Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:30:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ZrCl4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 36 10 1475 1237 183 Max 43 37 11 1478 1254 186 Sum 2955 2639 733 106313 89665 13251 bravais-lattice index = 14 lattice parameter (alat) = 13.9972 a.u. unit-cell volume = 1877.3334 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.997200 celldm(2)= 0.844606 celldm(3)= 0.858782 celldm(4)= 0.330514 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.844606 0.000000 ) a(3) = ( 0.000000 0.283840 0.810519 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.183983 -0.414625 ) b(3) = ( 0.000000 0.000000 1.233777 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Cl 7.00 35.45300 Cl( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4223032 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4223032 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0000000 0.0228477), wk = 0.0043290 k( 3) = ( 0.0000000 0.0000000 0.0456954), wk = 0.0043290 k( 4) = ( 0.0000000 0.0000000 0.0685432), wk = 0.0043290 k( 5) = ( 0.0000000 0.0000000 0.0913909), wk = 0.0043290 k( 6) = ( 0.0000000 0.0000000 0.1142386), wk = 0.0043290 k( 7) = ( 0.0000000 0.0000000 0.1370863), wk = 0.0043290 k( 8) = ( 0.0000000 0.0000000 0.1599340), wk = 0.0043290 k( 9) = ( 0.0000000 0.0000000 0.1827817), wk = 0.0043290 k( 10) = ( 0.0000000 0.0000000 0.2056294), wk = 0.0043290 k( 11) = ( 0.0000000 0.0000000 0.2284772), wk = 0.0043290 k( 12) = ( 0.0000000 0.0000000 0.2513249), wk = 0.0043290 k( 13) = ( 0.0000000 0.0000000 0.2741726), wk = 0.0043290 k( 14) = ( 0.0000000 0.0000000 0.2970203), wk = 0.0043290 k( 15) = ( 0.0000000 0.0000000 0.3198680), wk = 0.0043290 k( 16) = ( 0.0000000 0.0000000 0.3427157), wk = 0.0043290 k( 17) = ( 0.0000000 0.0000000 0.3655634), wk = 0.0043290 k( 18) = ( 0.0000000 0.0000000 0.3884112), wk = 0.0043290 k( 19) = ( 0.0000000 0.0000000 0.4112589), wk = 0.0043290 k( 20) = ( 0.0000000 0.0000000 0.4341066), wk = 0.0043290 k( 21) = ( 0.0000000 0.0000000 0.4569543), wk = 0.0043290 k( 22) = ( 0.0000000 0.0000000 0.4798020), wk = 0.0043290 k( 23) = ( 0.0000000 0.0000000 0.5026497), wk = 0.0043290 k( 24) = ( 0.0000000 0.0000000 0.5254975), wk = 0.0043290 k( 25) = ( 0.0000000 0.0000000 0.5483452), wk = 0.0043290 k( 26) = ( 0.0000000 0.0000000 0.5711929), wk = 0.0043290 k( 27) = ( 0.0000000 0.0000000 0.5940406), wk = 0.0043290 k( 28) = ( 0.0000000 0.0000000 0.6168883), wk = 0.0043290 k( 29) = ( 0.0000000 0.0000000 0.6168883), wk = 0.0043290 k( 30) = ( 0.0000000 0.0224280 0.6168883), wk = 0.0043290 k( 31) = ( 0.0000000 0.0448560 0.6168883), wk = 0.0043290 k( 32) = ( 0.0000000 0.0672840 0.6168883), wk = 0.0043290 k( 33) = ( 0.0000000 0.0897121 0.6168883), wk = 0.0043290 k( 34) = ( 0.0000000 0.1121401 0.6168883), wk = 0.0043290 k( 35) = ( 0.0000000 0.1345681 0.6168883), wk = 0.0043290 k( 36) = ( 0.0000000 0.1569961 0.6168883), wk = 0.0043290 k( 37) = ( 0.0000000 0.1794241 0.6168883), wk = 0.0043290 k( 38) = ( 0.0000000 0.2018521 0.6168883), wk = 0.0043290 k( 39) = ( 0.0000000 0.2242801 0.6168883), wk = 0.0043290 k( 40) = ( 0.0000000 0.2467082 0.6168883), wk = 0.0043290 k( 41) = ( 0.0000000 0.2691362 0.6168883), wk = 0.0043290 k( 42) = ( 0.0000000 0.2915642 0.6168883), wk = 0.0043290 k( 43) = ( 0.0000000 0.3139922 0.6168883), wk = 0.0043290 k( 44) = ( 0.0000000 0.3364202 0.6168883), wk = 0.0043290 k( 45) = ( 0.0000000 0.3588482 0.6168883), wk = 0.0043290 k( 46) = ( 0.0000000 0.3812762 0.6168883), wk = 0.0043290 k( 47) = ( 0.0000000 0.4037043 0.6168883), wk = 0.0043290 k( 48) = ( 0.0000000 0.4261323 0.6168883), wk = 0.0043290 k( 49) = ( 0.0000000 0.4485603 0.6168883), wk = 0.0043290 k( 50) = ( 0.0000000 0.4485603 0.6168883), wk = 0.0043290 k( 51) = ( 0.0000000 0.4615995 0.5980417), wk = 0.0043290 k( 52) = ( 0.0000000 0.4746387 0.5791951), wk = 0.0043290 k( 53) = ( 0.0000000 0.4876779 0.5603485), wk = 0.0043290 k( 54) = ( 0.0000000 0.5007172 0.5415019), wk = 0.0043290 k( 55) = ( 0.0000000 0.5137564 0.5226553), wk = 0.0043290 k( 56) = ( 0.0000000 0.5267956 0.5038087), wk = 0.0043290 k( 57) = ( 0.0000000 0.5398348 0.4849622), wk = 0.0043290 k( 58) = ( 0.0000000 0.5528740 0.4661156), wk = 0.0043290 k( 59) = ( 0.0000000 0.5659133 0.4472690), wk = 0.0043290 k( 60) = ( 0.0000000 0.5789525 0.4284224), wk = 0.0043290 k( 61) = ( 0.0000000 0.5919917 0.4095758), wk = 0.0043290 k( 62) = ( 0.0000000 0.5919917 0.4095758), wk = 0.0043290 k( 63) = ( 0.0227273 0.5919917 0.4095758), wk = 0.0043290 k( 64) = ( 0.0454546 0.5919917 0.4095758), wk = 0.0043290 k( 65) = ( 0.0681818 0.5919917 0.4095758), wk = 0.0043290 k( 66) = ( 0.0909091 0.5919917 0.4095758), wk = 0.0043290 k( 67) = ( 0.1136364 0.5919917 0.4095758), wk = 0.0043290 k( 68) = ( 0.1363636 0.5919917 0.4095758), wk = 0.0043290 k( 69) = ( 0.1590909 0.5919917 0.4095758), wk = 0.0043290 k( 70) = ( 0.1818182 0.5919917 0.4095758), wk = 0.0043290 k( 71) = ( 0.2045454 0.5919917 0.4095758), wk = 0.0043290 k( 72) = ( 0.2272727 0.5919917 0.4095758), wk = 0.0043290 k( 73) = ( 0.2500000 0.5919917 0.4095758), wk = 0.0043290 k( 74) = ( 0.2727273 0.5919917 0.4095758), wk = 0.0043290 k( 75) = ( 0.2954545 0.5919917 0.4095758), wk = 0.0043290 k( 76) = ( 0.3181818 0.5919917 0.4095758), wk = 0.0043290 k( 77) = ( 0.3409091 0.5919917 0.4095758), wk = 0.0043290 k( 78) = ( 0.3636364 0.5919917 0.4095758), wk = 0.0043290 k( 79) = ( 0.3863636 0.5919917 0.4095758), wk = 0.0043290 k( 80) = ( 0.4090909 0.5919917 0.4095758), wk = 0.0043290 k( 81) = ( 0.4318182 0.5919917 0.4095758), wk = 0.0043290 k( 82) = ( 0.4545455 0.5919917 0.4095758), wk = 0.0043290 k( 83) = ( 0.4772727 0.5919917 0.4095758), wk = 0.0043290 k( 84) = ( 0.5000000 0.5919917 0.4095758), wk = 0.0043290 k( 85) = ( 0.5000000 0.5919917 0.4095758), wk = 0.0043290 k( 86) = ( 0.5000000 0.6050309 0.3907292), wk = 0.0043290 k( 87) = ( 0.5000000 0.6180701 0.3718826), wk = 0.0043290 k( 88) = ( 0.5000000 0.6311093 0.3530360), wk = 0.0043290 k( 89) = ( 0.5000000 0.6441486 0.3341894), wk = 0.0043290 k( 90) = ( 0.5000000 0.6571878 0.3153428), wk = 0.0043290 k( 91) = ( 0.5000000 0.6702270 0.2964962), wk = 0.0043290 k( 92) = ( 0.5000000 0.6832662 0.2776496), wk = 0.0043290 k( 93) = ( 0.5000000 0.6963054 0.2588030), wk = 0.0043290 k( 94) = ( 0.5000000 0.7093447 0.2399564), wk = 0.0043290 k( 95) = ( 0.5000000 0.7223839 0.2211098), wk = 0.0043290 k( 96) = ( 0.5000000 0.7354231 0.2022632), wk = 0.0043290 k( 97) = ( 0.5000000 0.7354231 0.2022632), wk = 0.0043290 k( 98) = ( 0.5000000 0.7278741 0.1807066), wk = 0.0043290 k( 99) = ( 0.5000000 0.7203250 0.1591500), wk = 0.0043290 k( 100) = ( 0.5000000 0.7127760 0.1375934), wk = 0.0043290 k( 101) = ( 0.5000000 0.7052270 0.1160367), wk = 0.0043290 k( 102) = ( 0.5000000 0.6976780 0.0944801), wk = 0.0043290 k( 103) = ( 0.5000000 0.6901290 0.0729235), wk = 0.0043290 k( 104) = ( 0.5000000 0.6825799 0.0513669), wk = 0.0043290 k( 105) = ( 0.5000000 0.6750309 0.0298103), wk = 0.0043290 k( 106) = ( 0.5000000 0.6674819 0.0082537), wk = 0.0043290 k( 107) = ( 0.5000000 0.6599329 -0.0133030), wk = 0.0043290 k( 108) = ( 0.5000000 0.6523839 -0.0348596), wk = 0.0043290 k( 109) = ( 0.5000000 0.6448348 -0.0564162), wk = 0.0043290 k( 110) = ( 0.5000000 0.6372858 -0.0779728), wk = 0.0043290 k( 111) = ( 0.5000000 0.6297368 -0.0995294), wk = 0.0043290 k( 112) = ( 0.5000000 0.6221878 -0.1210861), wk = 0.0043290 k( 113) = ( 0.5000000 0.6146388 -0.1426427), wk = 0.0043290 k( 114) = ( 0.5000000 0.6070897 -0.1641993), wk = 0.0043290 k( 115) = ( 0.5000000 0.5995407 -0.1857559), wk = 0.0043290 k( 116) = ( 0.5000000 0.5919917 -0.2073125), wk = 0.0043290 k( 117) = ( 0.5000000 0.5919917 -0.2073125), wk = 0.0043290 k( 118) = ( 0.4772727 0.5919917 -0.2073125), wk = 0.0043290 k( 119) = ( 0.4545455 0.5919917 -0.2073125), wk = 0.0043290 k( 120) = ( 0.4318182 0.5919917 -0.2073125), wk = 0.0043290 k( 121) = ( 0.4090909 0.5919917 -0.2073125), wk = 0.0043290 k( 122) = ( 0.3863636 0.5919917 -0.2073125), wk = 0.0043290 k( 123) = ( 0.3636364 0.5919917 -0.2073125), wk = 0.0043290 k( 124) = ( 0.3409091 0.5919917 -0.2073125), wk = 0.0043290 k( 125) = ( 0.3181818 0.5919917 -0.2073125), wk = 0.0043290 k( 126) = ( 0.2954545 0.5919917 -0.2073125), wk = 0.0043290 k( 127) = ( 0.2727273 0.5919917 -0.2073125), wk = 0.0043290 k( 128) = ( 0.2500000 0.5919917 -0.2073125), wk = 0.0043290 k( 129) = ( 0.2272727 0.5919917 -0.2073125), wk = 0.0043290 k( 130) = ( 0.2045454 0.5919917 -0.2073125), wk = 0.0043290 k( 131) = ( 0.1818182 0.5919917 -0.2073125), wk = 0.0043290 k( 132) = ( 0.1590909 0.5919917 -0.2073125), wk = 0.0043290 k( 133) = ( 0.1363636 0.5919917 -0.2073125), wk = 0.0043290 k( 134) = ( 0.1136364 0.5919917 -0.2073125), wk = 0.0043290 k( 135) = ( 0.0909091 0.5919917 -0.2073125), wk = 0.0043290 k( 136) = ( 0.0681818 0.5919917 -0.2073125), wk = 0.0043290 k( 137) = ( 0.0454546 0.5919917 -0.2073125), wk = 0.0043290 k( 138) = ( 0.0227273 0.5919917 -0.2073125), wk = 0.0043290 k( 139) = ( 0.0000000 0.5919917 -0.2073125), wk = 0.0043290 k( 140) = ( 0.0000000 0.5919917 -0.2073125), wk = 0.0043290 k( 141) = ( 0.0000000 0.5995407 -0.1857559), wk = 0.0043290 k( 142) = ( 0.0000000 0.6070897 -0.1641993), wk = 0.0043290 k( 143) = ( 0.0000000 0.6146388 -0.1426427), wk = 0.0043290 k( 144) = ( 0.0000000 0.6221878 -0.1210861), wk = 0.0043290 k( 145) = ( 0.0000000 0.6297368 -0.0995294), wk = 0.0043290 k( 146) = ( 0.0000000 0.6372858 -0.0779728), wk = 0.0043290 k( 147) = ( 0.0000000 0.6448348 -0.0564162), wk = 0.0043290 k( 148) = ( 0.0000000 0.6523839 -0.0348596), wk = 0.0043290 k( 149) = ( 0.0000000 0.6599329 -0.0133030), wk = 0.0043290 k( 150) = ( 0.0000000 0.6674819 0.0082537), wk = 0.0043290 k( 151) = ( 0.0000000 0.6750309 0.0298103), wk = 0.0043290 k( 152) = ( 0.0000000 0.6825799 0.0513669), wk = 0.0043290 k( 153) = ( 0.0000000 0.6901290 0.0729235), wk = 0.0043290 k( 154) = ( 0.0000000 0.6976780 0.0944801), wk = 0.0043290 k( 155) = ( 0.0000000 0.7052270 0.1160367), wk = 0.0043290 k( 156) = ( 0.0000000 0.7127760 0.1375934), wk = 0.0043290 k( 157) = ( 0.0000000 0.7203250 0.1591500), wk = 0.0043290 k( 158) = ( 0.0000000 0.7278741 0.1807066), wk = 0.0043290 k( 159) = ( 0.0000000 0.7354231 0.2022632), wk = 0.0043290 k( 160) = ( 0.5000000 0.4485603 0.6168883), wk = 0.0043290 k( 161) = ( 0.5000000 0.4261323 0.6168883), wk = 0.0043290 k( 162) = ( 0.5000000 0.4037043 0.6168883), wk = 0.0043290 k( 163) = ( 0.5000000 0.3812762 0.6168883), wk = 0.0043290 k( 164) = ( 0.5000000 0.3588482 0.6168883), wk = 0.0043290 k( 165) = ( 0.5000000 0.3364202 0.6168883), wk = 0.0043290 k( 166) = ( 0.5000000 0.3139922 0.6168883), wk = 0.0043290 k( 167) = ( 0.5000000 0.2915642 0.6168883), wk = 0.0043290 k( 168) = ( 0.5000000 0.2691362 0.6168883), wk = 0.0043290 k( 169) = ( 0.5000000 0.2467082 0.6168883), wk = 0.0043290 k( 170) = ( 0.5000000 0.2242801 0.6168883), wk = 0.0043290 k( 171) = ( 0.5000000 0.2018521 0.6168883), wk = 0.0043290 k( 172) = ( 0.5000000 0.1794241 0.6168883), wk = 0.0043290 k( 173) = ( 0.5000000 0.1569961 0.6168883), wk = 0.0043290 k( 174) = ( 0.5000000 0.1345681 0.6168883), wk = 0.0043290 k( 175) = ( 0.5000000 0.1121401 0.6168883), wk = 0.0043290 k( 176) = ( 0.5000000 0.0897121 0.6168883), wk = 0.0043290 k( 177) = ( 0.5000000 0.0672840 0.6168883), wk = 0.0043290 k( 178) = ( 0.5000000 0.0448560 0.6168883), wk = 0.0043290 k( 179) = ( 0.5000000 0.0224280 0.6168883), wk = 0.0043290 k( 180) = ( 0.5000000 -0.0000000 0.6168883), wk = 0.0043290 k( 181) = ( 0.5000000 -0.0000000 0.6168883), wk = 0.0043290 k( 182) = ( 0.5000000 -0.0000000 0.5940406), wk = 0.0043290 k( 183) = ( 0.5000000 -0.0000000 0.5711929), wk = 0.0043290 k( 184) = ( 0.5000000 -0.0000000 0.5483452), wk = 0.0043290 k( 185) = ( 0.5000000 -0.0000000 0.5254975), wk = 0.0043290 k( 186) = ( 0.5000000 -0.0000000 0.5026497), wk = 0.0043290 k( 187) = ( 0.5000000 -0.0000000 0.4798020), wk = 0.0043290 k( 188) = ( 0.5000000 -0.0000000 0.4569543), wk = 0.0043290 k( 189) = ( 0.5000000 -0.0000000 0.4341066), wk = 0.0043290 k( 190) = ( 0.5000000 -0.0000000 0.4112589), wk = 0.0043290 k( 191) = ( 0.5000000 -0.0000000 0.3884112), wk = 0.0043290 k( 192) = ( 0.5000000 -0.0000000 0.3655634), wk = 0.0043290 k( 193) = ( 0.5000000 -0.0000000 0.3427157), wk = 0.0043290 k( 194) = ( 0.5000000 -0.0000000 0.3198680), wk = 0.0043290 k( 195) = ( 0.5000000 -0.0000000 0.2970203), wk = 0.0043290 k( 196) = ( 0.5000000 -0.0000000 0.2741726), wk = 0.0043290 k( 197) = ( 0.5000000 -0.0000000 0.2513249), wk = 0.0043290 k( 198) = ( 0.5000000 -0.0000000 0.2284772), wk = 0.0043290 k( 199) = ( 0.5000000 -0.0000000 0.2056294), wk = 0.0043290 k( 200) = ( 0.5000000 -0.0000000 0.1827817), wk = 0.0043290 k( 201) = ( 0.5000000 -0.0000000 0.1599340), wk = 0.0043290 k( 202) = ( 0.5000000 -0.0000000 0.1370863), wk = 0.0043290 k( 203) = ( 0.5000000 -0.0000000 0.1142386), wk = 0.0043290 k( 204) = ( 0.5000000 -0.0000000 0.0913909), wk = 0.0043290 k( 205) = ( 0.5000000 -0.0000000 0.0685432), wk = 0.0043290 k( 206) = ( 0.5000000 -0.0000000 0.0456954), wk = 0.0043290 k( 207) = ( 0.5000000 -0.0000000 0.0228477), wk = 0.0043290 k( 208) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0043290 k( 209) = ( 0.0000000 0.0000000 0.6168883), wk = 0.0043290 k( 210) = ( 0.0227273 -0.0000000 0.6168883), wk = 0.0043290 k( 211) = ( 0.0454546 -0.0000000 0.6168883), wk = 0.0043290 k( 212) = ( 0.0681818 -0.0000000 0.6168883), wk = 0.0043290 k( 213) = ( 0.0909091 -0.0000000 0.6168883), wk = 0.0043290 k( 214) = ( 0.1136364 -0.0000000 0.6168883), wk = 0.0043290 k( 215) = ( 0.1363636 -0.0000000 0.6168883), wk = 0.0043290 k( 216) = ( 0.1590909 -0.0000000 0.6168883), wk = 0.0043290 k( 217) = ( 0.1818182 -0.0000000 0.6168883), wk = 0.0043290 k( 218) = ( 0.2045454 -0.0000000 0.6168883), wk = 0.0043290 k( 219) = ( 0.2272727 -0.0000000 0.6168883), wk = 0.0043290 k( 220) = ( 0.2500000 -0.0000000 0.6168883), wk = 0.0043290 k( 221) = ( 0.2727273 -0.0000000 0.6168883), wk = 0.0043290 k( 222) = ( 0.2954545 -0.0000000 0.6168883), wk = 0.0043290 k( 223) = ( 0.3181818 -0.0000000 0.6168883), wk = 0.0043290 k( 224) = ( 0.3409091 -0.0000000 0.6168883), wk = 0.0043290 k( 225) = ( 0.3636364 -0.0000000 0.6168883), wk = 0.0043290 k( 226) = ( 0.3863636 -0.0000000 0.6168883), wk = 0.0043290 k( 227) = ( 0.4090909 -0.0000000 0.6168883), wk = 0.0043290 k( 228) = ( 0.4318182 -0.0000000 0.6168883), wk = 0.0043290 k( 229) = ( 0.4545455 -0.0000000 0.6168883), wk = 0.0043290 k( 230) = ( 0.4772727 -0.0000000 0.6168883), wk = 0.0043290 k( 231) = ( 0.5000000 -0.0000000 0.6168883), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0043290 k( 3) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0043290 k( 4) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0043290 k( 5) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0043290 k( 6) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0043290 k( 7) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0043290 k( 8) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0043290 k( 9) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0043290 k( 10) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0043290 k( 11) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0043290 k( 12) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0043290 k( 13) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0043290 k( 14) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0043290 k( 15) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0043290 k( 16) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0043290 k( 17) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0043290 k( 18) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0043290 k( 19) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0043290 k( 20) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0043290 k( 21) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0043290 k( 22) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0043290 k( 23) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0043290 k( 24) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0043290 k( 25) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0043290 k( 26) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0043290 k( 27) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0043290 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.0189429 0.5063660), wk = 0.0043290 k( 31) = ( 0.0000000 0.0378857 0.5127319), wk = 0.0043290 k( 32) = ( 0.0000000 0.0568285 0.5190979), wk = 0.0043290 k( 33) = ( 0.0000000 0.0757714 0.5254639), wk = 0.0043290 k( 34) = ( 0.0000000 0.0947142 0.5318298), wk = 0.0043290 k( 35) = ( 0.0000000 0.1136571 0.5381958), wk = 0.0043290 k( 36) = ( 0.0000000 0.1325999 0.5445618), wk = 0.0043290 k( 37) = ( 0.0000000 0.1515428 0.5509277), wk = 0.0043290 k( 38) = ( 0.0000000 0.1704856 0.5572937), wk = 0.0043290 k( 39) = ( 0.0000000 0.1894285 0.5636596), wk = 0.0043290 k( 40) = ( 0.0000000 0.2083713 0.5700256), wk = 0.0043290 k( 41) = ( 0.0000000 0.2273142 0.5763916), wk = 0.0043290 k( 42) = ( 0.0000000 0.2462570 0.5827575), wk = 0.0043290 k( 43) = ( 0.0000000 0.2651998 0.5891235), wk = 0.0043290 k( 44) = ( 0.0000000 0.2841427 0.5954895), wk = 0.0043290 k( 45) = ( 0.0000000 0.3030855 0.6018554), wk = 0.0043290 k( 46) = ( 0.0000000 0.3220284 0.6082214), wk = 0.0043290 k( 47) = ( 0.0000000 0.3409712 0.6145874), wk = 0.0043290 k( 48) = ( 0.0000000 0.3599141 0.6209533), wk = 0.0043290 k( 49) = ( 0.0000000 0.3788569 0.6273193), wk = 0.0043290 k( 50) = ( 0.0000000 0.3788569 0.6273193), wk = 0.0043290 k( 51) = ( 0.0000000 0.3898699 0.6157448), wk = 0.0043290 k( 52) = ( 0.0000000 0.4008829 0.6041703), wk = 0.0043290 k( 53) = ( 0.0000000 0.4118959 0.5925959), wk = 0.0043290 k( 54) = ( 0.0000000 0.4229090 0.5810214), wk = 0.0043290 k( 55) = ( 0.0000000 0.4339220 0.5694469), wk = 0.0043290 k( 56) = ( 0.0000000 0.4449350 0.5578724), wk = 0.0043290 k( 57) = ( 0.0000000 0.4559480 0.5462979), wk = 0.0043290 k( 58) = ( 0.0000000 0.4669610 0.5347234), wk = 0.0043290 k( 59) = ( 0.0000000 0.4779740 0.5231490), wk = 0.0043290 k( 60) = ( 0.0000000 0.4889870 0.5115745), wk = 0.0043290 k( 61) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043290 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043290 k( 63) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0043290 k( 64) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0043290 k( 65) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0043290 k( 66) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0043290 k( 67) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0043290 k( 68) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0043290 k( 69) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0043290 k( 70) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0043290 k( 71) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0043290 k( 72) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0043290 k( 73) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0043290 k( 74) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0043290 k( 75) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0043290 k( 76) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0043290 k( 77) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0043290 k( 78) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0043290 k( 79) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0043290 k( 80) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0043290 k( 81) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0043290 k( 82) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0043290 k( 83) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0043290 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 86) = ( 0.5000000 0.5110130 0.4884255), wk = 0.0043290 k( 87) = ( 0.5000000 0.5220260 0.4768510), wk = 0.0043290 k( 88) = ( 0.5000000 0.5330390 0.4652766), wk = 0.0043290 k( 89) = ( 0.5000000 0.5440520 0.4537021), wk = 0.0043290 k( 90) = ( 0.5000000 0.5550650 0.4421276), wk = 0.0043290 k( 91) = ( 0.5000000 0.5660780 0.4305531), wk = 0.0043290 k( 92) = ( 0.5000000 0.5770911 0.4189786), wk = 0.0043290 k( 93) = ( 0.5000000 0.5881041 0.4074041), wk = 0.0043290 k( 94) = ( 0.5000000 0.5991171 0.3958297), wk = 0.0043290 k( 95) = ( 0.5000000 0.6101301 0.3842552), wk = 0.0043290 k( 96) = ( 0.5000000 0.6211431 0.3726807), wk = 0.0043290 k( 97) = ( 0.5000000 0.6211431 0.3726807), wk = 0.0043290 k( 98) = ( 0.5000000 0.6147671 0.3530659), wk = 0.0043290 k( 99) = ( 0.5000000 0.6083912 0.3334511), wk = 0.0043290 k( 100) = ( 0.5000000 0.6020152 0.3138364), wk = 0.0043290 k( 101) = ( 0.5000000 0.5956393 0.2942216), wk = 0.0043290 k( 102) = ( 0.5000000 0.5892633 0.2746068), wk = 0.0043290 k( 103) = ( 0.5000000 0.5828874 0.2549921), wk = 0.0043290 k( 104) = ( 0.5000000 0.5765114 0.2353773), wk = 0.0043290 k( 105) = ( 0.5000000 0.5701355 0.2157625), wk = 0.0043290 k( 106) = ( 0.5000000 0.5637595 0.1961477), wk = 0.0043290 k( 107) = ( 0.5000000 0.5573836 0.1765330), wk = 0.0043290 k( 108) = ( 0.5000000 0.5510076 0.1569182), wk = 0.0043290 k( 109) = ( 0.5000000 0.5446317 0.1373034), wk = 0.0043290 k( 110) = ( 0.5000000 0.5382557 0.1176886), wk = 0.0043290 k( 111) = ( 0.5000000 0.5318798 0.0980739), wk = 0.0043290 k( 112) = ( 0.5000000 0.5255038 0.0784591), wk = 0.0043290 k( 113) = ( 0.5000000 0.5191279 0.0588443), wk = 0.0043290 k( 114) = ( 0.5000000 0.5127519 0.0392296), wk = 0.0043290 k( 115) = ( 0.5000000 0.5063760 0.0196148), wk = 0.0043290 k( 116) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 118) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0043290 k( 119) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0043290 k( 120) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0043290 k( 121) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0043290 k( 122) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0043290 k( 123) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0043290 k( 124) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0043290 k( 125) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0043290 k( 126) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0043290 k( 127) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0043290 k( 128) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 129) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0043290 k( 130) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0043290 k( 131) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0043290 k( 132) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0043290 k( 133) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0043290 k( 134) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0043290 k( 135) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0043290 k( 136) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0043290 k( 137) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0043290 k( 138) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0043290 k( 139) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 140) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 141) = ( 0.0000000 0.5063760 0.0196148), wk = 0.0043290 k( 142) = ( 0.0000000 0.5127519 0.0392296), wk = 0.0043290 k( 143) = ( 0.0000000 0.5191279 0.0588443), wk = 0.0043290 k( 144) = ( 0.0000000 0.5255038 0.0784591), wk = 0.0043290 k( 145) = ( 0.0000000 0.5318798 0.0980739), wk = 0.0043290 k( 146) = ( 0.0000000 0.5382557 0.1176886), wk = 0.0043290 k( 147) = ( 0.0000000 0.5446317 0.1373034), wk = 0.0043290 k( 148) = ( 0.0000000 0.5510076 0.1569182), wk = 0.0043290 k( 149) = ( 0.0000000 0.5573836 0.1765330), wk = 0.0043290 k( 150) = ( 0.0000000 0.5637595 0.1961477), wk = 0.0043290 k( 151) = ( 0.0000000 0.5701355 0.2157625), wk = 0.0043290 k( 152) = ( 0.0000000 0.5765114 0.2353773), wk = 0.0043290 k( 153) = ( 0.0000000 0.5828874 0.2549921), wk = 0.0043290 k( 154) = ( 0.0000000 0.5892633 0.2746068), wk = 0.0043290 k( 155) = ( 0.0000000 0.5956393 0.2942216), wk = 0.0043290 k( 156) = ( 0.0000000 0.6020152 0.3138364), wk = 0.0043290 k( 157) = ( 0.0000000 0.6083912 0.3334511), wk = 0.0043290 k( 158) = ( 0.0000000 0.6147671 0.3530659), wk = 0.0043290 k( 159) = ( 0.0000000 0.6211431 0.3726807), wk = 0.0043290 k( 160) = ( 0.5000000 0.3788569 0.6273193), wk = 0.0043290 k( 161) = ( 0.5000000 0.3599141 0.6209533), wk = 0.0043290 k( 162) = ( 0.5000000 0.3409712 0.6145874), wk = 0.0043290 k( 163) = ( 0.5000000 0.3220284 0.6082214), wk = 0.0043290 k( 164) = ( 