Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 5:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrTiF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 73 20 2501 2501 363 Max 74 74 21 2505 2505 366 Sum 2653 2653 745 90129 90129 13107 bravais-lattice index = 14 lattice parameter (alat) = 10.9705 a.u. unit-cell volume = 933.6111 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.970514 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) F 7.00 18.99840 F( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0128205 -0.0074019 0.0104679), wk = 0.0038168 k( 3) = ( 0.0256410 -0.0148039 0.0209358), wk = 0.0038168 k( 4) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0038168 k( 5) = ( 0.0512821 -0.0296077 0.0418716), wk = 0.0038168 k( 6) = ( 0.0641026 -0.0370096 0.0523395), wk = 0.0038168 k( 7) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0038168 k( 8) = ( 0.0897436 -0.0518135 0.0732753), wk = 0.0038168 k( 9) = ( 0.1025641 -0.0592154 0.0837432), wk = 0.0038168 k( 10) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0038168 k( 11) = ( 0.1282051 -0.0740193 0.1046791), wk = 0.0038168 k( 12) = ( 0.1410256 -0.0814212 0.1151470), wk = 0.0038168 k( 13) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0038168 k( 14) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0038168 k( 15) = ( 0.1794872 -0.1036270 0.1465507), wk = 0.0038168 k( 16) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0038168 k( 17) = ( 0.2051282 -0.1184308 0.1674865), wk = 0.0038168 k( 18) = ( 0.2179487 -0.1258328 0.1779544), wk = 0.0038168 k( 19) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0038168 k( 20) = ( 0.2435897 -0.1406366 0.1988902), wk = 0.0038168 k( 21) = ( 0.2564103 -0.1480385 0.2093581), wk = 0.0038168 k( 22) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0038168 k( 23) = ( 0.2820513 -0.1628424 0.2302939), wk = 0.0038168 k( 24) = ( 0.2948718 -0.1702443 0.2407618), wk = 0.0038168 k( 25) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0038168 k( 26) = ( 0.3205128 -0.1850482 0.2616976), wk = 0.0038168 k( 27) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0038168 k( 28) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0038168 k( 29) = ( 0.3589744 -0.2072539 0.2931013), wk = 0.0038168 k( 30) = ( 0.3717949 -0.2146559 0.3035692), wk = 0.0038168 k( 31) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0038168 k( 32) = ( 0.3974359 -0.2294597 0.3245051), wk = 0.0038168 k( 33) = ( 0.4102564 -0.2368616 0.3349730), wk = 0.0038168 k( 34) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0038168 k( 35) = ( 0.4358974 -0.2516655 0.3559088), wk = 0.0038168 k( 36) = ( 0.4487179 -0.2590674 0.3663767), wk = 0.0038168 k( 37) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0038168 k( 38) = ( 0.4743590 -0.2738713 0.3873125), wk = 0.0038168 k( 39) = ( 0.4871795 -0.2812732 0.3977804), wk = 0.0038168 k( 40) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038168 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038168 k( 42) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0038168 k( 43) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0038168 k( 44) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0038168 k( 45) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0038168 k( 46) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0038168 k( 47) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0038168 k( 48) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0038168 k( 49) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0038168 k( 50) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0038168 k( 51) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0038168 k( 52) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0038168 k( 53) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0038168 k( 54) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0038168 k( 55) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0038168 k( 56) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0038168 k( 57) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0038168 k( 58) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0038168 k( 59) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0038168 k( 60) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0038168 k( 61) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038168 k( 62) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038168 k( 63) = ( 0.4910714 0.0154647 0.6123724), wk = 0.0038168 k( 64) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0038168 k( 65) = ( 0.4732143 0.0463942 0.6123724), wk = 0.0038168 k( 66) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0038168 k( 67) = ( 0.4553571 0.0773237 0.6123724), wk = 0.0038168 k( 68) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0038168 k( 69) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0038168 k( 70) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0038168 k( 71) = ( 0.4196429 0.1391826 0.6123724), wk = 0.0038168 k( 72) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0038168 k( 73) = ( 0.4017857 0.1701121 0.6123724), wk = 0.0038168 k( 74) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0038168 k( 75) = ( 0.3839286 0.2010416 0.6123724), wk = 0.0038168 k( 76) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038168 k( 77) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038168 k( 78) = ( 0.3658537 0.2112257 0.5974365), wk = 0.0038168 k( 79) = ( 0.3567073 0.2059451 0.5825006), wk = 0.0038168 k( 80) = ( 0.3475610 0.2006644 0.5675647), wk = 0.0038168 k( 81) = ( 0.3384146 0.1953838 0.5526288), wk = 0.0038168 k( 82) = ( 0.3292683 0.1901031 0.5376929), wk = 0.0038168 k( 83) = ( 0.3201219 0.1848225 0.5227570), wk = 0.0038168 k( 84) = ( 0.3109756 0.1795419 0.5078210), wk = 0.0038168 k( 85) = ( 0.3018293 0.1742612 0.4928851), wk = 0.0038168 k( 86) = ( 0.2926829 0.1689806 0.4779492), wk = 0.0038168 k( 87) = ( 0.2835366 0.1636999 0.4630133), wk = 0.0038168 k( 88) = ( 0.2743902 0.1584193 0.4480774), wk = 0.0038168 k( 89) = ( 0.2652439 0.1531386 0.4331415), wk = 0.0038168 k( 90) = ( 0.2560976 0.1478580 0.4182056), wk = 0.0038168 k( 91) = ( 0.2469512 0.1425774 0.4032697), wk = 0.0038168 k( 92) = ( 0.2378049 0.1372967 0.3883337), wk = 0.0038168 k( 93) = ( 0.2286585 0.1320161 0.3733978), wk = 0.0038168 k( 94) = ( 0.2195122 0.1267354 0.3584619), wk = 0.0038168 k( 95) = ( 0.2103658 0.1214548 0.3435260), wk = 0.0038168 k( 96) = ( 0.2012195 0.1161741 0.3285901), wk = 0.0038168 k( 97) = ( 0.1920732 0.1108935 0.3136542), wk = 0.0038168 k( 98) = ( 0.1829268 0.1056129 0.2987183), wk = 0.0038168 k( 99) = ( 0.1737805 0.1003322 0.2837824), wk = 0.0038168 k( 100) = ( 0.1646342 0.0950516 0.2688464), wk = 0.0038168 k( 101) = ( 0.1554878 0.0897709 0.2539105), wk = 0.0038168 k( 102) = ( 0.1463415 0.0844903 0.2389746), wk = 0.0038168 k( 103) = ( 0.1371951 0.0792096 0.2240387), wk = 0.0038168 k( 104) = ( 0.1280488 0.0739290 0.2091028), wk = 0.0038168 k( 105) = ( 0.1189024 0.0686484 0.1941669), wk = 0.0038168 k( 106) = ( 0.1097561 0.0633677 0.1792310), wk = 0.0038168 k( 107) = ( 0.1006098 0.0580871 0.1642950), wk = 0.0038168 k( 108) = ( 0.0914634 0.0528064 0.1493591), wk = 0.0038168 k( 109) = ( 0.0823171 0.0475258 0.1344232), wk = 0.0038168 k( 110) = ( 0.0731707 0.0422451 0.1194873), wk = 0.0038168 k( 111) = ( 0.0640244 0.0369645 0.1045514), wk = 0.0038168 k( 112) = ( 0.0548780 0.0316839 0.0896155), wk = 0.0038168 k( 113) = ( 0.0457317 0.0264032 0.0746796), wk = 0.0038168 k( 114) = ( 0.0365854 0.0211226 0.0597436), wk = 0.0038168 k( 115) = ( 0.0274390 0.0158419 0.0448077), wk = 0.0038168 k( 116) = ( 0.0182927 0.0105613 0.0298718), wk = 0.0038168 k( 117) = ( 0.0091463 0.0052806 0.0149359), wk = 0.0038168 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 120) = ( 0.0147059 0.0084904 0.0060037), wk = 0.0038168 k( 121) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0038168 k( 122) = ( 0.0441177 0.0254713 0.0180110), wk = 0.0038168 k( 123) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0038168 k( 124) = ( 0.0735294 0.0424522 0.0300183), wk = 0.0038168 k( 125) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0038168 k( 126) = ( 0.1029412 0.0594331 0.0420256), wk = 0.0038168 k( 127) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0038168 k( 128) = ( 0.1323529 0.0764140 0.0540329), wk = 0.0038168 k( 129) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0038168 k( 130) = ( 0.1617647 0.0933949 0.0660402), wk = 0.0038168 k( 131) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0038168 k( 132) = ( 0.1911765 0.1103758 0.0780475), wk = 0.0038168 k( 133) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0038168 k( 134) = ( 0.2205882 0.1273567 0.0900548), wk = 0.0038168 k( 135) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0038168 k( 136) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0038168 k( 137) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0038168 k( 138) = ( 0.2794118 0.1613185 0.1140694), wk = 0.0038168 k( 139) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0038168 k( 140) = ( 0.3088235 0.1782993 0.1260767), wk = 0.0038168 k( 141) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0038168 k( 142) = ( 0.3382353 0.1952802 0.1380840), wk = 0.0038168 k( 143) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0038168 k( 