Program PWSCF v.5.4.0 starts on 3Aug2017 at 18:54:47 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./CaxBH4x2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 140 79 22 4191 1777 266 Max 141 80 23 4194 1802 268 Sum 5051 2849 793 150915 64313 9629 bravais-lattice index = 14 lattice parameter (alat) = 14.7379 a.u. unit-cell volume = 1524.6389 (a.u.)^3 number of atoms/cell = 22 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.737926 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.719195 celldm(5)= -0.719195 celldm(6)= 0.438390 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.438390 0.898785 0.000000 ) a(3) = ( -0.719195 -0.449392 0.529910 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.487759 0.943556 ) b(2) = ( 0.000000 1.112614 0.943556 ) b(3) = ( 0.000000 0.000000 1.887112 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Ca 10.00 40.07800 Ca( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 257 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0000000 0.0241937), wk = 0.0038911 k( 3) = ( 0.0000000 0.0000000 0.0483875), wk = 0.0038911 k( 4) = ( 0.0000000 0.0000000 0.0725812), wk = 0.0038911 k( 5) = ( 0.0000000 0.0000000 0.0967750), wk = 0.0038911 k( 6) = ( 0.0000000 0.0000000 0.1209687), wk = 0.0038911 k( 7) = ( 0.0000000 0.0000000 0.1451625), wk = 0.0038911 k( 8) = ( 0.0000000 0.0000000 0.1693562), wk = 0.0038911 k( 9) = ( 0.0000000 0.0000000 0.1935500), wk = 0.0038911 k( 10) = ( 0.0000000 0.0000000 0.2177437), wk = 0.0038911 k( 11) = ( 0.0000000 0.0000000 0.2419375), wk = 0.0038911 k( 12) = ( 0.0000000 0.0000000 0.2661312), wk = 0.0038911 k( 13) = ( 0.0000000 0.0000000 0.2903249), wk = 0.0038911 k( 14) = ( 0.0000000 0.0000000 0.3145187), wk = 0.0038911 k( 15) = ( 0.0000000 0.0000000 0.3387124), wk = 0.0038911 k( 16) = ( 0.0000000 0.0000000 0.3629062), wk = 0.0038911 k( 17) = ( 0.0000000 0.0000000 0.3871000), wk = 0.0038911 k( 18) = ( 0.0000000 0.0000000 0.4112937), wk = 0.0038911 k( 19) = ( 0.0000000 0.0000000 0.4354874), wk = 0.0038911 k( 20) = ( 0.0000000 0.0000000 0.4596812), wk = 0.0038911 k( 21) = ( 0.0000000 0.0000000 0.4838749), wk = 0.0038911 k( 22) = ( 0.0000000 0.0000000 0.5080687), wk = 0.0038911 k( 23) = ( 0.0000000 0.0000000 0.5322624), wk = 0.0038911 k( 24) = ( 0.0000000 0.0000000 0.5564562), wk = 0.0038911 k( 25) = ( 0.0000000 0.0000000 0.5806499), wk = 0.0038911 k( 26) = ( 0.0000000 0.0000000 0.6048437), wk = 0.0038911 k( 27) = ( 0.0000000 0.0000000 0.6290374), wk = 0.0038911 k( 28) = ( 0.0000000 0.0000000 0.6532312), wk = 0.0038911 k( 29) = ( 0.0000000 0.0000000 0.6774249), wk = 0.0038911 k( 30) = ( 0.0000000 0.0000000 0.7016186), wk = 0.0038911 k( 31) = ( 0.0000000 0.0000000 0.7258124), wk = 0.0038911 k( 32) = ( 0.0000000 0.0000000 0.7500061), wk = 0.0038911 k( 33) = ( 0.0000000 0.0000000 0.7741999), wk = 0.0038911 k( 34) = ( 0.0000000 0.0000000 0.7983936), wk = 0.0038911 k( 35) = ( 0.0000000 0.0000000 0.8225874), wk = 0.0038911 k( 36) = ( 0.0000000 0.0000000 0.8467811), wk = 0.0038911 k( 37) = ( 0.0000000 0.0000000 0.8709749), wk = 0.0038911 k( 38) = ( 0.0000000 0.0000000 0.8951686), wk = 0.0038911 k( 39) = ( 0.0000000 0.0000000 0.9193624), wk = 0.0038911 k( 40) = ( 0.0000000 0.0000000 0.9435561), wk = 0.0038911 k( 41) = ( 0.0000000 0.0000000 0.9435561), wk = 0.0038911 k( 42) = ( -0.0122013 0.0195267 0.9435561), wk = 0.0038911 k( 43) = ( -0.0244027 0.0390534 0.9435561), wk = 0.0038911 k( 44) = ( -0.0366040 0.0585801 0.9435561), wk = 0.0038911 k( 45) = ( -0.0488054 0.0781068 0.9435561), wk = 0.0038911 k( 46) = ( -0.0610067 0.0976335 0.9435561), wk = 0.0038911 k( 47) = ( -0.0732081 0.1171602 0.9435561), wk = 0.0038911 k( 48) = ( -0.0854094 0.1366869 0.9435561), wk = 0.0038911 k( 49) = ( -0.0976108 0.1562136 0.9435561), wk = 0.0038911 k( 50) = ( -0.0976108 0.1562136 0.9435561), wk = 0.0038911 k( 51) = ( -0.1067560 0.1708494 0.9262981), wk = 0.0038911 k( 52) = ( -0.1159012 0.1854851 0.9090400), wk = 0.0038911 k( 53) = ( -0.1250464 0.2001209 0.8917820), wk = 0.0038911 k( 54) = ( -0.1341916 0.2147566 0.8745240), wk = 0.0038911 k( 55) = ( -0.1433368 0.2293923 0.8572659), wk = 0.0038911 k( 56) = ( -0.1524820 0.2440281 0.8400079), wk = 0.0038911 k( 57) = ( -0.1616273 0.2586638 0.8227498), wk = 0.0038911 k( 58) = ( -0.1707725 0.2732996 0.8054918), wk = 0.0038911 k( 59) = ( -0.1799177 0.2879353 0.7882338), wk = 0.0038911 k( 60) = ( -0.1890629 0.3025711 0.7709757), wk = 0.0038911 k( 61) = ( -0.1982081 0.3172068 0.7537177), wk = 0.0038911 k( 62) = ( -0.2073533 0.3318425 0.7364597), wk = 0.0038911 k( 63) = ( -0.2164985 0.3464783 0.7192016), wk = 0.0038911 k( 64) = ( -0.2256437 0.3611140 0.7019436), wk = 0.0038911 k( 65) = ( -0.2347889 0.3757498 0.6846856), wk = 0.0038911 k( 66) = ( -0.2439341 0.3903855 0.6674275), wk = 0.0038911 k( 67) = ( -0.2530793 0.4050212 0.6501695), wk = 0.0038911 k( 68) = ( -0.2622246 0.4196570 0.6329115), wk = 0.0038911 k( 69) = ( -0.2713698 0.4342927 0.6156534), wk = 0.0038911 k( 70) = ( -0.2805150 0.4489285 0.5983954), wk = 0.0038911 k( 71) = ( -0.2896602 0.4635642 0.5811373), wk = 0.0038911 k( 72) = ( -0.2988054 0.4782000 0.5638793), wk = 0.0038911 k( 73) = ( -0.2988054 0.4782000 0.5638793), wk = 0.0038911 k( 74) = ( -0.2897507 0.4637091 0.5467920), wk = 0.0038911 k( 75) = ( -0.2806960 0.4492181 0.5297048), wk = 0.0038911 k( 76) = ( -0.2716413 0.4347272 0.5126175), wk = 0.0038911 k( 77) = ( -0.2625866 0.4202363 0.4955303), wk = 0.0038911 k( 78) = ( -0.2535319 0.4057454 0.4784431), wk = 0.0038911 k( 79) = ( -0.2444771 0.3912545 0.4613558), wk = 0.0038911 k( 80) = ( -0.2354224 0.3767636 0.4442685), wk = 0.0038911 k( 81) = ( -0.2263677 0.3622727 0.4271813), wk = 0.0038911 k( 82) = ( -0.2173130 0.3477818 0.4100940), wk = 0.0038911 k( 83) = ( -0.2082583 0.3332909 0.3930068), wk = 0.0038911 k( 84) = ( -0.1992036 0.3188000 0.3759195), wk = 0.0038911 k( 85) = ( -0.1901489 0.3043091 0.3588323), wk = 0.0038911 k( 86) = ( -0.1810942 0.2898182 0.3417450), wk = 0.0038911 k( 87) = ( -0.1720395 0.2753273 0.3246578), wk = 0.0038911 k( 88) = ( -0.1629848 0.2608363 0.3075705), wk = 0.0038911 k( 89) = ( -0.1539301 0.2463454 0.2904833), wk = 0.0038911 k( 90) = ( -0.1448753 0.2318545 0.2733960), wk = 0.0038911 k( 91) = ( -0.1358206 0.2173636 0.2563088), wk = 0.0038911 k( 92) = ( -0.1267659 0.2028727 0.2392215), wk = 0.0038911 k( 93) = ( -0.1177112 0.1883818 0.2221343), wk = 0.0038911 k( 94) = ( -0.1086565 0.1738909 0.2050470), wk = 0.0038911 k( 95) = ( -0.0996018 0.1594000 0.1879598), wk = 0.0038911 k( 96) = ( -0.0905471 0.1449091 0.1708725), wk = 0.0038911 k( 97) = ( -0.0814924 0.1304182 0.1537853), wk = 0.0038911 k( 98) = ( -0.0724377 0.1159273 0.1366980), wk = 0.0038911 k( 99) = ( -0.0633830 0.1014364 0.1196108), wk = 0.0038911 k( 100) = ( -0.0543283 0.0869454 0.1025235), wk = 0.0038911 k( 101) = ( -0.0452735 0.0724545 0.0854363), wk = 0.0038911 k( 102) = ( -0.0362188 0.0579636 0.0683490), wk = 0.0038911 k( 103) = ( -0.0271641 0.0434727 0.0512618), wk = 0.0038911 k( 104) = ( -0.0181094 0.0289818 0.0341745), wk = 0.0038911 k( 105) = ( -0.0090547 0.0144909 0.0170873), wk = 0.0038911 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 108) = ( 0.0208333 0.0130178 0.0000000), wk = 0.0038911 k( 109) = ( 0.0416667 0.0260356 0.0000000), wk = 0.0038911 k( 110) = ( 0.0625000 0.0390534 0.0000000), wk = 0.0038911 k( 111) = ( 0.0833333 0.0520712 0.0000000), wk = 0.0038911 k( 112) = ( 0.1041667 0.0650890 0.0000000), wk = 0.0038911 k( 113) = ( 0.1250000 0.0781068 0.0000000), wk = 0.0038911 k( 114) = ( 0.1458333 0.0911246 0.0000000), wk = 0.0038911 k( 115) = ( 0.1666667 0.1041424 0.0000000), wk = 0.0038911 k( 116) = ( 0.1875000 0.1171602 0.0000000), wk = 0.0038911 k( 117) = ( 0.2083333 0.1301780 0.0000000), wk = 0.0038911 k( 118) = ( 0.2291667 0.1431958 0.0000000), wk = 0.0038911 k( 119) = ( 0.2500000 0.1562136 0.0000000), wk = 0.0038911 k( 120) = ( 0.2708333 0.1692314 0.0000000), wk = 0.0038911 k( 121) = ( 0.2916667 0.1822492 0.0000000), wk = 0.0038911 k( 122) = ( 0.3125000 0.1952670 0.0000000), wk = 0.0038911 k( 123) = ( 0.3333333 0.2082848 0.0000000), wk = 0.0038911 k( 124) = ( 0.3541667 0.2213026 0.0000000), wk = 0.0038911 k( 125) = ( 0.3750000 0.2343204 0.0000000), wk = 0.0038911 k( 126) = ( 0.3958333 0.2473382 0.0000000), wk = 0.0038911 k( 127) = ( 0.4166667 0.2603560 0.0000000), wk = 0.0038911 k( 128) = ( 0.4375000 0.2733738 0.0000000), wk = 0.0038911 k( 129) = ( 0.4583333 0.2863916 0.0000000), wk = 0.0038911 k( 130) = ( 0.4791667 0.2994094 0.0000000), wk = 0.0038911 k( 131) = ( 0.5000000 0.3124272 0.0000000), wk = 0.0038911 k( 132) = ( 0.5000000 0.3124272 0.0000000), wk = 0.0038911 k( 133) = ( 0.4908548 0.3270630 0.0172580), wk = 0.0038911 k( 134) = ( 0.4817096 0.3416987 0.0345161), wk = 0.0038911 k( 135) = ( 0.4725644 0.3563345 0.0517741), wk = 0.0038911 k( 136) = ( 0.4634192 0.3709702 0.0690321), wk = 0.0038911 k( 137) = ( 0.4542739 0.3856060 0.0862902), wk = 0.0038911 k( 138) = ( 0.4451287 0.4002417 0.1035482), wk = 0.0038911 k( 139) = ( 0.4359835 0.4148774 0.1208063), wk = 0.0038911 k( 140) = ( 0.4268383 0.4295132 0.1380643), wk = 0.0038911 k( 141) = ( 0.4176931 0.4441489 0.1553223), wk = 0.0038911 k( 142) = ( 0.4085479 0.4587847 0.1725804), wk = 0.0038911 k( 143) = ( 0.3994027 0.4734204 0.1898384), wk = 0.0038911 k( 144) = ( 0.3902575 0.4880561 0.2070964), wk = 0.0038911 k( 145) = ( 0.3811123 0.5026919 0.2243545), wk = 0.0038911 k( 146) = ( 0.3719671 0.5173276 0.2416125), wk = 0.0038911 k( 147) = ( 0.3628219 0.5319634 0.2588705), wk = 0.0038911 k( 148) = ( 0.3536766 0.5465991 0.2761286), wk = 0.0038911 k( 149) = ( 0.3445314 0.5612349 0.2933866), wk = 0.0038911 k( 150) = ( 0.3353862 0.5758706 0.3106447), wk = 0.0038911 k( 151) = ( 0.3262410 0.5905064 0.3279027), wk = 0.0038911 k( 152) = ( 0.3170958 0.6051421 0.3451607), wk = 0.0038911 k( 153) = ( 0.3079506 0.6197778 0.3624188), wk = 0.0038911 k( 154) = ( 0.2988054 0.6344136 0.3796768), wk = 0.0038911 k( 155) = ( 0.2988054 0.6344136 0.3796768), wk = 0.0038911 k( 156) = ( 0.2758204 0.6284054 0.3867615), wk = 0.0038911 k( 157) = ( 0.2528353 0.6223971 0.3938462), wk = 0.0038911 k( 158) = ( 0.2298503 0.6163889 0.4009309), wk = 0.0038911 k( 159) = ( 0.2068653 0.6103807 0.4080157), wk = 0.0038911 k( 160) = ( 0.1838802 0.6043725 0.4151004), wk = 0.0038911 k( 161) = ( 0.1608952 0.5983643 0.4221851), wk = 0.0038911 k( 162) = ( 0.1379102 0.5923561 0.4292698), wk = 0.0038911 k( 163) = ( 0.1149252 0.5863479 0.4363545), wk = 0.0038911 k( 164) = ( 0.0919401 0.5803396 0.4434392), wk = 0.0038911 k( 165) = ( 0.0689551 0.5743314 0.4505239), wk = 0.0038911 k( 166) = ( 0.0459701 0.5683232 0.4576086), wk = 0.0038911 k( 167) = ( 0.0229850 0.5623150 0.4646933), wk = 0.0038911 k( 168) = ( 0.0000000 0.5563068 0.4717781), wk = 0.0038911 k( 169) = ( 0.0000000 0.5563068 0.4717781), wk = 0.0038911 k( 170) = ( 0.0092593 0.5414885 0.4892513), wk = 0.0038911 k( 171) = ( 0.0185185 0.5266702 0.5067246), wk = 0.0038911 k( 172) = ( 0.0277778 0.5118520 0.5241978), wk = 0.0038911 k( 173) = ( 0.0370370 0.4970337 0.5416711), wk = 0.0038911 k( 174) = ( 0.0462963 0.4822154 0.5591444), wk = 0.0038911 k( 175) = ( 0.0555556 0.4673972 0.5766176), wk = 0.0038911 k( 176) = ( 0.0648148 0.4525789 0.5940909), wk = 0.0038911 k( 177) = ( 0.0740741 0.4377607 0.6115641), wk = 0.0038911 k( 178) = ( 0.0833333 0.4229424 0.6290374), wk = 0.0038911 k( 179) = ( 0.0925926 0.4081241 0.6465107), wk = 0.0038911 k( 180) = ( 0.1018518 0.3933059 0.6639839), wk = 0.0038911 k( 181) = ( 0.1111111 0.3784876 0.6814572), wk = 0.0038911 k( 182) = ( 0.1203704 0.3636693 0.6989304), wk = 0.0038911 k( 183) = ( 0.1296296 0.3488511 0.7164037), wk = 0.0038911 k( 184) = ( 0.1388889 0.3340328 0.7338770), wk = 0.0038911 k( 185) = ( 0.1481482 0.3192145 0.7513502), wk = 0.0038911 k( 186) = ( 0.1574074 0.3043963 0.7688235), wk = 0.0038911 k( 187) = ( 0.1666667 0.2895780 0.7862968), wk = 0.0038911 k( 188) = ( 0.1759259 0.2747597 0.8037700), wk = 0.0038911 k( 189) = ( 0.1851852 0.2599415 0.8212433), wk = 0.0038911 k( 190) = ( 0.1944444 0.2451232 0.8387165), wk = 0.0038911 k( 191) = ( 0.2037037 0.2303050 0.8561898), wk = 0.0038911 k( 192) = ( 0.2129630 0.2154867 0.8736631), wk = 0.0038911 k( 193) = ( 0.2222222 0.2006684 0.8911363), wk = 0.0038911 k( 194) = ( 0.2314815 0.1858502 0.9086096), wk = 0.0038911 k( 195) = ( 0.2407407 0.1710319 0.9260828), wk = 0.0038911 k( 196) = ( 0.2500000 0.1562136 0.9435561), wk = 0.0038911 k( 197) = ( 0.2500000 0.1562136 0.9435561), wk = 0.0038911 k( 198) = ( 0.2666667 0.1666279 0.9312760), wk = 0.0038911 k( 199) = ( 0.2833333 0.1770421 0.9189958), wk = 0.0038911 k( 200) = ( 0.3000000 0.1874563 0.9067156), wk = 0.0038911 k( 201) = ( 0.3166667 0.1978706 0.8944354), wk = 0.0038911 k( 202) = ( 0.3333333 0.2082848 0.8821553), wk = 0.0038911 k( 203) = ( 0.3500000 0.2186991 0.8698751), wk = 0.0038911 k( 204) = ( 0.3666667 0.2291133 0.8575950), wk = 0.0038911 k( 205) = ( 0.3833333 0.2395275 0.8453148), wk = 0.0038911 k( 206) = ( 0.4000000 0.2499418 0.8330346), wk = 0.0038911 k( 207) = ( 0.4166667 0.2603560 0.8207545), wk = 0.0038911 k( 208) = ( 0.4333333 0.2707703 0.8084743), wk = 0.0038911 k( 209) = ( 0.4500000 0.2811845 0.7961941), wk = 0.0038911 k( 210) = ( 0.4666667 0.2915988 0.7839139), wk = 0.0038911 k( 211) = ( 0.4833333 0.3020130 0.7716338), wk = 0.0038911 k( 212) = ( 0.5000000 0.3124272 0.7593536), wk = 0.0038911 k( 213) = ( 0.5000000 0.3124272 0.7593536), wk = 0.0038911 k( 214) = ( 0.5000000 0.3124272 0.7348583), wk = 0.0038911 k( 215) = ( 0.5000000 0.3124272 0.7103630), wk = 0.0038911 k( 216) = ( 0.5000000 0.3124272 0.6858678), wk = 0.0038911 k( 217) = ( 0.5000000 0.3124272 0.6613725), wk = 0.0038911 k( 218) = ( 0.5000000 0.3124272 0.6368772), wk = 0.0038911 k( 219) = ( 0.5000000 0.3124272 0.6123820), wk = 0.0038911 k( 220) = ( 0.5000000 0.3124272 0.5878867), wk = 0.0038911 k( 221) = ( 0.5000000 0.3124272 0.5633914), wk = 0.0038911 k( 222) = ( 0.5000000 0.3124272 0.5388961), wk = 0.0038911 k( 223) = ( 0.5000000 0.3124272 0.5144008), wk = 0.0038911 k( 224) = ( 0.5000000 0.3124272 0.4899056), wk = 0.0038911 k( 225) = ( 0.5000000 0.3124272 0.4654103), wk = 0.0038911 k( 226) = ( 0.5000000 0.3124272 0.4409150), wk = 0.0038911 k( 227) = ( 0.5000000 0.3124272 0.4164197), wk = 0.0038911 k( 228) = ( 0.5000000 0.3124272 0.3919244), wk = 0.0038911 k( 229) = ( 0.5000000 0.3124272 0.3674292), wk = 0.0038911 k( 230) = ( 0.5000000 0.3124272 0.3429339), wk = 0.0038911 k( 231) = ( 0.5000000 0.3124272 0.3184386), wk = 0.0038911 k( 232) = ( 0.5000000 0.3124272 0.2939433), wk = 0.0038911 k( 233) = ( 0.5000000 0.3124272 0.2694481), wk = 0.0038911 k( 234) = ( 0.5000000 0.3124272 0.2449528), wk = 0.0038911 k( 235) = ( 0.5000000 0.3124272 0.2204575), wk = 0.0038911 k( 236) = ( 0.5000000 0.3124272 0.1959622), wk = 0.0038911 k( 237) = ( 0.5000000 0.3124272 0.1714669), wk = 0.0038911 k( 238) = ( 0.5000000 0.3124272 0.1469717), wk = 0.0038911 k( 239) = ( 0.5000000 0.3124272 0.1224764), wk = 0.0038911 k( 240) = ( 0.5000000 0.3124272 0.0979811), wk = 0.0038911 k( 241) = ( 0.5000000 0.3124272 0.0734858), wk = 0.0038911 k( 242) = ( 0.5000000 0.3124272 0.0489905), wk = 0.0038911 k( 243) = ( 0.5000000 0.3124272 0.0244953), wk = 0.0038911 k( 244) = ( 0.5000000 0.3124272 0.0000000), wk = 0.0038911 k( 245) = ( 0.0000000 0.0000000 0.9435561), wk = 0.0038911 k( 246) = ( 0.0208333 0.0130178 0.9435561), wk = 0.0038911 k( 247) = ( 0.0416667 0.0260356 0.9435561), wk = 0.0038911 k( 248) = ( 0.0625000 0.0390534 0.9435561), wk = 0.0038911 k( 249) = ( 0.0833333 0.0520712 0.9435561), wk = 0.0038911 k( 250) = ( 0.1041667 0.0650890 0.9435561), wk = 0.0038911 k( 251) = ( 0.1250000 0.0781068 0.9435561), wk = 0.0038911 k( 252) = ( 0.1458333 0.0911246 0.9435561), wk = 0.0038911 k( 253) = ( 0.1666667 0.1041424 0.9435561), wk = 0.0038911 k( 254) = ( 0.1875000 0.1171602 0.9435561), wk = 0.0038911 k( 255) = ( 0.2083333 0.1301780 0.9435561), wk = 0.0038911 k( 256) = ( 0.2291667 0.1431958 0.9435561), wk = 0.0038911 k( 257) = ( 0.2500000 0.1562136 0.9435561), wk = 0.0038911 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0038911 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0038911 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0038911 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0038911 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0038911 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0038911 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0038911 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0038911 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0038911 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0038911 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0038911 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0038911 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038911 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0038911 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0038911 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0038911 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0038911 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0038911 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0038911 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0038911 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0038911 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0038911 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0038911 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0038911 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0038911 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038911 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0038911 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0038911 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0038911 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0038911 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0038911 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0038911 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0038911 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0038911 k( 36) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0038911 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0038911 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0038911 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0038911 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 42) = ( -0.0122013 0.0122013 0.5000000), wk = 0.0038911 k( 43) = ( -0.0244027 0.0244027 0.5000000), wk = 0.0038911 k( 44) = ( -0.0366040 0.0366040 0.5000000), wk = 0.0038911 k( 45) = ( -0.0488054 0.0488054 0.5000000), wk = 0.0038911 k( 46) = ( -0.0610067 0.0610067 0.5000000), wk = 0.0038911 k( 47) = ( -0.0732081 0.0732081 0.5000000), wk = 0.0038911 k( 48) = ( -0.0854094 0.0854094 0.5000000), wk = 0.0038911 k( 49) = ( -0.0976108 0.0976108 0.5000000), wk = 0.0038911 k( 50) = ( -0.0976108 0.0976108 0.5000000), wk = 0.0038911 k( 51) = ( -0.1067560 0.1067560 0.4908548), wk = 0.0038911 k( 52) = ( -0.1159012 0.1159012 0.4817096), wk = 0.0038911 k( 53) = ( -0.1250464 0.1250464 0.4725644), wk = 0.0038911 k( 54) = ( -0.1341916 0.1341916 0.4634192), wk = 0.0038911 k( 55) = ( -0.1433368 0.1433368 0.4542740), wk = 0.0038911 k( 56) = ( -0.1524820 0.1524820 0.4451287), wk = 0.0038911 k( 57) = ( -0.1616273 0.1616273 0.4359835), wk = 0.0038911 k( 58) = ( -0.1707725 0.1707725 0.4268383), wk = 0.0038911 k( 59) = ( -0.1799177 0.1799177 0.4176931), wk = 0.0038911 k( 60) = ( -0.1890629 0.1890629 0.4085479), wk = 0.0038911 k( 61) = ( -0.1982081 0.1982081 0.3994027), wk = 0.0038911 k( 62) = ( -0.2073533 0.2073533 0.3902575), wk = 0.0038911 k( 63) = ( -0.2164985 0.2164985 0.3811123), wk = 0.0038911 k( 64) = ( -0.2256437 0.2256437 0.3719671), wk = 0.0038911 k( 65) = ( -0.2347889 0.2347889 0.3628219), wk = 0.0038911 k( 66) = ( -0.2439341 0.2439341 0.3536767), wk = 0.0038911 k( 67) = ( -0.2530793 0.2530793 0.3445314), wk = 0.0038911 k( 68) = ( -0.2622246 0.2622245 0.3353862), wk = 0.0038911 k( 69) = ( -0.2713698 0.2713698 0.3262410), wk = 0.0038911 k( 70) = ( -0.2805150 0.2805150 0.3170958), wk = 0.0038911 k( 71) = ( -0.2896602 0.2896602 0.3079506), wk = 0.0038911 k( 72) = ( -0.2988054 0.2988054 0.2988054), wk = 0.0038911 k( 73) = ( -0.2988054 0.2988054 0.2988054), wk = 0.0038911 k( 74) = ( -0.2897507 0.2897507 0.2897507), wk = 0.0038911 k( 75) = ( -0.2806960 0.2806960 0.2806960), wk = 0.0038911 k( 76) = ( -0.2716413 0.2716413 0.2716413), wk = 0.0038911 k( 77) = ( -0.2625866 0.2625866 0.2625866), wk = 0.0038911 k( 78) = ( -0.2535319 0.2535319 0.2535319), wk = 0.0038911 k( 79) = ( -0.2444771 0.2444771 0.2444771), wk = 0.0038911 k( 80) = ( -0.2354224 0.2354224 0.2354224), wk = 0.0038911 k( 81) = ( -0.2263677 0.2263677 0.2263677), wk = 0.0038911 k( 82) = ( -0.2173130 0.2173130 0.2173130), wk = 0.0038911 k( 83) = ( -0.2082583 0.2082583 0.2082583), wk = 0.0038911 k( 84) = ( -0.1992036 0.1992036 0.1992036), wk = 0.0038911 k( 85) = ( -0.1901489 0.1901489 0.1901489), wk = 0.0038911 k( 86) = ( -0.1810942 0.1810942 0.1810942), wk = 0.0038911 k( 87) = ( -0.1720395 0.1720395 0.1720395), wk = 0.0038911 k( 88) = ( -0.1629848 0.1629848 0.1629848), wk = 0.0038911 k( 89) = ( -0.1539301 0.1539300 0.1539301), wk = 0.0038911 k( 90) = ( -0.1448753 0.1448753 0.1448753), wk = 0.0038911 k( 91) = ( -0.1358206 0.1358206 0.1358206), wk = 0.0038911 k( 92) = ( -0.1267659 0.1267659 0.1267659), wk = 0.0038911 k( 93) = ( -0.1177112 0.1177112 0.1177112), wk = 0.0038911 k( 94) = ( -0.1086565 0.1086565 0.1086565), wk = 0.0038911 k( 95) = ( -0.0996018 0.0996018 0.0996018), wk = 0.0038911 k( 96) = ( -0.0905471 0.0905471 0.0905471), wk = 0.0038911 k( 97) = ( -0.0814924 0.0814924 0.0814924), wk = 0.0038911 k( 98) = ( -0.0724377 0.0724377 0.0724377), wk = 0.0038911 k( 99) = ( -0.0633830 0.0633830 0.0633830), wk = 0.0038911 k( 100) = ( -0.0543283 0.0543282 0.0543283), wk = 0.0038911 k( 101) = ( -0.0452735 0.0452735 0.0452735), wk = 0.0038911 k( 102) = ( -0.0362188 0.0362188 0.0362188), wk = 0.0038911 k( 103) = ( -0.0271641 0.0271641 0.0271641), wk = 0.0038911 k( 104) = ( -0.0181094 0.0181094 0.0181094), wk = 0.0038911 k( 105) = ( -0.0090547 0.0090547 0.0090547), wk = 0.0038911 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038911 k( 108) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0038911 k( 109) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0038911 k( 110) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0038911 k( 111) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0038911 