0.5000000 0.3030855 0.6018554), wk = 0.0043290 k( 165) = ( 0.5000000 0.2841427 0.5954895), wk = 0.0043290 k( 166) = ( 0.5000000 0.2651998 0.5891235), wk = 0.0043290 k( 167) = ( 0.5000000 0.2462570 0.5827575), wk = 0.0043290 k( 168) = ( 0.5000000 0.2273142 0.5763916), wk = 0.0043290 k( 169) = ( 0.5000000 0.2083713 0.5700256), wk = 0.0043290 k( 170) = ( 0.5000000 0.1894285 0.5636596), wk = 0.0043290 k( 171) = ( 0.5000000 0.1704856 0.5572937), wk = 0.0043290 k( 172) = ( 0.5000000 0.1515428 0.5509277), wk = 0.0043290 k( 173) = ( 0.5000000 0.1325999 0.5445618), wk = 0.0043290 k( 174) = ( 0.5000000 0.1136571 0.5381958), wk = 0.0043290 k( 175) = ( 0.5000000 0.0947142 0.5318298), wk = 0.0043290 k( 176) = ( 0.5000000 0.0757714 0.5254639), wk = 0.0043290 k( 177) = ( 0.5000000 0.0568285 0.5190979), wk = 0.0043290 k( 178) = ( 0.5000000 0.0378857 0.5127319), wk = 0.0043290 k( 179) = ( 0.5000000 0.0189429 0.5063660), wk = 0.0043290 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043290 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043290 k( 182) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0043290 k( 183) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0043290 k( 184) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0043290 k( 185) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0043290 k( 186) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0043290 k( 187) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0043290 k( 188) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0043290 k( 189) = ( 0.5000000 0.0000000 0.3518518), wk = 0.0043290 k( 190) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0043290 k( 191) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0043290 k( 192) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0043290 k( 193) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0043290 k( 194) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0043290 k( 195) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0043290 k( 196) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0043290 k( 197) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0043290 k( 198) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0043290 k( 199) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0043290 k( 200) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0043290 k( 201) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0043290 k( 202) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0043290 k( 203) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0043290 k( 204) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0043290 k( 205) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0043290 k( 206) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0043290 k( 207) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0043290 k( 208) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0043290 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043290 k( 210) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0043290 k( 211) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0043290 k( 212) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0043290 k( 213) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0043290 k( 214) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0043290 k( 215) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0043290 k( 216) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0043290 k( 217) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0043290 k( 218) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0043290 k( 219) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0043290 k( 220) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0043290 k( 221) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0043290 k( 222) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0043290 k( 223) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0043290 k( 224) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0043290 k( 225) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0043290 k( 226) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0043290 k( 227) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0043290 k( 228) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0043290 k( 229) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0043290 k( 230) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0043290 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043290 Dense grid: 106313 G-vectors FFT dimensions: ( 72, 60, 60) Smooth grid: 89665 G-vectors FFT dimensions: ( 64, 54, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 330, 76) NL pseudopotentials 0.77 Mb ( 165, 304) Each V/rho on FFT grid 0.07 Mb ( 4320) Each G-vector array 0.01 Mb ( 1478) G-vector shells 0.01 Mb ( 1370) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.53 Mb ( 330, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.71 Mb ( 304, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZrCl4.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.1 secs Computing kpt #: 12 total cpu time spent up to now is 18.6 secs Computing kpt #: 13 total cpu time spent up to now is 20.0 secs Computing kpt #: 14 total cpu time spent up to now is 21.4 secs Computing kpt #: 15 total cpu time spent up to now is 22.9 secs Computing kpt #: 16 total cpu time spent up to now is 24.2 secs Computing kpt #: 17 total cpu time spent up to now is 25.6 secs Computing kpt #: 18 total cpu time spent up to now is 27.0 secs Computing kpt #: 19 total cpu time spent up to now is 28.4 secs Computing kpt #: 20 total cpu time spent up to now is 29.8 secs Computing kpt #: 21 total cpu time spent up to now is 31.3 secs Computing kpt #: 22 total cpu time spent up to now is 32.7 secs Computing kpt #: 23 total cpu time spent up to now is 34.1 secs Computing kpt #: 24 total cpu time spent up to now is 35.5 secs Computing kpt #: 25 total cpu time spent up to now is 36.9 secs Computing kpt #: 26 total cpu time spent up to now is 38.3 secs Computing kpt #: 27 total cpu time spent up to now is 39.7 secs Computing kpt #: 28 total cpu time spent up to now is 41.1 secs Computing kpt #: 29 total cpu time spent up to now is 42.5 secs Computing kpt #: 30 total cpu time spent up to now is 43.8 secs Computing kpt #: 31 total cpu time spent up to now is 45.2 secs Computing kpt #: 32 total cpu time spent up to now is 46.6 secs Computing kpt #: 33 total cpu time spent up to now is 48.0 secs Computing kpt #: 34 total cpu time spent up to now is 49.4 secs Computing kpt #: 35 total cpu time spent up to now is 51.0 secs Computing kpt #: 36 total cpu time spent up to now is 52.3 secs Computing kpt #: 37 total cpu time spent up to now is 53.7 secs Computing kpt #: 38 total cpu time spent up to now is 55.1 secs Computing kpt #: 39 total cpu time spent up to now is 56.4 secs Computing kpt #: 40 total cpu time spent up to now is 57.8 secs Computing kpt #: 41 total cpu time spent up to now is 59.2 secs Computing kpt #: 42 total cpu time spent up to now is 60.6 secs Computing kpt #: 43 total cpu time spent up to now is 62.0 secs Computing kpt #: 44 total cpu time spent up to now is 63.4 secs Computing kpt #: 45 total cpu time spent up to now is 64.8 secs Computing kpt #: 46 total cpu time spent up to now is 66.2 secs Computing kpt #: 47 total cpu time spent up to now is 67.6 secs Computing kpt #: 48 total cpu time spent up to now is 69.0 secs Computing kpt #: 49 total cpu time spent up to now is 70.3 secs Computing kpt #: 50 total cpu time spent up to now is 71.7 secs Computing kpt #: 51 total cpu time spent up to now is 73.1 secs Computing kpt #: 52 total cpu time spent up to now is 74.5 secs Computing kpt #: 53 total cpu time spent up to now is 75.9 secs Computing kpt #: 54 total cpu time spent up to now is 77.3 secs Computing kpt #: 55 total cpu time spent up to now is 78.6 secs Computing kpt #: 56 total cpu time spent up to now is 80.0 secs Computing kpt #: 57 total cpu time spent up to now is 81.4 secs Computing kpt #: 58 total cpu time spent up to now is 82.8 secs Computing kpt #: 59 total cpu time spent up to now is 84.1 secs Computing kpt #: 60 total cpu time spent up to now is 85.5 secs Computing kpt #: 61 total cpu time spent up to now is 86.9 secs Computing kpt #: 62 total cpu time spent up to now is 88.3 secs Computing kpt #: 63 total cpu time spent up to now is 89.7 secs Computing kpt #: 64 total cpu time spent up to now is 91.0 secs Computing kpt #: 65 total cpu time spent up to now is 92.4 secs Computing kpt #: 66 total cpu time spent up to now is 93.8 secs Computing kpt #: 67 total cpu time spent up to now is 95.1 secs Computing kpt #: 68 total cpu time spent up to now is 96.5 secs Computing kpt #: 69 total cpu time spent up to now is 97.9 secs Computing kpt #: 70 total cpu time spent up to now is 99.3 secs Computing kpt #: 71 total cpu time spent up to now is 100.7 secs Computing kpt #: 72 total cpu time spent up to now is 102.0 secs Computing kpt #: 73 total cpu time spent up to now is 103.4 secs Computing kpt #: 74 total cpu time spent up to now is 104.8 secs Computing kpt #: 75 total cpu time spent up to now is 106.2 secs Computing kpt #: 76 total cpu time spent up to now is 107.6 secs Computing kpt #: 77 total cpu time spent up to now is 109.0 secs Computing kpt #: 78 total cpu time spent up to now is 110.4 secs Computing kpt #: 79 total cpu time spent up to now is 112.1 secs Computing kpt #: 80 total cpu time spent up to now is 113.6 secs Computing kpt #: 81 total cpu time spent up to now is 115.0 secs Computing kpt #: 82 total cpu time spent up to now is 116.4 secs Computing kpt #: 83 total cpu time spent up to now is 117.9 secs Computing kpt #: 84 total cpu time spent up to now is 119.3 secs Computing kpt #: 85 total cpu time spent up to now is 120.7 secs Computing kpt #: 86 total cpu time spent up to now is 122.1 secs Computing kpt #: 87 total cpu time spent up to now is 123.5 secs Computing kpt #: 88 total cpu time spent up to now is 124.9 secs Computing kpt #: 89 total cpu time spent up to now is 126.3 secs Computing kpt #: 90 total cpu time spent up to now is 127.7 secs Computing kpt #: 91 total cpu time spent up to now is 129.1 secs Computing kpt #: 92 total cpu time spent up to now is 130.5 secs Computing kpt #: 93 total cpu time spent up to now is 131.9 secs Computing kpt #: 94 total cpu time spent up to now is 133.3 secs Computing kpt #: 95 total cpu time spent up to now is 134.7 secs Computing kpt #: 96 total cpu time spent up to now is 136.1 secs Computing kpt #: 97 total cpu time spent up to now is 137.5 secs Computing kpt #: 98 total cpu time spent up to now is 138.9 secs Computing kpt #: 99 total cpu time spent up to now is 140.3 secs Computing kpt #: 100 total cpu time spent up to now is 141.6 secs Computing kpt #: 101 total cpu time spent up to now is 143.0 secs Computing kpt #: 102 total cpu time spent up to now is 144.4 secs Computing kpt #: 103 total cpu time spent up to now is 145.7 secs Computing kpt #: 104 total cpu time spent up to now is 147.1 secs Computing kpt #: 105 total cpu time spent up to now is 148.5 secs Computing kpt #: 106 total cpu time spent up to now is 149.8 secs Computing kpt #: 107 total cpu time spent up to now is 151.2 secs Computing kpt #: 108 total cpu time spent up to now is 152.6 secs Computing kpt #: 109 total cpu time spent up to now is 154.0 secs Computing kpt #: 110 total cpu time spent up to now is 155.4 secs Computing kpt #: 111 total cpu time spent up to now is 156.8 secs Computing kpt #: 112 total cpu time spent up to now is 158.2 secs Computing kpt #: 113 total cpu time spent up to now is 159.6 secs Computing kpt #: 114 total cpu time spent up to now is 161.0 secs Computing kpt #: 115 total cpu time spent up to now is 162.4 secs Computing kpt #: 116 total cpu time spent up to now is 163.7 secs Computing kpt #: 117 total cpu time spent up to now is 165.1 secs Computing kpt #: 118 total cpu time spent up to now is 166.5 secs Computing kpt #: 119 total cpu time spent up to now is 167.9 secs Computing kpt #: 120 total cpu time spent up to now is 169.3 secs Computing kpt #: 121 total cpu time spent up to now is 170.7 secs Computing kpt #: 122 total cpu time spent up to now is 172.1 secs Computing kpt #: 123 total cpu time spent up to now is 173.5 secs Computing kpt #: 124 total cpu time spent up to now is 174.9 secs Computing kpt #: 125 total cpu time spent up to now is 176.2 secs Computing kpt #: 126 total cpu time spent up to now is 177.6 secs Computing kpt #: 127 total cpu time spent up to now is 179.0 secs Computing kpt #: 128 total cpu time spent up to now is 180.4 secs Computing kpt #: 129 total cpu time spent up to now is 181.7 secs Computing kpt #: 130 total cpu time spent up to now is 183.1 secs Computing kpt #: 131 total cpu time spent up to now is 184.5 secs Computing kpt #: 132 total cpu time spent up to now is 185.8 secs Computing kpt #: 133 total cpu time spent up to now is 187.3 secs Computing kpt #: 134 total cpu time spent up to now is 188.7 secs Computing kpt #: 135 total cpu time spent up to now is 190.1 secs Computing kpt #: 136 total cpu time spent up to now is 191.5 secs Computing kpt #: 137 total cpu time spent up to now is 192.9 secs Computing kpt #: 138 total cpu time spent up to now is 194.3 secs Computing kpt #: 139 total cpu time spent up to now is 195.7 secs Computing kpt #: 140 total cpu time spent up to now is 197.0 secs Computing kpt #: 141 total cpu time spent up to now is 198.4 secs Computing kpt #: 142 total cpu time spent up to now is 199.8 secs Computing kpt #: 143 total cpu time spent up to now is 201.2 secs Computing kpt #: 144 total cpu time spent up to now is 202.6 secs Computing kpt #: 145 total cpu time spent up to now is 204.0 secs Computing kpt #: 146 total cpu time spent up to now is 205.4 secs Computing kpt #: 147 total cpu time spent up to now is 206.8 secs Computing kpt #: 148 total cpu time spent up to now is 208.2 secs Computing kpt #: 149 total cpu time spent up to now is 209.5 secs Computing kpt #: 150 total cpu time spent up to now is 210.9 secs Computing kpt #: 151 total cpu time spent up to now is 212.3 secs Computing kpt #: 152 total cpu time spent up to now is 213.7 secs Computing kpt #: 153 total cpu time spent up to now is 215.1 secs Computing kpt #: 154 total cpu time spent up to now is 216.5 secs Computing kpt #: 155 total cpu time spent up to now is 217.9 secs Computing kpt #: 156 total cpu time spent up to now is 219.3 secs Computing kpt #: 157 total cpu time spent up to now is 220.7 secs Computing kpt #: 158 total cpu time spent up to now is 222.1 secs Computing kpt #: 159 total cpu time spent up to now is 223.5 secs Computing kpt #: 160 total cpu time spent up to now is 224.9 secs Computing kpt #: 161 total cpu time spent up to now is 226.2 secs Computing kpt #: 162 total cpu time spent up to now is 227.6 secs Computing kpt #: 163 total cpu time spent up to now is 229.0 secs Computing kpt #: 164 total cpu time spent up to now is 230.4 secs Computing kpt #: 165 total cpu time spent up to now is 231.8 secs Computing kpt #: 166 total cpu time spent up to now is 233.2 secs Computing kpt #: 167 total cpu time spent up to now is 234.6 secs Computing kpt #: 168 total cpu time spent up to now is 236.0 secs Computing kpt #: 169 total cpu time spent up to now is 237.3 secs Computing kpt #: 170 total cpu time spent up to now is 238.7 secs Computing kpt #: 171 total cpu time spent up to now is 240.1 secs Computing kpt #: 172 total cpu time spent up to now is 241.5 secs Computing kpt #: 173 total cpu time spent up to now is 242.9 secs Computing kpt #: 174 total cpu time spent up to now is 244.2 secs Computing kpt #: 175 total cpu time spent up to now is 245.6 secs Computing kpt #: 176 total cpu time spent up to now is 247.0 secs Computing kpt #: 177 total cpu time spent up to now is 248.4 secs Computing kpt #: 178 total cpu time spent up to now is 249.7 secs Computing kpt #: 179 total cpu time spent up to now is 251.1 secs Computing kpt #: 180 total cpu time spent up to now is 253.0 secs Computing kpt #: 181 total cpu time spent up to now is 254.4 secs Computing kpt #: 182 total cpu time spent up to now is 255.8 secs Computing kpt #: 183 total cpu time spent up to now is 257.1 secs Computing kpt #: 184 total cpu time spent up to now is 258.5 secs Computing kpt #: 185 total cpu time spent up to now is 259.9 secs Computing kpt #: 186 total cpu time spent up to now is 261.2 secs Computing kpt #: 187 total cpu time spent up to now is 262.6 secs Computing kpt #: 188 total cpu time spent up to now is 264.0 secs Computing kpt #: 189 total cpu time spent up to now is 265.4 secs Computing kpt #: 190 total cpu time spent up to now is 266.8 secs Computing kpt #: 191 total cpu time spent up to now is 268.1 secs Computing kpt #: 192 total cpu time spent up to now is 269.4 secs Computing kpt #: 193 total cpu time spent up to now is 270.8 secs Computing kpt #: 194 total cpu time spent up to now is 272.1 secs Computing kpt #: 195 total cpu time spent up to now is 273.5 secs Computing kpt #: 196 total cpu time spent up to now is 274.8 secs Computing kpt #: 197 total cpu time spent up to now is 276.2 secs Computing kpt #: 198 total cpu time spent up to now is 277.6 secs Computing kpt #: 199 total cpu time spent up to now is 279.0 secs Computing kpt #: 200 total cpu time spent up to now is 280.4 secs Computing kpt #: 201 total cpu time spent up to now is 281.8 secs Computing kpt #: 202 total cpu time spent up to now is 283.2 secs Computing kpt #: 203 total cpu time spent up to now is 284.6 secs Computing kpt #: 204 total cpu time spent up to now is 286.0 secs Computing kpt #: 205 total cpu time spent up to now is 287.4 secs Computing kpt #: 206 total cpu time spent up to now is 288.8 secs Computing kpt #: 207 total cpu time spent up to now is 290.2 secs Computing kpt #: 208 total cpu time spent up to now is 291.7 secs Computing kpt #: 209 total cpu time spent up to now is 293.3 secs Computing kpt #: 210 total cpu time spent up to now is 294.7 secs Computing kpt #: 211 total cpu time spent up to now is 296.1 secs Computing kpt #: 212 total cpu time spent up to now is 297.5 secs Computing kpt #: 213 total cpu time spent up to now is 298.9 secs Computing kpt #: 214 total cpu time spent up to now is 300.3 secs Computing kpt #: 215 total cpu time spent up to now is 301.6 secs Computing kpt #: 216 total cpu time spent up to now is 303.0 secs Computing kpt #: 217 total cpu time spent up to now is 304.4 secs Computing kpt #: 218 total cpu time spent up to now is 305.7 secs Computing kpt #: 219 total cpu time spent up to now is 307.1 secs Computing kpt #: 220 total cpu time spent up to now is 308.5 secs Computing kpt #: 221 total cpu time spent up to now is 309.9 secs Computing kpt #: 222 total cpu time spent up to now is 311.2 secs Computing kpt #: 223 total cpu time spent up to now is 312.6 secs Computing kpt #: 224 total cpu time spent up to now is 314.0 secs Computing kpt #: 225 total cpu time spent up to now is 315.3 secs Computing kpt #: 226 total cpu time spent up to now is 316.7 secs Computing kpt #: 227 total cpu time spent up to now is 318.1 secs Computing kpt #: 228 total cpu time spent up to now is 319.5 secs Computing kpt #: 229 total cpu time spent up to now is 320.8 secs Computing kpt #: 230 total cpu time spent up to now is 322.2 secs Computing kpt #: 231 total cpu time spent up to now is 323.6 secs ethr = 1.56E-08, avg # of iterations = 17.3 total cpu time spent up to now is 323.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11227 PWs) bands (ev): -13.0835 -13.0835 -12.4861 -12.4861 -12.4398 -12.4398 -12.3850 -12.3850 -12.0397 -12.0397 -11.9121 -11.9121 -11.8750 -11.8750 -11.8628 -11.8628 -2.5953 -2.5953 -2.4199 -2.4199 -2.1405 -2.1405 -2.0060 -2.0060 -1.6185 -1.6185 -1.5522 -1.5522 -1.3986 -1.3986 -1.0798 -1.0798 -1.0752 -1.0752 -0.8758 -0.8758 -0.7928 -0.7928 -0.7703 -0.7703 -0.6336 -0.6336 -0.3549 -0.3549 -0.1262 -0.1262 -0.1210 -0.1210 0.0713 0.0713 0.1652 0.1652 0.3501 0.3501 0.4253 0.4253 0.5750 0.5750 0.6563 0.6563 0.8454 0.8454 0.8987 0.8987 4.4717 4.4717 4.4969 4.4969 4.6524 4.6524 4.8218 4.8218 4.8891 4.8891 5.0625 5.0625 k = 0.0000 0.0000 0.0228 ( 11227 PWs) bands (ev): -13.0832 -13.0832 -12.4861 -12.4861 -12.4399 -12.4399 -12.3853 -12.3853 -12.0396 -12.0396 -11.9121 -11.9121 -11.8752 -11.8752 -11.8627 -11.8627 -2.5949 -2.5949 -2.4187 -2.4187 -2.1399 -2.1399 -2.0059 -2.0059 -1.6200 -1.6200 -1.5523 -1.5523 -1.3993 -1.3993 -1.0806 -1.0806 -1.0752 -1.0752 -0.8753 -0.8753 -0.8040 -0.8040 -0.7597 -0.7597 -0.6321 -0.6321 -0.3538 -0.3538 -0.1257 -0.1257 -0.1198 -0.1198 0.0702 0.0702 0.1653 0.1653 0.3507 0.3507 0.4250 0.4250 0.5744 0.5744 0.6543 0.6543 0.8452 0.8452 0.8978 0.8978 4.4723 4.4723 4.4970 4.4970 4.6522 4.6522 4.8216 4.8216 4.8887 4.8887 5.0629 5.0629 k = 0.0000 0.0000 0.0457 ( 11227 PWs) bands (ev): -13.0823 -13.0823 -12.4862 -12.4862 -12.4399 -12.4399 -12.3862 -12.3862 -12.0393 -12.0393 -11.9121 -11.9121 -11.8757 -11.8757 -11.8625 -11.8625 -2.5940 -2.5940 -2.4150 -2.4150 -2.1381 -2.1381 -2.0056 -2.0056 -1.6245 -1.6245 -1.5527 -1.5527 -1.4013 -1.4013 -1.0828 -1.0828 -1.0755 -1.0755 -0.8738 -0.8738 -0.8226 -0.8226 -0.7429 -0.7429 -0.6277 -0.6277 -0.3506 -0.3506 -0.1243 -0.1243 -0.1159 -0.1159 0.0671 0.0671 0.1653 0.1653 0.3525 0.3525 0.4239 0.4239 0.5727 0.5727 0.6484 0.6484 0.8445 0.8445 0.8950 0.8950 4.4742 4.4742 4.4973 4.4973 4.6518 4.6518 4.8208 4.8208 4.8874 4.8874 5.0639 5.0639 k = 0.0000 0.0000 0.0685 ( 11234 PWs) bands (ev): -13.0808 -13.0808 -12.4863 -12.4863 -12.4401 -12.4401 -12.3877 -12.3877 -12.0388 -12.0388 -11.9122 -11.9122 -11.8767 -11.8767 -11.8621 -11.8621 -2.5924 -2.5924 -2.4088 -2.4088 -2.1350 -2.1350 -2.0052 -2.0052 -1.6313 -1.6313 -1.5536 -1.5536 -1.4046 -1.4046 -1.0858 -1.0858 -1.0764 -1.0764 -0.8719 -0.8719 -0.8424 -0.8424 -0.7257 -0.7257 -0.6204 -0.6204 -0.3452 -0.3452 -0.1221 -0.1221 -0.1096 -0.1096 0.0622 0.0622 0.1652 0.1652 0.3554 0.3554 0.4220 0.4220 0.5696 0.5696 0.6388 0.6388 0.8433 0.8433 0.8904 0.8904 4.4771 4.4771 4.4978 4.4978 4.6509 4.6509 4.8197 4.8197 4.8852 4.8852 5.0657 5.0657 k = 0.0000 0.0000 0.0914 ( 11206 PWs) bands (ev): -13.0787 -13.0787 -12.4865 -12.4865 -12.4402 -12.4402 -12.3897 -12.3897 -12.0382 -12.0382 -11.9123 -11.9123 -11.8780 -11.8780 -11.8616 -11.8616 -2.5902 -2.5902 -2.4003 -2.4003 -2.1306 -2.1306 -2.0046 -2.0046 -1.6401 -1.6401 -1.5553 -1.5553 -1.4089 -1.4089 -1.0896 -1.0896 -1.0782 -1.0782 -0.8724 -0.8724 -0.8601 -0.8601 -0.7086 -0.7086 -0.6102 -0.6102 -0.3380 -0.3380 -0.1191 -0.1191 -0.1009 -0.1009 0.0558 0.0558 0.1649 0.1649 0.3593 0.3593 0.4191 0.4191 0.5650 0.5650 0.6263 0.6263 0.8416 0.8416 0.8843 0.8843 4.4812 4.4812 4.4985 4.4985 4.6498 4.6498 4.8180 4.8180 4.8821 4.8821 5.0681 5.0681 k = 0.0000 0.0000 0.1142 ( 11205 PWs) bands (ev): -13.0761 -13.0761 -12.4867 -12.4867 -12.4404 -12.4404 -12.3923 -12.3923 -12.0374 -12.0374 -11.9124 -11.9124 -11.8797 -11.8797 -11.8609 -11.8609 -2.5874 -2.5874 -2.3896 -2.3896 -2.1250 -2.1250 -2.0039 -2.0039 -1.6502 -1.6502 -1.5581 -1.5581 -1.4143 -1.4143 -1.0940 -1.0940 -1.0809 -1.0809 -0.8883 -0.8883 -0.8627 -0.8627 -0.6916 -0.6916 -0.5973 -0.5973 -0.3289 -0.3289 -0.1154 -0.1154 -0.0902 -0.0902 0.0482 0.0482 0.1641 0.1641 0.3643 0.3643 0.4149 0.4149 0.5580 0.5580 0.6119 0.6119 0.8392 0.8392 0.8767 0.8767 4.4860 4.4860 4.4996 4.4996 4.6484 4.6484 4.8160 4.8160 4.8783 4.8783 5.0711 5.0711 k = 0.0000 0.0000 0.1371 ( 11194 PWs) bands (ev): -13.0729 -13.0729 -12.4869 -12.4869 -12.4407 -12.4407 -12.3954 -12.3954 -12.0364 -12.0364 -11.9126 -11.9126 -11.8817 -11.8817 -11.8602 -11.8602 -2.5841 -2.5841 -2.3767 -2.3767 -2.1181 -2.1181 -2.0032 -2.0032 -1.6612 -1.6612 -1.5618 -1.5618 -1.4206 -1.4206 -1.0989 -1.0989 -1.0845 -1.0845 -0.9098 -0.9098 -0.8602 -0.8602 -0.6746 -0.6746 -0.5817 -0.5817 -0.3184 -0.3184 -0.1109 -0.1109 -0.0778 -0.0778 0.0398 0.0398 0.1627 0.1627 0.3701 0.3701 0.4089 0.4089 0.5478 0.5478 0.5975 0.5975 0.8362 0.8362 0.8678 0.8678 4.4913 4.4913 4.5014 4.5014 4.6466 4.6466 4.8137 4.8137 4.8738 4.8738 5.0746 5.0746 k = 0.0000 0.0000 0.1599 ( 11193 PWs) bands (ev): -13.0692 -13.0692 -12.4871 -12.4871 -12.4410 -12.4410 -12.3991 -12.3991 -12.0352 -12.0352 -11.9127 -11.9127 -11.8841 -11.8841 -11.8593 -11.8593 -2.5803 -2.5803 -2.3620 -2.3620 -2.1097 -2.1097 -2.0026 -2.0026 -1.6726 -1.6726 -1.5665 -1.5665 -1.4276 -1.4276 -1.1044 -1.1044 -1.0891 -1.0891 -0.9321 -0.9321 -0.8576 -0.8576 -0.6576 -0.6576 -0.5636 -0.5636 -0.3066 -0.3066 -0.1058 -0.1058 -0.0641 -0.0641 0.0311 0.0311 0.1606 0.1606 0.3766 0.3766 0.4002 0.4002 0.5335 0.5335 0.5852 0.5852 0.8324 0.8324 0.8578 0.8578 4.4959 4.4959 4.5047 4.5047 4.6446 4.6446 4.8110 4.8110 4.8687 4.8687 5.0785 5.0785 k = 0.0000 0.0000 0.1828 ( 11199 PWs) bands (ev): -13.0651 -13.0651 -12.4874 -12.4874 -12.4413 -12.4413 -12.4032 -12.4032 -12.0339 -12.0339 -11.9129 -11.9129 -11.8867 -11.8867 -11.8584 -11.8584 -2.5761 -2.5761 -2.3456 -2.3456 -2.1001 -2.1001 -2.0020 -2.0020 -1.6839 -1.6839 -1.5721 -1.5721 -1.4351 -1.4351 -1.1104 -1.1104 -1.0944 -1.0944 -0.9545 -0.9545 -0.8558 -0.8558 -0.6404 -0.6404 -0.5431 -0.5431 -0.2938 -0.2938 -0.1001 -0.1001 -0.0496 -0.0496 0.0225 0.0225 0.1578 0.1578 0.3832 0.3832 0.3879 0.3879 0.5163 0.5163 0.5755 0.5755 0.8276 0.8276 0.8470 0.8470 4.4989 4.4989 4.5104 4.5104 4.6423 4.6423 4.8081 4.8081 4.8631 4.8631 5.0827 5.0827 k = 0.0000 0.0000 0.2056 ( 11202 PWs) bands (ev): -13.0605 -13.0605 -12.4878 -12.4878 -12.4416 -12.4416 -12.4078 -12.4078 -12.0324 -12.0324 -11.9132 -11.9132 -11.8896 -11.8896 -11.8574 -11.8574 -2.5715 -2.5715 -2.3277 -2.3277 -2.0889 -2.0889 -2.0016 -2.0016 -1.6948 -1.6948 -1.5782 -1.5782 -1.4430 -1.4430 -1.1171 -1.1171 -1.1004 -1.1004 -0.9768 -0.9768 -0.8549 -0.8549 -0.6231 -0.6231 -0.5203 -0.5203 -0.2802 -0.2802 -0.0938 -0.0938 -0.0346 -0.0346 0.0143 0.0143 0.1542 0.1542 0.3684 0.3684 0.3919 0.3919 0.4994 0.4994 0.5677 0.5677 0.8218 0.8218 0.8357 0.8357 4.5010 4.5010 4.5176 4.5176 4.6397 4.6397 4.8051 4.8051 4.8571 4.8571 5.0872 5.0872 k = 0.0000 0.0000 0.2285 ( 11207 PWs) bands (ev): -13.0555 -13.0555 -12.4881 -12.4881 -12.4420 -12.4420 -12.4128 -12.4128 -12.0307 -12.0307 -11.9134 -11.9134 -11.8926 -11.8926 -11.8563 -11.8563 -2.5666 -2.5666 -2.3088 -2.3088 -2.0764 -2.0764 -2.0015 -2.0015 -1.7048 -1.7048 -1.5849 -1.5849 -1.4511 -1.4511 -1.1245 -1.1245 -1.1069 -1.1069 -0.9987 -0.9987 -0.8555 -0.8555 -0.6057 -0.6057 -0.4956 -0.4956 -0.2663 -0.2663 -0.0872 -0.0872 -0.0200 -0.0200 0.0073 0.0073 0.1499 0.1499 0.3429 0.3429 0.4000 0.4000 0.4850 0.4850 0.5611 0.5611 0.8143 0.8143 0.8243 0.8243 4.5028 4.5028 4.5255 4.5255 4.6368 4.6368 4.8019 4.8019 4.8510 4.8510 5.0918 5.0918 k = 0.0000 0.0000 0.2513 ( 11211 PWs) bands (ev): -13.0501 -13.0501 -12.4885 -12.4885 -12.4424 -12.4424 -12.4182 -12.4182 -12.0289 -12.0289 -11.9138 -11.9138 -11.8958 -11.8958 -11.8552 -11.8552 -2.5614 -2.5614 -2.2892 -2.2892 -2.0627 -2.0627 -2.0014 -2.0014 -1.7137 -1.7137 -1.5918 -1.5918 -1.4593 -1.4593 -1.1328 -1.1328 -1.1135 -1.1135 -1.0199 -1.0199 -0.8576 -0.8576 -0.5883 -0.5883 -0.4690 -0.4690 -0.2523 -0.2523 -0.0802 -0.0802 -0.0088 -0.0088 0.0041 0.0041 0.1448 0.1448 0.3111 0.3111 0.4083 0.4083 0.4743 0.4743 0.5551 0.5551 0.8046 0.8046 0.8138 0.8138 4.5046 4.5046 4.5335 4.5335 4.6337 4.6337 4.7986 4.7986 4.8450 4.8450 5.0965 5.0965 k = 0.0000 0.0000 0.2742 ( 11211 PWs) bands (ev): -13.0444 -13.0444 -12.4889 -12.4889 -12.4427 -12.4427 -12.4239 -12.4239 -12.0269 -12.0269 -11.9142 -11.9142 -11.8991 -11.8991 -11.8541 -11.8541 -2.5561 -2.5561 -2.2692 -2.2692 -2.0485 -2.0485 -2.0007 -2.0007 -1.7210 -1.7210 -1.5988 -1.5988 -1.4675 -1.4675 -1.1422 -1.1422 -1.1200 -1.1200 -1.0402 -1.0402 -0.8615 -0.8615 -0.5709 -0.5709 -0.4410 -0.4410 -0.2385 -0.2385 -0.0731 -0.0731 -0.0086 -0.0086 0.0122 0.0122 0.1391 0.1391 0.2745 0.2745 0.4167 0.4167 0.4666 0.4666 0.5495 0.5495 0.7925 0.7925 0.8043 0.8043 4.5065 4.5065 4.5413 4.5413 4.6304 4.6304 4.7952 4.7952 4.8392 4.8392 5.1012 5.1012 k = 0.0000 0.0000 0.2970 ( 11218 PWs) bands (ev): -13.0385 -13.0385 -12.4893 -12.4893 -12.4431 -12.4431 -12.4298 -12.4298 -12.0248 -12.0248 -11.9149 -11.9149 -11.9024 -11.9024 -11.8530 -11.8530 -2.5506 -2.5506 -2.2493 -2.2493 -2.0359 -2.0359 -1.9973 -1.9973 -1.7265 -1.7265 -1.6058 -1.6058 -1.4756 -1.4756 -1.1526 -1.1526 -1.1263 -1.1263 -1.0593 -1.0593 -0.8672 -0.8672 -0.5537 -0.5537 -0.4117 -0.4117 -0.2250 -0.2250 -0.0661 -0.0661 -0.0119 -0.0119 0.0229 0.0229 0.1327 0.1327 0.2356 0.2356 0.4249 0.4249 0.4613 0.4613 0.5443 0.5443 0.7793 0.7793 0.7948 0.7948 4.5086 4.5086 4.5487 4.5487 4.6270 4.6270 4.7916 4.7916 4.8340 4.8340 5.1059 5.1059 k = 0.0000 0.0000 0.3199 ( 11234 PWs) bands (ev): -13.0324 -13.0324 -12.4897 -12.4897 -12.4435 -12.4435 -12.4359 -12.4359 -12.0226 -12.0226 -11.9160 -11.9160 -11.9053 -11.9053 -11.8518 -11.8518 -2.5452 -2.5452 -2.2299 -2.2299 -2.0293 -2.0293 -1.9870 -1.9870 -1.7300 -1.7300 -1.6125 -1.6125 -1.4835 -1.4835 -1.1641 -1.1641 -1.1323 -1.1323 -1.0768 -1.0768 -0.8748 -0.8748 -0.5368 -0.5368 -0.3815 -0.3815 -0.2120 -0.2120 -0.0595 -0.0595 -0.0146 -0.0146 0.0305 0.0305 0.1257 0.1257 0.1976 0.1976 0.4329 0.4329 0.4577 0.4577 0.5395 0.5395 0.7657 0.7657 0.7848 0.7848 4.5107 4.5107 4.5554 4.5554 4.6234 4.6234 4.7878 4.7878 4.8298 4.8298 5.1103 5.1103 k = 0.0000 0.0000 0.3427 ( 11228 PWs) bands (ev): -13.0263 -13.0263 -12.4901 -12.4901 -12.4441 -12.4441 -12.4419 -12.4419 -12.0202 -12.0202 -11.9177 -11.9177 -11.9077 -11.9077 -11.8507 -11.8507 -2.5397 -2.5397 -2.2112 -2.2112 -2.0292 -2.0292 -1.9691 -1.9691 -1.7315 -1.7315 -1.6190 -1.6190 -1.4912 -1.4912 -1.1766 -1.1766 -1.1379 -1.1379 -1.0924 -1.0924 -0.8841 -0.8841 -0.5202 -0.5202 -0.3507 -0.3507 -0.1997 -0.1997 -0.0543 -0.0543 -0.0167 -0.0167 0.0317 0.0317 0.1182 0.1182 0.1654 0.1654 0.4404 0.4404 0.4554 0.4554 0.5351 0.5351 0.7519 0.7519 0.7742 0.7742 4.5131 4.5131 4.5612 4.5612 4.6197 4.6197 4.7837 4.7837 4.8267 4.8267 5.1146 5.1146 k = 0.0000 0.0000 0.3656 ( 11227 PWs) bands (ev): -13.0201 -13.0201 -12.4905 -12.4905 -12.4485 -12.4485 -12.4441 -12.4441 -12.0177 -12.0177 -11.9203 -11.9203 -11.9093 -11.9093 -11.8497 -11.8497 -2.5343 -2.5343 -2.1936 -2.1936 -2.0328 -2.0328 -1.9468 -1.9468 -1.7310 -1.7310 -1.6251 -1.6251 -1.4986 -1.4986 -1.1899 -1.1899 -1.1431 -1.1431 -1.1058 -1.1058 -0.8951 -0.8951 -0.5042 -0.5042 -0.3196 -0.3196 -0.1880 -0.1880 -0.0527 -0.0527 -0.0193 -0.0193 0.0245 0.0245 0.1105 0.1105 0.1447 0.1447 0.4469 0.4469 0.4545 0.4545 0.5312 0.5312 0.7383 0.7383 0.7631 0.7631 4.5156 4.5156 4.5660 4.5660 4.6160 4.6160 4.7792 4.7792 4.8249 4.8249 5.1187 5.1187 k = 0.0000 0.0000 0.3884 ( 11233 PWs) bands (ev): -13.0140 -13.0140 -12.4909 -12.4909 -12.4546 -12.4546 -12.4445 -12.4445 -12.0151 -12.0151 -11.9234 -11.9234 -11.9102 -11.9102 -11.8486 -11.8486 -2.5291 -2.5291 -2.1772 -2.1772 -2.0381 -2.0381 -1.9221 -1.9221 -1.7287 -1.7287 -1.6308 -1.6308 -1.5057 -1.5057 -1.2039 -1.2039 -1.1478 -1.1478 -1.1170 -1.1170 -0.9074 -0.9074 -0.4889 -0.4889 -0.2886 -0.2886 -0.1769 -0.1769 -0.0619 -0.0619 -0.0224 -0.0224 0.0150 0.0150 0.1028 0.1028 0.1365 0.1365 0.4504 0.4504 0.4567 0.4567 0.5277 0.5277 0.7250 0.7250 0.7517 0.7517 4.5183 4.5183 4.5696 4.5696 4.6124 4.6124 4.7744 4.7744 4.8245 4.8245 5.1225 5.1225 k = 0.0000 0.0000 0.4113 ( 11235 PWs) bands (ev): -13.0080 -13.0080 -12.4913 -12.4913 -12.4606 -12.4606 -12.4448 -12.4448 -12.0125 -12.0125 -11.9270 -11.9270 -11.9108 -11.9108 -11.8477 -11.8477 -2.5242 -2.5242 -2.1621 -2.1621 -2.0444 -2.0444 -1.8959 -1.8959 -1.7247 -1.7247 -1.6360 -1.6360 -1.5124 -1.5124 -1.2182 -1.2182 -1.1519 -1.1519 -1.1260 -1.1260 -0.9207 -0.9207 -0.4744 -0.4744 -0.2580 -0.2580 -0.1664 -0.1664 -0.0883 -0.0883 -0.0230 -0.0230 0.0118 0.0118 0.0952 0.0952 0.1363 0.1363 0.4508 0.4508 0.4615 0.4615 0.5249 0.5249 0.7122 0.7122 0.7400 0.7400 4.5212 4.5212 4.5719 4.5719 4.6089 4.6089 4.7695 4.7695 4.8252 4.8252 5.1260 5.1260 k = 0.0000 0.0000 0.4341 ( 11230 PWs) bands (ev): -13.0023 -13.0023 -12.4917 -12.4917 -12.4664 -12.4664 -12.4451 -12.4451 -12.0098 -12.0098 -11.9307 -11.9307 -11.9112 -11.9112 -11.8468 -11.8468 -2.5195 -2.5195 -2.1485 -2.1485 -2.0511 -2.0511 -1.8693 -1.8693 -1.7195 -1.7195 -1.6408 -1.6408 -1.5188 -1.5188 -1.2324 -1.2324 -1.1553 -1.1553 -1.1328 -1.1328 -0.9347 -0.9347 -0.4609 -0.4609 -0.2284 -0.2284 -0.1575 -0.1575 -0.1239 -0.1239 -0.0218 -0.0218 0.0136 0.0136 0.0876 0.0876 0.1396 0.1396 0.4508 0.4508 0.4664 0.4664 0.5227 0.5227 0.7002 0.7002 0.7283 0.7283 4.5243 4.5243 4.5731 4.5731 4.6057 4.6057 4.7647 4.7647 4.8269 4.8269 5.1292 5.1292 k = 0.0000 0.0000 0.4570 ( 11234 PWs) bands (ev): -12.9970 -12.9970 -12.4921 -12.4921 -12.4718 -12.4718 -12.4454 -12.4454 -12.0070 -12.0070 -11.9344 -11.9344 -11.9114 -11.9114 -11.8460 -11.8460 -2.5151 -2.5151 -2.1365 -2.1365 -2.0577 -2.0577 -1.8428 -1.8428 -1.7133 -1.7133 -1.6452 -1.6452 -1.5248 -1.5248 -1.2462 -1.2462 -1.1580 -1.1580 -1.1378 -1.1378 -0.9490 -0.9490 -0.4486 -0.4486 -0.2007 -0.2007 -0.1700 -0.1700 -0.1408 -0.1408 -0.0207 -0.0207 0.0176 0.0176 0.0801 0.0801 0.1439 0.1439 0.4508 0.4508 0.4706 0.4706 0.5211 0.5211 0.6891 0.6891 0.7170 0.7170 4.5275 4.5275 4.5731 4.5731 4.6027 4.6027 4.7601 4.7601 4.8292 4.8292 5.1321 5.1321 k = 0.0000 0.0000 0.4798 ( 11240 PWs) bands (ev): -12.9921 -12.9921 -12.4924 -12.4924 -12.4767 -12.4767 -12.4456 -12.4456 -12.0044 -12.0044 -11.9381 -11.9381 -11.9116 -11.9116 -11.8452 -11.8452 -2.5112 -2.5112 -2.1261 -2.1261 -2.0640 -2.0640 -1.8175 -1.8175 -1.7065 -1.7065 -1.6492 -1.6492 -1.5303 -1.5303 -1.2591 -1.2591 -1.1597 -1.1597 -1.1412 -1.1412 -0.9630 -0.9630 -0.4376 -0.4376 -0.2092 -0.2092 -0.1734 -0.1734 -0.1321 -0.1321 -0.0202 -0.0202 0.0222 0.0222 0.0727 0.0727 0.1482 0.1482 0.4507 0.4507 0.4742 0.4742 0.5201 0.5201 0.6791 0.6791 0.7062 0.7062 4.5308 4.5308 4.5720 4.5720 4.6002 4.6002 4.7558 4.7558 4.8319 4.8319 5.1346 5.1346 k = 0.0000 0.0000 0.5026 ( 11233 PWs) bands (ev): -12.9877 -12.9877 -12.4927 -12.4927 -12.4811 -12.4811 -12.4458 -12.4458 -12.0018 -12.0018 -11.9415 -11.9415 -11.9117 -11.9117 -11.8446 -11.8446 -2.5077 -2.5077 -2.1174 -2.1174 -2.0695 -2.0695 -1.7939 -1.7939 -1.6996 -1.6996 -1.6529 -1.6529 -1.5354 -1.5354 -1.2709 -1.2709 -1.1607 -1.1607 -1.1432 -1.1432 -0.9763 -0.9763 -0.4280 -0.4280 -0.2455 -0.2455 -0.1511 -0.1511 -0.1210 -0.1210 -0.0201 -0.0201 0.0266 0.0266 0.0657 0.0657 0.1519 0.1519 0.4505 0.4505 0.4772 0.4772 0.5195 0.5195 0.6704 0.6704 0.6963 0.6963 4.5343 4.5343 4.5702 4.5702 4.5980 4.5980 4.7521 4.7521 4.8347 4.8347 5.1367 5.1367 k = 0.0000 0.0000 0.5255 ( 11228 PWs) bands (ev): -12.9840 -12.9840 -12.4930 -12.4930 -12.4847 -12.4847 -12.4460 -12.4460 -11.9994 -11.9994 -11.9446 -11.9446 -11.9118 -11.9118 -11.8441 -11.8441 -2.5048 -2.5048 -2.1107 -2.1107 -2.0739 -2.0739 -1.7731 -1.7731 -1.6927 -1.6927 -1.6563 -1.6563 -1.5399 -1.5399 -1.2812 -1.2812 -1.1610 -1.1610 -1.1441 -1.1441 -0.9882 -0.9882 -0.4200 -0.4200 -0.2781 -0.2781 -0.1330 -0.1330 -0.1089 -0.1089 -0.0199 -0.0199 0.0298 0.0298 0.0592 0.0592 0.1549 0.1549 0.4503 0.4503 0.4795 0.4795 0.5192 0.5192 0.6631 0.6631 0.6876 0.6876 4.5379 4.5379 4.5676 4.5676 4.5962 4.5962 4.7489 4.7489 4.8374 4.8374 5.1385 5.1385 k = 0.0000 0.0000 0.5483 ( 11206 PWs) bands (ev): -12.9811 -12.9811 -12.4933 -12.4933 -12.4876 -12.4876 -12.4461 -12.4461 -11.9973 -11.9973 -11.9473 -11.9473 -11.9118 -11.9118 -11.8437 -11.8437 -2.5025 -2.5025 -2.1060 -2.1060 -2.0769 -2.0769 -1.7557 -1.7557 -1.6864 -1.6864 -1.6595 -1.6595 -1.5437 -1.5437 -1.2897 -1.2897 -1.1608 -1.1608 -1.1442 -1.1442 -0.9982 -0.9982 -0.4137 -0.4137 -0.3051 -0.3051 -0.1194 -0.1194 -0.0976 -0.0976 -0.0183 -0.0183 0.0306 0.0306 0.0540 0.0540 0.1572 0.1572 0.4500 0.4500 0.4814 0.4814 0.5191 0.5191 0.6573 0.6573 0.6805 0.6805 4.5416 4.5416 4.5646 4.5646 4.5948 4.5948 4.7464 4.7464 4.8396 4.8396 5.1399 5.1399 k = 0.0000 0.0000 0.5712 ( 11202 PWs) bands (ev): -12.9789 -12.9789 -12.4936 -12.4936 -12.4896 -12.4896 -12.4462 -12.4462 -11.9956 -11.9956 -11.9494 -11.9494 -11.9119 -11.9119 -11.8434 -11.8434 -2.5008 -2.5008 -2.1033 -2.1033 -2.0785 -2.0785 -1.7426 -1.7426 -1.6807 -1.6807 -1.6627 -1.6627 -1.5466 -1.5466 -1.2960 -1.2960 -1.1605 -1.1605 -1.1439 -1.1439 -1.0059 -1.0059 -0.4091 -0.4091 -0.3253 -0.3253 -0.1091 -0.1091 -0.0899 -0.0899 -0.0143 -0.0143 0.0277 0.0277 0.0513 0.0513 0.1587 0.1587 0.4497 0.4497 0.4828 0.4828 0.5191 0.5191 0.6531 0.6531 0.6751 0.6751 4.5453 4.5453 4.5614 4.5614 4.5938 4.5938 4.7445 4.7445 4.8414 4.8414 5.1409 5.1409 k = 0.0000 0.0000 0.5940 ( 11196 PWs) bands (ev): -12.9776 -12.9776 -12.4940 -12.4940 -12.4907 -12.4907 -12.4462 -12.4462 -11.9945 -11.9945 -11.9508 -11.9508 -11.9119 -11.9119 -11.8432 -11.8432 -2.4997 -2.4997 -2.1021 -2.1021 -2.0790 -2.0790 -1.7343 -1.7343 -1.6760 -1.6760 -1.6658 -1.6658 -1.5485 -1.5485 -1.2999 -1.2999 -1.1601 -1.1601 -1.1436 -1.1436 -1.0107 -1.0107 -0.4064 -0.4064 -0.3378 -0.3378 -0.1018 -0.1018 -0.0869 -0.0869 -0.0083 -0.0083 0.0222 0.0222 0.0507 0.0507 0.1596 0.1596 0.4495 0.4495 0.4836 0.4836 0.5191 0.5191 0.6506 0.6506 0.6718 0.6718 4.5487 4.5487 4.5582 4.5582 4.5931 4.5931 4.7434 4.7434 4.8425 4.8425 5.1415 5.1415 k = 0.0000 0.0000 0.6169 ( 11196 PWs) bands (ev): -12.9771 -12.9771 -12.4941 -12.4941 -12.4910 -12.4910 -12.4462 -12.4462 -11.9941 -11.9941 -11.9512 -11.9512 -11.9119 -11.9119 -11.8431 -11.8431 -2.4994 -2.4994 -2.1018 -2.1018 -2.0791 -2.0791 -1.7316 -1.7316 -1.6735 -1.6735 -1.6677 -1.6677 -1.5491 -1.5491 -1.3012 -1.3012 -1.1600 -1.1600 -1.1434 -1.1434 -1.0123 -1.0123 -0.4055 -0.4055 -0.3421 -0.3421 -0.0988 -0.0988 -0.0867 -0.0867 -0.0048 -0.0048 0.0189 0.0189 0.0506 0.0506 0.1599 0.1599 0.4494 0.4494 0.4839 0.4839 0.5191 0.5191 0.6498 0.6498 0.6707 0.6707 4.5507 4.5507 4.5563 4.5563 4.5929 4.5929 4.7430 4.7430 4.8429 4.8429 5.1417 5.1417 k = 0.0000 0.0000 0.6169 ( 11196 PWs) bands (ev): -12.9771 -12.9771 -12.4941 -12.4941 -12.4910 -12.4910 -12.4462 -12.4462 -11.9941 -11.9941 -11.9512 -11.9512 -11.9119 -11.9119 -11.8431 -11.8431 -2.4994 -2.4994 -2.1018 -2.1018 -2.0791 -2.0791 -1.7316 -1.7316 -1.6735 -1.6735 -1.6677 -1.6677 -1.5491 -1.5491 -1.3012 -1.3012 -1.1600 -1.1600 -1.1434 -1.1434 -1.0123 -1.0123 -0.4055 -0.4055 -0.3421 -0.3421 -0.0988 -0.0988 -0.0867 -0.0867 -0.0048 -0.0048 0.0189 0.0189 0.0506 0.0506 0.1599 0.1599 0.4494 0.4494 0.4839 0.4839 0.5191 0.5191 0.6498 0.6498 0.6707 0.6707 4.5507 4.5507 4.5563 4.5563 4.5929 4.5929 4.7430 4.7430 4.8429 4.8429 5.1417 5.1417 k = 0.0000 0.0224 0.6169 ( 11186 PWs) bands (ev): -12.9766 -12.9766 -12.4941 -12.4941 -12.4911 -12.4911 -12.4467 -12.4467 -11.9940 -11.9940 -11.9512 -11.9512 -11.9121 -11.9121 -11.8430 -11.8430 -2.4984 -2.4984 -2.1017 -2.1017 -2.0790 -2.0790 -1.7342 -1.7342 -1.6930 -1.6930 -1.6488 -1.6488 -1.5494 -1.5494 -1.3064 -1.3064 -1.1609 -1.1609 -1.1345 -1.1345 -1.0097 -1.0097 -0.4067 -0.4067 -0.3413 -0.3413 -0.1088 -0.1088 -0.0818 -0.0818 -0.0047 -0.0047 0.0222 0.0222 0.0521 0.0521 0.1588 0.1588 0.4469 0.4469 0.4818 0.4818 0.5225 0.5225 0.6499 0.6499 0.6709 0.6709 4.5504 4.5504 4.5566 4.5566 4.5928 4.5928 4.7434 4.7434 4.8427 4.8427 5.1412 5.1412 k = 0.0000 0.0449 0.6169 ( 11189 PWs) bands (ev): -12.9752 -12.9752 -12.4942 -12.4942 -12.4911 -12.4911 -12.4481 -12.4481 -11.9937 -11.9937 -11.9510 -11.9510 -11.9130 -11.9130 -11.8427 -11.8427 -2.4954 -2.4954 -2.1015 -2.1015 -2.0788 -2.0788 -1.7422 -1.7422 -1.7151 -1.7151 -1.6285 -1.6285 -1.5503 -1.5503 -1.3188 -1.3188 -1.1624 -1.1624 -1.1118 -1.1118 -1.0022 -1.0022 -0.4101 -0.4101 -0.3391 -0.3391 -0.1260 -0.1260 -0.0796 -0.0796 -0.0026 -0.0026 0.0293 0.0293 0.0572 0.0572 0.1555 0.1555 0.4394 0.4394 0.4782 0.4782 0.5300 0.5300 0.6503 0.6503 0.6714 0.6714 4.5496 4.5496 4.5576 4.5576 4.5926 4.5926 4.7444 4.7444 4.8423 4.8423 5.1398 5.1398 k = 0.0000 0.0673 0.6169 ( 11195 PWs) bands (ev): -12.9729 -12.9729 -12.4944 -12.4944 -12.4913 -12.4913 -12.4504 -12.4504 -11.9932 -11.9932 -11.9508 -11.9508 -11.9143 -11.9143 -11.8421 -11.8421 -2.4906 -2.4906 -2.1011 -2.1011 -2.0783 -2.0783 -1.7558 -1.7558 -1.7368 -1.7368 -1.6101 -1.6101 -1.5511 -1.5511 -1.3332 -1.3332 -1.1634 -1.1634 -1.0812 -1.0812 -0.9908 -0.9908 -0.4151 -0.4151 -0.3360 -0.3360 -0.1454 -0.1454 -0.0831 -0.0831 0.0024 0.0024 0.0359 0.0359 0.0670 0.0670 0.1497 0.1497 0.4276 0.4276 0.4757 0.4757 0.5383 0.5383 0.6510 0.6510 0.6723 0.6723 4.5482 4.5482 4.5590 4.5590 4.5923 4.5923 4.7462 4.7462 4.8416 4.8416 5.1374 5.1374 k = 0.0000 0.0897 0.6169 ( 11190 PWs) bands (ev): -12.9696 -12.9696 -12.4947 -12.4947 -12.4915 -12.4915 -12.4535 -12.4535 -11.9925 -11.9925 -11.9505 -11.9505 -11.9160 -11.9160 -11.8415 -11.8415 -2.4841 -2.4841 -2.1004 -2.1004 -2.0775 -2.0775 -1.7744 -1.7744 -1.7581 -1.7581 -1.5942 -1.5942 -1.5514 -1.5514 -1.3465 -1.3465 -1.1631 -1.1631 -1.0465 -1.0465 -0.9765 -0.9765 -0.4212 -0.4212 -0.3323 -0.3323 -0.1655 -0.1655 -0.0902 -0.0902 0.0089 0.0089 0.0408 0.0408 0.0808 0.0808 0.1414 0.1414 0.4135 0.4135 0.4744 0.4744 0.5460 0.5460 0.6523 0.6523 0.6737 0.6737 4.5462 4.5462 4.5607 4.5607 4.5920 4.5920 4.7487 4.7487 4.8406 4.8406 5.1342 5.1342 k = 0.0000 0.1121 0.6169 ( 11191 PWs) bands (ev): -12.9655 -12.9655 -12.4953 -12.4953 -12.4917 -12.4917 -12.4573 -12.4573 -11.9917 -11.9917 -11.9501 -11.9501 -11.9182 -11.9182 -11.8407 -11.8407 -2.4762 -2.4762 -2.0995 -2.0995 -2.0761 -2.0761 -1.7971 -1.7971 -1.7793 -1.7793 -1.5814 -1.5814 -1.5505 -1.5505 -1.3573 -1.3573 -1.1606 -1.1606 -1.0103 -1.0103 -0.9603 -0.9603 -0.4277 -0.4277 -0.3284 -0.3284 -0.1857 -0.1857 -0.0990 -0.0990 0.0151 0.0151 0.0447 0.0447 0.0956 0.0956 0.1317 0.1317 0.3987 0.3987 0.4736 0.4736 0.5524 0.5524 0.6542 0.6542 0.6756 0.6756 4.5437 4.5437 4.5623 4.5623 4.5920 4.5920 4.7520 4.7520 4.8393 4.8393 5.1300 5.1300 k = 0.0000 0.1346 0.6169 ( 11192 PWs) bands (ev): -12.9604 -12.9604 -12.4963 -12.4963 -12.4921 -12.4921 -12.4616 -12.4616 -11.9906 -11.9906 -11.9496 -11.9496 -11.9207 -11.9207 -11.8399 -11.8399 -2.4672 -2.4672 -2.0983 -2.0983 -2.0739 -2.0739 -1.8235 -1.8235 -1.7997 -1.7997 -1.5718 -1.5718 -1.5481 -1.5481 -1.3653 -1.3653 -1.1555 -1.1555 -0.9746 -0.9746 -0.9426 -0.9426 -0.4340 -0.4340 -0.3245 -0.3245 -0.2052 -0.2052 -0.1082 -0.1082 0.0202 0.0202 0.0475 0.0475 0.1012 0.1012 0.1294 0.1294 0.3843 0.3843 0.4729 0.4729 0.5575 0.5575 0.6569 0.6569 0.6782 0.6782 4.5406 4.5406 4.5632 4.5632 4.5927 4.5927 4.7560 4.7560 4.8379 4.8379 5.1249 5.1249 k = 0.0000 0.1570 0.6169 ( 11199 PWs) bands (ev): -12.9544 -12.9544 -12.4982 -12.4982 -12.4924 -12.4924 -12.4660 -12.4660 -11.9894 -11.9894 -11.9489 -11.9489 -11.9234 -11.9234 -11.8390 -11.8390 -2.4575 -2.4575 -2.0969 -2.0969 -2.0705 -2.0705 -1.8533 -1.8533 -1.8187 -1.8187 -1.5647 -1.5647 -1.5449 -1.5449 -1.3707 -1.3707 -1.1479 -1.1479 -0.9418 -0.9418 -0.9232 -0.9232 -0.4394 -0.4394 -0.3208 -0.3208 -0.2234 -0.2234 -0.1172 -0.1172 0.0228 0.0228 0.0478 0.0478 0.0908 0.0908 0.1429 0.1429 0.3712 0.3712 0.4722 0.4722 0.5611 0.5611 0.6605 0.6605 0.6815 0.6815 4.5371 4.5371 4.5627 4.5627 4.5945 4.5945 4.7608 4.7608 4.8363 4.8363 5.1189 5.1189 k = 0.0000 0.1794 0.6169 ( 11200 PWs) bands (ev): -12.9475 -12.9475 -12.5014 -12.5014 -12.4928 -12.4928 -12.4699 -12.4699 -11.9880 -11.9880 -11.9483 -11.9483 -11.9263 -11.9263 -11.8383 -11.8383 -2.4476 -2.4476 -2.0953 -2.0953 -2.0656 -2.0656 -1.8857 -1.8857 -1.8358 -1.8358 -1.5590 -1.5590 -1.5415 -1.5415 -1.3739 -1.3739 -1.1382 -1.1382 -0.9167 -0.9167 -0.8995 -0.8995 -0.4432 -0.4432 -0.3174 -0.3174 -0.2397 -0.2397 -0.1254 -0.1254 0.0185 0.0185 0.0433 0.0433 0.0820 0.0820 0.1606 0.1606 0.3599 0.3599 0.4711 0.4711 0.5633 0.5633 0.6648 0.6648 0.6856 0.6856 4.5330 4.5330 4.5606 4.5606 4.5976 4.5976 4.7662 4.7662 4.8347 4.8347 5.1120 5.1120 k = 0.0000 0.2019 0.6169 ( 11201 PWs) bands (ev): -12.9398 -12.9398 -12.5065 -12.5065 -12.4931 -12.4931 -12.4730 -12.4730 -11.9865 -11.9865 -11.9475 -11.9475 -11.9294 -11.9294 -11.8376 -11.8376 -2.4378 -2.4378 -2.0938 -2.0938 -2.0589 -2.0589 -1.9197 -1.9197 -1.8508 -1.8508 -1.5539 -1.5539 -1.5386 -1.5386 -1.3754 -1.3754 -1.1268 -1.1268 -0.8986 -0.8986 -0.8736 -0.8736 -0.4446 -0.4446 -0.3145 -0.3145 -0.2533 -0.2533 -0.1325 -0.1325 -0.0017 -0.0017 0.0399 0.0399 0.0815 0.0815 0.1788 0.1788 0.3506 0.3506 0.4696 0.4696 0.5643 0.5643 0.6698 0.6698 0.6906 0.6906 4.5285 4.5285 4.5569 4.5569 4.6019 4.6019 4.7721 4.7721 4.8333 4.8333 5.1044 5.1044 k = 0.0000 0.2243 0.6169 ( 11208 PWs) bands (ev): -12.9313 -12.9313 -12.5136 -12.5136 -12.4934 -12.4934 -12.4750 -12.4750 -11.9848 -11.9848 -11.9466 -11.9466 -11.9326 -11.9326 -11.8370 -11.8370 -2.4286 -2.4286 -2.0924 -2.0924 -2.0507 -2.0507 -1.9542 -1.9542 -1.8631 -1.8631 -1.5493 -1.5493 -1.5356 -1.5356 -1.3754 -1.3754 -1.1149 -1.1149 -0.8839 -0.8839 -0.8511 -0.8511 -0.4429 -0.4429 -0.3124 -0.3124 -0.2633 -0.2633 -0.1382 -0.1382 -0.0346 -0.0346 0.0393 0.0393 0.0855 0.0855 0.1965 0.1965 0.3431 0.3431 0.4677 0.4677 0.5641 0.5641 0.6753 0.6753 0.6965 0.6965 4.5236 4.5236 4.5519 4.5519 4.6069 4.6069 4.7781 4.7781 4.8322 4.8322 5.0959 5.0959 k = 0.0000 0.2467 0.6169 ( 11210 PWs) bands (ev): -12.9220 -12.9220 -12.5225 -12.5225 -12.4937 -12.4937 -12.4760 -12.4760 -11.9830 -11.9830 -11.9456 -11.9456 -11.9358 -11.9358 -11.8366 -11.8366 -2.4204 -2.4204 -2.0912 -2.0912 -2.0426 -2.0426 -1.9877 -1.9877 -1.8717 -1.8717 -1.5460 -1.5460 -1.5315 -1.5315 -1.3742 -1.3742 -1.1032 -1.1032 -0.8714 -0.8714 -0.8342 -0.8342 -0.4374 -0.4374 -0.3111 -0.3111 -0.2693 -0.2693 -0.1424 -0.1424 -0.0741 -0.0741 0.0391 0.0391 0.0912 0.0912 0.2131 0.2131 0.3374 0.3374 0.4654 0.4654 0.5628 0.5628 0.6815 0.6815 0.7032 0.7032 4.5184 4.5184 4.5458 4.5458 4.6125 4.6125 4.7836 4.7836 4.8320 4.8320 5.0867 5.0867 k = 0.0000 0.2691 0.6169 ( 11206 PWs) bands (ev): -12.9119 -12.9119 -12.5329 -12.5329 -12.4940 -12.4940 -12.4764 -12.4764 -11.9811 -11.9811 -11.9446 -11.9446 -11.9390 -11.9390 -11.8363 -11.8363 -2.4131 -2.4131 -2.0904 -2.0904 -2.0428 -2.0428 -2.0126 -2.0126 -1.8751 -1.8751 -1.5440 -1.5440 -1.5258 -1.5258 -1.3722 -1.3722 -1.0929 -1.0929 -0.8613 -0.8613 -0.8239 -0.8239 -0.4282 -0.4282 -0.3103 -0.3103 -0.2711 -0.2711 -0.1452 -0.1452 -0.1174 -0.1174 0.0387 0.0387 0.0977 0.0977 0.2284 0.2284 0.3333 0.3333 0.4629 0.4629 0.5606 0.5606 0.6880 0.6880 0.7107 0.7107 4.5130 4.5130 4.5388 4.5388 4.6183 4.6183 4.7881 4.7881 4.8333 4.8333 5.0767 5.0767 k = 0.0000 0.2916 0.6169 ( 11202 PWs) bands (ev): -12.9011 -12.9011 -12.5446 -12.5446 -12.4943 -12.4943 -12.4763 -12.4763 -11.9791 -11.9791 -11.9435 -11.9435 -11.9420 -11.9420 -11.8362 -11.8362 -2.4070 -2.4070 -2.0915 -2.0915 -2.0650 -2.0650 -2.0156 -2.0156 -1.8712 -1.8712 -1.5428 -1.5428 -1.5188 -1.5188 -1.3694 -1.3694 -1.0847 -1.0847 -0.8533 -0.8533 -0.8203 -0.8203 -0.4160 -0.4160 -0.3088 -0.3088 -0.2696 -0.2696 -0.1648 -0.1648 -0.1441 -0.1441 0.0381 0.0381 0.1044 0.1044 0.2419 0.2419 0.3307 0.3307 0.4604 0.4604 0.5574 0.5574 0.6949 0.6949 0.7189 0.7189 4.5073 4.5073 4.5311 4.5311 4.6243 4.6243 4.7906 4.7906 4.8367 4.8367 5.0661 5.0661 k = 0.0000 0.3140 0.6169 ( 11213 PWs) bands (ev): -12.8895 -12.8895 -12.5573 -12.5573 -12.4946 -12.4946 -12.4758 -12.4758 -11.9771 -11.9771 -11.9455 -11.9455 -11.9419 -11.9419 -11.8363 -11.8363 -2.4019 -2.4019 -2.1064 -2.1064 -2.0808 -2.0808 -2.0147 -2.0147 -1.8583 -1.8583 -1.5415 -1.5415 -1.5109 -1.5109 -1.3661 -1.3661 -1.0794 -1.0794 -0.8476 -0.8476 -0.8228 -0.8228 -0.4020 -0.4020 -0.3060 -0.3060 -0.2656 -0.2656 -0.2104 -0.2104 -0.1433 -0.1433 0.0373 0.0373 0.1110 0.1110 0.2532 0.2532 0.3297 0.3297 0.4581 0.4581 0.5531 0.5531 0.7020 0.7020 0.7277 0.7277 4.5014 4.5014 4.5231 4.5231 4.6302 4.6302 4.7912 4.7912 4.8423 4.8423 5.0549 5.0549 k = 0.0000 0.3364 0.6169 ( 11210 PWs) bands (ev): -12.8773 -12.8773 -12.5710 -12.5710 -12.4949 -12.4949 -12.4751 -12.4751 -11.9751 -11.9751 -11.9485 -11.9485 -11.9406 -11.9406 -11.8365 -11.8365 -2.3975 -2.3975 -2.1362 -2.1362 -2.0819 -2.0819 -2.0172 -2.0172 -1.8364 -1.8364 -1.5396 -1.5396 -1.5025 -1.5025 -1.3624 -1.3624 -1.0775 -1.0775 -0.8451 -0.8451 -0.8296 -0.8296 -0.3886 -0.3886 -0.3027 -0.3027 -0.2647 -0.2647 -0.2484 -0.2484 -0.1402 -0.1402 0.0366 0.0366 0.1172 0.1172 0.2620 0.2620 0.3301 0.3301 0.4564 0.4564 0.5479 0.5479 0.7094 0.7094 0.7370 0.7370 4.4953 4.4953 4.5151 4.5151 4.6359 4.6359 4.7899 4.7899 4.8496 4.8496 5.0431 5.0431 k = 0.0000 0.3588 0.6169 ( 11212 PWs) bands (ev): -12.8644 -12.8644 -12.5854 -12.5854 -12.4952 -12.4952 -12.4741 -12.4741 -11.9731 -11.9731 -11.9514 -11.9514 -11.9390 -11.9390 -11.8370 -11.8370 -2.3935 -2.3935 -2.1672 -2.1672 -2.0808 -2.0808 -2.0232 -2.0232 -1.8071 -1.8071 -1.5368 -1.5368 -1.4938 -1.4938 -1.3585 -1.3585 -1.0794 -1.0794 -0.8518 -0.8518 -0.8336 -0.8336 -0.3807 -0.3807 -0.3117 -0.3117 -0.2814 -0.2814 -0.2466 -0.2466 -0.1353 -0.1353 0.0360 0.0360 0.1228 0.1228 0.2681 0.2681 0.3319 0.3319 0.4554 0.4554 0.5418 0.5418 0.7169 0.7169 0.7467 0.7467 4.4889 4.4889 4.5075 4.5075 4.6415 4.6415 4.7874 4.7874 4.8581 4.8581 5.0307 5.0307 k = 0.0000 0.3813 0.6169 ( 11200 PWs) bands (ev): -12.8510 -12.8510 -12.6006 -12.6006 -12.4955 -12.4955 -12.4730 -12.4730 -11.9713 -11.9713 -11.9541 -11.9541 -11.9373 -11.9373 -11.8376 -11.8376 -2.3897 -2.3897 -2.1974 -2.1974 -2.0791 -2.0791 -2.0314 -2.0314 -1.7725 -1.7725 -1.5326 -1.5326 -1.4849 -1.4849 -1.3545 -1.3545 -1.0849 -1.0849 -0.8696 -0.8696 -0.8325 -0.8325 -0.3912 -0.3912 -0.3296 -0.3296 -0.2757 -0.2757 -0.2357 -0.2357 -0.1289 -0.1289 0.0360 0.0360 0.1274 0.1274 0.2716 0.2716 0.3350 0.3350 0.4555 0.4555 0.5350 0.5350 0.7245 0.7245 0.7566 0.7566 4.4818 4.4818 4.5007 4.5007 4.6468 4.6468 4.7840 4.7840 4.8672 4.8672 5.0179 5.0179 k = 0.0000 0.4037 0.6169 ( 11197 PWs) bands (ev): -12.8370 -12.8370 -12.6164 -12.6164 -12.4958 -12.4958 -12.4718 -12.4718 -11.9698 -11.9698 -11.9564 -11.9564 -11.9354 -11.9354 -11.8384 -11.8384 -2.3857 -2.3857 -2.2262 -2.2262 -2.0772 -2.0772 -2.0410 -2.0410 -1.7347 -1.7347 -1.5264 -1.5264 -1.4759 -1.4759 -1.3507 -1.3507 -1.0935 -1.0935 -0.8933 -0.8933 -0.8305 -0.8305 -0.4235 -0.4235 -0.3304 -0.3304 -0.2645 -0.2645 -0.2224 -0.2224 -0.1215 -0.1215 0.0366 0.0366 0.1310 0.1310 0.2729 0.2729 0.3391 0.3391 0.4565 0.4565 0.5276 0.5276 0.7320 0.7320 0.7665 0.7665 4.4741 4.4741 4.4952 4.4952 4.6519 4.6519 4.7800 4.7800 4.8766 4.8766 5.0048 5.0048 k = 0.0000 0.4261 0.6169 ( 11191 PWs) bands (ev): -12.8225 -12.8225 -12.6328 -12.6328 -12.4961 -12.4961 -12.4704 -12.4704 -11.9691 -11.9691 -11.9580 -11.9580 -11.9333 -11.9333 -11.8393 -11.8393 -2.3814 -2.3814 -2.2534 -2.2534 -2.0754 -2.0754 -2.0511 -2.0511 -1.6961 -1.6961 -1.5172 -1.5172 -1.4672 -1.4672 -1.3472 -1.3472 -1.1047 -1.1047 -0.9219 -0.9219 -0.8285 -0.8285 -0.4607 -0.4607 -0.3259 -0.3259 -0.2518 -0.2518 -0.2075 -0.2075 -0.1135 -0.1135 0.0381 0.0381 0.1333 0.1333 0.2724 0.2724 0.3440 0.3440 0.4580 0.4580 0.5200 0.5200 0.7395 0.7395 0.7765 0.7765 4.4659 4.4659 4.4910 4.4910 4.6565 4.6565 4.7755 4.7755 4.8860 4.8860 4.9913 4.9913 k = 0.0000 0.4486 0.6169 ( 11191 PWs) bands (ev): -12.8076 -12.8076 -12.6497 -12.6497 -12.4964 -12.4964 -12.4689 -12.4689 -11.9694 -11.9694 -11.9585 -11.9585 -11.9310 -11.9310 -11.8404 -11.8404 -2.3765 -2.3765 -2.2790 -2.2790 -2.0744 -2.0744 -2.0604 -2.0604 -1.6597 -1.6597 -1.5033 -1.5033 -1.4585 -1.4585 -1.3444 -1.3444 -1.1174 -1.1174 -0.9546 -0.9546 -0.8267 -0.8267 -0.4959 -0.4959 -0.3215 -0.3215 -0.2389 -0.2389 -0.1917 -0.1917 -0.1057 -0.1057 0.0408 0.0408 0.1340 0.1340 0.2708 0.2708 0.3496 0.3496 0.4592 0.4592 0.5131 0.5131 0.7469 0.7469 0.7863 0.7863 4.4576 4.4576 4.4881 4.4881 4.6609 4.6609 4.7707 4.7707 4.8951 4.8951 4.9776 4.9776 k = 0.0000 0.4486 0.6169 ( 11191 PWs) bands (ev): -12.8076 -12.8076 -12.6497 -12.6497 -12.4964 -12.4964 -12.4689 -12.4689 -11.9694 -11.9694 -11.9585 -11.9585 -11.9310 -11.9310 -11.8404 -11.8404 -2.3765 -2.3765 -2.2790 -2.2790 -2.0744 -2.0744 -2.0604 -2.0604 -1.6597 -1.6597 -1.5033 -1.5033 -1.4585 -1.4585 -1.3444 -1.3444 -1.1174 -1.1174 -0.9546 -0.9546 -0.8267 -0.8267 -0.4959 -0.4959 -0.3215 -0.3215 -0.2389 -0.2389 -0.1917 -0.1917 -0.1057 -0.1057 0.0408 0.0408 0.1340 0.1340 0.2708 0.2708 0.3496 0.3496 0.4592 0.4592 0.5131 0.5131 0.7469 0.7469 0.7863 0.7863 4.4576 4.4576 4.4881 4.4881 4.6609 4.6609 4.7707 4.7707 4.8951 4.8951 4.9776 4.9776 k = 0.0000 0.4616 0.5980 ( 11191 PWs) bands (ev): -12.7982 -12.7982 -12.6569 -12.6569 -12.4975 -12.4975 -12.4700 -12.4700 -11.9707 -11.9707 -11.9604 -11.9604 -11.9267 -11.9267 -11.8419 -11.8419 -2.3803 -2.3803 -2.2892 -2.2892 -2.0839 -2.0839 -2.0709 -2.0709 -1.6405 -1.6405 -1.4932 -1.4932 -1.4416 -1.4416 -1.3423 -1.3423 -1.1095 -1.1095 -0.9864 -0.9864 -0.8314 -0.8314 -0.5214 -0.5214 -0.3135 -0.3135 -0.2266 -0.2266 -0.1805 -0.1805 -0.0937 -0.0937 0.0426 0.0426 0.1312 0.1312 0.2721 0.2721 0.3551 0.3551 0.4527 0.4527 0.5077 0.5077 0.7594 0.7594 0.7979 0.7979 4.4535 4.4535 4.4830 4.4830 4.6639 4.6639 4.7628 4.7628 4.8936 4.8936 4.9662 4.9662 k = 0.0000 0.4746 0.5792 ( 11181 PWs) bands (ev): -12.7891 -12.7891 -12.6639 -12.6639 -12.4982 -12.4982 -12.4713 -12.4713 -11.9719 -11.9719 -11.9623 -11.9623 -11.9219 -11.9219 -11.8438 -11.8438 -2.3833 -2.3833 -2.2992 -2.2992 -2.0931 -2.0931 -2.0812 -2.0812 -1.6218 -1.6218 -1.4818 -1.4818 -1.4282 -1.4282 -1.3380 -1.3380 -1.1000 -1.1000 -1.0167 -1.0167 -0.8381 -0.8381 -0.5495 -0.5495 -0.3022 -0.3022 -0.2155 -0.2155 -0.1696 -0.1696 -0.0832 -0.0832 0.0450 0.0450 0.1278 0.1278 0.2749 0.2749 0.3605 0.3605 0.4461 0.4461 0.5016 0.5016 0.7719 0.7719 0.8088 0.8088 4.4502 4.4502 4.4782 4.4782 4.6662 4.6662 4.7543 4.7543 4.8924 4.8924 4.9555 4.9555 k = 0.0000 0.4877 0.5603 ( 11187 PWs) bands (ev): -12.7805 -12.7805 -12.6708 -12.6708 -12.4985 -12.4985 -12.4727 -12.4727 -11.9730 -11.9730 -11.9643 -11.9643 -11.9168 -11.9168 -11.8461 -11.8461 -2.3856 -2.3856 -2.3089 -2.3089 -2.1020 -2.1020 -2.0912 -2.0912 -1.6033 -1.6033 -1.4697 -1.4697 -1.4195 -1.4195 -1.3310 -1.3310 -1.0893 -1.0893 -1.0447 -1.0447 -0.8461 -0.8461 -0.5793 -0.5793 -0.2886 -0.2886 -0.2057 -0.2057 -0.1589 -0.1589 -0.0745 -0.0745 0.0483 0.0483 0.1239 0.1239 0.2794 0.2794 0.3654 0.3654 0.4393 0.4393 0.4947 0.4947 0.7842 0.7842 0.8189 0.8189 4.4477 4.4477 4.4739 4.4739 4.6679 4.6679 4.7451 4.7451 4.8916 4.8916 4.9456 4.9456 k = 0.0000 0.5007 0.5415 ( 11188 PWs) bands (ev): -12.7722 -12.7722 -12.6776 -12.6776 -12.4984 -12.4984 -12.4743 -12.4743 -11.9740 -11.9740 -11.9662 -11.9662 -11.9116 -11.9116 -11.8487 -11.8487 -2.3870 -2.3870 -2.3183 -2.3183 -2.1102 -2.1102 -2.1005 -2.1005 -1.5851 -1.5851 -1.4571 -1.4571 -1.4155 -1.4155 -1.3219 -1.3219 -1.0782 -1.0782 -1.0695 -1.0695 -0.8546 -0.8546 -0.6100 -0.6100 -0.2737 -0.2737 -0.1973 -0.1973 -0.1486 -0.1486 -0.0683 -0.0683 0.0524 0.0524 0.1197 0.1197 0.2855 0.2855 0.3698 0.3698 0.4329 0.4329 0.4872 0.4872 0.7960 0.7960 0.8279 0.8279 4.4460 4.4460 4.4700 4.4700 4.6691 4.6691 4.7357 4.7357 4.8913 4.8913 4.9367 4.9367 k = 0.0000 0.5138 0.5227 ( 11187 PWs) bands (ev): -12.7643 -12.7643 -12.6842 -12.6842 -12.4978 -12.4978 -12.4761 -12.4761 -11.9748 -11.9748 -11.9680 -11.9680 -11.9062 -11.9062 -11.8516 -11.8516 -2.3876 -2.3876 -2.3274 -2.3274 -2.1175 -2.1175 -2.1091 -2.1091 -1.5671 -1.5671 -1.4446 -1.4446 -1.4151 -1.4151 -1.3130 -1.3130 -1.0903 -1.0903 -1.0670 -1.0670 -0.8627 -0.8627 -0.6413 -0.6413 -0.2583 -0.2583 -0.1904 -0.1904 -0.1386 -0.1386 -0.0646 -0.0646 0.0571 0.0571 0.1151 0.1151 0.2931 0.2931 0.3732 0.3732 0.4272 0.4272 0.4791 0.4791 0.8070 0.8070 0.8356 0.8356 4.4450 4.4450 4.4665 4.4665 4.6700 4.6700 4.7262 4.7262 4.8913 4.8913 4.9287 4.9287 k = 0.0000 0.5268 0.5038 ( 11191 PWs) bands (ev): -12.7567 -12.7567 -12.6907 -12.6907 -12.4969 -12.4969 -12.4780 -12.4780 -11.9754 -11.9754 -11.9696 -11.9696 -11.9009 -11.9009 -11.8548 -11.8548 -2.3872 -2.3872 -2.3360 -2.3360 -2.1239 -2.1239 -2.1167 -2.1167 -1.5493 -1.5493 -1.4344 -1.4344 -1.4153 -1.4153 -1.3068 -1.3068 -1.1047 -1.1047 -1.0579 -1.0579 -0.8685 -0.8685 -0.6726 -0.6726 -0.2430 -0.2430 -0.1851 -0.1851 -0.1288 -0.1288 -0.0633 -0.0633 0.0621 0.0621 0.1103 0.1103 0.3020 0.3020 0.3752 0.3752 0.4227 0.4227 0.4707 0.4707 0.8172 0.8172 0.8419 0.8419 4.4447 4.4447 4.4633 4.4633 4.6707 4.6707 4.7169 4.7169 4.8917 4.8917 4.9218 4.9218 k = 0.0000 0.5398 0.4850 ( 11189 PWs) bands (ev): -12.7494 -12.7494 -12.6971 -12.6971 -12.4957 -12.4957 -12.4800 -12.4800 -11.9758 -11.9758 -11.9711 -11.9711 -11.8956 -11.8956 -11.8584 -11.8584 -2.3858 -2.3858 -2.3442 -2.3442 -2.1292 -2.1292 -2.1233 -2.1233 -1.5319 -1.5319 -1.4326 -1.4326 -1.4088 -1.4088 -1.3058 -1.3058 -1.1117 -1.1117 -1.0523 -1.0523 -0.8701 -0.8701 -0.7037 -0.7037 -0.2286 -0.2286 -0.1815 -0.1815 -0.1193 -0.1193 -0.0643 -0.0643 0.0672 0.0672 0.1055 0.1055 0.3119 0.3119 0.3752 0.3752 0.4200 0.4200 0.4620 0.4620 0.8263 0.8263 0.8466 0.8466 4.4451 4.4451 4.4604 4.4604 4.6715 4.6715 4.7080 4.7080 4.8925 4.8925 4.9158 4.9158 k = 0.0000 0.5529 0.4661 ( 11193 PWs) bands (ev): -12.7424 -12.7424 -12.7035 -12.7035 -12.4942 -12.4942 -12.4821 -12.4821 -11.9760 -11.9760 -11.9724 -11.9724 -11.8904 -11.8904 -11.8623 -11.8623 -2.3835 -2.3835 -2.3519 -2.3519 -2.1332 -2.1332 -2.1287 -2.1287 -1.5150 -1.5150 -1.4384 -1.4384 -1.3961 -1.3961 -1.3109 -1.3109 -1.1107 -1.1107 -1.0518 -1.0518 -0.8658 -0.8658 -0.7342 -0.7342 -0.2154 -0.2154 -0.1798 -0.1798 -0.1101 -0.1101 -0.0672 -0.0672 0.0722 0.0722 0.1007 0.1007 0.3224 0.3224 0.3728 0.3728 0.4196 0.4196 0.4534 0.4534 0.8342 0.8342 0.8498 0.8498 4.4460 4.4460 4.4578 4.4578 4.6727 4.6727 4.6999 4.6999 4.8937 4.8937 4.9107 4.9107 k = 0.0000 0.5659 0.4473 ( 11185 PWs) bands (ev): -12.7356 -12.7356 -12.7098 -12.7098 -12.4924 -12.4924 -12.4842 -12.4842 -11.9759 -11.9759 -11.9735 -11.9735 -11.8852 -11.8852 -11.8664 -11.8664 -2.3803 -2.3803 -2.3590 -2.3590 -2.1359 -2.1359 -2.1328 -2.1328 -1.4990 -1.4990 -1.4472 -1.4472 -1.3815 -1.3815 -1.3212 -1.3212 -1.1033 -1.1033 -1.0569 -1.0569 -0.8548 -0.8548 -0.7634 -0.7634 -0.2040 -0.2040 -0.1801 -0.1801 -0.1011 -0.1011 -0.0718 -0.0718 0.0771 0.0771 0.0959 0.0959 0.3330 0.3330 0.3680 0.3680 0.4216 0.4216 0.4451 0.4451 0.8407 0.8407 0.8512 0.8512 4.4473 4.4473 4.4553 4.4553 4.6747 4.6747 4.6926 4.6926 4.8953 4.8953 4.9064 4.9064 k = 0.0000 0.5790 0.4284 ( 11192 PWs) bands (ev): -12.7290 -12.7290 -12.7161 -12.7161 -12.4905 -12.4905 -12.4864 -12.4864 -11.9757 -11.9757 -11.9745 -11.9745 -11.8802 -11.8802 -11.8708 -11.8708 -2.3761 -2.3761 -2.3655 -2.3655 -2.1372 -2.1372 -2.1357 -2.1357 -1.4840 -1.4840 -1.4579 -1.4579 -1.3660 -1.3660 -1.3349 -1.3349 -1.0919 -1.0919 -1.0665 -1.0665 -0.8379 -0.8379 -0.7910 -0.7910 -0.1946 -0.1946 -0.1827 -0.1827 -0.0927 -0.0927 -0.0777 -0.0777 0.0819 0.0819 0.0912 0.0912 0.3433 0.3433 0.3612 0.3612 0.4254 0.4254 0.4375 0.4375 0.8457 0.8457 0.8511 0.8511 4.4489 4.4489 4.4530 4.4530 4.6775 4.6775 4.6864 4.6864 4.8974 4.8974 4.9028 4.9028 k = 0.0000 0.5920 0.4096 ( 11188 PWs) bands (ev): -12.7225 -12.7225 -12.7225 -12.7225 -12.4885 -12.4885 -12.4885 -12.4885 -11.9752 -11.9752 -11.9752 -11.9752 -11.8754 -11.8754 -11.8754 -11.8754 -2.3712 -2.3712 -2.3712 -2.3712 -2.1371 -2.1371 -2.1371 -2.1371 -1.4702 -1.4702 -1.4702 -1.4702 -1.3502 -1.3502 -1.3502 -1.3502 -1.0789 -1.0789 -1.0789 -1.0789 -0.8162 -0.8162 -0.8162 -0.8162 -0.1875 -0.1875 -0.1875 -0.1875 -0.0848 -0.0848 -0.0848 -0.0848 0.0865 0.0865 0.0865 0.0865 0.3528 0.3528 0.3528 0.3528 0.4309 0.4309 0.4309 0.4309 0.8492 0.8492 0.8492 0.8492 4.4509 4.4509 4.4509 4.4509 4.6814 4.6814 4.6814 4.6814 4.8998 4.8998 4.8998 4.8998 k = 0.0000 0.5920 0.4096 ( 11188 PWs) bands (ev): -12.7225 -12.7225 -12.7225 -12.7225 -12.4885 -12.4885 -12.4885 -12.4885 -11.9752 -11.9752 -11.9752 -11.9752 -11.8754 -11.8754 -11.8754 -11.8754 -2.3712 -2.3712 -2.3712 -2.3712 -2.1371 -2.1371 -2.1371 -2.1371 -1.4702 -1.4702 -1.4702 -1.4702 -1.3502 -1.3502 -1.3502 -1.3502 -1.0789 -1.0789 -1.0789 -1.0789 -0.8162 -0.8162 -0.8162 -0.8162 -0.1875 -0.1875 -0.1875 -0.1875 -0.0848 -0.0848 -0.0848 -0.0848 0.0865 0.0865 0.0865 0.0865 0.3528 0.3528 0.3528 0.3528 0.4309 0.4309 0.4309 0.4309 0.8492 0.8492 0.8492 0.8492 4.4509 4.4509 4.4509 4.4509 4.6814 4.6814 4.6814 4.6814 4.8998 4.8998 4.8998 4.8998 k = 0.0227 0.5920 0.4096 ( 11196 PWs) bands (ev): -12.7224 -12.7224 -12.7224 -12.7224 -12.4885 -12.4885 -12.4885 -12.4885 -11.9753 -11.9753 -11.9752 -11.9752 -11.8754 -11.8754 -11.8754 -11.8754 -2.3706 -2.3706 -2.3705 -2.3705 -2.1370 -2.1370 -2.1368 -2.1368 -1.4713 -1.4713 -1.4712 -1.4712 -1.3513 -1.3513 -1.3487 -1.3487 -1.0809 -1.0809 -1.0747 -1.0747 -0.8170 -0.8170 -0.8135 -0.8135 -0.1894 -0.1894 -0.1885 -0.1885 -0.0887 -0.0887 -0.0860 -0.0860 0.0847 0.0847 0.0864 0.0864 0.3550 0.3550 0.3552 0.3552 0.4315 0.4315 0.4316 0.4316 0.8484 0.8484 0.8486 0.8486 4.4508 4.4508 4.4512 4.4512 4.6812 4.6812 4.6822 4.6822 4.8990 4.8990 4.9000 4.9000 k = 0.0455 0.5920 0.4096 ( 11188 PWs) bands (ev): -12.7223 -12.7223 -12.7223 -12.7223 -12.4885 -12.4885 -12.4884 -12.4884 -11.9757 -11.9757 -11.9755 -11.9755 -11.8754 -11.8754 -11.8752 -11.8752 -2.3689 -2.3689 -2.3686 -2.3686 -2.1365 -2.1365 -2.1360 -2.1360 -1.4745 -1.4745 -1.4742 -1.4742 -1.3516 -1.3516 -1.3469 -1.3469 -1.0806 -1.0806 -1.0685 -1.0685 -0.8160 -0.8160 -0.8092 -0.8092 -0.1944 -0.1944 -0.1926 -0.1926 -0.0971 -0.0971 -0.0921 -0.0921 0.0814 0.0814 0.0845 0.0845 0.3614 0.3614 0.3617 0.3617 0.4336 0.4336 0.4338 0.4338 0.8462 0.8462 0.8466 0.8466 4.4509 4.4509 4.4517 4.4517 4.6816 4.6816 4.6835 4.6835 4.8976 4.8976 4.8994 4.8994 k = 0.0682 0.5920 0.4096 ( 11176 PWs) bands (ev): -12.7221 -12.7221 -12.7220 -12.7220 -12.4884 -12.4884 -12.4883 -12.4883 -11.9763 -11.9763 -11.9760 -11.9760 -11.8753 -11.8753 -11.8751 -11.8751 -2.3659 -2.3659 -2.3654 -2.3654 -2.1355 -2.1355 -2.1347 -2.1347 -1.4797 -1.4797 -1.4790 -1.4790 -1.3510 -1.3510 -1.3446 -1.3446 -1.0781 -1.0781 -1.0608 -1.0608 -0.8131 -0.8131 -0.8032 -0.8032 -0.2033 -0.2033 -0.2008 -0.2008 -0.1086 -0.1086 -0.1016 -0.1016 0.0770 0.0770 0.0811 0.0811 0.3707 0.3707 0.3711 0.3711 0.4374 0.4374 0.4378 0.4378 0.8426 0.8426 0.8432 0.8432 4.4513 4.4513 4.4525 4.4525 4.6826 4.6826 4.6853 4.6853 4.8955 4.8955 4.8983 4.8983 k = 0.0909 0.5920 0.4096 ( 11186 PWs) bands (ev): -12.7217 -12.7217 -12.7217 -12.7217 -12.4884 -12.4884 -12.4882 -12.4882 -11.9771 -11.9771 -11.9767 -11.9767 -11.8752 -11.8752 -11.8749 -11.8749 -2.3618 -2.3618 -2.3612 -2.3612 -2.1341 -2.1341 -2.1330 -2.1330 -1.4868 -1.4868 -1.4856 -1.4856 -1.3491 -1.3491 -1.3418 -1.3418 -1.0737 -1.0737 -1.0521 -1.0521 -0.8082 -0.8082 -0.7956 -0.7956 -0.2172 -0.2172 -0.2143 -0.2143 -0.1209 -0.1209 -0.1127 -0.1127 0.0718 0.0718 0.0766 0.0766 0.3813 0.3813 0.3818 0.3818 0.4432 0.4432 0.4441 0.4441 0.8378 0.8378 0.8386 0.8386 4.4520 4.4520 4.4534 4.4534 4.6840 4.6840 4.6876 4.6876 4.8929 4.8929 4.8965 4.8965 k = 0.1136 0.5920 0.4096 ( 11178 PWs) bands (ev): -12.7213 -12.7213 -12.7212 -12.7212 -12.4883 -12.4883 -12.4881 -12.4881 -11.9780 -11.9780 -11.9776 -11.9776 -11.8750 -11.8750 -11.8747 -11.8747 -2.3567 -2.3567 -2.3560 -2.3560 -2.1321 -2.1321 -2.1307 -2.1307 -1.4954 -1.4954 -1.4936 -1.4936 -1.3459 -1.3459 -1.3382 -1.3382 -1.0679 -1.0679 -1.0430 -1.0430 -0.8012 -0.8012 -0.7865 -0.7865 -0.2369 -0.2369 -0.2343 -0.2343 -0.1320 -0.1320 -0.1234 -0.1234 0.0663 0.0663 0.0713 0.0713 0.3918 0.3918 0.3922 0.3922 0.4516 0.4516 0.4531 0.4531 0.8317 0.8317 0.8327 0.8327 4.4530 4.4530 4.4547 4.4547 4.6857 4.6857 4.6900 4.6900 4.8899 4.8899 4.8942 4.8942 k = 0.1364 0.5920 0.4096 ( 11184 PWs) bands (ev): -12.7208 -12.7208 -12.7207 -12.7207 -12.4881 -12.4881 -12.4880 -12.4880 -11.9791 -11.9791 -11.9787 -11.9787 -11.8748 -11.8748 -11.8744 -11.8744 -2.3508 -2.3508 -2.3499 -2.3499 -2.1297 -2.1297 -2.1280 -2.1280 -1.5052 -1.5052 -1.5028 -1.5028 -1.3413 -1.3413 -1.3337 -1.3337 -1.0610 -1.0610 -1.0339 -1.0339 -0.7923 -0.7923 -0.7761 -0.7761 -0.2626 -0.2626 -0.2606 -0.2606 -0.1409 -0.1409 -0.1326 -0.1326 0.0604 0.0604 0.0654 0.0654 0.4010 0.4010 0.4012 0.4012 0.4626 0.4626 0.4649 0.4649 0.8245 0.8245 0.8259 0.8259 4.4545 4.4545 4.4563 4.4563 4.6877 4.6877 4.6925 4.6925 4.8864 4.8864 4.8914 4.8914 k = 0.1591 0.5920 0.4096 ( 11180 PWs) bands (ev): -12.7202 -12.7202 -12.7201 -12.7201 -12.4880 -12.4880 -12.4878 -12.4878 -11.9804 -11.9804 -11.9799 -11.9799 -11.8746 -11.8746 -11.8741 -11.8741 -2.3441 -2.3441 -2.3431 -2.3431 -2.1267 -2.1267 -2.1248 -2.1248 -1.5159 -1.5159 -1.5129 -1.5129 -1.3351 -1.3351 -1.3281 -1.3281 -1.0535 -1.0535 -1.0253 -1.0253 -0.7815 -0.7815 -0.7645 -0.7645 -0.2932 -0.2932 -0.2920 -0.2920 -0.1480 -0.1480 -0.1402 -0.1402 0.0542 0.0542 0.0591 0.0591 0.4084 0.4084 0.4086 0.4086 0.4758 0.4758 0.4790 0.4790 0.8165 0.8165 0.8181 0.8181 4.4563 4.4563 4.4582 4.4582 4.6897 4.6897 4.6950 4.6950 4.8828 4.8828 4.8883 4.8883 k = 0.1818 0.5920 0.4096 ( 11192 PWs) bands (ev): -12.7196 -12.7196 -12.7195 -12.7195 -12.4878 -12.4878 -12.4876 -12.4876 -11.9818 -11.9818 -11.9812 -11.9812 -11.8743 -11.8743 -11.8738 -11.8738 -2.3369 -2.3369 -2.3358 -2.3358 -2.1232 -2.1232 -2.1210 -2.1210 -1.5271 -1.5271 -1.5237 -1.5237 -1.3275 -1.3275 -1.3212 -1.3212 -1.0457 -1.0457 -1.0174 -1.0174 -0.7692 -0.7692 -0.7520 -0.7520 -0.3275 -0.3275 -0.3271 -0.3271 -0.1537 -0.1537 -0.1465 -0.1465 0.0477 0.0477 0.0525 0.0525 0.4143 0.4143 0.4148 0.4148 0.4902 0.4902 0.4943 0.4943 0.8077 0.8077 0.8097 0.8097 4.4586 4.4586 4.4605 4.4605 4.6916 4.6916 4.6971 4.6971 4.8790 4.8790 4.8850 4.8850 k = 0.2045 0.5920 0.4096 ( 11192 PWs) bands (ev): -12.7190 -12.7190 -12.7188 -12.7188 -12.4877 -12.4877 -12.4875 -12.4875 -11.9833 -11.9833 -11.9827 -11.9827 -11.8740 -11.8740 -11.8735 -11.8735 -2.3294 -2.3294 -2.3281 -2.3281 -2.1191 -2.1191 -2.1167 -2.1167 -1.5385 -1.5385 -1.5347 -1.5347 -1.3184 -1.3184 -1.3130 -1.3130 -1.0380 -1.0380 -1.0105 -1.0105 -0.7556 -0.7556 -0.7392 -0.7392 -0.3646 -0.3646 -0.3641 -0.3641 -0.1586 -0.1586 -0.1519 -0.1519 0.0409 0.0409 0.0455 0.0455 0.4192 0.4192 0.4201 0.4201 0.5051 0.5051 0.5101 0.5101 0.7983 0.7983 0.8008 0.8008 4.4613 4.4613 4.4632 4.4632 4.6932 4.6932 4.6988 4.6988 4.8753 4.8753 4.8815 4.8815 k = 0.2273 0.5920 0.4096 ( 11196 PWs) bands (ev): -12.7183 -12.7183 -12.7181 -12.7181 -12.4875 -12.4875 -12.4873 -12.4873 -11.9848 -11.9848 -11.9842 -11.9842 -11.8737 -11.8737 -11.8732 -11.8732 -2.3218 -2.3218 -2.3204 -2.3204 -2.1144 -2.1144 -2.1119 -2.1119 -1.5498 -1.5498 -1.5459 -1.5459 -1.3077 -1.3077 -1.3032 -1.3032 -1.0305 -1.0305 -1.0046 -1.0046 -0.7415 -0.7415 -0.7266 -0.7266 -0.4031 -0.4031 -0.4017 -0.4017 -0.1630 -0.1630 -0.1567 -0.1567 0.0338 0.0338 0.0383 0.0383 0.4234 0.4234 0.4247 0.4247 0.5195 0.5195 0.5255 0.5255 0.7887 0.7887 0.7917 0.7917 4.4645 4.4645 4.4663 4.4663 4.6943 4.6943 4.6999 4.6999 4.8718 4.8718 4.8781 4.8781 k = 0.2500 0.5920 0.4096 ( 11198 PWs) bands (ev): -12.7175 -12.7175 -12.7174 -12.7174 -12.4873 -12.4873 -12.4871 -12.4871 -11.9863 -11.9863 -11.9857 -11.9857 -11.8734 -11.8734 -11.8729 -11.8729 -2.3142 -2.3142 -2.3128 -2.3128 -2.1093 -2.1093 -2.1066 -2.1066 -1.5607 -1.5607 -1.5568 -1.5568 -1.2955 -1.2955 -1.2920 -1.2920 -1.0234 -1.0234 -0.9997 -0.9997 -0.7279 -0.7279 -0.7152 -0.7152 -0.4414 -0.4414 -0.4388 -0.4388 -0.1670 -0.1670 -0.1611 -0.1611 0.0265 0.0265 0.0308 0.0308 0.4272 0.4272 0.4288 0.4288 0.5332 0.5332 0.5400 0.5400 0.7790 0.7790 0.7825 0.7825 4.4682 4.4682 4.4698 4.4698 4.6948 4.6948 4.7002 4.7002 4.8686 4.8686 4.8749 4.8749 k = 0.2727 0.5920 0.4096 ( 11208 PWs) bands (ev): -12.7168 -12.7168 -12.7167 -12.7167 -12.4871 -12.4871 -12.4869 -12.4869 -11.9879 -11.9879 -11.9873 -11.9873 -11.8731 -11.8731 -11.8726 -11.8726 -2.3069 -2.3069 -2.3054 -2.3054 -2.1037 -2.1037 -2.1009 -2.1009 -1.5712 -1.5712 -1.5674 -1.5674 -1.2817 -1.2817 -1.2792 -1.2792 -1.0168 -1.0168 -0.9959 -0.9959 -0.7161 -0.7161 -0.7066 -0.7066 -0.4779 -0.4779 -0.4736 -0.4736 -0.1707 -0.1707 -0.1651 -0.1651 0.0190 0.0190 0.0233 0.0233 0.4307 0.4307 0.4325 0.4325 0.5457 0.5457 0.5534 0.5534 0.7695 0.7695 0.7736 0.7736 4.4722 4.4722 4.4736 4.4736 4.6947 4.6947 4.6997 4.6997 4.8658 4.8658 4.8719 4.8719 k = 0.2955 0.5920 0.4096 ( 11214 PWs) bands (ev): -12.7161 -12.7161 -12.7160 -12.7160 -12.4869 -12.4869 -12.4866 -12.4866 -11.9894 -11.9894 -11.9889 -11.9889 -11.8727 -11.8727 -11.8723 -11.8723 -2.3000 -2.3000 -2.2985 -2.2985 -2.0977 -2.0977 -2.0949 -2.0949 -1.5811 -1.5811 -1.5774 -1.5774 -1.2663 -1.2663 -1.2648 -1.2648 -1.0109 -1.0109 -0.9930 -0.9930 -0.7084 -0.7084 -0.7030 -0.7030 -0.5101 -0.5101 -0.5036 -0.5036 -0.1741 -0.1741 -0.1688 -0.1688 0.0115 0.0115 0.0157 0.0157 0.4337 0.4337 0.4358 0.4358 0.5569 0.5569 0.5652 0.5652 0.7606 0.7606 0.7652 0.7652 4.4765 4.4765 4.4778 4.4778 4.6938 4.6938 4.6983 4.6983 4.8636 4.8636 4.8693 4.8693 k = 0.3182 0.5920 0.4096 ( 11210 PWs) bands (ev): -12.7155 -12.7155 -12.7153 -12.7153 -12.4867 -12.4867 -12.4864 -12.4864 -11.9909 -11.9909 -11.9903 -11.9903 -11.8724 -11.8724 -11.8720 -11.8720 -2.2936 -2.2936 -2.2922 -2.2922 -2.0915 -2.0915 -2.0888 -2.0888 -1.5902 -1.5902 -1.5868 -1.5868 -1.2494 -1.2494 -1.2488 -1.2488 -1.0056 -1.0056 -0.9912 -0.9912 -0.7081 -0.7081 -0.7074 -0.7074 -0.5348 -0.5348 -0.5256 -0.5256 -0.1773 -0.1773 -0.1723 -0.1723 0.0042 0.0042 0.0081 0.0081 0.4365 0.4365 0.4388 0.4388 0.5665 0.5665 0.5754 0.5754 0.7524 0.7524 0.7575 0.7575 4.4811 4.4811 4.4821 4.4821 4.6922 4.6922 4.6961 4.6961 4.8619 4.8619 4.8671 4.8671 k = 0.3409 0.5920 0.4096 ( 11208 PWs) bands (ev): -12.7148 -12.7148 -12.7147 -12.7147 -12.4865 -12.4865 -12.4863 -12.4863 -11.9922 -11.9922 -11.9917 -11.9917 -11.8721 -11.8721 -11.8717 -11.8717 -2.2879 -2.2879 -2.2865 -2.2865 -2.0852 -2.0852 -2.0826 -2.0826 -1.5984 -1.5984 -1.5953 -1.5953 -1.2312 -1.2312 -1.2308 -1.2308 -1.0012 -1.0012 -0.9905 -0.9905 -0.7216 -0.7216 -0.7179 -0.7179 -0.5488 -0.5488 -0.5377 -0.5377 -0.1801 -0.1801 -0.1755 -0.1755 -0.0030 -0.0030 0.0008 0.0008 0.4390 0.4390 0.4413 0.4413 0.5746 0.5746 0.5837 0.5837 0.7454 0.7454 0.7508 0.7508 4.4858 4.4858 4.4866 4.4866 4.6899 4.6899 4.6932 4.6932 4.8608 4.8608 4.8654 4.8654 k = 0.3636 0.5920 0.4096 ( 11204 PWs) bands (ev): -12.7143 -12.7143 -12.7141 -12.7141 -12.4863 -12.4863 -12.4861 -12.4861 -11.9934 -11.9934 -11.9930 -11.9930 -11.8719 -11.8719 -11.8715 -11.8715 -2.2829 -2.2829 -2.2816 -2.2816 -2.0791 -2.0791 -2.0767 -2.0767 -1.6056 -1.6056 -1.6029 -1.6029 -1.2122 -1.2122 -1.2109 -1.2109 -0.9977 -0.9977 -0.9909 -0.9909 -0.7441 -0.7441 -0.7376 -0.7376 -0.5525 -0.5525 -0.5410 -0.5410 -0.1826 -0.1826 -0.1784 -0.1784 -0.0097 -0.0097 -0.0062 -0.0062 0.4411 0.4411 0.4434 0.4434 0.5811 0.5811 0.5902 0.5902 0.7395 0.7395 0.7450 0.7450 4.4904 4.4904 4.4910 4.4910 4.6872 4.6872 4.6898 4.6898 4.8600 4.8600 4.8640 4.8640 k = 0.3864 0.5920 0.4096 ( 11202 PWs) bands (ev): -12.7137 -12.7137 -12.7136 -12.7136 -12.4861 -12.4861 -12.4859 -12.4859 -11.9945 -11.9945 -11.9942 -11.9942 -11.8716 -11.8716 -11.8713 -11.8713 -2.2786 -2.2786 -2.2775 -2.2775 -2.0734 -2.0734 -2.0713 -2.0713 -1.6118 -1.6118 -1.6095 -1.6095 -1.1921 -1.1921 -1.1899 -1.1899 -0.9954 -0.9954 -0.9925 -0.9925 -0.7711 -0.7711 -0.7632 -0.7632 -0.5494 -0.5494 -0.5389 -0.5389 -0.1847 -0.1847 -0.1809 -0.1809 -0.0158 -0.0158 -0.0126 -0.0126 0.4429 0.4429 0.4451 0.4451 0.5863 0.5863 0.5949 0.5949 0.7351 0.7351 0.7403 0.7403 4.4949 4.4949 4.4953 4.4953 4.6843 4.6843 4.6863 4.6863 4.8597 4.8597 4.8630 4.8630 k = 0.4091 0.5920 0.4096 ( 11206 PWs) bands (ev): -12.7133 -12.7133 -12.7132 -12.7132 -12.4859 -12.4859 -12.4858 -12.4858 -11.9954 -11.9954 -11.9951 -11.9951 -11.8714 -11.8714 -11.8712 -11.8712 -2.2751 -2.2751 -2.2742 -2.2742 -2.0683 -2.0683 -2.0665 -2.0665 -1.6169 -1.6169 -1.6151 -1.6151 -1.1712 -1.1712 -1.1682 -1.1682 -0.9956 -0.9956 -0.9948 -0.9948 -0.7989 -0.7989 -0.7903 -0.7903 -0.5431 -0.5431 -0.5344 -0.5344 -0.1863 -0.1863 -0.1832 -0.1832 -0.0211 -0.0211 -0.0184 -0.0184 0.4445 0.4445 0.4464 0.4464 0.5903 0.5903 0.5979 0.5979 0.7319 0.7319 0.7366 0.7366 4.4990 4.4990 4.4992 4.4992 4.6813 4.6813 4.6827 4.6827 4.8596 4.8596 4.8622 4.8622 k = 0.4318 0.5920 0.4096 ( 11214 PWs) bands (ev): -12.7130 -12.7130 -12.7129 -12.7129 -12.4858 -12.4858 -12.4857 -12.4857 -11.9961 -11.9961 -11.9959 -11.9959 -11.8712 -11.8712 -11.8710 -11.8710 -2.2724 -2.2724 -2.2717 -2.2717 -2.0640 -2.0640 -2.0626 -2.0626 -1.6209 -1.6209 -1.6195 -1.6195 -1.1505 -1.1505 -1.1468 -1.1468 -1.0001 -1.0001 -0.9963 -0.9963 -0.8241 -0.8241 -0.8158 -0.8158 -0.5362 -0.5362 -0.5295 -0.5295 -0.1876 -0.1876 -0.1851 -0.1851 -0.0254 -0.0254 -0.0232 -0.0232 0.4457 0.4457 0.4473 0.4473 0.5934 0.5934 0.5995 0.5995 0.7299 0.7299 0.7338 0.7338 4.5024 4.5024 4.5026 4.5026 4.6786 4.6786 4.6796 4.6796 4.8597 4.8597 4.8616 4.8616 k = 0.4545 0.5920 0.4096 ( 11210 PWs) bands (ev): -12.7127 -12.7127 -12.7127 -12.7127 -12.4857 -12.4857 -12.4856 -12.4856 -11.9967 -11.9967 -11.9965 -11.9965 -11.8711 -11.8711 -11.8710 -11.8710 -2.2704 -2.2704 -2.2699 -2.2699 -2.0607 -2.0607 -2.0598 -2.0598 -1.6237 -1.6237 -1.6227 -1.6227 -1.1313 -1.1313 -1.1275 -1.1275 -1.0056 -1.0056 -1.0004 -1.0004 -0.8438 -0.8438 -0.8368 -0.8368 -0.5301 -0.5301 -0.5256 -0.5256 -0.1884 -0.1884 -0.1867 -0.1867 -0.0285 -0.0285 -0.0270 -0.0270 0.4467 0.4467 0.4478 0.4478 0.5957 0.5957 0.6000 0.6000 0.7289 0.7289 0.7317 0.7317 4.5051 4.5051 4.5052 4.5052 4.6764 4.6764 4.6771 4.6771 4.8600 4.8600 4.8612 4.8612 k = 0.4773 0.5920 0.4096 ( 11208 PWs) bands (ev): -12.7125 -12.7125 -12.7125 -12.7125 -12.4856 -12.4856 -12.4856 -12.4856 -11.9970 -11.9970 -11.9969 -11.9969 -11.8710 -11.8710 -11.8709 -11.8709 -2.2692 -2.2692 -2.2689 -2.2689 -2.0586 -2.0586 -2.0581 -2.0581 -1.6253 -1.6253 -1.6248 -1.6248 -1.1162 -1.1162 -1.1135 -1.1135 -1.0101 -1.0101 -1.0062 -1.0062 -0.8555 -0.8555 -0.8514 -0.8514 -0.5257 -0.5257 -0.5234 -0.5234 -0.1886 -0.1886 -0.1878 -0.1878 -0.0302 -0.0302 -0.0295 -0.0295 0.4474 0.4474 0.4480 0.4480 