 6.8006 6.9038 6.9038 6.9931 6.9931 10.4845 10.4845 10.5119 10.5119 10.7190 10.7190 10.8606 10.8606 11.0124 11.0124 11.2079 11.2080 k = 0.0000 0.5213 0.0148 ( 5856 PWs) bands (ev): -10.2722 -10.2722 -10.2412 -10.2412 -9.8117 -9.8117 -9.5475 -9.5475 -9.4414 -9.4414 -9.2973 -9.2973 -9.0665 -9.0665 -8.9474 -8.9474 2.4201 2.4201 2.4531 2.4531 2.7135 2.7135 2.7758 2.7758 2.7846 2.7846 2.8241 2.8241 3.1435 3.1435 3.4900 3.4900 3.6081 3.6081 3.7654 3.7654 4.0997 4.0997 4.2459 4.2459 4.3207 4.3207 4.7782 4.7782 4.8547 4.8547 5.3373 5.3373 5.3644 5.3644 5.6071 5.6071 6.2873 6.2873 6.4209 6.4209 6.4684 6.4684 6.8023 6.8023 6.8700 6.8700 6.9724 6.9724 10.4692 10.4692 10.4992 10.4992 10.7213 10.7213 10.8771 10.8771 11.0281 11.0281 11.2327 11.2327 k = 0.0000 0.5241 0.0312 ( 5857 PWs) bands (ev): -10.2676 -10.2676 -10.2340 -10.2340 -9.8192 -9.8192 -9.5489 -9.5489 -9.4411 -9.4411 -9.2929 -9.2929 -9.0711 -9.0711 -8.9540 -8.9540 2.4366 2.4366 2.4702 2.4702 2.7077 2.7077 2.7819 2.7819 2.7842 2.7842 2.8328 2.8328 3.1509 3.1509 3.5050 3.5050 3.6200 3.6200 3.7713 3.7713 4.1044 4.1044 4.2364 4.2364 4.3319 4.3319 4.7786 4.7786 4.8405 4.8405 5.3370 5.3370 5.3645 5.3645 5.5911 5.5911 6.2673 6.2673 6.3841 6.3841 6.4601 6.4601 6.8038 6.8038 6.8315 6.8315 6.9480 6.9480 10.4541 10.4541 10.4861 10.4861 10.7225 10.7225 10.8939 10.8939 11.0463 11.0463 11.2609 11.2611 k = 0.0000 0.5268 0.0477 ( 5859 PWs) bands (ev): -10.2623 -10.2623 -10.2258 -10.2258 -9.8278 -9.8278 -9.5506 -9.5506 -9.4408 -9.4408 -9.2879 -9.2879 -9.0764 -9.0764 -8.9614 -8.9614 2.4542 2.4542 2.4893 2.4893 2.7014 2.7014 2.7801 2.7801 2.7931 2.7931 2.8437 2.8437 3.1600 3.1600 3.5221 3.5221 3.6324 3.6324 3.7770 3.7770 4.1088 4.1088 4.2275 4.2275 4.3454 4.3454 4.7799 4.7799 4.8241 4.8241 5.3362 5.3362 5.3605 5.3605 5.5766 5.5766 6.2379 6.2379 6.3501 6.3501 6.4506 6.4506 6.7865 6.7865 6.8070 6.8070 6.9203 6.9203 10.4396 10.4396 10.4729 10.4729 10.7231 10.7231 10.9102 10.9102 11.0667 11.0667 11.2920 11.2924 k = 0.0000 0.5296 0.0642 ( 5855 PWs) bands (ev): -10.2563 -10.2563 -10.2166 -10.2166 -9.8374 -9.8374 -9.5526 -9.5526 -9.4404 -9.4404 -9.2822 -9.2822 -9.0824 -9.0824 -8.9696 -8.9696 2.4723 2.4723 2.5102 2.5102 2.6946 2.6946 2.7779 2.7779 2.8041 2.8041 2.8572 2.8572 3.1709 3.1709 3.5411 3.5411 3.6448 3.6448 3.7823 3.7823 4.1126 4.1126 4.2202 4.2202 4.3613 4.3613 4.7825 4.7825 4.8056 4.8056 5.3342 5.3342 5.3506 5.3506 5.5659 5.5659 6.1964 6.1964 6.3222 6.3222 6.4399 6.4399 6.7390 6.7390 6.8082 6.8082 6.8900 6.8900 10.4260 10.4260 10.4598 10.4598 10.7234 10.7234 10.9253 10.9253 11.0888 11.0888 11.3239 11.3248 k = 0.0000 0.5323 0.0807 ( 5847 PWs) bands (ev): -10.2496 -10.2496 -10.2065 -10.2065 -9.8481 -9.8481 -9.5547 -9.5547 -9.4399 -9.4399 -9.2758 -9.2758 -9.0890 -9.0890 -8.9786 -8.9786 2.4901 2.4901 2.5326 2.5326 2.6874 2.6874 2.7756 2.7756 2.8170 2.8170 2.8737 2.8737 3.1837 3.1837 3.5619 3.5619 3.6562 3.6562 3.7872 3.7872 4.1153 4.1153 4.2152 4.2152 4.3796 4.3796 4.7835 4.7835 4.7883 4.7883 5.3232 5.3232 5.3406 5.3406 5.5606 5.5606 6.1439 6.1439 6.2998 6.2998 6.4281 6.4281 6.6868 6.6868 6.8095 6.8095 6.8578 6.8578 10.4132 10.4132 10.4470 10.4470 10.7240 10.7240 10.9384 10.9384 11.1121 11.1121 11.3552 11.3558 k = 0.0000 0.5351 0.0972 ( 5849 PWs) bands (ev): -10.2423 -10.2423 -10.1953 -10.1953 -9.8599 -9.8599 -9.5572 -9.5572 -9.4394 -9.4394 -9.2689 -9.2689 -9.0962 -9.0962 -8.9882 -8.9882 2.5070 2.5070 2.5560 2.5560 2.6799 2.6799 2.7735 2.7735 2.8321 2.8321 2.8938 2.8938 3.1985 3.1985 3.5845 3.5845 3.6654 3.6654 3.7919 3.7919 4.1167 4.1167 4.2132 4.2132 4.4003 4.4003 4.7622 4.7622 4.7934 4.7934 5.2953 5.2953 5.3384 5.3384 5.5609 5.5609 6.0837 6.0837 6.2802 6.2802 6.4151 6.4151 6.6305 6.6305 6.8089 6.8089 6.8262 6.8262 10.4014 10.4014 10.4345 10.4345 10.7253 10.7253 10.9489 10.9489 11.1362 11.1362 11.3761 11.3839 k = 0.0000 0.5378 0.1137 ( 5851 PWs) bands (ev): -10.2344 -10.2344 -10.1832 -10.1832 -9.8726 -9.8726 -9.5600 -9.5600 -9.4388 -9.4388 -9.2613 -9.2613 -9.1041 -9.1041 -8.9984 -8.9984 2.5223 2.5223 2.5798 2.5798 2.6722 2.6722 2.7717 2.7717 2.8496 2.8496 2.9181 2.9181 3.2153 3.2153 3.6088 3.6088 3.6709 3.6709 3.7972 3.7972 4.1168 4.1168 4.2145 4.2145 4.4232 4.4232 4.7380 4.7380 4.8021 4.8021 5.2573 5.2573 5.3382 5.3382 5.5653 5.5653 6.0186 6.0186 6.2612 6.2612 6.4009 6.4009 6.5707 6.5707 6.7869 6.7869 6.8152 6.8152 10.3906 10.3906 10.4224 10.4224 10.7276 10.7276 10.9564 10.9564 11.1607 11.1607 11.3765 11.3803 k = 0.0000 0.5406 0.1302 ( 5844 PWs) bands (ev): -10.2260 -10.2260 -10.1703 -10.1703 -9.8863 -9.8863 -9.5630 -9.5630 -9.4381 -9.4381 -9.2531 -9.2531 -9.1125 -9.1125 -9.0090 -9.0090 2.5355 2.5355 2.6033 2.6033 2.6643 2.6643 2.7701 2.7701 2.8699 2.8699 2.9470 2.9470 3.2342 3.2342 3.6349 3.6349 3.6713 3.6713 3.8041 3.8041 4.1152 4.1152 4.2193 4.2193 4.4483 4.4483 4.7122 4.7122 4.8137 4.8137 5.2122 5.2122 5.3390 5.3390 5.5715 5.5715 5.9512 5.9512 6.2412 6.2412 6.3854 6.3854 6.5078 6.5078 6.7540 6.7540 6.8152 6.8152 10.3805 10.3805 10.4106 10.4106 10.7311 10.7311 10.9607 10.9607 11.1855 11.1855 11.3692 11.3695 k = 0.0000 0.5433 0.1467 ( 5846 PWs) bands (ev): -10.2169 -10.2169 -10.1564 -10.1564 -9.9009 -9.9009 -9.5663 -9.5663 -9.4373 -9.4373 -9.2442 -9.2442 -9.1215 -9.1215 -9.0201 -9.0201 2.5465 2.5465 2.6257 2.6257 2.6563 2.6563 2.7688 2.7688 2.8931 2.8931 2.9805 2.9805 3.2553 3.2553 3.6625 3.6625 3.6662 3.6662 3.8130 3.8130 4.1120 4.1120 4.2276 4.2276 4.4753 4.4753 4.6850 4.6850 4.8283 4.8283 5.1617 5.1617 5.3406 5.3406 5.5763 5.5763 5.8844 5.8844 6.2192 6.2192 6.3685 6.3685 6.4426 6.4426 6.7218 6.7218 6.8156 6.8156 10.3711 10.3711 10.3992 10.3992 10.7360 10.7360 10.9619 10.9619 11.2101 11.2101 11.3642 11.3645 k = 0.0000 0.5461 0.1632 ( 5844 PWs) bands (ev): -10.2073 -10.2073 -10.1418 -10.1418 -9.9164 -9.9164 -9.5700 -9.5700 -9.4365 -9.4365 -9.2348 -9.2348 -9.1311 -9.1311 -9.0314 -9.0314 2.5550 2.5550 2.6445 2.6445 2.6502 2.6502 2.7679 2.7679 2.9197 2.9197 3.0187 3.0187 3.2785 3.2785 3.6550 3.6550 3.6923 3.6923 3.8237 3.8237 4.1072 4.1072 4.2388 4.2388 4.5040 4.5040 4.6565 4.6565 4.8464 4.8464 5.1070 5.1070 5.3432 5.3432 5.5746 5.5746 5.8232 5.8232 6.1942 6.1942 6.3482 6.3482 6.3777 6.3777 6.6916 6.6916 6.8157 6.8157 10.3624 10.3624 10.3882 10.3882 10.7424 10.7424 10.9603 10.9603 11.2344 11.2344 11.3593 11.3594 k = 0.0000 0.5488 0.1797 ( 5849 PWs) bands (ev): -10.1972 -10.1972 -10.1263 -10.1263 -9.9327 -9.9327 -9.5741 -9.5741 -9.4355 -9.4355 -9.2248 -9.2248 -9.1412 -9.1412 -9.0429 -9.0429 2.5613 2.5613 2.6391 2.6391 2.6660 2.6660 2.7675 2.7675 2.9495 2.9495 3.0612 3.0612 3.3040 3.3040 3.6391 3.6391 3.7236 3.7236 3.8354 3.8354 4.1009 4.1009 4.2525 4.2525 4.5341 4.5341 4.6271 4.6271 4.8678 4.8678 5.0496 5.0496 5.3469 5.3469 5.5580 5.5580 5.7760 5.7760 6.1652 6.1652 6.3009 6.3009 6.3377 6.3377 6.6642 6.6642 6.8154 6.8154 10.3541 10.3541 10.3774 10.3774 10.7502 10.7502 10.9564 10.9564 11.2581 11.2581 11.3544 11.3545 k = 0.0000 0.5516 0.1962 ( 5854 PWs) bands (ev): -10.1867 -10.1867 -10.1102 -10.1102 -9.9498 -9.9498 -9.5784 -9.5784 -9.4345 -9.4345 -9.2143 -9.2143 -9.1516 -9.1516 -9.0546 -9.0546 2.5654 2.5654 2.6308 2.6308 2.6825 2.6825 2.7675 2.7675 2.9824 2.9824 3.1078 3.1078 3.3316 3.3316 3.6194 3.6194 3.7568 3.7568 3.8473 3.8473 4.0933 4.0933 4.2676 4.2676 4.5648 4.5648 4.5976 4.5976 4.8926 4.8926 4.9905 4.9905 5.3520 5.3520 5.5184 5.5184 5.7509 5.7509 6.1306 6.1306 6.2348 6.2348 6.3164 6.3164 6.6401 6.6401 6.8146 6.8146 10.3463 10.3463 10.3669 10.3669 10.7594 10.7594 10.9508 10.9508 11.2811 11.2811 11.3498 11.3498 k = 0.0000 0.5543 0.2127 ( 5854 PWs) bands (ev): -10.1757 -10.1757 -10.0933 -10.0933 -9.9677 -9.9677 -9.5832 -9.5832 -9.4333 -9.4333 -9.2034 -9.2034 -9.1624 -9.1624 -9.0663 -9.0663 2.5675 2.5675 2.6222 2.6222 2.6970 2.6970 2.7680 2.7680 3.0180 3.0180 3.1577 3.1577 3.3616 3.3616 3.5967 3.5967 3.7917 3.7917 3.8585 3.8585 4.0847 4.0847 4.2832 4.2832 4.5638 4.5638 4.6005 4.6005 4.9156 4.9156 4.9356 4.9356 5.3585 5.3585 5.4585 5.4585 5.7455 5.7455 6.0880 6.0880 6.1710 6.1710 6.2955 6.2955 6.6197 6.6197 6.8134 6.8134 10.3389 10.3389 10.3567 10.3567 10.7698 10.7698 10.9441 10.9441 11.3031 11.3031 11.3457 11.3457 k = 0.0000 0.5571 0.2292 ( 5854 PWs) bands (ev): -10.1643 -10.1643 -10.0757 -10.0757 -9.9862 -9.9862 -9.5884 -9.5884 -9.4321 -9.4321 -9.1925 -9.1925 -9.1730 -9.1730 -9.0780 -9.0780 2.5679 2.5679 2.6134 2.6134 2.7095 2.7095 2.7688 2.7688 3.0556 3.0556 3.2103 3.2103 3.3939 3.3939 3.5718 3.5718 3.8278 3.8278 3.8683 3.8683 4.0756 4.0756 4.2981 4.2981 4.5333 4.5333 4.6340 4.6340 4.8682 4.8682 4.9547 4.9547 5.3670 5.3670 5.3869 5.3869 5.7510 5.7510 6.0348 6.0348 6.1144 6.1144 6.2741 6.2741 6.6029 6.6029 6.8116 6.8116 