144) = ( 0.3676471 0.2122611 0.1500913), wk = 0.0038168 k( 145) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0038168 k( 146) = ( 0.3970588 0.2292420 0.1620986), wk = 0.0038168 k( 147) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0038168 k( 148) = ( 0.4264706 0.2462229 0.1741059), wk = 0.0038168 k( 149) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0038168 k( 150) = ( 0.4558823 0.2632038 0.1861132), wk = 0.0038168 k( 151) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0038168 k( 152) = ( 0.4852941 0.2801847 0.1981205), wk = 0.0038168 k( 153) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038168 k( 154) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038168 k( 155) = ( 0.5052083 0.2736400 0.2126293), wk = 0.0038168 k( 156) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0038168 k( 157) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0038168 k( 158) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0038168 k( 159) = ( 0.5260417 0.2134993 0.2466500), wk = 0.0038168 k( 160) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0038168 k( 161) = ( 0.5364583 0.1834290 0.2636604), wk = 0.0038168 k( 162) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0038168 k( 163) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0038168 k( 164) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0038168 k( 165) = ( 0.5572917 0.1232883 0.2976810), wk = 0.0038168 k( 166) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0038168 k( 167) = ( 0.5677083 0.0932180 0.3146914), wk = 0.0038168 k( 168) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0038168 k( 169) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0038168 k( 170) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0038168 k( 171) = ( 0.5885417 0.0330774 0.3487121), wk = 0.0038168 k( 172) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0038168 k( 173) = ( 0.5989583 0.0030070 0.3657224), wk = 0.0038168 k( 174) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0038168 k( 175) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0038168 k( 176) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0038168 k( 177) = ( 0.6197917 -0.0571336 0.3997431), wk = 0.0038168 k( 178) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038168 k( 179) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038168 k( 180) = ( 0.6160714 -0.0670139 0.4228286), wk = 0.0038168 k( 181) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0038168 k( 182) = ( 0.5982143 -0.0567040 0.4519892), wk = 0.0038168 k( 183) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0038168 k( 184) = ( 0.5803571 -0.0463942 0.4811498), wk = 0.0038168 k( 185) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0038168 k( 186) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0038168 k( 187) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0038168 k( 188) = ( 0.5446429 -0.0257746 0.5394710), wk = 0.0038168 k( 189) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0038168 k( 190) = ( 0.5267857 -0.0154647 0.5686316), wk = 0.0038168 k( 191) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0038168 k( 192) = ( 0.5089286 -0.0051549 0.5977921), wk = 0.0038168 k( 193) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038168 k( 194) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0038168 k( 195) = ( 0.5000000 0.0103098 0.5977921), wk = 0.0038168 k( 196) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0038168 k( 197) = ( 0.5000000 0.0309295 0.5686316), wk = 0.0038168 k( 198) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0038168 k( 199) = ( 0.5000000 0.0515491 0.5394710), wk = 0.0038168 k( 200) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0038168 k( 201) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0038168 k( 202) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0038168 k( 203) = ( 0.5000000 0.0927884 0.4811498), wk = 0.0038168 k( 204) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0038168 k( 205) = ( 0.5000000 0.1134081 0.4519892), wk = 0.0038168 k( 206) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0038168 k( 207) = ( 0.5000000 0.1340277 0.4228286), wk = 0.0038168 k( 208) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0038168 k( 209) = ( 0.5000000 0.1546474 0.3936680), wk = 0.0038168 k( 210) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0038168 k( 211) = ( 0.5000000 0.1752670 0.3645074), wk = 0.0038168 k( 212) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0038168 k( 213) = ( 0.5000000 0.1958867 0.3353468), wk = 0.0038168 k( 214) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0038168 k( 215) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0038168 k( 216) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0038168 k( 217) = ( 0.5000000 0.2371260 0.2770256), wk = 0.0038168 k( 218) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0038168 k( 219) = ( 0.5000000 0.2577457 0.2478650), wk = 0.0038168 k( 220) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0038168 k( 221) = ( 0.5000000 0.2783653 0.2187044), wk = 0.0038168 k( 222) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038168 k( 223) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0038168 k( 224) = ( 0.4947917 0.2856681 0.2211345), wk = 0.0038168 k( 225) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0038168 k( 226) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0038168 k( 227) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0038168 k( 228) = ( 0.4739583 0.2736400 0.2891759), wk = 0.0038168 k( 229) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0038168 k( 230) = ( 0.4635417 0.2676259 0.3231966), wk = 0.0038168 k( 231) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0038168 k( 232) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0038168 k( 233) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0038168 k( 234) = ( 0.4427083 0.2555978 0.3912379), wk = 0.0038168 k( 235) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0038168 k( 236) = ( 0.4322917 0.2495837 0.4252586), wk = 0.0038168 k( 237) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0038168 k( 238) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0038168 k( 239) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0038168 k( 240) = ( 0.4114583 0.2375556 0.4933000), wk = 0.0038168 k( 241) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0038168 k( 242) = ( 0.4010417 0.2315415 0.5273207), wk = 0.0038168 k( 243) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0038168 k( 244) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0038168 k( 245) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0038168 k( 246) = ( 0.3802083 0.2195134 0.5953621), wk = 0.0038168 k( 247) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0038168 k( 248) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0038168 k( 249) = ( 0.6160714 -0.0876335 0.4082483), wk = 0.0038168 k( 250) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0038168 k( 251) = ( 0.5982143 -0.1185630 0.4082483), wk = 0.0038168 k( 252) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0038168 k( 253) = ( 0.5803571 -0.1494925 0.4082483), wk = 0.0038168 k( 254) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0038168 k( 255) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0038168 k( 256) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0038168 k( 257) = ( 0.5446429 -0.2113514 0.4082483), wk = 0.0038168 k( 258) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0038168 k( 259) = ( 0.5267857 -0.2422809 0.4082483), wk = 0.0038168 k( 260) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0038168 k( 261) = ( 0.5089286 -0.2732104 0.4082483), wk = 0.0038168 k( 262) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0128205 0.0000000 0.0128205), wk = 0.0038168 k( 3) = ( 0.0256410 0.0000000 0.0256410), wk = 0.0038168 k( 4) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0038168 k( 5) = ( 0.0512821 0.0000000 0.0512821), wk = 0.0038168 k( 6) = ( 0.0641026 0.0000000 0.0641026), wk = 0.0038168 k( 7) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0038168 k( 8) = ( 0.0897436 0.0000000 0.0897436), wk = 0.0038168 k( 9) = ( 0.1025641 0.0000000 0.1025641), wk = 0.0038168 k( 10) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0038168 k( 11) = ( 0.1282051 0.0000000 0.1282051), wk = 0.0038168 k( 12) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0038168 k( 13) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0038168 k( 14) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0038168 k( 15) = ( 0.1794872 0.0000000 0.1794872), wk = 0.0038168 k( 16) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0038168 k( 17) = ( 0.2051282 0.0000000 0.2051282), wk = 0.0038168 k( 18) = ( 0.2179487 0.0000000 0.2179487), wk = 0.0038168 k( 19) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0038168 k( 20) = ( 0.2435897 0.0000000 0.2435897), wk = 0.0038168 k( 21) = ( 0.2564103 0.0000000 0.2564103), wk = 0.0038168 k( 22) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0038168 k( 23) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0038168 k( 24) = ( 0.2948718 0.0000000 0.2948718), wk = 0.0038168 k( 25) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0038168 k( 26) = ( 0.3205128 0.0000000 0.3205128), wk = 0.0038168 k( 27) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0038168 