0.5975 0.5975 0.5997 0.5997 0.7288 0.7288 0.7302 0.7302 4.5068 4.5068 4.5068 4.5068 4.6751 4.6751 4.6754 4.6754 4.8602 4.8602 4.8609 4.8609 k = 0.5000 0.5920 0.4096 ( 11208 PWs) bands (ev): -12.7125 -12.7125 -12.7125 -12.7125 -12.4856 -12.4856 -12.4856 -12.4856 -11.9970 -11.9970 -11.9970 -11.9970 -11.8710 -11.8710 -11.8710 -11.8710 -2.2687 -2.2687 -2.2687 -2.2687 -2.0577 -2.0577 -2.0577 -2.0577 -1.6256 -1.6256 -1.6256 -1.6256 -1.1092 -1.1092 -1.1092 -1.1092 -1.0106 -1.0106 -1.0106 -1.0106 -0.8580 -0.8580 -0.8580 -0.8580 -0.5234 -0.5234 -0.5234 -0.5234 -0.1884 -0.1884 -0.1884 -0.1884 -0.0306 -0.0306 -0.0306 -0.0306 0.4479 0.4479 0.4479 0.4479 0.5988 0.5988 0.5988 0.5988 0.7292 0.7292 0.7292 0.7292 4.5074 4.5074 4.5074 4.5074 4.6747 4.6747 4.6747 4.6747 4.8605 4.8605 4.8605 4.8605 k = 0.5000 0.5920 0.4096 ( 11208 PWs) bands (ev): -12.7125 -12.7125 -12.7125 -12.7125 -12.4856 -12.4856 -12.4856 -12.4856 -11.9970 -11.9970 -11.9970 -11.9970 -11.8710 -11.8710 -11.8710 -11.8710 -2.2687 -2.2687 -2.2687 -2.2687 -2.0577 -2.0577 -2.0577 -2.0577 -1.6256 -1.6256 -1.6256 -1.6256 -1.1092 -1.1092 -1.1092 -1.1092 -1.0106 -1.0106 -1.0106 -1.0106 -0.8580 -0.8580 -0.8580 -0.8580 -0.5234 -0.5234 -0.5234 -0.5234 -0.1884 -0.1884 -0.1884 -0.1884 -0.0306 -0.0306 -0.0306 -0.0306 0.4479 0.4479 0.4479 0.4479 0.5988 0.5988 0.5988 0.5988 0.7292 0.7292 0.7292 0.7292 4.5074 4.5074 4.5074 4.5074 4.6747 4.6747 4.6747 4.6747 4.8605 4.8605 4.8605 4.8605 k = 0.5000 0.6050 0.3907 ( 11198 PWs) bands (ev): -12.7189 -12.7189 -12.7062 -12.7062 -12.4873 -12.4873 -12.4838 -12.4838 -11.9976 -11.9976 -11.9962 -11.9962 -11.8746 -11.8746 -11.8676 -11.8676 -2.2688 -2.2688 -2.2682 -2.2682 -2.0640 -2.0640 -2.0509 -2.0509 -1.6430 -1.6430 -1.6071 -1.6071 -1.1121 -1.1121 -1.1070 -1.1070 -1.0362 -1.0362 -0.9870 -0.9870 -0.8664 -0.8664 -0.8470 -0.8470 -0.5315 -0.5315 -0.5130 -0.5130 -0.2020 -0.2020 -0.1761 -0.1761 -0.0401 -0.0401 -0.0208 -0.0208 0.4415 0.4415 0.4514 0.4514 0.5887 0.5887 0.6084 0.6084 0.7244 0.7244 0.7323 0.7323 4.5029 4.5029 4.5125 4.5125 4.6606 4.6606 4.6888 4.6888 4.8557 4.8557 4.8676 4.8676 k = 0.5000 0.6181 0.3719 ( 11198 PWs) bands (ev): -12.7255 -12.7255 -12.7000 -12.7000 -12.4890 -12.4890 -12.4819 -12.4819 -11.9978 -11.9978 -11.9950 -11.9950 -11.8785 -11.8785 -11.8645 -11.8645 -2.2687 -2.2687 -2.2674 -2.2674 -2.0698 -2.0698 -2.0435 -2.0435 -1.6589 -1.6589 -1.5879 -1.5879 -1.1160 -1.1160 -1.1058 -1.1058 -1.0619 -1.0619 -0.9685 -0.9685 -0.8694 -0.8694 -0.8351 -0.8351 -0.5369 -0.5369 -0.5008 -0.5008 -0.2166 -0.2166 -0.1652 -0.1652 -0.0490 -0.0490 -0.0111 -0.0111 0.4330 0.4330 0.4512 0.4512 0.5789 0.5789 0.6169 0.6169 0.7181 0.7181 0.7339 0.7339 4.4991 4.4991 4.5181 4.5181 4.6467 4.6467 4.7026 4.7026 4.8533 4.8533 4.8768 4.8768 k = 0.5000 0.6311 0.3530 ( 11192 PWs) bands (ev): -12.7322 -12.7322 -12.6938 -12.6938 -12.4904 -12.4904 -12.4801 -12.4801 -11.9976 -11.9976 -11.9936 -11.9936 -11.8827 -11.8827 -11.8616 -11.8616 -2.2683 -2.2683 -2.2664 -2.2664 -2.0752 -2.0752 -2.0355 -2.0355 -1.6729 -1.6729 -1.5685 -1.5685 -1.1226 -1.1226 -1.1064 -1.1064 -1.0843 -1.0843 -0.9582 -0.9582 -0.8632 -0.8632 -0.8230 -0.8230 -0.5393 -0.5393 -0.4876 -0.4876 -0.2319 -0.2319 -0.1560 -0.1560 -0.0567 -0.0567 -0.0017 -0.0017 0.4227 0.4227 0.4469 0.4469 0.5703 0.5703 0.6237 0.6237 0.7102 0.7102 0.7340 0.7340 4.4961 4.4961 4.5243 4.5243 4.6332 4.6332 4.7158 4.7158 4.8535 4.8535 4.8877 4.8877 k = 0.5000 0.6441 0.3342 ( 11200 PWs) bands (ev): -12.7392 -12.7392 -12.6876 -12.6876 -12.4917 -12.4917 -12.4783 -12.4783 -11.9972 -11.9972 -11.9918 -11.9918 -11.8872 -11.8872 -11.8590 -11.8590 -2.2676 -2.2676 -2.2650 -2.2650 -2.0803 -2.0803 -2.0270 -2.0270 -1.6850 -1.6850 -1.5495 -1.5495 -1.1364 -1.1364 -1.1109 -1.1109 -1.0965 -1.0965 -0.9557 -0.9557 -0.8476 -0.8476 -0.8109 -0.8109 -0.5387 -0.5387 -0.4743 -0.4743 -0.2477 -0.2477 -0.1488 -0.1488 -0.0629 -0.0629 0.0072 0.0072 0.4110 0.4110 0.4381 0.4381 0.5633 0.5633 0.6284 0.6284 0.7010 0.7010 0.7328 0.7328 4.4938 4.4938 4.5309 4.5309 4.6203 4.6203 4.7281 4.7281 4.8565 4.8565 4.9002 4.9002 k = 0.5000 0.6572 0.3153 ( 11198 PWs) bands (ev): -12.7465 -12.7465 -12.6815 -12.6815 -12.4927 -12.4927 -12.4766 -12.4766 -11.9964 -11.9964 -11.9898 -11.9898 -11.8919 -11.8919 -11.8566 -11.8566 -2.2667 -2.2667 -2.2633 -2.2633 -2.0853 -2.0853 -2.0180 -2.0180 -1.6950 -1.6950 -1.5315 -1.5315 -1.1582 -1.1582 -1.1163 -1.1163 -1.1003 -1.1003 -0.9567 -0.9567 -0.8263 -0.8263 -0.7990 -0.7990 -0.5353 -0.5353 -0.4619 -0.4619 -0.2637 -0.2637 -0.1437 -0.1437 -0.0670 -0.0670 0.0153 0.0153 0.3979 0.3979 0.4255 0.4255 0.5579 0.5579 0.6308 0.6308 0.6908 0.6908 0.7304 0.7304 4.4923 4.4923 4.5379 4.5379 4.6079 4.6079 4.7393 4.7393 4.8624 4.8624 4.9141 4.9141 k = 0.5000 0.6702 0.2965 ( 11198 PWs) bands (ev): -12.7540 -12.7540 -12.6752 -12.6752 -12.4934 -12.4934 -12.4750 -12.4750 -11.9953 -11.9953 -11.9875 -11.9875 -11.8970 -11.8970 -11.8544 -11.8544 -2.2655 -2.2655 -2.2613 -2.2613 -2.0901 -2.0901 -2.0086 -2.0086 -1.7029 -1.7029 -1.5154 -1.5154 -1.1823 -1.1823 -1.1206 -1.1206 -1.1025 -1.1025 -0.9573 -0.9573 -0.8024 -0.8024 -0.7870 -0.7870 -0.5290 -0.5290 -0.4515 -0.4515 -0.2798 -0.2798 -0.1407 -0.1407 -0.0686 -0.0686 0.0225 0.0225 0.3829 0.3829 0.4107 0.4107 0.5534 0.5534 0.6306 0.6306 0.6799 0.6799 0.7270 0.7270 4.4916 4.4916 4.5453 4.5453 4.5963 4.5963 4.7491 4.7491 4.8709 4.8709 4.9292 4.9292 k = 0.5000 0.6833 0.2776 ( 11196 PWs) bands (ev): -12.7618 -12.7618 -12.6690 -12.6690 -12.4938 -12.4938 -12.4735 -12.4735 -11.9940 -11.9940 -11.9849 -11.9849 -11.9023 -11.9023 -11.8524 -11.8524 -2.2640 -2.2640 -2.2590 -2.2590 -2.0949 -2.0949 -1.9990 -1.9990 -1.7088 -1.7088 -1.5020 -1.5020 -1.2063 -1.2063 -1.1244 -1.1244 -1.1044 -1.1044 -0.9557 -0.9557 -0.7791 -0.7791 -0.7738 -0.7738 -0.5202 -0.5202 -0.4441 -0.4441 -0.2956 -0.2956 -0.1398 -0.1398 -0.0675 -0.0675 0.0288 0.0288 0.3649 0.3649 0.3961 0.3961 0.5493 0.5493 0.6275 0.6275 0.6690 0.6690 0.7227 0.7227 4.4917 4.4917 4.5526 4.5526 4.5856 4.5856 4.7578 4.7578 4.8818 4.8818 4.9450 4.9450 k = 0.5000 0.6963 0.2588 ( 11206 PWs) bands (ev): -12.7700 -12.7700 -12.6626 -12.6626 -12.4938 -12.4938 -12.4722 -12.4722 -11.9923 -11.9923 -11.9822 -11.9822 -11.9079 -11.9079 -11.8507 -11.8507 -2.2624 -2.2624 -2.2563 -2.2563 -2.0997 -2.0997 -1.9893 -1.9893 -1.7131 -1.7131 -1.4921 -1.4921 -1.2289 -1.2289 -1.1279 -1.1279 -1.1054 -1.1054 -0.9511 -0.9511 -0.7646 -0.7646 -0.7517 -0.7517 -0.5092 -0.5092 -0.4401 -0.4401 -0.3109 -0.3109 -0.1407 -0.1407 -0.0639 -0.0639 0.0339 0.0339 0.3435 0.3435 0.3833 0.3833 0.5448 0.5448 0.6214 0.6214 0.6588 0.6588 0.7176 0.7176 4.4926 4.4926 4.5592 4.5592 4.5768 4.5768 4.7654 4.7654 4.8945 4.8945 4.9615 4.9615 k = 0.5000 0.7093 0.2400 ( 11206 PWs) bands (ev): -12.7785 -12.7785 -12.6562 -12.6562 -12.4935 -12.4935 -12.4710 -12.4710 -11.9903 -11.9903 -11.9792 -11.9792 -11.9137 -11.9137 -11.8490 -11.8490 -2.2606 -2.2606 -2.2532 -2.2532 -2.1043 -2.1043 -1.9798 -1.9798 -1.7160 -1.7160 -1.4865 -1.4865 -1.2496 -1.2496 -1.1313 -1.1313 -1.1046 -1.1046 -0.9433 -0.9433 -0.7527 -0.7527 -0.7276 -0.7276 -0.4964 -0.4964 -0.4399 -0.4399 -0.3254 -0.3254 -0.1435 -0.1435 -0.0578 -0.0578 0.0378 0.0378 0.3192 0.3192 0.3725 0.3725 0.5394 0.5394 0.6126 0.6126 0.6498 0.6498 0.7118 0.7118 4.4943 4.4943 4.5602 4.5602 4.5746 4.5746 4.7722 4.7722 4.9084 4.9084 4.9783 4.9783 k = 0.5000 0.7224 0.2211 ( 11206 PWs) bands (ev): -12.7874 -12.7874 -12.6496 -12.6496 -12.4927 -12.4927 -12.4700 -12.4700 -11.9881 -11.9881 -11.9760 -11.9760 -11.9198 -11.9198 -11.8476 -11.8476 -2.2588 -2.2588 -2.2498 -2.2498 -2.1088 -2.1088 -1.9706 -1.9706 -1.7181 -1.7181 -1.4854 -1.4854 -1.2678 -1.2678 -1.1346 -1.1346 -1.1013 -1.1013 -0.9324 -0.9324 -0.7408 -0.7408 -0.7040 -0.7040 -0.4827 -0.4827 -0.4428 -0.4428 -0.3387 -0.3387 -0.1481 -0.1481 -0.0496 -0.0496 0.0403 0.0403 0.2932 0.2932 0.3635 0.3635 0.5326 0.5326 0.6021 0.6021 0.6419 0.6419 0.7052 0.7052 4.4965 4.4965 4.5540 4.5540 4.5806 4.5806 4.7785 4.7785 4.9231 4.9231 4.9951 4.9951 k = 0.5000 0.7354 0.2023 ( 11202 PWs) bands (ev): -12.7965 -12.7965 -12.6430 -12.6430 -12.4916 -12.4916 -12.4692 -12.4692 -11.9856 -11.9856 -11.9727 -11.9727 -11.9260 -11.9260 -11.8462 -11.8462 -2.2569 -2.2569 -2.2461 -2.2461 -2.1131 -2.1131 -1.9621 -1.9621 -1.7200 -1.7200 -1.4887 -1.4887 -1.2829 -1.2829 -1.1380 -1.1380 -1.0952 -1.0952 -0.9187 -0.9187 -0.7291 -0.7291 -0.6813 -0.6813 -0.4712 -0.4712 -0.4461 -0.4461 -0.3505 -0.3505 -0.1542 -0.1542 -0.0402 -0.0402 0.0414 0.0414 0.2663 0.2663 0.3562 0.3562 0.5242 0.5242 0.5910 0.5910 0.6350 0.6350 0.6978 0.6978 4.4991 4.4991 4.5472 4.5472 4.5885 4.5885 4.7843 4.7843 4.9381 4.9381 5.0117 5.0117 k = 0.5000 0.7354 0.2023 ( 11202 PWs) bands (ev): -12.7965 -12.7965 -12.6430 -12.6430 -12.4916 -12.4916 -12.4692 -12.4692 -11.9856 -11.9856 -11.9727 -11.9727 -11.9260 -11.9260 -11.8462 -11.8462 -2.2569 -2.2569 -2.2461 -2.2461 -2.1131 -2.1131 -1.9621 -1.9621 -1.7200 -1.7200 -1.4887 -1.4887 -1.2829 -1.2829 -1.1380 -1.1380 -1.0952 -1.0952 -0.9187 -0.9187 -0.7291 -0.7291 -0.6813 -0.6813 -0.4712 -0.4712 -0.4461 -0.4461 -0.3505 -0.3505 -0.1542 -0.1542 -0.0402 -0.0402 0.0414 0.0414 0.2663 0.2663 0.3562 0.3562 0.5242 0.5242 0.5910 0.5910 0.6350 0.6350 0.6978 0.6978 4.4991 4.4991 4.5472 4.5472 4.5885 4.5885 4.7843 4.7843 4.9381 4.9381 5.0117 5.0117 k = 0.5000 0.7279 0.1807 ( 11206 PWs) bands (ev): -12.7930 -12.7930 -12.6514 -12.6514 -12.4901 -12.4901 -12.4666 -12.4666 -11.9810 -11.9810 -11.9731 -11.9731 -11.9297 -11.9297 -11.8459 -11.8459 -2.2597 -2.2597 -2.2441 -2.2441 -2.1192 -2.1192 -1.9522 -1.9522 -1.7043 -1.7043 -1.5000 -1.5000 -1.2921 -1.2921 -1.1360 -1.1360 -1.0924 -1.0924 -0.9097 -0.9097 -0.7233 -0.7233 -0.6780 -0.6780 -0.4751 -0.4751 -0.4527 -0.4527 -0.3500 -0.3500 -0.1503 -0.1503 -0.0395 -0.0395 0.0410 0.0410 0.2570 0.2570 0.3549 0.3549 0.5160 0.5160 0.5906 0.5906 0.6309 0.6309 0.6912 0.6912 4.4969 4.4969 4.5486 4.5486 4.5947 4.5947 4.7889 4.7889 4.9467 4.9467 5.0156 5.0156 k = 0.5000 0.7203 0.1591 ( 11206 PWs) bands (ev): -12.7900 -12.7900 -12.6597 -12.6597 -12.4880 -12.4880 -12.4640 -12.4640 -11.9818 -11.9818 -11.9680 -11.9680 -11.9334 -11.9334 -11.8456 -11.8456 -2.2712 -2.2712 -2.2333 -2.2333 -2.1241 -2.1241 -1.9431 -1.9431 -1.6894 -1.6894 -1.5126 -1.5126 -1.3013 -1.3013 -1.1325 -1.1325 -1.0894 -1.0894 -0.9033 -0.9033 -0.7173 -0.7173 -0.6748 -0.6748 -0.4797 -0.4797 -0.4587 -0.4587 -0.3467 -0.3467 -0.1478 -0.1478 -0.0388 -0.0388 0.0406 0.0406 0.2498 0.2498 0.3541 0.3541 0.5064 0.5064 0.5893 0.5893 0.6272 0.6272 0.6849 0.6849 4.4957 4.4957 4.5506 4.5506 4.6010 4.6010 4.7931 4.7931 4.9549 4.9549 5.0190 5.0190 k = 0.5000 0.7128 0.1376 ( 11208 PWs) bands (ev): -12.7876 -12.7876 -12.6679 -12.6679 -12.4855 -12.4855 -12.4614 -12.4614 -11.9842 -11.9842 -11.9613 -11.9613 -11.9369 -11.9369 -11.8454 -11.8454 -2.2815 -2.2815 -2.2232 -2.2232 -2.1277 -2.1277 -1.9349 -1.9349 -1.6756 -1.6756 -1.5263 -1.5263 -1.3097 -1.3097 -1.1280 -1.1280 -1.0864 -1.0864 -0.8989 -0.8989 -0.7116 -0.7116 -0.6716 -0.6716 -0.4849 -0.4849 -0.4643 -0.4643 -0.3407 -0.3407 -0.1464 -0.1464 -0.0386 -0.0386 0.0398 0.0398 0.2452 0.2452 0.3537 0.3537 0.4960 0.4960 0.5864 0.5864 0.6242 0.6242 0.6788 0.6788 4.4953 4.4953 4.5530 4.5530 4.6074 4.6074 4.7967 4.7967 4.9624 4.9624 5.0221 5.0221 k = 0.5000 0.7052 0.1160 ( 11212 PWs) bands (ev): -12.7856 -12.7856 -12.6759 -12.6759 -12.4826 -12.4826 -12.4589 -12.4589 -11.9866 -11.9866 -11.9548 -11.9548 -11.9400 -11.9400 -11.8454 -11.8454 -2.2905 -2.2905 -2.2145 -2.2145 -2.1301 -2.1301 -1.9278 -1.9278 -1.6631 -1.6631 -1.5405 -1.5405 -1.3167 -1.3167 -1.1227 -1.1227 -1.0838 -1.0838 -0.8961 -0.8961 -0.7065 -0.7065 -0.6683 -0.6683 -0.4900 -0.4900 -0.4701 -0.4701 -0.3323 -0.3323 -0.1457 -0.1457 -0.0392 -0.0392 0.0382 0.0382 0.2438 0.2438 0.3537 0.3537 0.4850 0.4850 0.5819 0.5819 0.6221 0.6221 0.6729 0.6729 4.4960 4.4960 4.5559 4.5559 4.6139 4.6139 4.7997 4.7997 4.9694 4.9694 5.0246 5.0246 k = 0.5000 0.6977 0.0945 ( 11220 PWs) bands (ev): -12.7840 -12.7840 -12.6838 -12.6838 -12.4794 -12.4794 -12.4565 -12.4565 -11.9888 -11.9888 -11.9503 -11.9503 -11.9412 -11.9412 -11.8456 -11.8456 -2.2982 -2.2982 -2.2072 -2.2072 -2.1312 -2.1312 -1.9219 -1.9219 -1.6521 -1.6521 -1.5549 -1.5549 -1.3217 -1.3217 -1.1166 -1.1166 -1.0819 -1.0819 -0.8945 -0.8945 -0.7023 -0.7023 -0.6650 -0.6650 -0.4951 -0.4951 -0.4762 -0.4762 -0.3220 -0.3220 -0.1453 -0.1453 -0.0408 -0.0408 0.0358 0.0358 0.2457 0.2457 0.3539 0.3539 0.4737 0.4737 0.5760 0.5760 0.6206 0.6206 0.6668 0.6668 4.4977 4.4977 4.5592 4.5592 4.6204 4.6204 4.8019 4.8019 4.9758 4.9758 5.0267 5.0267 k = 0.5000 0.6901 0.0729 ( 11216 PWs) bands (ev): -12.7827 -12.7827 -12.6915 -12.6915 -12.4759 -12.4759 -12.4542 -12.4542 -11.9907 -11.9907 -11.9508 -11.9508 -11.9374 -11.9374 -11.8459 -11.8459 -2.3045 -2.3045 -2.2016 -2.2016 -2.1308 -2.1308 -1.9175 -1.9175 -1.6428 -1.6428 -1.5690 -1.5690 -1.3242 -1.3242 -1.1102 -1.1102 -1.0807 -1.0807 -0.8937 -0.8937 -0.6992 -0.6992 -0.6614 -0.6614 -0.5008 -0.5008 -0.4818 -0.4818 -0.3101 -0.3101 -0.1452 -0.1452 -0.0433 -0.0433 0.0324 0.0324 0.2507 0.2507 0.3541 0.3541 0.4625 0.4625 0.5692 0.5692 0.6193 0.6193 0.6607 0.6607 4.5003 4.5003 4.5628 4.5628 4.6270 4.6270 4.8033 4.8033 4.9817 4.9817 5.0283 5.0283 k = 0.5000 0.6826 0.0514 ( 11206 PWs) bands (ev): -12.7816 -12.7816 -12.6989 -12.6989 -12.4723 -12.4723 -12.4519 -12.4519 -11.9924 -11.9924 -11.9537 -11.9537 -11.9313 -11.9313 -11.8463 -11.8463 -2.3093 -2.3093 -2.1978 -2.1978 -2.1292 -2.1292 -1.9148 -1.9148 -1.6354 -1.6354 -1.5825 -1.5825 -1.3240 -1.3240 -1.1037 -1.1037 -1.0803 -1.0803 -0.8932 -0.8932 -0.6973 -0.6973 -0.6574 -0.6574 -0.5084 -0.5084 -0.4859 -0.4859 -0.2971 -0.2971 -0.1452 -0.1452 -0.0464 -0.0464 0.0282 0.0282 0.2585 0.2585 0.3543 0.3543 0.4515 0.4515 0.5620 0.5620 0.6180 0.6180 0.6544 0.6544 4.5039 4.5039 4.5666 4.5666 4.6337 4.6337 4.8038 4.8038 4.9869 4.9869 5.0294 5.0294 k = 0.5000 0.6750 0.0298 ( 11220 PWs) bands (ev): -12.7807 -12.7807 -12.7061 -12.7061 -12.4687 -12.4687 -12.4498 -12.4498 -11.9938 -11.9938 -11.9570 -11.9570 -11.9250 -11.9250 -11.8470 -11.8470 -2.3127 -2.3127 -2.1958 -2.1958 -2.1262 -2.1262 -1.9140 -1.9140 -1.6299 -1.6299 -1.5947 -1.5947 -1.3210 -1.3210 -1.0984 -1.0984 -1.0794 -1.0794 -0.8931 -0.8931 -0.6966 -0.6966 -0.6527 -0.6527 -0.5186 -0.5186 -0.4878 -0.4878 -0.2833 -0.2833 -0.1453 -0.1453 -0.0499 -0.0499 0.0234 0.0234 0.2685 0.2685 0.3542 0.3542 0.4411 0.4411 0.5547 0.5547 0.6163 0.6163 0.6478 0.6478 4.5082 4.5082 4.5705 4.5705 4.6405 4.6405 4.8033 4.8033 4.9916 4.9916 5.0301 5.0301 k = 0.5000 0.6675 0.0083 ( 11224 PWs) bands (ev): -12.7799 -12.7799 -12.7130 -12.7130 -12.4650 -12.4650 -12.4478 -12.4478 -11.9949 -11.9949 -11.9604 -11.9604 -11.9187 -11.9187 -11.8478 -11.8478 -2.3146 -2.3146 -2.1957 -2.1957 -2.1220 -2.1220 -1.9154 -1.9154 -1.6261 -1.6261 -1.6054 -1.6054 -1.3154 -1.3154 -1.0970 -1.0970 -1.0754 -1.0754 -0.8933 -0.8933 -0.6967 -0.6967 -0.6472 -0.6472 -0.5310 -0.5310 -0.4882 -0.4882 -0.2693 -0.2693 -0.1455 -0.1455 -0.0535 -0.0535 0.0182 0.0182 0.2799 0.2799 0.3535 0.3535 0.4319 0.4319 0.5477 0.5477 0.6144 0.6144 0.6411 0.6411 4.5134 4.5134 4.5744 4.5744 4.6474 4.6474 4.8017 4.8017 4.9958 4.9958 5.0304 5.0304 k = 0.5000 0.6599-0.0133 ( 11222 PWs) bands (ev): -12.7790 -12.7790 -12.7195 -12.7195 -12.4615 -12.4615 -12.4460 -12.4460 -11.9956 -11.9956 -11.9638 -11.9638 -11.9126 -11.9126 -11.8489 -11.8489 -2.3151 -2.3151 -2.1974 -2.1974 -2.1166 -2.1166 -1.9190 -1.9190 -1.6243 -1.6243 -1.6140 -1.6140 -1.3074 -1.3074 -1.1000 -1.1000 -1.0676 -1.0676 -0.8939 -0.8939 -0.6976 -0.6976 -0.6408 -0.6408 -0.5450 -0.5450 -0.4879 -0.4879 -0.2551 -0.2551 -0.1459 -0.1459 -0.0566 -0.0566 0.0128 0.0128 0.2919 0.2919 0.3522 0.3522 0.4242 0.4242 0.5410 0.5410 0.6120 0.6120 0.6342 0.6342 4.5192 4.5192 4.5780 4.5780 4.6546 4.6546 4.7991 4.7991 4.9996 4.9996 5.0303 5.0303 k = 0.5000 0.6524-0.0349 ( 11218 PWs) bands (ev): -12.7781 -12.7781 -12.7258 -12.7258 -12.4581 -12.4581 -12.4444 -12.4444 -11.9961 -11.9961 -11.9671 -11.9671 -11.9067 -11.9067 -11.8501 -11.8501 -2.3141 -2.3141 -2.2007 -2.2007 -2.1101 -2.1101 -1.9248 -1.9248 -1.6254 -1.6254 -1.6189 -1.6189 -1.2973 -1.2973 -1.1058 -1.1058 -1.0576 -1.0576 -0.8952 -0.8952 -0.6987 -0.6987 -0.6336 -0.6336 -0.5599 -0.5599 -0.4877 -0.4877 -0.2412 -0.2412 -0.1465 -0.1465 -0.0590 -0.0590 0.0072 0.0072 0.3032 0.3032 0.3504 0.3504 0.4187 0.4187 0.5347 0.5347 0.6092 0.6092 0.6273 0.6273 4.5255 4.5255 4.5812 4.5812 4.6621 4.6621 4.7954 4.7954 5.0029 5.0029 5.0298 5.0298 k = 0.5000 0.6448-0.0564 ( 11220 PWs) bands (ev): -12.7771 -12.7771 -12.7317 -12.7317 -12.4549 -12.4549 -12.4430 -12.4430 -11.9962 -11.9962 -11.9703 -11.9703 -11.9011 -11.9011 -11.8516 -11.8516 -2.3117 -2.3117 -2.2055 -2.2055 -2.1024 -2.1024 -1.9328 -1.9328 -1.6292 -1.6292 -1.6201 -1.6201 -1.2858 -1.2858 -1.1134 -1.1134 -1.0462 -1.0462 -0.8973 -0.8973 -0.6998 -0.6998 -0.6262 -0.6262 -0.5745 -0.5745 -0.4882 -0.4882 -0.2279 -0.2279 -0.1473 -0.1473 -0.0603 -0.0603 0.0015 0.0015 0.3126 0.3126 0.3481 0.3481 0.4163 0.4163 0.5288 0.5288 0.6060 0.6060 0.6205 0.6205 4.5322 4.5322 4.5839 4.5839 4.6700 4.6700 4.7907 4.7907 5.0059 5.0059 5.0291 5.0291 k = 0.5000 0.6373-0.0780 ( 11226 PWs) bands (ev): -12.7759 -12.7759 -12.7373 -12.7373 -12.4519 -12.4519 -12.4418 -12.4418 -11.9960 -11.9960 -11.9734 -11.9734 -11.8957 -11.8957 -11.8534 -11.8534 -2.3081 -2.3081 -2.2118 -2.2118 -2.0937 -2.0937 -1.9426 -1.9426 -1.6324 -1.6324 -1.6209 -1.6209 -1.2731 -1.2731 -1.1223 -1.1223 -1.0338 -1.0338 -0.9006 -0.9006 -0.7005 -0.7005 -0.6210 -0.6210 -0.5862 -0.5862 -0.4899 -0.4899 -0.2152 -0.2152 -0.1482 -0.1482 -0.0606 -0.0606 -0.0043 -0.0043 0.3192 0.3192 0.3457 0.3457 0.4176 0.4176 0.5232 0.5232 0.6026 0.6026 0.6141 0.6141 4.5391 4.5391 4.5858 4.5858 4.6782 4.6782 4.7849 4.7849 5.0085 5.0085 5.0282 5.0282 k = 0.5000 0.6297-0.0995 ( 11220 PWs) bands (ev): -12.7744 -12.7744 -12.7425 -12.7425 -12.4493 -12.4493 -12.4409 -12.4409 -11.9955 -11.9955 -11.9764 -11.9764 -11.8906 -11.8906 -11.8554 -11.8554 -2.3032 -2.3032 -2.2191 -2.2191 -2.0839 -2.0839 -1.9540 -1.9540 -1.6343 -1.6343 -1.6220 -1.6220 -1.2598 -1.2598 -1.1322 -1.1322 -1.0206 -1.0206 -0.9052 -0.9052 -0.7005 -0.7005 -0.6240 -0.6240 -0.5885 -0.5885 -0.4932 -0.4932 -0.2036 -0.2036 -0.1494 -0.1494 -0.0596 -0.0596 -0.0102 -0.0102 0.3225 0.3225 0.3432 0.3432 0.4229 0.4229 0.5176 0.5176 0.5991 0.5991 0.6082 0.6082 4.5460 4.5460 4.5867 4.5867 4.6870 4.6870 4.7782 4.7782 5.0109 5.0109 5.0271 5.0271 k = 0.5000 0.6222-0.1211 ( 11218 PWs) bands (ev): -12.7728 -12.7728 -12.7474 -12.7474 -12.4469 -12.4469 -12.4403 -12.4403 -11.9947 -11.9947 -11.9793 -11.9793 -11.8858 -11.8858 -11.8576 -11.8576 -2.2972 -2.2972 -2.2274 -2.2274 -2.0732 -2.0732 -1.9666 -1.9666 -1.6350 -1.6350 -1.6233 -1.6233 -1.2460 -1.2460 -1.1429 -1.1429 -1.0068 -1.0068 -0.9113 -0.9113 -0.6995 -0.6995 -0.6350 -0.6350 -0.5813 -0.5813 -0.4982 -0.4982 -0.1930 -0.1930 -0.1509 -0.1509 -0.0574 -0.0574 -0.0161 -0.0161 0.3235 0.3235 0.3404 0.3404 0.4314 0.4314 0.5116 0.5116 0.5957 0.5957 0.6031 0.6031 4.5529 4.5529 4.5867 4.5867 4.6961 4.6961 4.7707 4.7707 5.0130 5.0130 5.0258 5.0258 k = 0.5000 0.6146-0.1426 ( 11216 PWs) bands (ev): -12.7708 -12.7708 -12.7518 -12.7518 -12.4449 -12.4449 -12.4400 -12.4400 -11.9936 -11.9936 -11.9819 -11.9819 -11.8812 -11.8812 -11.8601 -11.8601 -2.2902 -2.2902 -2.2364 -2.2364 -2.0615 -2.0615 -1.9801 -1.9801 -1.6347 -1.6347 -1.6250 -1.6250 -1.2321 -1.2321 -1.1543 -1.1543 -0.9926 -0.9926 -0.9190 -0.9190 -0.6972 -0.6972 -0.6479 -0.6479 -0.5706 -0.5706 -0.5051 -0.5051 -0.1836 -0.1836 -0.1528 -0.1528 -0.0542 -0.0542 -0.0221 -0.0221 0.3238 0.3238 0.3371 0.3371 0.4422 0.4422 0.5047 0.5047 0.5928 0.5928 0.5988 0.5988 4.5595 4.5595 4.5856 4.5856 4.7055 4.7055 4.7625 4.7625 5.0149 5.0149 5.0245 5.0245 k = 0.5000 0.6071-0.1642 ( 11222 PWs) bands (ev): -12.7685 -12.7685 -12.7559 -12.7559 -12.4432 -12.4432 -12.4400 -12.4400 -11.9923 -11.9923 -11.9844 -11.9844 -11.8770 -11.8770 -11.8629 -11.8629 -2.2823 -2.2823 -2.2457 -2.2457 -2.0490 -2.0490 -1.9940 -1.9940 -1.6337 -1.6337 -1.6267 -1.6267 -1.2183 -1.2183 -1.1662 -1.1662 -0.9784 -0.9784 -0.9283 -0.9283 -0.6934 -0.6934 -0.6603 -0.6603 -0.5587 -0.5587 -0.5136 -0.5136 -0.1755 -0.1755 -0.1553 -0.1553 -0.0501 -0.0501 -0.0282 -0.0282 0.3242 0.3242 0.3336 0.3336 0.4539 0.4539 0.4968 0.4968 0.5910 0.5910 0.5953 0.5953 4.5657 4.5657 4.5834 4.5834 4.7152 4.7152 4.7537 4.7537 5.0167 5.0167 5.0231 5.0231 k = 0.5000 0.5995-0.1858 ( 11212 PWs) bands (ev): -12.7659 -12.7659 -12.7596 -12.7596 -12.4419 -12.4419 -12.4403 -12.4403 -11.9907 -11.9907 -11.9867 -11.9867 -11.8730 -11.8730 -11.8660 -11.8660 -2.2737 -2.2737 -2.2552 -2.2552 -2.0358 -2.0358 -2.0081 -2.0081 -1.6323 -1.6323 -1.6286 -1.6286 -1.2048 -1.2048 -1.1787 -1.1787 -0.9645 -0.9645 -0.9391 -0.9391 -0.6879 -0.6879 -0.6713 -0.6713 -0.5465 -0.5465 -0.5236 -0.5236 -0.1687 -0.1687 -0.1587 -0.1587 -0.0453 -0.0453 -0.0342 -0.0342 0.3254 0.3254 0.3302 0.3302 0.4657 0.4657 0.4875 0.4875 0.5903 0.5903 0.5926 0.5926 4.5713 4.5713 4.5803 4.5803 4.7250 4.7250 4.7444 4.7444 5.0184 5.0184 5.0216 5.0216 k = 0.5000 0.5920-0.2073 ( 11216 PWs) bands (ev): -12.7629 -12.7629 -12.7629 -12.7629 -12.4409 -12.4409 -12.4409 -12.4409 -11.9888 -11.9888 -11.9888 -11.9888 -11.8694 -11.8694 -11.8694 -11.8694 -2.2646 -2.2646 -2.2646 -2.2646 -2.0221 -2.0221 -2.0221 -2.0221 -1.6305 -1.6305 -1.6305 -1.6305 -1.1915 -1.1915 -1.1915 -1.1915 -0.9513 -0.9513 -0.9513 -0.9513 -0.6805 -0.6805 -0.6805 -0.6805 -0.5347 -0.5347 -0.5347 -0.5347 -0.1631 -0.1631 -0.1631 -0.1631 -0.0399 -0.0399 -0.0399 -0.0399 0.3274 0.3274 0.3274 0.3274 0.4771 0.4771 0.4771 0.4771 0.5909 0.5909 0.5909 0.5909 4.5762 4.5762 4.5762 4.5762 4.7348 4.7348 4.7348 4.7348 5.0200 5.0200 5.0200 5.0200 k = 0.5000 0.5920-0.2073 ( 11216 PWs) bands (ev): -12.7629 -12.7629 -12.7629 -12.7629 -12.4409 -12.4409 -12.4409 -12.4409 -11.9888 -11.9888 -11.9888 -11.9888 -11.8694 -11.8694 -11.8694 -11.8694 -2.2646 -2.2646 -2.2646 -2.2646 -2.0221 -2.0221 -2.0221 -2.0221 -1.6305 -1.6305 -1.6305 -1.6305 -1.1915 -1.1915 -1.1915 -1.1915 -0.9513 -0.9513 -0.9513 -0.9513 -0.6805 -0.6805 -0.6805 -0.6805 -0.5347 -0.5347 -0.5347 -0.5347 -0.1631 -0.1631 -0.1631 -0.1631 -0.0399 -0.0399 -0.0399 -0.0399 0.3274 0.3274 0.3274 0.3274 0.4771 0.4771 0.4771 0.4771 0.5909 0.5909 0.5909 0.5909 4.5762 4.5762 4.5762 4.5762 4.7348 4.7348 4.7348 4.7348 5.0200 5.0200 5.0200 5.0200 k = 0.4773 0.5920-0.2073 ( 11216 PWs) bands (ev): -12.7630 -12.7630 -12.7630 -12.7630 -12.4409 -12.4409 -12.4409 -12.4409 -11.9889 -11.9889 -11.9885 -11.9885 -11.8696 -11.8696 -11.8692 -11.8692 -2.2650 -2.2650 -2.2647 -2.2647 -2.0219 -2.0219 -2.0214 -2.0214 -1.6317 -1.6317 -1.6312 -1.6312 -1.1931 -1.1931 -1.1928 -1.1928 -0.9508 -0.9508 -0.9507 -0.9507 -0.6823 -0.6823 -0.6800 -0.6800 -0.5341 -0.5341 -0.5303 -0.5303 -0.1672 -0.1672 -0.1621 -0.1621 -0.0424 -0.0424 -0.0382 -0.0382 0.3290 0.3290 0.3298 0.3298 0.4759 0.4759 0.4787 0.4787 0.5904 0.5904 0.5919 0.5919 4.5755 4.5755 4.5759 4.5759 4.7349 4.7349 4.7351 4.7351 5.0196 5.0196 5.0200 5.0200 k = 0.4545 0.5920-0.2073 ( 11228 PWs) bands (ev): -12.7632 -12.7632 -12.7631 -12.7631 -12.4409 -12.4409 -12.4409 -12.4409 -11.9888 -11.9888 -11.9880 -11.9880 -11.8698 -11.8698 -11.8692 -11.8692 -2.2658 -2.2658 -2.2653 -2.2653 -2.0208 -2.0208 -2.0197 -2.0197 -1.6346 -1.6346 -1.6338 -1.6338 -1.1973 -1.1973 -1.1967 -1.1967 -0.9495 -0.9495 -0.9492 -0.9492 -0.6850 -0.6850 -0.6808 -0.6808 -0.5285 -0.5285 -0.5215 -0.5215 -0.1739 -0.1739 -0.1642 -0.1642 -0.0452 -0.0452 -0.0373 -0.0373 0.3342 0.3342 0.3358 0.3358 0.4753 0.4753 0.4808 0.4808 0.5905 0.5905 0.5934 0.5934 4.5737 4.5737 4.5746 4.5746 4.7354 4.7354 4.7357 4.7357 5.0186 5.0186 5.0196 5.0196 k = 0.4318 0.5920-0.2073 ( 11230 PWs) bands (ev): -12.7635 -12.7635 -12.7633 -12.7633 -12.4410 -12.4410 -12.4409 -12.4409 -11.9884 -11.9884 -11.9873 -11.9873 -11.8701 -11.8701 -11.8691 -11.8691 -2.2671 -2.2671 -2.2663 -2.2663 -2.0187 -2.0187 -2.0171 -2.0171 -1.6394 -1.6394 -1.6381 -1.6381 -1.2036 -1.2036 -1.2027 -1.2027 -0.9478 -0.9478 -0.9474 -0.9474 -0.6879 -0.6879 -0.6826 -0.6826 -0.5185 -0.5185 -0.5090 -0.5090 -0.1829 -0.1829 -0.1696 -0.1696 -0.0478 -0.0478 -0.0371 -0.0371 0.3424 0.3424 0.3448 0.3448 0.4753 0.4753 0.4833 0.4833 0.5912 0.5912 0.5954 0.5954 4.5710 4.5710 4.5722 4.5722 4.7363 4.7363 4.7367 4.7367 5.0173 5.0173 5.0186 5.0186 k = 0.4091 0.5920-0.2073 ( 11220 PWs) bands (ev): -12.7638 -12.7638 -12.7637 -12.7637 -12.4410 -12.4410 -12.4410 -12.4410 -11.9879 -11.9879 -11.9865 -11.9865 -11.8705 -11.8705 -11.8692 -11.8692 -2.2688 -2.2688 -2.2678 -2.2678 -2.0157 -2.0157 -2.0137 -2.0137 -1.6457 -1.6457 -1.6440 -1.6440 -1.2112 -1.2112 -1.2102 -1.2102 -0.9464 -0.9464 -0.9461 -0.9461 -0.6908 -0.6908 -0.6850 -0.6850 -0.5046 -0.5046 -0.4935 -0.4935 -0.1934 -0.1934 -0.1777 -0.1777 -0.0496 -0.0496 -0.0371 -0.0371 0.3527 0.3527 0.3558 0.3558 0.4762 0.4762 0.4863 0.4863 0.5928 0.5928 0.5980 0.5980 4.5674 4.5674 4.5691 4.5691 4.7373 4.7373 4.7378 4.7378 5.0155 5.0155 5.0173 5.0173 k = 0.3864 0.5920-0.2073 ( 11224 PWs) bands (ev): -12.7643 -12.7643 -12.7641 -12.7641 -12.4411 -12.4411 -12.4410 -12.4410 -11.9872 -11.9872 -11.9854 -11.9854 -11.8709 -11.8709 -11.8693 -11.8693 -2.2709 -2.2709 -2.2697 -2.2697 -2.0119 -2.0119 -2.0094 -2.0094 -1.6535 -1.6535 -1.6515 -1.6515 -1.2195 -1.2195 -1.2185 -1.2185 -0.9461 -0.9461 -0.9459 -0.9459 -0.6933 -0.6933 -0.6877 -0.6877 -0.4878 -0.4878 -0.4759 -0.4759 -0.2048 -0.2048 -0.1878 -0.1878 -0.0503 -0.0503 -0.0371 -0.0371 0.3640 0.3640 0.3674 0.3674 0.4781 0.4781 0.4896 0.4896 0.5955 0.5955 0.6014 0.6014 4.5632 4.5632 4.5652 4.5652 4.7385 4.7385 4.7391 4.7391 5.0134 5.0134 5.0155 5.0155 k = 0.3636 0.5920-0.2073 ( 11216 PWs) bands (ev): -12.7648 -12.7648 -12.7645 -12.7645 -12.4411 -12.4411 -12.4410 -12.4410 -11.9862 -11.9862 -11.9842 -11.9842 -11.8713 -11.8713 -11.8694 -11.8694 -2.2734 -2.2734 -2.2721 -2.2721 -2.0074 -2.0074 -2.0045 -2.0045 -1.6626 -1.6626 -1.6602 -1.6602 -1.2278 -1.2278 -1.2268 -1.2268 -0.9473 -0.9473 -0.9471 -0.9471 -0.6957 -0.6957 -0.6905 -0.6905 -0.4688 -0.4688 -0.4569 -0.4569 -0.2160 -0.2160 -0.1989 -0.1989 -0.0498 -0.0498 -0.0366 -0.0366 0.3750 0.3750 0.3784 0.3784 0.4815 0.4815 0.4936 0.4936 0.5995 0.5995 0.6055 0.6055 4.5584 4.5584 4.5607 4.5607 4.7397 4.7397 4.7403 4.7403 5.0110 5.0110 5.0135 5.0135 k = 0.3409 0.5920-0.2073 ( 11216 PWs) bands (ev): -12.7654 -12.7654 -12.7651 -12.7651 -12.4412 -12.4412 -12.4411 -12.4411 -11.9852 -11.9852 -11.9829 -11.9829 -11.8718 -11.8718 -11.8697 -11.8697 -2.2761 -2.2761 -2.2747 -2.2747 -2.0021 -2.0021 -1.9989 -1.9989 -1.6726 -1.6726 -1.6700 -1.6700 -1.2357 -1.2357 -1.2348 -1.2348 -0.9502 -0.9502 -0.9501 -0.9501 -0.6983 -0.6983 -0.6937 -0.6937 -0.4486 -0.4486 -0.4374 -0.4374 -0.2259 -0.2259 -0.2098 -0.2098 -0.0482 -0.0482 -0.0355 -0.0355 0.3848 0.3848 0.3874 0.3874 0.4868 0.4868 0.4982 0.4982 0.6049 0.6049 0.6107 0.6107 4.5533 4.5533 4.5559 4.5559 4.7408 4.7408 4.7415 4.7415 5.0085 5.0085 5.0112 5.0112 k = 0.3182 0.5920-0.2073 ( 11208 PWs) bands (ev): -12.7660 -12.7660 -12.7657 -12.7657 -12.4412 -12.4412 -12.4412 -12.4412 -11.9840 -11.9840 -11.9815 -11.9815 -11.8722 -11.8722 -11.8699 -11.8699 -2.2792 -2.2792 -2.2777 -2.2777 -1.9964 -1.9964 -1.9929 -1.9929 -1.6833 -1.6833 -1.6805 -1.6805 -1.2428 -1.2428 -1.2420 -1.2420 -0.9549 -0.9549 -0.9548 -0.9548 -0.7013 -0.7013 -0.6975 -0.6975 -0.4280 -0.4280 -0.4183 -0.4183 -0.2336 -0.2336 -0.2193 -0.2193 -0.0455 -0.0455 -0.0336 -0.0336 0.3923 0.3923 0.3934 0.3934 0.4942 0.4942 0.5036 0.5036 0.6119 0.6119 0.6170 0.6170 4.5479 4.5479 4.5507 4.5507 4.7417 4.7417 4.7423 4.7423 5.0059 5.0059 5.0087 5.0087 k = 0.2955 0.5920-0.2073 ( 11218 PWs) bands (ev): -12.7667 -12.7667 -12.7664 -12.7664 -12.4413 -12.4413 -12.4412 -12.4412 -11.9827 -11.9827 -11.9800 -11.9800 -11.8727 -11.8727 -11.8702 -11.8702 -2.2825 -2.2825 -2.2810 -2.2810 -1.9902 -1.9902 -1.9864 -1.9864 -1.6945 -1.6945 -1.6914 -1.6914 -1.2488 -1.2488 -1.2482 -1.2482 -0.9613 -0.9613 -0.9611 -0.9611 -0.7053 -0.7053 -0.7021 -0.7021 -0.4080 -0.4080 -0.4006 -0.4006 -0.2378 -0.2378 -0.2264 -0.2264 -0.0418 -0.0418 -0.0308 -0.0308 0.3962 0.3962 0.3970 0.3970 0.5032 0.5032 0.5100 0.5100 0.6204 0.6204 0.6245 0.6245 4.5424 4.5424 4.5454 4.5454 4.7423 4.7423 4.7429 4.7429 5.0032 5.0032 5.0062 5.0062 k = 0.2727 0.5920-0.2073 ( 11220 PWs) bands (ev): -12.7674 -12.7674 -12.7671 -12.7671 -12.4414 -12.4414 -12.4413 -12.4413 -11.9813 -11.9813 -11.9785 -11.9785 -11.8732 -11.8732 -11.8706 -11.8706 -2.2859 -2.2859 -2.2845 -2.2845 -1.9837 -1.9837 -1.9797 -1.9797 -1.7057 -1.7057 -1.7025 -1.7025 -1.2537 -1.2537 -1.2532 -1.2532 -0.9691 -0.9691 -0.9689 -0.9689 -0.7105 -0.7105 -0.7078 -0.7078 -0.3899 -0.3899 -0.3854 -0.3854 -0.2377 -0.2377 -0.2299 -0.2299 -0.0370 -0.0370 -0.0269 -0.0269 0.3959 0.3959 0.3988 0.3988 0.5133 0.5133 0.5171 0.5171 0.6303 0.6303 0.6331 0.6331 4.5370 4.5370 4.5401 4.5401 4.7426 4.7426 4.7431 4.7431 5.0006 5.0006 5.0036 5.0036 k = 0.2500 0.5920-0.2073 ( 11206 PWs) bands (ev): -12.7681 -12.7681 -12.7678 -12.7678 -12.4414 -12.4414 -12.4413 -12.4413 -11.9798 -11.9798 -11.9770 -11.9770 -11.8737 -11.8737 -11.8710 -11.8710 -2.2895 -2.2895 -2.2881 -2.2881 -1.9771 -1.9771 -1.9730 -1.9730 -1.7167 -1.7167 -1.7134 -1.7134 -1.2572 -1.2572 -1.2570 -1.2570 -0.9781 -0.9781 -0.9779 -0.9779 -0.7170 -0.7170 -0.7146 -0.7146 -0.3745 -0.3745 -0.3734 -0.3734 -0.2331 -0.2331 -0.2293 -0.2293 -0.0312 -0.0312 -0.0218 -0.0218 0.3932 0.3932 0.3978 0.3978 0.5236 0.5236 0.5248 0.5248 0.6412 0.6412 0.6427 0.6427 4.5317 4.5317 4.5349 4.5349 4.7425 4.7425 4.7429 4.7429 4.9981 4.9981 5.0011 5.0011 k = 0.2273 0.5920-0.2073 ( 11210 PWs) bands (ev): -12.7688 -12.7688 -12.7685 -12.7685 -12.4415 -12.4415 -12.4414 -12.4414 -11.9784 -11.9784 -11.9755 -11.9755 -11.8741 -11.8741 -11.8714 -11.8714 -2.2931 -2.2931 -2.2917 -2.2917 -1.9705 -1.9705 -1.9664 -1.9664 -1.7272 -1.7272 -1.7239 -1.7239 -1.2595 -1.2595 -1.2595 -1.2595 -0.9881 -0.9881 -0.9880 -0.9880 -0.7246 -0.7246 -0.7225 -0.7225 -0.3645 -0.3645 -0.3626 -0.3626 -0.2244 -0.2244 -0.2243 -0.2243 -0.0241 -0.0241 -0.0155 -0.0155 0.3884 0.3884 0.3943 0.3943 0.5326 0.5326 0.5336 0.5336 0.6527 0.6527 0.6531 0.6531 4.5266 4.5266 4.5299 4.5299 4.7421 4.7421 4.7423 4.7423 4.9958 4.9958 4.9987 4.9987 k = 0.2045 0.5920-0.2073 ( 11194 PWs) bands (ev): -12.7695 -12.7695 -12.7692 -12.7692 -12.4415 -12.4415 -12.4414 -12.4414 -11.9769 -11.9769 -11.9740 -11.9740 -11.8745 -11.8745 -11.8719 -11.8719 -2.2966 -2.2966 -2.2954 -2.2954 -1.9641 -1.9641 -1.9600 -1.9600 -1.7370 -1.7370 -1.7337 -1.7337 -1.2607 -1.2607 -1.2605 -1.2605 -0.9990 -0.9990 -0.9988 -0.9988 -0.7332 -0.7332 -0.7311 -0.7311 -0.3580 -0.3580 -0.3540 -0.3540 -0.2156 -0.2156 -0.2131 -0.2131 -0.0159 -0.0159 -0.0078 -0.0078 0.3821 0.3821 0.3889 0.3889 0.5404 0.5404 0.5429 0.5429 0.6640 0.6640 0.6644 0.6644 4.5219 4.5219 4.5251 4.5251 4.7413 4.7413 4.7414 4.7414 4.9938 4.9938 4.9964 4.9964 k = 0.1818 0.5920-0.2073 ( 11192 PWs) bands (ev): -12.7701 -12.7701 -12.7698 -12.7698 -12.4416 -12.4416 -12.4415 -12.4415 -11.9754 -11.9754 -11.9727 -11.9727 -11.8749 -11.8749 -11.8724 -11.8724 -2.3001 -2.3001 -2.2989 -2.2989 -1.9580 -1.9580 -1.9540 -1.9540 -1.7459 -1.7459 -1.7426 -1.7426 -1.2606 -1.2606 -1.2603 -1.2603 -1.0104 -1.0104 -1.0103 -1.0103 -0.7422 -0.7422 -0.7402 -0.7402 -0.3531 -0.3531 -0.3480 -0.3480 -0.2048 -0.2048 -0.2008 -0.2008 -0.0064 -0.0064 0.0013 0.0013 0.3746 0.3746 0.3818 0.3818 0.5479 0.5479 0.5513 0.5513 0.6748 0.6748 0.6759 0.6759 4.5176 4.5176 4.5207 4.5207 4.7402 4.7402 4.7402 4.7402 4.9920 4.9920 4.9944 4.9944 k = 0.1591 0.5920-0.2073 ( 11214 PWs) bands (ev): -12.7707 -12.7707 -12.7704 -12.7704 -12.4416 -12.4416 -12.4415 -12.4415 -11.9740 -11.9740 -11.9714 -11.9714 -11.8752 -11.8752 -11.8728 -11.8728 -2.3034 -2.3034 -2.3023 -2.3023 -1.9524 -1.9524 -1.9486 -1.9486 -1.7536 -1.7536 -1.7506 -1.7506 -1.2595 -1.2595 -1.2590 -1.2590 -1.0221 -1.0221 -1.0220 -1.0220 -0.7513 -0.7513 -0.7493 -0.7493 -0.3492 -0.3492 -0.3438 -0.3438 -0.1933 -0.1933 -0.1887 -0.1887 0.0043 0.0043 0.0115 0.0115 0.3662 0.3662 0.3736 0.3736 0.5549 0.5549 0.5587 0.5587 0.6853 0.6853 0.6868 0.6868 4.5138 4.5138 4.5167 4.5167 4.7388 4.7388 4.7389 4.7389 4.9904 4.9904 4.9927 4.9927 k = 0.1364 0.5920-0.2073 ( 11220 PWs) bands (ev): -12.7713 -12.7713 -12.7710 -12.7710 -12.4416 -12.4416 -12.4416 -12.4416 -11.9727 -11.9727 -11.9703 -11.9703 -11.8755 -11.8755 -11.8733 -11.8733 -2.3064 -2.3064 -2.3055 -2.3055 -1.9475 -1.9475 -1.9440 -1.9440 -1.7602 -1.7602 -1.7574 -1.7574 -1.2573 -1.2573 -1.2567 -1.2567 -1.0339 -1.0339 -1.0338 -1.0338 -0.7601 -0.7601 -0.7582 -0.7582 -0.3458 -0.3458 -0.3407 -0.3407 -0.1822 -0.1822 -0.1777 -0.1777 0.0158 0.0158 0.0227 0.0227 0.3574 0.3574 0.3646 0.3646 0.5613 0.5613 0.5651 0.5651 0.6951 0.6951 0.6967 0.6967 4.5105 4.5105 4.5131 4.5131 4.7373 4.7373 4.7375 4.7375 4.9892 4.9892 4.9911 4.9911 k = 0.1136 0.5920-0.2073 ( 11218 PWs) bands (ev): -12.7717 -12.7717 -12.7715 -12.7715 -12.4417 -12.4417 -12.4416 -12.4416 -11.9715 -11.9715 -11.9694 -11.9694 -11.8757 -11.8757 -11.8738 -11.8738 -2.3091 -2.3091 -2.3083 -2.3083 -1.9432 -1.9432 -1.9401 -1.9401 -1.7656 -1.7656 -1.7631 -1.7631 -1.2544 -1.2544 -1.2537 -1.2537 -1.0453 -1.0453 -1.0452 -1.0452 -0.7680 -0.7680 -0.7662 -0.7662 -0.3429 -0.3429 -0.3384 -0.3384 -0.1723 -0.1723 -0.1683 -0.1683 0.0278 0.0278 0.0342 0.0342 0.3486 0.3486 0.3553 0.3553 0.5670 0.5670 0.5706 0.5706 0.7039 0.7039 0.7055 0.7055 4.5076 4.5076 4.5099 4.5099 4.7358 4.7358 4.7360 4.7360 4.9882 4.9882 4.9898 4.9898 k = 0.0909 0.5920-0.2073 ( 11222 PWs) bands (ev): -12.7721 -12.7721 -12.7720 -12.7720 -12.4417 -12.4417 -12.4417 -12.4417 -11.9704 -11.9704 -11.9687 -11.9687 -11.8758 -11.8758 -11.8742 -11.8742 -2.3114 -2.3114 -2.3107 -2.3107 -1.9396 -1.9396 -1.9370 -1.9370 -1.7698 -1.7698 -1.7677 -1.7677 -1.2510 -1.2510 -1.2503 -1.2503 -1.0558 -1.0558 -1.0557 -1.0557 -0.7748 -0.7748 -0.7733 -0.7733 -0.3404 -0.3404 -0.3367 -0.3367 -0.1641 -0.1641 -0.1608 -0.1608 0.0395 0.0395 0.0453 0.0453 0.3403 0.3403 0.3463 0.3463 0.5719 0.5719 0.5750 0.5750 0.7115 0.7115 0.7129 0.7129 4.5054 4.5054 4.5073 4.5073 4.7344 4.7344 4.7346 4.7346 4.9875 4.9875 4.9888 4.9888 k = 0.0682 0.5920-0.2073 ( 11222 PWs) bands (ev): -12.7725 -12.7725 -12.7723 -12.7723 -12.4417 -12.4417 -12.4417 -12.4417 -11.9695 -11.9695 -11.9682 -11.9682 -11.8759 -11.8759 -11.8746 -11.8746 -2.3132 -2.3132 -2.3127 -2.3127 -1.9368 -1.9368 -1.9347 -1.9347 -1.7728 -1.7728 -1.7712 -1.7712 -1.2475 -1.2475 -1.2470 -1.2470 -1.0650 -1.0650 -1.0649 -1.0649 -0.7803 -0.7803 -0.7791 -0.7791 -0.3382 -0.3382 -0.3354 -0.3354 -0.1576 -0.1576 -0.1552 -0.1552 0.0503 0.0503 0.0551 0.0551 0.3330 0.3330 0.3379 0.3379 0.5759 0.5759 0.5783 0.5783 0.7176 0.7176 0.7188 0.7188 4.5037 4.5037 4.5052 4.5052 4.7332 4.7332 4.7334 4.7334 4.9869 4.9869 4.9879 4.9879 k = 0.0455 0.5920-0.2073 ( 11224 PWs) bands (ev): -12.7727 -12.7727 -12.7726 -12.7726 -12.4417 -12.4417 -12.4417 -12.4417 -11.9688 -11.9688 -11.9678 -11.9678 -11.8758 -11.8758 -11.8750 -11.8750 -2.3145 -2.3145 -2.3142 -2.3142 -1.9347 -1.9347 -1.9333 -1.9333 -1.7748 -1.7748 -1.7737 -1.7737 -1.2445 -1.2445 -1.2440 -1.2440 -1.0722 -1.0722 -1.0721 -1.0721 -0.7843 -0.7843 -0.7834 -0.7834 -0.3365 -0.3365 -0.3347 -0.3347 -0.1529 -0.1529 -0.1513 -0.1513 0.0592 0.0592 0.0627 0.0627 0.3275 0.3275 0.3310 0.3310 0.5789 0.5789 0.5806 0.5806 0.7222 0.7222 0.7230 0.7230 4.5025 4.5025 4.5036 4.5036 4.7323 4.7323 4.7324 4.7324 4.9866 4.9866 4.9873 4.9873 k = 0.0227 0.5920-0.2073 ( 11226 PWs) bands (ev): -12.7728 -12.7728 -12.7728 -12.7728 -12.4417 -12.4417 -12.4417 -12.4417 -11.9682 -11.9682 -11.9677 -11.9677 -11.8757 -11.8757 -11.8753 -11.8753 -2.3153 -2.3153 -2.3151 -2.3151 -1.9333 -1.9333 -1.9326 -1.9326 -1.7758 -1.7758 -1.7753 -1.7753 -1.2423 -1.2423 -1.2421 -1.2421 -1.0769 -1.0769 -1.0768 -1.0768 -0.7866 -0.7866 -0.7862 -0.7862 -0.3353 -0.3353 -0.3344 -0.3344 -0.1500 -0.1500 -0.1492 -0.1492 0.0654 0.0654 0.0672 0.0672 0.3243 0.3243 0.3261 0.3261 0.5810 0.5810 0.5818 0.5818 0.7250 0.7250 0.7254 0.7254 4.5020 4.5020 4.5025 4.5025 4.7317 4.7317 4.7318 4.7318 4.9865 4.9865 4.9869 4.9869 k = 0.0000 0.5920-0.2073 ( 11218 PWs) bands (ev): -12.7728 -12.7728 -12.7728 -12.7728 -12.4417 -12.4417 -12.4417 -12.4417 -11.9679 -11.9679 -11.9679 -11.9679 -11.8756 -11.8756 -11.8756 -11.8756 -2.3155 -2.3155 -2.3155 -2.3155 -1.9326 -1.9326 -1.9326 -1.9326 -1.7760 -1.7760 -1.7760 -1.7760 -1.2415 -1.2415 -1.2415 -1.2415 -1.0784 -1.0784 -1.0784 -1.0784 -0.7872 -0.7872 -0.7872 -0.7872 -0.3346 -0.3346 -0.3346 -0.3346 -0.1488 -0.1488 -0.1488 -0.1488 0.0681 0.0681 0.0681 0.0681 0.3238 0.3238 0.3238 0.3238 0.5819 0.5819 0.5819 0.5819 0.7261 0.7261 0.7261 0.7261 4.5020 4.5020 4.5020 4.5020 4.7316 4.7316 4.7316 4.7316 4.9866 4.9866 4.9866 4.9866 k = 0.0000 0.5920-0.2073 ( 11218 PWs) bands (ev): -12.7728 -12.7728 -12.7728 -12.7728 -12.4417 -12.4417 -12.4417 -12.4417 -11.9679 -11.9679 -11.9679 -11.9679 -11.8756 -11.8756 -11.8756 -11.8756 -2.3155 -2.3155 -2.3155 -2.3155 -1.9326 -1.9326 -1.9326 -1.9326 -1.7760 -1.7760 -1.7760 -1.7760 -1.2415 -1.2415 -1.2415 -1.2415 -1.0784 -1.0784 -1.0784 -1.0784 -0.7872 -0.7872 -0.7872 -0.7872 -0.3346 -0.3346 -0.3346 -0.3346 -0.1488 -0.1488 -0.1488 -0.1488 0.0681 0.0681 0.0681 0.0681 0.3238 0.3238 0.3238 0.3238 0.5819 0.5819 0.5819 0.5819 0.7261 0.7261 0.7261 0.7261 4.5020 4.5020 4.5020 4.5020 4.7316 4.7316 4.7316 4.7316 4.9866 4.9866 4.9866 4.9866 k = 0.0000 0.5995-0.1858 ( 11226 PWs) bands (ev): -12.7758 -12.7758 -12.7695 -12.7695 -12.4429 -12.4429 -12.4409 -12.4409 -11.9684 -11.9684 -11.9673 -11.9673 -11.8795 -11.8795 -11.8718 -11.8718 -2.3210 -2.3210 -2.3101 -2.3101 -1.9410 -1.9410 -1.9258 -1.9258 -1.7762 -1.7762 -1.7728 -1.7728 -1.2473 -1.2473 -1.2386 -1.2386 -1.0798 -1.0798 -1.0768 -1.0768 -0.8045 -0.8045 -0.7674 -0.7674 -0.3351 -0.3351 -0.3333 -0.3333 -0.1496 -0.1496 -0.1481 -0.1481 0.0647 0.0647 0.0717 0.0717 0.3156 0.3156 0.3324 0.3324 0.5699 0.5699 0.5925 0.5925 0.7248 0.7248 0.7273 0.7273 4.4978 4.4978 4.5058 4.5058 4.7265 4.7265 4.7365 4.7365 4.9845 4.9845 4.9885 4.9885 k = 0.0000 0.6071-0.1642 ( 11225 PWs) bands (ev): -12.7784 -12.7784 -12.7657 -12.7657 -12.4444 -12.4444 -12.4405 -12.4405 -11.9688 -11.9688 -11.9666 -11.9666 -11.8835 -11.8835 -11.8681 -11.8681 -2.3265 -2.3265 -2.3050 -2.3050 -1.9507 -1.9507 -1.9212 -1.9212 -1.7738 -1.7738 -1.7665 -1.7665 -1.2558 -1.2558 -1.2391 -1.2391 -1.0822 -1.0822 -1.0741 -1.0741 -0.8184 -0.8184 -0.7458 -0.7458 -0.3348 -0.3348 -0.3314 -0.3314 -0.1505 -0.1505 -0.1476 -0.1476 0.0614 0.0614 0.0754 0.0754 0.3077 0.3077 0.3413 0.3413 0.5567 0.5567 0.6015 0.6015 0.7232 0.7232 0.7285 0.7285 4.4934 4.4934 4.5092 4.5092 4.7213 4.7213 4.7413 4.7413 4.9823 4.9823 4.9901 4.9901 k = 0.0000 0.6146-0.1426 ( 11228 PWs) bands (ev): -12.7807 -12.7807 -12.7616 -12.7616 -12.4462 -12.4462 -12.4404 -12.4404 -11.9692 -11.9692 -11.9658 -11.9658 -11.8877 -11.8877 -11.8647 -11.8647 -2.3317 -2.3317 -2.3006 -2.3006 -1.9610 -1.9610 -1.9189 -1.9189 -1.7688 -1.7688 -1.7573 -1.7573 -1.2663 -1.2663 -1.2426 -1.2426 -1.0868 -1.0868 -1.0696 -1.0696 -0.8280 -0.8280 -0.7236 -0.7236 -0.3336 -0.3336 -0.3288 -0.3288 -0.1516 -0.1516 -0.1473 -0.1473 0.0584 0.0584 0.0792 0.0792 0.3004 0.3004 0.3504 0.3504 0.5424 0.5424 0.6087 0.6087 0.7214 0.7214 0.7298 0.7298 4.4888 4.4888 4.5122 4.5122 4.7160 4.7160 4.7460 4.7460 4.9800 4.9800 4.9913 4.9913 k = 0.0000 0.6222-0.1211 ( 11220 PWs) bands (ev): -12.7827 -12.7827 -12.7570 -12.7570 -12.4484 -12.4484 -12.4406 -12.4406 -11.9695 -11.9695 -11.9650 -11.9650 -11.8919 -11.8919 -11.8614 -11.8614 -2.3365 -2.3365 -2.2971 -2.2971 -1.9716 -1.9716 -1.9190 -1.9190 -1.7617 -1.7617 -1.7453 -1.7453 -1.2785 -1.2785 -1.2487 -1.2487 -1.0940 -1.0940 -1.0632 -1.0632 -0.8334 -0.8334 -0.7013 -0.7013 -0.3315 -0.3315 -0.3256 -0.3256 -0.1527 -0.1527 -0.1472 -0.1472 0.0557 0.0557 0.0830 0.0830 0.2936 0.2936 0.3596 0.3596 0.5272 0.5272 0.6138 0.6138 0.7194 0.7194 0.7313 0.7313 4.4842 4.4842 4.5147 4.5147 4.7106 4.7106 4.7504 4.7504 4.9778 4.9778 4.9920 4.9920 k = 0.0000 0.6297-0.0995 ( 11221 PWs) bands (ev): -12.7843 -12.7843 -12.7521 -12.7521 -12.4510 -12.4510 -12.4411 -12.4411 -11.9698 -11.9698 -11.9640 -11.9640 -11.8962 -11.8962 -11.8583 -11.8583 -2.3405 -2.3405 -2.2945 -2.2945 -1.9822 -1.9822 -1.9211 -1.9211 -1.7528 -1.7528 -1.7309 -1.7309 -1.2920 -1.2920 -1.2566 -1.2566 -1.1040 -1.1040 -1.0551 -1.0551 -0.8349 -0.8349 -0.6796 -0.6796 -0.3283 -0.3283 -0.3219 -0.3219 -0.1539 -0.1539 -0.1473 -0.1473 0.0533 0.0533 0.0869 0.0869 0.2874 0.2874 0.3687 0.3687 0.5115 0.5115 0.6168 0.6168 0.7174 0.7174 0.7332 0.7332 4.4795 4.4795 4.5167 4.5167 4.7053 4.7053 4.7546 4.7546 4.9755 4.9755 4.9922 4.9922 k = 0.0000 0.6373-0.0780 ( 11216 PWs) bands (ev): -12.7857 -12.7857 -12.7468 -12.7468 -12.4538 -12.4538 -12.4419 -12.4419 -11.9700 -11.9700 -11.9630 -11.9630 -11.9005 -11.9005 -11.8555 -11.8555 -2.3438 -2.3438 -2.2932 -2.2932 -1.9925 -1.9925 -1.9251 -1.9251 -1.7422 -1.7422 -1.7145 -1.7145 -1.3065 -1.3065 -1.2657 -1.2657 -1.1161 -1.1161 -1.0457 -1.0457 -0.8334 -0.8334 -0.6589 -0.6589 -0.3241 -0.3241 -0.3177 -0.3177 -0.1552 -0.1552 -0.1476 -0.1476 0.0512 0.0512 0.0907 0.0907 0.2819 0.2819 0.3777 0.3777 0.4955 0.4955 0.6175 0.6175 0.7155 0.7155 0.7356 0.7356 4.4748 4.4748 4.5182 4.5182 4.7000 4.7000 4.7586 4.7586 4.9734 4.9734 4.9919 4.9919 k = 0.0000 0.6448-0.0564 ( 11218 PWs) bands (ev): -12.7869 -12.7869 -12.7411 -12.7411 -12.4570 -12.4570 -12.4430 -12.4430 -11.9701 -11.9701 -11.9618 -11.9618 -11.9048 -11.9048 -11.8529 -11.8529 -2.3461 -2.3461 -2.2931 -2.2931 -2.0023 -2.0023 -1.9307 -1.9307 -1.7304 -1.7304 -1.6965 -1.6965 -1.3218 -1.3218 -1.2753 -1.2753 -1.1292 -1.1292 -1.0355 -1.0355 -0.8298 -0.8298 -0.6397 -0.6397 -0.3189 -0.3189 -0.3132 -0.3132 -0.1566 -0.1566 -0.1480 -0.1480 0.0495 0.0495 0.0947 0.0947 0.2770 0.2770 0.3861 0.3861 0.4798 0.4798 0.6159 0.6159 0.7138 0.7138 0.7385 0.7385 4.4704 4.4704 4.5190 4.5190 4.6947 4.6947 4.7624 4.7624 4.9712 4.9712 4.9909 4.9909 k = 0.0000 0.6524-0.0349 ( 11218 PWs) bands (ev): -12.7879 -12.7879 -12.7350 -12.7350 -12.4604 -12.4604 -12.4443 -12.4443 -11.9702 -11.9702 -11.9606 -11.9606 -11.9091 -11.9091 -11.8505 -11.8505 -2.3474 -2.3474 -2.2944 -2.2944 -2.0115 -2.0115 -1.9377 -1.9377 -1.7176 -1.7176 -1.6774 -1.6774 -1.3378 -1.3378 -1.2849 -1.2849 -1.1426 -1.1426 -1.0247 -1.0247 -0.8253 -0.8253 -0.6219 -0.6219 -0.3129 -0.3129 -0.3084 -0.3084 -0.1580 -0.1580 -0.1485 -0.1485 0.0481 0.0481 0.0988 0.0988 0.2727 0.2727 0.3936 0.3936 0.4649 0.4649 0.6121 0.6121 0.7124 0.7124 0.7418 0.7418 4.4662 4.4662 4.5193 4.5193 4.6897 4.6897 4.7658 4.7658 4.9690 4.9690 4.9894 4.9894 k = 0.0000 0.6599-0.0133 ( 11217 PWs) bands (ev): -12.7888 -12.7888 -12.7286 -12.7286 -12.4641 -12.4641 -12.4459 -12.4459 -11.9702 -11.9702 -11.9593 -11.9593 -11.9133 -11.9133 -11.8484 -11.8484 -2.3476 -2.3476 -2.2970 -2.2970 -2.0201 -2.0201 -1.9459 -1.9459 -1.7041 -1.7041 -1.6574 -1.6574 -1.3544 -1.3544 -1.2940 -1.2940 -1.1553 -1.1553 -1.0139 -1.0139 -0.8205 -0.8205 -0.6058 -0.6058 -0.3075 -0.3075 -0.3027 -0.3027 -0.1597 -0.1597 -0.1488 -0.1488 0.0470 0.0470 0.1032 0.1032 0.2692 0.2692 0.3990 0.3990 0.4523 0.4523 0.6062 0.6062 0.7117 0.7117 0.7455 0.7455 4.4624 4.4624 4.5190 4.5190 4.6849 4.6849 4.7689 4.7689 4.9666 4.9666 4.9874 4.9874 k = 0.0000 0.6675 0.0083 ( 11207 PWs) bands (ev): -12.7897 -12.7897 -12.7218 -12.7218 -12.4679 -12.4679 -12.4476 -12.4476 -11.9702 -11.9702 -11.9579 -11.9579 -11.9175 -11.9175 -11.8465 -11.8465 -2.3466 -2.3466 -2.3010 -2.3010 -2.0280 -2.0280 -1.9553 -1.9553 -1.6905 -1.6905 -1.6368 -1.6368 -1.3713 -1.3713 -1.3026 -1.3026 -1.1664 -1.1664 -1.0031 -1.0031 -0.8161 -0.8161 -0.5910 -0.5910 -0.3040 -0.3040 -0.2951 -0.2951 -0.1617 -0.1617 -0.1487 -0.1487 0.0462 0.0462 0.1078 0.1078 0.2663 0.2663 0.4001 0.4001 0.4444 0.4444 0.5984 0.5984 0.7116 0.7116 0.7495 0.7495 4.4589 4.4589 4.5180 4.5180 4.6805 4.6805 4.7716 4.7716 4.9637 4.9637 4.9852 4.9852 k = 0.0000 0.6750 0.0298 ( 11204 PWs) bands (ev): -12.7905 -12.7905 -12.7148 -12.7148 -12.4718 -12.4718 -12.4495 -12.4495 -11.9702 -11.9702 -11.9564 -11.9564 -11.9215 -11.9215 -11.8448 -11.8448 -2.3444 -2.3444 -2.3061 -2.3061 -2.0351 -2.0351 -1.9656 -1.9656 -1.6773 -1.6773 -1.6158 -1.6158 -1.3884 -1.3884 -1.3103 -1.3103 -1.1753 -1.1753 -0.9929 -0.9929 -0.8125 -0.8125 -0.5774 -0.5774 -0.3023 -0.3023 -0.2866 -0.2866 -0.1641 -0.1641 -0.1479 -0.1479 0.0456 0.0456 0.1127 0.1127 0.2642 0.2642 0.3952 0.3952 0.4431 0.4431 0.5889 0.5889 0.7123 0.7123 0.7536 0.7536 4.4560 4.4560 4.5164 4.5164 4.6764 4.6764 4.7739 4.7739 4.9601 4.9601 4.9829 4.9829 k = 0.0000 0.6826 0.0514 ( 11198 PWs) bands (ev): -12.7915 -12.7915 -12.7074 -12.7074 -12.4757 -12.4757 -12.4516 -12.4516 -11.9701 -11.9701 -11.9550 -11.9550 -11.9253 -11.9253 -11.8434 -11.8434 -2.3409 -2.3409 -2.3123 -2.3123 -2.0416 -2.0416 -1.9768 -1.9768 -1.6651 -1.6651 -1.5947 -1.5947 -1.4056 -1.4056 -1.3172 -1.3172 -1.1812 -1.1812 -0.9833 -0.9833 -0.8101 -0.8101 -0.5648 -0.5648 -0.3023 -0.3023 -0.2779 -0.2779 -0.1670 -0.1670 -0.1461 -0.1461 0.0451 0.0451 0.1177 0.1177 0.2628 0.2628 0.3865 0.3865 0.4464 0.4464 0.5781 0.5781 0.7138 0.7138 0.7578 0.7578 4.4537 4.4537 4.5142 4.5142 4.6728 4.6728 4.7758 4.7758 4.9556 4.9556 4.9809 4.9809 k = 0.0000 0.6901 0.0729 ( 11195 PWs) bands (ev): -12.7926 -12.7926 -12.6998 -12.6998 -12.4795 -12.4795 -12.4538 -12.4538 -11.9700 -11.9700 -11.9537 -11.9537 -11.9288 -11.9288 -11.8423 -11.8423 -2.3363 -2.3363 -2.3193 -2.3193 -2.0473 -2.0473 -1.9887 -1.9887 -1.6546 -1.6546 -1.5736 -1.5736 -1.4225 -1.4225 -1.3232 -1.3232 -1.1838 -1.1838 -0.9746 -0.9746 -0.8088 -0.8088 -0.5529 -0.5529 -0.3041 -0.3041 -0.2694 -0.2694 -0.1702 -0.1702 -0.1432 -0.1432 0.0448 0.0448 0.1228 0.1228 0.2620 0.2620 0.3769 0.3769 0.4517 0.4517 0.5663 0.5663 0.7162 0.7162 0.7620 0.7620 4.4520 4.4520 4.5114 4.5114 4.6697 4.6697 4.7771 4.7771 4.9498 4.9498 4.9793 4.9793 k = 0.0000 0.6977 0.0945 ( 11195 PWs) bands (ev): -12.7940 -12.7940 -12.6919 -12.6919 -12.4832 -12.4832 -12.4561 -12.4561 -11.9698 -11.9698 -11.9527 -11.9527 -11.9317 -11.9317 -11.8414 -11.8414 -2.3326 -2.3326 -2.3250 -2.3250 -2.0522 -2.0522 -2.0012 -2.0012 -1.6466 -1.6466 -1.5529 -1.5529 -1.4388 -1.4388 -1.3284 -1.3284 -1.1826 -1.1826 -0.9671 -0.9671 -0.8088 -0.8088 -0.5415 -0.5415 -0.3075 -0.3075 -0.2616 -0.2616 -0.1738 -0.1738 -0.1390 -0.1390 0.0445 0.0445 0.1276 0.1276 0.2619 0.2619 0.3681 0.3681 0.4574 0.4574 0.5538 0.5538 0.7194 0.7194 0.7662 0.7662 4.4511 4.4511 4.5082 4.5082 4.6671 4.6671 4.7778 4.7778 4.9428 4.9428 4.9782 4.9782 k = 0.0000 0.7052 0.1160 ( 11183 PWs) bands (ev): -12.7957 -12.7957 -12.6837 -12.6837 -12.4867 -12.4867 -12.4586 -12.4586 -11.9696 -11.9696 -11.9523 -11.9523 -11.9338 -11.9338 -11.8407 -11.8407 -2.3381 -2.3381 -2.3208 -2.3208 -2.0565 -2.0565 -2.0142 -2.0142 -1.6416 -1.6416 -1.5328 -1.5328 -1.4540 -1.4540 -1.3329 -1.3329 -1.1772 -1.1772 -0.9610 -0.9610 -0.8101 -0.8101 -0.5307 -0.5307 -0.3119 -0.3119 -0.2548 -0.2548 -0.1775 -0.1775 -0.1336 -0.1336 0.0441 0.0441 0.1317 0.1317 0.2626 0.2626 0.3608 0.3608 0.4625 0.4625 0.5414 0.5414 0.7235 0.7235 0.7704 0.7704 4.4508 4.4508 4.5045 4.5045 4.6651 4.6651 4.7779 4.7779 4.9347 4.9347 4.9776 4.9776 k = 0.0000 0.7128 0.1376 ( 11189 PWs) bands (ev): -12.7979 -12.7979 -12.6754 -12.6754 -12.4899 -12.4899 -12.4611 -12.4611 -11.9694 -11.9694 -11.9528 -11.9528 -11.9347 -11.9347 -11.8403 -11.8403 -2.3470 -2.3470 -2.3124 -2.3124 -2.0601 -2.0601 -2.0275 -2.0275 -1.6402 -1.6402 -1.5141 -1.5141 -1.4673 -1.4673 -1.3368 -1.3368 -1.1678 -1.1678 -0.9566 -0.9566 -0.8126 -0.8126 -0.5204 -0.5204 -0.3165 -0.3165 -0.2492 -0.2492 -0.1813 -0.1813 -0.1272 -0.1272 0.0437 0.0437 0.1346 0.1346 0.2639 0.2639 0.3553 0.3553 0.4664 0.4664 0.5297 0.5297 0.7284 0.7284 0.7744 0.7744 4.4514 4.4514 4.5005 4.5005 4.6635 4.6635 4.7773 4.7773 4.9258 4.9258 4.9772 4.9772 k = 0.0000 0.7203 0.1591 ( 11184 PWs) bands (ev): -12.8005 -12.8005 -12.6670 -12.6670 -12.4926 -12.4926 -12.4637 -12.4637 -11.9693 -11.9693 -11.9543 -11.9543 -11.9344 -11.9344 -11.8401 -11.8401 -2.3566 -2.3566 -2.3025 -2.3025 -2.0633 -2.0633 -2.0407 -2.0407 -1.6427 -1.6427 -1.4992 -1.4992 -1.4759 -1.4759 -1.3402 -1.3402 -1.1544 -1.1544 -0.9539 -0.9539 -0.8163 -0.8163 -0.5110 -0.5110 -0.3204 -0.3204 -0.2447 -0.2447 -0.1851 -0.1851 -0.1201 -0.1201 0.0430 0.0430 0.1361 0.1361 0.2658 0.2658 0.3517 0.3517 0.4679 0.4679 0.5202 0.5202 0.7339 0.7339 0.7784 0.7784 4.4527 4.4527 4.4963 4.4963 4.6623 4.6623 4.7759 4.7759 4.9160 4.9160 4.9771 4.9771 k = 0.0000 0.7279 0.1807 ( 11190 PWs) bands (ev): -12.8037 -12.8037 -12.6584 -12.6584 -12.4948 -12.4948 -12.4663 -12.4663 -11.9692 -11.9692 -11.9563 -11.9563 -11.9330 -11.9330 -11.8402 -11.8402 -2.3665 -2.3665 -2.2913 -2.2913 -2.0669 -2.0669 -2.0528 -2.0528 -1.6493 -1.6493 -1.4975 -1.4975 -1.4709 -1.4709 -1.3428 -1.3428 -1.1375 -1.1375 -0.9532 -0.9532 -0.8210 -0.8210 -0.5028 -0.5028 -0.3224 -0.3224 -0.2413 -0.2413 -0.1886 -0.1886 -0.1127 -0.1127 0.0421 0.0421 0.1359 0.1359 0.2682 0.2682 0.3499 0.3499 0.4655 0.4655 0.5145 0.5145 0.7401 0.7401 0.7824 0.7824 