10.3317 10.3317 10.3468 10.3468 10.7813 10.7813 10.9367 10.9367 11.3237 11.3237 11.3425 11.3425 k = 0.0000 0.5598 0.2457 ( 5863 PWs) bands (ev): -10.1525 -10.1525 -10.0576 -10.0576 -10.0053 -10.0053 -9.5941 -9.5941 -9.4307 -9.4307 -9.1890 -9.1890 -9.1759 -9.1759 -9.0896 -9.0896 2.5667 2.5667 2.6044 2.6044 2.7203 2.7203 2.7701 2.7701 3.0946 3.0946 3.2648 3.2648 3.4289 3.4289 3.5453 3.5453 3.8614 3.8614 3.8795 3.8795 4.0670 4.0670 4.3107 4.3107 4.5024 4.5024 4.6694 4.6694 4.8103 4.8103 4.9884 4.9884 5.3100 5.3100 5.3775 5.3775 5.7612 5.7612 5.9729 5.9729 6.0650 6.0650 6.2520 6.2520 6.5896 6.5896 6.8094 6.8094 10.3247 10.3247 10.3372 10.3372 10.7937 10.7937 10.9290 10.9290 11.3369 11.3370 11.3461 11.3461 k = 0.0000 0.5626 0.2621 ( 5868 PWs) bands (ev): -10.1404 -10.1404 -10.0389 -10.0389 -10.0250 -10.0250 -9.6002 -9.6002 -9.4292 -9.4292 -9.1991 -9.1991 -9.1650 -9.1650 -9.1011 -9.1011 2.5641 2.5641 2.5951 2.5951 2.7296 2.7296 2.7717 2.7717 3.1344 3.1344 3.3199 3.3199 3.4668 3.4668 3.5179 3.5179 3.8733 3.8733 3.9092 3.9092 4.0604 4.0604 4.3190 4.3190 4.4723 4.4723 4.7063 4.7063 4.7553 4.7553 5.0244 5.0244 5.2312 5.2312 5.3907 5.3907 5.7711 5.7711 5.9091 5.9091 6.0190 6.0190 6.2292 6.2292 6.5796 6.5796 6.8067 6.8067 10.3177 10.3177 10.3282 10.3282 10.8068 10.8068 10.9212 10.9212 11.3362 11.3362 11.3633 11.3633 k = 0.0000 0.5653 0.2786 ( 5876 PWs) bands (ev): -10.1280 -10.1280 -10.0453 -10.0453 -10.0197 -10.0197 -9.6068 -9.6068 -9.4275 -9.4275 -9.2108 -9.2108 -9.1521 -9.1521 -9.1123 -9.1123 2.5602 2.5602 2.5856 2.5856 2.7376 2.7376 2.7736 2.7736 3.1742 3.1742 3.3742 3.3742 3.4887 3.4887 3.5095 3.5095 3.8728 3.8728 3.9441 3.9441 4.0598 4.0598 4.3203 4.3203 4.4441 4.4441 4.7048 4.7048 4.7449 4.7449 5.0617 5.0617 5.1526 5.1526 5.4068 5.4068 5.7694 5.7694 5.8568 5.8568 5.9742 5.9742 6.2058 6.2058 6.5725 6.5725 6.8036 6.8036 10.3106 10.3106 10.3199 10.3199 10.8204 10.8204 10.9135 10.9135 11.3351 11.3351 11.3800 11.3800 k = 0.0000 0.5681 0.2951 ( 5878 PWs) bands (ev): -10.1153 -10.1153 -10.0659 -10.0659 -10.0002 -10.0002 -9.6139 -9.6139 -9.4257 -9.4257 -9.2227 -9.2227 -9.1388 -9.1388 -9.1231 -9.1231 2.5553 2.5553 2.5757 2.5757 2.7446 2.7446 2.7756 2.7756 3.2136 3.2136 3.4258 3.4258 3.4608 3.4608 3.5553 3.5553 3.8659 3.8659 3.9701 3.9701 4.0730 4.0730 4.3125 4.3125 4.4179 4.4179 4.6615 4.6615 4.7848 4.7848 5.0742 5.0742 5.1011 5.1011 5.4264 5.4264 5.7328 5.7328 5.8408 5.8408 5.9299 5.9299 6.1820 6.1820 6.5680 6.5680 6.8002 6.8002 10.3032 10.3032 10.3125 10.3125 10.8343 10.8343 10.9058 10.9058 11.3348 11.3348 11.3954 11.3954 k = 0.0000 0.5708 0.3116 ( 5877 PWs) bands (ev): -10.1025 -10.1025 -10.0869 -10.0869 -9.9802 -9.9802 -9.6215 -9.6215 -9.4237 -9.4237 -9.2347 -9.2347 -9.1354 -9.1354 -9.1233 -9.1233 2.5495 2.5495 2.5655 2.5655 2.7507 2.7507 2.7776 2.7776 3.2519 3.2519 3.4317 3.4317 3.4741 3.4741 3.6064 3.6064 3.8525 3.8525 3.9818 3.9818 4.1059 4.1059 4.2948 4.2948 4.3923 4.3923 4.6265 4.6265 4.8262 4.8262 5.0015 5.0015 5.1376 5.1376 5.4501 5.4501 5.6745 5.6745 5.8470 5.8470 5.8879 5.8879 6.1579 6.1579 6.5657 6.5657 6.7964 6.7964 10.2956 10.2956 10.3061 10.3061 10.8483 10.8483 10.8981 10.8981 11.3354 11.3354 11.4090 11.4090 k = 0.0000 0.5736 0.3281 ( 5876 PWs) bands (ev): -10.1084 -10.1084 -10.0893 -10.0893 -9.9600 -9.9600 -9.6296 -9.6296 -9.4216 -9.4216 -9.2465 -9.2465 -9.1456 -9.1456 -9.1092 -9.1092 2.5428 2.5428 2.5549 2.5549 2.7559 2.7559 2.7794 2.7794 3.2886 3.2886 3.4034 3.4034 3.5169 3.5169 3.6615 3.6615 3.8321 3.8321 3.9858 3.9858 4.1534 4.1534 4.2693 4.2693 4.3641 4.3641 4.6002 4.6002 4.8691 4.8691 4.9327 4.9327 5.1737 5.1737 5.4781 5.4781 5.6138 5.6138 5.8331 5.8331 5.8724 5.8724 6.1337 6.1337 6.5655 6.5655 6.7924 6.7924 10.2882 10.2882 10.3004 10.3004 10.8623 10.8623 10.8905 10.8905 11.3368 11.3368 11.4209 11.4209 k = 0.5000 0.4360 0.4965 ( 5836 PWs) bands (ev): -10.1515 -10.1515 -10.1512 -10.1512 -9.8396 -9.8396 -9.8391 -9.8391 -9.3592 -9.3592 -9.3487 -9.3487 -9.0094 -9.0094 -8.9928 -8.9928 2.5809 2.5809 2.5832 2.5832 2.7523 2.7523 2.7530 2.7530 3.1478 3.1478 3.1505 3.1505 3.3481 3.3481 3.3547 3.3547 4.3532 4.3532 4.3748 4.3748 4.5287 4.5287 4.5442 4.5442 4.7066 4.7066 4.7229 4.7229 4.9965 4.9965 4.9989 4.9989 5.3463 5.3463 5.3476 5.3476 5.7486 5.7486 5.7692 5.7692 5.9749 5.9749 5.9850 5.9850 6.3507 6.3507 6.3510 6.3510 9.8883 9.8883 9.9058 9.9058 10.4973 10.4973 10.5058 10.5058 10.9214 10.9214 10.9900 10.9900 k = 0.5000 0.4199 0.4965 ( 5830 PWs) bands (ev): -10.1494 -10.1494 -10.1491 -10.1491 -9.8421 -9.8421 -9.8414 -9.8414 -9.3568 -9.3568 -9.3460 -9.3460 -9.0114 -9.0114 -8.9948 -8.9948 2.5807 2.5807 2.5833 2.5833 2.7486 2.7486 2.7490 2.7490 3.1509 3.1509 3.1536 3.1536 3.3468 3.3468 3.3529 3.3529 4.3247 4.3247 4.3453 4.3453 4.5457 4.5457 4.5596 4.5596 4.7236 4.7236 4.7404 4.7404 4.9812 4.9812 4.9831 4.9831 5.3418 5.3418 5.3440 5.3440 5.7654 5.7654 5.7888 5.7888 5.9719 5.9719 5.9789 5.9789 6.3460 6.3460 6.3465 6.3465 9.8986 9.8986 9.9158 9.9158 10.5056 10.5056 10.5142 10.5142 10.9212 10.9212 10.9903 10.9903 k = 0.5000 0.4037 0.4965 ( 5832 PWs) bands (ev): -10.1471 -10.1471 -10.1467 -10.1467 -9.8451 -9.8451 -9.8443 -9.8443 -9.3536 -9.3536 -9.3425 -9.3425 -9.0137 -9.0137 -8.9970 -8.9970 2.5811 2.5811 2.5842 2.5842 2.7440 2.7440 2.7440 2.7440 3.1539 3.1539 3.1567 3.1567 3.3453 3.3453 3.3508 3.3508 4.2962 4.2962 4.3159 4.3159 4.5569 4.5569 4.5690 4.5690 4.7437 4.7437 4.7608 4.7608 4.9651 4.9651 4.9665 4.9665 5.3376 5.3376 5.3410 5.3410 5.7799 5.7799 5.8071 5.8071 5.9720 5.9720 5.9748 5.9748 6.3424 6.3424 6.3438 6.3438 9.9114 9.9114 9.9281 9.9281 10.5156 10.5156 10.5242 10.5242 10.9216 10.9216 10.9909 10.9909 k = 0.5000 0.3876 0.4965 ( 5834 PWs) bands (ev): -10.1446 -10.1446 -10.1441 -10.1441 -9.8487 -9.8487 -9.8478 -9.8478 -9.3498 -9.3498 -9.3383 -9.3383 -9.0163 -9.0163 -8.9996 -8.9996 2.5822 2.5822 2.5857 2.5857 2.7379 2.7379 2.7384 2.7384 3.1573 3.1573 3.1601 3.1601 3.3435 3.3435 3.3484 3.3484 4.2682 4.2682 4.2870 4.2870 4.5630 4.5630 4.5734 4.5734 4.7644 4.7644 4.7810 4.7810 4.9505 4.9505 4.9518 4.9518 5.3334 5.3334 5.3383 5.3383 5.7899 5.7899 5.8212 5.8212 5.9746 5.9746 5.9765 5.9765 6.3407 6.3407 6.3431 6.3431 9.9264 9.9264 9.9425 9.9425 10.5272 10.5272 10.5357 10.5357 10.9227 10.9227 10.9919 10.9919 k = 0.5000 0.3714 0.4965 ( 5844 PWs) bands (ev): -10.1419 -10.1419 -10.1412 -10.1412 -9.8528 -9.8528 -9.8517 -9.8517 -9.3453 -9.3453 -9.3334 -9.3334 -9.0192 -9.0192 -9.0025 -9.0025 2.5837 2.5837 2.5878 2.5878 2.7309 2.7309 2.7318 2.7318 3.1610 3.1610 3.1638 3.1638 3.3416 3.3416 3.3456 3.3456 4.2411 4.2411 4.2588 4.2588 4.5646 4.5646 4.5735 4.5735 4.7824 4.7824 4.7971 4.7971 4.9401 4.9401 4.9419 4.9419 5.3292 5.3292 5.3358 5.3358 5.7937 5.7937 5.8284 5.8284 5.9802 5.9802 5.9861 5.9861 6.3414 6.3414 6.3449 6.3449 9.9433 9.9433 9.9589 9.9589 10.5399 10.5399 10.5483 10.5483 10.9249 10.9249 10.9934 10.9934 k = 0.5000 0.3553 0.4965 ( 5836 PWs) bands (ev): -10.1389 -10.1389 -10.1381 -10.1381 -9.8574 -9.8574 -9.8562 -9.8562 -9.3401 -9.3401 -9.3279 -9.3279 -9.0224 -9.0224 -9.0056 -9.0056 2.5857 2.5857 2.5904 2.5904 2.7230 2.7230 2.7245 2.7245 3.1651 3.1651 3.1679 3.1679 3.3395 3.3395 3.3427 3.3427 4.2152 4.2152 4.2317 4.2317 4.5623 4.5623 4.5700 4.5700 4.7946 4.7946 4.8061 4.8061 4.9361 4.9361 4.9391 4.9391 5.3253 5.3253 5.3342 5.3342 5.7915 5.7915 5.8282 5.8282 5.9914 5.9914 5.9998 5.9998 6.3451 6.3451 6.3498 6.3498 9.9620 9.9620 9.9768 9.9768 10.5535 10.5535 10.5616 10.5616 10.9281 10.9281 10.9956 10.9956 k = 0.5000 0.3391 0.4965 ( 5846 PWs) bands (ev): -10.1358 -10.1358 -10.1348 -10.1348 -9.8625 -9.8625 -9.8611 -9.8611 -9.3344 -9.3344 -9.3218 -9.3218 -9.0259 -9.0259 -9.0090 -9.0090 2.5880 2.5880 2.5933 2.5933 2.7143 2.7143 2.7164 2.7164 3.1696 3.1696 3.1724 3.1724 3.3374 3.3374 3.3396 3.3396 4.1907 4.1907 4.2061 4.2061 4.5565 4.5565 4.5630 4.5630 4.7997 4.7997 4.8070 4.8070 4.9388 4.9388 4.9432 4.9432 5.3224 5.3224 5.3339 5.3339 5.7845 5.7845 5.8217 5.8217 6.0063 6.0063 6.0159 6.0159 6.3523 6.3523 6.3579 6.3579 9.9822 9.9822 9.9962 9.9962 10.5675 10.5675 10.5753 10.5753 10.9328 10.9328 10.9987 10.9987 k = 0.5000 0.3230 0.4965 ( 5842 PWs) bands (ev): -10.1324 -10.1324 -10.1313 -10.1313 -9.8679 -9.8679 -9.8663 -9.8663 -9.3282 -9.3282 -9.3153 -9.3153 -9.0296 -9.0296 -9.0128 -9.0128 2.5905 2.5905 2.5965 2.5965 2.7050 2.7050 2.7076 2.7076 3.1746 3.1746 3.1772 3.1772 3.3354 3.3354 3.3366 3.3366 4.1679 4.1679 4.1820 4.1820 4.5476 4.5476 4.5532 4.5532 4.7990 4.7990 4.8024 4.8024 4.9453 4.9453 4.9504 4.9504 5.3214 5.3214 5.3360 5.3360 5.7741 5.7741 5.8111 5.8111 6.0228 6.0228 6.0326 6.0326 6.3630 6.3630 6.3694 6.3694 10.0035 10.0035 10.0166 10.0166 10.5816 10.5816 10.5887 