k( 28) = ( 0.3461538 0.0000000 0.3461539), wk = 0.0038168 k( 29) = ( 0.3589744 0.0000000 0.3589744), wk = 0.0038168 k( 30) = ( 0.3717949 0.0000000 0.3717949), wk = 0.0038168 k( 31) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0038168 k( 32) = ( 0.3974359 0.0000000 0.3974359), wk = 0.0038168 k( 33) = ( 0.4102564 0.0000000 0.4102564), wk = 0.0038168 k( 34) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0038168 k( 35) = ( 0.4358974 0.0000000 0.4358974), wk = 0.0038168 k( 36) = ( 0.4487179 0.0000000 0.4487179), wk = 0.0038168 k( 37) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0038168 k( 38) = ( 0.4743590 0.0000000 0.4743590), wk = 0.0038168 k( 39) = ( 0.4871795 0.0000000 0.4871795), wk = 0.0038168 k( 40) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 42) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0038168 k( 43) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0038168 k( 44) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0038168 k( 45) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0038168 k( 46) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0038168 k( 47) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0038168 k( 48) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0038168 k( 49) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0038168 k( 50) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0038168 k( 51) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0038168 k( 52) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0038168 k( 53) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0038168 k( 54) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0038168 k( 55) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0038168 k( 56) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0038168 k( 57) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0038168 k( 58) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0038168 k( 59) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0038168 k( 60) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0038168 k( 61) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038168 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038168 k( 63) = ( 0.4910714 0.2589286 0.7500000), wk = 0.0038168 k( 64) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0038168 k( 65) = ( 0.4732143 0.2767857 0.7500000), wk = 0.0038168 k( 66) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0038168 k( 67) = ( 0.4553571 0.2946429 0.7500000), wk = 0.0038168 k( 68) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0038168 k( 69) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0038168 k( 70) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0038168 k( 71) = ( 0.4196429 0.3303571 0.7500000), wk = 0.0038168 k( 72) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0038168 k( 73) = ( 0.4017857 0.3482143 0.7500000), wk = 0.0038168 k( 74) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0038168 k( 75) = ( 0.3839286 0.3660714 0.7500000), wk = 0.0038168 k( 76) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038168 k( 77) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038168 k( 78) = ( 0.3658537 0.3658537 0.7317073), wk = 0.0038168 k( 79) = ( 0.3567073 0.3567073 0.7134146), wk = 0.0038168 k( 80) = ( 0.3475610 0.3475610 0.6951220), wk = 0.0038168 k( 81) = ( 0.3384146 0.3384146 0.6768293), wk = 0.0038168 k( 82) = ( 0.3292683 0.3292683 0.6585366), wk = 0.0038168 k( 83) = ( 0.3201219 0.3201219 0.6402439), wk = 0.0038168 k( 84) = ( 0.3109756 0.3109756 0.6219512), wk = 0.0038168 k( 85) = ( 0.3018293 0.3018293 0.6036585), wk = 0.0038168 k( 86) = ( 0.2926829 0.2926829 0.5853658), wk = 0.0038168 k( 87) = ( 0.2835366 0.2835366 0.5670732), wk = 0.0038168 k( 88) = ( 0.2743902 0.2743902 0.5487805), wk = 0.0038168 k( 89) = ( 0.2652439 0.2652439 0.5304878), wk = 0.0038168 k( 90) = ( 0.2560976 0.2560976 0.5121951), wk = 0.0038168 k( 91) = ( 0.2469512 0.2469512 0.4939024), wk = 0.0038168 k( 92) = ( 0.2378049 0.2378049 0.4756098), wk = 0.0038168 k( 93) = ( 0.2286585 0.2286585 0.4573171), wk = 0.0038168 k( 94) = ( 0.2195122 0.2195122 0.4390244), wk = 0.0038168 k( 95) = ( 0.2103658 0.2103659 0.4207317), wk = 0.0038168 k( 96) = ( 0.2012195 0.2012195 0.4024390), wk = 0.0038168 k( 97) = ( 0.1920732 0.1920732 0.3841463), wk = 0.0038168 k( 98) = ( 0.1829268 0.1829268 0.3658537), wk = 0.0038168 k( 99) = ( 0.1737805 0.1737805 0.3475610), wk = 0.0038168 k( 100) = ( 0.1646342 0.1646342 0.3292683), wk = 0.0038168 k( 101) = ( 0.1554878 0.1554878 0.3109756), wk = 0.0038168 k( 102) = ( 0.1463415 0.1463415 0.2926829), wk = 0.0038168 k( 103) = ( 0.1371951 0.1371951 0.2743902), wk = 0.0038168 k( 104) = ( 0.1280488 0.1280488 0.2560976), wk = 0.0038168 k( 105) = ( 0.1189024 0.1189024 0.2378049), wk = 0.0038168 k( 106) = ( 0.1097561 0.1097561 0.2195122), wk = 0.0038168 k( 107) = ( 0.1006098 0.1006098 0.2012195), wk = 0.0038168 k( 108) = ( 0.0914634 0.0914634 0.1829268), wk = 0.0038168 k( 109) = ( 0.0823171 0.0823171 0.1646342), wk = 0.0038168 k( 110) = ( 0.0731707 0.0731707 0.1463415), wk = 0.0038168 k( 111) = ( 0.0640244 0.0640244 0.1280488), wk = 0.0038168 k( 112) = ( 0.0548780 0.0548780 0.1097561), wk = 0.0038168 k( 113) = ( 0.0457317 0.0457317 0.0914634), wk = 0.0038168 k( 114) = ( 0.0365854 0.0365854 0.0731707), wk = 0.0038168 k( 115) = ( 0.0274390 0.0274390 0.0548781), wk = 0.0038168 k( 116) = ( 0.0182927 0.0182927 0.0365854), wk = 0.0038168 k( 117) = ( 0.0091463 0.0091463 0.0182927), wk = 0.0038168 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 120) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0038168 k( 121) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0038168 k( 122) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0038168 k( 123) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0038168 k( 124) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0038168 k( 125) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0038168 k( 126) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0038168 k( 127) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0038168 k( 128) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0038168 k( 129) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0038168 k( 130) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0038168 k( 131) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0038168 k( 132) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0038168 k( 133) = ( 0.2058823 0.2058824 0.2058824), wk = 0.0038168 k( 134) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0038168 k( 135) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0038168 k( 136) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038168 k( 137) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0038168 k( 138) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0038168 k( 139) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0038168 k( 140) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0038168 k( 141) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0038168 k( 142) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0038168 k( 143) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0038168 k( 144) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0038168 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0038168 k( 146) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0038168 k( 147) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0038168 k( 148) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0038168 k( 149) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0038168 k( 150) = ( 0.4558823 0.4558824 0.4558824), wk = 0.0038168 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0038168 k( 152) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0038168 k( 153) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 154) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 155) = ( 0.5052083 0.4895833 0.5052083), wk = 0.0038168 k( 156) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0038168 k( 157) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0038168 k( 158) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0038168 k( 159) = ( 0.5260417 0.4479167 0.5260417), wk = 0.0038168 k( 160) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0038168 k( 161) = ( 0.5364583 0.4270833 0.5364583), wk = 0.0038168 k( 162) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0038168 k( 163) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0038168 k( 164) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0038168 k( 165) = ( 0.5572917 0.3854167 0.5572917), wk = 0.0038168 k( 166) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0038168 k( 167) = ( 0.5677083 0.3645833 0.5677083), wk = 0.0038168 k( 168) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0038168 k( 169) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0038168 k( 170) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0038168 k( 171) = ( 0.5885417 0.3229167 0.5885417), wk = 0.0038168 k( 172) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0038168 k( 173) = ( 0.5989583 0.3020833 0.5989583), wk = 0.0038168 k( 174) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0038168 k( 175) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0038168 k( 176) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0038168 