k( 112) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0038911 k( 113) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0038911 k( 114) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0038911 k( 115) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0038911 k( 116) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0038911 k( 117) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0038911 k( 118) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0038911 k( 119) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0038911 k( 120) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0038911 k( 121) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0038911 k( 122) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0038911 k( 123) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0038911 k( 124) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0038911 k( 125) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0038911 k( 126) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0038911 k( 127) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0038911 k( 128) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0038911 k( 129) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0038911 k( 130) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0038911 k( 131) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038911 k( 132) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038911 k( 133) = ( 0.4908548 0.5091452 -0.4908548), wk = 0.0038911 k( 134) = ( 0.4817096 0.5182904 -0.4817096), wk = 0.0038911 k( 135) = ( 0.4725644 0.5274356 -0.4725644), wk = 0.0038911 k( 136) = ( 0.4634192 0.5365808 -0.4634192), wk = 0.0038911 k( 137) = ( 0.4542739 0.5457260 -0.4542739), wk = 0.0038911 k( 138) = ( 0.4451287 0.5548713 -0.4451287), wk = 0.0038911 k( 139) = ( 0.4359835 0.5640165 -0.4359835), wk = 0.0038911 k( 140) = ( 0.4268383 0.5731617 -0.4268383), wk = 0.0038911 k( 141) = ( 0.4176931 0.5823069 -0.4176931), wk = 0.0038911 k( 142) = ( 0.4085479 0.5914521 -0.4085479), wk = 0.0038911 k( 143) = ( 0.3994027 0.6005973 -0.3994027), wk = 0.0038911 k( 144) = ( 0.3902575 0.6097425 -0.3902575), wk = 0.0038911 k( 145) = ( 0.3811123 0.6188877 -0.3811123), wk = 0.0038911 k( 146) = ( 0.3719671 0.6280329 -0.3719671), wk = 0.0038911 k( 147) = ( 0.3628219 0.6371781 -0.3628219), wk = 0.0038911 k( 148) = ( 0.3536766 0.6463233 -0.3536766), wk = 0.0038911 k( 149) = ( 0.3445314 0.6554686 -0.3445314), wk = 0.0038911 k( 150) = ( 0.3353862 0.6646138 -0.3353862), wk = 0.0038911 k( 151) = ( 0.3262410 0.6737590 -0.3262410), wk = 0.0038911 k( 152) = ( 0.3170958 0.6829042 -0.3170958), wk = 0.0038911 k( 153) = ( 0.3079506 0.6920494 -0.3079506), wk = 0.0038911 k( 154) = ( 0.2988054 0.7011946 -0.2988054), wk = 0.0038911 k( 155) = ( 0.2988054 0.7011946 -0.2988054), wk = 0.0038911 k( 156) = ( 0.2758204 0.6857181 -0.2758204), wk = 0.0038911 k( 157) = ( 0.2528353 0.6702416 -0.2528353), wk = 0.0038911 k( 158) = ( 0.2298503 0.6547651 -0.2298503), wk = 0.0038911 k( 159) = ( 0.2068653 0.6392886 -0.2068653), wk = 0.0038911 k( 160) = ( 0.1838802 0.6238121 -0.1838802), wk = 0.0038911 k( 161) = ( 0.1608952 0.6083356 -0.1608952), wk = 0.0038911 k( 162) = ( 0.1379102 0.5928590 -0.1379102), wk = 0.0038911 k( 163) = ( 0.1149252 0.5773825 -0.1149251), wk = 0.0038911 k( 164) = ( 0.0919401 0.5619060 -0.0919401), wk = 0.0038911 k( 165) = ( 0.0689551 0.5464295 -0.0689551), wk = 0.0038911 k( 166) = ( 0.0459701 0.5309530 -0.0459701), wk = 0.0038911 k( 167) = ( 0.0229850 0.5154765 -0.0229850), wk = 0.0038911 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 169) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038911 k( 170) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0038911 k( 171) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0038911 k( 172) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0038911 k( 173) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0038911 k( 174) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0038911 k( 175) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0038911 k( 176) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0038911 k( 177) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0038911 k( 178) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0038911 k( 179) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0038911 k( 180) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0038911 k( 181) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0038911 k( 182) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0038911 k( 183) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0038911 k( 184) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0038911 k( 185) = ( 0.1481482 0.3518518 0.1481482), wk = 0.0038911 k( 186) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0038911 k( 187) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0038911 k( 188) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0038911 k( 189) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0038911 k( 190) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0038911 k( 191) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0038911 k( 192) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0038911 k( 193) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0038911 k( 194) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0038911 k( 195) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0038911 k( 196) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 197) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 k( 198) = ( 0.2666667 0.2666667 0.2268259), wk = 0.0038911 k( 199) = ( 0.2833333 0.2833333 0.2036519), wk = 0.0038911 k( 200) = ( 0.3000000 0.3000000 0.1804778), wk = 0.0038911 k( 201) = ( 0.3166667 0.3166667 0.1573038), wk = 0.0038911 k( 202) = ( 0.3333333 0.3333333 0.1341297), wk = 0.0038911 k( 203) = ( 0.3500000 0.3500000 0.1109557), wk = 0.0038911 k( 204) = ( 0.3666667 0.3666667 0.0877816), wk = 0.0038911 k( 205) = ( 0.3833333 0.3833333 0.0646076), wk = 0.0038911 k( 206) = ( 0.4000000 0.4000000 0.0414335), wk = 0.0038911 k( 207) = ( 0.4166667 0.4166667 0.0182595), wk = 0.0038911 k( 208) = ( 0.4333333 0.4333333 -0.0049146), wk = 0.0038911 k( 209) = ( 0.4500000 0.4500000 -0.0280886), wk = 0.0038911 k( 210) = ( 0.4666667 0.4666667 -0.0512627), wk = 0.0038911 k( 211) = ( 0.4833333 0.4833333 -0.0744367), wk = 0.0038911 k( 212) = ( 0.5000000 0.5000000 -0.0976108), wk = 0.0038911 k( 213) = ( 0.5000000 0.5000000 -0.0976108), wk = 0.0038911 k( 214) = ( 0.5000000 0.5000000 -0.1105911), wk = 0.0038911 k( 215) = ( 0.5000000 0.5000000 -0.1235714), wk = 0.0038911 k( 216) = ( 0.5000000 0.5000000 -0.1365517), wk = 0.0038911 k( 217) = ( 0.5000000 0.5000000 -0.1495320), wk = 0.0038911 k( 218) = ( 0.5000000 0.5000000 -0.1625123), wk = 0.0038911 k( 219) = ( 0.5000000 0.5000000 -0.1754926), wk = 0.0038911 k( 220) = ( 0.5000000 0.5000000 -0.1884729), wk = 0.0038911 k( 221) = ( 0.5000000 0.5000000 -0.2014532), wk = 0.0038911 k( 222) = ( 0.5000000 0.5000000 -0.2144335), wk = 0.0038911 k( 223) = ( 0.5000000 0.5000000 -0.2274137), wk = 0.0038911 k( 224) = ( 0.5000000 0.5000000 -0.2403940), wk = 0.0038911 k( 225) = ( 0.5000000 0.5000000 -0.2533744), wk = 0.0038911 k( 226) = ( 0.5000000 0.5000000 -0.2663547), wk = 0.0038911 k( 227) = ( 0.5000000 0.5000000 -0.2793349), wk = 0.0038911 k( 228) = ( 0.5000000 0.5000000 -0.2923152), wk = 0.0038911 k( 229) = ( 0.5000000 0.5000000 -0.3052955), wk = 0.0038911 k( 230) = ( 0.5000000 0.5000000 -0.3182758), wk = 0.0038911 k( 231) = ( 0.5000000 0.5000000 -0.3312561), wk = 0.0038911 k( 232) = ( 0.5000000 0.5000000 -0.3442364), wk = 0.0038911 k( 233) = ( 0.5000000 0.5000000 -0.3572167), wk = 0.0038911 k( 234) = ( 0.5000000 0.5000000 -0.3701970), wk = 0.0038911 k( 235) = ( 0.5000000 0.5000000 -0.3831773), wk = 0.0038911 k( 236) = ( 0.5000000 0.5000000 -0.3961576), wk = 0.0038911 k( 237) = ( 0.5000000 0.5000000 -0.4091379), wk = 0.0038911 k( 238) = ( 0.5000000 0.5000000 -0.4221182), wk = 0.0038911 k( 239) = ( 0.5000000 0.5000000 -0.4350985), wk = 0.0038911 k( 240) = ( 0.5000000 0.5000000 -0.4480788), wk = 0.0038911 k( 241) = ( 0.5000000 0.5000000 -0.4610591), wk = 0.0038911 k( 242) = ( 0.5000000 0.5000000 -0.4740394), wk = 0.0038911 k( 243) = ( 0.5000000 0.5000000 -0.4870197), wk = 0.0038911 k( 244) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038911 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038911 k( 246) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0038911 k( 247) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0038911 k( 248) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0038911 k( 249) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0038911 k( 250) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0038911 k( 251) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038911 k( 252) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0038911 k( 253) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0038911 k( 254) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0038911 k( 255) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0038911 k( 256) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0038911 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038911 Dense grid: 150915 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 64313 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 458, 58) NL pseudopotentials 0.55 Mb ( 229, 156) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.03 Mb ( 4192) G-vector shells 0.01 Mb ( 1840) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.62 Mb ( 458, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.28 Mb ( 156, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaxBH4x2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 5.1 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 7.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.8 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.7 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.2 secs Computing kpt #: 9 total cpu time spent up to now is 26.5 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.2 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.8 secs Computing kpt #: 12 total cpu time spent up to now is 34.0 secs Computing kpt #: 13 total cpu time spent up to now is 36.3 secs Computing kpt #: 14 total cpu time spent up to now is 38.1 secs Computing kpt #: 15 total cpu time spent up to now is 39.8 secs Computing kpt #: 16 total cpu time spent up to now is 41.5 secs Computing kpt #: 17 total cpu time spent up to now is 43.3 secs Computing kpt #: 18 total cpu time spent up to now is 45.0 secs Computing kpt #: 19 total cpu time spent up to now is 46.6 secs Computing kpt #: 20 total cpu time spent up to now is 48.2 secs Computing kpt #: 21 total cpu time spent up to now is 50.2 secs Computing kpt #: 22 total cpu time spent up to now is 51.8 secs Computing kpt #: 23 total cpu time spent up to now is 53.7 secs Computing kpt #: 24 total cpu time spent up to now is 55.4 secs Computing kpt #: 25 total cpu time spent up to now is 57.3 secs Computing kpt #: 26 total cpu time spent up to now is 59.1 secs Computing kpt #: 27 total cpu time spent up to now is 61.0 secs Computing kpt #: 28 total cpu time spent up to now is 62.8 secs Computing kpt #: 29 total cpu time spent up to now is 64.4 secs Computing kpt #: 30 total cpu time spent up to now is 66.2 secs Computing kpt #: 31 total cpu time spent up to now is 68.0 secs Computing kpt #: 32 total cpu time spent up to now is 69.8 secs Computing kpt #: 33 total cpu time spent up to now is 71.7 secs Computing kpt #: 34 total cpu time spent up to now is 73.5 secs Computing kpt #: 35 total cpu time spent up to now is 75.3 secs Computing kpt #: 36 total cpu time spent up to now is 76.8 secs Computing kpt #: 37 total cpu time spent up to now is 78.6 secs Computing kpt #: 38 total cpu time spent up to now is 80.7 secs Computing kpt #: 39 total cpu time spent up to now is 83.3 secs Computing kpt #: 40 total cpu time spent up to now is 84.8 secs Computing kpt #: 41 total cpu time spent up to now is 86.2 secs Computing kpt #: 42 total cpu time spent up to now is 87.7 secs Computing kpt #: 43 total cpu time spent up to now is 89.7 secs Computing kpt #: 44 total cpu time spent up to now is 92.0 secs Computing kpt #: 45 total cpu time spent up to now is 94.2 secs Computing kpt #: 46 total cpu time spent up to now is 96.2 secs Computing kpt #: 47 total cpu time spent up to now is 98.3 secs Computing kpt #: 48 total cpu time spent up to now is 100.4 secs Computing kpt #: 49 total cpu time spent up to now is 102.5 secs Computing kpt #: 50 total cpu time spent up to now is 104.6 secs Computing kpt #: 51 total cpu time spent up to now is 106.7 secs Computing kpt #: 52 total cpu time spent up to now is 108.7 secs Computing kpt #: 53 total cpu time spent up to now is 110.8 secs Computing kpt #: 54 total cpu time spent up to now is 113.4 secs Computing kpt #: 55 total cpu time spent up to now is 115.6 secs Computing kpt #: 56 total cpu time spent up to now is 117.8 secs Computing kpt #: 57 total cpu time spent up to now is 120.0 secs Computing kpt #: 58 total cpu time spent up to now is 122.5 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.1 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.8 secs Computing kpt #: 61 total cpu time spent up to now is 130.4 secs Computing kpt #: 62 total cpu time spent up to now is 132.9 secs Computing kpt #: 63 total cpu time spent up to now is 134.8 secs Computing kpt #: 64 total cpu time spent up to now is 136.6 secs Computing kpt #: 65 total cpu time spent up to now is 139.1 secs Computing kpt #: 66 total cpu time spent up to now is 141.0 secs Computing kpt #: 67 total cpu time spent up to now is 143.2 secs Computing kpt #: 68 total cpu time spent up to now is 145.1 secs Computing kpt #: 69 total cpu time spent up to now is 146.7 secs Computing kpt #: 70 total cpu time spent up to now is 148.1 secs Computing kpt #: 71 total cpu time spent up to now is 149.5 secs Computing kpt #: 72 total cpu time spent up to now is 150.9 secs Computing kpt #: 73 total cpu time spent up to now is 152.6 secs Computing kpt #: 74 total cpu time spent up to now is 154.1 secs Computing kpt #: 75 total cpu time spent up to now is 156.0 secs Computing kpt #: 76 total cpu time spent up to now is 157.9 secs Computing kpt #: 77 total cpu time spent up to now is 160.1 secs Computing kpt #: 78 total cpu time spent up to now is 162.1 secs Computing kpt #: 79 total cpu time spent up to now is 163.7 secs Computing kpt #: 80 total cpu time spent up to now is 165.1 secs Computing kpt #: 81 total cpu time spent up to now is 166.9 secs Computing kpt #: 82 total cpu time spent up to now is 168.7 secs Computing kpt #: 83 total cpu time spent up to now is 170.0 secs Computing kpt #: 84 total cpu time spent up to now is 171.3 secs Computing kpt #: 85 total cpu time spent up to now is 172.9 secs Computing kpt #: 86 total cpu time spent up to now is 174.2 secs Computing kpt #: 87 total cpu time spent up to now is 175.5 secs Computing kpt #: 88 total cpu time spent up to now is 177.2 secs Computing kpt #: 89 total cpu time spent up to now is 179.1 secs Computing kpt #: 90 total cpu time spent up to now is 180.7 secs Computing kpt #: 91 total cpu time spent up to now is 182.5 secs Computing kpt #: 92 total cpu time spent up to now is 184.3 secs Computing kpt #: 93 total cpu time spent up to now is 186.3 secs Computing kpt #: 94 total cpu time spent up to now is 188.1 secs Computing kpt #: 95 total cpu time spent up to now is 190.4 secs Computing kpt #: 96 total cpu time spent up to now is 192.0 secs Computing kpt #: 97 total cpu time spent up to now is 194.1 secs Computing kpt #: 98 total cpu time spent up to now is 196.5 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.7 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.0 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.7 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.2 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.3 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.0 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.9 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 230.4 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.0 secs Computing kpt #: 113 total cpu time spent up to now is 235.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.7 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.9 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.6 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.1 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.7 secs Computing kpt #: 121 total cpu time spent up to now is 255.6 secs Computing kpt #: 122 total cpu time spent up to now is 258.1 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.6 secs Computing kpt #: 124 total cpu time spent up to now is 262.7 secs Computing kpt #: 125 total cpu time spent up to now is 265.1 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.5 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.1 secs Computing kpt #: 129 total cpu time spent up to now is 275.2 secs Computing kpt #: 130 total cpu time spent up to now is 277.8 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.3 secs Computing kpt #: 133 total cpu time spent up to now is 285.8 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.4 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.7 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.5 secs Computing kpt #: 143 total cpu time spent up to now is 311.8 secs Computing kpt #: 144 total cpu time spent up to now is 314.2 secs Computing kpt #: 145 total cpu time spent up to now is 316.6 secs Computing kpt #: 146 total cpu time spent up to now is 318.9 secs Computing kpt #: 147 total cpu time spent up to now is 321.2 secs Computing kpt #: 148 total cpu time spent up to now is 323.1 secs Computing kpt #: 149 total cpu time spent up to now is 325.1 secs Computing kpt #: 150 total cpu time spent up to now is 327.0 secs Computing kpt #: 151 total cpu time spent up to now is 328.4 secs Computing kpt #: 152 total cpu time spent up to now is 329.9 secs Computing kpt #: 153 total cpu time spent up to now is 331.8 secs Computing kpt #: 154 total cpu time spent up to now is 333.7 secs Computing kpt #: 155 total cpu time spent up to now is 335.0 secs Computing kpt #: 156 total cpu time spent up to now is 336.7 secs Computing kpt #: 157 total cpu time spent up to now is 338.4 secs Computing kpt #: 158 total cpu time spent up to now is 340.4 secs Computing kpt #: 159 total cpu time spent up to now is 341.9 secs Computing kpt #: 160 total cpu time spent up to now is 343.5 secs Computing kpt #: 161 total cpu time spent up to now is 344.9 secs Computing kpt #: 162 total cpu time spent up to now is 346.4 secs Computing kpt #: 163 total cpu time spent up to now is 347.9 secs Computing kpt #: 164 total cpu time spent up to now is 349.3 secs Computing kpt #: 165 total cpu time spent up to now is 350.8 secs Computing kpt #: 166 total cpu time spent up to now is 352.1 secs Computing kpt #: 167 total cpu time spent up to now is 353.4 secs Computing kpt #: 168 total cpu time spent up to now is 355.1 secs Computing kpt #: 169 total cpu time spent up to now is 357.0 secs Computing kpt #: 170 total cpu time spent up to now is 358.9 secs Computing kpt #: 171 total cpu time spent up to now is 361.1 secs Computing kpt #: 172 total cpu time spent up to now is 362.9 secs Computing kpt #: 173 total cpu time spent up to now is 364.7 secs Computing kpt #: 174 total cpu time spent up to now is 366.4 secs Computing kpt #: 175 total cpu time spent up to now is 368.2 secs Computing kpt #: 176 total cpu time spent up to now is 369.6 secs Computing kpt #: 177 total cpu time spent up to now is 371.2 secs Computing kpt #: 178 total cpu time spent up to now is 372.8 secs Computing kpt #: 179 total cpu time spent up to now is 374.4 secs Computing kpt #: 180 total cpu time spent up to now is 376.1 secs Computing kpt #: 181 total cpu time spent up to now is 377.8 secs Computing kpt #: 182 total cpu time spent up to now is 379.6 secs Computing kpt #: 183 total cpu time spent up to now is 381.5 secs Computing kpt #: 184 total cpu time spent up to now is 383.3 secs Computing kpt #: 185 total cpu time spent up to now is 385.1 secs Computing kpt #: 186 total cpu time spent up to now is 386.7 secs Computing kpt #: 187 total cpu time spent up to now is 388.5 secs Computing kpt #: 188 total cpu time spent up to now is 390.3 secs Computing kpt #: 189 total cpu time spent up to now is 392.1 secs Computing kpt #: 190 total cpu time spent up to now is 394.1 secs Computing kpt #: 191 total cpu time spent up to now is 396.1 secs Computing kpt #: 192 total cpu time spent up to now is 397.9 secs Computing kpt #: 193 total cpu time spent up to now is 400.1 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 402.6 secs Computing kpt #: 195 total cpu time spent up to now is 404.8 secs Computing kpt #: 196 total cpu time spent up to now is 406.3 secs Computing kpt #: 197 total cpu time spent up to now is 407.8 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.5 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.1 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.4 secs Computing kpt #: 202 total cpu time spent up to now is 420.3 secs Computing kpt #: 203 total cpu time spent up to now is 422.2 secs Computing kpt #: 204 total cpu time spent up to now is 424.1 secs Computing kpt #: 205 total cpu time spent up to now is 426.0 secs Computing kpt #: 206 total cpu time spent up to now is 427.9 secs Computing kpt #: 207 total cpu time spent up to now is 429.7 secs Computing kpt #: 208 total cpu time spent up to now is 431.5 secs Computing kpt #: 209 total cpu time spent up to now is 433.3 secs Computing kpt #: 210 total cpu time spent up to now is 435.3 secs Computing kpt #: 211 total cpu time spent up to now is 437.2 secs Computing kpt #: 212 total cpu time spent up to now is 439.3 secs Computing kpt #: 213 total cpu time spent up to now is 441.3 secs Computing kpt #: 214 total cpu time spent up to now is 443.6 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.2 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.9 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.6 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 454.2 secs Computing kpt #: 219 total cpu time spent up to now is 456.2 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.7 secs Computing kpt #: 221 total cpu time spent up to now is 461.1 secs Computing kpt #: 222 total cpu time spent up to now is 463.0 secs Computing kpt #: 223 total cpu time spent up to now is 464.8 secs Computing kpt #: 224 total cpu time spent up to now is 466.6 secs Computing kpt #: 225 total cpu time spent up to now is 468.4 secs Computing kpt #: 226 total cpu time spent up to now is 470.2 secs Computing kpt #: 227 total cpu time spent up to now is 472.0 secs Computing kpt #: 228 total cpu time spent up to now is 474.0 secs Computing kpt #: 229 total cpu time spent up to now is 475.9 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.4 secs Computing kpt #: 231 total cpu time spent up to now is 480.3 secs Computing kpt #: 232 total cpu time spent up to now is 481.8 secs Computing kpt #: 233 total cpu time spent up to now is 483.5 secs Computing kpt #: 234 total cpu time spent up to now is 485.4 secs Computing kpt #: 235 total cpu time spent up to now is 487.8 secs Computing kpt #: 236 total cpu time spent up to now is 489.5 secs Computing kpt #: 237 total cpu time spent up to now is 491.9 secs Computing kpt #: 238 total cpu time spent up to now is 494.2 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.8 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.5 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 502.1 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.8 secs Computing kpt #: 243 total cpu time spent up to now is 507.2 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.8 secs Computing kpt #: 245 total cpu time spent up to now is 511.2 secs Computing kpt #: 246 total cpu time spent up to now is 512.6 secs Computing kpt #: 247 total cpu time spent up to now is 514.0 secs Computing kpt #: 248 total cpu time spent up to now is 515.5 secs Computing kpt #: 249 total cpu time spent up to now is 516.9 secs Computing kpt #: 250 total cpu time spent up to now is 518.4 secs Computing kpt #: 251 total cpu time spent up to now is 519.9 secs Computing kpt #: 252 total cpu time spent up to now is 521.4 secs Computing kpt #: 253 total cpu time spent up to now is 522.9 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 525.5 secs Computing kpt #: 255 total cpu time spent up to now is 527.0 secs Computing kpt #: 256 total cpu time spent up to now is 528.5 secs Computing kpt #: 257 total cpu time spent up to now is 530.6 secs ethr = 2.08E-08, avg # of iterations = 79.2 total cpu time spent up to now is 530.