10.5887 10.9392 10.9392 11.0030 11.0030 k = 0.5000 0.3068 0.4965 ( 5840 PWs) bands (ev): -10.1288 -10.1288 -10.1276 -10.1276 -9.8737 -9.8737 -9.8720 -9.8720 -9.3215 -9.3215 -9.3082 -9.3082 -9.0336 -9.0336 -9.0167 -9.0167 2.5930 2.5930 2.5998 2.5998 2.6952 2.6952 2.6984 2.6984 3.1797 3.1797 3.1822 3.1822 3.3336 3.3336 3.3338 3.3338 4.1470 4.1470 4.1598 4.1598 4.5360 4.5360 4.5408 4.5408 4.7949 4.7949 4.7949 4.7949 4.9518 4.9518 4.9566 4.9566 5.3233 5.3233 5.3413 5.3413 5.7616 5.7616 5.7982 5.7982 6.0392 6.0392 6.0488 6.0488 6.3770 6.3770 6.3841 6.3841 10.0258 10.0258 10.0379 10.0379 10.5952 10.5952 10.6015 10.6015 10.9477 10.9477 11.0090 11.0090 k = 0.5000 0.2907 0.4965 ( 5840 PWs) bands (ev): -10.1251 -10.1251 -10.1236 -10.1236 -9.8798 -9.8798 -9.8779 -9.8779 -9.3144 -9.3144 -9.3007 -9.3007 -9.0380 -9.0380 -9.0210 -9.0210 2.5954 2.5954 2.6031 2.6031 2.6850 2.6850 2.6889 2.6889 3.1849 3.1849 3.1873 3.1873 3.3314 3.3314 3.3322 3.3322 4.1283 4.1283 4.1397 4.1397 4.5225 4.5225 4.5265 4.5265 4.7861 4.7861 4.7890 4.7890 4.9551 4.9551 4.9589 4.9589 5.3289 5.3289 5.3504 5.3504 5.7482 5.7482 5.7843 5.7843 6.0546 6.0546 6.0638 6.0638 6.3941 6.3941 6.4016 6.4016 10.0487 10.0487 10.0598 10.0598 10.6079 10.6079 10.6131 10.6131 10.9586 10.9586 11.0169 11.0169 k = 0.5000 0.2745 0.4965 ( 5834 PWs) bands (ev): -10.1211 -10.1211 -10.1195 -10.1195 -9.8861 -9.8861 -9.8841 -9.8841 -9.3070 -9.3070 -9.2929 -9.2929 -9.0425 -9.0425 -9.0255 -9.0255 2.5976 2.5976 2.6062 2.6062 2.6748 2.6748 2.6794 2.6794 3.1899 3.1899 3.1921 3.1921 3.3296 3.3296 3.3314 3.3314 4.1119 4.1119 4.1220 4.1220 4.5077 4.5077 4.5110 4.5110 4.7763 4.7763 4.7817 4.7817 4.9534 4.9534 4.9561 4.9561 5.3385 5.3385 5.3632 5.3632 5.7347 5.7347 5.7702 5.7702 6.0689 6.0689 6.0774 6.0774 6.4134 6.4134 6.4212 6.4212 10.0720 10.0720 10.0820 10.0820 10.6194 10.6194 10.6232 10.6232 10.9721 10.9721 11.0271 11.0271 k = 0.5000 0.2584 0.4965 ( 5826 PWs) bands (ev): -10.1170 -10.1170 -10.1152 -10.1152 -9.8926 -9.8926 -9.8905 -9.8905 -9.2992 -9.2992 -9.2847 -9.2847 -9.0473 -9.0473 -9.0303 -9.0303 2.5994 2.5994 2.6088 2.6088 2.6648 2.6648 2.6700 2.6700 3.1945 3.1945 3.1966 3.1966 3.3286 3.3286 3.3313 3.3313 4.0981 4.0981 4.1068 4.1068 4.4924 4.4924 4.4950 4.4950 4.7654 4.7654 4.7730 4.7730 4.9464 4.9464 4.9481 4.9481 5.3517 5.3517 5.3794 5.3794 5.7218 5.7218 5.7569 5.7569 6.0821 6.0821 6.0900 6.0900 6.4343 6.4343 6.4421 6.4421 10.0954 10.0954 10.1043 10.1043 10.6291 10.6291 10.6314 10.6314 10.9885 10.9885 11.0399 11.0399 k = 0.5000 0.2422 0.4965 ( 5830 PWs) bands (ev): -10.1127 -10.1127 -10.1107 -10.1107 -9.8993 -9.8993 -9.8971 -9.8971 -9.2912 -9.2912 -9.2764 -9.2764 -9.0524 -9.0524 -9.0353 -9.0353 2.6004 2.6004 2.6109 2.6109 2.6553 2.6553 2.6611 2.6611 3.1985 3.1985 3.2004 3.2004 3.3286 3.3286 3.3322 3.3322 4.0870 4.0870 4.0942 4.0942 4.4772 4.4772 4.4791 4.4791 4.7528 4.7528 4.7622 4.7622 4.9346 4.9346 4.9354 4.9354 5.3677 5.3677 5.3978 5.3978 5.7102 5.7102 5.7448 5.7448 6.0944 6.0944 6.1016 6.1016 6.4558 6.4558 6.4636 6.4636 10.1187 10.1187 10.1265 10.1265 10.6370 10.6370 10.6376 10.6376 11.0076 11.0076 11.0553 11.0553 k = 0.5000 0.2261 0.4965 ( 5824 PWs) bands (ev): -10.1082 -10.1082 -10.1060 -10.1060 -9.9062 -9.9062 -9.9039 -9.9039 -9.2830 -9.2830 -9.2677 -9.2677 -9.0577 -9.0577 -9.0406 -9.0406 2.6005 2.6005 2.6119 2.6119 2.6466 2.6466 2.6530 2.6530 3.2017 3.2017 3.2036 3.2036 3.3297 3.3297 3.3339 3.3339 4.0787 4.0787 4.0846 4.0846 4.4627 4.4627 4.4640 4.4640 4.7381 4.7381 4.7490 4.7490 4.9190 4.9190 4.9192 4.9192 5.3854 5.3854 5.4175 5.4175 5.7003 5.7003 5.7344 5.7344 6.1062 6.1062 6.1126 6.1126 6.4774 6.4774 6.4850 6.4850 10.1417 10.1417 10.1484 10.1484 10.6418 10.6418 10.6428 10.6428 11.0294 11.0294 11.0734 11.0734 k = 0.5000 0.2099 0.4965 ( 5830 PWs) bands (ev): -10.1036 -10.1036 -10.1012 -10.1012 -9.9131 -9.9131 -9.9108 -9.9108 -9.2745 -9.2745 -9.2590 -9.2590 -9.0633 -9.0633 -9.0461 -9.0461 2.5994 2.5994 2.6115 2.6115 2.6391 2.6391 2.6463 2.6463 3.2041 3.2041 3.2060 3.2060 3.3317 3.3317 3.3365 3.3365 4.0734 4.0734 4.0780 4.0780 4.4494 4.4494 4.4500 4.4500 4.7210 4.7210 4.7329 4.7329 4.9002 4.9002 4.9006 4.9006 5.4037 5.4037 5.4375 5.4375 5.6925 5.6925 5.7262 5.7262 6.1175 6.1175 6.1233 6.1233 6.4984 6.4984 6.5057 6.5057 10.1642 10.1642 10.1698 10.1698 10.6441 10.6441 10.6467 10.6467 11.0536 11.0536 11.0941 11.0941 k = 0.5000 0.1938 0.4965 ( 5826 PWs) bands (ev): -10.0988 -10.0988 -10.0962 -10.0962 -9.9201 -9.9201 -9.9177 -9.9177 -9.2660 -9.2660 -9.2501 -9.2501 -9.0691 -9.0691 -9.0519 -9.0519 2.5966 2.5966 2.6092 2.6092 2.6331 2.6331 2.6415 2.6415 3.2057 3.2057 3.2078 3.2078 3.3346 3.3346 3.3398 3.3398 4.0712 4.0712 4.0745 4.0745 4.4374 4.4374 4.4375 4.4375 4.7013 4.7013 4.7137 4.7137 4.8792 4.8792 4.8804 4.8804 5.4218 5.4218 5.4570 5.4570 5.6871 5.6871 5.7203 5.7203 6.1286 6.1286 6.1338 6.1338 6.5184 6.5184 6.5255 6.5255 10.1860 10.1860 10.1905 10.1905 10.6446 10.6446 10.6487 10.6487 11.0797 11.0797 11.1169 11.1169 k = 0.5000 0.1776 0.4965 ( 5826 PWs) bands (ev): -10.0939 -10.0939 -10.0911 -10.0911 -9.9270 -9.9270 -9.9247 -9.9247 -9.2573 -9.2573 -9.2411 -9.2411 -9.0751 -9.0751 -9.0579 -9.0579 2.5924 2.5924 2.6052 2.6052 2.6288 2.6288 2.6385 2.6385 3.2067 3.2067 3.2090 3.2090 3.3381 3.3381 3.3436 3.3436 4.0721 4.0721 4.0742 4.0742 4.4264 4.4264 4.4271 4.4271 4.6792 4.6792 4.6917 4.6917 4.8569 4.8569 4.8588 4.8588 5.4391 5.4391 5.4754 5.4754 5.6839 5.6839 5.7167 5.7167 6.1396 6.1396 6.1442 6.1442 6.5371 6.5371 6.5438 6.5438 10.2070 10.2070 10.2104 10.2104 10.6438 10.6438 10.6491 10.6491 11.1074 11.1074 11.1416 11.1416 k = 0.5000 0.1615 0.4965 ( 5824 PWs) bands (ev): -10.0890 -10.0890 -10.0859 -10.0859 -9.9340 -9.9340 -9.9316 -9.9316 -9.2486 -9.2486 -9.2320 -9.2320 -9.0813 -9.0813 -9.0641 -9.0641 2.5872 2.5872 2.6000 2.6000 2.6257 2.6257 2.6368 2.6368 3.2071 3.2071 3.2096 3.2096 3.3421 3.3421 3.3477 3.3477 4.0762 4.0762 4.0770 4.0770 4.4169 4.4169 4.4184 4.4184 4.6552 4.6552 4.6674 4.6674 4.8336 4.8336 4.8364 4.8364 5.4551 5.4551 5.4924 5.4924 5.6828 5.6828 5.7152 5.7152 6.1505 6.1505 6.1545 6.1545 6.5540 6.5540 6.5604 6.5604 10.2269 10.2269 10.2294 10.2294 10.6418 10.6418 10.6480 10.6480 11.1362 11.1362 11.1677 11.1678 k = 0.5000 0.1453 0.4965 ( 5834 PWs) bands (ev): -10.0839 -10.0839 -10.0806 -10.0806 -9.9408 -9.9408 -9.9386 -9.9386 -9.2398 -9.2398 -9.2229 -9.2229 -9.0877 -9.0877 -9.0706 -9.0706 2.5815 2.5815 2.5944 2.5944 2.6233 2.6233 2.6358 2.6358 3.2072 3.2072 3.2100 3.2100 3.3461 3.3461 3.3518 3.3518 4.0831 4.0831 4.0833 4.0833 4.4087 4.4087 4.4110 4.4110 4.6301 4.6301 4.6416 4.6416 4.8095 4.8095 4.8132 4.8132 5.4698 5.4698 5.5077 5.5077 5.6834 5.6834 5.7155 5.7155 6.1612 6.1612 6.1648 6.1648 6.5692 6.5692 6.5753 6.5753 10.2457 10.2457 10.2473 10.2473 10.6388 10.6388 10.6458 10.6458 11.1655 11.1655 11.1948 11.1948 k = 0.5000 0.1292 0.4965 ( 5834 PWs) bands (ev): -10.0789 -10.0789 -10.0753 -10.0753 -9.9476 -9.9476 -9.9453 -9.9453 -9.2311 -9.2311 -9.2139 -9.2139 -9.0943 -9.0943 -9.0772 -9.0772 2.5758 2.5758 2.5889 2.5889 2.6214 2.6214 2.6349 2.6349 3.2071 3.2071 3.2101 3.2101 3.3502 3.3502 3.3558 3.3558 4.0923 4.0923 4.0935 4.0935 4.4013 4.4013 4.4044 4.4044 4.6051 4.6051 4.6156 4.6156 4.7850 4.7850 4.7895 4.7895 5.4831 5.4831 5.5215 5.5215 5.6852 5.6852 5.7169 5.7169 6.1718 6.1718 6.1748 6.1748 6.5826 6.5826 6.5883 6.5883 10.2632 10.2632 10.2640 10.2640 10.6353 10.6353 10.6428 10.6428 11.1950 11.1950 11.2223 11.2223 k = 0.5000 0.1130 0.4965 ( 5836 PWs) bands (ev): -10.0739 -10.0739 -10.0700 -10.0700 -9.9541 -9.9541 -9.9520 -9.9520 -9.2225 -9.2225 -9.2049 -9.2049 -9.1010 -9.1010 -9.0840 -9.0840 2.5704 2.5704 2.5837 2.5837 2.6197 2.6197 2.6342 2.6342 3.2069 3.2069 3.2102 3.2102 3.3540 3.3540 3.3595 3.3595 4.1045 4.1045 4.1066 4.1066 4.3936 4.3936 4.3977 4.3977 4.5816 4.5816 4.5909 4.5909 4.7602 4.7602 4.7655 4.7655 5.4951 5.4951 5.5337 5.5337 5.6877 5.6877 5.7191 5.7191 6.1819 6.1819 6.1844 6.1844 6.5941 6.5941 6.5995 6.5995 10.2792 10.2792 10.2793 10.2793 10.6313 10.6313 10.6393 10.6393 11.2240 11.2241 11.2496 11.2496 k = 0.5000 0.0969 0.4965 ( 5832 PWs) bands (ev): -10.0690 -10.0690 -10.0648 -10.0648 -9.9603 -9.9603 -9.9583 -9.9583 -9.2139 -9.2139 -9.1960 -9.1960 -9.1078 -9.1078 -9.0909 -9.0909 2.5655 2.5655 2.5791 2.5791 2.6181 2.6181 2.6334 2.6334 3.2066 3.2066 3.2101 3.2101 3.3575 3.3575 3.3628 3.3628 4.1195 4.1195 4.1224 4.1224 4.3844 4.3844 4.3896 4.3896 4.5615 4.5615 4.5692 4.5692 4.7355 4.7355 4.7415 4.7415 5.5057 5.5057 5.5446 5.5446 5.6904 5.6904 5.7216 5.7216 6.1915 6.1915 6.1935 6.1935 6.6037 6.6037 6.6088 6.6088 10.2930 10.2930 10.2938 10.2938 10.6272 10.6272 10.6354 10.6354 11.2522 11.2522 11.2763 11.2763 k = 0.5000 0.0807 0.4965 ( 5828 PWs) bands (ev): -10.0643 -10.0643 -10.0598 -10.0598 -9.9661 -9.9661 -9.9644 -9.9644 -9.2056 -9.2056 -9.1873 -9.1873 -9.1146 -9.1146 -9.0980 -9.0980 2.5614 2.5614 2.5751 2.5751 2.6166 2.6166 2.6326 2.6326 3.2063 3.2063 3.2101 3.2101 3.3605 3.3605 3.3657 3.3657 4.1371 4.1371 4.1408 4.1408 4.3720 4.3720 4.3783 4.3783 4.5466 4.5466 4.5527 4.5527 4.7112 4.7112 4.7179 4.7179 5.5151 5.5151 5.5539 5.5539 5.6930 5.6930 5.7240 5.7240 6.2002 6.2002 6.2018 6.2018 6.6116 6.6116 6.6165 6.6165 10.3051 10.3051 10.3065 10.3065 10.6232 10.6232 10.6315 10.6315 11.2789 11.2789 11.3017 11.3017 k = 0.5000 0.0646 0.4965 ( 5834 PWs) bands (ev): -10.0600 -10.0600 -10.0552 -10.0552 -9.9714 -9.9714 -9.9699 -9.9699 -9.1976 -9.1976 -9.1788 -9.1788 -9.1214 -9.1214 -9.1051 -9.1051 2.5579 2.5579 2.5718 2.5718 2.6152 2.6152 2.6318 2.6318 3.2060 3.2060 3.2100 3.2100 3.3630 3.3630 3.3680 3.3680 4.1571 4.1571 4.1614 4.1614 4.3555 4.3555 4.3628 4.3628 4.5381 4.5381 4.5426 4.5426 4.6880 4.6880 4.6953 4.6953 5.5231 5.5231 5.5619 5.5619 5.6951 5.6951 5.7260 5.7260 6.2078 6.2078 6.2090 6.2090 6.6179 6.6179 6.6225 6.6225 10.3153 10.3153 10.3172 10.3172 10.6195 10.6195 10.6279 10.6279 11.3034 11.3034 11.3251 11.3251 k = 0.5000 0.0484 0.4965 ( 5842 PWs) bands (ev): -10.0562 -10.0562 -10.0511 -10.0511 -9.9760 -9.9760 -9.9746 -9.9746 -9.1900 -9.1900 -9.1708 -9.1708 -9.1280 -9.1280 -9.1121 -9.1121 2.5551 2.5551 2.5693 2.5693 2.6141 2.6141 2.6311 2.6311 3.2058 3.2058 3.2100 3.2100 3.3650 3.3650 3.3698 3.3698 4.1790 4.1790 4.1839 4.1839 4.3349 4.3349 4.3429 4.3429 4.5357 4.5357 4.5388 4.5388 4.6666 4.6666 4.6746 4.6746 5.5295 5.5295 5.5683 5.5683 5.6968 5.6968 5.7276 5.7276 6.2141 6.2141 6.2150 6.2150 6.6226 6.6226 6.6270 6.6270 10.3235 10.3235 10.3258 10.3258 10.6163 10.6163 10.6248 10.6248 11.3249 11.3249 11.3458 11.3458 k = 0.5000 0.0323 0.4965 ( 5840 PWs) bands (ev): -10.0531 -10.0531 -10.0478 -10.0478 -9.9795 -9.9795 -9.9784 -9.9784 -9.1834 -9.1834 -9.1635 -9.1635 -9.1339 -9.1339 -9.1186 -9.1186 2.5532 2.5532 2.5674 2.5674 2.6133 2.6133 2.6306 2.6306 3.2056 3.2056 3.2099 3.2099 3.3664 3.3664 3.3711 3.3711 4.2024 4.2024 4.2075 4.2075 4.3116 4.3116 4.3200 4.3200 4.5377 4.5377 4.5397 4.5397 4.6484 4.6484 4.6572 4.6572 5.5343 5.5343 5.5730 5.5730 5.6980 5.6980 5.7287 5.7287 6.2187 6.2187 6.2194 6.2194 6.6259 6.6259 6.6301 6.6301 10.3295 10.3295 10.3321 10.3321 10.6139 10.6139 10.6224 10.6224 11.3422 11.3422 11.3624 11.3624 k = 0.5000 0.0161 0.4965 ( 5838 PWs) bands (ev): -10.0512 -10.0512 -10.0456 -10.0456 -9.9818 -9.9818 -9.9809 -9.9809 -9.1785 -9.1785 -9.1578 -9.1578 -9.1384 -9.1384 -9.1238 -9.1238 2.5520 2.5520 2.5663 2.5663 2.6128 2.6128 2.6303 2.6303 3.2055 3.2055 3.2099 3.2099 3.3672 3.3672 3.3719 3.3719 4.2258 4.2258 4.2308 4.2308 4.2878 4.2878 4.2968 4.2968 4.5413 4.5413 4.5423 4.5423 4.6354 4.6354 4.6449 4.6449 5.5372 5.5372 5.5759 5.5759 5.6987 5.6987 5.7293 5.7293 6.2216 6.2216 6.2221 6.2221 6.6278 6.6278 6.6319 6.6319 10.3332 10.3332 10.3360 10.3360 10.6124 10.6124 10.6208 10.6208 11.3538 11.3538 11.3735 11.3735 k = 0.5000-0.0000 0.4965 ( 5840 PWs) bands (ev): -10.0505 -10.0505 -10.0448 -10.0448 -9.9826 -9.9826 -9.9818 -9.9818 -9.1766 -9.1766 -9.1555 -9.1555 -9.1402 -9.1402 -9.1259 -9.1259 2.5516 2.5516 2.5659 2.5659 2.6126 2.6126 2.6302 2.6302 3.2055 3.2055 3.2099 3.2099 3.3675 3.3675 3.3721 3.3721 4.2406 4.2406 4.2446 4.2446 4.2728 4.2728 4.2829 4.2829 4.5431 4.5431 4.5437 4.5437 4.6306 4.6306 4.6404 4.6404 5.5382 5.5382 5.5769 5.5769 5.6989 5.6989 5.7295 5.7295 6.2226 6.2226 6.2231 6.2231 6.6284 6.6284 6.6325 6.6325 10.3344 10.3344 10.3373 10.3373 10.6119 10.6119 10.6203 10.6203 11.3579 11.3579 11.3774 11.3774 k = 0.5000-0.0000 0.4965 ( 5840 PWs) bands (ev): -10.0505 -10.0505 -10.0448 -10.0448 -9.9826 -9.9826 -9.9818 -9.9818 -9.1766 -9.1766 -9.1555 -9.1555 -9.1402 -9.1402 -9.1259 -9.1259 2.5516 2.5516 2.5659 2.5659 2.6126 2.6126 2.6302 2.6302 3.2055 3.2055 3.2099 3.2099 3.3675 3.3675 3.3721 3.3721 4.2406 4.2406 4.2446 4.2446 4.2728 4.2728 4.2829 4.2829 4.5431 4.5431 4.5437 4.5437 4.6306 4.6306 4.6404 4.6404 5.5382 5.5382 5.5769 5.5769 5.6989 5.6989 5.7295 5.7295 6.2226 6.2226 6.2231 6.2231 6.6284 6.6284 6.6325 6.6325 10.3344 10.3344 10.3373 10.3373 10.6119 10.6119 10.6203 10.6203 11.3579 11.3579 11.3774 11.3774 k = 0.5000-0.0000 0.4800 ( 5840 PWs) bands (ev): -10.0533 -10.0533 -10.0480 -10.0480 -9.9797 -9.9797 -9.9785 -9.9785 -9.1788 -9.1788 -9.1579 -9.1579 -9.1379 -9.1379 -9.1235 -9.1235 2.5492 2.5492 2.5637 2.5637 2.6157 2.6157 2.6331 2.6331 3.2043 3.2043 3.2086 3.2086 3.3671 3.3671 3.3717 3.3717 4.2041 4.2041 4.2109 4.2109 4.3020 4.3020 4.3085 4.3085 4.5252 4.5252 4.5287 4.5287 4.6581 4.6581 4.6658 4.6658 5.5280 5.5280 5.5658 5.5658 5.7079 5.7079 5.7391 5.7391 6.2232 6.2232 6.2238 6.2238 6.6287 6.6287 6.6329 6.6329 10.3358 10.3358 10.3388 10.3388 10.6127 10.6127 10.6211 10.6211 11.3566 11.3566 11.3761 11.3761 k = 0.5000-0.0000 0.4634 ( 5842 PWs) bands (ev): -10.0608 -10.0608 -10.0563 -10.0563 -9.9721 -9.9721 -9.9700 -9.9700 -9.1843 -9.1843 -9.1637 -9.1637 -9.1323 -9.1323 -9.1177 -9.1177 2.5431 2.5431 2.5578 2.5578 2.6239 2.6239 2.6410 2.6410 3.2009 3.2009 3.2049 3.2049 3.3656 3.3656 3.3704 3.3704 4.1533 4.1533 4.1611 4.1611 4.3242 4.3242 4.3274 4.3274 4.5079 4.5079 4.5151 4.5151 4.7112 4.7112 4.7171 4.7171 5.5022 5.5022 5.5384 5.5384 5.7299 5.7299 5.7623 5.7623 6.2253 6.2253 6.2260 6.2260 6.6294 6.6294 6.6338 6.6338 10.3401 10.3401 10.3433 10.3433 10.6150 10.6150 10.6234 10.6234 11.3528 11.3528 11.3722 11.3722 k = 0.5000-0.0000 0.4469 ( 5838 PWs) bands (ev): -10.0709 -10.0709 -10.0672 -10.0672 -9.9618 -9.9618 -9.9588 -9.9588 -9.1914 -9.1914 -9.1709 -9.1709 -9.1251 -9.1251 -9.1105 -9.1105 2.5351 2.5351 2.5501 2.5501 2.6354 2.6354 2.6522 2.6522 3.1954 3.1954 3.1989 3.1989 3.3629 3.3629 3.3679 3.3679 4.1020 4.1020 4.1101 4.1101 4.3147 4.3147 4.3160 4.3160 4.5204 4.5204 4.5294 4.5294 4.7713 4.7713 4.7765 4.7765 5.4678 5.4678 5.5024 5.5024 5.7581 5.7581 5.7912 5.7912 6.2287 6.2287 6.2297 6.2297 6.6307 6.6307 6.6355 6.6355 10.3471 10.3471 10.3508 10.3508 10.6188 10.6188 10.6271 10.6271 11.3467 11.3467 11.3659 11.3660 k = 0.5000-0.0000 0.4303 ( 5840 PWs) bands (ev): -10.0823 -10.0823 -10.0793 -10.0793 -9.9500 -9.9500 -9.9463 -9.9463 -9.1992 -9.1992 -9.1787 -9.1787 -9.1170 -9.1170 -9.1026 -9.1026 2.5265 2.5265 2.5417 2.5417 2.6489 2.6489 2.6654 2.6654 3.1879 3.1879 3.1906 3.1906 3.3586 3.3586 3.3638 3.3638 4.0522 4.0522 4.0605 4.0605 4.2813 4.2813 4.2825 4.2825 4.5569 4.5569 4.5654 4.5654 4.8346 4.8346 4.8394 4.8394 5.4290 5.4290 5.4621 5.4621 5.7885 5.7885 5.8218 5.8218 6.2335 6.2335 6.2349 6.2349 6.6326 6.6326 6.6379 6.6379 10.3566 10.3566 10.3609 10.3609 10.6242 10.6242 10.6324 10.6324 11.3386 11.3386 11.3577 11.3577 k = 0.5000-0.0000 0.4138 ( 5840 PWs) bands (ev): -10.0944 -10.0944 -10.0919 -10.0919 -9.9375 -9.9375 -9.9331 -9.9331 -9.2074 -9.2074 -9.1867 -9.1867 -9.1086 -9.1086 -9.0946 -9.0946 2.5178 2.5178 2.5331 2.5331 2.6638 2.6638 2.6801 2.6801 3.1784 3.1784 3.1804 3.1804 3.3524 3.3524 3.3579 3.3579 4.0053 4.0053 4.0136 4.0136 4.2386 4.2386 4.2400 4.2400 4.6031 4.6031 4.6102 4.6102 4.8992 4.8992 4.9042 4.9042 5.3877 5.3877 5.4194 5.4194 5.8196 5.8196 5.8525 5.8525 6.2399 6.2399 6.2416 6.2416 6.6351 6.6351 6.6411 6.6411 10.3685 10.3685 10.3736 10.3736 10.6310 10.6310 10.6391 10.6391 11.3288 11.3288 11.3476 11.3476 k = 0.5000-0.0000 0.3972 ( 5834 PWs) bands (ev): -10.1067 -10.1067 -10.1047 -10.1047 -9.9246 -9.9246 -9.9196 -9.9196 -9.2156 -9.2156 -9.1948 -9.1948 -9.1001 -9.1001 -9.0864 -9.0864 2.5093 2.5093 2.5247 2.5247 2.6797 2.6797 2.6958 2.6958 3.1673 3.1673 3.1683 3.1683 3.3438 3.3438 3.3494 3.3494 3.9621 3.9621 3.9704 3.9704 4.1932 4.1932 4.1949 4.1949 4.6521 4.6521 4.6572 4.6572 4.9642 4.9642 4.9698 4.9698 5.3450 5.3450 5.3756 5.3756 5.8507 5.8507 5.8827 5.8827 6.2479 6.2479 6.2499 6.2499 6.6384 6.6384 6.6452 6.6452 10.3823 10.3823 10.3885 10.3885 10.6393 10.6393 10.6472 10.6472 11.3176 11.3176 11.3361 11.3361 k = 0.5000-0.0000 0.3807 ( 5830 PWs) bands (ev): -10.1191 -10.1191 -10.1175 -10.1175 -9.9117 -9.9117 -9.9060 -9.9060 -9.2238 -9.2238 -9.2029 -9.2029 -9.0915 -9.0915 -9.0782 -9.0782 2.5012 2.5012 2.5166 2.5166 2.6965 2.6965 2.7123 2.7123 3.1545 3.1545 3.1546 3.1546 3.3323 3.3323 3.3381 3.3381 3.9236 3.9236 3.9318 3.9318 4.1478 4.1478 4.1498 4.1498 4.7008 4.7008 4.7037 4.7037 5.0281 5.0281 5.0347 5.0347 5.3024 5.3024 5.3319 5.3319 5.8816 5.8816 5.9121 5.9121 6.2574 6.2574 6.2596 6.2596 6.6425 6.6425 6.6502 6.6502 10.3978 10.3978 10.4052 10.4052 10.6491 10.6491 10.6567 10.6567 11.3052 11.3052 11.3234 11.3234 k = 0.5000-0.0000 0.3641 ( 5832 PWs) bands (ev): -10.1314 -10.1314 -10.1302 -10.1302 -9.8987 -9.8987 -9.8924 -9.8924 -9.2320 -9.2320 -9.2110 -9.2110 -9.0829 -9.0829 -9.0701 -9.0701 2.4936 2.4936 2.5089 2.5089 2.7139 2.7139 2.7295 2.7295 3.1395 3.1395 3.1403 3.1403 3.3177 3.3177 3.3235 3.3235 3.8903 3.8903 3.8984 3.8984 4.1035 4.1035 4.1056 4.1056 4.7477 4.7477 4.7479 4.7479 5.0884 5.0884 5.0963 5.0963 5.2625 5.2625 5.2910 5.2910 5.9124 5.9124 5.9410 5.9410 6.2682 6.2682 6.2705 6.2705 6.6477 6.6477 6.6564 6.6564 10.4144 10.4144 10.4232 10.4232 10.6603 10.6603 10.6675 10.6675 11.2917 11.2917 11.3096 11.3096 k = 0.5000-0.0000 0.3476 ( 5832 PWs) bands (ev): -10.1435 -10.1435 -10.1426 -10.1426 -9.8857 -9.8857 -9.8790 -9.8790 -9.2400 -9.2400 -9.2189 -9.2189 -9.0744 -9.0744 -9.0621 -9.0621 2.4864 2.4864 2.5016 2.5016 2.7319 2.7319 2.7473 2.7473 3.1231 3.1231 3.1248 3.1248 3.2999 3.2999 3.3057 3.3057 3.8627 3.8627 3.8707 3.8707 4.0609 4.0609 4.0631 4.0631 4.7886 4.7886 4.7915 4.7915 5.1358 5.1358 5.1420 5.1420 5.2379 5.2379 5.2622 5.2622 5.9434 5.9434 5.9696 5.9696 6.2801 6.2801 6.2824 6.2824 6.6541 6.6541 6.6638 6.6638 10.4317 10.4317 10.4421 10.4421 10.6730 10.6730 10.6796 10.6796 11.2775 11.2775 11.2949 11.2949 k = 0.5000-0.0000 0.3310 ( 5830 PWs) bands (ev): -10.1554 -10.1554 -10.1548 -10.1548 -9.8730 -9.8730 -9.8658 -9.8658 -9.2479 -9.2479 -9.2268 -9.2268 -9.0660 -9.0660 -9.0543 -9.0543 2.4797 2.4797 2.4947 2.4947 2.7502 2.7502 2.7654 2.7654 3.1055 3.1055 3.1080 3.1080 3.2793 3.2793 3.2849 3.2849 3.8408 3.8408 3.8487 3.8487 4.0202 4.0202 4.0226 4.0226 4.8244 4.8244 4.8307 4.8307 5.1381 5.1381 5.1441 5.1441 5.2631 5.2631 5.2721 5.2721 5.9748 5.9748 5.9983 5.9983 6.2929 6.2929 6.2950 6.2950 6.6618 6.6618 6.6726 6.6726 10.4491 10.4491 10.4613 10.4613 10.6871 10.6871 10.6930 10.6930 11.2627 11.2627 11.2796 11.2796 k = 0.5000-0.0000 0.3145 ( 5838 PWs) bands (ev): -10.1669 -10.1669 -10.1666 -10.1666 -9.8605 -9.8605 -9.8528 -9.8528 -9.2555 -9.2555 -9.2345 -9.2345 -9.0578 -9.0578 -9.0466 -9.0466 2.4734 2.4734 2.4883 2.4883 2.7687 2.7687 2.7836 2.7836 3.0869 3.0869 3.0900 3.0900 3.2563 3.2563 3.2617 3.2617 3.8244 3.8244 3.8321 3.8321 3.9817 3.9817 3.9842 3.9842 4.8532 4.8532 4.8636 4.8636 5.1063 5.1063 5.1176 5.1176 5.3174 5.3174 5.3177 5.3177 6.0072 6.0072 6.0277 6.0277 6.3061 6.3061 6.3079 6.3079 6.6711 6.6711 6.6830 6.6830 10.4661 10.4661 10.4801 10.4801 10.7027 10.7027 10.7077 10.7077 11.2474 11.2474 11.2640 11.2640 k = 0.5000-0.0000 0.2979 ( 5834 PWs) bands (ev): -10.1781 -10.1781 -10.1780 -10.1780 -9.8483 -9.8483 -9.8402 -9.8402 -9.2629 -9.2629 -9.2420 -9.2420 -9.0499 -9.0499 -9.0392 -9.0392 2.4676 2.4676 2.4822 2.4822 2.7871 2.7871 2.8017 2.8017 3.0674 3.0674 3.0709 3.0709 3.2319 3.2319 3.2368 3.2368 3.8129 3.8129 3.8203 3.8203 3.9457 3.9457 3.9485 3.9485 4.8715 4.8715 4.8863 4.8863 5.0747 5.0747 5.0860 5.0860 5.3723 5.3723 5.3760 5.3760 6.0407 6.0407 6.0581 6.0581 6.3193 6.3193 6.3208 6.3208 6.6821 6.6821 6.6950 6.6950 10.4820 10.4820 10.4978 10.4978 10.7198 10.7198 10.7238 10.7238 11.2320 11.2320 11.2481 11.2481 k = 0.5000-0.0000 0.2814 ( 5844 PWs) bands (ev): -10.1889 -10.1889 -10.1889 -10.1889 -9.8364 -9.8364 -9.8280 -9.8280 -9.2701 -9.2701 -9.2494 -9.2494 -9.0421 -9.0421 -9.0320 -9.0320 2.4623 2.4623 2.4766 2.4766 2.8053 2.8053 2.8194 2.8194 3.0472 3.0472 3.0508 3.0508 3.2070 3.2070 3.2113 3.2113 3.8053 3.8053 3.8122 3.8122 3.9125 3.9125 3.9157 3.9157 4.8737 4.8737 4.8924 4.8924 5.0534 5.0534 5.0635 5.0635 5.4277 5.4277 5.4340 5.4340 6.0755 6.0755 6.0898 6.0898 6.3323 6.3323 6.3333 6.3333 6.6949 6.6949 6.7086 6.7086 10.4963 10.4963 10.5139 10.5139 10.7381 10.7381 10.7413 10.7413 11.2167 11.2167 11.2324 11.2324 k = 0.5000-0.0000 0.2648 ( 5846 PWs) bands (ev): -10.1995 -10.1995 -10.1993 -10.1993 -9.8248 -9.8248 -9.8162 -9.8162 -9.2769 -9.2769 -9.2565 -9.2565 -9.0346 -9.0346 -9.0251 -9.0251 2.4574 2.4574 2.4713 2.4713 2.8227 2.8227 2.8361 2.8361 3.0264 3.0264 3.0296 3.0296 3.1829 3.1829 3.1864 3.1864 3.8002 3.8002 3.8062 3.8062 3.8830 3.8830 3.8873 3.8873 4.8565 4.8565 4.8771 4.8771 5.0467 5.0467 5.0572 5.0572 5.4814 5.4814 5.4898 5.4898 6.1117 6.1117 6.1230 6.1230 6.3449 6.3449 6.3453 6.3453 6.7094 6.7094 6.7239 6.7239 10.5087 10.5087 10.5277 10.5277 10.7577 10.7577 10.7599 10.7599 11.2016 11.2016 11.2171 11.2171 k = 0.5000-0.0000 0.2483 ( 5852 PWs) bands (ev): -10.2095 -10.2095 -10.2092 -10.2092 -9.8137 -9.8137 -9.8048 -9.8048 -9.2835 -9.2835 -9.2635 -9.2635 -9.0274 -9.0274 -9.0184 -9.0184 2.4529 2.4529 2.4663 2.4663 2.8388 2.8388 2.8512 2.8512 3.0054 3.0054 3.0077 3.0077 3.1607 3.1607 3.1633 3.1633 3.7949 3.7949 3.7989 3.7989 3.8593 3.8593 3.8656 3.8656 4.8241 4.8241 4.8445 4.8445 5.0512 5.0512 5.0635 5.0635 5.5326 5.5326 5.5428 5.5428 6.1491 6.1491 6.1576 6.1576 6.3566 6.3566 6.3570 6.3570 6.7256 6.7256 6.7406 6.7406 10.5187 10.5187 10.5388 10.5388 10.7781 10.7781 10.7796 10.7796 11.1872 11.1872 11.2024 11.2024 k = 0.5000-0.0000 0.2317 ( 5856 PWs) bands (ev): -10.2190 -10.2190 -10.2186 -10.2186 -9.8030 -9.8030 -9.7940 -9.7940 -9.2897 -9.2897 -9.2702 -9.2702 -9.0205 -9.0205 -9.0121 -9.0121 2.4488 2.4488 2.4617 2.4617 2.8529 2.8529 2.8635 2.8635 2.9848 2.9848 2.9854 2.9854 3.1414 3.1414 3.1431 3.1431 3.7845 3.7845 3.7863 3.7863 3.8458 3.8458 3.8546 3.8546 4.7831 4.7831 4.8026 4.8026 5.0607 5.0607 5.0750 5.0750 5.5810 5.5810 5.5927 5.5927 6.1871 6.1871 6.1930 6.1930 6.3675 6.3675 6.3688 6.3688 6.7433 6.7433 6.7586 6.7586 10.5263 10.5263 10.5471 10.5471 10.7992 10.7992 10.8001 10.8001 11.1735 11.1735 11.1887 11.1887 k = 0.5000-0.0000 0.2152 ( 5852 PWs) bands (ev): -10.2279 -10.2279 -10.2274 -10.2274 -9.7928 -9.7928 -9.7838 -9.7838 -9.2956 -9.2956 -9.2767 -9.2767 -9.0139 -9.0139 -9.0061 -9.0061 2.4450 2.4450 2.4574 2.4574 2.8637 2.8637 2.8716 2.8716 2.9635 2.9635 2.9655 2.9655 3.1260 3.1260 3.1270 3.1270 3.7673 3.7673 3.7677 3.7677 3.8437 3.8437 3.8540 3.8540 4.7381 4.7381 4.7565 4.7565 5.0711 5.0711 5.0873 5.0873 5.6262 5.6262 5.6392 5.6392 6.2249 6.2249 6.2283 6.2283 6.3785 6.3785 6.3809 6.3809 6.7622 6.7622 6.7776 6.7776 10.5313 10.5313 10.5524 10.5524 10.8204 10.8204 10.8208 10.8208 11.1610 11.1610 11.1762 11.1762 k = 0.5000-0.0000 0.1986 ( 5844 PWs) bands (ev): -10.2363 -10.2363 -10.2357 -10.2357 -9.7831 -9.7831 -9.7741 -9.7741 -9.3011 -9.3011 -9.2829 -9.2829 -9.0077 -9.0077 -9.0005 -9.0005 2.4417 2.4417 2.4533 2.4533 2.8695 2.8695 2.8733 2.8733 2.9437 2.9437 2.9492 2.9492 3.1154 3.1154 3.1160 3.1160 3.7465 3.7465 3.7466 3.7466 3.8494 3.8494 3.8603 3.8603 4.6911 4.6911 4.7086 4.7086 5.0809 5.0809 5.0983 5.0983 5.6682 5.6682 5.6821 5.6821 6.2612 6.2612 6.2622 6.2622 6.3905 6.3905 6.3941 6.3941 6.7820 6.7820 6.7972 6.7972 10.5339 10.5339 10.5547 10.5547 10.8413 10.8413 10.8413 10.8413 11.1498 11.1498 11.1652 11.1652 k = 0.5000-0.0000 0.1821 ( 5838 PWs) bands (ev): -10.2440 -10.2440 -10.2435 -10.2435 -9.7739 -9.7739 -9.7651 -9.7651 -9.3061 -9.3061 -9.2888 -9.2888 -9.0018 -9.0018 -8.9952 -8.9952 2.4386 2.4386 2.4496 2.4496 2.8671 2.8671 2.8677 2.8677 2.9281 2.9281 2.9371 2.9371 3.1099 3.1099 3.1107 3.1107 3.7252 3.7252 3.7253 3.7253 3.8595 3.8595 3.8707 3.8707 4.6433 4.6433 4.6600 4.6600 5.0894 5.0894 5.1074 5.1074 5.7069 5.7069 5.7215 5.7215 6.2927 6.2927 6.2937 6.2937 6.4051 6.4051 6.4100 6.4100 6.8022 6.8022 6.8170 6.8170 10.5343 10.5343 10.5544 10.5544 10.8611 10.8611 10.8614 10.8614 11.1403 11.1403 11.1558 11.1558 k = 0.5000-0.0000 0.1655 ( 5838 PWs) bands (ev): -10.2512 -10.2512 -10.2506 -10.2506 -9.7653 -9.7653 -9.7568 -9.7568 -9.3108 -9.3108 -9.2944 -9.2944 -8.9964 -8.9964 -8.9904 -8.9904 2.4359 2.4359 2.4461 2.4461 2.8543 2.8543 2.8575 2.8575 2.9181 2.9181 2.9283 2.9283 3.1095 3.1095 3.1109 3.1109 3.7045 3.7045 3.7047 3.7047 3.8726 3.8726 3.8841 3.8841 4.5956 4.5956 4.6115 4.6115 5.0964 5.0964 5.1146 5.1146 5.7423 5.7423 5.7572 5.7572 6.3177 6.3177 6.3201 6.3201 6.4243 6.4243 6.4299 6.4299 6.8224 6.8224 6.8366 6.8366 10.5327 10.5327 10.5518 10.5518 10.8796 10.8796 10.8802 10.8802 11.1326 11.1326 11.1483 11.1483 k = 0.5000-0.0000 0.1490 ( 5842 PWs) bands (ev): -10.2577 -10.2577 -10.2571 -10.2571 -9.7573 -9.7573 -9.7492 -9.7492 -9.3149 -9.3149 -9.2997 -9.2997 -8.9914 -8.9914 -8.9860 -8.9860 2.4335 2.4335 2.4429 2.4429 2.8381 2.8381 2.8418 2.8418 2.9114 2.9114 2.9208 2.9208 3.1137 3.1137 3.1159 3.1159 3.6850 3.6850 3.6853 3.6853 3.8881 3.8881 3.8997 3.8997 4.5484 4.5484 4.5635 4.5635 5.1021 5.1021 5.1198 5.1198 5.7745 5.7745 5.7892 5.7892 6.3362 6.3362 6.3389 6.3389 6.4489 6.4489 6.4544 6.4544 6.8422 6.8422 6.8556 6.8556 10.5295 10.5295 10.5472 10.5472 10.8962 10.8962 10.8971 10.8971 11.1269 11.1269 11.1427 11.1427 k = 0.5000-0.0000 0.1324 ( 5848 PWs) bands (ev): -10.2636 -10.2636 -10.2630 -10.2630 -9.7500 -9.7500 -9.7424 -9.7424 -9.3186 -9.3186 -9.3046 -9.3046 -8.9868 -8.9868 -8.9820 -8.9820 2.4315 2.4315 2.4400 2.4400 2.8208 2.8208 2.8242 2.8242 2.9056 2.9056 2.9132 2.9132 3.1215 3.1215 3.1243 3.1243 3.6669 3.6669 3.6673 3.6673 3.9055 3.9055 3.9172 3.9172 4.5020 4.5020 4.5165 4.5165 5.1065 5.1065 5.1234 5.1234 5.8034 5.8034 5.8176 5.8176 6.3490 6.3490 6.3513 6.3513 6.4773 6.4773 6.4820 6.4820 6.8612 6.8612 6.8736 6.8736 10.5251 10.5251 10.5413 10.5413 10.9106 10.9106 10.9117 10.9117 11.1234 11.1234 11.1391 11.1391 k = 0.5000-0.0000 0.1159 ( 5856 PWs) bands (ev): -10.2688 -10.2688 -10.2683 -10.2683 -9.7434 -9.7434 -9.7364 -9.7364 -9.3218 -9.3218 -9.3092 -9.3092 -8.9827 -8.9827 -8.9785 -8.9785 2.4297 2.4297 2.4373 2.4373 2.8041 2.8041 2.8070 2.8070 2.8997 2.8997 2.9057 2.9057 3.1315 3.1315 3.1348 3.1348 3.6503 3.6503 3.6509 3.6509 3.9246 3.9246 3.9363 3.9363 4.4570 4.4570 4.4709 4.4709 5.1099 5.1099 5.1256 5.1256 5.8290 5.8290 5.8424 5.8424 6.3577 6.3577 6.3594 6.3594 6.5068 6.5068 6.5105 6.5105 6.8790 6.8790 6.8903 6.8903 10.5199 10.5199 10.5344 10.5344 10.9226 10.9226 10.9238 10.9238 11.1222 11.1222 11.1374 11.1374 k = 0.5000-0.0000 0.0993 ( 5850 PWs) bands (ev): -10.2733 -10.2733 -10.2729 -10.2729 -9.7374 -9.7374 -9.7312 -9.7312 -9.3244 -9.3244 -9.3134 -9.3134 -8.9791 -8.9791 -8.9755 -8.9755 2.4283 2.4283 2.4348 2.4348 2.7887 2.7887 2.7910 2.7910 2.8939 2.8939 2.8984 2.8984 3.1426 3.1426 3.1461 3.1461 3.6355 3.6355 3.6361 3.6361 3.9450 3.9450 3.9567 3.9567 4.4138 4.4138 4.4270 4.4270 5.1126 5.1126 5.1267 5.1267 5.8514 5.8514 5.8635 5.8635 6.3638 6.3638 6.3649 6.3649 6.5352 6.5352 6.5380 6.5380 6.8953 6.8953 6.9052 6.9052 10.5145 10.5145 10.5271 10.5271 10.9320 10.9320 10.9332 10.9332 11.1230 11.1230 11.1373 11.1373 k = 0.5000-0.0000 0.0828 ( 5848 PWs) bands (ev): -10.2771 -10.2771 -10.2768 -10.2768 -9.7323 -9.7323 -9.7269 -9.7269 -9.3266 -9.3266 -9.3171 -9.3171 -8.9760 -8.9760 -8.9729 -8.9729 2.4271 2.4271 2.4327 2.4327 2.7751 2.7751 2.7770 2.7770 2.8883 2.8883 2.8917 2.8917 3.1539 3.1539 3.1573 3.1573 3.6224 3.6224 3.6231 3.6231 3.9666 3.9666 3.9780 3.9780 4.3728 4.3728 4.3853 4.3853 5.1147 5.1147 5.1269 5.1269 5.8706 5.8706 5.8812 5.8812 6.3681 6.3681 6.3687 6.3687 6.5611 6.5611 6.5631 6.5631 6.9097 6.9097 6.9182 6.9182 10.5093 10.5093 10.5198 10.5198 10.9390 10.9390 10.9402 10.9402 11.1254 11.1254 11.1384 11.1384 k = 0.5000-0.0000 0.0662 ( 5850 PWs) bands (ev): -10.2803 -10.2803 -10.2800 -10.2800 -9.7279 -9.7279 -9.7234 -9.7234 -9.3281 -9.3281 -9.3204 -9.3204 -8.9733 -8.9733 -8.9709 -8.9709 2.4263 2.4263 2.4308 2.4308 2.7637 2.7637 2.7651 2.7651 2.8834 2.8834 2.8858 2.8858 3.1644 3.1644 3.1675 3.1675 3.6114 3.6114 3.6120 3.6120 3.9889 3.9889 3.9997 3.9997 4.3348 4.3348 4.3464 4.3464 5.1164 5.1164 5.1265 5.1265 5.8865 5.8865 5.8953 5.8953 6.3711 6.3711 6.3714 6.3714 6.5834 6.5834 6.5848 6.5848 6.9219 6.9219 6.9289 6.9289 10.5046 10.5046 10.5131 10.5131 10.9440 10.9440 10.9450 10.9450 11.1290 11.1290 11.1401 11.1401 k = 0.5000-0.0000 0.0497 ( 5842 PWs) bands (ev): -10.2827 -10.2827 -10.2825 -10.2825 -9.7243 -9.7243 -9.7209 -9.7209 -9.3291 -9.3291 -9.3232 -9.3232 -8.9712 -8.9712 -8.9694 -8.9694 2.4258 2.4258 2.4292 2.4292 2.7547 2.7547 2.7557 2.7557 2.8794 2.8794 2.8811 2.8811 3.1735 3.1735 3.1760 3.1760 3.6026 3.6026 3.6031 3.6031 4.0108 4.0108 4.0206 4.0206 4.3010 4.3010 4.3113 4.3113 5.1179 5.1179 5.1256 5.1256 5.8992 5.8992 5.9060 5.9060 6.3732 6.3732 6.3733 6.3733 6.6014 6.6014 6.6024 6.6024 6.9319 6.9319 6.9372 6.9372 10.5008 10.5008 10.5071 10.5071 10.9473 10.9473 10.9481 10.9481 11.1330 11.1330 11.1418 11.1418 k = 0.5000-0.0000 0.0331 ( 5850 PWs) bands (ev): -10.2845 -10.2845 -10.2843 -10.2843 -9.7215 -9.7215 -9.7192 -9.7192 -9.3295 -9.3295 -9.3255 -9.3255 -8.9696 -8.9696 -8.9684 -8.9684 2.4256 2.4256 2.4279 2.4279 2.7482 2.7482 2.7489 2.7489 2.8765 2.8765 2.8775 2.8775 3.1806 3.1806 3.1824 3.1824 3.5961 3.5961 3.5965 3.5965 4.0311 4.0311 4.0389 4.0389 4.2735 4.2735 4.2816 4.2816 5.1193 5.1193 5.1245 5.1245 5.9086 5.9086 5.9132 5.9132 6.3746 6.3746 6.3746 6.3746 6.6147 6.6147 6.6153 6.6153 6.9394 6.9394 6.9430 6.9430 10.4981 10.4981 10.5024 10.5024 10.9493 10.9493 10.9499 10.9499 11.1369 11.1369 11.1429 11.1429 k = 0.5000-0.0000 0.0166 ( 5856 PWs) bands (ev): -10.2855 -10.2855 -10.2854 -10.2854 -9.7196 -9.7196 -9.7184 -9.7184 -9.3293 -9.3293 -9.3274 -9.3274 -8.9685 -8.9685 -8.9679 -8.9679 2.4257 2.4257 2.4268 2.4268 2.7443 2.7443 2.7446 2.7446 2.8748 2.8748 2.8753 2.8753 3.1852 3.1852 3.1861 3.1861 3.5922 3.5922 3.5924 3.5924 4.0469 4.0469 4.0515 4.0515 4.2553 4.2553 4.2600 4.2600 5.1206 5.1206 5.1232 5.1232 5.9147 5.9147 5.9170 5.9170 6.3754 6.3754 6.3754 6.3754 6.6228 6.6228 6.6231 6.6231 6.9443 6.9443 6.9461 6.9461 10.4969 10.4969 10.4990 10.4990 10.9505 10.9505 10.9507 10.9507 11.1401 11.1401 11.1431 11.1431 k = 0.5000-0.0000-0.0000 ( 5858 PWs) bands (ev): -10.2858 -10.2858 -10.2858 -10.2858 -9.7186 -9.7186 -9.7186 -9.7186 -9.3286 -9.3286 -9.3286 -9.3286 -8.9679 -8.9679 -8.9679 -8.9679 2.4261 2.4261 2.4261 2.4261 2.7431 2.7431 2.7431 2.7431 2.8744 2.8744 2.8744 2.8744 3.1871 3.1871 3.1871 3.1871 3.5910 3.5910 3.5910 3.5910 4.0545 4.0545 4.0545 4.0545 4.2504 4.2504 4.2504 4.2504 5.1219 5.1219 5.1219 5.1219 5.9175 5.9175 5.9175 5.9175 6.3757 6.3757 6.3757 6.3757 6.6256 6.6256 6.6256 6.6256 6.9466 6.9466 6.9466 6.9466 10.4972 10.4972 10.4972 10.4972 10.9509 10.9509 10.9509 10.9509 11.1422 11.1422 11.1422 11.1422 k = 0.0000 0.0000 0.4965 ( 5838 PWs) bands (ev): -10.3170 -10.3170 -10.3170 -10.3170 -9.6601 -9.6601 -9.6601 -9.6601 -9.3825 -9.3825 -9.3825 -9.3825 -8.9336 -8.9336 -8.9336 -8.9336 2.4282 2.4282 2.4282 2.4282 2.6642 2.6642 2.6642 2.6642 2.7810 2.7810 2.7810 2.7810 3.3656 3.3656 3.3656 3.3656 3.5607 3.5607 3.5607 3.5607 4.1850 4.1850 4.1850 4.1850 4.5783 4.5783 4.5783 4.5783 4.9193 4.9193 4.9193 4.9193 5.4239 5.4239 5.4239 5.4239 6.4767 6.4767 6.4767 6.4767 6.5866 6.5866 6.5866 6.5866 7.1004 7.1004 7.1004 7.1004 10.7430 10.7430 10.7430 10.7430 10.9017 10.9017 10.9017 10.9017 11.1634 11.1634 11.1634 11.1634 k = 0.0167-0.0000 0.4965 ( 5834 PWs) bands (ev): -10.3167 -10.3167 -10.3165 -10.3165 -9.6607 -9.6607 -9.6607 -9.6607 -9.3822 -9.3822 -9.3820 -9.3820 -8.9339 -8.9339 -8.9338 -8.9338 2.4292 2.4292 2.4292 2.4292 2.6637 2.6637 2.6646 2.6646 2.7802 2.7802 2.7812 2.7812 3.3654 3.3654 3.3663 3.3663 3.5617 3.5617 3.5626 3.5626 4.1868 4.1868 4.1872 4.1872 4.5760 4.5760 4.5773 4.5773 4.9177 4.9177 4.9178 4.9178 5.4254 5.4254 5.4271 5.4271 6.4713 6.4713 6.4724 6.4724 6.5858 6.5858 6.5876 6.5876 7.1003 7.1003 7.1003 7.1003 10.7426 10.7426 10.7429 10.7429 10.8989 10.8989 10.9006 10.9006 11.1557 11.1557 11.1662 11.1663 k = 0.0333-0.0000 0.4965 ( 5834 PWs) bands (ev): -10.3156 -10.3156 -10.3153 -10.3153 -9.6625 -9.6625 -9.6624 -9.6624 -9.3811 -9.3811 -9.3807 -9.3807 -8.9349 -8.9349 -8.9346 -8.9346 2.4320 2.4320 2.4320 2.4320 2.6630 2.6630 2.6649 2.6649 2.7787 2.7787 2.7808 2.7808 3.3656 3.3656 3.3674 3.3674 3.5658 3.5658 3.5675 3.5675 4.1926 4.1926 4.1934 4.1934 4.5703 4.5703 4.5729 4.5729 4.9133 4.9133 4.9133 4.9133 5.4315 5.4315 5.4349 5.4349 6.4566 6.4566 6.4585 6.4585 6.5852 6.5852 6.5885 6.5885 7.1000 7.1000 7.1000 7.1000 10.7415 10.7415 10.7422 10.7422 10.8924 10.8924 10.8955 10.8955 11.1467 11.1467 11.1633 11.1633 k = 0.0500-0.0000 0.4965 ( 5840 PWs) bands (ev): -10.3137 -10.3137 -10.3133 -10.3133 -9.6655 -9.6655 -9.6653 -9.6653 -9.3793 -9.3793 -9.3787 -9.3787 -8.9364 -8.9364 -8.9360 -8.9360 2.4366 2.4366 2.4367 2.4367 2.6622 2.6622 2.6650 2.6650 2.7768 2.7768 2.7799 2.7799 3.3664 3.3664 3.3691 3.3691 3.5728 3.5728 3.5754 3.5754 4.2023 4.2023 4.2036 4.2036 4.5614 4.5614 4.5653 4.5653 4.9064 4.9064 4.9064 4.9064 5.4418 5.4418 5.4467 5.4467 6.4336 6.4336 6.4359 6.4359 6.5845 6.5845 6.5887 6.5887 7.0990 7.0990 7.0991 7.0991 10.7398 10.7398 10.7407 10.7407 10.8822 10.8822 10.8867 10.8867 11.1388 11.1388 11.1582 11.1582 k = 0.0667-0.0000 0.4965 ( 5834 PWs) bands (ev): -10.3111 -10.3111 -10.3105 -10.3105 -9.6696 -9.6696 -9.6693 -9.6693 -9.3768 -9.3768 -9.3760 -9.3760 -8.9384 -8.9384 -8.9379 -8.9379 2.4430 2.4430 2.4431 2.4431 2.6614 2.6614 2.6648 2.6648 2.7746 2.7746 2.7785 2.7785 3.3678 3.3678 3.3712 3.3712 3.5827 3.5827 3.5860 3.5860 4.2157 4.2157 4.2174 4.2174 4.5495 4.5495 4.5545 4.5545 4.8976 4.8976 4.8977 4.8977 5.4554 5.4554 5.4616 5.4616 6.4033 6.4033 6.4058 6.4058 6.5832 6.5832 6.5881 6.5881 7.0969 7.0969 7.0970 7.0970 10.7374 10.7374 10.7385 10.7385 10.8686 10.8686 10.8743 10.8743 11.1328 11.1328 11.1536 11.1536 k = 0.0833-0.0000 0.4965 ( 5826 PWs) bands (ev): -10.3076 -10.3076 -10.3069 -10.3069 -9.6747 -9.6747 -9.6744 -9.6744 -9.3735 -9.3735 -9.3725 -9.3725 -8.9410 -8.9410 -8.9404 -8.9404 2.4510 2.4510 2.4511 2.4511 2.6606 2.6606 2.6644 2.6644 2.7723 2.7723 2.7768 2.7768 3.3699 3.3699 3.3740 3.3740 3.5953 3.5953 3.5992 3.5992 4.2323 4.2323 4.2346 4.2346 4.5348 4.5348 4.5409 4.5409 4.8877 4.8877 4.8880 4.8880 5.4715 5.4715 5.4789 5.4789 6.3667 6.3667 6.3691 6.3691 6.5812 6.5812 6.5865 6.5865 7.0931 7.0931 7.0934 7.0934 10.7340 10.7340 10.7353 10.7353 10.8522 10.8522 10.8586 10.8586 11.1292 11.1292 11.1508 11.1508 k = 0.1000-0.0000 0.4965 ( 5824 PWs) bands (ev): -10.3035 -10.3035 -10.3025 -10.3025 -9.6809 -9.6809 -9.6806 -9.6806 -9.3696 -9.3696 -9.3684 -9.3684 -8.9442 -8.9442 -8.9435 -8.9435 2.4604 2.4604 2.4606 2.4606 2.6597 2.6597 2.6637 2.6637 2.7702 2.7702 2.7750 2.7750 3.3728 3.3728 3.3776 3.3776 3.6104 3.6104 3.6149 3.6149 4.2518 4.2518 4.2547 4.2547 4.5178 4.5178 4.5249 4.5249 4.8774 4.8774 4.8777 4.8777 5.4890 5.4890 5.4974 5.4974 6.3249 6.3249 6.3271 6.3271 6.5783 6.5783 6.5838 6.5838 7.0871 7.0871 7.0876 7.0876 10.7295 10.7295 10.7309 10.7309 10.8335 10.8335 10.8405 10.8405 11.1280 11.1280 11.1501 11.1501 k = 0.1167-0.0000 0.4965 ( 5824 PWs) bands (ev): -10.2985 -10.2985 -10.2975 -10.2975 -9.6881 -9.6881 -9.6877 -9.6877 -9.3651 -9.3651 -9.3637 -9.3637 -8.9479 -8.9479 -8.9471 -8.9471 2.4709 2.4709 2.4714 2.4714 2.6590 2.6590 2.6628 2.6628 2.7685 2.7685 2.7735 2.7735 3.3768 3.3768 3.3820 3.3820 3.6278 3.6278 3.6328 3.6328 4.2733 4.2733 4.2770 4.2770 4.4994 4.4994 4.5075 4.5075 4.8671 4.8671 4.8675 4.8675 5.5070 5.5070 5.5163 5.5163 6.2788 6.2788 6.2808 6.2808 6.5744 6.5744 6.5802 6.5802 7.0785 7.0785 7.0791 7.0791 10.7235 10.7235 10.7248 10.7248 10.8133 10.8133 10.8206 10.8206 11.1291 11.1291 11.1515 11.1515 k = 0.1333-0.0000 0.4965 ( 5822 PWs) bands (ev): -10.2928 -10.2928 -10.2916 -10.2916 -9.6963 -9.6963 -9.6957 -9.6957 -9.3599 -9.3599 -9.3583 -9.3583 -8.9522 -8.9522 -8.9512 -8.9512 2.4822 2.4822 2.4831 2.4831 2.6585 2.6585 2.6616 2.6616 2.7675 2.7675 2.7724 2.7724 3.3818 3.3818 3.3874 3.3874 3.6472 3.6472 3.6527 3.6527 4.2954 4.2954 4.3002 4.3002 4.4808 4.4808 4.4900 4.4900 4.8572 4.8572 4.8577 4.8577 5.5245 5.5245 5.5345 5.5345 6.2296 6.2296 6.2314 6.2314 6.5697 6.5697 6.5756 6.5756 7.0668 7.0668 7.0677 7.0677 10.7154 10.7154 10.7165 10.7165 10.7927 10.7927 10.8001 10.8001 11.1322 11.1322 11.1550 11.1550 k = 0.1500-0.0000 0.4965 ( 5818 PWs) bands (ev): -10.2864 -10.2864 -10.2851 -10.2851 -9.7053 -9.7053 -9.7047 -9.7047 -9.3543 -9.3543 -9.3524 -9.3524 -8.9570 -8.9570 -8.9559 -8.9559 2.4939 2.4939 2.4954 2.4954 2.6583 2.6583 2.6602 2.6602 2.7676 2.7676 2.7720 2.7720 3.3880 3.3880 3.3939 3.3939 3.6684 3.6684 3.6743 3.6743 4.3158 4.3158 4.3216 4.3216 4.4649 4.4649 4.4750 4.4750 4.8482 4.8482 4.8487 4.8487 5.5402 5.5402 5.5507 5.5507 6.1785 6.1785 6.1803 6.1803 6.5640 6.5640 6.5700 6.5700 7.0519 7.0519 7.0532 7.0532 10.7043 10.7043 10.7049 10.7049 10.7731 10.7731 10.7803 10.7803 11.1373 11.1373 11.1603 11.1603 k = 0.1667-0.0000 0.4965 ( 5822 PWs) bands (ev): -10.2793 -10.2793 -10.2778 -10.2778 -9.7151 -9.7151 -9.7144 -9.7144 -9.3481 -9.3481 -9.3460 -9.3460 -8.9623 -8.9623 -8.9612 -8.9612 2.5055 2.5055 2.5078 2.5078 2.6585 2.6585 2.6588 2.6588 2.7693 2.7693 2.7729 2.7729 3.3955 3.3955 3.4016 3.4016 3.6911 3.6911 3.6973 3.6973 4.3299 4.3299 4.3361 4.3361 4.4568 4.4568 4.4671 4.4671 4.8404 4.8404 4.8409 4.8409 5.5528 5.5528 5.5636 5.5636 6.1271 6.1271 6.1289 6.1289 6.5574 6.5574 6.5634 6.5634 7.0338 7.0338 7.0354 7.0354 10.6892 10.6892 10.6893 10.6893 10.7558 10.7558 10.7625 10.7625 11.1441 11.1441 11.1673 11.1673 k = 0.1833-0.0000 0.4965 ( 5824 PWs) bands (ev): -10.2715 -10.2715 -10.2699 -10.2699 -9.7257 -9.7257 -9.7250 -9.7250 -9.3414 -9.3414 -9.3391 -9.3391 -8.9681 -8.9681 -8.9669 -8.9669 2.5164 2.5164 2.5198 2.5198 2.6573 2.6573 2.6593 2.6593 2.7729 2.7729 2.7755 2.7755 3.4042 3.4042 3.4105 3.4105 3.7150 3.7150 3.7214 3.7214 4.3325 4.3325 4.3374 4.3374 4.4627 4.4627 4.4713 4.4713 4.8341 4.8341 4.8346 4.8346 5.5606 5.5606 5.5715 5.5715 6.0773 6.0773 6.0792 6.0792 6.5497 6.5497 6.5558 6.5558 7.0125 7.0125 7.0144 7.0144 10.6692 10.6692 10.6702 10.6702 10.7415 10.7415 10.7475 10.7475 11.1525 11.1525 11.1757 11.1757 k = 0.2000-0.0000 0.4965 ( 5818 PWs) bands (ev): -10.2630 -10.2630 -10.2613 -10.2613 -9.7371 -9.7371 -9.7362 -9.7362 -9.3343 -9.3343 -9.3317 -9.3317 -8.9744 -8.9744 -8.9732 -8.9732 2.5260 2.5260 2.5308 2.5308 2.6560 2.6560 2.6605 2.6605 2.7788 2.7788 2.7804 2.7804 3.4142 3.4142 3.4205 3.4205 3.7396 3.7396 3.7462 3.7462 4.3235 4.3235 4.3263 4.3263 4.4815 4.4815 4.4878 4.4878 4.8300 4.8300 4.8306 4.8306 5.5614 5.5614 5.5720 5.5720 6.0313 6.0313 6.0335 6.0335 6.5409 6.5409 6.5470 6.5470 6.9881 6.9881 6.9904 6.9904 10.6461 10.6461 10.6476 10.6476 10.7294 10.7294 10.7348 10.7348 11.1622 11.1622 11.1856 11.1856 k = 0.2167-0.0000 0.4965 ( 5816 PWs) bands (ev): -10.2538 -10.2538 -10.2520 -10.2520 -9.7491 -9.7491 -9.7481 -9.7481 -9.3267 -9.3267 -9.3239 -9.3239 -8.9812 -8.9812 -8.9799 -8.9799 2.5340 2.5340 2.5402 2.5402 2.6549 2.6549 2.6620 2.6620 2.7877 2.7877 2.7881 2.7881 3.4253 3.4253 3.4316 3.4316 3.7646 3.7646 3.7712 3.7712 4.3078 4.3078 4.3090 4.3090 4.5066 4.5066 4.5111 4.5111 4.8290 4.8290 4.8299 4.8299 5.5530 5.5530 5.5629 5.5629 5.9916 5.9916 5.9946 5.9946 6.5308 6.5308 6.5370 6.5370 6.9610 6.9610 6.9636 6.9636 10.6210 10.6210 10.6228 10.6228 10.7186 10.7186 10.7238 10.7238 11.1732 11.1732 11.1965 11.1965 k = 0.2333-0.0000 0.4965 ( 5814 PWs) bands (ev): -10.2441 -10.2441 -10.2420 -10.2420 -9.7617 -9.7617 -9.7607 -9.7607 -9.3187 -9.3187 -9.3157 -9.3157 -8.9884 -8.9884 -8.9871 -8.9871 2.5402 2.5402 2.5478 2.5478 2.6538 2.6538 2.6633 2.6633 2.7994 2.7994 2.7998 2.7998 3.4374 3.4374 3.4436 3.4436 3.7894 3.7894 3.7960 3.7960 4.2899 4.2899 4.2901 4.2901 4.5324 4.5324 4.5358 4.5358 4.8324 4.8324 4.8337 4.8337 5.5334 5.5334 5.5422 5.5422 5.9605 5.9605 5.9645 5.9645 6.5193 6.5193 6.5255 6.5255 6.9317 6.9317 6.9346 6.9346 10.5950 10.5950 10.5969 10.5969 10.7086 10.7086 10.7137 10.7137 11.1852 11.1852 11.2085 11.2085 k = 0.2500-0.0000 0.4965 ( 5822 PWs) bands (ev): -10.2337 -10.2337 -10.2315 -10.2315 -9.7749 -9.7749 -9.7738 -9.7738 -9.3104 -9.3104 -9.3071 -9.3071 -8.9961 -8.9961 -8.9947 -8.9947 2.5446 2.5446 2.5535 2.5535 2.6527 2.6527 2.6641 2.6641 2.8143 2.8143 2.8153 2.8153 3.4500 3.4500 3.4561 3.4561 3.8137 3.8137 3.8201 3.8201 4.2725 4.2725 4.2729 4.2729 4.5549 4.5549 4.5579 4.5579 4.8419 4.8419 4.8439 4.8439 5.5019 5.5019 5.5093 5.5093 5.9387 5.9387 5.9439 5.9439 6.5063 6.5063 6.5124 6.5124 6.9006 6.9006 6.9039 6.9039 10.5688 10.5688 10.5706 10.5706 10.6989 10.6989 10.7042 10.7042 11.1980 11.1980 11.2212 11.2212 k = 0.2667-0.0000 0.4965 ( 5820 PWs) bands (ev): -10.2227 -10.2227 -10.2204 -10.2204 -9.7886 -9.7886 -9.7874 -9.7874 -9.3018 -9.3018 -9.2981 -9.2981 -9.0041 -9.0041 -9.0028 -9.0028 2.5475 2.5475 2.5573 2.5573 2.6513 2.6513 2.6641 2.6641 2.8329 2.8329 2.8342 2.8342 3.4629 3.4629 3.4686 3.4686 3.8369 3.8369 3.8430 3.8430 4.2580 4.2580 4.2588 4.2588 4.5715 4.5715 4.5745 4.5745 4.8588 4.8588 4.8617 4.8617 5.4598 5.4598 5.4658 5.4658 5.9255 5.9255 5.9318 5.9318 6.4913 6.4913 6.4975 6.4975 6.8685 6.8685 6.8721 6.8721 10.5429 10.5429 10.5444 10.5444 10.6896 10.6896 10.6950 10.6950 11.2116 11.2116 11.2345 11.2345 k = 0.2833-0.0000 0.4965 ( 5822 PWs) bands (ev): -10.2111 -10.2111 -10.2087 -10.2087 -9.8027 -9.8027 -9.8015 -9.8015 -9.2928 -9.2928 -9.2888 -9.2888 -9.0126 -9.0126 -9.0113 -9.0113 2.5493 2.5493 2.5597 2.5597 2.6495 2.6495 2.6633 2.6633 2.8549 2.8549 2.8563 2.8563 3.4752 3.4752 3.4805 3.4805 3.8587 3.8587 3.8642 3.8642 4.2482 4.2482 4.2493 4.2493 4.5808 4.5808 4.5839 4.5839 4.8836 4.8836 4.8876 4.8876 5.4097 5.4097 5.4142 5.4142 5.9187 5.9187 5.9258 5.9258 6.4742 6.4742 6.4804 6.4804 6.8362 6.8362 6.8400 6.8400 10.5177 10.5177 10.5188 10.5188 10.6804 10.6804 10.6861 10.6861 11.2256 11.2256 11.2482 11.2482 k = 0.3000-0.0000 0.4965 ( 5818 PWs) bands (ev): -10.1990 -10.1990 -10.1965 -10.1965 -9.8173 -9.8173 -9.8161 -9.8161 -9.2835 -9.2835 -9.2792 -9.2792 -9.0214 -9.0214 -9.0202 -9.0202 2.5501 2.5501 2.5611 2.5611 2.6473 2.6473 2.6616 2.6616 2.8797 2.8797 2.8811 2.8811 3.4860 3.4860 3.4910 3.4910 3.8792 3.8792 3.8838 3.8838 4.2440 4.2440 4.2454 4.2454 4.5827 4.5827 4.5861 4.5861 4.9152 4.9152 4.9204 4.9204 5.3546 5.3546 5.3579 5.3579 5.9158 5.9158 5.9234 5.9234 6.4547 6.4547 6.4608 6.4608 6.8045 6.8045 6.8086 6.8086 10.4934 10.4934 10.4941 10.4941 10.6715 10.6715 10.6775 10.6775 11.2399 11.2399 11.2622 11.2622 k = 0.3167-0.0000 0.4965 ( 5818 PWs) bands (ev): -10.1865 -10.1865 -10.1839 -10.1839 -9.8322 -9.8322 -9.8309 -9.8309 -9.2739 -9.2739 -9.2693 -9.2693 -9.0305 -9.0305 -9.0294 -9.0294 2.5505 2.5505 2.5617 2.5617 2.6446 2.6446 2.6592 2.6592 2.9069 2.9069 2.9083 2.9083 3.4945 3.4945 3.4989 3.4989 3.8986 3.8986 3.9021 3.9021 4.2463 4.2463 4.2480 4.2480 4.5783 4.5783 4.5819 4.5819 4.9507 4.9507 4.9572 4.9572 5.2984 5.2984 5.3004 5.3004 5.9146 5.9146 5.9224 5.9224 6.4326 6.4326 6.4386 6.4386 6.7743 6.7743 6.7786 6.7786 10.4703 10.4703 10.4705 10.4705 10.6630 10.6630 10.6693 10.6693 11.2543 11.2543 11.2762 11.2762 k = 0.3333-0.0000 0.4965 ( 5826 PWs) bands (ev): -10.1735 -10.1735 -10.1707 -10.1707 -9.8475 -9.8475 -9.8462 -9.8462 -9.2641 -9.2641 -9.2592 -9.2592 -9.0399 -9.0399 -9.0390 -9.0390 2.5505 2.5505 2.5620 2.5620 2.6414 2.6414 2.6562 2.6562 2.9360 2.9360 2.9373 2.9373 3.4995 3.4995 3.5033 3.5033 3.9181 3.9181 3.9204 3.9204 4.2549 4.2549 4.2570 4.2570 4.5687 4.5687 4.5725 4.5725 4.9846 4.9846 4.9926 4.9926 5.2466 5.2466 5.2472 5.2472 5.9134 5.9134 5.9210 5.9210 6.4080 6.4080 6.4139 6.4139 6.7465 6.7465 6.7509 6.7509 10.4484 10.4484 10.4486 10.4486 10.6549 10.6549 10.6615 10.6615 11.2685 11.2685 11.2900 11.2900 k = 0.3500-0.0000 0.4965 ( 5828 PWs) bands (ev): -10.1600 -10.1600 -10.1572 -10.1572 -9.8629 -9.8629 -9.8616 -9.8616 -9.2542 -9.2542 -9.2488 -9.2488 -9.0496 -9.0496 -9.0489 -9.0489 2.5505 2.5505 2.5621 2.5621 2.6380 2.6380 2.6529 2.6529 2.9665 2.9665 2.9678 2.9678 3.5000 3.5000 3.5033 3.5033 3.9389 3.9389 3.9400 3.9400 4.2696 4.2696 4.2719 4.2719 4.5549 4.5549 4.5589 4.5589 5.0058 5.0058 5.0146 5.0146 5.2103 5.2103 5.2103 5.2103 5.9107 5.9107 5.9178 5.9178 6.3812 6.3812 6.3870 6.3870 6.7216 6.7216 6.7260 6.7260 10.4278 10.4278 10.4284 10.4284 10.6473 10.6473 10.6542 10.6542 11.2825 11.2825 11.3035 11.3035 k = 0.3667-0.0000 0.4965 ( 5832 PWs) bands (ev): -10.1463 -10.1463 -10.1433 -10.1433 -9.8786 -9.8786 -9.8773 -9.8773 -9.2440 -9.2440 -9.2382 -9.2382 -9.0594 -9.0594 -9.0590 -9.0590 2.5504 2.5504 2.5623 2.5623 2.6343 2.6343 2.6494 2.6494 2.9980 2.9980 2.9993 2.9993 3.4955 3.4955 3.4983 3.4983 3.9624 3.9624 3.9624 3.9624 4.2891 4.2891 4.2915 4.2915 4.5376 4.5376 4.5417 4.5417 4.9971 4.9971 5.0044 5.0044 5.2067 5.2067 5.2083 5.2083 5.9052 5.9052 5.9114 5.9114 6.3533 6.3533 6.3588 6.3588 6.6999 6.6999 6.7044 6.7044 10.4089 10.4089 10.4100 10.4100 10.6402 10.6402 10.6474 10.6474 11.2959 11.2959 11.3165 11.3165 k = 0.3833-0.0000 0.4965 ( 5838 PWs) bands (ev): -10.1322 -10.1322 -10.1291 -10.1291 -9.8943 -9.8943 -9.8930 -9.8930 -9.2338 -9.2338 -9.2274 -9.2274 -9.0695 -9.0695 -9.0694 -9.0694 2.5504 2.5504 2.5625 2.5625 2.6304 2.6304 2.6458 2.6458 3.0301 3.0301 3.0315 3.0315 3.4859 3.4859 3.4883 3.4883 3.9885 3.9885 3.9894 3.9894 4.3125 4.3125 4.3145 4.3145 4.5174 4.5174 4.5218 4.5218 4.9589 4.9589 4.9637 4.9637 5.2353 5.2353 5.2399 5.2399 5.8956 5.8956 5.9005 5.9005 6.3253 6.3253 6.3303 6.3303 6.6816 6.6816 6.6860 6.6860 10.3920 10.3920 10.3934 10.3934 10.6339 10.6339 10.6413 10.6413 11.3086 11.3086 11.3288 11.3288 k = 0.4000-0.0000 0.4965 ( 5836 PWs) bands (ev): -10.1180 -10.1180 -10.1146 -10.1146 -9.9100 -9.9100 -9.9088 -9.9088 -9.2235 -9.2235 -9.2164 -9.2164 -9.0801 -9.0801 -9.0795 -9.0795 2.5504 2.5504 2.5629 2.5629 2.6266 2.6266 2.6422 2.6422 3.0625 3.0625 3.0640 3.0640 3.4716 3.4716 3.4739 3.4739 4.0187 4.0187 4.0203 4.0203 4.3380 4.3380 4.3393 4.3393 4.4953 4.4953 4.5000 4.5000 4.9074 4.9074 4.9100 4.9100 5.2801 5.2801 5.2872 5.2872 5.8810 5.8810 5.8839 5.8839 6.2989 6.2989 6.3033 6.3033 6.6664 6.6664 6.6708 6.6708 10.3770 10.3770 10.3788 10.3788 10.6282 10.6282 10.6359 10.6359 11.3203 11.3203 11.3402 11.3402 k = 0.4167-0.0000 0.4965 ( 5834 PWs) bands (ev): -10.1037 -10.1037 -10.1001 -10.1001 -9.9256 -9.9256 -9.9245 -9.9245 -9.2133 -9.2133 -9.2053 -9.2053 -9.0909 -9.0909 -9.0896 -9.0896 2.5506 2.5506 2.5634 2.5634 2.6229 2.6229 2.6389 2.6389 3.0945 3.0945 3.0963 3.0963 3.4535 3.4535 3.4558 3.4558 4.0528 4.0528 4.0550 4.0550 4.3623 4.3623 4.3628 4.3628 4.4735 4.4735 4.4792 4.4792 4.8521 4.8521 4.8530 4.8530 5.3312 5.3312 5.3410 5.3410 5.8606 5.8606 5.8610 5.8610 6.2754 6.2754 6.2789 6.2789 6.6541 6.6541 6.6585 6.6585 10.3642 10.3642 10.3663 10.3663 10.6233 10.6233 10.6312 10.6312 11.3309 11.3309 11.3505 11.3505 k = 0.4333-0.0000 0.4965 ( 5842 PWs) bands (ev): -10.0895 -10.0895 -10.0857 -10.0857 -9.9408 -9.9408 -9.9399 -9.9399 -9.2033 -9.2033 -9.1942 -9.1942 -9.1018 -9.1018 -9.0995 -9.0995 2.5509 2.5509 2.5640 2.5640 2.6196 2.6196 2.6360 2.6360 3.1256 3.1256 3.1278 3.1278 3.4327 3.4327 3.4352 3.4352 4.0904 4.0904 4.0928 4.0928 4.3749 4.3749 4.3781 4.3781 4.4602 4.4602 4.4675 4.4675 4.7965 4.7965 4.7973 4.7973 5.3844 5.3844 5.3972 5.3972 5.8314 5.8314 5.8345 5.8345 6.2559 6.2559 6.2586 6.2586 6.6445 6.6445 6.6488 6.6488 10.3536 10.3536 10.3559 10.3559 10.6193 10.6193 10.6273 10.6273 11.3401 11.3401 11.3596 11.3596 k = 0.4500-0.0000 0.4965 ( 5838 PWs) bands (ev): -10.0759 -10.0759 -10.0717 -10.0717 -9.9552 -9.9552 -9.9547 -9.9547 -9.1938 -9.1938 -9.1830 -9.1830 -9.1128 -9.1128 -9.1089 -9.1089 2.5511 2.5511 2.5647 2.5647 2.6167 2.6167 2.6336 2.6336 3.1548 3.1548 3.1574 3.1574 3.4108 3.4108 3.4137 3.4137 4.1306 4.1306 4.1329 4.1329 4.3648 4.3648 4.3690 4.3690 4.4700 4.4700 4.4767 4.4767 4.7425 4.7425 4.7452 4.7452 5.4368 5.4368 5.4536 5.4536 5.7959 5.7959 5.8036 5.8036 6.2410 6.2410 6.2428 6.2428 6.6373 6.6373 6.6415 6.6415 10.3452 10.3452 10.3478 10.3478 10.6161 10.6161 10.6243 10.6243 11.3476 11.3476 11.3671 11.3671 k = 0.4667-0.0000 0.4965 ( 5838 PWs) bands (ev): -10.0636 -10.0636 -10.0589 -10.0589 -9.9681 -9.9681 -9.9681 -9.9681 -9.1854 -9.1854 -9.1720 -9.1720 -9.1237 -9.1237 -9.1172 -9.1172 2.5514 2.5514 2.5653 2.5653 2.6145 2.6145 2.6317 2.6317 3.1801 3.1801 3.1835 3.1835 3.3900 3.3900 3.3935 3.3935 4.1723 4.1723 4.1742 4.1742 4.3368 4.3368 4.3412 4.3412 4.4968 4.4968 4.5013 4.5013 4.6929 4.6929 4.6976 4.6976 5.4850 5.4850 5.5078 5.5078 5.7565 5.7565 5.7707 5.7707 6.2306 6.2306 6.2317 6.2317 6.6323 6.6323 6.6365 6.6365 10.3392 10.3392 10.3420 10.3420 10.6137 10.6137 10.6221 10.6221 11.3532 11.3532 11.3727 11.3727 k = 0.4833-0.0000 0.4965 ( 5840 PWs) bands (ev): -10.0542 -10.0542 -10.0489 -10.0489 -9.9784 -9.9784 -9.9779 -9.9779 -9.1791 -9.1791 -9.1616 -9.1616 -9.1340 -9.1340 -9.1235 -9.1235 2.5515 2.5515 2.5658 2.5658 2.6131 2.6131 2.6306 2.6306 3.1985 3.1985 3.2026 3.2026 3.3739 3.3739 3.3781 3.3781 4.2140 4.2140 4.2145 4.2145 4.3014 4.3014 4.3071 4.3071 4.5270 4.5270 4.5287 4.5287 4.6510 4.6510 4.6585 4.6585 5.5227 5.5227 5.5545 5.5545 5.7184 5.7184 5.7420 5.7420 6.2246 6.2246 6.2252 6.2252 6.6294 6.6294 6.6335 6.6335 10.3356 10.3356 10.3384 10.3384 10.6124 10.6124 10.6207 10.6207 11.3567 11.3567 11.3762 11.3762 k = 0.5000-0.0000 0.4965 ( 5840 PWs) bands (ev): -10.0505 -10.0505 -10.0448 -10.0448 -9.9826 -9.9826 -9.9818 -9.9818 -9.1766 -9.1766 -9.1555 -9.1555 -9.1402 -9.1402 -9.1259 -9.1259 2.5516 2.5516 2.5659 2.5659 2.6126 2.6126 2.6302 2.6302 3.2055 3.2055 3.2099 3.2099 3.3675 3.3675 3.3721 3.3721 4.2406 4.2406 4.2446 4.2446 4.2728 4.2728 4.2829 4.2829 4.5431 4.5431 4.5437 4.5437 4.6306 4.6306 4.6404 4.6404 5.5382 5.5382 5.5769 5.5769 5.6989 5.6989 5.7295 5.7295 6.2226 6.2226 6.2231 6.2231 6.6284 6.6284 6.6325 6.6325 10.3344 10.3344 10.3373 10.3373 10.6119 10.6119 10.6203 10.6203 11.3579 11.3579 11.3774 11.3774 Writing output data file ZrO2.save init_run : 0.18s CPU 0.28s WALL ( 1 calls) electrons : 533.24s CPU 539.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 533.23s CPU 539.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 279 calls) cegterg : 505.89s CPU 511.63s WALL ( 972 calls) Called by sum_band: Called by *egterg: h_psi : 242.74s CPU 246.33s WALL ( 17861 calls) s_psi : 12.41s CPU 12.25s WALL ( 17861 calls) g_psi : 0.75s CPU 0.76s WALL ( 16610 calls) cdiaghg : 204.49s CPU 207.09s WALL ( 16889 calls) cegterg:over : 24.50s CPU 24.59s WALL ( 16610 calls) cegterg:upda : 24.11s CPU 24.15s WALL ( 16610 calls) cegterg:last : 10.95s CPU 10.89s WALL ( 2127 calls) cdiaghg:chol : 11.84s CPU 11.95s WALL ( 16889 calls) cdiaghg:inve : 8.62s CPU 8.61s WALL ( 16889 calls) cdiaghg:para : 14.51s CPU 14.76s WALL ( 33778 calls) Called by h_psi: h_psi:vloc : 209.35s CPU 212.44s WALL ( 17861 calls) h_psi:vnl : 32.41s CPU 32.91s WALL ( 17861 calls) add_vuspsi : 14.38s CPU 14.44s WALL ( 17861 calls) General routines calbec : 18.00s CPU 18.42s WALL ( 17861 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 196.20s CPU 199.19s WALL ( 1851920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.40s WALL ( 558 calls) Parallel routines fft_scatter : 67.93s CPU 68.61s WALL ( 1851943 calls) PWSCF : 9m15.17s CPU 9m41.80s WALL This run was terminated on: 21:13: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=