k( 177) = ( 0.6197917 0.2604167 0.6197917), wk = 0.0038168 k( 178) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038168 k( 179) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038168 k( 180) = ( 0.6160714 0.2500000 0.6339286), wk = 0.0038168 k( 181) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0038168 k( 182) = ( 0.5982143 0.2500000 0.6517857), wk = 0.0038168 k( 183) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0038168 k( 184) = ( 0.5803571 0.2500000 0.6696429), wk = 0.0038168 k( 185) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0038168 k( 186) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0038168 k( 187) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0038168 k( 188) = ( 0.5446429 0.2500000 0.7053571), wk = 0.0038168 k( 189) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0038168 k( 190) = ( 0.5267857 0.2500000 0.7232143), wk = 0.0038168 k( 191) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0038168 k( 192) = ( 0.5089286 0.2500000 0.7410714), wk = 0.0038168 k( 193) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038168 k( 194) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0038168 k( 195) = ( 0.5000000 0.2589286 0.7410714), wk = 0.0038168 k( 196) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0038168 k( 197) = ( 0.5000000 0.2767857 0.7232143), wk = 0.0038168 k( 198) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0038168 k( 199) = ( 0.5000000 0.2946429 0.7053571), wk = 0.0038168 k( 200) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0038168 k( 201) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0038168 k( 202) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0038168 k( 203) = ( 0.5000000 0.3303571 0.6696429), wk = 0.0038168 k( 204) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0038168 k( 205) = ( 0.5000000 0.3482143 0.6517857), wk = 0.0038168 k( 206) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0038168 k( 207) = ( 0.5000000 0.3660714 0.6339286), wk = 0.0038168 k( 208) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0038168 k( 209) = ( 0.5000000 0.3839286 0.6160714), wk = 0.0038168 k( 210) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0038168 k( 211) = ( 0.5000000 0.4017857 0.5982143), wk = 0.0038168 k( 212) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0038168 k( 213) = ( 0.5000000 0.4196429 0.5803571), wk = 0.0038168 k( 214) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0038168 k( 215) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0038168 k( 216) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0038168 k( 217) = ( 0.5000000 0.4553571 0.5446429), wk = 0.0038168 k( 218) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0038168 k( 219) = ( 0.5000000 0.4732143 0.5267857), wk = 0.0038168 k( 220) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0038168 k( 221) = ( 0.5000000 0.4910714 0.5089286), wk = 0.0038168 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 224) = ( 0.4947917 0.4947917 0.5104167), wk = 0.0038168 k( 225) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0038168 k( 226) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0038168 k( 227) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0038168 k( 228) = ( 0.4739583 0.4739583 0.5520833), wk = 0.0038168 k( 229) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0038168 k( 230) = ( 0.4635417 0.4635417 0.5729167), wk = 0.0038168 k( 231) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0038168 k( 232) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0038168 k( 233) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0038168 k( 234) = ( 0.4427083 0.4427083 0.6145833), wk = 0.0038168 k( 235) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0038168 k( 236) = ( 0.4322917 0.4322917 0.6354167), wk = 0.0038168 k( 237) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0038168 k( 238) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0038168 k( 239) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0038168 k( 240) = ( 0.4114583 0.4114583 0.6770833), wk = 0.0038168 k( 241) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0038168 k( 242) = ( 0.4010417 0.4010417 0.6979167), wk = 0.0038168 k( 243) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0038168 k( 244) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0038168 k( 245) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0038168 k( 246) = ( 0.3802083 0.3802083 0.7395833), wk = 0.0038168 k( 247) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0038168 k( 248) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0038168 k( 249) = ( 0.6160714 0.2321429 0.6160714), wk = 0.0038168 k( 250) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0038168 k( 251) = ( 0.5982143 0.1964286 0.5982143), wk = 0.0038168 k( 252) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0038168 k( 253) = ( 0.5803571 0.1607143 0.5803571), wk = 0.0038168 k( 254) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0038168 k( 255) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0038168 k( 256) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0038168 k( 257) = ( 0.5446429 0.0892857 0.5446429), wk = 0.0038168 k( 258) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0038168 k( 259) = ( 0.5267857 0.0535714 0.5267857), wk = 0.0038168 k( 260) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0038168 k( 261) = ( 0.5089286 0.0178571 0.5089286), wk = 0.0038168 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 Dense grid: 90129 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.69 Mb ( 644, 70) NL pseudopotentials 0.66 Mb ( 322, 134) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2505) G-vector shells 0.00 Mb ( 600) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.75 Mb ( 644, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.29 Mb ( 134, 2, 70) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZrTiF6.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 10.1 secs Computing kpt #: 6 total cpu time spent up to now is 11.6 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.2 secs Computing kpt #: 10 total cpu time spent up to now is 17.6 secs Computing kpt #: 11 total cpu time spent up to now is 19.2 secs Computing kpt #: 12 total cpu time spent up to now is 20.8 secs Computing kpt #: 13 total cpu time spent up to now is 22.3 secs Computing kpt #: 14 total cpu time spent up to now is 23.7 secs Computing kpt #: 15 total cpu time spent up to now is 25.3 secs Computing kpt #: 16 total cpu time spent up to now is 26.7 secs Computing kpt #: 17 total cpu time spent up to now is 28.3 secs Computing kpt #: 18 total cpu time spent up to now is 29.8 secs Computing kpt #: 19 total cpu time spent up to now is 31.4 secs Computing kpt #: 20 total cpu time spent up to now is 32.6 secs Computing kpt #: 21 total cpu time spent up to now is 34.5 secs Computing kpt #: 22 total cpu time spent up to now is 35.7 secs Computing kpt #: 23 total cpu time spent up to now is 37.0 secs Computing kpt #: 24 total cpu time spent up to now is 38.3 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.5 secs Computing kpt #: 27 total cpu time spent up to now is 42.7 secs Computing kpt #: 28 total cpu time spent up to now is 43.8 secs Computing kpt #: 29 total cpu time spent up to now is 45.0 secs Computing kpt #: 30 total cpu time spent up to now is 46.1 secs Computing kpt #: 31 total cpu time spent up to now is 47.3 secs Computing kpt #: 32 total cpu time spent up to now is 48.4 secs Computing kpt #: 33 total cpu time spent up to now is 49.6 secs Computing kpt #: 34 total cpu time spent up to now is 50.7 secs Computing kpt #: 35 total cpu time spent up to now is 51.9 secs Computing kpt #: 36 total cpu time spent up to now is 53.0 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 55.8 secs Computing kpt #: 39 total cpu time spent up to now is 57.0 secs Computing kpt #: 40 total cpu time spent up to now is 58.2 secs Computing kpt #: 41 total cpu time spent up to now is 59.4 secs Computing kpt #: 42 total cpu time spent up to now is 60.7 secs Computing kpt #: 43 total cpu time spent up to now is 61.9 secs Computing kpt #: 44 total cpu time spent up to now is 63.2 secs Computing kpt #: 45 total cpu time spent up to now is 64.6 secs Computing kpt #: 46 total cpu time spent up to now is 66.1 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 69.1 secs Computing kpt #: 49 total cpu time spent up to now is 70.6 secs Computing kpt #: 50 total cpu time spent up to now is 72.2 secs Computing kpt #: 51 total cpu time spent up to now is 73.8 secs Computing kpt #: 52 total cpu time spent up to now is 75.7 secs Computing kpt #: 53 total cpu time spent up to now is 77.2 secs Computing kpt #: 54 total cpu time spent up to now is 79.0 secs Computing kpt #: 55 total cpu time spent up to now is 80.9 secs Computing kpt #: 56 total cpu time spent up to now is 82.8 secs Computing kpt #: 57 total cpu time spent up to now is 84.7 secs Computing kpt #: 58 total cpu time spent up to now is 86.8 secs Computing kpt #: 59 total cpu time spent up to now is 88.6 secs Computing kpt #: 60 total cpu time spent up to now is 90.3 secs Computing kpt #: 61 total cpu time spent up to now is 91.9 secs Computing kpt #: 62 total cpu time spent up to now is 93.4 secs Computing kpt #: 63 total cpu time