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8015 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8535 -20.8535 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6321 -8.6321 -7.7823 -7.7823 -7.7653 -7.7653 -7.6230 -7.6230 -3.5655 -3.5655 -3.4507 -3.4507 -3.4425 -3.4425 -3.0781 -3.0781 -2.9409 -2.9409 -2.9285 -2.9285 -2.2717 -2.2717 -2.2386 -2.2386 -2.2383 -2.2383 -1.9049 -1.9049 -1.9014 -1.9014 -1.8723 -1.8723 3.8382 3.8382 3.8424 3.8424 4.0185 4.0185 4.7627 4.7627 5.0209 5.0229 k = 0.0000 0.0000 0.0242 ( 8015 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8536 -20.8536 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6313 -8.6313 -7.7820 -7.7820 -7.7653 -7.7653 -7.6232 -7.6231 -3.5652 -3.5650 -3.4512 -3.4510 -3.4429 -3.4428 -3.0850 -3.0848 -2.9389 -2.9388 -2.9249 -2.9248 -2.2726 -2.2725 -2.2392 -2.2391 -2.2382 -2.2381 -1.9067 -1.9059 -1.9025 -1.9024 -1.8720 -1.8714 3.8390 3.8390 3.8432 3.8432 4.0202 4.0202 4.7630 4.7632 5.0217 5.0261 k = 0.0000 0.0000 0.0484 ( 8007 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8536 -20.8536 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6289 -8.6289 -7.7809 -7.7809 -7.7653 -7.7653 -7.6236 -7.6236 -3.5644 -3.5638 -3.4524 -3.4522 -3.4440 -3.4439 -3.1027 -3.1023 -2.9383 -2.9382 -2.9112 -2.9111 -2.2751 -2.2749 -2.2411 -2.2411 -2.2374 -2.2372 -1.9120 -1.9107 -1.9043 -1.9041 -1.8706 -1.8696 3.8415 3.8416 3.8458 3.8458 4.0252 4.0253 4.7639 4.7643 5.0236 5.0274 k = 0.0000 0.0000 0.0726 ( 7999 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2047 -21.2046 -20.8536 -20.8536 -20.8468 -20.8468 -20.8254 -20.8253 -20.8055 -20.8055 -8.6250 -8.6250 -7.7791 -7.7791 -7.7654 -7.7654 -7.6243 -7.6243 -3.5628 -3.5620 -3.4548 -3.4544 -3.4459 -3.4458 -3.1259 -3.1254 -2.9403 -2.9403 -2.8911 -2.8910 -2.2792 -2.2789 -2.2444 -2.2443 -2.2362 -2.2359 -1.9205 -1.9191 -1.9063 -1.9061 -1.8689 -1.8677 3.8457 3.8457 3.8501 3.8502 4.0335 4.0337 4.7654 4.7660 5.0254 5.0258 k = 0.0000 0.0000 0.0968 ( 7977 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2157 -21.2047 -21.2046 -20.8536 -20.8536 -20.8468 -20.8468 -20.8253 -20.8252 -20.8055 -20.8055 -8.6196 -8.6196 -7.7765 -7.7765 -7.7654 -7.7654 -7.6254 -7.6253 -3.5607 -3.5595 -3.4583 -3.4579 -3.4488 -3.4487 -3.1513 -3.1506 -2.9439 -2.9439 -2.8689 -2.8687 -2.2847 -2.2843 -2.2487 -2.2486 -2.2348 -2.2345 -1.9315 -1.9301 -1.9087 -1.9087 -1.8670 -1.8658 3.8514 3.8515 3.8564 3.8565 4.0452 4.0454 4.7675 4.7684 5.0280 5.0283 k = 0.0000 0.0000 0.1210 ( 7981 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2048 -21.2047 -20.8536 -20.8536 -20.8469 -20.8469 -20.8252 -20.8251 -20.8056 -20.8055 -8.6126 -8.6126 -7.7733 -7.7733 -7.7655 -7.7655 -7.6267 -7.6267 -3.5582 -3.5566 -3.4632 -3.4627 -3.4531 -3.4530 -3.1764 -3.1756 -2.9487 -2.9487 -2.8468 -2.8465 -2.2918 -2.2914 -2.2540 -2.2539 -2.2335 -2.2332 -1.9447 -1.9433 -1.9118 -1.9118 -1.8652 -1.8641 3.8586 3.8587 3.8646 3.8648 4.0599 4.0601 4.7702 4.7712 5.0310 5.0317 k = 0.0000 0.0000 0.1452 ( 7985 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2049 -21.2048 -20.8537 -20.8537 -20.8470 -20.8470 -20.8251 -20.8250 -20.8057 -20.8056 -8.6042 -8.6042 -7.7695 -7.7695 -7.7657 -7.7657 -7.6283 -7.6283 -3.5555 -3.5534 -3.4695 -3.4689 -3.4595 -3.4592 -3.1995 -3.1987 -2.9545 -2.9545 -2.8257 -2.8253 -2.3005 -2.3001 -2.2600 -2.2599 -2.2323 -2.2320 -1.9595 -1.9582 -1.9155 -1.9153 -1.8635 -1.8624 3.8674 3.8674 3.8749 3.8752 4.0777 4.0779 4.7734 4.7745 5.0347 5.0359 k = 0.0000 0.0000 0.1694 ( 7983 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2050 -21.2049 -20.8537 -20.8537 -20.8472 -20.8472 -20.8250 -20.8248 -20.8058 -20.8057 -8.5942 -8.5942 -7.7659 -7.7659 -7.7651 -7.7651 -7.6302 -7.6302 -3.5533 -3.5505 -3.4771 -3.4762 -3.4683 -3.4678 -3.2192 -3.2183 -2.9612 -2.9612 -2.8063 -2.8058 -2.3112 -2.3107 -2.2664 -2.2663 -2.2315 -2.2312 -1.9757 -1.9745 -1.9195 -1.9194 -1.8617 -1.8607 3.8777 3.8778 3.8873 3.8876 4.0983 4.0986 4.7772 4.7783 5.0384 5.0399 k = 0.0000 0.0000 0.1935 ( 7987 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2051 -21.2050 -20.8538 -20.8538 -20.8473 -20.8473 -20.8248 -20.8247 -20.8059 -20.8058 -8.5828 -8.5828 -7.7660 -7.7660 -7.7601 -7.7601 -7.6324 -7.6323 -3.5528 -3.5490 -3.4862 -3.4846 -3.4791 -3.4784 -3.2345 -3.2335 -2.9688 -2.9687 -2.7892 -2.7886 -2.3240 -2.3235 -2.2730 -2.2729 -2.2310 -2.2307 -1.9928 -1.9917 -1.9239 -1.9237 -1.8599 -1.8590 3.8897 3.8898 3.9018 3.9022 4.1217 4.1220 4.7814 4.7826 5.0431 5.0445 k = 0.0000 0.0000 0.2177 ( 7995 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2052 -21.2051 -20.8539 -20.8539 -20.8475 -20.8475 -20.8247 -20.8245 -20.8060 -20.8059 -8.5699 -8.5699 -7.7661 -7.7661 -7.7547 -7.7547 -7.6348 -7.6347 -3.5568 -3.5521 -3.4959 -3.4938 -3.4899 -3.4888 -3.2447 -3.2438 -2.9771 -2.9770 -2.7748 -2.7741 -2.3392 -2.3388 -2.2793 -2.2792 -2.2311 -2.2308 -2.0102 -2.0092 -1.9286 -1.9283 -1.8579 -1.8571 3.9034 3.9035 3.9183 3.9188 4.1477 4.1479 4.7862 4.7873 5.0486 5.0501 k = 0.0000 0.0000 0.2419 ( 8007 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2155 -21.2054 -21.2053 -20.8539 -20.8539 -20.8477 -20.8477 -20.8245 -20.8244 -20.8062 -20.8061 -8.5556 -8.5556 -7.7663 -7.7663 -7.7488 -7.7488 -7.6374 -7.6374 -3.5689 -3.5643 -3.5048 -3.5041 -3.4972 -3.4948 -3.2501 -3.2493 -2.9861 -2.9860 -2.7633 -2.7625 -2.3572 -2.3568 -2.2850 -2.2849 -2.2319 -2.2316 -2.0276 -2.0266 -1.9333 -1.9330 -1.8556 -1.8549 3.9189 3.9190 3.9370 3.9374 4.1760 4.1763 4.7914 4.7924 5.0547 5.0563 k = 0.0000 0.0000 0.2661 ( 8015 PWs) bands (ev): -39.9200 -39.9200 -39.9184 -39.9184 -21.2156 -21.2155 -21.2056 -21.2054 -20.8540 -20.8540 -20.8479 -20.8479 -20.8243 -20.8241 -20.8064 -20.8062 -8.5399 -8.5399 -7.7665 -7.7665 -7.7425 -7.7425 -7.6402 -7.6402 -3.5900 -3.5861 -3.5159 -3.5159 -3.4967 -3.4944 -3.2513 -3.2506 -2.9957 -2.9956 -2.7551 -2.7543 -2.3782 -2.3778 -2.2899 -2.2898 -2.2334 -2.2332 -2.0443 -2.0434 -1.9381 -1.9377 -1.8531 -1.8525 3.9361 3.9363 3.9577 3.9582 4.2067 4.2069 4.7971 4.7981 5.0615 5.0631 k = 0.0000 0.0000 0.2903 ( 8033 PWs) bands (ev): -39.9200 -39.9200 -39.9184 -39.9184 -21.2156 -21.2155 -21.2058 -21.2056 -20.8541 -20.8541 -20.8482 -20.8482 -20.8241 -20.8239 -20.8066 -20.8064 -8.5229 -8.5229 -7.7666 -7.7666 -7.7359 -7.7359 -7.6433 -7.6432 -3.6174 -3.6144 -3.5287 -3.5286 -3.4913 -3.4897 -3.2491 -3.2484 -3.0058 -3.0057 -2.7504 -2.7494 -2.4023 -2.4019 -2.2935 -2.2934 -2.2359 -2.2356 -2.0601 -2.0593 -1.9427 -1.9424 -1.8503 -1.8498 3.9553 3.9554 3.9805 3.9809 4.2394 4.2397 4.8033 4.8042 5.0688 5.0705 k = 0.0000 0.0000 0.3145 ( 8025 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2156 -21.2154 -21.2059 -21.2058 -20.8541 -20.8541 -20.8484 -20.8484 -20.8239 -20.8237 -20.8067 -20.8066 -8.5046 -8.5046 -7.7667 -7.7667 -7.7291 -7.7291 -7.6465 -7.6464 -3.6487 -3.6462 -3.5425 -3.5423 -3.4836 -3.4825 -3.2442 -3.2436 -3.0162 -3.0161 -2.7491 -2.7481 -2.4295 -2.4290 -2.2957 -2.2956 -2.2394 -2.2391 -2.0745 -2.0739 -1.9471 -1.9467 -1.8471 -1.8466 3.9763 3.9765 4.0052 4.0057 4.2741 4.2743 4.8101 4.8109 5.0767 5.0784 k = 0.0000 0.0000 0.3387 ( 8027 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2155 -21.2154 -21.2061 -21.2060 -20.8542 -20.8542 -20.8486 -20.8486 -20.8236 -20.8234 -20.8069 -20.8068 -8.4850 -8.4850 -7.7668 -7.7668 -7.7221 -7.7221 -7.6499 -7.6498 -3.6823 -3.6802 -3.5572 -3.5571 -3.4745 -3.4738 -3.2372 -3.2367 -3.0269 -3.0268 -2.7513 -2.7502 -2.4596 -2.4591 -2.2965 -2.2964 -2.2441 -2.2438 -2.0876 -2.0870 -1.9511 -1.9507 -1.8435 -1.8431 3.9993 3.9994 4.0319 4.0324 4.3105 4.3106 4.8173 4.8180 5.0851 5.0868 k = 0.0000 0.0000 0.3629 ( 8013 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2155 -21.2153 -21.2063 -21.2061 -20.8543 -20.8543 -20.8489 -20.8489 -20.8233 -20.8231 -20.8071 -20.8069 -8.4642 -8.4642 -7.7668 -7.7668 -7.7152 -7.7151 -7.6534 -7.6533 -3.7170 -3.7153 -3.5729 -3.5728 -3.4643 -3.4640 -3.2287 -3.2281 -3.0379 -3.0378 -2.7566 -2.7556 -2.4923 -2.4919 -2.2958 -2.2957 -2.2500 -2.2498 -2.0993 -2.0987 -1.9546 -1.9542 -1.8395 -1.8392 4.0242 4.0244 4.0605 4.0610 4.3484 4.3486 4.8251 4.8257 5.0939 5.0956 k = 0.0000 0.0000 0.3871 ( 8025 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2154 -21.2152 -21.2066 -21.2064 -20.8543 -20.8543 -20.8491 -20.8491 -20.8231 -20.8229 -20.8074 -20.8072 -8.4423 -8.4423 -7.7668 -7.7668 -7.7083 -7.7082 -7.6570 -7.6569 -3.7523 -3.7508 -3.5896 -3.5894 -3.4536 -3.4535 -3.2188 -3.2184 -3.0489 -3.0488 -2.7649 -2.7638 -2.5273 -2.5269 -2.2937 -2.2937 -2.2574 -2.2571 -2.1095 -2.1090 -1.9575 -1.9571 -1.8352 -1.8349 4.0511 4.0513 4.0908 4.0913 4.3878 4.3879 4.8333 4.8338 5.1029 5.1047 k = 0.0000 0.0000 0.4113 ( 8039 PWs) bands (ev): -39.9199 -39.9199 -39.9185 -39.9185 -21.2154 -21.2152 -21.2068 -21.2066 -20.8544 -20.8544 -20.8494 -20.8494 -20.8228 -20.8226 -20.8076 -20.8074 -8.4193 -8.4193 -7.7668 -7.7668 -7.7016 -7.7015 -7.6608 -7.6607 -3.7876 -3.7863 -3.6071 -3.6070 -3.4425 -3.4424 -3.2080 -3.2076 -3.0600 -3.0599 -2.7758 -2.7747 -2.5641 -2.5637 -2.2905 -2.2905 -2.2662 -2.2659 -2.1185 -2.1181 -1.9597 -1.9593 -1.8306 -1.8303 4.0800 4.0802 4.1229 4.1234 4.4283 4.4284 4.8420 4.8424 5.1122 5.1140 k = 0.0000 0.0000 0.4355 ( 8053 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2153 -21.2151 -21.2070 -21.2068 -20.8545 -20.8545 -20.8497 -20.8497 -20.8225 -20.8223 -20.8079 -20.8077 -8.3953 -8.3953 -7.7667 -7.7666 -7.6952 -7.6951 -7.6646 -7.6645 -3.8225 -3.8214 -3.6256 -3.6254 -3.4312 -3.4309 -3.1964 -3.1960 -3.0710 -3.0709 -2.7888 -2.7877 -2.6023 -2.6020 -2.2864 -2.2864 -2.2765 -2.2762 -2.1263 -2.1260 -1.9611 -1.9606 -1.8257 -1.8255 4.1108 4.1110 4.1566 4.1570 4.4699 4.4699 4.8510 4.8513 5.1216 5.1234 k = 0.0000 0.0000 0.4597 ( 8049 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2153 -21.2151 -21.2073 -21.2071 -20.8546 -20.8546 -20.8500 -20.8500 -20.8222 -20.8220 -20.8081 -20.8079 -8.3702 -8.3702 -7.7665 -7.7665 -7.6892 -7.6891 -7.6686 -7.6684 -3.8567 -3.8557 -3.6449 -3.6448 -3.4197 -3.4192 -3.1840 -3.1836 -3.0819 -3.0818 -2.8035 -2.8023 -2.6414 -2.6410 -2.2884 -2.2880 -2.2815 -2.2814 -2.1332 -2.1329 -1.9615 -1.9611 -1.8206 -1.8204 4.1436 4.1438 4.1917 4.1922 4.5123 4.5124 4.8604 4.8606 5.1311 5.1328 k = 0.0000 0.0000 0.4839 ( 8043 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2152 -21.2150 -21.2075 -21.2073 -20.8546 -20.8546 -20.8502 -20.8502 -20.8219 -20.8216 -20.8084 -20.8081 -8.3443 -8.3443 -7.7663 -7.7662 -7.6837 -7.6836 -7.6725 -7.6723 -3.8898 -3.8890 -3.6651 -3.6650 -3.4082 -3.4076 -3.1709 -3.1706 -3.0926 -3.0925 -2.8194 -2.8182 -2.6809 -2.6806 -2.3015 -2.3012 -2.2762 -2.2761 -2.1392 -2.1389 -1.9610 -1.9605 -1.8154 -1.8152 4.1783 4.1785 4.2282 4.2286 4.5555 4.5556 4.8700 4.8701 5.1404 5.1421 k = 0.0000 0.0000 0.5081 ( 8055 PWs) bands (ev): -39.9198 -39.9198 -39.9186 -39.9186 -21.2151 -21.2149 -21.2078 -21.2076 -20.8547 -20.8547 -20.8505 -20.8505 -20.8216 -20.8213 -20.8087 -20.8084 -8.3176 -8.3176 -7.7659 -7.7659 -7.6792 -7.6790 -7.6763 -7.6760 -3.9217 -3.9210 -3.6862 -3.6860 -3.3969 -3.3962 -3.1572 -3.1570 -3.1030 -3.1029 -2.8362 -2.8350 -2.7204 -2.7201 -2.3161 -2.3158 -2.2707 -2.2706 -2.1446 -2.1443 -1.9595 -1.9590 -1.8101 -1.8100 4.2148 4.2151 4.2658 4.2662 4.5991 4.5993 4.8798 4.8798 5.1494 5.1511 k = 0.0000 0.0000 0.5323 ( 8045 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2150 -21.2148 -21.2080 -21.2078 -20.8547 -20.8547 -20.8508 -20.8508 -20.8213 -20.8210 -20.8089 -20.8087 -8.2902 -8.2902 -7.7655 -7.7655 -7.6807 -7.6807 -7.6745 -7.6745 -3.9520 -3.9514 -3.7080 -3.7079 -3.3859 -3.3851 -3.1429 -3.1427 -3.1132 -3.1130 -2.8534 -2.8522 -2.7595 -2.7592 -2.3321 -2.3317 -2.2649 -2.2649 -2.1494 -2.1491 -1.9569 -1.9564 -1.8050 -1.8049 4.2532 4.2535 4.3044 4.3048 4.6431 4.6434 4.8895 4.8895 5.1580 5.1597 k = 0.0000 0.0000 0.5565 ( 8037 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2149 -21.2146 -21.2083 -21.2081 -20.8548 -20.8548 -20.8511 -20.8511 -20.8209 -20.8206 -20.8092 -20.8090 -8.2621 -8.2621 -7.7650 -7.7650 -7.6847 -7.6846 -7.6714 -7.6714 -3.9806 -3.9801 -3.7306 -3.7305 -3.3753 -3.3744 -3.1281 -3.1279 -3.1229 -3.1228 -2.8706 -2.8694 -2.7978 -2.7975 -2.3493 -2.3490 -2.2593 -2.2592 -2.1537 -2.1535 -1.9532 -1.9528 -1.8000 -1.7999 4.2934 4.2936 4.3439 4.3442 4.6873 4.6876 4.8990 4.8992 5.1661 5.1677 k = 0.0000 0.0000 0.5806 ( 8027 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2148 -21.2145 -21.2086 -21.2083 -20.8548 -20.8548 -20.8513 -20.8513 -20.8205 -20.8202 -20.8095 -20.8093 -8.2335 -8.2335 -7.7644 -7.7644 -7.6887 -7.6886 -7.6693 -7.6693 -4.0073 -4.0068 -3.7539 -3.7538 -3.3653 -3.3644 -3.1324 -3.1324 -3.1127 -3.1127 -2.8875 -2.8862 -2.8349 -2.8347 -2.3678 -2.3674 -2.2537 -2.2537 -2.1577 -2.1575 -1.9485 -1.9481 -1.7954 -1.7953 4.3352 4.3355 4.3839 4.3842 4.7315 4.7319 4.9084 4.9086 5.1733 5.1749 k = 0.0000 0.0000 0.6048 ( 8019 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2146 -21.2144 -21.2088 -21.2086 -20.8548 -20.8548 -20.8516 -20.8516 -20.8202 -20.8199 -20.8098 -20.8096 -8.2044 -8.2044 -7.7637 -7.7636 -7.6927 -7.6926 -7.6683 -7.6683 -4.0318 -4.0314 -3.7779 -3.7777 -3.3560 -3.3550 -3.1415 -3.1414 -3.0971 -3.0970 -2.9036 -2.9023 -2.8706 -2.8704 -2.3874 -2.3871 -2.2484 -2.2483 -2.1614 -2.1612 -1.9428 -1.9424 -1.7911 -1.7911 4.3786 4.3788 4.4243 4.4245 4.7756 4.7761 4.9173 4.9176 5.1796 5.1811 k = 0.0000 0.0000 0.6290 ( 8027 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2145 -21.2143 -21.2091 -21.2088 -20.8549 -20.8549 -20.8519 -20.8519 -20.8198 -20.8195 -20.8102 -20.8099 -8.1751 -8.1750 -7.7629 -7.7628 -7.6967 -7.6965 -7.6687 -7.6686 -4.0541 -4.0538 -3.8024 -3.8023 -3.3473 -3.3463 -3.1503 -3.1502 -3.0816 -3.0814 -2.9184 -2.9170 -2.9044 -2.9043 -2.4081 -2.4078 -2.2433 -2.2432 -2.1649 -2.1647 -1.9361 -1.9358 -1.7874 -1.7874 4.4234 4.4236 4.4648 4.4650 4.8193 4.8199 4.9257 4.9260 5.1846 5.1861 k = 0.0000 0.0000 0.6532 ( 8029 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2144 -21.2142 -21.2094 -21.2091 -20.8549 -20.8549 -20.8521 -20.8521 -20.8195 -20.8191 -20.8105 -20.8102 -8.1454 -8.1454 -7.7619 -7.7619 -7.7006 -7.7005 -7.6703 -7.6702 -4.0739 -4.0736 -3.8273 -3.8272 -3.3394 -3.3383 -3.1589 -3.1588 -3.0669 -3.0666 -2.9362 -2.9361 -2.9309 -2.9294 -2.4298 -2.4294 -2.2385 -2.2384 -2.1681 -2.1680 -1.9286 -1.9283 -1.7843 -1.7843 4.4694 4.4696 4.5052 4.5054 4.8626 4.8633 4.9333 4.9336 5.1881 5.1896 k = 0.0000 0.0000 0.6774 ( 8025 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2143 -21.2140 -21.2096 -21.2093 -20.8549 -20.8549 -20.8523 -20.8523 -20.8191 -20.8188 -20.8108 -20.8105 -8.1157 -8.1157 -7.7609 -7.7608 -7.7045 -7.7043 -7.6735 -7.6733 -4.0911 -4.0909 -3.8526 -3.8525 -3.3321 -3.3311 -3.1672 -3.1671 -3.0543 -3.0538 -2.9655 -2.9654 -2.9397 -2.9382 -2.4524 -2.4520 -2.2339 -2.2339 -2.1712 -2.1711 -1.9202 -1.9199 -1.7819 -1.7819 4.5165 4.5166 4.5453 4.5455 4.9051 4.9059 4.9401 4.9404 5.1900 5.1915 k = 0.0000 0.0000 0.7016 ( 8031 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2142 -21.2139 -21.2099 -21.2096 -20.8549 -20.8549 -20.8526 -20.8526 -20.8187 -20.8184 -20.8112 -20.8109 -8.0860 -8.0859 -7.7597 -7.7597 -7.7083 -7.7081 -7.6781 -7.6780 -4.1056 -4.1055 -3.8780 -3.8779 -3.3255 -3.3244 -3.1754 -3.1753 -3.0455 -3.0450 -2.9922 -2.9921 -2.9427 -2.9412 -2.4758 -2.4755 -2.2297 -2.2297 -2.1742 -2.1740 -1.9113 -1.9110 -1.7803 -1.7803 4.5643 4.5644 4.5848 4.5849 4.9426 4.9435 4.9494 4.9509 5.1899 5.1914 k = 0.0000 0.0000 0.7258 ( 8047 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2140 -21.2137 -21.2102 -21.2099 -20.8550 -20.8550 -20.8528 -20.8528 -20.8184 -20.8180 -20.8115 -20.8112 -8.0564 -8.0564 -7.7584 -7.7584 -7.7121 -7.7119 -7.6844 -7.6843 -4.1174 -4.1172 -3.9034 -3.9034 -3.3193 -3.3183 -3.1837 -3.1836 -3.0425 -3.0421 -3.0160 -3.0159 -2.9381 -2.9368 -2.5000 -2.4997 -2.2258 -2.2258 -2.1770 -2.1769 -1.9018 -1.9015 -1.7796 -1.7796 4.6127 4.6127 4.6235 4.6236 4.9488 4.9496 4.9882 4.9897 5.1876 5.1892 k = 0.0000 0.0000 0.7500 ( 8043 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2139 -21.2136 -21.2104 -21.2101 -20.8549 -20.8549 -20.8530 -20.8530 -20.8180 -20.8177 -20.8119 -20.8116 -8.0270 -8.0270 -7.7570 -7.7569 -7.7157 -7.7155 -7.6924 -7.6922 -4.1263 -4.1262 -3.9286 -3.9286 -3.3135 -3.3125 -3.1921 -3.1920 -3.0448 -3.0446 -3.0366 -3.0366 -2.9261 -2.9251 -2.5249 -2.5246 -2.2221 -2.2221 -2.1797 -2.1796 -1.8918 -1.8916 -1.7797 -1.7797 4.6591 4.6595 4.6629 4.6631 4.9515 4.9522 5.0276 5.0293 5.1829 5.1847 k = 0.0000 0.0000 0.7742 ( 8033 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2137 -21.2134 -21.2107 -21.2104 -20.8549 -20.8549 -20.8532 -20.8532 -20.8176 -20.8173 -20.8122 -20.8119 -7.9981 -7.9980 -7.7554 -7.7554 -7.7193 -7.7190 -7.7020 -7.7018 -4.1322 -4.1322 -3.9534 -3.9534 -3.3080 -3.3070 -3.2008 -3.2007 -3.0540 -3.0540 -3.0506 -3.0505 -2.9089 -2.9081 -2.5503 -2.5500 -2.2187 -2.2187 -2.1824 -2.1822 -1.8816 -1.8815 -1.7807 -1.7807 4.6962 4.6964 4.7105 4.7105 4.9523 4.9531 5.0652 5.0675 5.1757 5.1780 k = 0.0000 0.0000 0.7984 ( 8035 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2135 -21.2132 -21.2109 -21.2106 -20.8549 -20.8548 -20.8534 -20.8534 -20.8172 -20.8169 -20.8126 -20.8123 -7.9696 -7.9696 -7.7538 -7.7537 -7.7230 -7.7224 -7.7134 -7.7129 -4.1353 -4.1353 -3.9776 -3.9776 -3.3025 -3.3016 -3.2099 -3.2097 -3.0681 -3.0680 -3.0580 -3.0580 -2.8883 -2.8877 -2.5762 -2.5760 -2.2155 -2.2155 -2.1849 -2.1848 -1.8713 -1.8712 -1.7827 -1.7827 4.7306 4.7307 4.7583 4.7585 4.9512 4.9521 5.0996 5.1031 5.1667 5.1701 k = 0.0000 0.0000 0.8226 ( 8046 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2134 -21.2131 -21.2112 -21.2109 -20.8548 -20.8548 -20.8536 -20.8536 -20.8168 -20.8165 -20.8130 -20.8127 -7.9419 -7.9418 -7.7520 -7.7520 -7.7283 -7.7267 -7.7256 -7.7239 -4.1355 -4.1355 -4.0009 -4.0009 -3.2970 -3.2961 -3.2192 -3.2190 -3.0789 -3.0789 -3.0659 -3.0658 -2.8656 -2.8652 -2.6026 -2.6023 -2.2125 -2.2125 -2.1874 -2.1873 -1.8611 -1.8609 -1.7857 -1.7857 4.7629 4.7629 4.8050 4.8055 4.9481 4.9491 5.1234 5.1289 5.1625 5.1679 k = 0.0000 0.0000 0.8468 ( 8046 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2132 -21.2129 -21.2114 -21.2111 -20.8548 -20.8548 -20.8538 -20.8538 -20.8165 -20.8161 -20.8134 -20.8130 -7.9149 -7.9148 -7.7504 -7.7504 -7.7413 -7.7410 -7.7289 -7.7286 -4.1329 -4.1329 -4.0230 -4.0230 -3.2913 -3.2905 -3.2287 -3.2284 -3.0867 -3.0867 -3.0734 -3.0732 -2.8414 -2.8411 -2.6292 -2.6290 -2.2097 -2.2096 -2.1899 -2.1898 -1.8509 -1.8508 -1.7897 -1.7896 4.7929 4.7930 4.8497 4.8505 4.9433 4.9445 5.1210 5.1240 5.1837 5.1868 k = 0.0000 0.0000 0.8710 ( 8040 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2130 -21.2127 -21.2117 -21.2114 -20.8547 -20.8547 -20.8540 -20.8540 -20.8160 -20.8157 -20.8137 -20.8134 -7.8888 -7.8887 -7.7587 -7.7586 -7.7472 -7.7472 -7.7320 -7.7319 -4.1275 -4.1275 -4.0438 -4.0438 -3.2853 -3.2845 -3.2381 -3.2377 -3.0918 -3.0917 -3.0801 -3.0800 -2.8162 -2.8160 -2.6561 -2.6559 -2.2070 -2.2069 -2.1923 -2.1922 -1.8411 -1.8410 -1.7946 -1.7945 4.8205 4.8206 4.8893 4.8909 4.9388 4.9406 5.1032 5.1048 5.2140 5.2155 k = 0.0000 0.0000 0.8952 ( 8032 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2128 -21.2125 -21.2119 -21.2116 -20.8546 -20.8546 -20.8541 -20.8541 -20.8156 -20.8153 -20.8141 -20.8138 -7.8637 -7.8637 -7.7765 -7.7764 -7.7452 -7.7452 -7.7349 -7.7349 -4.1194 -4.1193 -4.0630 -4.0629 -3.2788 -3.2781 -3.2472 -3.2468 -3.0944 -3.0943 -3.0859 -3.0857 -2.7903 -2.7902 -2.6831 -2.6830 -2.2044 -2.2043 -2.1947 -2.1946 -1.8317 -1.8316 -1.8004 -1.8004 4.8454 4.8455 4.9085 4.9101 4.9506 4.9524 5.0793 5.0801 5.2438 5.2447 k = 0.0000 0.0000 0.9194 ( 8028 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2122 -21.2121 -21.2118 -20.8545 -20.8545 -20.8542 -20.8542 -20.8152 -20.8149 -20.8145 -20.8141 -7.8399 -7.8399 -7.7961 -7.7961 -7.7429 -7.7429 -7.7377 -7.7377 -4.1087 -4.1086 -4.0803 -4.0803 -3.2718 -3.2711 -3.2560 -3.2554 -3.0948 -3.0947 -3.0904 -3.0902 -2.7638 -2.7638 -2.7101 -2.7101 -2.2019 -2.2018 -2.1971 -2.1970 -1.8228 -1.8227 -1.8071 -1.8070 4.8675 4.8677 4.9014 4.9020 4.9842 4.9848 5.0510 5.0514 5.2720 5.2725 k = 0.0000 0.0000 0.9436 ( 8032 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8544 -20.8544 -20.8149 -20.8149 -20.8145 -20.8145 -7.8173 -7.8173 -7.8173 -7.8173 -7.7404 -7.7404 -7.7404 -7.7404 -4.0956 -4.0956 -4.0956 -4.0956 -3.2642 -3.2642 -3.2636 -3.2636 -3.0934 -3.0934 -3.0933 -3.0933 -2.7371 -2.7371 -2.7371 -2.7371 -2.1995 -2.1995 -2.1994 -2.1994 -1.8146 -1.8146 -1.8145 -1.8145 4.8864 4.8864 4.8867 4.8867 5.0191 5.0191 5.0192 5.0192 5.2980 5.2982 k = 0.0000 0.0000 0.9436 ( 8032 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8544 -20.8544 -20.8149 -20.8149 -20.8145 -20.8145 -7.8173 -7.8173 -7.8173 -7.8173 -7.7404 -7.7404 -7.7404 -7.7404 -4.0956 -4.0956 -4.0956 -4.0956 -3.2642 -3.2642 -3.2636 -3.2636 -3.0934 -3.0934 -3.0933 -3.0933 -2.7371 -2.7371 -2.7371 -2.7371 -2.1995 -2.1995 -2.1994 -2.1994 -1.8146 -1.8146 -1.8145 -1.8145 4.8864 4.8864 4.8867 4.8867 5.0191 5.0191 5.0192 5.0192 5.2980 5.2983 k =-0.0122 0.0195 0.9436 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8543 -20.8543 -20.8149 -20.8149 -20.8145 -20.8145 -7.8180 -7.8180 -7.8176 -7.8176 -7.7408 -7.7408 -7.7403 -7.7403 -4.0941 -4.0941 -4.0940 -4.0940 -3.2645 -3.2645 -3.2639 -3.2639 -3.0927 -3.0927 -3.0925 -3.0925 -2.7368 -2.7368 -2.7367 -2.7367 -2.1996 -2.1996 -2.1995 -2.1995 -1.8148 -1.8148 -1.8147 -1.8147 4.8761 4.8761 4.8771 4.8771 5.0246 5.0246 5.0261 5.0261 5.2968 5.2975 k =-0.0244 0.0391 0.9436 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8543 -20.8542 -20.8149 -20.8149 -20.8145 -20.8145 -7.8199 -7.8199 -7.8190 -7.8190 -7.7416 -7.7416 -7.7406 -7.7406 -4.0895 -4.0895 -4.0895 -4.0894 -3.2655 -3.2655 -3.2648 -3.2648 -3.0905 -3.0904 -3.0903 -3.0902 -2.7359 -2.7359 -2.7357 -2.7357 -2.2001 -2.2001 -2.2000 -2.1999 -1.8154 -1.8154 -1.8153 -1.8153 4.8504 4.8504 4.8518 4.8519 5.0383 5.0383 5.0409 5.0410 5.2933 5.2941 k =-0.0366 0.0586 0.9436 ( 8016 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8542 -20.8542 -20.8149 -20.8149 -20.8145 -20.8145 -7.8229 -7.8229 -7.8216 -7.8216 -7.7426 -7.7426 -7.7412 -7.7412 -4.0820 -4.0819 -4.0819 -4.0818 -3.2671 -3.2671 -3.2663 -3.2663 -3.0869 -3.0868 -3.0866 -3.0866 -2.7345 -2.7345 -2.7341 -2.7341 -2.2009 -2.2009 -2.2007 -2.2007 -1.8164 -1.8164 -1.8163 -1.8162 4.8157 4.8157 4.8172 4.8172 5.0539 5.0539 5.0572 5.0572 5.2881 5.2888 k =-0.0488 0.0781 0.9436 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8545 -20.8544 -20.8541 -20.8541 -20.8149 -20.8149 -20.8145 -20.8145 -7.8271 -7.8271 -7.8254 -7.8254 -7.7437 -7.7437 -7.7420 -7.7420 -4.0715 -4.0714 -4.0713 -4.0713 -3.2692 -3.2692 -3.2682 -3.2682 -3.0820 -3.0819 -3.0817 -3.0817 -2.7324 -2.7324 -2.7319 -2.7319 -2.2020 -2.2020 -2.2017 -2.2017 -1.8178 -1.8178 -1.8177 -1.8176 4.7754 4.7754 4.7769 4.7769 5.0672 5.0673 5.0712 5.0712 5.2823 5.2823 k =-0.0610 0.0976 0.9436 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2119 -21.2119 -20.8544 -20.8544 -20.8540 -20.8540 -20.8150 -20.8150 -20.8145 -20.8145 -7.8326 -7.8325 -7.8306 -7.8306 -7.7449 -7.7449 -7.7429 -7.7429 -4.0581 -4.0581 -4.0580 -4.0579 -3.2716 -3.2716 -3.2705 -3.2705 -3.0760 -3.0759 -3.0756 -3.0756 -2.7297 -2.7297 -2.7291 -2.7291 -2.2034 -2.2033 -2.2030 -2.2030 -1.8196 -1.8196 -1.8194 -1.8193 4.7314 4.7314 4.7328 4.7328 5.0764 5.0764 5.0807 5.0808 5.2767 5.2767 k =-0.0732 0.1172 0.9436 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2122 -21.2119 -21.2119 -20.8544 -20.8544 -20.8539 -20.8539 -20.8150 -20.8150 -20.8145 -20.8145 -7.8393 -7.8393 -7.8372 -7.8372 -7.7460 -7.7460 -7.7437 -7.7437 -4.0420 -4.0420 -4.0418 -4.0418 -3.2743 -3.2743 -3.2730 -3.2730 -3.0690 -3.0689 -3.0686 -3.0686 -2.7264 -2.7264 -2.7257 -2.7257 -2.2049 -2.2049 -2.2045 -2.2045 -1.8218 -1.8218 -1.8215 -1.8215 4.6847 4.6847 4.6860 4.6860 5.0801 5.0801 5.0847 5.0847 5.2723 5.2723 k =-0.0854 0.1367 0.9436 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2119 -21.2119 -20.8544 -20.8544 -20.8538 -20.8538 -20.8150 -20.8150 -20.8145 -20.8144 -7.8474 -7.8474 -7.8452 -7.8452 -7.7468 -7.7468 -7.7443 -7.7443 -4.0233 -4.0233 -4.0231 -4.0231 -3.2770 -3.2769 -3.2755 -3.2755 -3.0611 -3.0611 -3.0607 -3.0607 -2.7225 -2.7225 -2.7218 -2.7217 -2.2067 -2.2066 -2.2062 -2.2061 -1.8243 -1.8243 -1.8240 -1.8239 4.6358 4.6358 4.6371 4.6371 5.0777 5.0777 5.0824 5.0824 5.2699 5.2700 k =-0.0976 0.1562 0.9436 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2118 -21.2118 -20.8544 -20.8544 -20.8537 -20.8537 -20.8151 -20.8151 -20.8144 -20.8144 -7.8569 -7.8569 -7.8546 -7.8545 -7.7473 -7.7473 -7.7448 -7.7448 -4.0022 -4.0022 -4.0020 -4.0020 -3.2796 -3.2795 -3.2780 -3.2780 -3.0526 -3.0526 -3.0522 -3.0522 -2.7181 -2.7181 -2.7172 -2.7172 -2.2086 -2.2085 -2.2080 -2.2079 -1.8272 -1.8272 -1.8269 -1.8268 4.5854 4.5854 4.5866 4.5866 5.0695 5.0695 5.0740 5.0740 5.2697 5.2697 k =-0.0976 0.1562 0.9436 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2118 -21.2118 -20.8544 -20.8544 -20.8537 -20.8537 -20.8151 -20.8151 -20.8144 -20.8144 -7.8569 -7.8569 -7.8546 -7.8545 -7.7473 -7.7473 -7.7448 -7.7448 -4.0022 -4.0022 -4.0020 -4.0020 -3.2796 -3.2795 -3.2780 -3.2780 -3.0526 -3.0526 -3.0522 -3.0522 -2.7181 -2.7181 -2.7172 -2.7172 -2.2086 -2.2085 -2.2080 -2.2079 -1.8272 -1.8272 -1.8269 -1.8268 4.5854 4.5854 4.5866 4.5866 5.0695 5.0695 5.0740 5.0740 5.2697 5.2698 k =-0.1068 0.1708 0.9263 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2120 -21.2119 -21.2117 -20.8543 -20.8543 -20.8536 -20.8535 -20.8153 -20.8151 -20.8144 -20.8143 -7.8748 -7.8748 -7.8537 -7.8536 -7.7485 -7.7483 -7.7434 -7.7432 -3.9929 -3.9927 -3.9760 -3.9759 -3.2864 -3.2852 -3.2755 -3.2744 -3.0486 -3.0483 -3.0421 -3.0419 -2.7325 -2.7318 -2.6958 -2.6953 -2.2110 -2.2109 -2.2084 -2.2083 -1.8342 -1.8340 -1.8252 -1.8250 4.5164 4.5168 4.5777 4.5781 5.0502 5.0519 5.0707 5.0725 5.2633 5.2662 k =-0.1159 0.1855 0.9090 ( 8027 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2124 -21.2121 -21.2118 -21.2115 -20.8543 -20.8543 -20.8534 -20.8534 -20.8155 -20.8153 -20.8143 -20.8140 -7.8944 -7.8944 -7.8547 -7.8546 -7.7503 -7.7501 -7.7396 -7.7394 -3.9810 -3.9808 -3.9488 -3.9486 -3.2931 -3.2918 -3.2714 -3.2702 -3.0438 -3.0436 -3.0305 -3.0302 -2.7465 -2.7457 -2.6737 -2.6731 -2.2136 -2.2135 -2.2087 -2.2086 -1.8415 -1.8413 -1.8244 -1.8242 4.4457 4.4461 4.5699 4.5703 5.0261 5.0276 5.0669 5.0685 5.2592 5.2623 k =-0.1250 0.2001 0.8918 ( 8034 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2116 -21.2113 -20.8543 -20.8542 -20.8533 -20.8533 -20.8158 -20.8155 -20.8141 -20.8138 -7.9144 -7.9144 -7.8582 -7.8582 -7.7523 -7.7521 -7.7343 -7.7341 -3.9668 -3.9665 -3.9207 -3.9206 -3.2994 -3.2979 -3.2667 -3.2655 -3.0383 -3.0380 -3.0177 -3.0174 -2.7597 -2.7588 -2.6515 -2.6510 -2.2161 -2.2159 -2.2091 -2.2090 -1.8490 -1.8487 -1.8247 -1.8245 4.3746 4.3750 4.5626 4.5630 4.9987 5.0001 5.0601 5.0617 5.2574 5.2607 k =-0.1342 0.2148 0.8745 ( 8028 PWs) bands (ev): -39.9193 -39.9193 -39.9191 -39.9191 -21.2125 -21.2123 -21.2114 -21.2111 -20.8542 -20.8542 -20.8532 -20.8531 -20.8160 -20.8157 -20.8139 -20.8136 -7.9345 -7.9345 -7.8637 -7.8637 -7.7543 -7.7541 -7.7282 -7.7280 -3.9503 -3.9500 -3.8924 -3.8922 -3.3054 -3.3037 -3.2614 -3.2601 -3.0319 -3.0317 -3.0039 -3.0035 -2.7723 -2.7712 -2.6294 -2.6288 -2.2183 -2.2181 -2.2096 -2.2094 -1.8566 -1.8563 -1.8262 -1.8260 4.3040 4.3045 4.5557 4.5562 4.9691 4.9702 5.0508 5.0524 5.2570 5.2605 k =-0.1433 0.2294 0.8573 ( 8028 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2126 -21.2123 -21.2112 -21.2110 -20.8542 -20.8541 -20.8530 -20.8529 -20.8162 -20.8160 -20.8137 -20.8134 -7.9547 -7.9546 -7.8706 -7.8705 -7.7564 -7.7562 -7.7217 -7.7216 -3.9318 -3.9315 -3.8643 -3.8641 -3.3110 -3.3092 -3.2555 -3.2540 -3.0249 -3.0246 -2.9893 -2.9888 -2.7841 -2.7829 -2.6075 -2.6068 -2.2203 -2.2201 -2.2100 -2.2098 -1.8642 -1.8640 -1.8290 -1.8288 4.2348 4.2352 4.5494 4.5498 4.9379 4.9388 5.0395 5.0410 5.2569 5.2605 k =-0.1525 0.2440 0.8400 ( 8032 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2127 -21.2124 -21.2111 -21.2108 -20.8541 -20.8541 -20.8528 -20.8528 -20.8165 -20.8162 -20.8135 -20.8132 -7.9746 -7.9745 -7.8785 -7.8784 -7.7584 -7.7583 -7.7152 -7.7151 -3.9115 -3.9112 -3.8367 -3.8365 -3.3165 -3.3144 -3.2487 -3.2471 -3.0172 -3.0169 -2.9739 -2.9733 -2.7952 -2.7938 -2.5856 -2.5850 -2.2221 -2.2219 -2.2104 -2.2102 -1.8720 -1.8717 -1.8332 -1.8329 4.1674 4.1678 4.5436 4.5440 4.9059 4.9067 5.0265 5.0280 5.2563 5.2598 k =-0.1616 0.2587 0.8227 ( 8034 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2128 -21.2125 -21.2109 -21.2106 -20.8541 -20.8540 -20.8527 -20.8526 -20.8167 -20.8164 -20.8132 -20.8130 -7.9941 -7.9941 -7.8870 -7.8869 -7.7605 -7.7604 -7.7089 -7.7088 -3.8898 -3.8893 -3.8101 -3.8100 -3.3218 -3.3196 -3.2410 -3.2393 -3.0089 -3.0086 -2.9582 -2.9575 -2.8055 -2.8039 -2.5639 -2.5633 -2.2236 -2.2234 -2.2106 -2.2104 -1.8797 -1.8794 -1.8387 -1.8385 4.1025 4.1029 4.5383 4.5388 4.8737 4.8743 5.0121 5.0137 5.2546 5.2577 k =-0.1708 0.2733 0.8055 ( 8035 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2128 -21.2126 -21.2107 -21.2104 -20.8541 -20.8540 -20.8525 -20.8524 -20.8170 -20.8167 -20.8131 -20.8128 -8.0132 -8.0131 -7.8959 -7.8958 -7.7626 -7.7625 -7.7029 -7.7028 -3.8667 -3.8663 -3.7850 -3.7849 -3.3272 -3.3247 -3.2322 -3.2304 -3.0003 -2.9999 -2.9422 -2.9413 -2.8150 -2.8133 -2.5424 -2.5418 -2.2248 -2.2245 -2.2106 -2.2104 -1.8874 -1.8871 -1.8457 -1.8455 4.0405 4.0409 4.5336 4.5342 4.8418 4.8424 4.9967 4.9982 5.2516 5.2542 k =-0.1799 0.2879 0.7882 ( 8039 PWs) bands (ev): -39.9194 -39.9194 -39.9190 -39.9190 -21.2129 -21.2126 -21.2105 -21.2103 -20.8540 -20.8539 -20.8523 -20.8523 -20.8172 -20.8169 -20.8129 -20.8126 -8.0316 -8.0315 -7.9049 -7.9048 -7.7646 -7.7645 -7.6973 -7.6972 -3.8428 -3.8422 -3.7616 -3.7615 -3.3326 -3.3299 -3.2222 -3.2203 -2.9914 -2.9909 -2.9263 -2.9253 -2.8237 -2.8217 -2.5211 -2.5205 -2.2256 -2.2254 -2.2103 -2.2101 -1.8952 -1.8948 -1.8542 -1.8539 3.9818 3.9822 4.5295 4.5301 4.8106 4.8111 4.9805 4.9821 5.2475 5.2495 k =-0.1891 0.3026 0.7710 ( 8038 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2129 -21.2127 -21.2104 -21.2101 -20.8540 -20.8539 -20.8522 -20.8521 -20.8174 -20.8171 -20.8127 -20.8124 -8.0491 -8.0491 -7.9139 -7.9138 -7.7666 -7.7664 -7.6921 -7.6920 -3.8182 -3.8176 -3.7402 -3.7401 -3.3382 -3.3354 -3.2110 -3.2090 -2.9825 -2.9820 -2.9108 -2.9096 -2.8314 -2.8292 -2.5000 -2.4994 -2.2261 -2.2259 -2.2097 -2.2094 -1.9028 -1.9024 -1.8640 -1.8637 3.9268 3.9271 4.5260 4.5266 4.7805 4.7811 4.9639 4.9655 5.2426 5.2440 k =-0.1982 0.3172 0.7537 ( 8046 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2130 -21.2127 -21.2102 -21.2100 -20.8539 -20.8538 -20.8520 -20.8519 -20.8176 -20.8173 -20.8125 -20.8123 -8.0658 -8.0658 -7.9227 -7.9226 -7.7684 -7.7683 -7.6874 -7.6873 -3.7932 -3.7926 -3.7210 -3.7209 -3.3442 -3.3412 -3.1986 -3.1965 -2.9741 -2.9734 -2.8960 -2.8948 -2.8379 -2.8354 -2.4791 -2.4785 -2.2262 -2.2260 -2.2085 -2.2083 -1.9104 -1.9100 -1.8752 -1.8749 3.8756 3.8759 4.5230 4.5236 4.7519 4.7526 4.9470 4.9486 5.2372 5.2381 k =-0.2074 0.3318 0.7365 ( 8037 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2130 -21.2128 -21.2101 -21.2098 -20.8538 -20.8537 -20.8519 -20.8518 -20.8178 -20.8175 -20.8124 -20.8121 -8.0814 -8.0814 -7.9311 -7.9311 -7.7702 -7.7701 -7.6832 -7.6831 -3.7682 -3.7676 -3.7040 -3.7040 -3.3505 -3.3473 -3.1850 -3.1828 -2.9664 -2.9657 -2.8826 -2.8812 -2.8428 -2.8400 -2.4585 -2.4579 -2.2260 -2.2258 -2.2068 -2.2066 -1.9179 -1.9175 -1.8876 -1.8873 3.8285 3.8288 4.5204 4.5212 4.7251 4.7260 4.9303 4.9319 5.2316 5.2320 k =-0.2165 0.3465 0.7192 ( 8041 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2130 -21.2128 -21.2099 -21.2097 -20.8538 -20.8537 -20.8517 -20.8516 -20.8179 -20.8177 -20.8122 -20.8120 -8.0959 -8.0958 -7.9392 -7.9391 -7.7719 -7.7718 -7.6794 -7.6793 -3.7436 -3.7429 -3.6893 -3.6892 -3.3572 -3.3539 -3.1704 -3.1681 -2.9602 -2.9594 -2.8712 -2.8699 -2.8450 -2.8422 -2.4383 -2.4377 -2.2254 -2.2251 -2.2046 -2.2045 -1.9255 -1.9250 -1.9010 -1.9006 3.7856 3.7859 4.5183 4.5193 4.7003 4.7013 4.9139 4.9156 5.2258 5.2262 k =-0.2256 0.3611 0.7019 ( 8044 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2131 -21.2128 -21.2098 -21.2096 -20.8537 -20.8536 -20.8516 -20.8515 -20.8181 -20.8178 -20.8121 -20.8119 -8.1090 -8.1090 -7.9466 -7.9466 -7.7734 -7.7733 -7.6761 -7.6760 -3.7195 -3.7188 -3.6768 -3.6767 -3.3644 -3.3609 -3.1549 -3.1527 -2.9559 -2.9550 -2.8630 -2.8622 -2.8431 -2.8407 -2.4185 -2.4179 -2.2243 -2.2241 -2.2019 -2.2018 -1.9332 -1.9327 -1.9149 -1.9144 3.7471 3.7474 4.5166 4.5177 4.6778 4.6790 4.8982 4.8999 5.2200 5.2206 k =-0.2348 0.3757 0.6847 ( 8048 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2131 -21.2129 -21.2097 -21.2095 -20.8537 -20.8535 -20.8515 -20.8514 -20.8182 -20.8180 -20.8120 -20.8118 -8.1209 -8.1209 -7.9534 -7.9534 -7.7748 -7.7747 -7.6732 -7.6732 -3.6965 -3.6957 -3.6662 -3.6662 -3.3719 -3.3683 -3.1390 -3.1367 -2.9542 -2.9531 -2.8583 -2.8576 -2.8372 -2.8357 -2.3995 -2.3989 -2.2228 -2.2225 -2.1987 -2.1986 -1.9420 -1.9413 -1.9283 -1.9277 3.7131 3.7134 4.5151 4.5164 4.6577 4.6592 4.8834 4.8851 5.2145 5.2154 k =-0.2439 0.3904 0.6674 ( 8044 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2131 -21.2129 -21.2096 -21.2094 -20.8536 -20.8535 -20.8514 -20.8513 -20.8183 -20.8181 -20.8119 -20.8117 -8.1313 -8.1313 -7.9595 -7.9594 -7.7760 -7.7759 -7.6708 -7.6707 -3.6747 -3.6739 -3.6576 -3.6575 -3.3797 -3.3760 -3.1227 -3.1205 -2.9551 -2.9539 -2.8548 -2.8534 -2.8305 -2.8293 -2.3814 -2.3808 -2.2209 -2.2205 -2.1952 -2.1951 -1.9534 -1.9527 -1.9389 -1.9382 3.6836 3.6838 4.5138 4.5153 4.6402 4.6420 4.8699 4.8715 5.2096 5.2108 k =-0.2531 0.4050 0.6502 ( 8035 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2131 -21.2129 -21.2095 -21.2093 -20.8535 -20.8534 -20.8513 -20.8512 -20.8184 -20.8182 -20.8118 -20.8116 -8.1403 -8.1402 -7.9647 -7.9647 -7.7771 -7.7770 -7.6687 -7.6687 -3.6550 -3.6541 -3.6505 -3.6502 -3.3875 -3.3837 -3.1066 -3.1044 -2.9586 -2.9572 -2.8507 -2.8489 -2.8246 -2.8234 -2.3648 -2.3642 -2.2183 -2.2179 -2.1916 -2.1916 -1.9672 -1.9666 -1.9463 -1.9456 3.6586 3.6588 4.5126 4.5144 4.6254 4.6275 4.8579 4.8595 5.2051 5.2066 k =-0.2622 0.4197 0.6329 ( 8036 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2131 -21.2129 -21.2095 -21.2092 -20.8535 -20.8534 -20.8512 -20.8511 -20.8185 -20.8183 -20.8118 -20.8115 -8.1476 -8.1476 -7.9691 -7.9691 -7.7780 -7.7779 -7.6671 -7.6671 -3.6455 -3.6453 -3.6365 -3.6361 -3.3951 -3.3912 -3.0911 -3.0890 -2.9640 -2.9624 -2.8461 -2.8439 -2.8201 -2.8188 -2.3502 -2.3496 -2.2152 -2.2148 -2.1882 -2.1882 -1.9814 -1.9808 -1.9519 -1.9513 3.6382 3.6384 4.5114 4.5136 4.6134 4.6159 4.8476 4.8492 5.2014 5.2031 k =-0.2714 0.4343 0.6157 ( 8030 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2131 -21.2129 -21.2094 -21.2092 -20.8535 -20.8534 -20.8511 -20.8510 -20.8186 -20.8183 -20.8117 -20.8114 -8.1534 -8.1534 -7.9726 -7.9726 -7.7787 -7.7786 -7.6658 -7.6658 -3.6413 -3.6412 -3.6217 -3.6212 -3.4020 -3.3980 -3.0766 -3.0747 -2.9707 -2.9689 -2.8414 -2.8390 -2.8170 -2.8156 -2.3381 -2.3376 -2.2116 -2.2113 -2.1853 -2.1852 -1.9945 -1.9939 -1.9563 -1.9557 3.6223 3.6225 4.5104 4.5128 4.6043 4.6070 4.8393 4.8409 5.1984 5.2003 k =-0.2805 0.4489 0.5984 ( 8030 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2094 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8186 -20.8184 -20.8117 -20.8114 -8.1576 -8.1576 -7.9751 -7.9751 -7.7792 -7.7791 -7.6649 -7.6649 -3.6385 -3.6384 -3.6101 -3.6098 -3.4077 -3.4035 -3.0642 -3.0624 -2.9777 -2.9756 -2.8374 -2.8347 -2.8153 -2.8137 -2.3291 -2.3286 -2.2081 -2.2078 -2.1831 -2.1829 -2.0051 -2.0045 -1.9595 -1.9589 3.6110 3.6112 4.5096 4.5122 4.5978 4.6008 4.8332 4.8348 5.1962 5.1983 k =-0.2897 0.4636 0.5811 ( 8036 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2093 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8186 -20.8184 -20.8116 -20.8114 -8.1601 -8.1601 -7.9766 -7.9766 -7.7795 -7.7794 -7.6644 -7.6644 -3.6369 -3.6367 -3.6028 -3.6026 -3.4114 -3.4072 -3.0552 -3.0536 -2.9834 -2.9812 -2.8347 -2.8317 -2.8146 -2.8129 -2.3236 -2.3231 -2.2054 -2.2053 -2.1818 -2.1815 -2.0121 -2.0115 -1.9615 -1.9609 3.6042 3.6044 4.5090 4.5118 4.5940 4.5972 4.8295 4.8310 5.1949 5.1971 k =-0.2988 0.4782 0.5639 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2093 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8187 -20.8184 -20.8116 -20.8114 -8.1610 -8.1609 -7.9771 -7.9771 -7.7796 -7.7795 -7.6642 -7.6642 -3.6363 -3.6362 -3.6003 -3.6001 -3.4128 -3.4085 -3.0518 -3.0503 -2.9857 -2.9834 -2.8337 -2.8306 -2.8145 -2.8126 -2.3217 -2.3212 -2.2044 -2.2043 -2.1813 -2.1811 -2.0146 -2.0139 -1.9622 -1.9616 3.6019 3.6021 4.5088 4.5116 4.5928 4.5960 4.8282 4.8298 5.1944 5.1967 k =-0.2988 0.4782 0.5639 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2093 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8187 -20.8184 -20.8116 -20.8114 -8.1610 -8.1609 -7.9771 -7.9771 -7.7796 -7.7795 -7.6642 -7.6642 -3.6363 -3.6362 -3.6003 -3.6001 -3.4128 -3.4085 -3.0518 -3.0503 -2.9857 -2.9834 -2.8337 -2.8306 -2.8145 -2.8126 -2.3217 -2.3212 -2.2044 -2.2043 -2.1813 -2.1811 -2.0146 -2.0139 -1.9622 -1.9616 3.6019 3.6021 4.5088 4.5116 4.5928 4.5960 4.8282 4.8298 5.1944 5.1967 k =-0.2898 0.4637 0.5468 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2133 -21.2131 -21.2092 -21.2090 -20.8536 -20.8534 -20.8511 -20.8510 -20.8189 -20.8186 -20.8114 -20.8111 -8.1680 -8.1680 -7.9608 -7.9607 -7.7770 -7.7769 -7.6620 -7.6620 -3.6388 -3.6385 -3.6343 -3.6342 -3.4095 -3.4050 -3.0523 -3.0504 -2.9981 -2.9960 -2.8348 -2.8319 -2.8135 -2.8119 -2.3177 -2.3173 -2.2133 -2.2133 -2.1760 -2.1757 -2.0044 -2.0037 -1.9687 -1.9681 3.6130 3.6132 4.5574 4.5621 4.6196 4.6247 4.8428 4.8444 5.1942 5.1960 k =-0.2807 0.4492 0.5297 ( 8038 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2135 -21.2133 -21.2091 -21.2089 -20.8537 -20.8536 -20.8510 -20.8510 -20.8192 -20.8189 -20.8111 -20.8108 -8.1773 -8.1773 -7.9450 -7.9449 -7.7732 -7.7731 -7.6600 -7.6600 -3.6654 -3.6652 -3.6402 -3.6400 -3.4075 -3.4027 -3.0514 -3.0490 -3.0115 -3.0095 -2.8336 -2.8310 -2.8117 -2.8103 -2.3137 -2.3133 -2.2218 -2.2218 -2.1701 -2.1697 -1.9942 -1.9935 -1.9755 -1.9749 3.6243 3.6245 4.5740 4.5772 4.6774 4.6811 4.8539 4.8555 5.1936 5.1945 k =-0.2716 0.4347 0.5126 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2137 -21.2134 -21.2089 -21.2087 -20.8538 -20.8537 -20.8510 -20.8509 -20.8194 -20.8192 -20.8108 -20.8105 -8.1886 -8.1886 -7.9298 -7.9297 -7.7683 -7.7682 -7.6584 -7.6584 -3.6930 -3.6929 -3.6406 -3.6404 -3.4067 -3.4016 -3.0491 -3.0463 -3.0256 -3.0239 -2.8300 -2.8276 -2.8090 -2.8078 -2.3097 -2.3094 -2.2299 -2.2298 -2.1634 -2.1630 -1.9842 -1.9834 -1.9824 -1.9817 3.6359 3.6361 4.5774 4.5796 4.7424 4.7450 4.8615 4.8631 5.1893 5.1900 k =-0.2626 0.4202 0.4955 ( 8022 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2138 -21.2136 -21.2088 -21.2085 -20.8539 -20.8538 -20.8509 -20.8508 -20.8197 -20.8194 -20.8105 -20.8103 -8.2018 -8.2018 -7.9153 -7.9153 -7.7624 -7.7623 -7.6572 -7.6572 -3.7172 -3.7170 -3.6400 -3.6398 -3.4071 -3.4019 -3.0459 -3.0434 -3.0395 -3.0388 -2.8238 -2.8217 -2.8056 -2.8046 -2.3057 -2.3055 -2.2374 -2.2373 -2.1561 -2.1556 -1.9893 -1.9887 -1.9741 -1.9733 3.6476 3.6478 4.5759 4.5775 4.8053 4.8074 4.8659 4.8674 5.1741 5.1769 k =-0.2535 0.4057 0.4784 ( 8014 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2140 -21.2138 -21.2086 -21.2084 -20.8540 -20.8539 -20.8508 -20.8507 -20.8200 -20.8197 -20.8102 -20.8100 -8.2168 -8.2168 -7.9017 -7.9016 -7.7557 -7.7555 -7.6565 -7.6565 -3.7376 -3.7375 -3.6383 -3.6381 -3.4086 -3.4033 -3.0564 -3.0549 -3.0411 -3.0373 -2.8148 -2.8130 -2.8016 -2.8008 -2.3018 -2.3016 -2.2442 -2.2442 -2.1483 -2.1477 -1.9960 -1.9954 -1.9642 -1.9634 3.6594 3.6596 4.5710 4.5723 4.8636 4.8637 4.8688 4.8692 5.1433 5.1469 k =-0.2445 0.3913 0.4614 ( 8012 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2141 -21.2139 -21.2085 -21.2082 -20.8540 -20.8539 -20.8507 -20.8507 -20.8202 -20.8200 -20.8100 -20.8097 -8.2332 -8.2332 -7.8888 -7.8888 -7.7484 -7.7482 -7.6563 -7.6563 -3.7543 -3.7542 -3.6357 -3.6354 -3.4112 -3.4059 -3.0721 -3.0707 -3.0362 -3.0320 -2.8032 -2.8016 -2.7970 -2.7965 -2.2980 -2.2979 -2.2504 -2.2504 -2.1398 -2.1392 -2.0026 -2.0020 -1.9545 -1.9537 3.6712 3.6714 4.5633 4.5644 4.8658 4.8669 4.9165 4.9183 5.0991 5.1024 k =-0.2354 0.3768 0.4443 ( 8018 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2143 -21.2141 -21.2083 -21.2081 -20.8541 -20.8540 -20.8506 -20.8506 -20.8205 -20.8203 -20.8097 -20.8094 -8.2508 -8.2508 -7.8768 -7.8768 -7.7406 -7.7405 -7.6566 -7.6566 -3.7671 -3.7669 -3.6319 -3.6317 -3.4148 -3.4095 -3.0882 -3.0869 -3.0308 -3.0263 -2.7928 -2.7918 -2.7882 -2.7874 -2.2943 -2.2942 -2.2559 -2.2559 -2.1309 -2.1302 -2.0089 -2.0083 -1.9451 -1.9442 3.6829 3.6831 4.5529 4.5538 4.8620 4.8626 4.9626 4.9642 5.0462 5.0495 k =-0.2264 0.3623 0.4272 ( 8026 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2144 -21.2142 -21.2081 -21.2079 -20.8542 -20.8541 -20.8505 -20.8504 -20.8208 -20.8206 -20.8095 -20.8092 -8.2695 -8.2695 -7.8656 -7.8656 -7.7327 -7.7325 -7.6577 -7.6576 -3.7759 -3.7757 -3.6271 -3.6269 -3.4193 -3.4140 -3.1043 -3.1032 -3.0251 -3.0205 -2.7874 -2.7869 -2.7713 -2.7706 -2.2907 -2.2906 -2.2606 -2.2606 -2.1215 -2.1207 -2.0148 -2.0142 -1.9359 -1.9350 3.6945 3.6946 4.5400 4.5408 4.8546 4.8550 4.9884 4.9921 5.0019 5.0034 k =-0.2173 0.3478 0.4101 ( 8014 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2145 -21.2143 -21.2079 -21.2077 -20.8542 -20.8541 -20.8503 -20.8503 -20.8211 -20.8208 -20.8092 -20.8089 -8.2890 -8.2890 -7.8553 -7.8553 -7.7246 -7.7244 -7.6593 -7.6593 -3.7806 -3.7805 -3.6214 -3.6212 -3.4245 -3.4194 -3.1204 -3.1194 -3.0192 -3.0145 -2.7822 -2.7817 -2.7516 -2.7511 -2.2873 -2.2872 -2.2646 -2.2646 -2.1117 -2.1109 -2.0202 -2.0196 -1.9270 -1.9261 3.7058 3.7059 4.5248 4.5254 4.8399 4.8418 4.9313 4.9361 5.0341 5.0354 k =-0.2083 0.3333 0.3930 ( 8014 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2147 -21.2145 -21.2077 -21.2075 -20.8542 -20.8542 -20.8502 -20.8501 -20.8214 -20.8211 -20.8089 -20.8087 -8.3092 -8.3092 -7.8457 -7.8457 -7.7165 -7.7163 -7.6617 -7.6617 -3.7815 -3.7813 -3.6148 -3.6146 -3.4304 -3.4254 -3.1363 -3.1354 -3.0132 -3.0085 -2.7769 -2.7765 -2.7295 -2.7292 -2.2840 -2.2838 -2.2677 -2.2677 -2.1017 -2.1007 -2.0251 -2.0244 -1.9185 -1.9176 3.7168 3.7169 4.5072 4.5077 4.8085 4.8118 4.8870 4.8929 5.0595 5.0608 k =-0.1992 0.3188 0.3759 ( 8030 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2148 -21.2146 -21.2076 -21.2074 -20.8543 -20.8542 -20.8500 -20.8500 -20.8216 -20.8214 -20.8087 -20.8084 -8.3298 -8.3298 -7.8370 -7.8370 -7.7085 -7.7084 -7.6648 -7.6648 -3.7784 -3.7782 -3.6075 -3.6073 -3.4369 -3.4321 -3.1520 -3.1511 -3.0072 -3.0025 -2.7717 -2.7715 -2.7054 -2.7052 -2.2809 -2.2807 -2.2700 -2.2699 -2.0913 -2.0902 -2.0293 -2.0287 -1.9105 -1.9095 3.7275 3.7276 4.4875 4.4879 4.7546 4.7574 4.8646 4.8697 5.0787 5.0799 k =-0.1901 0.3043 0.3588 ( 8030 PWs) bands (ev): -39.9198 -39.9198 -39.9186 -39.9186 -21.2149 -21.2147 -21.2074 -21.2072 -20.8543 -20.8542 -20.8499 -20.8498 -20.8219 -20.8217 -20.8084 -20.8082 -8.3507 -8.3507 -7.8290 -7.8290 -7.7007 -7.7006 -7.6686 -7.6686 -3.7716 -3.7714 -3.5994 -3.5993 -3.4438 -3.4393 -3.1672 -3.1663 -3.0013 -2.9967 -2.7669 -2.7667 -2.6794 -2.6793 -2.2780 -2.2777 -2.2715 -2.2714 -2.0807 -2.0795 -2.0328 -2.0322 -1.9028 -1.9018 3.7377 3.7378 4.4658 4.4661 4.6896 4.6916 4.8524 4.8565 5.0924 5.0935 k =-0.1811 0.2898 0.3417 ( 8028 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2150 -21.2148 -21.2072 -21.2070 -20.8543 -20.8542 -20.8497 -20.8497 -20.8222 -20.8219 -20.8082 -20.8080 -8.3717 -8.3717 -7.8217 -7.8217 -7.6932 -7.6930 -7.6730 -7.6730 -3.7611 -3.7609 -3.5908 -3.5907 -3.4511 -3.4469 -3.1819 -3.1811 -2.9954 -2.9910 -2.7624 -2.7623 -2.6518 -2.6518 -2.2751 -2.2748 -2.2721 -2.2720 -2.0699 -2.0687 -2.0355 -2.0349 -1.8957 -1.8946 3.7476 3.7476 4.4423 4.4426 4.6211 4.6227 4.8432 4.8467 5.1015 5.1024 k =-0.1720 0.2753 0.3247 ( 8032 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2151 -21.2149 -21.2070 -21.2068 -20.8543 -20.8542 -20.8495 -20.8495 -20.8225 -20.8222 -20.8080 -20.8078 -8.3927 -8.3927 -7.8150 -7.8150 -7.6860 -7.6859 -7.6781 -7.6781 -3.7473 -3.7471 -3.5818 -3.5818 -3.4586 -3.4547 -3.1960 -3.1952 -2.9897 -2.9855 -2.7585 -2.7584 -2.6231 -2.6230 -2.2726 -2.2720 -2.2719 -2.2718 -2.0591 -2.0578 -2.0373 -2.0366 -1.8892 -1.8880 3.7569 3.7570 4.4173 4.4175 4.5522 4.5535 4.8351 4.8383 5.1065 5.1074 k =-0.1630 0.2608 0.3076 ( 8032 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2152 -21.2150 -21.2068 -21.2066 -20.8543 -20.8542 -20.8493 -20.8493 -20.8227 -20.8225 -20.8077 -20.8075 -8.4135 -8.4135 -7.8090 -7.8090 -7.6840 -7.6840 -7.6790 -7.6789 -3.7302 -3.7300 -3.5726 -3.5725 -3.4662 -3.4627 -3.2092 -3.2084 -2.9841 -2.9802 -2.7553 -2.7553 -2.5934 -2.5933 -2.2713 -2.2710 -2.2698 -2.2694 -2.0482 -2.0468 -2.0380 -2.0373 -1.8832 -1.8820 3.7657 3.7658 4.3909 4.3910 4.4841 4.4852 4.8277 4.8306 5.1083 5.1091 k =-0.1539 0.2463 0.2905 ( 8032 PWs) bands (ev): -39.9199 -39.9199 -39.9185 -39.9185 -21.2153 -21.2151 -21.2066 -21.2064 -20.8542 -20.8542 -20.8491 -20.8491 -20.8230 -20.8228 -20.8075 -20.8073 -8.4339 -8.4339 -7.8036 -7.8036 -7.6901 -7.6901 -7.6726 -7.6725 -3.7103 -3.7101 -3.5634 -3.5631 -3.4737 -3.4706 -3.2215 -3.2208 -2.9788 -2.9751 -2.7532 -2.7532 -2.5633 -2.5631 -2.2699 -2.2695 -2.2674 -2.2670 -2.0383 -2.0372 -2.0366 -2.0356 -1.8778 -1.8766 3.7740 3.7741 4.3634 4.3635 4.4177 4.4188 4.8209 4.8236 5.1075 5.1082 k =-0.1449 0.2319 0.2734 ( 8026 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2154 -21.2152 -21.2064 -21.2062 -20.8542 -20.8542 -20.8489 -20.8489 -20.8232 -20.8230 -20.8073 -20.8071 -8.4539 -8.4539 -7.7987 -7.7987 -7.6967 -7.6967 -7.6665 -7.6664 -3.6879 -3.6877 -3.5543 -3.5538 -3.4809 -3.4783 -3.2327 -3.2320 -2.9737 -2.9703 -2.7521 -2.7521 -2.5330 -2.5328 -2.2679 -2.2675 -2.2650 -2.2646 -2.0360 -2.0353 -2.0263 -2.0249 -1.8731 -1.8719 3.7818 3.7818 4.3351 4.3352 4.3538 4.3548 4.8145 4.8170 5.1046 5.1052 k =-0.1358 0.2174 0.2563 ( 8018 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2154 -21.2152 -21.2062 -21.2061 -20.8541 -20.8541 -20.8487 -20.8487 -20.8235 -20.8232 -20.8071 -20.8069 -8.4733 -8.4733 -7.7944 -7.7944 -7.7037 -7.7036 -7.6609 -7.6608 -3.6634 -3.6632 -3.5457 -3.5448 -3.4875 -3.4856 -3.2426 -3.2418 -2.9689 -2.9658 -2.7523 -2.7522 -2.5031 -2.5029 -2.2656 -2.2651 -2.2627 -2.2622 -2.0329 -2.0322 -2.0156 -2.0141 -1.8691 -1.8678 3.7890 3.7890 4.2926 4.2933 4.3064 4.3066 4.8086 4.8110 5.1001 5.1007 k =-0.1268 0.2029 0.2392 ( 8020 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2155 -21.2153 -21.2060 -21.2059 -20.8541 -20.8541 -20.8485 -20.8485 -20.8237 -20.8235 -20.8069 -20.8067 -8.4920 -8.4920 -7.7905 -7.7905 -7.7108 -7.7108 -7.6557 -7.6556 -3.6374 -3.6372 -3.5382 -3.5367 -3.4930 -3.4919 -3.2509 -3.2501 -2.9644 -2.9615 -2.7539 -2.7539 -2.4739 -2.4737 -2.2630 -2.2625 -2.2605 -2.2600 -2.0283 -2.0276 -2.0051 -2.0035 -1.8657 -1.8644 3.7957 3.7957 4.2346 4.2354 4.2774 4.2775 4.8031 4.8054 5.0945 5.0950 k =-0.1177 0.1884 0.2221 ( 8016 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2155 -21.2154 -21.2059 -21.2057 -20.8541 -20.8540 -20.8483 -20.8483 -20.8239 -20.8237 -20.8067 -20.8065 -8.5098 -8.5098 -7.7870 -7.7870 -7.7181 -7.7181 -7.6509 -7.6508 -3.6104 -3.6102 -3.5329 -3.5306 -3.4962 -3.4962 -3.2573 -3.2565 -2.9602 -2.9576 -2.7572 -2.7572 -2.4459 -2.4456 -2.2602 -2.2597 -2.2582 -2.2578 -2.0221 -2.0214 -1.9947 -1.9930 -1.8630 -1.8616 3.8018 3.8018 4.1802 4.1809 4.2485 4.2487 4.7981 4.8002 5.0880 5.0884 k =-0.1087 0.1739 0.2050 ( 8016 PWs) bands (ev): -39.9200 -39.9200 -39.9184 -39.9184 -21.2156 -21.2154 -21.2057 -21.2056 -20.8540 -20.8540 -20.8481 -20.8481 -20.8241 -20.8239 -20.8065 -20.8064 -8.5267 -8.5267 -7.7840 -7.7840 -7.7254 -7.7254 -7.6465 -7.6465 -3.5832 -3.5830 -3.5311 -3.5281 -3.4969 -3.4959 -3.2613 -3.2605 -2.9564 -2.9540 -2.7623 -2.7623 -2.4193 -2.4190 -2.2574 -2.2568 -2.2561 -2.2556 -2.0143 -2.0137 -1.9846 -1.9829 -1.8610 -1.8596 3.8074 3.8075 4.1296 4.1302 4.2201 4.2203 4.7934 4.7955 5.0810 5.0813 k =-0.0996 0.1594 0.1880 ( 8006 PWs) bands (ev): -39.9200 -39.9200 -39.9184 -39.9184 -21.2156 -21.2155 -21.2055 -21.2054 -20.8539 -20.8539 -20.8479 -20.8479 -20.8243 -20.8242 -20.8063 -20.8062 -8.5427 -8.5427 -7.7814 -7.7814 -7.7325 -7.7325 -7.6426 -7.6425 -3.5567 -3.5567 -3.5326 -3.5297 -3.4934 -3.4921 -3.2623 -3.2615 -2.9529 -2.9508 -2.7693 -2.7693 -2.3946 -2.3943 -2.2547 -2.2541 -2.2539 -2.2534 -2.0050 -2.0044 -1.9748 -1.9731 -1.8597 -1.8582 3.8126 3.8126 4.0828 4.0834 4.1924 4.1926 4.7892 4.7911 5.0738 5.0740 k =-0.0905 0.1449 0.1709 ( 8000 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2156 -21.2155 -21.2054 -21.2052 -20.8539 -20.8539 -20.8477 -20.8477 -20.8245 -20.8244 -20.8062 -20.8061 -8.5575 -8.5575 -7.7791 -7.7791 -7.7394 -7.7394 -7.6390 -7.6389 -3.5384 -3.5338 -3.5318 -3.5298 -3.4875 -3.4863 -3.2597 -3.2589 -2.9497 -2.9478 -2.7784 -2.7783 -2.3720 -2.3717 -2.2522 -2.2517 -2.2515 -2.2513 -1.9943 -1.9937 -1.9654 -1.9636 -1.8590 -1.8575 3.8172 3.8173 4.0401 4.0407 4.1658 4.1660 4.7853 4.7871 5.0665 5.0666 k =-0.0815 0.1304 0.1538 ( 7990 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2155 -21.2052 -21.2051 -20.8538 -20.8538 -20.8475 -20.8475 -20.8247 -20.8245 -20.8060 -20.8059 -8.5712 -8.5712 -7.7772 -7.7772 -7.7459 -7.7459 -7.6358 -7.6358 -3.5416 -3.5387 -3.5097 -3.5089 -3.4808 -3.4798 -3.2527 -3.2519 -2.9468 -2.9452 -2.7895 -2.7894 -2.3517 -2.3514 -2.2499 -2.2495 -2.2493 -2.2490 -1.9825 -1.9820 -1.9563 -1.9545 -1.8589 -1.8574 3.8214 3.8215 4.0017 4.0022 4.1406 4.1408 4.7817 4.7834 5.0593 5.0594 k =-0.0724 0.1159 0.1367 ( 8006 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2051 -21.2050 -20.8538 -20.8538 -20.8473 -20.8473 -20.8248 -20.8247 -20.8059 -20.8058 -8.5836 -8.5836 -7.7758 -7.7758 -7.7518 -7.7518 -7.6331 -7.6330 -3.5461 -3.5436 -3.4914 -3.4906 -3.4740 -3.4732 -3.2408 -3.2401 -2.9443 -2.9429 -2.8027 -2.8027 -2.3339 -2.3335 -2.2478 -2.2474 -2.2474 -2.2469 -1.9701 -1.9696 -1.9476 -1.9459 -1.8595 -1.8579 3.8251 3.8252 3.9673 3.9677 4.1170 4.1173 4.7783 4.7798 5.0524 5.0526 k =-0.0634 0.1014 0.1196 ( 7998 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2050 -21.2049 -20.8537 -20.8537 -20.8472 -20.8472 -20.8250 -20.8249 -20.8058 -20.8057 -8.5947 -8.5947 -7.7749 -7.7749 -7.7569 -7.7569 -7.6307 -7.6306 -3.5504 -3.5483 -3.4775 -3.4767 -3.4671 -3.4666 -3.2240 -3.2233 -2.9422 -2.9410 -2.8180 -2.8179 -2.3185 -2.3180 -2.2459 -2.2456 -2.2455 -2.2450 -1.9575 -1.9570 -1.9394 -1.9377 -1.8605 -1.8589 3.8285 3.8286 3.9372 3.9375 4.0954 4.0956 4.7751 4.7765 5.0460 5.0467 k =-0.0543 0.0869 0.1025 ( 7998 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2156 -21.2049 -21.2048 -20.8537 -20.8537 -20.8470 -20.8470 -20.8251 -20.8250 -20.8057 -20.8056 -8.6045 -8.6045 -7.7748 -7.7748 -7.7609 -7.7609 -7.6286 -7.6285 -3.5543 -3.5526 -3.4681 -3.4673 -3.4602 -3.4599 -3.2029 -3.2022 -2.9403 -2.9393 -2.8352 -2.8351 -2.3054 -2.3050 -2.2441 -2.2439 -2.2438 -2.2434 -1.9452 -1.9447 -1.9316 -1.9300 -1.8620 -1.8604 3.8314 3.8315 3.9112 3.9115 4.0760 4.0762 4.7722 4.7735 5.0399 5.0413 k =-0.0453 0.0725 0.0854 ( 7998 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2157 -21.2048 -21.2047 -20.8537 -20.8537 -20.8469 -20.8469 -20.8252 -20.8251 -20.8056 -20.8056 -8.6128 -8.6128 -7.7756 -7.7756 -7.7635 -7.7635 -7.6268 -7.6268 -3.5577 -3.5563 -3.4619 -3.4612 -3.4541 -3.4539 -3.1785 -3.1780 -2.9388 -2.9379 -2.8541 -2.8539 -2.2947 -2.2943 -2.2426 -2.2424 -2.2423 -2.2419 -1.9337 -1.9332 -1.9244 -1.9229 -1.8640 -1.8624 3.8340 3.8341 3.8894 3.8897 4.0590 4.0592 4.7695 4.7706 5.0348 5.0373 k =-0.0362 0.0580 0.0683 ( 7997 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2157 -21.2157 -21.2047 -21.2047 -20.8536 -20.8536 -20.8468 -20.8468 -20.8253 -20.8252 -20.8056 -20.8055 -8.6197 -8.6197 -7.7773 -7.7773 -7.7648 -7.7648 -7.6254 -7.6254 -3.5605 -3.5594 -3.4576 -3.4570 -3.4495 -3.4493 -3.1525 -3.1520 -2.9376 -2.9369 -2.8740 -2.8739 -2.2861 -2.2858 -2.2413 -2.2410 -2.2410 -2.2407 -1.9238 -1.9231 -1.9176 -1.9164 -1.8661 -1.8646 3.8361 3.8362 3.8717 3.8719 4.0447 4.0449 4.7672 4.7681 5.0309 5.0338 k =-0.0272 0.0435 0.0513 ( 8005 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2047 -21.2046 -20.8536 -20.8536 -20.8468 -20.8468 -20.8254 -20.8253 -20.8055 -20.8055 -8.6251 -8.6251 -7.7793 -7.7793 -7.7652 -7.7652 -7.6244 -7.6243 -3.5628 -3.5619 -3.4544 -3.4541 -3.4462 -3.4461 -3.1265 -3.1260 -2.9368 -2.9363 -2.8942 -2.8940 -2.2797 -2.2794 -2.2402 -2.2400 -2.2399 -2.2396 -1.9159 -1.9150 -1.9114 -1.9107 -1.8684 -1.8671 3.8377 3.8378 3.8580 3.8582 4.0334 4.0335 4.7653 4.7660 5.0261 5.0271 k =-0.0181 0.0290 0.0342 ( 8009 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8536 -20.8536 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6289 -8.6289 -7.7809 -7.7809 -7.7653 -7.7653 -7.6236 -7.6236 -3.5644 -3.5638 -3.4524 -3.4521 -3.4441 -3.4440 -3.1028 -3.1025 -2.9368 -2.9365 -2.9126 -2.9125 -2.2752 -2.2750 -2.2394 -2.2392 -2.2391 -2.2389 -1.9101 -1.9091 -1.9062 -1.9060 -1.8705 -1.8694 3.8388 3.8388 3.8485 3.8486 4.0252 4.0253 4.7638 4.7643 5.0234 5.0252 k =-0.0091 0.0145 0.0171 ( 8013 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8535 -20.8535 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6313 -8.6313 -7.7820 -7.7820 -7.7653 -7.7653 -7.6231 -7.6231 -3.5653 -3.5650 -3.4511 -3.4510 -3.4429 -3.4428 -3.0850 -3.0848 -2.9387 -2.9385 -2.9251 -2.9250 -2.2726 -2.2725 -2.2388 -2.2388 -2.2385 -2.2384 -1.9064 -1.9058 -1.9027 -1.9026 -1.8720 -1.8713 3.8387 3.8387 3.8435 3.8435 4.0202 4.0202 4.7630 4.7632 5.0215 5.0241 k = 0.0000 0.0000 0.0000 ( 8015 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8535 -20.8535 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6321 -8.6321 -7.7823 -7.7823 -7.7653 -7.7653 -7.6230 -7.6230 -3.5655 -3.5655 -3.4507 -3.4507 -3.4425 -3.4425 -3.0781 -3.0781 -2.9409 -2.9409 -2.9285 -2.9285 -2.2717 -2.2717 -2.2386 -2.2386 -2.2383 -2.2383 -1.9049 -1.9049 -1.9014 -1.9014 -1.8723 -1.8723 3.8382 3.8382 3.8424 3.8424 4.0185 4.0185 4.7627 4.7627 5.0208 5.0221 k = 0.0000 0.0000 0.0000 ( 8015 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8535 -20.8535 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6321 -8.6321 -7.7823 -7.7823 -7.7653 -7.7653 -7.6230 -7.6230 -3.5655 -3.5655 -3.4507 -3.4507 -3.4425 -3.4425 -3.0781 -3.0781 -2.9409 -2.9409 -2.9285 -2.9285 -2.2717 -2.2717 -2.2386 -2.2386 -2.2383 -2.2383 -1.9049 -1.9049 -1.9014 -1.9014 -1.8723 -1.8723 3.8382 3.8382 3.8424 3.8424 4.0185 4.0185 4.7627 4.7627 5.0216 5.0245 k = 0.0208 0.0130 0.0000 ( 8003 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2046 -21.2046 -20.8535 -20.8535 -20.8467 -20.8467 -20.8254 -20.8254 -20.8055 -20.8055 -8.6313 -8.6313 -7.7835 -7.7835 -7.7652 -7.7652 -7.6231 -7.6231 -3.5643 -3.5643 -3.4512 -3.4512 -3.4430 -3.4430 -3.0764 -3.0764 -2.9401 -2.9400 -2.9276 -2.9276 -2.2728 -2.2728 -2.2384 -2.2384 -2.2381 -2.2381 -1.9054 -1.9054 -1.9019 -1.9019 -1.8737 -1.8737 3.8365 3.8365 3.8407 3.8407 4.0191 4.0191 4.7615 4.7615 5.0220 5.0228 k = 0.0417 0.0260 0.0000 ( 8003 PWs) bands (ev): -39.9201 -39.9201 -39.9183 -39.9183 -21.2157 -21.2157 -21.2047 -21.2047 -20.8535 -20.8535 -20.8468 -20.8468 -20.8253 -20.8253 -20.8055 -20.8055 -8.6290 -8.6290 -7.7871 -7.7871 -7.7649 -7.7649 -7.6234 -7.6234 -3.5608 -3.5608 -3.4527 -3.4527 -3.4446 -3.4446 -3.0715 -3.0715 -2.9375 -2.9375 -2.9252 -2.9252 -2.2764 -2.2764 -2.2378 -2.2378 -2.2375 -2.2375 -1.9068 -1.9068 -1.9033 -1.9033 -1.8781 -1.8781 3.8317 3.8317 3.8358 3.8358 4.0209 4.0209 4.7578 4.7578 5.0250 5.0307 k = 0.0625 0.0391 0.0000 ( 8007 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2156 -21.2156 -21.2047 -21.2047 -20.8535 -20.8535 -20.8468 -20.8468 -20.8252 -20.8252 -20.8056 -20.8056 -8.6252 -8.6252 -7.7931 -7.7931 -7.7644 -7.7644 -7.6241 -7.6241 -3.5549 -3.5549 -3.4551 -3.4551 -3.4472 -3.4472 -3.0634 -3.0634 -2.9332 -2.9332 -2.9212 -2.9212 -2.2824 -2.2824 -2.2368 -2.2368 -2.2365 -2.2365 -1.9092 -1.9092 -1.9057 -1.9057 -1.8853 -1.8853 3.8237 3.8237 3.8277 3.8277 4.0239 4.0239 4.7518 4.7518 5.0304 5.0317 k = 0.0833 0.0521 0.0000 ( 7999 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2155 -21.2155 -21.2047 -21.2047 -20.8535 -20.8535 -20.8468 -20.8468 -20.8251 -20.8251 -20.8057 -20.8057 -8.6199 -8.6199 -7.8013 -7.8013 -7.7637 -7.7637 -7.6250 -7.6250 -3.5466 -3.5466 -3.4584 -3.4584 -3.4507 -3.4507 -3.0521 -3.0521 -2.9275 -2.9274 -2.9157 -2.9157 -2.2908 -2.2908 -2.2355 -2.2354 -2.2352 -2.2351 -1.9125 -1.9125 -1.9090 -1.9090 -1.8952 -1.8952 3.8129 3.8129 3.8167 3.8167 4.0281 4.0281 4.7434 4.7434 5.0368 5.0421 k = 0.1042 0.0651 0.0000 ( 7991 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2154 -21.2154 -21.2048 -21.2048 -20.8534 -20.8534 -20.8469 -20.8469 -20.8249 -20.8249 -20.8059 -20.8059 -8.6131 -8.6131 -7.8117 -7.8117 -7.7629 -7.7629 -7.6263 -7.6263 -3.5360 -3.5360 -3.4624 -3.4624 -3.4551 -3.4551 -3.0378 -3.0378 -2.9203 -2.9203 -2.9088 -2.9088 -2.3017 -2.3017 -2.2337 -2.2336 -2.2334 -2.2333 -1.9168 -1.9168 -1.9131 -1.9131 -1.9077 -1.9077 3.7993 3.7993 3.8030 3.8030 4.0334 4.0334 4.7329 4.7329 5.0457 5.0509 k = 0.1250 0.0781 0.0000 ( 7999 PWs) bands (ev): -39.9200 -39.9200 -39.9183 -39.9183 -21.2153 -21.2153 -21.2050 -21.2050 -20.8533 -20.8533 -20.8470 -20.8470 -20.8246 -20.8246 -20.8062 -20.8062 -8.6048 -8.6048 -7.8241 -7.8241 -7.7619 -7.7619 -7.6279 -7.6279 -3.5230 -3.5230 -3.4671 -3.4671 -3.4601 -3.4601 -3.0206 -3.0206 -2.9118 -2.9118 -2.9008 -2.9008 -2.3151 -2.3151 -2.2316 -2.2315 -2.2313 -2.2312 -1.9243 -1.9243 -1.9203 -1.9203 -1.9182 -1.9181 3.7834 3.7834 3.7868 3.7868 4.0399 4.0399 4.7204 4.7204 5.0560 5.0562 k = 0.1458 0.0911 0.0000 ( 8011 PWs) bands (ev): -39.9200 -39.9200 -39.9184 -39.9184 -21.2152 -21.2152 -21.2052 -21.2052 -20.8532 -20.8532 -20.8471 -20.8471 -20.8243 -20.8243 -20.8065 -20.8065 -8.5951 -8.5951 -7.8385 -7.8385 -7.7606 -7.7606 -7.6300 -7.6300 -3.5076 -3.5076 -3.4723 -3.4723 -3.4657 -3.4657 -3.0008 -3.0008 -2.9023 -2.9023 -2.8918 -2.8918 -2.3311 -2.3311 -2.2291 -2.2290 -2.2288 -2.2287 -1.9407 -1.9407 -1.9270 -1.9270 -1.9240 -1.9240 3.7654 3.7654 3.7686 3.7686 4.0476 4.0476 4.7060 4.7060 5.0683 5.0718 k = 0.1667 0.1041 0.0000 ( 8003 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2150 -21.2150 -21.2053 -21.2053 -20.8531 -20.8531 -20.8472 -20.8472 -20.8240 -20.8240 -20.8068 -20.8068 -8.5839 -8.5839 -7.8545 -7.8545 -7.7592 -7.7592 -7.6325 -7.6325 -3.4901 -3.4901 -3.4777 -3.4777 -3.4716 -3.4715 -2.9784 -2.9784 -2.8919 -2.8919 -2.8819 -2.8819 -2.3497 -2.3497 -2.2263 -2.2262 -2.2260 -2.2259 -1.9601 -1.9601 -1.9336 -1.9336 -1.9305 -1.9305 3.7457 3.7457 3.7488 3.7488 4.0565 4.0565 4.6900 4.6900 5.0813 5.0844 k = 0.1875 0.1172 0.0000 ( 7963 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2147 -21.2147 -21.2055 -21.2055 -20.8530 -20.8530 -20.8473 -20.8473 -20.8236 -20.8236 -20.8071 -20.8071 -8.5713 -8.5713 -7.8722 -7.8722 -7.7575 -7.7575 -7.6354 -7.6354 -3.4840 -3.4839 -3.4783 -3.4783 -3.4690 -3.4690 -2.9536 -2.9536 -2.8808 -2.8808 -2.8713 -2.8713 -2.3709 -2.3709 -2.2231 -2.2230 -2.2228 -2.2227 -1.9813 -1.9813 -1.9407 -1.9407 -1.9377 -1.9377 3.7249 3.7249 3.7277 3.7277 4.0665 4.0665 4.6725 4.6725 5.0960 5.0996 k = 0.2083 0.1302 0.0000 ( 7971 PWs) bands (ev): -39.9199 -39.9199 -39.9184 -39.9184 -21.2145 -21.2145 -21.2057 -21.2057 -20.8529 -20.8529 -20.8475 -20.8475 -20.8232 -20.8232 -20.8075 -20.8075 -8.5574 -8.5574 -7.8915 -7.8915 -7.7557 -7.7557 -7.6387 -7.6387 -3.4898 -3.4898 -3.4845 -3.4845 -3.4468 -3.4468 -2.9268 -2.9268 -2.8693 -2.8693 -2.8603 -2.8603 -2.3947 -2.3947 -2.2196 -2.2195 -2.2194 -2.2192 -2.0043 -2.0043 -1.9485 -1.9485 -1.9455 -1.9455 3.7031 3.7031 3.7057 3.7057 4.0775 4.0775 4.6536 4.6536 5.1113 5.1128 k = 0.2292 0.1432 0.0000 ( 7987 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2143 -21.2143 -21.2060 -21.2060 -20.8527 -20.8527 -20.8477 -20.8477 -20.8227 -20.8227 -20.8079 -20.8079 -8.5422 -8.5422 -7.9122 -7.9122 -7.7536 -7.7536 -7.6424 -7.6424 -3.4958 -3.4958 -3.4909 -3.4909 -3.4221 -3.4221 -2.8981 -2.8981 -2.8574 -2.8574 -2.8490 -2.8490 -2.4212 -2.4212 -2.2159 -2.2157 -2.2157 -2.2155 -2.0289 -2.0289 -1.9568 -1.9568 -1.9538 -1.9538 3.6809 3.6809 3.6832 3.6832 4.0897 4.0897 4.6335 4.6335 5.1276 5.1284 k = 0.2500 0.1562 0.0000 ( 8011 PWs) bands (ev): -39.9198 -39.9198 -39.9185 -39.9185 -21.2141 -21.2141 -21.2063 -21.2063 -20.8526 -20.8526 -20.8479 -20.8479 -20.8223 -20.8223 -20.8084 -20.8084 -8.5257 -8.5257 -7.9341 -7.9341 -7.7513 -7.7513 -7.6464 -7.6464 -3.5018 -3.5018 -3.4972 -3.4972 -3.3951 -3.3950 -2.8677 -2.8677 -2.8453 -2.8453 -2.8377 -2.8377 -2.4502 -2.4502 -2.2119 -2.2117 -2.2117 -2.2115 -2.0548 -2.0548 -1.9655 -1.9655 -1.9627 -1.9626 3.6586 3.6586 3.6607 3.6607 4.1029 4.1029 4.6125 4.6125 5.1436 5.1450 k = 0.2708 0.1692 0.0000 ( 8043 PWs) bands (ev): -39.9198 -39.9198 -39.9186 -39.9186 -21.2139 -21.2139 -21.2066 -21.2066 -20.8525 -20.8525 -20.8481 -20.8481 -20.8219 -20.8219 -20.8089 -20.8089 -8.5080 -8.5080 -7.9572 -7.9572 -7.7488 -7.7488 -7.6507 -7.6507 -3.5076 -3.5075 -3.5034 -3.5034 -3.3659 -3.3659 -2.8377 -2.8376 -2.8315 -2.8315 -2.8264 -2.8264 -2.4817 -2.4817 -2.2076 -2.2075 -2.2075 -2.2073 -2.0820 -2.0820 -1.9745 -1.9745 -1.9718 -1.9718 3.6365 3.6365 3.6384 3.6384 4.1172 4.1172 4.5906 4.5906 5.1608 5.1620 k = 0.2917 0.1822 0.0000 ( 8047 PWs) bands (ev): -39.9197 -39.9197 -39.9186 -39.9186 -21.2136 -21.2136 -21.2068 -21.2068 -20.8523 -20.8523 -20.8482 -20.8482 -20.8214 -20.8214 -20.8094 -20.8094 -8.4890 -8.4890 -7.9813 -7.9813 -7.7461 -7.7461 -7.6553 -7.6553 -3.5131 -3.5130 -3.5094 -3.5093 -3.3345 -3.3345 -2.8227 -2.8226 -2.8154 -2.8154 -2.8015 -2.8015 -2.5155 -2.5155 -2.2032 -2.2030 -2.2030 -2.2029 -2.1102 -2.1102 -1.9837 -1.9837 -1.9811 -1.9811 3.6152 3.6152 3.6169 3.6169 4.1325 4.1325 4.5681 4.5681 5.1771 5.1792 k = 0.3125 0.1953 0.0000 ( 8055 PWs) bands (ev): -39.9197 -39.9197 -39.9187 -39.9187 -21.2133 -21.2133 -21.2071 -21.2071 -20.8522 -20.8522 -20.8484 -20.8484 -20.8209 -20.8209 -20.8099 -20.8099 -8.4690 -8.4690 -8.0062 -8.0062 -7.7431 -7.7431 -7.6601 -7.6601 -3.5182 -3.5182 -3.5149 -3.5149 -3.3012 -3.3012 -2.8112 -2.8112 -2.8049 -2.8048 -2.7674 -2.7674 -2.5514 -2.5514 -2.1986 -2.1984 -2.1984 -2.1983 -2.1394 -2.1394 -1.9930 -1.9930 -1.9905 -1.9905 3.5949 3.5949 3.5963 3.5963 4.1487 4.1487 4.5450 4.5450 5.1929 5.1941 k = 0.3333 0.2083 0.0000 ( 8055 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2130 -21.2130 -21.2075 -21.2075 -20.8520 -20.8520 -20.8486 -20.8486 -20.8203 -20.8203 -20.8104 -20.8104 -8.4478 -8.4478 -8.0319 -8.0319 -7.7399 -7.7399 -7.6651 -7.6651 -3.5230 -3.5230 -3.5201 -3.5201 -3.2659 -3.2659 -2.8006 -2.8006 -2.7949 -2.7949 -2.7321 -2.7321 -2.5893 -2.5893 -2.1938 -2.1937 -2.1936 -2.1936 -2.1695 -2.1695 -2.0021 -2.0021 -1.9998 -1.9998 3.5758 3.5758 3.5771 3.5771 4.1659 4.1659 4.5215 4.5215 5.2084 5.2090 k = 0.3542 0.2213 0.0000 ( 8043 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2127 -21.2127 -21.2078 -21.2078 -20.8518 -20.8518 -20.8488 -20.8488 -20.8197 -20.8197 -20.8110 -20.8110 -8.4257 -8.4257 -8.0581 -8.0581 -7.7365 -7.7365 -7.6703 -7.6703 -3.5273 -3.5273 -3.5248 -3.5248 -3.2290 -3.2290 -2.7907 -2.7907 -2.7857 -2.7857 -2.6961 -2.6961 -2.6290 -2.6290 -2.2005 -2.2005 -2.1890 -2.1890 -2.1888 -2.1888 -2.0111 -2.0111 -2.0090 -2.0089 3.5584 3.5584 3.5595 3.5595 4.1840 4.1840 4.4976 4.4976 5.2229 5.2243 k = 0.3750 0.2343 0.0000 ( 8035 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2123 -21.2123 -21.2081 -21.2081 -20.8516 -20.8516 -20.8490 -20.8490 -20.8191 -20.8191 -20.8116 -20.8116 -8.4026 -8.4026 -8.0849 -8.0849 -7.7328 -7.7328 -7.6755 -7.6755 -3.5312 -3.5311 -3.5290 -3.5290 -3.1903 -3.1903 -2.7818 -2.7817 -2.7775 -2.7774 -2.6701 -2.6701 -2.6596 -2.6596 -2.2323 -2.2323 -2.1843 -2.1843 -2.1841 -2.1841 -2.0196 -2.0196 -2.0177 -2.0177 3.5428 3.5428 3.5438 3.5438 4.2029 4.2029 4.4736 4.4736 5.2359 5.2375 k = 0.3958 0.2473 0.0000 ( 8039 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2120 -21.2120 -21.2085 -21.2085 -20.8514 -20.8514 -20.8493 -20.8493 -20.8185 -20.8185 -20.8122 -20.8122 -8.3787 -8.3787 -8.1121 -8.1121 -7.7289 -7.7289 -7.6807 -7.6807 -3.5344 -3.5344 -3.5326 -3.5326 -3.1503 -3.1503 -2.7739 -2.7739 -2.7703 -2.7703 -2.7126 -2.7126 -2.6227 -2.6227 -2.2649 -2.2649 -2.1798 -2.1798 -2.1796 -2.1795 -2.0275 -2.0275 -2.0258 -2.0258 3.5293 3.5293 3.5300 3.5300 4.2225 4.2225 4.4495 4.4495 5.2478 5.2485 k = 0.4167 0.2604 0.0000 ( 8035 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2117 -21.2117 -21.2088 -21.2088 -20.8512 -20.8512 -20.8495 -20.8495 -20.8179 -20.8179 -20.8128 -20.8128 -8.3540 -8.3540 -8.1395 -8.1395 -7.7248 -7.7248 -7.6860 -7.6860 -3.5371 -3.5371 -3.5357 -3.5357 -3.1090 -3.1090 -2.7672 -2.7672 -2.7645 -2.7645 -2.7558 -2.7558 -2.5856 -2.5856 -2.2983 -2.2983 -2.1756 -2.1756 -2.1754 -2.1753 -2.0345 -2.0345 -2.0331 -2.0331 3.5179 3.5179 3.5185 3.5185 4.2430 4.2430 4.4254 4.4254 5.2576 5.2579 k = 0.4375 0.2734 0.0000 ( 8023 PWs) bands (ev): -39.9194 -39.9194 -39.9190 -39.9190 -21.2113 -21.2113 -21.2091 -21.2091 -20.8510 -20.8510 -20.8497 -20.8497 -20.8172 -20.8172 -20.8134 -20.8134 -8.3286 -8.3286 -8.1670 -8.1670 -7.7205 -7.7205 -7.6912 -7.6912 -3.5392 -3.5392 -3.5381 -3.5381 -3.0665 -3.0665 -2.8002 -2.8002 -2.7618 -2.7617 -2.7595 -2.7595 -2.5486 -2.5486 -2.3324 -2.3324 -2.1719 -2.1719 -2.1717 -2.1717 -2.0404 -2.0404 -2.0393 -2.0393 3.5090 3.5090 3.5094 3.5094 4.2641 4.2641 4.4014 4.4014 5.2651 5.2656 k = 0.4583 0.2864 0.0000 ( 8011 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2109 -21.2109 -21.2095 -21.2095 -20.8508 -20.8508 -20.8499 -20.8499 -20.8165 -20.8165 -20.8140 -20.8140 -8.3026 -8.3026 -8.1945 -8.1945 -7.7160 -7.7160 -7.6964 -7.6964 -3.5406 -3.5406 -3.5399 -3.5399 -3.0231 -3.0231 -2.8448 -2.8448 -2.7577 -2.7577 -2.7562 -2.7562 -2.5116 -2.5116 -2.3671 -2.3671 -2.1691 -2.1690 -2.1689 -2.1688 -2.0449 -2.0448 -2.0441 -2.0441 3.5025 3.5026 3.5028 3.5029 4.2858 4.2858 4.3776 4.3776 5.2711 5.2715 k = 0.4792 0.2994 0.0000 ( 8015 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2105 -21.2105 -21.2099 -21.2099 -20.8505 -20.8505 -20.8501 -20.8501 -20.8159 -20.8159 -20.8147 -20.8147 -8.2761 -8.2761 -8.2220 -8.2220 -7.7113 -7.7113 -7.7015 -7.7015 -3.5414 -3.5414 -3.5411 -3.5410 -2.9790 -2.9790 -2.8897 -2.8897 -2.7551 -2.7551 -2.7543 -2.7543 -2.4748 -2.4748 -2.4026 -2.4026 -2.1672 -2.1672 -2.1670 -2.1670 -2.0476 -2.0476 -2.0472 -2.0472 3.4987 3.4987 3.4988 3.4988 4.3081 4.3081 4.3540 4.3540 5.2747 5.2750 k = 0.5000 0.3124 0.0000 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2102 -21.2102 -21.2102 -21.2102 -20.8503 -20.8503 -20.8503 -20.8503 -20.8153 -20.8153 -20.8153 -20.8153 -8.2493 -8.2493 -8.2492 -8.2492 -7.7065 -7.7065 -7.7064 -7.7064 -3.5416 -3.5416 -3.5416 -3.5416 -2.9345 -2.9345 -2.9345 -2.9345 -2.7540 -2.7540 -2.7539 -2.7539 -2.4385 -2.4385 -2.4384 -2.4384 -2.1666 -2.1666 -2.1664 -2.1664 -2.0484 -2.0484 -2.0484 -2.0484 3.4974 3.4974 3.4974 3.4974 4.3308 4.3308 4.3309 4.3309 5.2760 5.2760 k = 0.5000 0.3124 0.0000 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2102 -21.2102 -21.2102 -21.2102 -20.8503 -20.8503 -20.8503 -20.8503 -20.8153 -20.8153 -20.8153 -20.8153 -8.2493 -8.2493 -8.2492 -8.2492 -7.7065 -7.7065 -7.7064 -7.7064 -3.5416 -3.5416 -3.5416 -3.5416 -2.9345 -2.9345 -2.9345 -2.9345 -2.7540 -2.7540 -2.7539 -2.7539 -2.4385 -2.4385 -2.4384 -2.4384 -2.1666 -2.1666 -2.1664 -2.1664 -2.0484 -2.0484 -2.0484 -2.0484 3.4974 3.4974 3.4974 3.4974 4.3308 4.3308 4.3309 4.3309 5.2760 5.2760 k = 0.4909 0.3271 0.0173 ( 8018 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2102 -21.2102 -21.2102 -21.2102 -20.8504 -20.8504 -20.8503 -20.8503 -20.8153 -20.8153 -20.8153 -20.8152 -8.2487 -8.2487 -8.2485 -8.2485 -7.7068 -7.7068 -7.7063 -7.7063 -3.5419 -3.5419 -3.5412 -3.5411 -2.9349 -2.9348 -2.9347 -2.9346 -2.7577 -2.7577 -2.7541 -2.7540 -2.4421 -2.4419 -2.4370 -2.4370 -2.1669 -2.1669 -2.1660 -2.1660 -2.0489 -2.0489 -2.0463 -2.0462 3.4975 3.4975 3.4996 3.4997 4.3320 4.3320 4.3326 4.3326 5.2759 5.2764 k = 0.4817 0.3417 0.0345 ( 8018 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2102 -21.2102 -21.2102 -20.8505 -20.8505 -20.8503 -20.8502 -20.8154 -20.8154 -20.8152 -20.8152 -8.2472 -8.2472 -8.2462 -8.2462 -7.7077 -7.7077 -7.7060 -7.7060 -3.5428 -3.5428 -3.5400 -3.5398 -2.9359 -2.9358 -2.9354 -2.9352 -2.7685 -2.7685 -2.7547 -2.7544 -2.4522 -2.4518 -2.4331 -2.4329 -2.1677 -2.1677 -2.1648 -2.1647 -2.0502 -2.0502 -2.0404 -2.0402 3.4978 3.4978 3.5063 3.5064 4.3353 4.3354 4.3379 4.3379 5.2756 5.2766 k = 0.4726 0.3563 0.0518 ( 8018 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2103 -21.2102 -21.2102 -20.8506 -20.8505 -20.8502 -20.8502 -20.8155 -20.8154 -20.8152 -20.8151 -8.2447 -8.2447 -8.2424 -8.2424 -7.7093 -7.7092 -7.7054 -7.7054 -3.5444 -3.5444 -3.5380 -3.5376 -2.9375 -2.9373 -2.9368 -2.9365 -2.7856 -2.7855 -2.7556 -2.7550 -2.4680 -2.4674 -2.4270 -2.4268 -2.1692 -2.1691 -2.1627 -2.1626 -2.0525 -2.0525 -2.0314 -2.0312 3.4983 3.4984 3.5175 3.5177 4.3408 4.3410 4.3467 4.3467 5.2728 5.2779 k = 0.4634 0.3710 0.0690 ( 8008 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2103 -21.2102 -21.2101 -20.8506 -20.8506 -20.8502 -20.8502 -20.8155 -20.8155 -20.8151 -20.8150 -8.2413 -8.2413 -8.2372 -8.2372 -7.7114 -7.7114 -7.7046 -7.7046 -3.5466 -3.5466 -3.5351 -3.5346 -2.9400 -2.9396 -2.9390 -2.9386 -2.8077 -2.8076 -2.7567 -2.7561 -2.4884 -2.4876 -2.4197 -2.4194 -2.1711 -2.1710 -2.1598 -2.1597 -2.0556 -2.0555 -2.0203 -2.0200 3.4991 3.4991 3.5333 3.5335 4.3485 4.3487 4.3589 4.3589 5.2713 5.2739 k = 0.4543 0.3856 0.0863 ( 8012 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2104 -21.2104 -21.2102 -21.2101 -20.8508 -20.8507 -20.8502 -20.8502 -20.8156 -20.8155 -20.8150 -20.8149 -8.2370 -8.2370 -8.2305 -8.2305 -7.7141 -7.7140 -7.7036 -7.7036 -3.5494 -3.5494 -3.5314 -3.5308 -2.9442 -2.9435 -2.9419 -2.9418 -2.8331 -2.8331 -2.7583 -2.7574 -2.5123 -2.5113 -2.4117 -2.4114 -2.1734 -2.1734 -2.1561 -2.1560 -2.0596 -2.0595 -2.0081 -2.0077 3.5001 3.5002 3.5537 3.5539 4.3580 4.3582 4.3742 4.3742 5.2686 5.2704 k = 0.4451 0.4002 0.1035 ( 8022 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2105 -21.2105 -21.2102 -21.2101 -20.8509 -20.8509 -20.8502 -20.8502 -20.8157 -20.8156 -20.8149 -20.8148 -8.2319 -8.2319 -8.2224 -8.2224 -7.7173 -7.7173 -7.7024 -7.7024 -3.5528 -3.5527 -3.5270 -3.5263 -2.9519 -2.9511 -2.9455 -2.9454 -2.8596 -2.8594 -2.7602 -2.7592 -2.5385 -2.5374 -2.4036 -2.4032 -2.1761 -2.1760 -2.1517 -2.1515 -2.0643 -2.0643 -1.9956 -1.9952 3.5015 3.5016 3.5786 3.5788 4.3692 4.3695 4.3925 4.3926 5.2653 5.2684 k = 0.4360 0.4149 0.1208 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2107 -21.2106 -21.2102 -21.2101 -20.8510 -20.8510 -20.8503 -20.8503 -20.8158 -20.8157 -20.8148 -20.8147 -8.2261 -8.2260 -8.2130 -8.2130 -7.7211 -7.7211 -7.7009 -7.7009 -3.5567 -3.5566 -3.5218 -3.5210 -2.9662 -2.9656 -2.9498 -2.9497 -2.8831 -2.8826 -2.7626 -2.7614 -2.5662 -2.5649 -2.3956 -2.3953 -2.1790 -2.1790 -2.1465 -2.1463 -2.0699 -2.0699 -1.9835 -1.9830 3.5033 3.5034 3.6083 3.6085 4.3820 4.3823 4.4136 4.4137 5.2615 5.2775 k = 0.4268 0.4295 0.1381 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2108 -21.2107 -21.2101 -21.2100 -20.8512 -20.8511 -20.8503 -20.8503 -20.8160 -20.8159 -20.8147 -20.8145 -8.2196 -8.2195 -8.2023 -8.2023 -7.7253 -7.7253 -7.6993 -7.6993 -3.5611 -3.5610 -3.5160 -3.5150 -2.9906 -2.9903 -2.9548 -2.9546 -2.8997 -2.8987 -2.7653 -2.7639 -2.5944 -2.5930 -2.3881 -2.3877 -2.1821 -2.1820 -2.1406 -2.1403 -2.0762 -2.0762 -1.9722 -1.9718 3.5055 3.5056 3.6426 3.6428 4.3960 4.3964 4.4373 4.4374 5.2573 5.2586 k = 0.4177 0.4441 0.1553 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2109 -21.2108 -21.2102 -21.2100 -20.8513 -20.8513 -20.8504 -20.8504 -20.8161 -20.8160 -20.8145 -20.8144 -8.2125 -8.2125 -8.1905 -8.1905 -7.7301 -7.7301 -7.6975 -7.6974 -3.5659 -3.5659 -3.5095 -3.5083 -3.0244 -3.0244 -2.9605 -2.9603 -2.9096 -2.9082 -2.7685 -2.7669 -2.6227 -2.6210 -2.3812 -2.3808 -2.1851 -2.1851 -2.1341 -2.1338 -2.0832 -2.0831 -1.9622 -1.9617 3.5083 3.5084 3.6816 3.6818 4.4111 4.4115 4.4631 4.4632 5.2525 5.2538 k = 0.4085 0.4588 0.1726 ( 8048 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2110 -21.2109 -21.2101 -21.2100 -20.8515 -20.8515 -20.8505 -20.8504 -20.8162 -20.8161 -20.8144 -20.8142 -8.2051 -8.2050 -8.1775 -8.1775 -7.7352 -7.7352 -7.6954 -7.6954 -3.5712 -3.5712 -3.5024 -3.5011 -3.0644 -3.0644 -2.9670 -2.9668 -2.9156 -2.9138 -2.7721 -2.7704 -2.6503 -2.6484 -2.3748 -2.3744 -2.1881 -2.1880 -2.1269 -2.1266 -2.0908 -2.0907 -1.9536 -1.9532 3.5116 3.5117 3.7251 3.7254 4.4269 4.4273 4.4909 4.4911 5.2475 5.2489 k = 0.3994 0.4734 0.1898 ( 8038 PWs) bands (ev): -39.9193 -39.9193 -39.9191 -39.9191 -21.2112 -21.2110 -21.2101 -21.2100 -20.8517 -20.8516 -20.8505 -20.8505 -20.8163 -20.8162 -20.8142 -20.8141 -8.1974 -8.1973 -8.1635 -8.1635 -7.7406 -7.7406 -7.6932 -7.6932 -3.5768 -3.5768 -3.4948 -3.4933 -3.1081 -3.1080 -2.9743 -2.9739 -2.9196 -2.9177 -2.7762 -2.7743 -2.6767 -2.6747 -2.3689 -2.3685 -2.1908 -2.1907 -2.1192 -2.1189 -2.0989 -2.0988 -1.9466 -1.9462 3.5155 3.5157 3.7733 3.7736 4.4433 4.4437 4.5203 4.5205 5.2421 5.2436 k = 0.3903 0.4881 0.2071 ( 8030 PWs) bands (ev): -39.9193 -39.9193 -39.9191 -39.9191 -21.2113 -21.2112 -21.2101 -21.2099 -20.8518 -20.8518 -20.8506 -20.8505 -20.8165 -20.8164 -20.8140 -20.8138 -8.1896 -8.1896 -8.1486 -8.1486 -7.7462 -7.7462 -7.6909 -7.6909 -3.5827 -3.5827 -3.4868 -3.4852 -3.1539 -3.1538 -2.9822 -2.9818 -2.9230 -2.9208 -2.7806 -2.7785 -2.7016 -2.6993 -2.3636 -2.3631 -2.1931 -2.1930 -2.1111 -2.1108 -2.1075 -2.1074 -1.9413 -1.9408 3.5201 3.5202 3.8258 3.8261 4.4599 4.4602 4.5509 4.5512 5.2365 5.2381 k = 0.3811 0.5027 0.2244 ( 8022 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2115 -21.2113 -21.2100 -21.2098 -20.8520 -20.8519 -20.8506 -20.8506 -20.8167 -20.8165 -20.8138 -20.8136 -8.1819 -8.1819 -8.1329 -8.1329 -7.7519 -7.7519 -7.6884 -7.6884 -3.5888 -3.5888 -3.4785 -3.4766 -3.2011 -3.2009 -2.9907 -2.9903 -2.9260 -2.9236 -2.7853 -2.7831 -2.7247 -2.7222 -2.3587 -2.3582 -2.1950 -2.1949 -2.1165 -2.1165 -2.1025 -2.1021 -1.9376 -1.9371 3.5253 3.5255 3.8824 3.8827 4.4765 4.4768 4.5824 4.5827 5.2308 5.2324 k = 0.3720 0.5173 0.2416 ( 8034 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2116 -21.2115 -21.2100 -21.2098 -20.8522 -20.8521 -20.8507 -20.8506 -20.8168 -20.8167 -20.8136 -20.8134 -8.1747 -8.1747 -8.1166 -8.1166 -7.7576 -7.7576 -7.6858 -7.6858 -3.5950 -3.5950 -3.4699 -3.4679 -3.2489 -3.2487 -2.9996 -2.9992 -2.9292 -2.9267 -2.7902 -2.7879 -2.7456 -2.7429 -2.3541 -2.3536 -2.1964 -2.1963 -2.1260 -2.1260 -2.0936 -2.0932 -1.9355 -1.9350 3.5312 3.5314 3.9430 3.9433 4.4928 4.4931 4.6142 4.6147 5.2249 5.2267 k = 0.3628 0.5320 0.2589 ( 8050 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2118 -21.2117 -21.2100 -21.2098 -20.8524 -20.8523 -20.8508 -20.8507 -20.8170 -20.8169 -20.8134 -20.8132 -8.1680 -8.1680 -8.0997 -8.0996 -7.7631 -7.7631 -7.6831 -7.6831 -3.6013 -3.6012 -3.4614 -3.4591 -3.2969 -3.2967 -3.0086 -3.0083 -2.9328 -2.9302 -2.7952 -2.7927 -2.7644 -2.7615 -2.3498 -2.3492 -2.1971 -2.1970 -2.1357 -2.1356 -2.0844 -2.0839 -1.9349 -1.9344 3.5378 3.5380 4.0072 4.0075 4.5086 4.5088 4.6461 4.6466 5.2192 5.2210 k = 0.3537 0.5466 0.2761 ( 8048 PWs) bands (ev): -39.9194 -39.9194 -39.9190 -39.9190 -21.2120 -21.2118 -21.2099 -21.2097 -20.8525 -20.8524 -20.8509 -20.8508 -20.8172 -20.8171 -20.8132 -20.8130 -8.1622 -8.1622 -8.0823 -8.0823 -7.7682 -7.7682 -7.6803 -7.6803 -3.6074 -3.6074 -3.4528 -3.4503 -3.3445 -3.3442 -3.0176 -3.0172 -2.9371 -2.9343 -2.8000 -2.7975 -2.7808 -2.7778 -2.3457 -2.3451 -2.1972 -2.1971 -2.1455 -2.1455 -2.0749 -2.0744 -1.9357 -1.9352 3.5451 3.5453 4.0747 4.0749 4.5237 4.5238 4.6775 4.6781 5.2136 5.2157 k = 0.3445 0.5612 0.2934 ( 8036 PWs) bands (ev): -39.9194 -39.9194 -39.9190 -39.9190 -21.2122 -21.2120 -21.2098 -21.2096 -20.8527 -20.8526 -20.8509 -20.8508 -20.8175 -20.8173 -20.8129 -20.8127 -8.1576 -8.1575 -8.0647 -8.0647 -7.7727 -7.7727 -7.6775 -7.6775 -3.6134 -3.6133 -3.4446 -3.4418 -3.3912 -3.3909 -3.0260 -3.0258 -2.9422 -2.9393 -2.8044 -2.8019 -2.7950 -2.7918 -2.3416 -2.3410 -2.1965 -2.1964 -2.1555 -2.1555 -2.0652 -2.0647 -1.9378 -1.9373 3.5532 3.5534 4.1450 4.1451 4.5378 4.5378 4.7080 4.7088 5.2085 5.2106 k = 0.3354 0.5759 0.3106 ( 8034 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2124 -21.2122 -21.2097 -21.2095 -20.8528 -20.8527 -20.8510 -20.8509 -20.8177 -20.8175 -20.8127 -20.8125 -8.1544 -8.1543 -8.0470 -8.0469 -7.7764 -7.7764 -7.6747 -7.6747 -3.6191 -3.6190 -3.4397 -3.4377 -3.4336 -3.4327 -3.0336 -3.0336 -2.9483 -2.9455 -2.8086 -2.8067 -2.8057 -2.8038 -2.3376 -2.3371 -2.1950 -2.1949 -2.1655 -2.1655 -2.0553 -2.0548 -1.9410 -1.9405 3.5618 3.5620 4.2175 4.2176 4.5507 4.5508 4.7370 4.7379 5.2039 5.2062 k = 0.3262 0.5905 0.3279 ( 8046 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2126 -21.2124 -21.2097 -21.2095 -20.8530 -20.8529 -20.8510 -20.8509 -20.8179 -20.8177 -20.8124 -20.8122 -8.1529 -8.1529 -8.0292 -8.0292 -7.7791 -7.7790 -7.6719 -7.6719 -3.6243 -3.6242 -3.4811 -3.4810 -3.4291 -3.4259 -3.0404 -3.0401 -2.9557 -2.9529 -2.8170 -2.8136 -2.8112 -2.8089 -2.3337 -2.3331 -2.1928 -2.1926 -2.1755 -2.1755 -2.0453 -2.0447 -1.9453 -1.9447 3.5710 3.5712 4.2915 4.2917 4.5622 4.5626 4.7639 4.7650 5.2001 5.2025 k = 0.3171 0.6051 0.3452 ( 8040 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2127 -21.2126 -21.2096 -21.2093 -20.8532 -20.8530 -20.8511 -20.8510 -20.8182 -20.8179 -20.8122 -20.8119 -8.1534 -8.1534 -8.0116 -8.0115 -7.7806 -7.7805 -7.6692 -7.6692 -3.6290 -3.6289 -3.5232 -3.5230 -3.4227 -3.4191 -3.0457 -3.0451 -2.9644 -2.9617 -2.8247 -2.8213 -2.8133 -2.8111 -2.3297 -2.3292 -2.1897 -2.1896 -2.1853 -2.1853 -2.0351 -2.0345 -1.9503 -1.9497 3.5808 3.5810 4.3661 4.3666 4.5725 4.5733 4.7884 4.7897 5.1972 5.1996 k = 0.3080 0.6198 0.3624 ( 8040 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2129 -21.2127 -21.2095 -21.2092 -20.8533 -20.8532 -20.8511 -20.8510 -20.8184 -20.8182 -20.8119 -20.8117 -8.1561 -8.1560 -7.9942 -7.9941 -7.7808 -7.7807 -7.6666 -7.6666 -3.6331 -3.6329 -3.5630 -3.5629 -3.4172 -3.4133 -3.0496 -3.0486 -2.9744 -2.9719 -2.8303 -2.8270 -2.8144 -2.8124 -2.3257 -2.3252 -2.1950 -2.1950 -2.1859 -2.1857 -2.0249 -2.0242 -1.9560 -1.9554 3.5912 3.5914 4.4399 4.4411 4.5819 4.5834 4.8100 4.8114 5.1953 5.1977 k = 0.2988 0.6344 0.3797 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2093 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8187 -20.8184 -20.8116 -20.8114 -8.1610 -8.1609 -7.9771 -7.9771 -7.7796 -7.7795 -7.6642 -7.6642 -3.6363 -3.6362 -3.6003 -3.6001 -3.4128 -3.4085 -3.0518 -3.0503 -2.9857 -2.9834 -2.8337 -2.8306 -2.8145 -2.8126 -2.3217 -2.3212 -2.2044 -2.2043 -2.1813 -2.1811 -2.0146 -2.0139 -1.9622 -1.9616 3.6019 3.6021 4.5088 4.5116 4.5928 4.5960 4.8282 4.8298 5.1944 5.1967 k = 0.2988 0.6344 0.3797 ( 8034 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2131 -21.2129 -21.2093 -21.2091 -20.8534 -20.8533 -20.8511 -20.8510 -20.8187 -20.8184 -20.8116 -20.8114 -8.1610 -8.1609 -7.9771 -7.9771 -7.7796 -7.7795 -7.6642 -7.6642 -3.6363 -3.6362 -3.6003 -3.6001 -3.4128 -3.4085 -3.0518 -3.0503 -2.9857 -2.9834 -2.8337 -2.8306 -2.8145 -2.8126 -2.3217 -2.3212 -2.2044 -2.2043 -2.1813 -2.1811 -2.0146 -2.0139 -1.9622 -1.9616 3.6019 3.6021 4.5088 4.5116 4.5928 4.5960 4.8282 4.8298 5.1944 5.1967 k = 0.2758 0.6284 0.3868 ( 8033 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2132 -21.2130 -21.2093 -21.2091 -20.8535 -20.8534 -20.8510 -20.8510 -20.8188 -20.8185 -20.8115 -20.8112 -8.1645 -8.1645 -7.9697 -7.9697 -7.7781 -7.7780 -7.6633 -7.6633 -3.6395 -3.6392 -3.6143 -3.6141 -3.4096 -3.4052 -3.0531 -3.0514 -2.9924 -2.9899 -2.8404 -2.8385 -2.8044 -2.8033 -2.3217 -2.3212 -2.2081 -2.2080 -2.1788 -2.1785 -2.0119 -2.0112 -1.9630 -1.9624 3.6073 3.6075 4.5330 4.5369 4.5980 4.6023 4.8368 4.8384 5.1939 5.1960 k = 0.2528 0.6224 0.3938 ( 8037 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2133 -21.2131 -21.2092 -21.2090 -20.8536 -20.8534 -20.8510 -20.8509 -20.8189 -20.8187 -20.8114 -20.8111 -8.1696 -8.1696 -7.9618 -7.9618 -7.7753 -7.7752 -7.6628 -7.6628 -3.6500 -3.6493 -3.6229 -3.6226 -3.4038 -3.3993 -3.0559 -3.0538 -3.0022 -2.9991 -2.8504 -2.8490 -2.7860 -2.7851 -2.3249 -2.3244 -2.2112 -2.2111 -2.1757 -2.1754 -2.0122 -2.0114 -1.9600 -1.9594 3.6142 3.6144 4.5494 4.5541 4.6070 4.6120 4.8488 4.8503 5.1927 5.1945 k = 0.2299 0.6164 0.4009 ( 8033 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2134 -21.2132 -21.2091 -21.2089 -20.8536 -20.8535 -20.8510 -20.8509 -20.8191 -20.8188 -20.8112 -20.8109 -8.1756 -8.1756 -7.9543 -7.9543 -7.7710 -7.7709 -7.6625 -7.6625 -3.6670 -3.6661 -3.6257 -3.6253 -3.3957 -3.3913 -3.0605 -3.0578 -3.0134 -3.0094 -2.8597 -2.8586 -2.7643 -2.7633 -2.3314 -2.3308 -2.2134 -2.2132 -2.1726 -2.1722 -2.0146 -2.0139 -1.9542 -1.9536 3.6226 3.6227 4.5528 4.5564 4.6271 4.6310 4.8633 4.8649 5.1905 5.1922 k = 0.2069 0.6104 0.4080 ( 8038 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2135 -21.2133 -21.2090 -21.2088 -20.8537 -20.8536 -20.8510 -20.8509 -20.8192 -20.8190 -20.8110 -20.8108 -8.1820 -8.1820 -7.9476 -7.9476 -7.7653 -7.7651 -7.6627 -7.6627 -3.6859 -3.6850 -3.6264 -3.6261 -3.3860 -3.3816 -3.0680 -3.0648 -3.0232 -3.0186 -2.8680 -2.8670 -2.7405 -2.7395 -2.3407 -2.3401 -2.2148 -2.2146 -2.1696 -2.1693 -2.0181 -2.0174 -1.9469 -1.9463 3.6320 3.6322 4.5460 4.5482 4.6547 4.6573 4.8795 4.8811 5.1871 5.1886 k = 0.1839 0.6044 0.4151 ( 8045 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2136 -21.2134 -21.2090 -21.2088 -20.8538 -20.8537 -20.8509 -20.8509 -20.8194 -20.8192 -20.8109 -20.8107 -8.1884 -8.1884 -7.9420 -7.9420 -7.7583 -7.7582 -7.6634 -7.6634 -3.7046 -3.7039 -3.6267 -3.6264 -3.3750 -3.3706 -3.0793 -3.0759 -3.0298 -3.0251 -2.8754 -2.8745 -2.7154 -2.7145 -2.3526 -2.3519 -2.2155 -2.2153 -2.1670 -2.1666 -2.0218 -2.0211 -1.9390 -1.9385 3.6423 3.6425 4.5339 4.5353 4.6850 4.6867 4.8964 4.8979 5.1820 5.1837 k = 0.1609 0.5984 0.4222 ( 8047 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2137 -21.2135 -21.2089 -21.2087 -20.8538 -20.8537 -20.8509 -20.8508 -20.8195 -20.8193 -20.8107 -20.8105 -8.1944 -8.1944 -7.9376 -7.9376 -7.7504 -7.7503 -7.6646 -7.6645 -3.7224 -3.7217 -3.6267 -3.6265 -3.3630 -3.3587 -3.0937 -3.0906 -3.0330 -3.0288 -2.8821 -2.8812 -2.6895 -2.6887 -2.3667 -2.3660 -2.2158 -2.2156 -2.1647 -2.1643 -2.0252 -2.0245 -1.9311 -1.9307 3.6531 3.6533 4.5193 4.5203 4.7160 4.7173 4.9133 4.9147 5.1747 5.1768 k = 0.1379 0.5924 0.4293 ( 8055 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2137 -21.2136 -21.2088 -21.2087 -20.8539 -20.8538 -20.8509 -20.8508 -20.8196 -20.8195 -20.8106 -20.8104 -8.2000 -8.2000 -7.9342 -7.9342 -7.7418 -7.7417 -7.6663 -7.6663 -3.7386 -3.7380 -3.6267 -3.6265 -3.3503 -3.3461 -3.1101 -3.1071 -3.0342 -3.0306 -2.8880 -2.8871 -2.6632 -2.6625 -2.3827 -2.3821 -2.2158 -2.2156 -2.1628 -2.1625 -2.0283 -2.0276 -1.9237 -1.9233 3.6639 3.6641 4.5039 4.5046 4.7470 4.7480 4.9294 4.9307 5.1648 5.1674 k = 0.1149 0.5863 0.4364 ( 8045 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2138 -21.2137 -21.2087 -21.2086 -20.8539 -20.8539 -20.8508 -20.8508 -20.8197 -20.8196 -20.8104 -20.8103 -8.2049 -8.2048 -7.9317 -7.9316 -7.7328 -7.7327 -7.6688 -7.6687 -3.7528 -3.7523 -3.6267 -3.6265 -3.3372 -3.3332 -3.1270 -3.1242 -3.0343 -3.0313 -2.8932 -2.8923 -2.6367 -2.6361 -2.4004 -2.3998 -2.2157 -2.2155 -2.1613 -2.1610 -2.0308 -2.0302 -1.9169 -1.9166 3.6744 3.6745 4.4888 4.4893 4.7771 4.7779 4.9441 4.9453 5.1522 5.1551 k = 0.0919 0.5803 0.4434 ( 8050 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2138 -21.2138 -21.2087 -21.2086 -20.8540 -20.8539 -20.8508 -20.8507 -20.8198 -20.8197 -20.8103 -20.8102 -8.2090 -8.2090 -7.9299 -7.9299 -7.7239 -7.7238 -7.6719 -7.6719 -3.7649 -3.7644 -3.6267 -3.6265 -3.3240 -3.3203 -3.1437 -3.1410 -3.0339 -3.0314 -2.8975 -2.8968 -2.6104 -2.6098 -2.4197 -2.4191 -2.2155 -2.2154 -2.1601 -2.1598 -2.0328 -2.0324 -1.9112 -1.9109 3.6839 3.6840 4.4750 4.4754 4.8056 4.8063 4.9570 4.9581 5.1374 5.1403 k = 0.0690 0.5743 0.4505 ( 8052 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2138 -21.2086 -21.2085 -20.8540 -20.8540 -20.8507 -20.8507 -20.8199 -20.8198 -20.8102 -20.8101 -8.2123 -8.2123 -7.9287 -7.9286 -7.7152 -7.7151 -7.6758 -7.6758 -3.7744 -3.7741 -3.6267 -3.6266 -3.3113 -3.3080 -3.1591 -3.1566 -3.0332 -3.0314 -2.9009 -2.9003 -2.5842 -2.5837 -2.4403 -2.4397 -2.2153 -2.2152 -2.1592 -2.1590 -2.0344 -2.0340 -1.9065 -1.9063 3.6919 3.6920 4.4634 4.4636 4.8312 4.8319 4.9677 4.9685 5.1219 5.1244 k = 0.0460 0.5683 0.4576 ( 8052 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2086 -21.2085 -20.8541 -20.8540 -20.8507 -20.8507 -20.8200 -20.8199 -20.8101 -20.8101 -8.2146 -8.2146 -7.9279 -7.9279 -7.7069 -7.7068 -7.6804 -7.6804 -3.7813 -3.7811 -3.6266 -3.6266 -3.3000 -3.2974 -3.1721 -3.1700 -3.0325 -3.0313 -2.9034 -2.9030 -2.5585 -2.5580 -2.4620 -2.4615 -2.2152 -2.2151 -2.1586 -2.1585 -2.0354 -2.0352 -1.9031 -1.9029 3.6981 3.6982 4.4545 4.4546 4.8525 4.8530 4.9757 4.9762 5.1077 5.1096 k = 0.0230 0.5623 0.4647 ( 8060 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2140 -21.2139 -21.2085 -21.2085 -20.8541 -20.8541 -20.8507 -20.8507 -20.8200 -20.8200 -20.8101 -20.8101 -8.2161 -8.2161 -7.9275 -7.9275 -7.6992 -7.6991 -7.6859 -7.6858 -3.7855 -3.7854 -3.6266 -3.6266 -3.2915 -3.2901 -3.1810 -3.1798 -3.0319 -3.0313 -2.9049 -2.9047 -2.5334 -2.5328 -2.4848 -2.4843 -2.2150 -2.2150 -2.1582 -2.1581 -2.0360 -2.0359 -1.9010 -1.9009 3.7020 3.7020 4.4489 4.4490 4.8670 4.8673 4.9807 4.9809 5.0975 5.0986 k = 0.0000 0.5563 0.4718 ( 8052 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2085 -21.2085 -20.8541 -20.8541 -20.8507 -20.8507 -20.8200 -20.8200 -20.8101 -20.8101 -8.2166 -8.2166 -7.9273 -7.9273 -7.6926 -7.6926 -7.6917 -7.6917 -3.7869 -3.7869 -3.6266 -3.6266 -3.2878 -3.2878 -3.1838 -3.1838 -3.0315 -3.0315 -2.9053 -2.9053 -2.5107 -2.5107 -2.5061 -2.5061 -2.2150 -2.2150 -2.1580 -2.1580 -2.0362 -2.0362 -1.9002 -1.9002 3.7033 3.7033 4.4471 4.4471 4.8723 4.8723 4.9825 4.9825 5.0941 5.0941 k = 0.0000 0.5563 0.4718 ( 8052 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2085 -21.2085 -20.8541 -20.8541 -20.8507 -20.8507 -20.8200 -20.8200 -20.8101 -20.8101 -8.2166 -8.2166 -7.9273 -7.9273 -7.6926 -7.6926 -7.6917 -7.6917 -3.7869 -3.7869 -3.6266 -3.6266 -3.2878 -3.2878 -3.1838 -3.1838 -3.0315 -3.0315 -2.9053 -2.9053 -2.5107 -2.5107 -2.5061 -2.5061 -2.2150 -2.2150 -2.1580 -2.1580 -2.0362 -2.0362 -1.9002 -1.9002 3.7033 3.7033 4.4471 4.4471 4.8723 4.8723 4.9825 4.9825 5.0941 5.0941 k = 0.0093 0.5415 0.4893 ( 8060 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2085 -21.2085 -20.8541 -20.8541 -20.8507 -20.8507 -20.8200 -20.8200 -20.8101 -20.8101 -8.2157 -8.2157 -7.9269 -7.9269 -7.6926 -7.6925 -7.6917 -7.6917 -3.7885 -3.7885 -3.6273 -3.6273 -3.2875 -3.2874 -3.1844 -3.1844 -3.0313 -3.0313 -2.9062 -2.9062 -2.5112 -2.5112 -2.5105 -2.5105 -2.2108 -2.2108 -2.1596 -2.1595 -2.0347 -2.0347 -1.9007 -1.9007 3.7054 3.7055 4.4487 4.4488 4.8716 4.8718 4.9839 4.9842 5.0940 5.0941 k = 0.0185 0.5267 0.5067 ( 8050 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2086 -21.2085 -20.8541 -20.8541 -20.8507 -20.8507 -20.8200 -20.8199 -20.8101 -20.8101 -8.2132 -8.2132 -7.9255 -7.9255 -7.6925 -7.6925 -7.6918 -7.6918 -3.7933 -3.7933 -3.6293 -3.6293 -3.2864 -3.2864 -3.1861 -3.1861 -3.0308 -3.0307 -2.9089 -2.9089 -2.5233 -2.5233 -2.5121 -2.5120 -2.1992 -2.1991 -2.1639 -2.1638 -2.0303 -2.0303 -1.9020 -1.9020 3.7118 3.7119 4.4538 4.4538 4.8700 4.8704 4.9884 4.9890 5.0940 5.0941 k = 0.0278 0.5119 0.5242 ( 8044 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2086 -21.2086 -20.8541 -20.8541 -20.8508 -20.8508 -20.8199 -20.8199 -20.8102 -20.8101 -8.2089 -8.2089 -7.9232 -7.9232 -7.6924 -7.6924 -7.6918 -7.6918 -3.8012 -3.8011 -3.6326 -3.6326 -3.2847 -3.2847 -3.1890 -3.1890 -3.0298 -3.0298 -2.9133 -2.9133 -2.5423 -2.5423 -2.5138 -2.5137 -2.1818 -2.1818 -2.1705 -2.1703 -2.0237 -2.0236 -1.9041 -1.9041 3.7225 3.7226 4.4621 4.4621 4.8676 4.8681 4.9957 4.9965 5.0937 5.0939 k = 0.0370 0.4970 0.5417 ( 8044 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2087 -21.2086 -20.8541 -20.8541 -20.8508 -20.8508 -20.8199 -20.8198 -20.8102 -20.8102 -8.2030 -8.2030 -7.9201 -7.9201 -7.6925 -7.6925 -7.6918 -7.6918 -3.8119 -3.8119 -3.6374 -3.6374 -3.2826 -3.2825 -3.1929 -3.1929 -3.0285 -3.0284 -2.9194 -2.9193 -2.5656 -2.5656 -2.5162 -2.5161 -2.1787 -2.1785 -2.1608 -2.1607 -2.0154 -2.0153 -1.9071 -1.9071 3.7375 3.7376 4.4735 4.4736 4.8649 4.8655 5.0054 5.0063 5.0932 5.0934 k = 0.0463 0.4822 0.5591 ( 8046 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2139 -21.2087 -21.2087 -20.8542 -20.8542 -20.8509 -20.8509 -20.8198 -20.8197 -20.8103 -20.8102 -8.1955 -8.1955 -7.9161 -7.9161 -7.6928 -7.6928 -7.6917 -7.6916 -3.8253 -3.8252 -3.6437 -3.6437 -3.2801 -3.2800 -3.1978 -3.1977 -3.0269 -3.0268 -2.9269 -2.9268 -2.5914 -2.5914 -2.5192 -2.5191 -2.1878 -2.1876 -2.1377 -2.1376 -2.0058 -2.0057 -1.9109 -1.9109 3.7568 3.7569 4.4881 4.4881 4.8620 4.8627 5.0171 5.0181 5.0923 5.0926 k = 0.0556 0.4674 0.5766 ( 8036 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2138 -21.2088 -21.2087 -20.8543 -20.8542 -20.8510 -20.8509 -20.8197 -20.8196 -20.8103 -20.8103 -8.1863 -8.1863 -7.9114 -7.9114 -7.6932 -7.6932 -7.6915 -7.6915 -3.8409 -3.8408 -3.6516 -3.6516 -3.2774 -3.2773 -3.2035 -3.2035 -3.0250 -3.0249 -2.9358 -2.9357 -2.6185 -2.6184 -2.5228 -2.5226 -2.1975 -2.1972 -2.1137 -2.1136 -1.9954 -1.9953 -1.9156 -1.9155 3.7806 3.7807 4.5056 4.5056 4.8593 4.8600 5.0305 5.0316 5.0910 5.0914 k = 0.0648 0.4526 0.5941 ( 8042 PWs) bands (ev): -39.9196 -39.9196 -39.9187 -39.9187 -21.2139 -21.2138 -21.2089 -21.2088 -20.8543 -20.8543 -20.8511 -20.8510 -20.8196 -20.8195 -20.8104 -20.8104 -8.1757 -8.1757 -7.9059 -7.9059 -7.6937 -7.6937 -7.6913 -7.6913 -3.8586 -3.8585 -3.6613 -3.6613 -3.2748 -3.2747 -3.2100 -3.2099 -3.0229 -3.0228 -2.9459 -2.9458 -2.6458 -2.6457 -2.5269 -2.5267 -2.2073 -2.2070 -2.0898 -2.0896 -1.9845 -1.9844 -1.9209 -1.9209 3.8087 3.8089 4.5259 4.5259 4.8569 4.8577 5.0451 5.0462 5.0893 5.0896 k = 0.0741 0.4378 0.6116 ( 8046 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2139 -21.2138 -21.2090 -21.2089 -20.8544 -20.8544 -20.8512 -20.8511 -20.8195 -20.8193 -20.8106 -20.8105 -8.1636 -8.1636 -7.8998 -7.8998 -7.6943 -7.6943 -7.6913 -7.6913 -3.8778 -3.8777 -3.6727 -3.6727 -3.2723 -3.2722 -3.2170 -3.2169 -3.0207 -3.0206 -2.9569 -2.9568 -2.6726 -2.6725 -2.5315 -2.5314 -2.2168 -2.2165 -2.0665 -2.0664 -1.9733 -1.9732 -1.9268 -1.9268 3.8413 3.8415 4.5487 4.5487 4.8550 4.8558 5.0607 5.0618 5.0871 5.0874 k = 0.0833 0.4229 0.6290 ( 8052 PWs) bands (ev): -39.9196 -39.9196 -39.9188 -39.9188 -21.2139 -21.2138 -21.2092 -21.2091 -20.8545 -20.8545 -20.8513 -20.8513 -20.8193 -20.8192 -20.8107 -20.8106 -8.1502 -8.1501 -7.8930 -7.8930 -7.6951 -7.6950 -7.6914 -7.6914 -3.8983 -3.8982 -3.6861 -3.6861 -3.2701 -3.2700 -3.2244 -3.2244 -3.0186 -3.0184 -2.9686 -2.9685 -2.6982 -2.6981 -2.5367 -2.5365 -2.2260 -2.2257 -2.0447 -2.0445 -1.9619 -1.9619 -1.9330 -1.9330 3.8782 3.8785 4.5739 4.5739 4.8537 4.8545 5.0767 5.0771 5.0850 5.0854 k = 0.0926 0.4081 0.6465 ( 8042 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2139 -21.2137 -21.2093 -21.2092 -20.8546 -20.8545 -20.8514 -20.8514 -20.8192 -20.8190 -20.8108 -20.8107 -8.1354 -8.1354 -7.8858 -7.8858 -7.6960 -7.6959 -7.6917 -7.6917 -3.9197 -3.9196 -3.7015 -3.7015 -3.2683 -3.2683 -3.2320 -3.2320 -3.0168 -3.0166 -2.9808 -2.9807 -2.7221 -2.7220 -2.5423 -2.5421 -2.2344 -2.2341 -2.0251 -2.0248 -1.9506 -1.9505 -1.9388 -1.9387 3.9196 3.9199 4.6011 4.6011 4.8530 4.8539 5.0796 5.0806 5.0948 5.0965 k = 0.1019 0.3933 0.6640 ( 8042 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2138 -21.2137 -21.2094 -21.2093 -20.8547 -20.8546 -20.8515 -20.8515 -20.8190 -20.8188 -20.8110 -20.8109 -8.1195 -8.1194 -7.8781 -7.8781 -7.6970 -7.6970 -7.6922 -7.6922 -3.9416 -3.9415 -3.7189 -3.7189 -3.2670 -3.2670 -3.2397 -3.2396 -3.0156 -3.0154 -2.9932 -2.9931 -2.7436 -2.7435 -2.5483 -2.5482 -2.2420 -2.2416 -2.0094 -2.0091 -1.9429 -1.9427 -1.9393 -1.9392 3.9653 3.9655 4.6302 4.6302 4.8531 4.8539 5.0760 5.0769 5.1119 5.1134 k = 0.1111 0.3785 0.6815 ( 8032 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2138 -21.2136 -21.2096 -21.2095 -20.8547 -20.8547 -20.8517 -20.8516 -20.8188 -20.8186 -20.8111 -20.8110 -8.1024 -8.1024 -7.8700 -7.8700 -7.6982 -7.6982 -7.6931 -7.6931 -3.9635 -3.9634 -3.7383 -3.7382 -3.2663 -3.2663 -3.2472 -3.2471 -3.0155 -3.0151 -3.0055 -3.0055 -2.7623 -2.7622 -2.5548 -2.5547 -2.2484 -2.2481 -2.0005 -2.0001 -1.9422 -1.9419 -1.9282 -1.9282 4.0150 4.0153 4.6606 4.6607 4.8538 4.8546 5.0717 5.0726 5.1292 5.1307 k = 0.1204 0.3637 0.6989 ( 8038 PWs) bands (ev): -39.9195 -39.9195 -39.9188 -39.9188 -21.2137 -21.2136 -21.2097 -21.2096 -20.8548 -20.8548 -20.8518 -20.8518 -20.8187 -20.8184 -20.8113 -20.8112 -8.0844 -8.0844 -7.8618 -7.8618 -7.6996 -7.6996 -7.6944 -7.6943 -3.9852 -3.9851 -3.7595 -3.7595 -3.2662 -3.2661 -3.2544 -3.2543 -3.0189 -3.0180 -3.0158 -3.0153 -2.7777 -2.7776 -2.5619 -2.5617 -2.2538 -2.2535 -2.0003 -1.9999 -1.9350 -1.9348 -1.9175 -1.9174 4.0688 4.0691 4.6922 4.6923 4.8553 4.8561 5.0669 5.0678 5.1464 5.1478 k = 0.1296 0.3489 0.7164 ( 8048 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2137 -21.2135 -21.2099 -21.2098 -20.8549 -20.8549 -20.8520 -20.8519 -20.8185 -20.8182 -20.8115 -20.8114 -8.0656 -8.0656 -7.8533 -7.8533 -7.7012 -7.7012 -7.6961 -7.6961 -4.0063 -4.0062 -3.7826 -3.7825 -3.2668 -3.2665 -3.2612 -3.2610 -3.0299 -3.0297 -3.0185 -3.0185 -2.7894 -2.7893 -2.5694 -2.5692 -2.2578 -2.2575 -2.0065 -2.0062 -1.9235 -1.9233 -1.9070 -1.9070 4.1262 4.1265 4.7244 4.7246 4.8575 4.8583 5.0617 5.0626 5.1633 5.1646 k = 0.1389 0.3340 0.7339 ( 8048 PWs) bands (ev): -39.9195 -39.9195 -39.9189 -39.9189 -21.2136 -21.2135 -21.2101 -21.2100 -20.8550 -20.8550 -20.8521 -20.8521 -20.8183 -20.8180 -20.8117 -20.8116 -8.0461 -8.0461 -7.8447 -7.8447 -7.7030 -7.7030 -7.6984 -7.6984 -4.0263 -4.0262 -3.8071 -3.8071 -3.2691 -3.2683 -3.2666 -3.2660 -3.0411 -3.0409 -3.0227 -3.0226 -2.7972 -2.7971 -2.5774 -2.5773 -2.2604 -2.2601 -2.0163 -2.0160 -1.9106 -1.9105 -1.8971 -1.8970 4.1871 4.1874 4.7569 4.7571 4.8604 4.8613 5.0561 5.0570 5.1795 5.1808 k = 0.1481 0.3192 0.7514 ( 8040 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2136 -21.2134 -21.2103 -21.2101 -20.8551 -20.8550 -20.8522 -20.8522 -20.8181 -20.8178 -20.8119 -20.8117 -8.0260 -8.0260 -7.8362 -7.8362 -7.7052 -7.7051 -7.7012 -7.7012 -4.0449 -4.0448 -3.8328 -3.8328 -3.2740 -3.2736 -3.2685 -3.2683 -3.0515 -3.0513 -3.0284 -3.0283 -2.8013 -2.8012 -2.5860 -2.5859 -2.2616 -2.2613 -2.0279 -2.0277 -1.8978 -1.8978 -1.8876 -1.8876 4.2509 4.2512 4.7890 4.7894 4.8641 4.8650 5.0503 5.0513 5.1950 5.1962 k = 0.1574 0.3044 0.7688 ( 8032 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2135 -21.2133 -21.2105 -21.2103 -20.8551 -20.8551 -20.8524 -20.8523 -20.8178 -20.8175 -20.8120 -20.8119 -8.0055 -8.0055 -7.8278 -7.8278 -7.7077 -7.7077 -7.7045 -7.7045 -4.0618 -4.0617 -3.8594 -3.8594 -3.2790 -3.2787 -3.2704 -3.2703 -3.0610 -3.0609 -3.0353 -3.0352 -2.8019 -2.8017 -2.5951 -2.5950 -2.2612 -2.2610 -2.0408 -2.0406 -1.8859 -1.8859 -1.8787 -1.8787 4.3174 4.3177 4.8202 4.8206 4.8686 4.8694 5.0445 5.0454 5.2095 5.2106 k = 0.1667 0.2896 0.7863 ( 8034 PWs) bands (ev): -39.9194 -39.9194 -39.9189 -39.9189 -21.2134 -21.2132 -21.2107 -21.2105 -20.8552 -20.8552 -20.8525 -20.8525 -20.8176 -20.8173 -20.8122 -20.8121 -7.9848 -7.9848 -7.8195 -7.8195 -7.7112 -7.7111 -7.7080 -7.7080 -4.0766 -4.0766 -3.8864 -3.8864 -3.2835 -3.2832 -3.2727 -3.2726 -3.0696 -3.0695 -3.0431 -3.0430 -2.7994 -2.7993 -2.6048 -2.6047 -2.2594 -2.2592 -2.0545 -2.0543 -1.8750 -1.8750 -1.8704 -1.8704 4.3859 4.3862 4.8496 4.8500 4.8738 4.8745 5.0387 5.0397 5.2228 5.2238 k = 0.1759 0.2748 0.8038 ( 8048 PWs) bands (ev): -39.9194 -39.9194 -39.9190 -39.9190 -21.2133 -21.2131 -21.2109 -21.2107 -20.8553 -20.8552 -20.8526 -20.8526 -20.8174 -20.8171 -20.8125 -20.8124 -7.9641 -7.9640 -7.8116 -7.8116 -7.7159 -7.7159 -7.7113 -7.7113 -4.0892 -4.0891 -3.9136 -3.9136 -3.2874 -3.2871 -3.2753 -3.2753 -3.0771 -3.0770 -3.0512 -3.0511 -2.7945 -2.7944 -2.6150 -2.6149 -2.2561 -2.2559 -2.0687 -2.0685 -1.8653 -1.8653 -1.8628 -1.8628 4.4557 4.4560 4.8757 4.8758 4.8807 4.8809 5.0334 5.0344 5.2348 5.2357 k = 0.1852 0.2599 0.8212 ( 8050 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2132 -21.2130 -21.2111 -21.2109 -20.8553 -20.8553 -20.8528 -20.8527 -20.8172 -20.8168 -20.8127 -20.8126 -7.9433 -7.9433 -7.8042 -7.8042 -7.7218 -7.7217 -7.7145 -7.7145 -4.0992 -4.0992 -3.9404 -3.9404 -3.2906 -3.2904 -3.2781 -3.2781 -3.0835 -3.0834 -3.0593 -3.0593 -2.7876 -2.7875 -2.6257 -2.6257 -2.2513 -2.2511 -2.0833 -2.0831 -1.8569 -1.8569 -1.8559 -1.8559 4.5261 4.5263 4.8853 4.8863 4.8999 4.9006 5.0289 5.0299 5.2454 5.2461 k = 0.1944 0.2451 0.8387 ( 8048 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2131 -21.2129 -21.2112 -21.2111 -20.8554 -20.8554 -20.8528 -20.8528 -20.8170 -20.8166 -20.8129 -20.8128 -7.9229 -7.9229 -7.7975 -7.7974 -7.7284 -7.7284 -7.7179 -7.7179 -4.1065 -4.1064 -3.9664 -3.9664 -3.2932 -3.2930 -3.2810 -3.2810 -3.0888 -3.0887 -3.0671 -3.0670 -2.7791 -2.7790 -2.6369 -2.6369 -2.2452 -2.2450 -2.0981 -2.0980 -1.8498 -1.8497 -1.8496 -1.8496 4.5962 4.5963 4.8926 4.8934 4.9179 4.9186 5.0257 5.0265 5.2545 5.2551 k = 0.2037 0.2303 0.8562 ( 8054 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2130 -21.2128 -21.2114 -21.2112 -20.8554 -20.8554 -20.8529 -20.8529 -20.8168 -20.8164 -20.8131 -20.8130 -7.9029 -7.9028 -7.7919 -7.7919 -7.7354 -7.7354 -7.7215 -7.7214 -4.1108 -4.1108 -3.9913 -3.9913 -3.2952 -3.2949 -3.2840 -3.2839 -3.0930 -3.0929 -3.0743 -3.0742 -2.7693 -2.7692 -2.6485 -2.6485 -2.2377 -2.2375 -2.1130 -2.1129 -1.8444 -1.8444 -1.8437 -1.8437 4.6646 4.6646 4.9003 4.9012 4.9298 4.9305 5.0237 5.0243 5.2622 5.2626 k = 0.2130 0.2155 0.8737 ( 8044 PWs) bands (ev): -39.9193 -39.9193 -39.9190 -39.9190 -21.2129 -21.2127 -21.2116 -21.2114 -20.8555 -20.8555 -20.8530 -20.8530 -20.8165 -20.8161 -20.8133 -20.8132 -7.8834 -7.8834 -7.7883 -7.7883 -7.7420 -7.7419 -7.7252 -7.7252 -4.1121 -4.1120 -4.0146 -4.0146 -3.2965 -3.2963 -3.2869 -3.2868 -3.0960 -3.0959 -3.0807 -3.0806 -2.7586 -2.7585 -2.6605 -2.6605 -2.2290 -2.2289 -2.1279 -2.1277 -1.8399 -1.8398 -1.8389 -1.8389 4.7299 4.7300 4.9090 4.9098 4.9354 4.9359 5.0219 5.0222 5.2686 5.2688 k = 0.2222 0.2007 0.8911 ( 8048 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2128 -21.2125 -21.2118 -21.2116 -20.8555 -20.8555 -20.8531 -20.8531 -20.8164 -20.8159 -20.8135 -20.8134 -7.8648 -7.8648 -7.7883 -7.7883 -7.7466 -7.7465 -7.7292 -7.7292 -4.1102 -4.1102 -4.0360 -4.0360 -3.2972 -3.2969 -3.2896 -3.2894 -3.0978 -3.0978 -3.0862 -3.0861 -2.7472 -2.7471 -2.6728 -2.6727 -2.2192 -2.2190 -2.1425 -2.1423 -1.8363 -1.8362 -1.8352 -1.8352 4.7900 4.7902 4.9188 4.9197 4.9354 4.9357 5.0178 5.0179 5.2740 5.2740 k = 0.2315 0.1859 0.9086 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2127 -21.2124 -21.2119 -21.2118 -20.8555 -20.8555 -20.8531 -20.8531 -20.8162 -20.8158 -20.8136 -20.8136 -7.8472 -7.8472 -7.7933 -7.7933 -7.7478 -7.7478 -7.7333 -7.7333 -4.1052 -4.1052 -4.0552 -4.0552 -3.2973 -3.2970 -3.2919 -3.2918 -3.0986 -3.0986 -3.0907 -3.0907 -2.7353 -2.7352 -2.6852 -2.6852 -2.2084 -2.2082 -2.1568 -2.1566 -1.8336 -1.8336 -1.8328 -1.8327 4.8421 4.8425 4.9302 4.9305 4.9320 4.9323 5.0086 5.0086 5.2787 5.2794 k = 0.2407 0.1710 0.9261 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2122 -21.2120 -21.2119 -20.8555 -20.8555 -20.8531 -20.8531 -20.8162 -20.8157 -20.8137 -20.8137 -7.8308 -7.8308 -7.8028 -7.8028 -7.7462 -7.7462 -7.7373 -7.7373 -4.0971 -4.0971 -4.0720 -4.0720 -3.2969 -3.2965 -3.2939 -3.2937 -3.0982 -3.0982 -3.0943 -3.0943 -2.7230 -2.7229 -2.6978 -2.6977 -2.1966 -2.1964 -2.1707 -2.1705 -1.8319 -1.8318 -1.8314 -1.8314 4.8822 4.8826 4.9222 4.9224 4.9479 4.9485 4.9925 4.9925 5.2836 5.2839 k = 0.2500 0.1562 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2121 -20.8555 -20.8555 -20.8531 -20.8531 -20.8161 -20.8156 -20.8137 -20.8137 -7.8180 -7.8180 -7.8135 -7.8135 -7.7445 -7.7444 -7.7397 -7.7397 -4.0861 -4.0861 -4.0859 -4.0858 -3.2963 -3.2959 -3.2949 -3.2949 -3.0968 -3.0968 -3.0968 -3.0967 -2.7115 -2.7115 -2.7093 -2.7092 -2.1846 -2.1842 -2.1833 -2.1833 -1.8312 -1.8311 -1.8311 -1.8310 4.9062 4.9062 4.9090 4.9095 4.9673 4.9678 4.9733 4.9733 5.2885 5.2890 k = 0.2500 0.1562 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2121 -20.8555 -20.8555 -20.8531 -20.8531 -20.8161 -20.8156 -20.8137 -20.8137 -7.8180 -7.8180 -7.8135 -7.8135 -7.7445 -7.7444 -7.7397 -7.7397 -4.0861 -4.0861 -4.0859 -4.0858 -3.2963 -3.2959 -3.2949 -3.2949 -3.0968 -3.0968 -3.0968 -3.0967 -2.7115 -2.7115 -2.7093 -2.7092 -2.1846 -2.1842 -2.1833 -2.1833 -1.8312 -1.8311 -1.8311 -1.8310 4.9062 4.9062 4.9090 4.9095 4.9673 4.9678 4.9733 4.9733 5.2886 5.2914 k = 0.2667 0.1666 0.9313 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2121 -21.2120 -20.8555 -20.8555 -20.8531 -20.8531 -20.8161 -20.8156 -20.8137 -20.8137 -7.8228 -7.8228 -7.8092 -7.8092 -7.7451 -7.7450 -7.7390 -7.7390 -4.0918 -4.0918 -4.0797 -4.0797 -3.2960 -3.2956 -3.2944 -3.2944 -3.0978 -3.0978 -3.0955 -3.0954 -2.7163 -2.7163 -2.7050 -2.7049 -2.1907 -2.1905 -2.1774 -2.1772 -1.8315 -1.8314 -1.8307 -1.8306 4.8955 4.8957 4.9170 4.9172 4.9568 4.9573 4.9845 4.9846 5.2856 5.2861 k = 0.2833 0.1770 0.9190 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2122 -21.2120 -21.2120 -20.8555 -20.8555 -20.8532 -20.8532 -20.8161 -20.8156 -20.8137 -20.8137 -7.8289 -7.8289 -7.8047 -7.8046 -7.7463 -7.7463 -7.7373 -7.7373 -4.0965 -4.0965 -4.0734 -4.0734 -3.2948 -3.2943 -3.2934 -3.2933 -3.0989 -3.0988 -3.0935 -3.0934 -2.7213 -2.7212 -2.7015 -2.7015 -2.1979 -2.1977 -2.1708 -2.1706 -1.8321 -1.8321 -1.8296 -1.8296 4.8801 4.8804 4.9246 4.9248 4.9421 4.9431 5.0008 5.0009 5.2802 5.2806 k = 0.3000 0.1875 0.9067 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2123 -21.2120 -21.2119 -20.8555 -20.8555 -20.8532 -20.8532 -20.8161 -20.8156 -20.8137 -20.8136 -7.8346 -7.8346 -7.8014 -7.8014 -7.7476 -7.7476 -7.7354 -7.7354 -4.0999 -4.0999 -4.0671 -4.0671 -3.2933 -3.2929 -3.2914 -3.2913 -3.0999 -3.0999 -3.0908 -3.0907 -2.7254 -2.7254 -2.6996 -2.6996 -2.2052 -2.2050 -2.1646 -2.1644 -1.8330 -1.8330 -1.8281 -1.8281 4.8627 4.8630 4.9168 4.9170 4.9406 4.9416 5.0183 5.0183 5.2736 5.2742 k = 0.3167 0.1979 0.8944 ( 8040 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2123 -21.2119 -21.2119 -20.8554 -20.8554 -20.8532 -20.8532 -20.8161 -20.8156 -20.8137 -20.8136 -7.8399 -7.8398 -7.7995 -7.7995 -7.7488 -7.7488 -7.7336 -7.7336 -4.1020 -4.1020 -4.0608 -4.0608 -3.2919 -3.2917 -3.2881 -3.2880 -3.1009 -3.1008 -3.0876 -3.0875 -2.7288 -2.7287 -2.6992 -2.6991 -2.2123 -2.2121 -2.1591 -2.1589 -1.8340 -1.8340 -1.8264 -1.8263 4.8439 4.8441 4.8963 4.8963 4.9500 4.9508 5.0364 5.0364 5.2658 5.2661 k = 0.3333 0.2083 0.8822 ( 8040 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2124 -21.2119 -21.2118 -20.8554 -20.8553 -20.8533 -20.8532 -20.8160 -20.8156 -20.8137 -20.8137 -7.8445 -7.8445 -7.7988 -7.7988 -7.7498 -7.7498 -7.7322 -7.7322 -4.1024 -4.1024 -4.0547 -4.0546 -3.2906 -3.2904 -3.2841 -3.2841 -3.1015 -3.1014 -3.0838 -3.0838 -2.7313 -2.7312 -2.6999 -2.6998 -2.2189 -2.2188 -2.1547 -2.1545 -1.8348 -1.8348 -1.8245 -1.8244 4.8239 4.8241 4.8727 4.8728 4.9606 4.9613 5.0546 5.0547 5.2571 5.2572 k = 0.3500 0.2187 0.8699 ( 8047 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2124 -21.2119 -21.2118 -20.8553 -20.8553 -20.8533 -20.8533 -20.8160 -20.8156 -20.8138 -20.8137 -7.8485 -7.8485 -7.7991 -7.7991 -7.7507 -7.7506 -7.7314 -7.7313 -4.1012 -4.1012 -4.0487 -4.0486 -3.2893 -3.2892 -3.2800 -3.2799 -3.1017 -3.1016 -3.0797 -3.0796 -2.7331 -2.7330 -2.7016 -2.7015 -2.2248 -2.2246 -2.1518 -2.1517 -1.8354 -1.8354 -1.8227 -1.8226 4.8029 4.8029 4.8474 4.8475 4.9716 4.9724 5.0728 5.0730 5.2476 5.2477 k = 0.3667 0.2291 0.8576 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2124 -21.2118 -21.2118 -20.8552 -20.8552 -20.8534 -20.8534 -20.8159 -20.8156 -20.8138 -20.8137 -7.8520 -7.8520 -7.8004 -7.8004 -7.7513 -7.7512 -7.7312 -7.7311 -4.0981 -4.0981 -4.0428 -4.0428 -3.2880 -3.2878 -3.2760 -3.2759 -3.1011 -3.1010 -3.0753 -3.0752 -2.7342 -2.7340 -2.7038 -2.7037 -2.2296 -2.2294 -2.1506 -2.1505 -1.8355 -1.8355 -1.8211 -1.8210 4.7809 4.7809 4.8207 4.8209 4.9830 4.9838 5.0906 5.0908 5.2376 5.2378 k = 0.3833 0.2395 0.8453 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2124 -21.2118 -21.2117 -20.8551 -20.8551 -20.8534 -20.8534 -20.8159 -20.8155 -20.8139 -20.8138 -7.8548 -7.8547 -7.8028 -7.8028 -7.7516 -7.7516 -7.7316 -7.7316 -4.0931 -4.0930 -4.0372 -4.0371 -3.2866 -3.2865 -3.2726 -3.2724 -3.0995 -3.0994 -3.0708 -3.0707 -2.7345 -2.7343 -2.7065 -2.7063 -2.2330 -2.2329 -2.1514 -2.1514 -1.8352 -1.8352 -1.8198 -1.8197 4.7580 4.7580 4.7930 4.7932 4.9947 4.9954 5.1070 5.1074 5.2278 5.2283 k = 0.4000 0.2499 0.8330 ( 8034 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2126 -21.2124 -21.2118 -21.2117 -20.8550 -20.8549 -20.8535 -20.8535 -20.8158 -20.8154 -20.8139 -20.8138 -7.8569 -7.8569 -7.8063 -7.8063 -7.7517 -7.7517 -7.7328 -7.7328 -4.0860 -4.0860 -4.0316 -4.0315 -3.2853 -3.2852 -3.2701 -3.2699 -3.0966 -3.0965 -3.0664 -3.0663 -2.7342 -2.7339 -2.7093 -2.7090 -2.2350 -2.2348 -2.1543 -2.1543 -1.8344 -1.8344 -1.8190 -1.8189 4.7344 4.7345 4.7644 4.7647 5.0064 5.0071 5.1207 5.1214 5.2195 5.2203 k = 0.4167 0.2604 0.8208 ( 8028 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2124 -21.2118 -21.2117 -20.8549 -20.8548 -20.8536 -20.8535 -20.8157 -20.8153 -20.8140 -20.8139 -7.8584 -7.8584 -7.8109 -7.8109 -7.7515 -7.7515 -7.7344 -7.7344 -4.0769 -4.0769 -4.0263 -4.0262 -3.2841 -3.2839 -3.2689 -3.2686 -3.0923 -3.0922 -3.0623 -3.0622 -2.7332 -2.7328 -2.7119 -2.7116 -2.2352 -2.2351 -2.1593 -2.1593 -1.8332 -1.8332 -1.8186 -1.8185 4.7102 4.7104 4.7353 4.7355 5.0181 5.0189 5.1291 5.1301 5.2152 5.2165 k = 0.4333 0.2708 0.8085 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2124 -21.2123 -21.2118 -21.2118 -20.8547 -20.8547 -20.8536 -20.8536 -20.8155 -20.8153 -20.8141 -20.8140 -7.8592 -7.8592 -7.8168 -7.8168 -7.7510 -7.7510 -7.7365 -7.7365 -4.0658 -4.0657 -4.0211 -4.0210 -3.2829 -3.2827 -3.2689 -3.2687 -3.0865 -3.0865 -3.0587 -3.0586 -2.7315 -2.7311 -2.7142 -2.7139 -2.2337 -2.2336 -2.1663 -2.1663 -1.8318 -1.8317 -1.8189 -1.8188 4.6856 4.6858 4.7057 4.7060 5.0297 5.0305 5.1293 5.1305 5.2179 5.2194 k = 0.4500 0.2812 0.7962 ( 8025 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2124 -21.2123 -21.2118 -21.2118 -20.8546 -20.8546 -20.8537 -20.8536 -20.8154 -20.8152 -20.8143 -20.8141 -7.8593 -7.8593 -7.8242 -7.8242 -7.7503 -7.7502 -7.7388 -7.7388 -4.0526 -4.0525 -4.0162 -4.0160 -3.2817 -3.2816 -3.2702 -3.2699 -3.0794 -3.0794 -3.0558 -3.0557 -2.7292 -2.7287 -2.7160 -2.7156 -2.2303 -2.2302 -2.1750 -2.1749 -1.8303 -1.8301 -1.8198 -1.8197 4.6607 4.6609 4.6758 4.6761 5.0410 5.0419 5.1214 5.1226 5.2273 5.2289 k = 0.4667 0.2916 0.7839 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2122 -21.2118 -21.2118 -20.8545 -20.8545 -20.8537 -20.8537 -20.8153 -20.8151 -20.8144 -20.8142 -7.8588 -7.8588 -7.8331 -7.8331 -7.7493 -7.7493 -7.7412 -7.7412 -4.0375 -4.0374 -4.0113 -4.0112 -3.2807 -3.2805 -3.2725 -3.2722 -3.0712 -3.0711 -3.0537 -3.0536 -2.7262 -2.7257 -2.7172 -2.7168 -2.2249 -2.2248 -2.1851 -2.1850 -1.8288 -1.8287 -1.8215 -1.8214 4.6357 4.6359 4.6458 4.6461 5.0518 5.0527 5.1079 5.1090 5.2407 5.2423 k = 0.4833 0.3020 0.7716 ( 8037 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2119 -21.2118 -20.8544 -20.8544 -20.8537 -20.8537 -20.8152 -20.8150 -20.8145 -20.8144 -7.8576 -7.8576 -7.8435 -7.8435 -7.7481 -7.7481 -7.7434 -7.7434 -4.0207 -4.0206 -4.0067 -4.0065 -3.2799 -3.2796 -3.2754 -3.2752 -3.0621 -3.0620 -3.0525 -3.0524 -2.7225 -2.7219 -2.7178 -2.7173 -2.2175 -2.2175 -2.1963 -2.1963 -1.8277 -1.8276 -1.8239 -1.8238 4.6106 4.6109 4.6158 4.6161 5.0620 5.0628 5.0909 5.0918 5.2557 5.2573 k = 0.5000 0.3124 0.7594 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2118 -21.2118 -20.8544 -20.8544 -20.8537 -20.8537 -20.8151 -20.8151 -20.8144 -20.8144 -7.8569 -7.8569 -7.8546 -7.8546 -7.7473 -7.7473 -7.7448 -7.7448 -4.0022 -4.0022 -4.0020 -4.0020 -3.2796 -3.2795 -3.2780 -3.2780 -3.0526 -3.0526 -3.0522 -3.0522 -2.7181 -2.7181 -2.7172 -2.7172 -2.2086 -2.2085 -2.2080 -2.2079 -1.8272 -1.8272 -1.8268 -1.8268 4.5854 4.5854 4.5866 4.5866 5.0695 5.0695 5.0740 5.0740 5.2697 5.2697 k = 0.5000 0.3124 0.7594 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2122 -21.2122 -21.2118 -21.2118 -20.8544 -20.8544 -20.8537 -20.8537 -20.8151 -20.8151 -20.8144 -20.8144 -7.8569 -7.8569 -7.8546 -7.8546 -7.7473 -7.7473 -7.7448 -7.7448 -4.0022 -4.0022 -4.0020 -4.0020 -3.2796 -3.2795 -3.2780 -3.2780 -3.0526 -3.0526 -3.0522 -3.0522 -2.7181 -2.7181 -2.7172 -2.7172 -2.2086 -2.2085 -2.2080 -2.2079 -1.8272 -1.8272 -1.8268 -1.8268 4.5854 4.5854 4.5866 4.5866 5.0695 5.0695 5.0740 5.0740 5.2697 5.2697 k = 0.5000 0.3124 0.7349 ( 8020 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2121 -21.2121 -21.2118 -21.2118 -20.8543 -20.8543 -20.8535 -20.8535 -20.8151 -20.8151 -20.8144 -20.8144 -7.8683 -7.8683 -7.8660 -7.8660 -7.7475 -7.7475 -7.7450 -7.7450 -3.9773 -3.9772 -3.9771 -3.9770 -3.2821 -3.2820 -3.2804 -3.2804 -3.0430 -3.0429 -3.0425 -3.0425 -2.7128 -2.7128 -2.7117 -2.7117 -2.2106 -2.2106 -2.2100 -2.2099 -1.8306 -1.8306 -1.8302 -1.8302 4.5306 4.5306 4.5316 4.5316 5.0550 5.0550 5.0592 5.0592 5.2714 5.2714 k = 0.5000 0.3124 0.7104 ( 8020 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2121 -21.2121 -21.2117 -21.2117 -20.8542 -20.8542 -20.8534 -20.8534 -20.8151 -20.8151 -20.8144 -20.8144 -7.8811 -7.8811 -7.8788 -7.8788 -7.7474 -7.7474 -7.7449 -7.7449 -3.9501 -3.9501 -3.9499 -3.9498 -3.2842 -3.2842 -3.2824 -3.2824 -3.0329 -3.0329 -3.0324 -3.0324 -2.7068 -2.7068 -2.7056 -2.7056 -2.2127 -2.2126 -2.2120 -2.2119 -1.8345 -1.8345 -1.8341 -1.8340 4.4749 4.4749 4.4759 4.4759 5.0357 5.0357 5.0395 5.0395 5.2745 5.2751 k = 0.5000 0.3124 0.6859 ( 8018 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2120 -21.2120 -21.2117 -21.2117 -20.8541 -20.8541 -20.8532 -20.8532 -20.8152 -20.8152 -20.8144 -20.8144 -7.8951 -7.8951 -7.8929 -7.8928 -7.7469 -7.7469 -7.7445 -7.7445 -3.9210 -3.9209 -3.9207 -3.9207 -3.2858 -3.2858 -3.2839 -3.2839 -3.0226 -3.0225 -3.0221 -3.0220 -2.7002 -2.7002 -2.6989 -2.6989 -2.2147 -2.2146 -2.2139 -2.2139 -1.8387 -1.8387 -1.8382 -1.8382 4.4187 4.4187 