4.4548 4.4548 4.4922 4.4922 4.6614 4.6614 4.7738 4.7738 4.9057 4.9057 4.9773 4.9773 k = 0.0000 0.7354 0.2023 ( 11191 PWs) bands (ev): -12.8076 -12.8076 -12.6497 -12.6497 -12.4964 -12.4964 -12.4689 -12.4689 -11.9694 -11.9694 -11.9585 -11.9585 -11.9310 -11.9310 -11.8404 -11.8404 -2.3765 -2.3765 -2.2790 -2.2790 -2.0744 -2.0744 -2.0604 -2.0604 -1.6597 -1.6597 -1.5033 -1.5033 -1.4585 -1.4585 -1.3444 -1.3444 -1.1174 -1.1174 -0.9546 -0.9546 -0.8267 -0.8267 -0.4959 -0.4959 -0.3215 -0.3215 -0.2389 -0.2389 -0.1917 -0.1917 -0.1057 -0.1057 0.0408 0.0408 0.1340 0.1340 0.2708 0.2708 0.3496 0.3496 0.4592 0.4592 0.5131 0.5131 0.7469 0.7469 0.7863 0.7863 4.4576 4.4576 4.4881 4.4881 4.6609 4.6609 4.7707 4.7707 4.8951 4.8951 4.9776 4.9776 k = 0.5000 0.4486 0.6169 ( 11202 PWs) bands (ev): -12.7965 -12.7965 -12.6430 -12.6430 -12.4916 -12.4916 -12.4692 -12.4692 -11.9856 -11.9856 -11.9727 -11.9727 -11.9260 -11.9260 -11.8462 -11.8462 -2.2569 -2.2569 -2.2461 -2.2461 -2.1131 -2.1131 -1.9621 -1.9621 -1.7200 -1.7200 -1.4887 -1.4887 -1.2829 -1.2829 -1.1380 -1.1380 -1.0952 -1.0952 -0.9187 -0.9187 -0.7291 -0.7291 -0.6813 -0.6813 -0.4712 -0.4712 -0.4461 -0.4461 -0.3505 -0.3505 -0.1542 -0.1542 -0.0402 -0.0402 0.0414 0.0414 0.2663 0.2663 0.3562 0.3562 0.5242 0.5242 0.5910 0.5910 0.6350 0.6350 0.6978 0.6978 4.4991 4.4991 4.5472 4.5472 4.5885 4.5885 4.7843 4.7843 4.9381 4.9381 5.0117 5.0117 k = 0.5000 0.4261 0.6169 ( 11214 PWs) bands (ev): -12.8108 -12.8108 -12.6271 -12.6271 -12.4912 -12.4912 -12.4708 -12.4708 -11.9895 -11.9895 -11.9661 -11.9661 -11.9295 -11.9295 -11.8453 -11.8453 -2.2666 -2.2666 -2.2282 -2.2282 -2.1115 -2.1115 -1.9628 -1.9628 -1.7385 -1.7385 -1.4859 -1.4859 -1.2883 -1.2883 -1.1428 -1.1428 -1.0886 -1.0886 -0.9119 -0.9119 -0.7216 -0.7216 -0.6599 -0.6599 -0.4654 -0.4654 -0.4354 -0.4354 -0.3591 -0.3591 -0.1667 -0.1667 -0.0291 -0.0291 0.0419 0.0419 0.2448 0.2448 0.3509 0.3509 0.5211 0.5211 0.5776 0.5776 0.6320 0.6320 0.6958 0.6958 4.5032 4.5032 4.5404 4.5404 4.5921 4.5921 4.7854 4.7854 4.9466 4.9466 5.0263 5.0263 k = 0.5000 0.4037 0.6169 ( 11218 PWs) bands (ev): -12.8247 -12.8247 -12.6117 -12.6117 -12.4908 -12.4908 -12.4723 -12.4723 -11.9936 -11.9936 -11.9594 -11.9594 -11.9328 -11.9328 -11.8445 -11.8445 -2.2766 -2.2766 -2.2092 -2.2092 -2.1103 -2.1103 -1.9632 -1.9632 -1.7570 -1.7570 -1.4855 -1.4855 -1.2913 -1.2913 -1.1475 -1.1475 -1.0813 -1.0813 -0.9049 -0.9049 -0.7148 -0.7148 -0.6407 -0.6407 -0.4682 -0.4682 -0.4259 -0.4259 -0.3562 -0.3562 -0.1774 -0.1774 -0.0180 -0.0180 0.0410 0.0410 0.2226 0.2226 0.3473 0.3473 0.5175 0.5175 0.5633 0.5633 0.6284 0.6284 0.6941 0.6941 4.5026 4.5026 4.5391 4.5391 4.5964 4.5964 4.7852 4.7852 4.9557 4.9557 5.0406 5.0406 k = 0.5000 0.3813 0.6169 ( 11206 PWs) bands (ev): -12.8381 -12.8381 -12.5968 -12.5968 -12.4905 -12.4905 -12.4738 -12.4738 -11.9975 -11.9975 -11.9530 -11.9530 -11.9357 -11.9357 -11.8438 -11.8438 -2.2867 -2.2867 -2.1897 -2.1897 -2.1097 -2.1097 -1.9632 -1.9632 -1.7749 -1.7749 -1.4876 -1.4876 -1.2916 -1.2916 -1.1529 -1.1529 -1.0733 -1.0733 -0.8973 -0.8973 -0.7086 -0.7086 -0.6241 -0.6241 -0.4754 -0.4754 -0.4292 -0.4292 -0.3357 -0.3357 -0.1847 -0.1847 -0.0074 -0.0074 0.0386 0.0386 0.2001 0.2001 0.3452 0.3452 0.5129 0.5129 0.5500 0.5500 0.6235 0.6235 0.6927 0.6927 4.4967 4.4967 4.5436 4.5436 4.6012 4.6012 4.7840 4.7840 4.9651 4.9651 5.0546 5.0546 k = 0.5000 0.3588 0.6169 ( 11198 PWs) bands (ev): -12.8510 -12.8510 -12.5825 -12.5825 -12.4901 -12.4901 -12.4751 -12.4751 -12.0012 -12.0012 -11.9480 -11.9480 -11.9373 -11.9373 -11.8432 -11.8432 -2.2973 -2.2973 -2.1699 -2.1699 -2.1095 -2.1095 -1.9628 -1.9628 -1.7912 -1.7912 -1.4917 -1.4917 -1.2894 -1.2894 -1.1593 -1.1593 -1.0649 -1.0649 -0.8886 -0.8886 -0.7029 -0.7029 -0.6103 -0.6103 -0.4861 -0.4861 -0.4412 -0.4412 -0.3040 -0.3040 -0.1878 -0.1878 0.0024 0.0024 0.0343 0.0343 0.1779 0.1779 0.3444 0.3444 0.5066 0.5066 0.5386 0.5386 0.6174 0.6174 0.6912 0.6912 4.4881 4.4881 4.5513 4.5513 4.6065 4.6065 4.7820 4.7820 4.9746 4.9746 5.0682 5.0682 k = 0.5000 0.3364 0.6169 ( 11202 PWs) bands (ev): -12.8633 -12.8633 -12.5688 -12.5688 -12.4897 -12.4897 -12.4763 -12.4763 -12.0046 -12.0046 -11.9470 -11.9470 -11.9350 -11.9350 -11.8427 -11.8427 -2.3083 -2.3083 -2.1507 -2.1507 -2.1092 -2.1092 -1.9618 -1.9618 -1.8053 -1.8053 -1.4976 -1.4976 -1.2853 -1.2853 -1.1665 -1.1665 -1.0561 -1.0561 -0.8787 -0.8787 -0.6977 -0.6977 -0.5990 -0.5990 -0.4997 -0.4997 -0.4571 -0.4571 -0.2682 -0.2682 -0.1860 -0.1860 0.0112 0.0112 0.0282 0.0282 0.1566 0.1566 0.3444 0.3444 0.4984 0.4984 0.5299 0.5299 0.6105 0.6105 0.6895 0.6895 4.4786 4.4786 4.5602 4.5602 4.6122 4.6122 4.7793 4.7793 4.9840 4.9840 5.0812 5.0812 k = 0.5000 0.3140 0.6169 ( 11198 PWs) bands (ev): -12.8750 -12.8750 -12.5558 -12.5558 -12.4894 -12.4894 -12.4774 -12.4774 -12.0078 -12.0078 -11.9489 -11.9489 -11.9297 -11.9297 -11.8424 -11.8424 -2.3198 -2.3198 -2.1341 -2.1341 -2.1069 -2.1069 -1.9598 -1.9598 -1.8167 -1.8167 -1.5052 -1.5052 -1.2805 -1.2805 -1.1738 -1.1738 -1.0470 -1.0470 -0.8675 -0.8675 -0.6928 -0.6928 -0.5906 -0.5906 -0.5152 -0.5152 -0.4749 -0.4749 -0.2321 -0.2321 -0.1791 -0.1791 0.0159 0.0159 0.0240 0.0240 0.1367 0.1367 0.3448 0.3448 0.4889 0.4889 0.5233 0.5233 0.6029 0.6029 0.6875 0.6875 4.4689 4.4689 4.5695 4.5695 4.6182 4.6182 4.7763 4.7763 4.9933 4.9933 5.0938 5.0938 k = 0.5000 0.2916 0.6169 ( 11194 PWs) bands (ev): -12.8861 -12.8861 -12.5436 -12.5436 -12.4890 -12.4890 -12.4784 -12.4784 -12.0107 -12.0107 -11.9516 -11.9516 -11.9238 -11.9238 -11.8423 -11.8423 -2.3319 -2.3319 -2.1256 -2.1256 -2.0977 -2.0977 -1.9567 -1.9567 -1.8248 -1.8248 -1.5143 -1.5143 -1.2766 -1.2766 -1.1798 -1.1798 -1.0376 -1.0376 -0.8553 -0.8553 -0.6881 -0.6881 -0.5864 -0.5864 -0.5306 -0.5306 -0.4934 -0.4934 -0.1996 -0.1996 -0.1670 -0.1670 0.0096 0.0096 0.0300 0.0300 0.1182 0.1182 0.3450 0.3450 0.4796 0.4796 0.5179 0.5179 0.5954 0.5954 0.6850 0.6850 4.4594 4.4594 4.5787 4.5787 4.6246 4.6246 4.7729 4.7729 5.0024 5.0024 5.1057 5.1057 k = 0.5000 0.2691 0.6169 ( 11202 PWs) bands (ev): -12.8965 -12.8965 -12.5323 -12.5323 -12.4887 -12.4887 -12.4792 -12.4792 -12.0132 -12.0132 -11.9545 -11.9545 -11.9179 -11.9179 -11.8423 -11.8423 -2.3446 -2.3446 -2.1247 -2.1247 -2.0824 -2.0824 -1.9519 -1.9519 -1.8295 -1.8295 -1.5247 -1.5247 -1.2764 -1.2764 -1.1819 -1.1819 -1.0278 -1.0278 -0.8425 -0.8425 -0.6838 -0.6838 -0.5900 -0.5900 -0.5428 -0.5428 -0.5106 -0.5106 -0.1751 -0.1751 -0.1496 -0.1496 0.0037 0.0037 0.0379 0.0379 0.1011 0.1011 0.3444 0.3444 0.4710 0.4710 0.5129 0.5129 0.5882 0.5882 0.6820 0.6820 4.4501 4.4501 4.5875 4.5875 4.6311 4.6311 4.7695 4.7695 5.0110 5.0110 5.1169 5.1169 k = 0.5000 0.2467 0.6169 ( 11206 PWs) bands (ev): -12.9062 -12.9062 -12.5218 -12.5218 -12.4884 -12.4884 -12.4798 -12.4798 -12.0155 -12.0155 -11.9573 -11.9573 -11.9121 -11.9121 -11.8425 -11.8425 -2.3576 -2.3576 -2.1264 -2.1264 -2.0665 -2.0665 -1.9449 -1.9449 -1.8308 -1.8308 -1.5363 -1.5363 -1.2820 -1.2820 -1.1782 -1.1782 -1.0175 -1.0175 -0.8293 -0.8293 -0.6802 -0.6802 -0.6033 -0.6033 -0.5530 -0.5530 -0.5213 -0.5213 -0.1593 -0.1593 -0.1320 -0.1320 0.0043 0.0043 0.0461 0.0461 0.0856 0.0856 0.3424 0.3424 0.4637 0.4637 0.5079 0.5079 0.5820 0.5820 0.6786 0.6786 4.4413 4.4413 4.5956 4.5956 4.6378 4.6378 4.7662 4.7662 5.0193 5.0193 5.1274 5.1274 k = 0.5000 0.2243 0.6169 ( 11208 PWs) bands (ev): -12.9151 -12.9151 -12.5124 -12.5124 -12.4880 -12.4880 -12.4802 -12.4802 -12.0174 -12.0174 -11.9600 -11.9600 -11.9066 -11.9066 -11.8428 -11.8428 -2.3709 -2.3709 -2.1290 -2.1290 -2.0523 -2.0523 -1.9350 -1.9350 -1.8290 -1.8290 -1.5491 -1.5491 -1.2934 -1.2934 -1.1684 -1.1684 -1.0066 -1.0066 -0.8166 -0.8166 -0.6783 -0.6783 -0.6218 -0.6218 -0.5677 -0.5677 -0.5213 -0.5213 -0.1533 -0.1533 -0.1173 -0.1173 0.0137 0.0137 0.0539 0.0539 0.0732 0.0732 0.3385 0.3385 0.4577 0.4577 0.5027 0.5027 0.5772 0.5772 0.6748 0.6748 4.4330 4.4330 4.6029 4.6029 4.6445 4.6445 4.7632 4.7632 5.0270 5.0270 5.1371 5.1371 k = 0.5000 0.2019 0.6169 ( 11204 PWs) bands (ev): -12.9233 -12.9233 -12.5041 -12.5041 -12.4877 -12.4877 -12.4802 -12.4802 -12.0191 -12.0191 -11.9625 -11.9625 -11.9012 -11.9012 -11.8434 -11.8434 -2.3840 -2.3840 -2.1318 -2.1318 -2.0408 -2.0408 -1.9219 -1.9219 -1.8243 -1.8243 -1.5630 -1.5630 -1.3093 -1.3093 -1.1539 -1.1539 -0.9951 -0.9951 -0.8051 -0.8051 -0.6815 -0.6815 -0.6387 -0.6387 -0.5845 -0.5845 -0.5150 -0.5150 -0.1598 -0.1598 -0.1015 -0.1015 0.0259 0.0259 0.0547 0.0547 0.0750 0.0750 0.3322 0.3322 0.4529 0.4529 0.4972 0.4972 0.5742 0.5742 0.6705 0.6705 4.4252 4.4252 4.6092 4.6092 4.6511 4.6511 4.7606 4.7606 5.0341 5.0341 5.1461 5.1461 k = 0.5000 0.1794 0.6169 ( 11190 PWs) bands (ev): -12.9307 -12.9307 -12.4974 -12.4974 -12.4873 -12.4873 -12.4796 -12.4796 -12.0205 -12.0205 -11.9649 -11.9649 -11.8961 -11.8961 -11.8441 -11.8441 -2.3967 -2.3967 -2.1345 -2.1345 -2.0320 -2.0320 -1.9057 -1.9057 -1.8171 -1.8171 -1.5779 -1.5779 -1.3278 -1.3278 -1.1362 -1.1362 -0.9829 -0.9829 -0.7959 -0.7959 -0.6952 -0.6952 -0.6469 -0.6469 -0.6004 -0.6004 -0.5060 -0.5060 -0.1752 -0.1752 -0.0839 -0.0839 0.0251 0.0251 0.0586 0.0586 0.0918 0.0918 0.3235 0.3235 0.4491 0.4491 0.4918 0.4918 0.5730 0.5730 0.6659 0.6659 4.4182 4.4182 4.6145 4.6145 4.6573 4.6573 4.7586 4.7586 5.0407 5.0407 5.1542 5.1542 k = 0.5000 0.1570 0.6169 ( 11182 PWs) bands (ev): -12.9373 -12.9373 -12.4928 -12.4928 -12.4868 -12.4868 -12.4779 -12.4779 -12.0216 -12.0216 -11.9671 -11.9671 -11.8913 -11.8913 -11.8451 -11.8451 -2.4088 -2.4088 -2.1371 -2.1371 -2.0257 -2.0257 -1.8871 -1.8871 -1.8080 -1.8080 -1.5937 -1.5937 -1.3479 -1.3479 -1.1162 -1.1162 -0.9698 -0.9698 -0.7904 -0.7904 -0.7173 -0.7173 -0.6476 -0.6476 -0.6135 -0.6135 -0.4952 -0.4952 -0.1952 -0.1952 -0.0658 -0.0658 0.0137 0.0137 0.0691 0.0691 0.1146 0.1146 0.3122 0.3122 0.4458 0.4458 0.4865 0.4865 0.5736 0.5736 0.6610 0.6610 4.4118 4.4118 4.6189 4.6189 4.6629 4.6629 4.7572 4.7572 5.0466 5.0466 5.1614 5.1614 k = 0.5000 0.1346 0.6169 ( 11176 PWs) bands (ev): -12.9430 -12.9430 -12.4904 -12.4904 -12.4863 -12.4863 -12.4748 -12.4748 -12.0225 -12.0225 -11.9691 -11.9691 -11.8868 -11.8868 -11.8462 -11.8462 -2.4198 -2.4198 -2.1394 -2.1394 -2.0213 -2.0213 -1.8666 -1.8666 -1.7974 -1.7974 -1.6105 -1.6105 -1.3683 -1.3683 -1.0946 -1.0946 -0.9560 -0.9560 -0.7903 -0.7903 -0.7420 -0.7420 -0.6458 -0.6458 -0.6227 -0.6227 -0.4832 -0.4832 -0.2173 -0.2173 -0.0482 -0.0482 0.0004 0.0004 0.0804 0.0804 0.1389 0.1389 0.2988 0.2988 0.4426 0.4426 0.4819 0.4819 0.5756 0.5756 0.6559 0.6559 4.4061 4.4061 4.6223 4.6223 4.6679 4.6679 4.7564 4.7564 5.0517 5.0517 5.1677 5.1677 k = 0.5000 0.1121 0.6169 ( 11178 PWs) bands (ev): -12.9479 -12.9479 -12.4895 -12.4895 -12.4858 -12.4858 -12.4712 -12.4712 -12.0231 -12.0231 -11.9708 -11.9708 -11.8826 -11.8826 -11.8474 -11.8474 -2.4297 -2.4297 -2.1413 -2.1413 -2.0182 -2.0182 -1.8449 -1.8449 -1.7861 -1.7861 -1.6282 -1.6282 -1.3883 -1.3883 -1.0719 -1.0719 -0.9414 -0.9414 -0.7972 -0.7972 -0.7659 -0.7659 -0.6432 -0.6432 -0.6278 -0.6278 -0.4701 -0.4701 -0.2400 -0.2400 -0.0321 -0.0321 -0.0124 -0.0124 0.0924 0.0924 0.1617 0.1617 0.2838 0.2838 0.4390 0.4390 0.4783 0.4783 0.5788 0.5788 0.6507 0.6507 4.4013 4.4013 4.6249 4.6249 4.6721 4.6721 4.7561 4.7561 5.0562 5.0562 5.1731 5.1731 k = 0.5000 0.0897 0.6169 ( 11172 PWs) bands (ev): -12.9519 -12.9519 -12.4891 -12.4891 -12.4855 -12.4855 -12.4676 -12.4676 -12.0236 -12.0236 -11.9723 -11.9723 -11.8789 -11.8789 -11.8488 -11.8488 -2.4380 -2.4380 -2.1429 -2.1429 -2.0161 -2.0161 -1.8227 -1.8227 -1.7748 -1.7748 -1.6467 -1.6467 -1.4068 -1.4068 -1.0487 -1.0487 -0.9262 -0.9262 -0.8126 -0.8126 -0.7862 -0.7862 -0.6403 -0.6403 -0.6294 -0.6294 -0.4564 -0.4564 -0.2623 -0.2623 -0.0244 -0.0244 -0.0175 -0.0175 0.1056 0.1056 0.1809 0.1809 0.2682 0.2682 0.4348 0.4348 0.4760 0.4760 0.5827 0.5827 0.6455 0.6455 4.3973 4.3973 4.6268 4.6268 4.6756 4.6756 4.7563 4.7563 5.0599 5.0599 5.1775 5.1775 k = 0.5000 0.0673 0.6169 ( 11172 PWs) bands (ev): -12.9550 -12.9550 -12.4890 -12.4890 -12.4854 -12.4854 -12.4647 -12.4647 -12.0240 -12.0240 -11.9734 -11.9734 -11.8756 -11.8756 -11.8502 -11.8502 -2.4447 -2.4447 -2.1442 -2.1442 -2.0147 -2.0147 -1.8004 -1.8004 -1.7643 -1.7643 -1.6659 -1.6659 -1.4230 -1.4230 -1.0255 -1.0255 -0.9106 -0.9106 -0.8338 -0.8338 -0.8032 -0.8032 -0.6374 -0.6374 -0.6292 -0.6292 -0.4423 -0.4423 -0.2834 -0.2834 -0.0338 -0.0338 -0.0063 -0.0063 0.1202 0.1202 0.1940 0.1940 0.2544 0.2544 0.4304 0.4304 0.4747 0.4747 0.5869 0.5869 0.6406 0.6406 4.3941 4.3941 4.6280 4.6280 4.6782 4.6782 4.7567 4.7567 5.0627 5.0627 5.1810 5.1810 k = 0.5000 0.0449 0.6169 ( 11170 PWs) bands (ev): -12.9573 -12.9573 -12.4889 -12.4889 -12.4853 -12.4853 -12.4626 -12.4626 -12.0242 -12.0242 -11.9743 -11.9743 -11.8730 -11.8730 -11.8515 -11.8515 -2.4496 -2.4496 -2.1451 -2.1451 -2.0138 -2.0138 -1.7784 -1.7784 -1.7557 -1.7557 -1.6854 -1.6854 -1.4356 -1.4356 -1.0036 -1.0036 -0.8954 -0.8954 -0.8549 -0.8549 -0.8197 -0.8197 -0.6348 -0.6348 -0.6283 -0.6283 -0.4291 -0.4291 -0.3018 -0.3018 -0.0411 -0.0411 0.0020 0.0020 0.1363 0.1363 0.1964 0.1964 0.2464 0.2464 0.4264 0.4264 0.4742 0.4742 0.5908 0.5908 0.6364 0.6364 4.3919 4.3919 4.6289 4.6289 4.6800 4.6800 4.7571 4.7571 5.0648 5.0648 5.1835 5.1835 k = 0.5000 0.0224 0.6169 ( 11174 PWs) bands (ev): -12.9586 -12.9586 -12.4889 -12.4889 -12.4852 -12.4852 -12.4613 -12.4613 -12.0243 -12.0243 -11.9748 -11.9748 -11.8712 -11.8712 -11.8524 -11.8524 -2.4525 -2.4525 -2.1456 -2.1456 -2.0133 -2.0133 -1.7582 -1.7582 -1.7499 -1.7499 -1.7043 -1.7043 -1.4438 -1.4438 -0.9858 -0.9858 -0.8866 -0.8866 -0.8659 -0.8659 -0.8360 -0.8360 -0.6331 -0.6331 -0.6274 -0.6274 -0.4187 -0.4187 -0.3154 -0.3154 -0.0457 -0.0457 0.0070 0.0070 0.1534 0.1534 0.1869 0.1869 0.2455 0.2455 0.4235 0.4235 0.4740 0.4740 0.5936 0.5936 0.6333 0.6333 4.3905 4.3905 4.6293 4.6293 4.6811 4.6811 4.7575 4.7575 5.0661 5.0661 5.1850 5.1850 k = 0.5000-0.0000 0.6169 ( 11172 PWs) bands (ev): -12.9591 -12.9591 -12.4889 -12.4889 -12.4852 -12.4852 -12.4608 -12.4608 -12.0244 -12.0244 -11.9750 -11.9750 -11.8705 -11.8705 -11.8528 -11.8528 -2.4535 -2.4535 -2.1458 -2.1458 -2.0132 -2.0132 -1.7489 -1.7489 -1.7456 -1.7456 -1.7154 -1.7154 -1.4466 -1.4466 -0.9783 -0.9783 -0.8890 -0.8890 -0.8601 -0.8601 -0.8473 -0.8473 -0.6325 -0.6325 -0.6270 -0.6270 -0.4146 -0.4146 -0.3207 -0.3207 -0.0472 -0.0472 0.0087 0.0087 0.1682 0.1682 0.1738 0.1738 0.2461 0.2461 0.4225 0.4225 0.4739 0.4739 0.5947 0.5947 0.6322 0.6322 4.3900 4.3900 4.6294 4.6294 4.6815 4.6815 4.7576 4.7576 5.0665 5.0665 5.1855 5.1855 k = 0.5000-0.0000 0.6169 ( 11172 PWs) bands (ev): -12.9591 -12.9591 -12.4889 -12.4889 -12.4852 -12.4852 -12.4608 -12.4608 -12.0244 -12.0244 -11.9750 -11.9750 -11.8705 -11.8705 -11.8528 -11.8528 -2.4535 -2.4535 -2.1458 -2.1458 -2.0132 -2.0132 -1.7489 -1.7489 -1.7456 -1.7456 -1.7154 -1.7154 -1.4466 -1.4466 -0.9783 -0.9783 -0.8890 -0.8890 -0.8601 -0.8601 -0.8473 -0.8473 -0.6325 -0.6325 -0.6270 -0.6270 -0.4146 -0.4146 -0.3207 -0.3207 -0.0472 -0.0472 0.0087 0.0087 0.1682 0.1682 0.1738 0.1738 0.2461 0.2461 0.4225 0.4225 0.4739 0.4739 0.5947 0.5947 0.6322 0.6322 4.3900 4.3900 4.6294 4.6294 4.6815 4.6815 4.7576 4.7576 5.0665 5.0665 5.1855 5.1855 k = 0.5000-0.0000 0.5940 ( 11170 PWs) bands (ev): -12.9595 -12.9595 -12.4888 -12.4888 -12.4849 -12.4849 -12.4608 -12.4608 -12.0255 -12.0255 -11.9738 -11.9738 -11.8705 -11.8705 -11.8527 -11.8527 -2.4538 -2.4538 -2.1450 -2.1450 -2.0139 -2.0139 -1.7501 -1.7501 -1.7452 -1.7452 -1.7173 -1.7173 -1.4459 -1.4459 -0.9837 -0.9837 -0.8864 -0.8864 -0.8636 -0.8636 -0.8405 -0.8405 -0.6326 -0.6326 -0.6255 -0.6255 -0.4200 -0.4200 -0.3140 -0.3140 -0.0470 -0.0470 0.0086 0.0086 0.1674 0.1674 0.1730 0.1730 0.2456 0.2456 0.4223 0.4223 0.4746 0.4746 0.5938 0.5938 0.6345 0.6345 4.3901 4.3901 4.6294 4.6294 4.6814 4.6814 4.7582 4.7582 5.0660 5.0660 5.1847 5.1847 k = 0.5000-0.0000 0.5712 ( 11172 PWs) bands (ev): -12.9607 -12.9607 -12.4885 -12.4885 -12.4839 -12.4839 -12.4606 -12.4606 -12.0288 -12.0288 -11.9707 -11.9707 -11.8705 -11.8705 -11.8526 -11.8526 -2.4547 -2.4547 -2.1426 -2.1426 -2.0159 -2.0159 -1.7532 -1.7532 -1.7447 -1.7447 -1.7225 -1.7225 -1.4438 -1.4438 -0.9968 -0.9968 -0.8883 -0.8883 -0.8581 -0.8581 -0.8295 -0.8295 -0.6329 -0.6329 -0.6209 -0.6209 -0.4329 -0.4329 -0.2975 -0.2975 -0.0463 -0.0463 0.0082 0.0082 0.1627 0.1627 0.1728 0.1728 0.2443 0.2443 0.4217 0.4217 0.4765 0.4765 0.5916 0.5916 0.6408 0.6408 4.3902 4.3902 4.6293 4.6293 4.6810 4.6810 4.7599 4.7599 5.0645 5.0645 5.1824 5.1824 k = 0.5000-0.0000 0.5483 ( 11170 PWs) bands (ev): -12.9627 -12.9627 -12.4883 -12.4883 -12.4821 -12.4821 -12.4604 -12.4604 -12.0335 -12.0335 -11.9663 -11.9663 -11.8705 -11.8705 -11.8522 -11.8522 -2.4561 -2.4561 -2.1387 -2.1387 -2.0193 -2.0193 -1.7578 -1.7578 -1.7467 -1.7467 -1.7284 -1.7284 -1.4407 -1.4407 -1.0130 -1.0130 -0.8968 -0.8968 -0.8434 -0.8434 -0.8174 -0.8174 -0.6332 -0.6332 -0.6136 -0.6136 -0.4481 -0.4481 -0.2759 -0.2759 -0.0451 -0.0451 0.0074 0.0074 0.1531 0.1531 0.1743 0.1743 0.2434 0.2434 0.4207 0.4207 0.4798 0.4798 0.5886 0.5886 0.6498 0.6498 4.3904 4.3904 4.6292 4.6292 4.6804 4.6804 4.7628 4.7628 5.0620 5.0620 5.1786 5.1786 k = 0.5000-0.0000 0.5255 ( 11172 PWs) bands (ev): -12.9653 -12.9653 -12.4881 -12.4881 -12.4794 -12.4794 -12.4601 -12.4601 -12.0391 -12.0391 -11.9610 -11.9610 -11.8704 -11.8704 -11.8518 -11.8518 -2.4580 -2.4580 -2.1334 -2.1334 -2.0242 -2.0242 -1.7638 -1.7638 -1.7553 -1.7553 -1.7301 -1.7301 -1.4367 -1.4367 -1.0300 -1.0300 -0.9060 -0.9060 -0.8307 -0.8307 -0.8019 -0.8019 -0.6338 -0.6338 -0.6040 -0.6040 -0.4626 -0.4626 -0.2522 -0.2522 -0.0435 -0.0435 0.0060 0.0060 0.1397 0.1397 0.1768 0.1768 0.2436 0.2436 0.4193 0.4193 0.4842 0.4842 0.5854 0.5854 0.6605 0.6605 4.3908 4.3908 4.6290 4.6290 4.6796 4.6796 4.7668 4.7668 5.0586 5.0586 5.1733 5.1733 k = 0.5000-0.0000 0.5026 ( 11178 PWs) bands (ev): -12.9687 -12.9687 -12.4880 -12.4880 -12.4761 -12.4761 -12.4597 -12.4597 -12.0453 -12.0453 -11.9552 -11.9552 -11.8703 -11.8703 -11.8513 -11.8513 -2.4604 -2.4604 -2.1267 -2.1267 -2.0304 -2.0304 -1.7723 -1.7723 -1.7686 -1.7686 -1.7277 -1.7277 -1.4323 -1.4323 -1.0463 -1.0463 -0.9148 -0.9148 -0.8242 -0.8242 -0.7815 -0.7815 -0.6345 -0.6345 -0.5935 -0.5935 -0.4741 -0.4741 -0.2281 -0.2281 -0.0414 -0.0414 0.0035 0.0035 0.1238 0.1238 0.1802 0.1802 0.2457 0.2457 0.4175 0.4175 0.4898 0.4898 0.5819 0.5819 0.6721 0.6721 4.3912 4.3912 4.6288 4.6288 4.6786 4.6786 4.7716 4.7716 5.0543 5.0543 5.1665 5.1665 k = 0.5000-0.0000 0.4798 ( 11178 PWs) bands (ev): -12.9726 -12.9726 -12.4879 -12.4879 -12.4721 -12.4721 -12.4592 -12.4592 -12.0518 -12.0518 -11.9492 -11.9492 -11.8701 -11.8701 -11.8506 -11.8506 -2.4632 -2.4632 -2.1188 -2.1188 -2.0383 -2.0383 -1.7888 -1.7888 -1.7774 -1.7774 -1.7235 -1.7235 -1.4279 -1.4279 -1.0612 -1.0612 -0.9227 -0.9227 -0.8226 -0.8226 -0.7589 -0.7589 -0.6353 -0.6353 -0.5848 -0.5848 -0.4800 -0.4800 -0.2049 -0.2049 -0.0387 -0.0387 -0.0006 -0.0006 0.1072 0.1072 0.1845 0.1845 0.2500 0.2500 0.4154 0.4154 0.4962 0.4962 0.5781 0.5781 0.6838 0.6838 4.3918 4.3918 4.6286 4.6286 4.6775 4.6775 4.7773 4.7773 5.0492 5.0492 5.1583 5.1583 k = 0.5000-0.0000 0.4570 ( 11190 PWs) bands (ev): -12.9771 -12.9771 -12.4879 -12.4879 -12.4676 -12.4676 -12.4586 -12.4586 -12.0584 -12.0584 -11.9431 -11.9431 -11.8699 -11.8699 -11.8499 -11.8499 -2.4664 -2.4664 -2.1099 -2.1099 -2.0477 -2.0477 -1.8081 -1.8081 -1.7851 -1.7851 -1.7184 -1.7184 -1.4241 -1.4241 -1.0743 -1.0743 -0.9301 -0.9301 -0.8242 -0.8242 -0.7363 -0.7363 -0.6360 -0.6360 -0.5805 -0.5805 -0.4779 -0.4779 -0.1839 -0.1839 -0.0357 -0.0357 -0.0065 -0.0065 0.0921 0.0921 0.1895 0.1895 0.2570 0.2570 0.4131 0.4131 0.5032 0.5032 0.5742 0.5742 0.6950 0.6950 4.3924 4.3924 4.6285 4.6285 4.6762 4.6762 4.7838 4.7838 5.0433 5.0433 5.1488 5.1488 k = 0.5000-0.0000 0.4341 ( 11188 PWs) bands (ev): -12.9819 -12.9819 -12.4878 -12.4878 -12.4626 -12.4626 -12.4579 -12.4579 -12.0651 -12.0651 -11.9371 -11.9371 -11.8697 -11.8697 -11.8492 -11.8492 -2.4699 -2.4699 -2.1003 -2.1003 -2.0587 -2.0587 -1.8279 -1.8279 -1.7926 -1.7926 -1.7125 -1.7125 -1.4212 -1.4212 -1.0851 -1.0851 -0.9371 -0.9371 -0.8280 -0.8280 -0.7156 -0.7156 -0.6355 -0.6355 -0.5816 -0.5816 -0.4676 -0.4676 -0.1668 -0.1668 -0.0357 -0.0357 -0.0111 -0.0111 0.0805 0.0805 0.1954 0.1954 0.2667 0.2667 0.4108 0.4108 0.5104 0.5104 0.5703 0.5703 0.7054 0.7054 4.3933 4.3933 4.6283 4.6283 4.6749 4.6749 4.7908 4.7908 5.0367 5.0367 5.1381 5.1381 k = 0.5000-0.0000 0.4113 ( 11196 PWs) bands (ev): -12.9871 -12.9871 -12.4878 -12.4878 -12.4578 -12.4578 -12.4566 -12.4566 -12.0718 -12.0718 -11.9311 -11.9311 -11.8693 -11.8693 -11.8484 -11.8484 -2.4737 -2.4737 -2.0910 -2.0910 -2.0706 -2.0706 -1.8475 -1.8475 -1.7994 -1.7994 -1.7061 -1.7061 -1.4196 -1.4196 -1.0935 -1.0935 -0.9441 -0.9441 -0.8331 -0.8331 -0.6998 -0.6998 -0.6318 -0.6318 -0.5864 -0.5864 -0.4515 -0.4515 -0.1547 -0.1547 -0.0453 -0.0453 -0.0070 -0.0070 0.0731 0.0731 0.2020 0.2020 0.2793 0.2793 0.4086 0.4086 0.5174 0.5174 0.5665 0.5665 0.7145 0.7145 4.3942 4.3942 4.6281 4.6281 4.6735 4.6735 4.7982 4.7982 5.0295 5.0295 5.1263 5.1263 k = 0.5000-0.0000 0.3884 ( 11202 PWs) bands (ev): -12.9925 -12.9925 -12.4878 -12.4878 -12.4565 -12.4565 -12.4516 -12.4516 -12.0784 -12.0784 -11.9253 -11.9253 -11.8689 -11.8689 -11.8475 -11.8475 -2.4778 -2.4778 -2.0911 -2.0911 -2.0746 -2.0746 -1.8661 -1.8661 -1.8052 -1.8052 -1.6993 -1.6993 -1.4196 -1.4196 -1.0992 -1.0992 -0.9514 -0.9514 -0.8389 -0.8389 -0.6920 -0.6920 -0.6226 -0.6226 -0.5925 -0.5925 -0.4324 -0.4324 -0.1480 -0.1480 -0.0616 -0.0616 0.0041 0.0041 0.0697 0.0697 0.2094 0.2094 0.2949 0.2949 0.4067 0.4067 0.5234 0.5234 0.5634 0.5634 0.7223 0.7223 4.3953 4.3953 4.6279 4.6279 4.6721 4.6721 4.8061 4.8061 5.0219 5.0219 5.1135 5.1135 k = 0.5000-0.0000 0.3656 ( 11206 PWs) bands (ev): -12.9981 -12.9981 -12.4878 -12.4878 -12.4556 -12.4556 -12.4459 -12.4459 -12.0848 -12.0848 -11.9197 -11.9197 -11.8685 -11.8685 -11.8467 -11.8467 -2.4820 -2.4820 -2.1059 -2.1059 -2.0657 -2.0657 -1.8831 -1.8831 -1.8096 -1.8096 -1.6922 -1.6922 -1.4214 -1.4214 -1.1022 -1.1022 -0.9593 -0.9593 -0.8446 -0.8446 -0.6925 -0.6925 -0.6083 -0.6083 -0.5983 -0.5983 -0.4123 -0.4123 -0.1463 -0.1463 -0.0796 -0.0796 0.0179 0.0179 0.0695 0.0695 0.2174 0.2174 0.3132 0.3132 0.4054 0.4054 0.5273 0.5273 0.5620 0.5620 0.7284 0.7284 4.3966 4.3966 4.6276 4.6276 4.6707 4.6707 4.8141 4.8141 5.0139 5.0139 5.0998 5.0998 k = 0.5000-0.0000 0.3427 ( 11214 PWs) bands (ev): -13.0038 -13.0038 -12.4878 -12.4878 -12.4547 -12.4547 -12.4401 -12.4401 -12.0911 -12.0911 -11.9143 -11.9143 -11.8680 -11.8680 -11.8459 -11.8459 -2.4863 -2.4863 -2.1239 -2.1239 -2.0555 -2.0555 -1.8985 -1.8985 -1.8120 -1.8120 -1.6849 -1.6849 -1.4249 -1.4249 -1.1027 -1.1027 -0.9682 -0.9682 -0.8500 -0.8500 -0.6992 -0.6992 -0.6048 -0.6048 -0.5900 -0.5900 -0.3923 -0.3923 -0.1486 -0.1486 -0.0969 -0.0969 0.0320 0.0320 0.0722 0.0722 0.2261 0.2261 0.3338 0.3338 0.4052 0.4052 0.5279 0.5279 0.5634 0.5634 0.7329 0.7329 4.3980 4.3980 4.6271 4.6271 4.6693 4.6693 4.8222 4.8222 5.0057 5.0057 5.0855 5.0855 k = 0.5000-0.0000 0.3199 ( 11226 PWs) bands (ev): -13.0094 -13.0094 -12.4878 -12.4878 -12.4537 -12.4537 -12.4344 -12.4344 -12.0972 -12.0972 -11.9092 -11.9092 -11.8674 -11.8674 -11.8450 -11.8450 -2.4908 -2.4908 -2.1434 -2.1434 -2.0459 -2.0459 -1.9119 -1.9119 -1.8121 -1.8121 -1.6774 -1.6774 -1.4302 -1.4302 -1.1008 -1.1008 -0.9780 -0.9780 -0.8545 -0.8545 -0.7099 -0.7099 -0.6089 -0.6089 -0.5730 -0.5730 -0.3732 -0.3732 -0.1538 -0.1538 -0.1121 -0.1121 0.0443 0.0443 0.0781 0.0781 0.2354 0.2354 0.3554 0.3554 0.4070 0.4070 0.5254 0.5254 0.5673 0.5673 0.7357 0.7357 4.3995 4.3995 4.6265 4.6265 4.6681 4.6681 4.8303 4.8303 4.9973 4.9973 5.0706 5.0706 k = 0.5000-0.0000 0.2970 ( 11230 PWs) bands (ev): -13.0150 -13.0150 -12.4878 -12.4878 -12.4527 -12.4527 -12.4287 -12.4287 -12.1030 -12.1030 -11.9043 -11.9043 -11.8668 -11.8668 -11.8442 -11.8442 -2.4952 -2.4952 -2.1638 -2.1638 -2.0373 -2.0373 -1.9236 -1.9236 -1.8095 -1.8095 -1.6699 -1.6699 -1.4368 -1.4368 -1.0970 -1.0970 -0.9889 -0.9889 -0.8582 -0.8582 -0.7239 -0.7239 -0.6119 -0.6119 -0.5571 -0.5571 -0.3556 -0.3556 -0.1606 -0.1606 -0.1245 -0.1245 0.0532 0.0532 0.0872 0.0872 0.2451 0.2451 0.3749 0.3749 0.4134 0.4134 0.5208 0.5208 0.5726 0.5726 0.7369 0.7369 4.4012 4.4012 4.6257 4.6257 4.6670 4.6670 4.8383 4.8383 4.9890 4.9890 5.0554 5.0554 k = 0.5000-0.0000 0.2742 ( 11228 PWs) bands (ev): -13.0204 -13.0204 -12.4878 -12.4878 -12.4517 -12.4517 -12.4232 -12.4232 -12.1086 -12.1086 -11.8997 -11.8997 -11.8661 -11.8661 -11.8434 -11.8434 -2.4996 -2.4996 -2.1846 -2.1846 -2.0300 -2.0300 -1.9336 -1.9336 -1.8040 -1.8040 -1.6625 -1.6625 -1.4447 -1.4447 -1.0916 -1.0916 -1.0006 -1.0006 -0.8610 -0.8610 -0.7404 -0.7404 -0.6136 -0.6136 -0.5433 -0.5433 -0.3398 -0.3398 -0.1678 -0.1678 -0.1341 -0.1341 0.0594 0.0594 0.0983 0.0983 0.2551 0.2551 0.3876 0.3876 0.4286 0.4286 0.5154 0.5154 0.5783 0.5783 0.7366 0.7366 4.4029 4.4029 4.6247 4.6247 4.6659 4.6659 4.8459 4.8459 4.9808 4.9808 5.0402 5.0402 k = 0.5000-0.0000 0.2513 ( 11240 PWs) bands (ev): -13.0256 -13.0256 -12.4879 -12.4879 -12.4507 -12.4507 -12.4180 -12.4180 -12.1138 -12.1138 -11.8954 -11.8954 -11.8654 -11.8654 -11.8426 -11.8426 -2.5040 -2.5040 -2.2052 -2.2052 -2.0243 -2.0243 -1.9421 -1.9421 -1.7955 -1.7955 -1.6551 -1.6551 -1.4535 -1.4535 -1.0851 -1.0851 -1.0128 -1.0128 -0.8631 -0.8631 -0.7588 -0.7588 -0.6142 -0.6142 -0.5319 -0.5319 -0.3259 -0.3259 -0.1747 -0.1747 -0.1405 -0.1405 0.0638 0.0638 0.1100 0.1100 0.2654 0.2654 0.3943 0.3943 0.4507 0.4507 0.5097 0.5097 0.5841 0.5841 0.7348 0.7348 4.4048 4.4048 4.6236 4.6236 4.6650 4.6650 4.8530 4.8530 4.9728 4.9728 5.0252 5.0252 k = 0.5000-0.0000 0.2285 ( 11242 PWs) bands (ev): -13.0305 -13.0305 -12.4879 -12.4879 -12.4498 -12.4498 -12.4130 -12.4130 -12.1187 -12.1187 -11.8914 -11.8914 -11.8648 -11.8648 -11.8419 -11.8419 -2.5082 -2.5082 -2.2252 -2.2252 -2.0201 -2.0201 -1.9494 -1.9494 -1.7841 -1.7841 -1.6480 -1.6480 -1.4630 -1.4630 -1.0780 -1.0780 -1.0253 -1.0253 -0.8649 -0.8649 -0.7785 -0.7785 -0.6138 -0.6138 -0.5231 -0.5231 -0.3142 -0.3142 -0.1815 -0.1815 -0.1433 -0.1433 0.0673 0.0673 0.1211 0.1211 0.2758 0.2758 0.3990 0.3990 0.4735 0.4735 0.5056 0.5056 0.5899 0.5899 0.7318 0.7318 4.4067 4.4067 4.6223 4.6223 4.6641 4.6641 4.8596 4.8596 4.9653 4.9653 5.0108 5.0108 k = 0.5000-0.0000 0.2056 ( 11250 PWs) bands (ev): -13.0351 -13.0351 -12.4879 -12.4879 -12.4488 -12.4488 -12.4084 -12.4084 -12.1232 -12.1232 -11.8878 -11.8878 -11.8641 -11.8641 -11.8412 -11.8412 -2.5122 -2.5122 -2.2443 -2.2443 -2.0173 -2.0173 -1.9555 -1.9555 -1.7703 -1.7703 -1.6412 -1.6412 -1.4730 -1.4730 -1.0706 -1.0706 -1.0376 -1.0376 -0.8670 -0.8670 -0.7982 -0.7982 -0.6125 -0.6125 -0.5169 -0.5169 -0.3045 -0.3045 -0.1884 -0.1884 -0.1422 -0.1422 0.0701 0.0701 0.1312 0.1312 0.2861 0.2861 0.4037 0.4037 0.4862 0.4862 0.5110 0.5110 0.5957 0.5957 0.7277 0.7277 4.4086 4.4086 4.6210 4.6210 4.6633 4.6633 4.8653 4.8653 4.9582 4.9582 4.9971 4.9971 k = 0.5000-0.0000 0.1828 ( 11240 PWs) bands (ev): -13.0393 -13.0393 -12.4879 -12.4879 -12.4479 -12.4479 -12.4041 -12.4041 -12.1274 -12.1274 -11.8845 -11.8845 -11.8635 -11.8635 -11.8406 -11.8406 -2.5160 -2.5160 -2.2621 -2.2621 -2.0156 -2.0156 -1.9607 -1.9607 -1.7543 -1.7543 -1.6347 -1.6347 -1.4833 -1.4833 -1.0638 -1.0638 -1.0489 -1.0489 -0.8706 -0.8706 -0.8163 -0.8163 -0.6106 -0.6106 -0.5129 -0.5129 -0.2969 -0.2969 -0.1953 -0.1953 -0.1376 -0.1376 0.0721 0.0721 0.1402 0.1402 0.2962 0.2962 0.4086 0.4086 0.4843 0.4843 0.5293 0.5293 0.6021 0.6021 0.7229 0.7229 4.4105 4.4105 4.6195 4.6195 4.6625 4.6625 4.8700 4.8700 4.9517 4.9517 4.9847 4.9847 k = 0.5000-0.0000 0.1599 ( 11244 PWs) bands (ev): -13.0431 -13.0431 -12.4880 -12.4880 -12.4471 -12.4471 -12.4003 -12.4003 -12.1311 -12.1311 -11.8816 -11.8816 -11.8629 -11.8629 -11.8400 -11.8400 -2.5195 -2.5195 -2.2783 -2.2783 -2.0147 -2.0147 -1.9651 -1.9651 -1.7369 -1.7369 -1.6288 -1.6288 -1.4938 -1.4938 -1.0638 -1.0638 -1.0533 -1.0533 -0.8776 -0.8776 -0.8302 -0.8302 -0.6082 -0.6082 -0.5107 -0.5107 -0.2911 -0.2911 -0.2020 -0.2020 -0.1304 -0.1304 0.0733 0.0733 0.1480 0.1480 0.3059 0.3059 0.4140 0.4140 0.4793 0.4793 0.5472 0.5472 0.6098 0.6098 0.7175 0.7175 4.4124 4.4124 4.6182 4.6182 4.6618 4.6618 4.8735 4.8735 4.9459 4.9459 4.9738 4.9738 k = 0.5000-0.0000 0.1371 ( 11240 PWs) bands (ev): -13.0465 -13.0465 -12.4880 -12.4880 -12.4463 -12.4463 -12.3969 -12.3969 -12.1343 -12.1343 -11.8790 -11.8790 -11.8623 -11.8623 -11.8395 -11.8395 -2.5226 -2.5226 -2.2928 -2.2928 -2.0143 -2.0143 -1.9687 -1.9687 -1.7186 -1.7186 -1.6234 -1.6234 -1.5045 -1.5045 -1.0729 -1.0729 -1.0484 -1.0484 -0.8892 -0.8892 -0.8381 -0.8381 -0.6056 -0.6056 -0.5098 -0.5098 -0.2870 -0.2870 -0.2080 -0.2080 -0.1213 -0.1213 0.0739 0.0739 0.1547 0.1547 0.3149 0.3149 0.4196 0.4196 0.4740 0.4740 0.5609 0.5609 0.6196 0.6196 0.7118 0.7118 4.4141 4.4141 4.6168 4.6168 4.6611 4.6611 4.8757 4.8757 4.9408 4.9408 4.9648 4.9648 k = 0.5000-0.0000 0.1142 ( 11238 PWs) bands (ev): -13.0494 -13.0494 -12.4880 -12.4880 -12.4456 -12.4456 -12.3940 -12.3940 -12.1372 -12.1372 -11.8768 -11.8768 -11.8619 -11.8619 -11.8391 -11.8391 -2.5254 -2.5254 -2.3053 -2.3053 -2.0144 -2.0144 -1.9716 -1.9716 -1.7000 -1.7000 -1.6187 -1.6187 -1.5152 -1.5152 -1.0820 -1.0820 -1.0436 -1.0436 -0.9031 -0.9031 -0.8415 -0.8415 -0.6031 -0.6031 -0.5099 -0.5099 -0.2842 -0.2842 -0.2134 -0.2134 -0.1115 -0.1115 0.0737 0.0737 0.1602 0.1602 0.3231 0.3231 0.4253 0.4253 0.4691 0.4691 0.5697 0.5697 0.6312 0.6312 0.7063 0.7063 4.4157 4.4157 4.6156 4.6156 4.6604 4.6604 4.8765 4.8765 4.9364 4.9364 4.9578 4.9578 k = 0.5000-0.0000 0.0914 ( 11242 PWs) bands (ev): -13.0518 -13.0518 -12.4881 -12.4881 -12.4451 -12.4451 -12.3915 -12.3915 -12.1395 -12.1395 -11.8750 -11.8750 -11.8615 -11.8615 -11.8387 -11.8387 -2.5277 -2.5277 -2.3157 -2.3157 -2.0146 -2.0146 -1.9740 -1.9740 -1.6817 -1.6817 -1.6148 -1.6148 -1.5258 -1.5258 -1.0898 -1.0898 -1.0399 -1.0399 -0.9166 -0.9166 -0.8426 -0.8426 -0.6007 -0.6007 -0.5105 -0.5105 -0.2826 -0.2826 -0.2178 -0.2178 -0.1018 -0.1018 0.0729 0.0729 0.1646 0.1646 0.3302 0.3302 0.4308 0.4308 0.4648 0.4648 0.5748 0.5748 0.6430 0.6430 0.7011 0.7011 4.4171 4.4171 4.6146 4.6146 4.6599 4.6599 4.8762 4.8762 4.9329 4.9329 4.9528 4.9528 k = 0.5000-0.0000 0.0685 ( 11234 PWs) bands (ev): -13.0537 -13.0537 -12.4881 -12.4881 -12.4446 -12.4446 -12.3897 -12.3897 -12.1413 -12.1413 -11.8735 -11.8735 -11.8613 -11.8613 -11.8384 -11.8384 -2.5295 -2.5295 -2.3240 -2.3240 -2.0148 -2.0148 -1.9758 -1.9758 -1.6645 -1.6645 -1.6119 -1.6119 -1.5361 -1.5361 -1.0962 -1.0962 -1.0377 -1.0377 -0.9277 -0.9277 -0.8428 -0.8428 -0.5987 -0.5987 -0.5114 -0.5114 -0.2816 -0.2816 -0.2213 -0.2213 -0.0931 -0.0931 0.0717 0.0717 0.1680 0.1680 0.3360 0.3360 0.4358 0.4358 0.4611 0.4611 0.5776 0.5776 0.6535 0.6535 0.6966 0.6966 4.4182 4.4182 4.6137 4.6137 4.6594 4.6594 4.8751 4.8751 4.9301 4.9301 4.9495 4.9495 k = 0.5000-0.0000 0.0457 ( 11250 PWs) bands (ev): -13.0551 -13.0551 -12.4881 -12.4881 -12.4443 -12.4443 -12.3883 -12.3883 -12.1426 -12.1426 -11.8725 -11.8725 -11.8611 -11.8611 -11.8382 -11.8382 -2.5308 -2.5308 -2.3299 -2.3299 -2.0151 -2.0151 -1.9770 -1.9770 -1.6494 -1.6494 -1.6102 -1.6102 -1.5454 -1.5454 -1.1008 -1.1008 -1.0366 -1.0366 -0.9358 -0.9358 -0.8426 -0.8426 -0.5971 -0.5971 -0.5121 -0.5121 -0.2812 -0.2812 -0.2238 -0.2238 -0.0861 -0.0861 0.0705 0.0705 0.1704 0.1704 0.3403 0.3403 0.4399 0.4399 0.4580 0.4580 0.5790 0.5790 0.6617 0.6617 0.6931 0.6931 4.4190 4.4190 4.6131 4.6131 4.6590 4.6590 4.8739 4.8739 4.9282 4.9282 4.9475 4.9475 k = 0.5000-0.0000 0.0228 ( 11242 PWs) bands (ev): -13.0559 -13.0559 -12.4881 -12.4881 -12.4441 -12.4441 -12.3875 -12.3875 -12.1434 -12.1434 -11.8718 -11.8718 -11.8610 -11.8610 -11.8380 -11.8380 -2.5316 -2.5316 -2.3335 -2.3335 -2.0153 -2.0153 -1.9778 -1.9778 -1.6382 -1.6382 -1.6097 -1.6097 -1.5524 -1.5524 -1.1037 -1.1037 -1.0363 -1.0363 -0.9405 -0.9405 -0.8423 -0.8423 -0.5962 -0.5962 -0.5127 -0.5127 -0.2811 -0.2811 -0.2252 -0.2252 -0.0816 -0.0816 0.0695 0.0695 0.1718 0.1718 0.3430 0.3430 0.4430 0.4430 0.4558 0.4558 0.5796 0.5796 0.6669 0.6669 0.6909 0.6909 4.4195 4.4195 4.6127 4.6127 4.6588 4.6588 4.8729 4.8729 4.9270 4.9270 4.9466 4.9466 k = 0.5000-0.0000-0.0000 ( 11240 PWs) bands (ev): -13.0562 -13.0562 -12.4881 -12.4881 -12.4440 -12.4440 -12.3872 -12.3872 -12.1437 -12.1437 -11.8716 -11.8716 -11.8609 -11.8609 -11.8380 -11.8380 -2.5319 -2.5319 -2.3347 -2.3347 -2.0153 -2.0153 -1.9780 -1.9780 -1.6338 -1.6338 -1.6098 -1.6098 -1.5551 -1.5551 -1.1046 -1.1046 -1.0363 -1.0363 -0.9421 -0.9421 -0.8422 -0.8422 -0.5958 -0.5958 -0.5129 -0.5129 -0.2810 -0.2810 -0.2257 -0.2257 -0.0800 -0.0800 0.0692 0.0692 0.1723 0.1723 0.3439 0.3439 0.4442 0.4442 0.4549 0.4549 0.5798 0.5798 0.6686 0.6686 0.6901 0.6901 4.4197 4.4197 4.6126 4.6126 4.6587 4.6587 4.8725 4.8725 4.9266 4.9266 4.9463 4.9463 k = 0.0000 0.0000 0.6169 ( 11196 PWs) bands (ev): -12.9771 -12.9771 -12.4941 -12.4941 -12.4910 -12.4910 -12.4462 -12.4462 -11.9941 -11.9941 -11.9512 -11.9512 -11.9119 -11.9119 -11.8431 -11.8431 -2.4994 -2.4994 -2.1018 -2.1018 -2.0791 -2.0791 -1.7316 -1.7316 -1.6735 -1.6735 -1.6677 -1.6677 -1.5491 -1.5491 -1.3012 -1.3012 -1.1600 -1.1600 -1.1434 -1.1434 -1.0123 -1.0123 -0.4055 -0.4055 -0.3421 -0.3421 -0.0988 -0.0988 -0.0867 -0.0867 -0.0048 -0.0048 0.0189 0.0189 0.0506 0.0506 0.1599 0.1599 0.4494 0.4494 0.4839 0.4839 0.5191 0.5191 0.6498 0.6498 0.6707 0.6707 4.5507 4.5507 4.5563 4.5563 4.5929 4.5929 4.7430 4.7430 4.8429 4.8429 5.1417 5.1417 k = 0.0227-0.0000 0.6169 ( 11198 PWs) bands (ev): -12.9770 -12.9770 -12.4941 -12.4941 -12.4910 -12.4910 -12.4463 -12.4463 -11.9940 -11.9940 -11.9520 -11.9520 -11.9113 -11.9113 -11.8432 -11.8432 -2.4992 -2.4992 -2.1016 -2.1016 -2.0792 -2.0792 -1.7315 -1.7315 -1.6748 -1.6748 -1.6667 -1.6667 -1.5494 -1.5494 -1.3005 -1.3005 -1.1602 -1.1602 -1.1420 -1.1420 -1.0099 -1.0099 -0.4050 -0.4050 -0.3444 -0.3444 -0.1001 -0.1001 -0.0866 -0.0866 -0.0123 -0.0123 0.0201 0.0201 0.0566 0.0566 0.1602 0.1602 0.4448 0.4448 0.4841 0.4841 0.5220 0.5220 0.6482 0.6482 0.6709 0.6709 4.5470 4.5470 4.5585 4.5585 4.5938 4.5938 4.7432 4.7432 4.8443 4.8443 5.1421 5.1421 k = 0.0455-0.0000 0.6169 ( 11198 PWs) bands (ev): -12.9768 -12.9768 -12.4940 -12.4940 -12.4910 -12.4910 -12.4465 -12.4465 -11.9937 -11.9937 -11.9542 -11.9542 -11.9096 -11.9096 -11.8433 -11.8433 -2.4985 -2.4985 -2.1012 -2.1012 -2.0793 -2.0793 -1.7312 -1.7312 -1.6781 -1.6781 -1.6639 -1.6639 -1.5505 -1.5505 -1.2981 -1.2981 -1.1604 -1.1604 -1.1379 -1.1379 -1.0031 -1.0031 -0.4036 -0.4036 -0.3514 -0.3514 -0.1040 -0.1040 -0.0867 -0.0867 -0.0271 -0.0271 0.0199 0.0199 0.0712 0.0712 0.1612 0.1612 0.4336 0.4336 0.4837 0.4837 0.5293 0.5293 0.6438 0.6438 0.6713 0.6713 4.5401 4.5401 4.5617 4.5617 4.5962 4.5962 4.7435 4.7435 4.8485 4.8485 5.1434 5.1434 k = 0.0682-0.0000 0.6169 ( 11192 PWs) bands (ev): -12.9763 -12.9763 -12.4939 -12.4939 -12.4908 -12.4908 -12.4468 -12.4468 -11.9933 -11.9933 -11.9574 -11.9574 -11.9071 -11.9071 -11.8435 -11.8435 -2.4974 -2.4974 -2.1008 -2.1008 -2.0793 -2.0793 -1.7308 -1.7308 -1.6830 -1.6830 -1.6595 -1.6595 -1.5529 -1.5529 -1.2934 -1.2934 -1.1601 -1.1601 -1.1317 -1.1317 -0.9922 -0.9922 -0.4014 -0.4014 -0.3625 -0.3625 -0.1111 -0.1111 -0.0875 -0.0875 -0.0429 -0.0429 0.0176 0.0176 0.0893 0.0893 0.1627 0.1627 0.4191 0.4191 0.4818 0.4818 0.5388 0.5388 0.6371 0.6371 0.6713 0.6713 4.5315 4.5315 4.5648 4.5648 4.5996 4.5996 4.7440 4.7440 4.8553 4.8553 5.1454 5.1454 k = 0.0909-0.0000 0.6169 ( 11190 PWs) bands (ev): -12.9757 -12.9757 -12.4937 -12.4937 -12.4907 -12.4907 -12.4473 -12.4473 -11.9927 -11.9927 -11.9614 -11.9614 -11.9042 -11.9042 -11.8438 -11.8438 -2.4958 -2.4958 -2.1008 -2.1008 -2.0787 -2.0787 -1.7303 -1.7303 -1.6889 -1.6889 -1.6536 -1.6536 -1.5573 -1.5573 -1.2858 -1.2858 -1.1589 -1.1589 -1.1238 -1.1238 -0.9783 -0.9783 -0.3982 -0.3982 -0.3771 -0.3771 -0.1225 -0.1225 -0.0895 -0.0895 -0.0573 -0.0573 0.0141 0.0141 0.1085 0.1085 0.1648 0.1648 0.4032 0.4032 0.4784 0.4784 0.5487 0.5487 0.6285 0.6285 0.6709 0.6709 4.5218 4.5218 4.5682 4.5682 4.6034 4.6034 4.7448 4.7448 4.8643 4.8643 5.1481 5.1481 k = 0.1136-0.0000 0.6169 ( 11192 PWs) bands (ev): -12.9750 -12.9750 -12.4935 -12.4935 -12.4905 -12.4905 -12.4478 -12.4478 -11.9919 -11.9919 -11.9658 -11.9658 -11.9011 -11.9011 -11.8442 -11.8442 -2.4939 -2.4939 -2.1015 -2.1015 -2.0772 -2.0772 -1.7296 -1.7296 -1.6954 -1.6954 -1.6463 -1.6463 -1.5638 -1.5638 -1.2748 -1.2748 -1.1567 -1.1567 -1.1143 -1.1143 -0.9620 -0.9620 -0.3977 -0.3977 -0.3909 -0.3909 -0.1390 -0.1390 -0.0931 -0.0931 -0.0694 -0.0694 0.0102 0.0102 0.1273 0.1273 0.1677 0.1677 0.3870 0.3870 0.4736 0.4736 0.5582 0.5582 0.6183 0.6183 0.6699 0.6699 4.5113 4.5113 4.5719 4.5719 4.6074 4.6074 4.7457 4.7457 4.8752 4.8752 5.1514 5.1514 k = 0.1364-0.0000 0.6169 ( 11188 PWs) bands (ev): -12.9741 -12.9741 -12.4933 -12.4933 -12.4902 -12.4902 -12.4485 -12.4485 -11.9910 -11.9910 -11.9706 -11.9706 -11.8979 -11.8979 -11.8446 -11.8446 -2.4916 -2.4916 -2.1031 -2.1031 -2.0746 -2.0746 -1.7288 -1.7288 -1.7020 -1.7020 -1.6381 -1.6381 -1.5722 -1.5722 -1.2602 -1.2602 -1.1532 -1.1532 -1.1033 -1.1033 -0.9443 -0.9443 -0.4158 -0.4158 -0.3872 -0.3872 -0.1601 -0.1601 -0.0991 -0.0991 -0.0796 -0.0796 0.0067 0.0067 0.1441 0.1441 0.1726 0.1726 0.3713 0.3713 0.4673 0.4673 0.5668 0.5668 0.6068 0.6068 0.6684 0.6684 4.5004 4.5004 4.5760 4.5760 4.6115 4.6115 4.7468 4.7468 4.8876 4.8876 5.1551 5.1551 k = 0.1591-0.0000 0.6169 ( 11190 PWs) bands (ev): -12.9731 -12.9731 -12.4930 -12.4930 -12.4900 -12.4900 -12.4492 -12.4492 -11.9900 -11.9900 -11.9755 -11.9755 -11.8948 -11.8948 -11.8451 -11.8451 -2.4891 -2.4891 -2.1056 -2.1056 -2.0710 -2.0710 -1.7279 -1.7279 -1.7085 -1.7085 -1.6299 -1.6299 -1.5812 -1.5812 -1.2423 -1.2423 -1.1485 -1.1485 -1.0908 -1.0908 -0.9260 -0.9260 -0.4374 -0.4374 -0.3805 -0.3805 -0.1847 -0.1847 -0.1085 -0.1085 -0.0884 -0.0884 0.0039 0.0039 0.1555 0.1555 0.1817 0.1817 0.3571 0.3571 0.4596 0.4596 0.5741 0.5741 0.5943 0.5943 0.6664 0.6664 4.4892 4.4892 4.5804 4.5804 4.6159 4.6159 4.7481 4.7481 4.9012 4.9012 5.1591 5.1591 k = 0.1818-0.0000 0.6169 ( 11190 PWs) bands (ev): -12.9720 -12.9720 -12.4927 -12.4927 -12.4896 -12.4896 -12.4501 -12.4501 -11.9889 -11.9889 -11.9804 -11.9804 -11.8918 -11.8918 -11.8456 -11.8456 -2.4862 -2.4862 -2.1087 -2.1087 -2.0667 -2.0667 -1.7270 -1.7270 -1.7146 -1.7146 -1.6247 -1.6247 -1.5875 -1.5875 -1.2216 -1.2216 -1.1425 -1.1425 -1.0769 -1.0769 -0.9076 -0.9076 -0.4602 -0.4602 -0.3725 -0.3725 -0.2120 -0.2120 -0.1215 -0.1215 -0.0968 -0.0968 0.0025 0.0025 0.1612 0.1612 0.1947 0.1947 0.3452 0.3452 0.4503 0.4503 0.5775 0.5775 0.5841 0.5841 0.6640 0.6640 4.4781 4.4781 4.5852 4.5852 4.6204 4.6204 4.7494 4.7494 4.9155 4.9155 5.1632 5.1632 k = 0.2045-0.0000 0.6169 ( 11188 PWs) bands (ev): -12.9708 -12.9708 -12.4924 -12.4924 -12.4893 -12.4893 -12.4510 -12.4510 -11.9881 -11.9881 -11.9850 -11.9850 -11.8889 -11.8889 -11.8463 -11.8463 -2.4832 -2.4832 -2.1122 -2.1122 -2.0617 -2.0617 -1.7262 -1.7262 -1.7199 -1.7199 -1.6277 -1.6277 -1.5854 -1.5854 -1.1985 -1.1985 -1.1352 -1.1352 -1.0614 -1.0614 -0.8900 -0.8900 -0.4838 -0.4838 -0.3632 -0.3632 -0.2411 -0.2411 -0.1379 -0.1379 -0.1055 -0.1055 0.0025 0.0025 0.1640 0.1640 0.2077 0.2077 0.3366 0.3366 0.4393 0.4393 0.5661 0.5661 0.5872 0.5872 0.6613 0.6613 4.4672 4.4672 4.5901 4.5901 4.6251 4.6251 4.7508 4.7508 4.9304 4.9304 5.1673 5.1673 k = 0.2273-0.0000 0.6169 ( 11180 PWs) bands (ev): -12.9695 -12.9695 -12.4920 -12.4920 -12.4889 -12.4889 -12.4520 -12.4520 -11.9909 -11.9909 -11.9858 -11.9858 -11.8862 -11.8862 -11.8469 -11.8469 -2.4800 -2.4800 -2.1160 -2.1160 -2.0565 -2.0565 -1.7268 -1.7268 -1.7233 -1.7233 -1.6380 -1.6380 -1.5757 -1.5757 -1.1736 -1.1736 -1.1263 -1.1263 -1.0446 -1.0446 -0.8735 -0.8735 -0.5076 -0.5076 -0.3532 -0.3532 -0.2715 -0.2715 -0.1573 -0.1573 -0.1148 -0.1148 0.0039 0.0039 0.1655 0.1655 0.2179 0.2179 0.3326 0.3326 0.4263 0.4263 0.5527 0.5527 0.5912 0.5912 0.6585 0.6585 4.4567 4.4567 4.5950 4.5950 4.6302 4.6302 4.7521 4.7521 4.9456 4.9456 5.1712 5.1712 k = 0.2500-0.0000 0.6169 ( 11182 PWs) bands (ev): -12.9682 -12.9682 -12.4917 -12.4917 -12.4885 -12.4885 -12.4530 -12.4530 -11.9955 -11.9955 -11.9846 -11.9846 -11.8837 -11.8837 -11.8476 -11.8476 -2.4768 -2.4768 -2.1199 -2.1199 -2.0510 -2.0510 -1.7305 -1.7305 -1.7230 -1.7230 -1.6510 -1.6510 -1.5627 -1.5627 -1.1478 -1.1478 -1.1157 -1.1157 -1.0265 -1.0265 -0.8586 -0.8586 -0.5314 -0.5314 -0.3437 -0.3437 -0.3016 -0.3016 -0.1793 -0.1793 -0.1243 -0.1243 0.0063 0.0063 0.1663 0.1663 0.2239 0.2239 0.3337 0.3337 0.4113 0.4113 0.5399 0.5399 0.5944 0.5944 0.6554 0.6554 4.4467 4.4467 4.5999 4.5999 4.6354 4.6354 4.7534 4.7534 4.9607 4.9607 5.1748 5.1748 k = 0.2727-0.0000 0.6169 ( 11192 PWs) bands (ev): -12.9670 -12.9670 -12.4913 -12.4913 -12.4881 -12.4881 -12.4540 -12.4540 -11.9999 -11.9999 -11.9833 -11.9833 -11.8814 -11.8814 -11.8483 -11.8483 -2.4735 -2.4735 -2.1238 -2.1238 -2.0456 -2.0456 -1.7343 -1.7343 -1.7221 -1.7221 -1.6647 -1.6647 -1.5482 -1.5482 -1.1225 -1.1225 -1.1021 -1.1021 -1.0072 -1.0072 -0.8457 -0.8457 -0.5548 -0.5548 -0.3464 -0.3464 -0.3202 -0.3202 -0.2034 -0.2034 -0.1329 -0.1329 0.0094 0.0094 0.1666 0.1666 0.2258 0.2258 0.3396 0.3396 0.3944 0.3944 0.5279 0.5279 0.5967 0.5967 0.6524 0.6524 4.4373 4.4373 4.6046 4.6046 4.6410 4.6410 4.7546 4.7546 4.9756 4.9756 5.1780 5.1780 k = 0.2955-0.0000 0.6169 ( 11192 PWs) bands (ev): -12.9657 -12.9657 -12.4909 -12.4909 -12.4877 -12.4877 -12.4550 -12.4550 -12.0042 -12.0042 -11.9820 -11.9820 -11.8793 -11.8793 -11.8489 -11.8489 -2.4703 -2.4703 -2.1276 -2.1276 -2.0402 -2.0402 -1.7376 -1.7376 -1.7210 -1.7210 -1.6782 -1.6782 -1.5333 -1.5333 -1.1014 -1.1014 -1.0824 -1.0824 -0.9870 -0.9870 -0.8350 -0.8350 -0.5774 -0.5774 -0.3740 -0.3740 -0.3153 -0.3153 -0.2292 -0.2292 -0.1396 -0.1396 0.0128 0.0128 0.1666 0.1666 0.2247 0.2247 0.3483 0.3483 0.3763 0.3763 0.5172 0.5172 0.5982 0.5982 0.6493 0.6493 4.4286 4.4286 4.6090 4.6090 4.6466 4.6466 4.7556 4.7556 4.9901 4.9901 5.1806 5.1806 k = 0.3182-0.0000 0.6169 ( 11186 PWs) bands (ev): -12.9645 -12.9645 -12.4906 -12.4906 -12.4873 -12.4873 -12.4560 -12.4560 -12.0082 -12.0082 -11.9807 -11.9807 -11.8775 -11.8775 -11.8496 -11.8496 -2.4672 -2.4672 -2.1311 -2.1311 -2.0351 -2.0351 -1.7405 -1.7405 -1.7200 -1.7200 -1.6910 -1.6910 -1.5183 -1.5183 -1.0848 -1.0848 -1.0568 -1.0568 -0.9661 -0.9661 -0.8267 -0.8267 -0.5988 -0.5988 -0.4060 -0.4060 -0.3088 -0.3088 -0.2554 -0.2554 -0.1427 -0.1427 0.0163 0.0163 0.1662 0.1662 0.2218 0.2218 0.3503 0.3503 0.3652 0.3652 0.5078 0.5078 0.5989 0.5989 0.6463 0.6463 4.4207 4.4207 4.6130 4.6130 4.6524 4.6524 4.7564 4.7564 5.0040 5.0040 5.1828 5.1828 k = 0.3409-0.0000 0.6169 ( 11178 PWs) bands (ev): -12.9633 -12.9633 -12.4902 -12.4902 -12.4869 -12.4869 -12.4570 -12.4570 -12.0118 -12.0118 -11.9795 -11.9795 -11.8759 -11.8759 -11.8503 -11.8503 -2.4643 -2.4643 -2.1344 -2.1344 -2.0303 -2.0303 -1.7428 -1.7428 -1.7191 -1.7191 -1.7028 -1.7028 -1.5038 -1.5038 -1.0690 -1.0690 -1.0294 -1.0294 -0.9452 -0.9452 -0.8209 -0.8209 -0.6186 -0.6186 -0.4383 -0.4383 -0.3078 -0.3078 -0.2796 -0.2796 -0.1407 -0.1407 0.0193 0.0193 0.1657 0.1657 0.2181 0.2181 0.3319 0.3319 0.3741 0.3741 0.4996 0.4996 0.5990 0.5990 0.6434 0.6434 4.4137 4.4137 4.6167 4.6167 4.6580 4.6580 4.7571 4.7571 5.0170 5.0170 5.1844 5.1844 k = 0.3636-0.0000 0.6169 ( 11174 PWs) bands (ev): -12.9623 -12.9623 -12.4899 -12.4899 -12.4865 -12.4865 -12.4579 -12.4579 -12.0150 -12.0150 -11.9784 -11.9784 -11.8744 -11.8744 -11.8509 -11.8509 -2.4616 -2.4616 -2.1373 -2.1373 -2.0260 -2.0260 -1.7448 -1.7448 -1.7185 -1.7185 -1.7132 -1.7132 -1.4902 -1.4902 -1.0529 -1.0529 -1.0019 -1.0019 -0.9248 -0.9248 -0.8177 -0.8177 -0.6360 -0.6360 -0.4700 -0.4700 -0.3207 -0.3207 -0.2934 -0.2934 -0.1329 -0.1329 0.0217 0.0217 0.1651 0.1651 0.2136 0.2136 0.3112 0.3112 0.3850 0.3850 0.4927 0.4927 0.5987 0.5987 0.6407 0.6407 4.4075 4.4075 4.6200 4.6200 4.6634 4.6634 4.7575 4.7575 5.0289 5.0289 5.1854 5.1854 k = 0.3864-0.0000 0.6169 ( 11168 PWs) bands (ev): -12.9613 -12.9613 -12.4896 -12.4896 -12.4862 -12.4862 -12.4587 -12.4587 -12.0178 -12.0178 -11.9774 -11.9774 -11.8733 -11.8733 -11.8514 -11.8514 -2.4593 -2.4593 -2.1398 -2.1398 -2.0222 -2.0222 -1.7463 -1.7463 -1.7232 -1.7232 -1.7170 -1.7170 -1.4778 -1.4778 -1.0365 -1.0365 -0.9753 -0.9753 -0.9061 -0.9061 -0.8172 -0.8172 -0.6501 -0.6501 -0.5006 -0.5006 -0.3435 -0.3435 -0.2995 -0.2995 -0.1199 -0.1199 0.0229 0.0229 0.1646 0.1646 0.2083 0.2083 0.2915 0.2915 0.3954 0.3954 0.4870 0.4870 0.5980 0.5980 0.6383 0.6383 4.4022 4.4022 4.6228 4.6228 4.6684 4.6684 4.7577 4.7577 5.0396 5.0396 5.1860 5.1860 k = 0.4091-0.0000 0.6169 ( 11162 PWs) bands (ev): -12.9606 -12.9606 -12.4893 -12.4893 -12.4858 -12.4858 -12.4594 -12.4594 -12.0201 -12.0201 -11.9766 -11.9766 -11.8723 -11.8723 -11.8519 -11.8519 -2.4573 -2.4573 -2.1419 -2.1419 -2.0191 -2.0191 -1.7475 -1.7475 -1.7308 -1.7308 -1.7165 -1.7165 -1.4671 -1.4671 -1.0201 -1.0201 -0.9500 -0.9500 -0.8905 -0.8905 -0.8193 -0.8193 -0.6596 -0.6596 -0.5300 -0.5300 -0.3663 -0.3663 -0.3054 -0.3054 -0.1033 -0.1033 0.0226 0.0226 0.1642 0.1642 0.2018 0.2018 0.2743 0.2743 0.4046 0.4046 0.4823 0.4823 0.5971 0.5971 0.6362 0.6362 4.3978 4.3978 4.6252 4.6252 4.6728 4.6728 4.7578 4.7578 5.0488 5.0488 5.1861 5.1861 k = 0.4318-0.0000 0.6169 ( 11162 PWs) bands (ev): -12.9599 -12.9599 -12.4891 -12.4891 -12.4856 -12.4856 -12.4600 -12.4600 -12.0220 -12.0220 -11.9759 -11.9759 -11.8715 -11.8715 -11.8523 -11.8523 -2.4557 -2.4557 -2.1436 -2.1436 -2.0165 -2.0165 -1.7484 -1.7484 -1.7370 -1.7370 -1.7161 -1.7161 -1.4584 -1.4584 -1.0045 -1.0045 -0.9270 -0.9270 -0.8790 -0.8790 -0.8240 -0.8240 -0.6627 -0.6627 -0.5579 -0.5579 -0.3862 -0.3862 -0.3113 -0.3113 -0.0849 -0.0849 0.0204 0.0204 0.1643 0.1643 0.1939 0.1939 0.2611 0.2611 0.4121 0.4121 0.4787 0.4787 0.5962 0.5962 0.6345 0.6345 4.3944 4.3944 4.6270 4.6270 4.6765 4.6765 4.7578 4.7578 5.0563 5.0563 5.1860 5.1860 k = 0.4545-0.0000 0.6169 ( 11162 PWs) bands (ev): -12.9595 -12.9595 -12.4890 -12.4890 -12.4854 -12.4854 -12.4605 -12.4605 -12.0233 -12.0233 -11.9754 -11.9754 -11.8710 -11.8710 -11.8526 -11.8526 -2.4545 -2.4545 -2.1448 -2.1448 -2.0147 -2.0147 -1.7488 -1.7488 -1.7416 -1.7416 -1.7157 -1.7157 -1.4519 -1.4519 -0.9911 -0.9911 -0.9073 -0.9073 -0.8715 -0.8715 -0.8313 -0.8313 -0.6585 -0.6585 -0.5841 -0.5841 -0.4015 -0.4015 -0.3162 -0.3162 -0.0672 -0.0672 0.0163 0.0163 0.1649 0.1649 0.1853 0.1853 0.2524 0.2524 0.4178 0.4178 0.4761 0.4761 0.5954 0.5954 0.6332 0.6332 4.3920 4.3920 4.6284 4.6284 4.6792 4.6792 4.7577 4.7577 5.0619 5.0619 5.1858 5.1858 k = 0.4773-0.0000 0.6169 ( 11168 PWs) bands (ev): -12.9592 -12.9592 -12.4889 -12.4889 -12.4852 -12.4852 -12.4607 -12.4607 -12.0241 -12.0241 -11.9751 -11.9751 -11.8707 -11.8707 -11.8528 -11.8528 -2.4538 -2.4538 -2.1456 -2.1456 -2.0136 -2.0136 -1.7489 -1.7489 -1.7446 -1.7446 -1.7155 -1.7155 -1.4479 -1.4479 -0.9817 -0.9817 -0.8936 -0.8936 -0.8654 -0.8654 -0.8406 -0.8406 -0.6472 -0.6472 -0.6082 -0.6082 -0.4112 -0.4112 -0.3195 -0.3195 -0.0530 -0.0530 0.0113 0.0113 0.1665 0.1665 0.1777 0.1777 0.2476 0.2476 0.4213 0.4213 0.4745 0.4745 0.5949 0.5949 0.6324 0.6324 4.3905 4.3905 4.6292 4.6292 4.6809 4.6809 4.7576 4.7576 5.0653 5.0653 5.1856 5.1856 k = 0.5000-0.0000 0.6169 ( 11172 PWs) bands (ev): -12.9591 -12.9591 -12.4889 -12.4889 -12.4852 -12.4852 -12.4608 -12.4608 -12.0244 -12.0244 -11.9750 -11.9750 -11.8705 -11.8705 -11.8528 -11.8528 -2.4535 -2.4535 -2.1458 -2.1458 -2.0132 -2.0132 -1.7489 -1.7489 -1.7456 -1.7456 -1.7154 -1.7154 -1.4466 -1.4466 -0.9783 -0.9783 -0.8890 -0.8890 -0.8601 -0.8601 -0.8473 -0.8473 -0.6325 -0.6325 -0.6270 -0.6270 -0.4146 -0.4146 -0.3207 -0.3207 -0.0472 -0.0472 0.0087 0.0087 0.1682 0.1682 0.1738 0.1738 0.2461 0.2461 0.4225 0.4225 0.4739 0.4739 0.5947 0.5947 0.6322 0.6322 4.3900 4.3900 4.6294 4.6294 4.6815 4.6815 4.7576 4.7576 5.0665 5.0665 5.1855 5.1855 Writing output data file ZrCl4.save init_run : 0.25s CPU 0.36s WALL ( 1 calls) electrons : 318.64s CPU 322.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 318.64s CPU 322.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 231 calls) cegterg : 288.64s CPU 291.43s WALL ( 231 calls) Called by sum_band: Called by *egterg: h_psi : 187.84s CPU 190.73s WALL ( 4455 calls) s_psi : 19.18s CPU 19.05s WALL ( 4455 calls) g_psi : 0.38s CPU 0.37s WALL ( 3993 calls) cdiaghg : 70.29s CPU 70.38s WALL ( 4224 calls) cegterg:over : 15.28s CPU 15.23s WALL ( 3993 calls) cegterg:upda : 9.54s CPU 9.76s WALL ( 3993 calls) cegterg:last : 7.26s CPU 7.26s WALL ( 924 calls) cdiaghg:chol : 3.30s CPU 3.12s WALL ( 4224 calls) cdiaghg:inve : 1.95s CPU 2.12s WALL ( 4224 calls) cdiaghg:para : 4.24s CPU 4.22s WALL ( 8448 calls) Called by h_psi: h_psi:vloc : 156.45s CPU 158.95s WALL ( 4455 calls) h_psi:vnl : 31.06s CPU 31.45s WALL ( 4455 calls) add_vuspsi : 16.51s CPU 16.80s WALL ( 4455 calls) General routines calbec : 14.52s CPU 14.63s WALL ( 4455 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 151.59s CPU 154.15s WALL ( 882180 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 462 calls) Parallel routines fft_scatter : 94.96s CPU 96.54s WALL ( 882203 calls) PWSCF : 5m58.85s CPU 6m16.57s WALL This run was terminated on: 9:37:11 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=