spent up to now is 95.1 secs Computing kpt #: 64 total cpu time spent up to now is 97.0 secs Computing kpt #: 65 total cpu time spent up to now is 98.5 secs Computing kpt #: 66 total cpu time spent up to now is 100.1 secs Computing kpt #: 67 total cpu time spent up to now is 101.7 secs Computing kpt #: 68 total cpu time spent up to now is 103.2 secs Computing kpt #: 69 total cpu time spent up to now is 104.7 secs Computing kpt #: 70 total cpu time spent up to now is 106.2 secs Computing kpt #: 71 total cpu time spent up to now is 107.8 secs Computing kpt #: 72 total cpu time spent up to now is 109.4 secs Computing kpt #: 73 total cpu time spent up to now is 110.8 secs Computing kpt #: 74 total cpu time spent up to now is 112.4 secs Computing kpt #: 75 total cpu time spent up to now is 114.0 secs Computing kpt #: 76 total cpu time spent up to now is 115.4 secs Computing kpt #: 77 total cpu time spent up to now is 116.8 secs Computing kpt #: 78 total cpu time spent up to now is 118.4 secs Computing kpt #: 79 total cpu time spent up to now is 120.0 secs Computing kpt #: 80 total cpu time spent up to now is 121.6 secs Computing kpt #: 81 total cpu time spent up to now is 123.2 secs Computing kpt #: 82 total cpu time spent up to now is 124.8 secs Computing kpt #: 83 total cpu time spent up to now is 126.2 secs Computing kpt #: 84 total cpu time spent up to now is 127.7 secs Computing kpt #: 85 total cpu time spent up to now is 129.1 secs Computing kpt #: 86 total cpu time spent up to now is 130.4 secs Computing kpt #: 87 total cpu time spent up to now is 131.9 secs Computing kpt #: 88 total cpu time spent up to now is 133.2 secs Computing kpt #: 89 total cpu time spent up to now is 134.6 secs Computing kpt #: 90 total cpu time spent up to now is 135.9 secs Computing kpt #: 91 total cpu time spent up to now is 137.2 secs Computing kpt #: 92 total cpu time spent up to now is 138.5 secs Computing kpt #: 93 total cpu time spent up to now is 139.9 secs Computing kpt #: 94 total cpu time spent up to now is 141.3 secs Computing kpt #: 95 total cpu time spent up to now is 142.6 secs Computing kpt #: 96 total cpu time spent up to now is 144.0 secs Computing kpt #: 97 total cpu time spent up to now is 145.4 secs Computing kpt #: 98 total cpu time spent up to now is 146.8 secs Computing kpt #: 99 total cpu time spent up to now is 148.2 secs Computing kpt #: 100 total cpu time spent up to now is 149.6 secs Computing kpt #: 101 total cpu time spent up to now is 151.0 secs Computing kpt #: 102 total cpu time spent up to now is 152.7 secs Computing kpt #: 103 total cpu time spent up to now is 154.3 secs Computing kpt #: 104 total cpu time spent up to now is 156.0 secs Computing kpt #: 105 total cpu time spent up to now is 157.6 secs Computing kpt #: 106 total cpu time spent up to now is 159.3 secs Computing kpt #: 107 total cpu time spent up to now is 160.9 secs Computing kpt #: 108 total cpu time spent up to now is 162.5 secs Computing kpt #: 109 total cpu time spent up to now is 164.1 secs Computing kpt #: 110 total cpu time spent up to now is 165.6 secs Computing kpt #: 111 total cpu time spent up to now is 167.2 secs Computing kpt #: 112 total cpu time spent up to now is 168.8 secs Computing kpt #: 113 total cpu time spent up to now is 170.3 secs Computing kpt #: 114 total cpu time spent up to now is 172.8 secs Computing kpt #: 115 total cpu time spent up to now is 175.9 secs Computing kpt #: 116 total cpu time spent up to now is 177.5 secs Computing kpt #: 117 total cpu time spent up to now is 178.6 secs Computing kpt #: 118 total cpu time spent up to now is 179.8 secs Computing kpt #: 119 total cpu time spent up to now is 180.9 secs Computing kpt #: 120 total cpu time spent up to now is 182.1 secs Computing kpt #: 121 total cpu time spent up to now is 183.6 secs Computing kpt #: 122 total cpu time spent up to now is 185.1 secs Computing kpt #: 123 total cpu time spent up to now is 186.6 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.8 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.1 secs Computing kpt #: 126 total cpu time spent up to now is 195.1 secs Computing kpt #: 127 total cpu time spent up to now is 196.7 secs Computing kpt #: 128 total cpu time spent up to now is 198.3 secs Computing kpt #: 129 total cpu time spent up to now is 199.9 secs Computing kpt #: 130 total cpu time spent up to now is 201.5 secs Computing kpt #: 131 total cpu time spent up to now is 203.1 secs Computing kpt #: 132 total cpu time spent up to now is 204.7 secs Computing kpt #: 133 total cpu time spent up to now is 206.3 secs Computing kpt #: 134 total cpu time spent up to now is 207.9 secs Computing kpt #: 135 total cpu time spent up to now is 209.5 secs Computing kpt #: 136 total cpu time spent up to now is 211.1 secs Computing kpt #: 137 total cpu time spent up to now is 212.8 secs Computing kpt #: 138 total cpu time spent up to now is 214.4 secs Computing kpt #: 139 total cpu time spent up to now is 216.0 secs Computing kpt #: 140 total cpu time spent up to now is 217.6 secs Computing kpt #: 141 total cpu time spent up to now is 219.2 secs Computing kpt #: 142 total cpu time spent up to now is 220.6 secs Computing kpt #: 143 total cpu time spent up to now is 222.0 secs Computing kpt #: 144 total cpu time spent up to now is 223.3 secs Computing kpt #: 145 total cpu time spent up to now is 224.5 secs Computing kpt #: 146 total cpu time spent up to now is 226.0 secs Computing kpt #: 147 total cpu time spent up to now is 227.1 secs Computing kpt #: 148 total cpu time spent up to now is 228.3 secs Computing kpt #: 149 total cpu time spent up to now is 229.4 secs Computing kpt #: 150 total cpu time spent up to now is 230.6 secs Computing kpt #: 151 total cpu time spent up to now is 231.7 secs Computing kpt #: 152 total cpu time spent up to now is 232.9 secs Computing kpt #: 153 total cpu time spent up to now is 234.0 secs Computing kpt #: 154 total cpu time spent up to now is 235.2 secs Computing kpt #: 155 total cpu time spent up to now is 236.3 secs Computing kpt #: 156 total cpu time spent up to now is 237.8 secs Computing kpt #: 157 total cpu time spent up to now is 239.3 secs Computing kpt #: 158 total cpu time spent up to now is 240.8 secs Computing kpt #: 159 total cpu time spent up to now is 242.4 secs Computing kpt #: 160 total cpu time spent up to now is 244.1 secs Computing kpt #: 161 total cpu time spent up to now is 245.7 secs Computing kpt #: 162 total cpu time spent up to now is 247.3 secs Computing kpt #: 163 total cpu time spent up to now is 249.0 secs Computing kpt #: 164 total cpu time spent up to now is 250.6 secs Computing kpt #: 165 total cpu time spent up to now is 252.3 secs Computing kpt #: 166 total cpu time spent up to now is 253.8 secs Computing kpt #: 167 total cpu time spent up to now is 255.4 secs Computing kpt #: 168 total cpu time spent up to now is 257.1 secs Computing kpt #: 169 total cpu time spent up to now is 258.8 secs Computing kpt #: 170 total cpu time spent up to now is 260.2 secs Computing kpt #: 171 total cpu time spent up to now is 261.9 secs Computing kpt #: 172 total cpu time spent up to now is 263.5 secs Computing kpt #: 173 total cpu time spent up to now is 265.1 secs Computing kpt #: 174 total cpu time spent up to now is 266.7 secs Computing kpt #: 175 total cpu time spent up to now is 268.4 secs Computing kpt #: 176 total cpu time spent up to now is 270.0 secs Computing kpt #: 177 total cpu time spent up to now is 271.5 secs Computing kpt #: 178 total cpu time spent up to now is 272.9 secs Computing kpt #: 179 total cpu time spent up to now is 274.3 secs Computing kpt #: 180 total cpu time spent up to now is 275.9 secs Computing kpt #: 181 total cpu time spent up to now is 277.5 secs Computing kpt #: 182 total cpu time spent up to now is 279.1 secs Computing kpt #: 183 total cpu time spent up to now is 280.6 secs Computing kpt #: 184 total cpu time spent up to now is 282.1 secs Computing kpt #: 185 total cpu time spent up to now is 283.7 secs Computing kpt #: 186 total cpu time spent up to now is 285.2 secs Computing kpt #: 187 total cpu time spent up to now is 286.8 secs Computing kpt #: 188 total cpu time spent up to now is 288.4 secs Computing kpt #: 189 total cpu time spent up to now is 290.0 secs Computing kpt #: 190 total cpu time spent up to now is 291.5 secs Computing kpt #: 191 total cpu time spent up to now is 293.4 secs Computing kpt #: 192 total cpu time spent up to now is 295.1 secs Computing kpt #: 193 total cpu time spent up to now is 296.7 secs Computing kpt #: 194 total cpu time spent up to now is 298.2 secs Computing kpt #: 195 total cpu time spent up to now is 299.7 secs Computing kpt #: 196 total cpu time spent up to now is 301.3 secs Computing kpt #: 197 total cpu time spent up to now is 302.8 secs Computing kpt #: 198 total cpu time spent up to now is 304.4 secs Computing kpt #: 199 total cpu time spent up to now is 306.0 secs Computing kpt #: 200 total cpu time spent up to now is 307.6 secs Computing kpt #: 201 total cpu time spent up to now is 309.2 secs Computing kpt #: 202 total cpu time spent up to now is 310.8 secs Computing kpt #: 203 total cpu time spent up to now is 312.4 secs Computing kpt #: 204 total cpu time spent up to now is 314.0 