4.4197 4.4197 5.0126 5.0126 5.0161 5.0161 5.2782 5.2802 k = 0.5000 0.3124 0.6614 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2120 -21.2119 -21.2116 -21.2116 -20.8540 -20.8540 -20.8531 -20.8531 -20.8152 -20.8152 -20.8144 -20.8144 -7.9101 -7.9101 -7.9080 -7.9080 -7.7462 -7.7462 -7.7439 -7.7439 -3.8902 -3.8902 -3.8899 -3.8899 -3.2867 -3.2867 -3.2847 -3.2847 -3.0121 -3.0120 -3.0115 -3.0115 -2.6931 -2.6931 -2.6917 -2.6917 -2.2165 -2.2165 -2.2157 -2.2157 -1.8434 -1.8434 -1.8428 -1.8428 4.3625 4.3625 4.3634 4.3634 4.9868 4.9868 4.9899 4.9899 5.2819 5.2834 k = 0.5000 0.3124 0.6369 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2119 -21.2119 -21.2116 -21.2115 -20.8540 -20.8539 -20.8529 -20.8529 -20.8153 -20.8153 -20.8144 -20.8144 -7.9260 -7.9260 -7.9240 -7.9240 -7.7452 -7.7452 -7.7430 -7.7430 -3.8583 -3.8582 -3.8579 -3.8579 -3.2867 -3.2867 -3.2846 -3.2846 -3.0016 -3.0015 -3.0010 -3.0009 -2.6854 -2.6854 -2.6838 -2.6838 -2.2181 -2.2181 -2.2173 -2.2173 -1.8484 -1.8484 -1.8478 -1.8478 4.3064 4.3065 4.3073 4.3073 4.9588 4.9588 4.9616 4.9616 5.2848 5.2855 k = 0.5000 0.3124 0.6124 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2118 -21.2118 -21.2115 -21.2115 -20.8538 -20.8538 -20.8528 -20.8528 -20.8153 -20.8153 -20.8144 -20.8144 -7.9427 -7.9427 -7.9408 -7.9408 -7.7439 -7.7439 -7.7418 -7.7418 -3.8255 -3.8254 -3.8251 -3.8251 -3.2856 -3.2855 -3.2834 -3.2834 -2.9912 -2.9912 -2.9906 -2.9905 -2.6771 -2.6771 -2.6754 -2.6754 -2.2195 -2.2194 -2.2186 -2.2185 -1.8537 -1.8537 -1.8531 -1.8531 4.2509 4.2510 4.2518 4.2518 4.9292 4.9292 4.9318 4.9318 5.2872 5.2874 k = 0.5000 0.3124 0.5879 ( 8060 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2118 -21.2118 -21.2114 -21.2114 -20.8537 -20.8537 -20.8526 -20.8526 -20.8154 -20.8154 -20.8144 -20.8144 -7.9599 -7.9599 -7.9582 -7.9582 -7.7425 -7.7425 -7.7405 -7.7405 -3.7924 -3.7924 -3.7920 -3.7920 -3.2830 -3.2830 -3.2808 -3.2807 -2.9811 -2.9810 -2.9804 -2.9803 -2.6684 -2.6683 -2.6665 -2.6665 -2.2204 -2.2203 -2.2195 -2.2194 -1.8595 -1.8595 -1.8588 -1.8588 4.1962 4.1963 4.1971 4.1971 4.8984 4.8984 4.9007 4.9008 5.2888 5.2914 k = 0.5000 0.3124 0.5634 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2117 -21.2117 -21.2113 -21.2113 -20.8536 -20.8536 -20.8524 -20.8524 -20.8154 -20.8154 -20.8144 -20.8144 -7.9776 -7.9776 -7.9760 -7.9760 -7.7409 -7.7409 -7.7390 -7.7390 -3.7595 -3.7595 -3.7591 -3.7591 -3.2788 -3.2787 -3.2765 -3.2764 -2.9713 -2.9712 -2.9705 -2.9704 -2.6590 -2.6590 -2.6571 -2.6571 -2.2208 -2.2208 -2.2199 -2.2199 -1.8656 -1.8656 -1.8649 -1.8649 4.1426 4.1426 4.1434 4.1434 4.8668 4.8668 4.8689 4.8689 5.2901 5.2912 k = 0.5000 0.3124 0.5389 ( 8048 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2116 -21.2116 -21.2113 -21.2113 -20.8535 -20.8534 -20.8522 -20.8522 -20.8154 -20.8154 -20.8145 -20.8144 -7.9955 -7.9955 -7.9940 -7.9940 -7.7392 -7.7391 -7.7374 -7.7374 -3.7275 -3.7275 -3.7270 -3.7270 -3.2724 -3.2724 -3.2701 -3.2701 -2.9619 -2.9618 -2.9611 -2.9610 -2.6493 -2.6493 -2.6472 -2.6472 -2.2208 -2.2208 -2.2199 -2.2198 -1.8721 -1.8721 -1.8713 -1.8713 4.0902 4.0902 4.0910 4.0910 4.8345 4.8345 4.8365 4.8365 5.2909 5.2921 k = 0.5000 0.3124 0.5144 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2115 -21.2115 -21.2112 -21.2112 -20.8533 -20.8533 -20.8520 -20.8520 -20.8155 -20.8154 -20.8144 -20.8144 -8.0136 -8.0136 -8.0122 -8.0122 -7.7373 -7.7373 -7.7356 -7.7356 -3.6970 -3.6969 -3.6965 -3.6964 -3.2636 -3.2636 -3.2612 -3.2612 -2.9530 -2.9529 -2.9521 -2.9520 -2.6391 -2.6391 -2.6369 -2.6369 -2.2202 -2.2202 -2.2193 -2.2192 -1.8789 -1.8789 -1.8781 -1.8781 4.0393 4.0393 4.0401 4.0401 4.8018 4.8018 4.8037 4.8037 5.2912 5.2939 k = 0.5000 0.3124 0.4899 ( 8034 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2114 -21.2114 -21.2111 -21.2111 -20.8531 -20.8531 -20.8519 -20.8519 -20.8155 -20.8155 -20.8145 -20.8145 -8.0317 -8.0317 -8.0304 -8.0304 -7.7354 -7.7354 -7.7338 -7.7338 -3.6686 -3.6686 -3.6680 -3.6679 -3.2519 -3.2519 -3.2496 -3.2495 -2.9447 -2.9446 -2.9437 -2.9436 -2.6285 -2.6285 -2.6262 -2.6262 -2.2191 -2.2190 -2.2182 -2.2181 -1.8862 -1.8862 -1.8854 -1.8854 3.9901 3.9901 3.9909 3.9909 4.7688 4.7688 4.7706 4.7706 5.2912 5.2922 k = 0.5000 0.3124 0.4654 ( 8034 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2114 -21.2113 -21.2110 -21.2110 -20.8530 -20.8530 -20.8517 -20.8517 -20.8155 -20.8155 -20.8145 -20.8145 -8.0496 -8.0496 -8.0484 -8.0484 -7.7334 -7.7334 -7.7319 -7.7319 -3.6429 -3.6429 -3.6422 -3.6422 -3.2371 -3.2370 -3.2348 -3.2347 -2.9370 -2.9369 -2.9358 -2.9358 -2.6176 -2.6176 -2.6151 -2.6151 -2.2173 -2.2173 -2.2164 -2.2164 -1.8939 -1.8939 -1.8930 -1.8930 3.9427 3.9427 3.9434 3.9435 4.7358 4.7358 4.7375 4.7375 5.2906 5.2911 k = 0.5000 0.3124 0.4409 ( 8022 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2113 -21.2112 -21.2109 -21.2109 -20.8528 -20.8528 -20.8515 -20.8515 -20.8155 -20.8155 -20.8145 -20.8145 -8.0673 -8.0673 -8.0662 -8.0662 -7.7313 -7.7313 -7.7300 -7.7300 -3.6204 -3.6203 -3.6196 -3.6196 -3.2189 -3.2188 -3.2166 -3.2166 -2.9298 -2.9297 -2.9285 -2.9285 -2.6063 -2.6063 -2.6037 -2.6037 -2.2150 -2.2149 -2.2141 -2.2140 -1.9020 -1.9020 -1.9010 -1.9010 3.8972 3.8973 3.8980 3.8980 4.7030 4.7030 4.7046 4.7046 5.2898 5.2905 k = 0.5000 0.3124 0.4164 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2112 -21.2112 -21.2109 -21.2109 -20.8526 -20.8526 -20.8514 -20.8514 -20.8156 -20.8155 -20.8145 -20.8145 -8.0847 -8.0847 -8.0837 -8.0837 -7.7293 -7.7292 -7.7280 -7.7280 -3.6013 -3.6012 -3.6005 -3.6004 -3.1973 -3.1973 -3.1952 -3.1951 -2.9232 -2.9231 -2.9218 -2.9217 -2.5948 -2.5948 -2.5921 -2.5921 -2.2121 -2.2121 -2.2112 -2.2112 -1.9105 -1.9105 -1.9095 -1.9095 3.8539 3.8539 3.8547 3.8547 4.6704 4.6705 4.6720 4.6720 5.2892 5.2909 k = 0.5000 0.3124 0.3919 ( 8034 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2111 -21.2111 -21.2108 -21.2108 -20.8525 -20.8525 -20.8512 -20.8512 -20.8156 -20.8156 -20.8146 -20.8146 -8.1016 -8.1016 -8.1006 -8.1006 -7.7272 -7.7272 -7.7260 -7.7260 -3.5855 -3.5855 -3.5847 -3.5846 -3.1728 -3.1728 -3.1708 -3.1708 -2.9170 -2.9170 -2.9155 -2.9154 -2.5832 -2.5832 -2.5804 -2.5804 -2.2088 -2.2087 -2.2079 -2.2078 -1.9194 -1.9194 -1.9184 -1.9184 3.8129 3.8129 3.8136 3.8136 4.6384 4.6384 4.6398 4.6398 5.2874 5.2882 k = 0.5000 0.3124 0.3674 ( 8036 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2110 -21.2110 -21.2107 -21.2107 -20.8523 -20.8523 -20.8511 -20.8511 -20.8156 -20.8156 -20.8146 -20.8146 -8.1179 -8.1179 -8.1170 -8.1170 -7.7251 -7.7251 -7.7241 -7.7241 -3.5730 -3.5729 -3.5721 -3.5720 -3.1459 -3.1459 -3.1440 -3.1440 -2.9113 -2.9112 -2.9095 -2.9095 -2.5714 -2.5714 -2.5685 -2.5685 -2.2049 -2.2049 -2.2041 -2.2040 -1.9288 -1.9288 -1.9277 -1.9277 3.7741 3.7741 3.7749 3.7749 4.6069 4.6069 4.6083 4.6083 5.2863 5.2877 k = 0.5000 0.3124 0.3429 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2110 -21.2110 -21.2107 -21.2107 -20.8521 -20.8521 -20.8510 -20.8510 -20.8156 -20.8156 -20.8147 -20.8147 -8.1336 -8.1336 -8.1328 -8.1328 -7.7231 -7.7231 -7.7221 -7.7221 -3.5633 -3.5632 -3.5623 -3.5623 -3.1174 -3.1173 -3.1156 -3.1155 -2.9056 -2.9056 -2.9037 -2.9036 -2.5595 -2.5595 -2.5565 -2.5565 -2.2008 -2.2007 -2.2000 -2.1999 -1.9385 -1.9385 -1.9374 -1.9374 3.7378 3.7379 3.7386 3.7386 4.5763 4.5763 4.5776 4.5776 5.2856 5.2868 k = 0.5000 0.3124 0.3184 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2109 -21.2109 -21.2106 -21.2106 -20.8520 -20.8520 -20.8509 -20.8508 -20.8156 -20.8156 -20.8147 -20.8147 -8.1485 -8.1485 -8.1478 -8.1478 -7.7212 -7.7211 -7.7202 -7.7202 -3.5559 -3.5559 -3.5550 -3.5550 -3.0881 -3.0881 -3.0863 -3.0863 -2.8999 -2.8999 -2.8977 -2.8976 -2.5476 -2.5476 -2.5446 -2.5446 -2.1964 -2.1964 -2.1956 -2.1956 -1.9486 -1.9486 -1.9475 -1.9475 3.7041 3.7041 3.7048 3.7048 4.5466 4.5466 4.5479 4.5479 5.2842 5.2854 k = 0.5000 0.3124 0.2939 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2108 -21.2108 -21.2106 -21.2105 -20.8518 -20.8518 -20.8507 -20.8507 -20.8156 -20.8156 -20.8148 -20.8148 -8.1627 -8.1627 -8.1620 -8.1620 -7.7192 -7.7192 -7.7184 -7.7184 -3.5506 -3.5505 -3.5496 -3.5496 -3.0591 -3.0591 -3.0574 -3.0574 -2.8937 -2.8936 -2.8911 -2.8911 -2.5358 -2.5358 -2.5328 -2.5328 -2.1919 -2.1918 -2.1911 -2.1911 -1.9589 -1.9589 -1.9578 -1.9578 3.6728 3.6728 3.6735 3.6735 4.5181 4.5181 4.5193 4.5193 5.2819 5.2840 k = 0.5000 0.3124 0.2694 ( 8056 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2107 -21.2107 -21.2105 -21.2105 -20.8517 -20.8516 -20.8506 -20.8506 -20.8156 -20.8156 -20.8148 -20.8148 -8.1759 -8.1759 -8.1753 -8.1753 -7.7174 -7.7174 -7.7166 -7.7166 -3.5468 -3.5467 -3.5458 -3.5458 -3.0317 -3.0317 -3.0299 -3.0299 -2.8864 -2.8863 -2.8835 -2.8834 -2.5242 -2.5242 -2.5212 -2.5212 -2.1874 -2.1873 -2.1867 -2.1866 -1.9695 -1.9695 -1.9684 -1.9684 3.6442 3.6442 3.6449 3.6449 4.4909 4.4909 4.4920 4.4920 5.2800 5.2826 k = 0.5000 0.3124 0.2450 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2107 -21.2107 -21.2104 -21.2104 -20.8515 -20.8515 -20.8505 -20.8505 -20.8156 -20.8156 -20.8149 -20.8148 -8.1882 -8.1882 -8.1876 -8.1876 -7.7157 -7.7157 -7.7150 -7.7150 -3.5442 -3.5441 -3.5433 -3.5432 -3.0070 -3.0070 -3.0050 -3.0050 -2.8773 -2.8772 -2.8740 -2.8739 -2.5128 -2.5128 -2.5098 -2.5098 -2.1830 -2.1830 -2.1823 -2.1823 -1.9802 -1.9802 -1.9791 -1.9791 3.6182 3.6182 3.6188 3.6188 4.4653 4.4653 4.4663 4.4663 5.2790 5.2802 k = 0.5000 0.3124 0.2205 ( 8052 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2106 -21.2106 -21.2104 -21.2104 -20.8513 -20.8513 -20.8505 -20.8504 -20.8156 -20.8156 -20.8149 -20.8149 -8.1995 -8.1995 -8.1990 -8.1990 -7.7141 -7.7141 -7.7134 -7.7134 -3.5425 -3.5425 -3.5417 -3.5416 -2.9862 -2.9862 -2.9841 -2.9841 -2.8656 -2.8656 -2.8621 -2.8620 -2.5017 -2.5017 -2.4987 -2.4987 -2.1790 -2.1789 -2.1783 -2.1782 -1.9908 -1.9908 -1.9897 -1.9897 3.5947 3.5948 3.5953 3.5954 4.4414 4.4414 4.4423 4.4423 5.2774 5.2782 k = 0.5000 0.3124 0.1960 ( 8046 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2105 -21.2105 -21.2104 -21.2103 -20.8512 -20.8512 -20.8504 -20.8504 -20.8156 -20.8156 -20.8150 -20.8149 -8.2097 -8.2097 -8.2093 -8.2093 -7.7126 -7.7126 -7.7120 -7.7120 -3.5415 -3.5415 -3.5407 -3.5407 -2.9699 -2.9699 -2.9678 -2.9678 -2.8512 -2.8512 -2.8476 -2.8476 -2.4910 -2.4910 -2.4881 -2.4881 -2.1753 -2.1753 -2.1747 -2.1746 -2.0012 -2.0012 -2.0001 -2.0001 3.5739 3.5739 3.5745 3.5745 4.4194 4.4194 4.4202 4.4202 5.2762 5.2788 k = 0.5000 0.3124 0.1715 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2105 -21.2104 -21.2103 -21.2103 -20.8510 -20.8510 -20.8503 -20.8503 -20.8156 -20.8155 -20.8150 -20.8150 -8.2188 -8.2188 -8.2184 -8.2184 -7.7112 -7.7112 -7.7107 -7.7107 -3.5410 -3.5410 -3.5403 -3.5403 -2.9581 -2.9580 -2.9561 -2.9561 -2.8346 -2.8345 -2.8311 -2.8311 -2.4808 -2.4808 -2.4780 -2.4780 -2.1722 -2.1722 -2.1716 -2.1716 -2.0112 -2.0111 -2.0101 -2.0101 3.5557 3.5557 3.5562 3.5562 4.3994 4.3994 4.4002 4.4002 5.2755 5.2772 k = 0.5000 0.3124 0.1470 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2104 -21.2104 -21.2103 -21.2102 -20.8509 -20.8509 -20.8503 -20.8502 -20.8155 -20.8155 -20.8150 -20.8150 -8.2268 -8.2268 -8.2265 -8.2265 -7.7100 -7.7100 -7.7096 -7.7096 -3.5409 -3.5409 -3.5403 -3.5402 -2.9497 -2.9497 -2.9480 -2.9480 -2.8170 -2.8170 -2.8139 -2.8139 -2.4712 -2.4712 -2.4687 -2.4686 -2.1698 -2.1698 -2.1693 -2.1692 -2.0204 -2.0204 -2.0194 -2.0194 3.5400 3.5401 3.5405 3.5405 4.3818 4.3818 4.3824 4.3824 5.2750 5.2760 k = 0.5000 0.3124 0.1225 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2104 -21.2103 -21.2102 -21.2102 -20.8508 -20.8508 -20.8502 -20.8502 -20.8155 -20.8155 -20.8151 -20.8151 -8.2336 -8.2336 -8.2333 -8.2333 -7.7090 -7.7090 -7.7087 -7.7086 -3.5410 -3.5409 -3.5404 -3.5404 -2.9440 -2.9440 -2.9426 -2.9426 -2.8000 -2.8000 -2.7973 -2.7973 -2.4624 -2.4624 -2.4601 -2.4601 -2.1681 -2.1680 -2.1676 -2.1676 -2.0286 -2.0286 -2.0277 -2.0277 3.5269 3.5269 3.5272 3.5273 4.3665 4.3665 4.3671 4.3671 5.2751 5.2766 k = 0.5000 0.3124 0.0980 ( 8010 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2103 -21.2102 -21.2102 -20.8506 -20.8506 -20.8502 -20.8502 -20.8154 -20.8154 -20.8151 -20.8151 -8.2392 -8.2392 -8.2390 -8.2390 -7.7081 -7.7081 -7.7078 -7.7078 -3.5411 -3.5411 -3.5407 -3.5407 -2.9401 -2.9401 -2.9391 -2.9390 -2.7846 -2.7846 -2.7824 -2.7824 -2.4546 -2.4546 -2.4526 -2.4526 -2.1670 -2.1670 -2.1666 -2.1666 -2.0357 -2.0356 -2.0349 -2.0349 3.5162 3.5162 3.5165 3.5165 4.3538 4.3538 4.3543 4.3543 5.2744 5.2757 k = 0.5000 0.3124 0.0735 ( 8014 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2103 -21.2102 -21.2102 -20.8506 -20.8505 -20.8502 -20.8502 -20.8154 -20.8154 -20.8152 -20.8151 -8.2436 -8.2436 -8.2434 -8.2434 -7.7074 -7.7074 -7.7072 -7.7072 -3.5413 -3.5413 -3.5410 -3.5410 -2.9375 -2.9375 -2.9368 -2.9367 -2.7718 -2.7718 -2.7702 -2.7702 -2.4480 -2.4480 -2.4465 -2.4465 -2.1666 -2.1665 -2.1662 -2.1662 -2.0413 -2.0412 -2.0407 -2.0406 3.5079 3.5079 3.5081 3.5082 4.3438 4.3438 4.3441 4.3442 5.2745 5.2757 k = 0.5000 0.3124 0.0490 ( 8022 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2103 -21.2102 -21.2102 -21.2102 -20.8505 -20.8505 -20.8503 -20.8502 -20.8154 -20.8154 -20.8152 -20.8152 -8.2467 -8.2467 -8.2466 -8.2466 -7.7069 -7.7069 -7.7068 -7.7068 -3.5415 -3.5415 -3.5413 -3.5412 -2.9359 -2.9359 -2.9354 -2.9353 -2.7622 -2.7622 -2.7611 -2.7611 -2.4430 -2.4430 -2.4420 -2.4419 -2.1665 -2.1664 -2.1662 -2.1662 -2.0453 -2.0453 -2.0449 -2.0448 3.5020 3.5020 3.5022 3.5022 4.3366 4.3366 4.3368 4.3368 5.2751 5.2759 k = 0.5000 0.3124 0.0245 ( 8020 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2102 -21.2102 -21.2102 -21.2102 -20.8504 -20.8504 -20.8503 -20.8503 -20.8153 -20.8153 -20.8153 -20.8152 -8.2486 -8.2486 -8.2485 -8.2485 -7.7066 -7.7066 -7.7065 -7.7065 -3.5416 -3.5416 -3.5415 -3.5414 -2.9349 -2.9349 -2.9346 -2.9346 -2.7562 -2.7562 -2.7556 -2.7556 -2.4398 -2.4398 -2.4392 -2.4392 -2.1665 -2.1665 -2.1663 -2.1663 -2.0477 -2.0477 -2.0474 -2.0474 3.4985 3.4986 3.4986 3.4986 4.3323 4.3323 4.3324 4.3324 5.2754 5.2758 k = 0.5000 0.3124 0.0000 ( 8026 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2102 -21.2102 -21.2102 -21.2102 -20.8503 -20.8503 -20.8503 -20.8503 -20.8153 -20.8153 -20.8153 -20.8153 -8.2493 -8.2493 -8.2492 -8.2492 -7.7065 -7.7065 -7.7064 -7.7064 -3.5416 -3.5416 -3.5416 -3.5416 -2.9345 -2.9345 -2.9345 -2.9345 -2.7540 -2.7540 -2.7539 -2.7539 -2.4385 -2.4385 -2.4384 -2.4384 -2.1666 -2.1666 -2.1664 -2.1664 -2.0484 -2.0484 -2.0484 -2.0484 3.4974 3.4974 3.4974 3.4974 4.3308 4.3308 4.3309 4.3309 5.2760 5.2761 k = 0.0000 0.0000 0.9436 ( 8032 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2123 -21.2123 -21.2120 -21.2120 -20.8544 -20.8544 -20.8544 -20.8544 -20.8149 -20.8149 -20.8145 -20.8145 -7.8173 -7.8173 -7.8173 -7.8173 -7.7404 -7.7404 -7.7404 -7.7404 -4.0956 -4.0956 -4.0956 -4.0956 -3.2642 -3.2642 -3.2636 -3.2636 -3.0934 -3.0934 -3.0933 -3.0933 -2.7371 -2.7371 -2.7371 -2.7371 -2.1995 -2.1995 -2.1994 -2.1994 -1.8146 -1.8146 -1.8145 -1.8145 4.8864 4.8864 4.8867 4.8867 5.0191 5.0191 5.0192 5.0192 5.2982 5.2983 k = 0.0208 0.0130 0.9436 ( 8024 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2124 -21.2123 -21.2120 -21.2120 -20.8545 -20.8545 -20.8542 -20.8542 -20.8150 -20.8147 -20.8147 -20.8144 -7.8175 -7.8175 -7.8170 -7.8170 -7.7407 -7.7407 -7.7401 -7.7401 -4.0955 -4.0955 -4.0954 -4.0954 -3.2648 -3.2646 -3.2642 -3.2640 -3.0935 -3.0935 -3.0933 -3.0933 -2.7367 -2.7367 -2.7364 -2.7364 -2.1993 -2.1992 -2.1991 -2.1991 -1.8149 -1.8149 -1.8148 -1.8148 4.8866 4.8867 4.8868 4.8870 5.0182 5.0182 5.0187 5.0188 5.2978 5.2983 k = 0.0417 0.0260 0.9436 ( 8038 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2124 -21.2123 -21.2120 -21.2120 -20.8547 -20.8547 -20.8541 -20.8541 -20.8152 -20.8148 -20.8146 -20.8143 -7.8178 -7.8178 -7.8166 -7.8166 -7.7411 -7.7411 -7.7399 -7.7399 -4.0951 -4.0950 -4.0950 -4.0949 -3.2665 -3.2662 -3.2659 -3.2656 -3.0937 -3.0937 -3.0936 -3.0936 -2.7355 -2.7355 -2.7349 -2.7348 -2.1987 -2.1985 -2.1983 -2.1983 -1.8157 -1.8156 -1.8156 -1.8156 4.8872 4.8873 4.8874 4.8877 5.0159 5.0159 5.0169 5.0170 5.2973 5.2979 k = 0.0625 0.0391 0.9436 ( 8066 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2125 -21.2123 -21.2121 -21.2121 -20.8549 -20.8548 -20.8539 -20.8539 -20.8154 -20.8150 -20.8145 -20.8142 -7.8179 -7.8179 -7.8162 -7.8162 -7.7415 -7.7415 -7.7398 -7.7398 -4.0943 -4.0943 -4.0942 -4.0942 -3.2691 -3.2686 -3.2686 -3.2681 -3.0941 -3.0940 -3.0939 -3.0939 -2.7334 -2.7334 -2.7325 -2.7325 -2.1976 -2.1974 -2.1971 -2.1971 -1.8170 -1.8169 -1.8169 -1.8168 4.8882 4.8883 4.8885 4.8889 5.0123 5.0123 5.0139 5.0140 5.2962 5.2970 k = 0.0833 0.0521 0.9436 ( 8058 PWs) bands (ev): -39.9192 -39.9192 -39.9192 -39.9192 -21.2125 -21.2123 -21.2121 -21.2121 -20.8550 -20.8550 -20.8538 -20.8538 -20.8155 -20.8151 -20.8143 -20.8141 -7.8180 -7.8180 -7.8158 -7.8158 -7.7420 -7.7419 -7.7397 -7.7397 -4.0934 -4.0933 -4.0932 -4.0932 -3.2725 -3.2720 -3.2719 -3.2713 -3.0945 -3.0944 -3.0943 -3.0943 -2.7306 -2.7306 -2.7295 -2.7294 -2.1961 -2.1959 -2.1955 -2.1955 -1.8186 -1.8186 -1.8186 -1.8185 4.8896 4.8897 4.8900 4.8905 5.0076 5.0078 5.0098 5.0099 5.2951 5.2968 k = 0.1042 0.0651 0.9436 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2121 -21.2120 -20.8551 -20.8551 -20.8537 -20.8536 -20.8156 -20.8152 -20.8142 -20.8140 -7.8181 -7.8181 -7.8154 -7.8154 -7.7424 -7.7424 -7.7396 -7.7396 -4.0922 -4.0921 -4.0920 -4.0920 -3.2764 -3.2759 -3.2756 -3.2751 -3.0949 -3.0948 -3.0948 -3.0948 -2.7274 -2.7274 -2.7261 -2.7260 -2.1944 -2.1941 -2.1936 -2.1936 -1.8205 -1.8205 -1.8205 -1.8204 4.8915 4.8915 4.8921 4.8926 5.0021 5.0023 5.0049 5.0049 5.2944 5.2955 k = 0.1250 0.0781 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2121 -21.2120 -20.8552 -20.8552 -20.8535 -20.8535 -20.8157 -20.8153 -20.8141 -20.8139 -7.8181 -7.8181 -7.8150 -7.8150 -7.7429 -7.7428 -7.7396 -7.7396 -4.0910 -4.0909 -4.0908 -4.0907 -3.2805 -3.2801 -3.2796 -3.2792 -3.0954 -3.0952 -3.0952 -3.0952 -2.7241 -2.7241 -2.7225 -2.7224 -2.1924 -2.1922 -2.1915 -2.1915 -1.8227 -1.8226 -1.8226 -1.8225 4.8937 4.8937 4.8945 4.8951 4.9960 4.9962 4.9993 4.9993 5.2927 5.2940 k = 0.1458 0.0911 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2121 -21.2120 -20.8553 -20.8553 -20.8534 -20.8534 -20.8158 -20.8154 -20.8140 -20.8138 -7.8181 -7.8181 -7.8146 -7.8146 -7.7433 -7.7433 -7.7396 -7.7396 -4.0897 -4.0897 -4.0895 -4.0895 -3.2847 -3.2842 -3.2836 -3.2833 -3.0958 -3.0957 -3.0957 -3.0956 -2.7207 -2.7207 -2.7190 -2.7189 -2.1905 -2.1902 -2.1895 -2.1895 -1.8248 -1.8248 -1.8247 -1.8247 4.8962 4.8963 4.8974 4.8979 4.9894 4.9898 4.9933 4.9933 5.2915 5.2932 k = 0.1667 0.1041 0.9436 ( 8046 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2122 -21.2121 -21.2121 -20.8554 -20.8554 -20.8533 -20.8533 -20.8160 -20.8155 -20.8139 -20.8138 -7.8181 -7.8181 -7.8142 -7.8142 -7.7437 -7.7437 -7.7396 -7.7396 -4.0886 -4.0885 -4.0883 -4.0883 -3.2885 -3.2880 -3.2873 -3.2870 -3.0962 -3.0961 -3.0960 -3.0960 -2.7177 -2.7177 -2.7158 -2.7157 -2.1886 -2.1883 -2.1875 -2.1875 -1.8269 -1.8268 -1.8268 -1.8267 4.8989 4.8990 4.9004 4.9009 4.9829 4.9833 4.9873 4.9874 5.2903 5.2930 k = 0.1875 0.1172 0.9436 ( 8030 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2120 -20.8554 -20.8554 -20.8532 -20.8532 -20.8160 -20.8155 -20.8138 -20.8137 -7.8180 -7.8180 -7.8139 -7.8139 -7.7440 -7.7440 -7.7397 -7.7397 -4.0876 -4.0875 -4.0873 -4.0873 -3.2917 -3.2913 -3.2905 -3.2903 -3.0964 -3.0964 -3.0963 -3.0963 -2.7151 -2.7151 -2.7131 -2.7130 -2.1869 -2.1866 -2.1857 -2.1857 -1.8286 -1.8286 -1.8285 -1.8285 4.9016 4.9017 4.9035 4.9041 4.9769 4.9774 4.9819 4.9819 5.2902 5.2909 k = 0.2083 0.1302 0.9436 ( 8042 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2121 -20.8555 -20.8555 -20.8532 -20.8532 -20.8161 -20.8156 -20.8137 -20.8137 -7.8180 -7.8180 -7.8136 -7.8136 -7.7442 -7.7442 -7.7397 -7.7397 -4.0868 -4.0868 -4.0865 -4.0865 -3.2942 -3.2938 -3.2929 -3.2928 -3.0967 -3.0966 -3.0966 -3.0965 -2.7131 -2.7131 -2.7110 -2.7109 -2.1857 -2.1853 -2.1844 -2.1844 -1.8300 -1.8299 -1.8299 -1.8299 4.9040 4.9040 4.9063 4.9068 4.9719 4.9724 4.9773 4.9774 5.2889 5.2904 k = 0.2292 0.1432 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2121 -20.8555 -20.8555 -20.8531 -20.8531 -20.8161 -20.8156 -20.8137 -20.8137 -7.8180 -7.8180 -7.8135 -7.8135 -7.7444 -7.7444 -7.7397 -7.7397 -4.0863 -4.0863 -4.0861 -4.0860 -3.2958 -3.2953 -3.2944 -3.2943 -3.0968 -3.0968 -3.0967 -3.0967 -2.7119 -2.7119 -2.7098 -2.7097 -2.1849 -2.1845 -2.1836 -2.1836 -1.8309 -1.8308 -1.8308 -1.8307 4.9056 4.9057 4.9082 4.9088 4.9685 4.9690 4.9744 4.9744 5.2889 5.2915 k = 0.2500 0.1562 0.9436 ( 8044 PWs) bands (ev): -39.9192 -39.9192 -39.9191 -39.9191 -21.2125 -21.2121 -21.2121 -21.2121 -20.8555 -20.8555 -20.8531 -20.8531 -20.8161 -20.8156 -20.8137 -20.8137 -7.8180 -7.8180 -7.8135 -7.8135 -7.7445 -7.7444 -7.7397 -7.7397 -4.0861 -4.0861 -4.0859 -4.0858 -3.2963 -3.2959 -3.2949 -3.2949 -3.0968 -3.0968 -3.0968 -3.0967 -2.7115 -2.7115 -2.7093 -2.7092 -2.1846 -2.1842 -2.1833 -2.1833 -1.8312 -1.8311 -1.8311 -1.8310 4.9062 4.9062 4.9090 4.9095 4.9673 4.9678 4.9733 4.9733 5.2884 5.2888 Writing output data file CaxBH4x2.save init_run : 1.20s CPU 0.84s WALL ( 1 calls) electrons : 628.78s CPU 528.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 628.77s CPU 528.08s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.02s WALL ( 1 calls) newd : 0.26s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.36s CPU 0.33s WALL ( 257 calls) cegterg : 572.12s CPU 495.51s WALL ( 1127 calls) Called by sum_band: Called by *egterg: h_psi : 340.29s CPU 253.15s WALL ( 21738 calls) s_psi : 15.05s CPU 12.75s WALL ( 21738 calls) g_psi : 0.95s CPU 0.78s WALL ( 20354 calls) cdiaghg : 187.70s CPU 183.04s WALL ( 20611 calls) cegterg:over : 25.79s CPU 24.27s WALL ( 20354 calls) cegterg:upda : 28.79s CPU 27.79s WALL ( 20354 calls) cegterg:last : 8.17s CPU 8.09s WALL ( 2028 calls) cdiaghg:chol : 10.50s CPU 10.58s WALL ( 20611 calls) cdiaghg:inve : 6.98s CPU 6.94s WALL ( 20611 calls) cdiaghg:para : 10.62s CPU 10.91s WALL ( 41222 calls) Called by h_psi: h_psi:vloc : 299.56s CPU 218.45s WALL ( 21738 calls) h_psi:vnl : 39.70s CPU 33.71s WALL ( 21738 calls) add_vuspsi : 19.68s CPU 16.08s WALL ( 21738 calls) General routines calbec : 19.94s CPU 17.56s WALL ( 21738 calls) fft : 0.10s CPU 0.08s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 265.80s CPU 189.18s WALL ( 1416736 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 1.27s WALL ( 514 calls) Parallel routines fft_scatter : 122.34s CPU 105.06s WALL ( 1416759 calls) PWSCF : 10m51.64s CPU 9m56.27s WALL This run was terminated on: 19: 4:43 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=