secs Computing kpt #: 205 total cpu time spent up to now is 315.5 secs Computing kpt #: 206 total cpu time spent up to now is 317.0 secs Computing kpt #: 207 total cpu time spent up to now is 318.5 secs Computing kpt #: 208 total cpu time spent up to now is 320.0 secs Computing kpt #: 209 total cpu time spent up to now is 321.5 secs Computing kpt #: 210 total cpu time spent up to now is 323.0 secs Computing kpt #: 211 total cpu time spent up to now is 324.4 secs Computing kpt #: 212 total cpu time spent up to now is 325.9 secs Computing kpt #: 213 total cpu time spent up to now is 327.5 secs Computing kpt #: 214 total cpu time spent up to now is 329.0 secs Computing kpt #: 215 total cpu time spent up to now is 330.6 secs Computing kpt #: 216 total cpu time spent up to now is 332.2 secs Computing kpt #: 217 total cpu time spent up to now is 333.8 secs Computing kpt #: 218 total cpu time spent up to now is 335.3 secs Computing kpt #: 219 total cpu time spent up to now is 336.8 secs Computing kpt #: 220 total cpu time spent up to now is 338.3 secs Computing kpt #: 221 total cpu time spent up to now is 339.5 secs Computing kpt #: 222 total cpu time spent up to now is 340.6 secs Computing kpt #: 223 total cpu time spent up to now is 341.8 secs Computing kpt #: 224 total cpu time spent up to now is 342.9 secs Computing kpt #: 225 total cpu time spent up to now is 344.1 secs Computing kpt #: 226 total cpu time spent up to now is 345.6 secs Computing kpt #: 227 total cpu time spent up to now is 347.1 secs Computing kpt #: 228 total cpu time spent up to now is 348.7 secs Computing kpt #: 229 total cpu time spent up to now is 350.3 secs Computing kpt #: 230 total cpu time spent up to now is 352.0 secs Computing kpt #: 231 total cpu time spent up to now is 353.6 secs Computing kpt #: 232 total cpu time spent up to now is 355.2 secs Computing kpt #: 233 total cpu time spent up to now is 356.9 secs Computing kpt #: 234 total cpu time spent up to now is 358.6 secs Computing kpt #: 235 total cpu time spent up to now is 360.1 secs Computing kpt #: 236 total cpu time spent up to now is 361.6 secs Computing kpt #: 237 total cpu time spent up to now is 363.0 secs Computing kpt #: 238 total cpu time spent up to now is 364.5 secs Computing kpt #: 239 total cpu time spent up to now is 366.0 secs Computing kpt #: 240 total cpu time spent up to now is 367.7 secs Computing kpt #: 241 total cpu time spent up to now is 369.3 secs Computing kpt #: 242 total cpu time spent up to now is 370.9 secs Computing kpt #: 243 total cpu time spent up to now is 372.6 secs Computing kpt #: 244 total cpu time spent up to now is 374.3 secs Computing kpt #: 245 total cpu time spent up to now is 376.2 secs Computing kpt #: 246 total cpu time spent up to now is 377.8 secs Computing kpt #: 247 total cpu time spent up to now is 379.2 secs Computing kpt #: 248 total cpu time spent up to now is 380.6 secs Computing kpt #: 249 total cpu time spent up to now is 381.9 secs Computing kpt #: 250 total cpu time spent up to now is 383.4 secs Computing kpt #: 251 total cpu time spent up to now is 384.8 secs Computing kpt #: 252 total cpu time spent up to now is 386.0 secs Computing kpt #: 253 total cpu time spent up to now is 387.3 secs Computing kpt #: 254 total cpu time spent up to now is 388.5 secs Computing kpt #: 255 total cpu time spent up to now is 389.9 secs Computing kpt #: 256 total cpu time spent up to now is 391.1 secs Computing kpt #: 257 total cpu time spent up to now is 392.2 secs Computing kpt #: 258 total cpu time spent up to now is 393.4 secs Computing kpt #: 259 total cpu time spent up to now is 394.6 secs Computing kpt #: 260 total cpu time spent up to now is 395.8 secs Computing kpt #: 261 total cpu time spent up to now is 397.0 secs Computing kpt #: 262 total cpu time spent up to now is 398.3 secs ethr = 1.72E-08, avg # of iterations = 23.4 total cpu time spent up to now is 398.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2170 -21.2170 -20.9775 -20.9775 -20.9775 -20.9775 -20.6164 -20.6164 -20.5674 -20.5674 -20.5674 -20.5674 -4.2932 -4.2932 -4.2932 -4.2932 -4.1824 -4.1824 -3.4149 -3.4149 -3.4149 -3.4149 -3.3881 -3.3881 -2.7987 -2.7987 -2.7201 -2.7201 -2.7201 -2.7201 -1.7260 -1.7260 -1.7260 -1.7260 -1.6964 -1.6964 -1.6634 -1.6634 -1.5864 -1.5864 -1.5864 -1.5864 -1.2402 -1.2402 -1.2080 -1.2080 -1.2080 -1.2080 4.9602 4.9602 4.9602 4.9602 5.0063 5.0063 6.4842 6.4842 6.4842 6.4842 6.4935 6.4935 6.8305 6.8305 k = 0.0128-0.0074 0.0105 ( 11243 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2167 -21.2167 -20.9775 -20.9775 -20.9772 -20.9772 -20.6166 -20.6166 -20.5678 -20.5678 -20.5674 -20.5674 -4.2933 -4.2933 -4.2922 -4.2922 -4.1815 -4.1815 -3.4147 -3.4147 -3.4141 -3.4141 -3.3875 -3.3875 -2.7990 -2.7990 -2.7208 -2.7208 -2.7199 -2.7199 -1.7265 -1.7265 -1.7263 -1.7263 -1.6967 -1.6967 -1.6643 -1.6643 -1.5880 -1.5880 -1.5867 -1.5867 -1.2406 -1.2406 -1.2086 -1.2086 -1.2082 -1.2082 4.9606 4.9606 4.9615 4.9615 5.0072 5.0072 6.4842 6.4842 6.4865 6.4865 6.4959 6.4959 6.8295 6.8295 k = 0.0256-0.0148 0.0209 ( 11243 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4354 -29.4354 -21.2158 -21.2158 -20.9774 -20.9774 -20.9764 -20.9764 -20.6172 -20.6172 -20.5691 -20.5691 -20.5675 -20.5675 -4.2933 -4.2933 -4.2891 -4.2891 -4.1787 -4.1787 -3.4141 -3.4141 -3.4115 -3.4115 -3.3858 -3.3858 -2.7997 -2.7997 -2.7227 -2.7227 -2.7193 -2.7193 -1.7279 -1.7279 -1.7272 -1.7272 -1.6979 -1.6979 -1.6672 -1.6672 -1.5927 -1.5927 -1.5878 -1.5878 -1.2418 -1.2418 -1.2103 -1.2103 -1.2088 -1.2088 4.9620 4.9620 4.9655 4.9655 5.0099 5.0099 6.4844 6.4844 6.4924 6.4924 6.5040 6.5040 6.8263 6.8264 k = 0.0385-0.0222 0.0314 ( 11247 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4354 -29.4354 -21.2144 -21.2144 -20.9774 -20.9774 -20.9751 -20.9751 -20.6182 -20.6182 -20.5710 -20.5710 -20.5675 -20.5675 -4.2933 -4.2933 -4.2845 -4.2845 -4.1735 -4.1735 -3.4133 -3.4133 -3.4072 -3.4072 -3.3826 -3.3826 -2.8012 -2.8012 -2.7257 -2.7257 -2.7182 -2.7182 -1.7303 -1.7303 -1.7286 -1.7286 -1.6997 -1.6997 -1.6723 -1.6723 -1.6000 -1.6000 -1.5894 -1.5894 -1.2439 -1.2439 -1.2131 -1.2131 -1.2096 -1.2096 4.9639 4.9639 4.9720 4.9720 5.0148 5.0148 6.4845 6.4845 6.5002 6.5002 6.5192 6.5192 6.8212 6.8213 k = 0.0513-0.0296 0.0419 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4354 -29.4354 -21.2124 -21.2124 -20.9774 -20.9774 -20.9733 -20.9733 -20.6198 -20.6198 -20.5735 -20.5735 -20.5676 -20.5676 -4.2934 -4.2934 -4.2792 -4.2792 -4.1652 -4.1652 -3.4126 -3.4126 -3.4012 -3.4012 -3.3778 -3.3778 -2.8037 -2.8037 -2.7294 -2.7294 -2.7167 -2.7167 -1.7339 -1.7339 -1.7308 -1.7308 -1.7023 -1.7023 -1.6800 -1.6800 -1.6091 -1.6091 -1.5916 -1.5916 -1.2469 -1.2469 -1.2171 -1.2171 -1.2107 -1.2107 4.9661 4.9661 4.9811 4.9811 5.0220 5.0220 6.4848 6.4848 6.5100 6.5100 6.5413 6.5413 6.8140 6.8140 k = 0.0641-0.0370 0.0523 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4354 -29.4354 -21.2100 -21.2100 -20.9773 -20.9773 -20.9710 -20.9710 -20.6220 -20.6220 -20.5765 -20.5765 -20.5676 -20.5676 -4.2935 -4.2935 -4.2740 -4.2740 -4.1531 -4.1531 -3.4121 -3.4121 -3.3935 -3.3935 -3.3712 -3.3712 -2.8077 -2.8077 -2.7333 -2.7333 -2.7148 -2.7148 -1.7389 -1.7389 -1.7338 -1.7338 -1.7056 -1.7056 -1.6909 -1.6909 -1.6189 -1.6189 -1.5942 -1.5942 -1.2510 -1.2510 -1.2222 -1.2222 -1.2118 -1.2118 4.9684 4.9684 4.9927 4.9927 5.0318 5.0318 6.4851 6.4851 6.5221 6.5221 6.5697 6.5697 6.8048 6.8049 k = 0.0769-0.0444 0.0628 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4354 -29.4354 -21.2071 -21.2071 -20.9772 -20.9772 -20.9681 -20.9681 -20.6251 -20.6251 -20.5797 -20.5797 -20.5677 -20.5677 -4.2936 -4.2936 -4.2698 -4.2698 -4.1367 -4.1367 -3.4120 -3.4120 -3.3842 -3.3842 -3.3627 -3.3627 -2.8138 -2.8138 -2.7367 -2.7367 -2.7125 -2.7125 -1.7453 -1.7453 -1.7379 -1.7379 -1.7094 -1.7094 -1.7055 -1.7055 -1.6282 -1.6282 -1.5970 -1.5970 -1.2563 -1.2563 -1.2284 -1.2284 -1.2129 -1.2129 4.9705 4.9705 5.0066 5.0066 5.0441 5.0441 6.4855 6.4855 6.5366 6.5366 6.6037 6.6037 6.7939 6.7939 k = 0.0897-0.0518 0.0733 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.2038 -21.2038 -20.9772 -20.9772 -20.9648 -20.9648 -20.6290 -20.6290 -20.5829 -20.5829 -20.5678 -20.5678 -4.2937 -4.2937 -4.2670 -4.2670 -4.1157 -4.1157 -3.4122 -3.4122 -3.3732 -3.3732 -3.3524 -3.3524 -2.8224 -2.8224 -2.7391 -2.7391 -2.7097 -2.7097 -1.7538 -1.7538 -1.7432 -1.7432 -1.7238 -1.7238 -1.7135 -1.7135 -1.6363 -1.6363 -1.6000 -1.6000 -1.2629 -1.2629 -1.2358 -1.2358 -1.2139 -1.2139 4.9724 4.9724 5.0228 5.0228 5.0589 5.0589 6.4860 6.4860 6.5533 6.5533 6.6430 6.6430 6.7813 6.7813 k = 0.1026-0.0592 0.0837 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.2002 -21.2002 -20.9771 -20.9771 -20.9610 -20.9610 -20.6340 -20.6340 -20.5858 -20.5858 -20.5679 -20.5679 -4.2939 -4.2939 -4.2658 -4.2658 -4.0903 -4.0903 -3.4127 -3.4127 -3.3606 -3.3606 -3.3403 -3.3403 -2.8337 -2.8337 -2.7402 -2.7402 -2.7064 -2.7064 -1.7651 -1.7651 -1.7500 -1.7500 -1.7443 -1.7443 -1.7179 -1.7179 -1.6429 -1.6429 -1.6029 -1.6029 -1.2708 -1.2708 -1.2444 -1.2444 -1.2148 -1.2148 4.9741 4.9741 5.0410 5.0410 5.0761 5.0761 6.4865 6.4865 6.5721 6.5721 6.6868 6.6868 6.7674 6.7674 k = 0.1154-0.0666 0.0942 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.1963 -21.1963 -20.9770 -20.9770 -20.9568 -20.9568 -20.6401 -20.6401 -20.5884 -20.5884 -20.5681 -20.5681 -4.2940 -4.2940 -4.2661 -4.2661 -4.0609 -4.0609 -3.4134 -3.4134 -3.3464 -3.3464 -3.3265 -3.3265 -2.8476 -2.8476 -2.7398 -2.7398 -2.7028 -2.7028 -1.7823 -1.7823 -1.7637 -1.7637 -1.7586 -1.7586 -1.7222 -1.7222 -1.6482 -1.6482 -1.6057 -1.6057 -1.2799 -1.2799 -1.2541 -1.2541 -1.2155 -1.2155 4.9758 4.9758 5.0611 5.0611 5.0953 5.0953 6.4871 6.4871 6.5929 6.5929 6.7329 6.7329 6.7542 6.7542 k = 0.1282-0.0740 0.1047 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4355 -29.4355 -21.1923 -21.1923 -20.9769 -20.9769 -20.9522 -20.9522 -20.6471 -20.6471 -20.5906 -20.5906 -20.5682 -20.5682 -4.2942 -4.2942 -4.2677 -4.2677 -4.0283 -4.0283 -3.4143 -3.4143 -3.3307 -3.3307 -3.3111 -3.3111 -2.8636 -2.8636 -2.7381 -2.7381 -2.6986 -2.6986 -1.8067 -1.8067 -1.7796 -1.7796 -1.7689 -1.7689 -1.7264 -1.7264 -1.6524 -1.6524 -1.6084 -1.6084 -1.2904 -1.2904 -1.2649 -1.2649 -1.2162 -1.2162 4.9773 4.9773 5.0829 5.0829 5.1164 5.1164 6.4878 6.4878 6.6155 6.6155 6.7333 6.7333 6.7715 6.7715 k = 0.1410-0.0814 0.1151 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4355 -29.4355 -21.1882 -21.1882 -20.9767 -20.9767 -20.9473 -20.9473 -20.6549 -20.6549 -20.5924 -20.5924 -20.5683 -20.5683 -4.2944 -4.2944 -4.2704 -4.2704 -3.9931 -3.9931 -3.4154 -3.4154 -3.3136 -3.3136 -3.2941 -3.2941 -2.8811 -2.8811 -2.7353 -2.7353 -2.6940 -2.6940 -1.8349 -1.8349 -1.7946 -1.7946 -1.7810 -1.7810 -1.7306 -1.7306 -1.6557 -1.6557 -1.6108 -1.6108 -1.3021 -1.3021 -1.2770 -1.2770 -1.2168 -1.2168 4.9788 4.9788 5.1063 5.1063 5.1391 5.1391 6.4884 6.4884 6.6394 6.6394 6.7163 6.7163 6.7567 6.7567 k = 0.1538-0.0888 0.1256 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4358 -29.4358 -29.4355 -29.4355 -21.1840 -21.1840 -20.9766 -20.9766 -20.9423 -20.9423 -20.6632 -20.6632 -20.5939 -20.5939 -20.5685 -20.5685 -4.2946 -4.2946 -4.2743 -4.2743 -3.9561 -3.9561 -3.4167 -3.4167 -3.2950 -3.2950 -3.2757 -3.2757 -2.8993 -2.8993 -2.7315 -2.7315 -2.6890 -2.6890 -1.8646 -1.8646 -1.8104 -1.8104 -1.7946 -1.7946 -1.7347 -1.7347 -1.6583 -1.6583 -1.6129 -1.6129 -1.3151 -1.3151 -1.2902 -1.2902 -1.2173 -1.2173 4.9803 4.9803 5.1309 5.1309 5.1631 5.1631 6.4892 6.4892 6.6635 6.6635 6.6991 6.6991 6.7406 6.7406 k = 0.1667-0.0962 0.1361 ( 11294 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4355 -29.4355 -21.1798 -21.1798 -20.9765 -20.9765 -20.9374 -20.9374 -20.6717 -20.6717 -20.5951 -20.5951 -20.5687 -20.5687 -4.2948 -4.2948 -4.2792 -4.2792 -3.9183 -3.9183 -3.4180 -3.4180 -3.2750 -3.2750 -3.2558 -3.2558 -2.9175 -2.9175 -2.7268 -2.7268 -2.6834 -2.6834 -1.8949 -1.8949 -1.8271 -1.8271 -1.8096 -1.8096 -1.7388 -1.7388 -1.6604 -1.6604 -1.6148 -1.6148 -1.3294 -1.3294 -1.3045 -1.3045 -1.2178 -1.2178 4.9817 4.9817 5.1565 5.1565 5.1882 5.1882 6.4899 6.4899 6.6727 6.6727 6.6970 6.6970 6.7234 6.7234 k = 0.1795-0.1036 0.1466 ( 11302 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4355 -29.4355 -21.1757 -21.1757 -20.9763 -20.9763 -20.9326 -20.9326 -20.6800 -20.6800 -20.5961 -20.5961 -20.5688 -20.5688 -4.2950 -4.2950 -4.2851 -4.2851 -3.8806 -3.8806 -3.4194 -3.4194 -3.2538 -3.2538 -3.2346 -3.2346 -2.9345 -2.9345 -2.7213 -2.7213 -2.6774 -2.6774 -1.9251 -1.9251 -1.8447 -1.8447 -1.8258 -1.8258 -1.7429 -1.7429 -1.6620 -1.6620 -1.6164 -1.6164 -1.3448 -1.3448 -1.3200 -1.3200 -1.2182 -1.2182 4.9832 4.9832 5.1829 5.1829 5.2141 5.2141 6.4907 6.4907 6.6559 6.6559 6.7054 6.7054 6.7212 6.7212 k = 0.1923-0.1110 0.1570 ( 11318 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1717 -21.1717 -20.9762 -20.9762 -20.9284 -20.9284 -20.6879 -20.6879 -20.5970 -20.5970 -20.5690 -20.5690 -4.2952 -4.2952 -4.2920 -4.2920 -3.8443 -3.8443 -3.4210 -3.4210 -3.2313 -3.2313 -3.2122 -3.2122 -2.9493 -2.9493 -2.7151 -2.7151 -2.6709 -2.6709 -1.9550 -1.9550 -1.8632 -1.8632 -1.8431 -1.8431 -1.7471 -1.7471 -1.6634 -1.6634 -1.6178 -1.6178 -1.3616 -1.3616 -1.3367 -1.3367 -1.2185 -1.2185 4.9846 4.9846 5.2099 5.2099 5.2406 5.2406 6.4914 6.4914 6.6365 6.6365 6.6871 6.6871 6.7480 6.7480 k = 0.2051-0.1184 0.1675 ( 11330 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1679 -21.1679 -20.9761 -20.9761 -20.9250 -20.9250 -20.6948 -20.6948 -20.5977 -20.5977 -20.5692 -20.5692 -4.2999 -4.2999 -4.2955 -4.2955 -3.8107 -3.8107 -3.4225 -3.4225 -3.2077 -3.2077 -3.1886 -3.1886 -2.9604 -2.9604 -2.7083 -2.7083 -2.6639 -2.6639 -1.9841 -1.9841 -1.8825 -1.8825 -1.8612 -1.8612 -1.7512 -1.7512 -1.6644 -1.6644 -1.6191 -1.6191 -1.3795 -1.3795 -1.3546 -1.3546 -1.2189 -1.2189 4.9861 4.9861 5.2371 5.2371 5.2673 5.2673 6.4922 6.4922 6.6168 6.6168 6.6687 6.6687 6.7749 6.7749 k = 0.2179-0.1258 0.1780 ( 11306 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1642 -21.1642 -20.9759 -20.9759 -20.9227 -20.9227 -20.7004 -20.7004 -20.5983 -20.5983 -20.5694 -20.5694 -4.3089 -4.3089 -4.2957 -4.2957 -3.7812 -3.7812 -3.4242 -3.4242 -3.1831 -3.1831 -3.1639 -3.1639 -2.9663 -2.9663 -2.7007 -2.7007 -2.6563 -2.6563 -2.0121 -2.0121 -1.9023 -1.9023 -1.8801 -1.8801 -1.7554 -1.7554 -1.6653 -1.6653 -1.6202 -1.6202 -1.3986 -1.3986 -1.3736 -1.3736 -1.2192 -1.2192 4.9875 4.9875 5.2642 5.2642 5.2939 5.2939 6.4930 6.4930 6.5974 6.5974 6.6505 6.6505 6.8011 6.8011 k = 0.2308-0.1332 0.1884 ( 11298 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1608 -21.1608 -20.9757 -20.9757 -20.9219 -20.9219 -20.7044 -20.7044 -20.5988 -20.5988 -20.5696 -20.5696 -4.3190 -4.3190 -4.2960 -4.2960 -3.7571 -3.7571 -3.4259 -3.4259 -3.1576 -3.1576 -3.1382 -3.1382 -2.9657 -2.9657 -2.6925 -2.6925 -2.6483 -2.6483 -2.0390 -2.0390 -1.9225 -1.9225 -1.8995 -1.8995 -1.7596 -1.7596 -1.6660 -1.6660 -1.6212 -1.6212 -1.4189 -1.4189 -1.3936 -1.3936 -1.2195 -1.2195 4.9890 4.9890 5.2910 5.2910 5.3202 5.3202 6.4937 6.4937 6.5785 6.5785 6.6328 6.6328 6.8261 6.8261 k = 0.2436-0.1406 0.1989 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1576 -21.1576 -20.9756 -20.9756 -20.9228 -20.9228 -20.7064 -20.7064 -20.5992 -20.5992 -20.5698 -20.5698 -4.3302 -4.3302 -4.2962 -4.2962 -3.7394 -3.7394 -3.4276 -3.4276 -3.1312 -3.1312 -3.1116 -3.1116 -2.9575 -2.9575 -2.6836 -2.6836 -2.6397 -2.6397 -2.0646 -2.0646 -1.9431 -1.9431 -1.9192 -1.9192 -1.7638 -1.7638 -1.6667 -1.6667 -1.6221 -1.6221 -1.4403 -1.4403 -1.4148 -1.4148 -1.2197 -1.2197 4.9904 4.9904 5.3172 5.3172 5.3459 5.3459 6.4943 6.4943 6.5604 6.5604 6.6159 6.6159 6.8426 6.8426 k = 0.2564-0.1480 0.2094 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1546 -21.1546 -20.9754 -20.9754 -20.9255 -20.9255 -20.7064 -20.7064 -20.5996 -20.5996 -20.5700 -20.5700 -4.3427 -4.3427 -4.2964 -4.2964 -3.7287 -3.7287 -3.4293 -3.4293 -3.1041 -3.1041 -3.0843 -3.0843 -2.9410 -2.9410 -2.6740 -2.6740 -2.6307 -2.6307 -2.0888 -2.0888 -1.9638 -1.9638 -1.9392 -1.9392 -1.7680 -1.7680 -1.6672 -1.6672 -1.6230 -1.6230 -1.4628 -1.4628 -1.4370 -1.4370 -1.2200 -1.2200 4.9918 4.9918 5.3425 5.3425 5.3707 5.3707 6.4949 6.4949 6.5433 6.5433 6.6001 6.6001 6.8402 6.8402 k = 0.2692-0.1554 0.2198 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1518 -21.1518 -20.9753 -20.9753 -20.9299 -20.9299 -20.7043 -20.7043 -20.5999 -20.5999 -20.5702 -20.5702 -4.3563 -4.3563 -4.2967 -4.2967 -3.7247 -3.7247 -3.4310 -3.4310 -3.0764 -3.0764 -3.0564 -3.0564 -2.9165 -2.9165 -2.6638 -2.6638 -2.6211 -2.6211 -2.1117 -2.1117 -1.9844 -1.9844 -1.9591 -1.9591 -1.7721 -1.7721 -1.6678 -1.6678 -1.6239 -1.6239 -1.4864 -1.4864 -1.4602 -1.4602 -1.2202 -1.2202 4.9933 4.9933 5.3667 5.3667 5.3942 5.3942 6.4954 6.4954 6.5275 6.5275 6.5857 6.5857 6.8379 6.8379 k = 0.2821-0.1628 0.2303 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1493 -21.1493 -20.9751 -20.9751 -20.9360 -20.9360 -20.7004 -20.7004 -20.6002 -20.6002 -20.5704 -20.5704 -4.3710 -4.3710 -4.2969 -4.2969 -3.7268 -3.7268 -3.4327 -3.4327 -3.0481 -3.0481 -3.0280 -3.0280 -2.8847 -2.8847 -2.6529 -2.6529 -2.6111 -2.6111 -2.1330 -2.1330 -2.0048 -2.0048 -1.9789 -1.9789 -1.7762 -1.7762 -1.6683 -1.6683 -1.6250 -1.6250 -1.5109 -1.5109 -1.4842 -1.4842 -1.2205 -1.2205 4.9947 4.9947 5.3894 5.3894 5.4164 5.4164 6.4956 6.4956 6.5132 6.5132 6.5727 6.5727 6.8357 6.8357 k = 0.2949-0.1702 0.2408 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1470 -21.1470 -20.9750 -20.9750 -20.9434 -20.9434 -20.6949 -20.6949 -20.6004 -20.6004 -20.5706 -20.5706 -4.3870 -4.3870 -4.2972 -4.2972 -3.7338 -3.7338 -3.4344 -3.4344 -3.0196 -3.0196 -2.9993 -2.9993 -2.8470 -2.8470 -2.6413 -2.6413 -2.6006 -2.6006 -2.1530 -2.1530 -2.0248 -2.0248 -1.9983 -1.9983 -1.7802 -1.7802 -1.6690 -1.6690 -1.6264 -1.6264 -1.5364 -1.5364 -1.5089 -1.5089 -1.2207 -1.2207 4.9960 4.9960 5.4106 5.4106 5.4370 5.4370 6.4957 6.4957 6.5004 6.5004 6.5616 6.5616 6.8335 6.8336 k = 0.3077-0.1776 0.2512 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4355 -29.4355 -21.1449 -21.1449 -20.9748 -20.9748 -20.9518 -20.9518 -20.6881 -20.6881 -20.6005 -20.6005 -20.5707 -20.5707 -4.4039 -4.4039 -4.2974 -4.2974 -3.7444 -3.7444 -3.4360 -3.4360 -2.9908 -2.9908 -2.9704 -2.9704 -2.8047 -2.8047 -2.6290 -2.6290 -2.5898 -2.5898 -2.1715 -2.1715 -2.0442 -2.0442 -2.0171 -2.0171 -1.7841 -1.7841 -1.6700 -1.6700 -1.6284 -1.6284 -1.5625 -1.5625 -1.5339 -1.5339 -1.2209 -1.2209 4.9973 4.9973 5.4300 5.4300 5.4558 5.4558 6.4894 6.4894 6.4956 6.4956 6.5523 6.5523 6.8316 6.8316 k = 0.3205-0.1850 0.2617 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1430 -21.1430 -20.9747 -20.9747 -20.9609 -20.9609 -20.6805 -20.6805 -20.6006 -20.6006 -20.5709 -20.5709 -4.4218 -4.4218 -4.2976 -4.2976 -3.7573 -3.7573 -3.4376 -3.4376 -2.9621 -2.9621 -2.9415 -2.9415 -2.7597 -2.7597 -2.6158 -2.6158 -2.5787 -2.5787 -2.1887 -2.1887 -2.0627 -2.0627 -2.0349 -2.0349 -1.7878 -1.7878 -1.6715 -1.6715 -1.6317 -1.6317 -1.5889 -1.5889 -1.5584 -1.5584 -1.2211 -1.2211 4.9986 4.9986 5.4474 5.4474 5.4728 5.4728 6.4801 6.4801 6.4952 6.4952 6.5449 6.5449 6.8297 6.8297 k = 0.3333-0.1925 0.2722 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1413 -21.1413 -20.9745 -20.9745 -20.9703 -20.9703 -20.6723 -20.6723 -20.6005 -20.6005 -20.5711 -20.5711 -4.4404 -4.4404 -4.2979 -4.2979 -3.7715 -3.7715 -3.4391 -3.4391 -2.9336 -2.9336 -2.9128 -2.9128 -2.7136 -2.7136 -2.6014 -2.6014 -2.5674 -2.5674 -2.2044 -2.2044 -2.0800 -2.0800 -2.0517 -2.0517 -1.7915 -1.7915 -1.6746 -1.6746 -1.6381 -1.6381 -1.6147 -1.6147 -1.5807 -1.5807 -1.2213 -1.2213 4.9999 4.9999 5.4630 5.4630 5.4878 5.4878 6.4726 6.4726 6.4947 6.4947 6.5394 6.5394 6.8279 6.8279 k = 0.3462-0.1999 0.2826 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1398 -21.1398 -20.9799 -20.9799 -20.9744 -20.9744 -20.6639 -20.6639 -20.6004 -20.6004 -20.5713 -20.5713 -4.4595 -4.4595 -4.2981 -4.2981 -3.7861 -3.7861 -3.4406 -3.4406 -2.9055 -2.9055 -2.8845 -2.8845 -2.6690 -2.6690 -2.5849 -2.5849 -2.5563 -2.5563 -2.2188 -2.2188 -2.0958 -2.0958 -2.0669 -2.0669 -1.7949 -1.7949 -1.6818 -1.6818 -1.6509 -1.6509 -1.6371 -1.6371 -1.5974 -1.5974 -1.2215 -1.2215 5.0010 5.0010 5.4765 5.4765 5.5009 5.5009 6.4669 6.4669 6.4940 6.4940 6.5357 6.5357 6.8263 6.8263 k = 0.3590-0.2073 0.2931 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1385 -21.1385 -20.9893 -20.9893 -20.9743 -20.9743 -20.6556 -20.6556 -20.6001 -20.6001 -20.5714 -20.5714 -4.4787 -4.4787 -4.2983 -4.2983 -3.8005 -3.8005 -3.4420 -3.4420 -2.8779 -2.8779 -2.8568 -2.8568 -2.6296 -2.6296 -2.5637 -2.5637 -2.5455 -2.5455 -2.2319 -2.2319 -2.1097 -2.1097 -2.0802 -2.0802 -1.7981 -1.7981 -1.6980 -1.6980 -1.6717 -1.6717 -1.6511 -1.6511 -1.6068 -1.6068 -1.2216 -1.2216 5.0021 5.0021 5.4881 5.4881 5.5120 5.5120 6.4628 6.4628 6.4934 6.4934 6.5334 6.5334 6.8247 6.8247 k = 0.3718-0.2147 0.3036 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4355 -29.4355 -21.1374 -21.1374 -20.9984 -20.9984 -20.9742 -20.9742 -20.6475 -20.6475 -20.5996 -20.5996 -20.5716 -20.5716 -4.4979 -4.4979 -4.2985 -4.2985 -3.8142 -3.8142 -3.4433 -3.4433 -2.8512 -2.8512 -2.8298 -2.8298 -2.6004 -2.6004 -2.5353 -2.5353 -2.5342 -2.5342 -2.2436 -2.2436 -2.1213 -2.1213 -2.0912 -2.0912 -1.8012 -1.8012 -1.7229 -1.7229 -1.6978 -1.6978 -1.6572 -1.6572 -1.6114 -1.6114 -1.2218 -1.2218 5.0032 5.0032 5.4979 5.4979 5.5214 5.5214 6.4601 6.4601 6.4930 6.4930 6.5323 6.5323 6.8233 6.8233 k = 0.3846-0.2221 0.3140 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4355 -29.4355 -21.1365 -21.1365 -21.0070 -21.0070 -20.9740 -20.9740 -20.6400 -20.6400 -20.5989 -20.5989 -20.5717 -20.5717 -4.5165 -4.5165 -4.2986 -4.2986 -3.8269 -3.8269 -3.4445 -3.4445 -2.8254 -2.8254 -2.8037 -2.8037 -2.5813 -2.5813 -2.5261 -2.5261 -2.4979 -2.4979 -2.2539 -2.2539 -2.1300 -2.1300 -2.0993 -2.0993 -1.8040 -1.8040 -1.7517 -1.7517 -1.7266 -1.7266 -1.6598 -1.6598 -1.6138 -1.6138 -1.2219 -1.2219 5.0041 5.0041 5.5059 5.5059 5.5291 5.5291 6.4588 6.4588 6.4928 6.4928 6.5321 6.5321 6.8221 6.8221 k = 0.3974-0.2295 0.3245 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4355 -29.4355 -21.1357 -21.1357 -21.0150 -21.0150 -20.9739 -20.9739 -20.6333 -20.6333 -20.5979 -20.5979 -20.5718 -20.5718 -4.5343 -4.5343 -4.2988 -4.2988 -3.8384 -3.8384 -3.4456 -3.4456 -2.8007 -2.8007 -2.7788 -2.7788 -2.5683 -2.5683 -2.5184 -2.5184 -2.4600 -2.4600 -2.2628 -2.2628 -2.1354 -2.1354 -2.1040 -2.1040 -1.8066 -1.8066 -1.7822 -1.7822 -1.7567 -1.7567 -1.6611 -1.6611 -1.6153 -1.6153 -1.2220 -1.2220 5.0050 5.0050 5.5124 5.5124 5.5353 5.5353 6.4584 6.4584 6.4929 6.4929 6.5326 6.5326 6.8209 6.8209 k = 0.4103-0.2369 0.3350 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4358 -29.4358 -29.4355 -29.4355 -21.1351 -21.1351 -21.0222 -21.0222 -20.9739 -20.9739 -20.6276 -20.6276 -20.5964 -20.5964 -20.5719 -20.5719 -4.5510 -4.5510 -4.2989 -4.2989 -3.8485 -3.8485 -3.4466 -3.4466 -2.7774 -2.7774 -2.7553 -2.7553 -2.5592 -2.5592 -2.5125 -2.5125 -2.4239 -2.4239 -2.2700 -2.2700 -2.1369 -2.1369 -2.1050 -2.1050 -1.8134 -1.8134 -1.8091 -1.8091 -1.7874 -1.7874 -1.6618 -1.6618 -1.6161 -1.6161 -1.2221 -1.2221 5.0058 5.0058 5.5175 5.5175 5.5401 5.5401 6.4589 6.4589 6.4932 6.4932 6.5335 6.5335 6.8199 6.8199 k = 0.4231-0.2443 0.3454 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4358 -29.4358 -29.4355 -29.4355 -21.1346 -21.1346 -21.0286 -21.0286 -20.9738 -20.9738 -20.6231 -20.6231 -20.5946 -20.5946 -20.5720 -20.5720 -4.5661 -4.5661 -4.2990 -4.2990 -3.8573 -3.8573 -3.4474 -3.4474 -2.7556 -2.7556 -2.7334 -2.7334 -2.5533 -2.5533 -2.5087 -2.5087 -2.3916 -2.3916 -2.2754 -2.2754 -2.1343 -2.1343 -2.1019 -2.1019 -1.8449 -1.8449 -1.8197 -1.8197 -1.8101 -1.8101 -1.6623 -1.6623 -1.6167 -1.6167 -1.2222 -1.2222 5.0065 5.0065 5.5214 5.5214 5.5439 5.5439 6.4599 6.4599 6.4937 6.4937 6.5347 6.5347 6.8190 6.8190 k = 0.4359-0.2517 0.3559 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4358 -29.4358 -29.4355 -29.4355 -21.1342 -21.1342 -21.0341 -21.0341 -20.9737 -20.9737 -20.6197 -20.6197 -20.5924 -20.5924 -20.5721 -20.5721 -4.5795 -4.5795 -4.2992 -4.2992 -3.8647 -3.8647 -3.4482 -3.4482 -2.7357 -2.7357 -2.7134 -2.7134 -2.5502 -2.5502 -2.5069 -2.5069 -2.3647 -2.3647 -2.2784 -2.2784 -2.1274 -2.1274 -2.0945 -2.0945 -1.8763 -1.8763 -1.8504 -1.8504 -1.8123 -1.8123 -1.6626 -1.6626 -1.6171 -1.6171 -1.2223 -1.2223 5.0071 5.0071 5.5244 5.5244 5.5467 5.5467 6.4612 6.4612 6.4942 6.4942 6.5361 6.5361 6.8183 6.8183 k = 0.4487-0.2591 0.3664 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1339 -21.1339 -21.0387 -21.0387 -20.9737 -20.9737 -20.6173 -20.6173 -20.5901 -20.5901 -20.5722 -20.5722 -4.5908 -4.5908 -4.2992 -4.2992 -3.8707 -3.8707 -3.4488 -3.4488 -2.7179 -2.7179 -2.6957 -2.6957 -2.5494 -2.5494 -2.5070 -2.5070 -2.3446 -2.3446 -2.2781 -2.2781 -2.1165 -2.1165 -2.0829 -2.0829 -1.9072 -1.9072 -1.8812 -1.8812 -1.8138 -1.8138 -1.6628 -1.6628 -1.6174 -1.6174 -1.2224 -1.2224 5.0075 5.0075 5.5265 5.5265 5.5487 5.5487 6.4626 6.4626 6.4947 6.4947 6.5374 6.5374 6.8177 6.8177 k = 0.4615-0.2665 0.3768 ( 11294 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1338 -21.1338 -21.0423 -21.0423 -20.9736 -20.9736 -20.6157 -20.6157 -20.5879 -20.5879 -20.5722 -20.5722 -4.5998 -4.5998 -4.2993 -4.2993 -3.8753 -3.8753 -3.4493 -3.4493 -2.7027 -2.7027 -2.6808 -2.6808 -2.5504 -2.5504 -2.5085 -2.5085 -2.3321 -2.3321 -2.2743 -2.2743 -2.1018 -2.1018 -2.0676 -2.0676 -1.9371 -1.9371 -1.9114 -1.9114 -1.8150 -1.8150 -1.6629 -1.6629 -1.6176 -1.6176 -1.2224 -1.2224 5.0079 5.0079 5.5280 5.5280 5.5501 5.5501 6.4639 6.4639 6.4951 6.4951 6.5386 6.5386 6.8116 6.8116 k = 0.4744-0.2739 0.3873 ( 11294 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1337 -21.1337 -21.0449 -21.0449 -20.9736 -20.9736 -20.6148 -20.6148 -20.5862 -20.5862 -20.5723 -20.5723 -4.6064 -4.6064 -4.2994 -4.2994 -3.8786 -3.8786 -3.4496 -3.4496 -2.6909 -2.6909 -2.6693 -2.6693 -2.5523 -2.5523 -2.5106 -2.5106 -2.3259 -2.3259 -2.2686 -2.2686 -2.0846 -2.0846 -2.0492 -2.0492 -1.9652 -1.9652 -1.9403 -1.9403 -1.8158 -1.8158 -1.6629 -1.6629 -1.6177 -1.6177 -1.2225 -1.2225 5.0082 5.0082 5.5290 5.5290 5.5510 5.5510 6.4649 6.4649 6.4955 6.4955 6.5395 6.5395 6.8042 6.8042 k = 0.4872-0.2813 0.3978 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1336 -21.1336 -21.0464 -21.0464 -20.9736 -20.9736 -20.6142 -20.6142 -20.5852 -20.5852 -20.5723 -20.5723 -4.6103 -4.6103 -4.2994 -4.2994 -3.8806 -3.8806 -3.4498 -3.4498 -2.6833 -2.6833 -2.6619 -2.6619 -2.5541 -2.5541 -2.5123 -2.5123 -2.3234 -2.3234 -2.2639 -2.2639 -2.0673 -2.0673 -2.0292 -2.0292 -1.9889 -1.9889 -1.9665 -1.9665 -1.8163 -1.8163 -1.6630 -1.6630 -1.6178 -1.6178 -1.2225 -1.2225 5.0084 5.0084 5.5295 5.5295 5.5515 5.5515 6.4656 6.4656 6.4957 6.4957 6.5401 6.5401 6.7997 6.7997 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1336 -21.1336 -21.0470 -21.0470 -20.9736 -20.9736 -20.6141 -20.6141 -20.5848 -20.5848 -20.5723 -20.5723 -4.6117 -4.6117 -4.2994 -4.2994 -3.8812 -3.8812 -3.4499 -3.4499 -2.6807 -2.6807 -2.6594 -2.6594 -2.5549 -2.5549 -2.5130 -2.5130 -2.3227 -2.3227 -2.2621 -2.2621 -2.0582 -2.0582 -2.0164 -2.0164 -2.0001 -2.0001 -1.9813 -1.9813 -1.8164 -1.8164 -1.6630 -1.6630 -1.6178 -1.6178 -1.2225 -1.2225 5.0084 5.0084 5.5297 5.5297 5.5517 5.5517 6.4658 6.4658 6.4958 6.4958 6.5403 6.5403 6.7982 6.7982 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1336 -21.1336 -21.0470 -21.0470 -20.9736 -20.9736 -20.6141 -20.6141 -20.5848 -20.5848 -20.5723 -20.5723 -4.6117 -4.6117 -4.2994 -4.2994 -3.8812 -3.8812 -3.4499 -3.4499 -2.6807 -2.6807 -2.6594 -2.6594 -2.5549 -2.5549 -2.5130 -2.5130 -2.3227 -2.3227 -2.2621 -2.2621 -2.0582 -2.0582 -2.0164 -2.0164 -2.0001 -2.0001 -1.9813 -1.9813 -1.8164 -1.8164 -1.6630 -1.6630 -1.6178 -1.6178 -1.2225 -1.2225 5.0084 5.0084 5.5297 5.5297 5.5517 5.5517 6.4658 6.4658 6.4958 6.4958 6.5403 6.5403 6.7982 6.7982 k = 0.5000-0.2742 0.4185 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1332 -21.1332 -21.0470 -21.0470 -20.9734 -20.9734 -20.6142 -20.6142 -20.5849 -20.5849 -20.5726 -20.5726 -4.6110 -4.6110 -4.2986 -4.2986 -3.8807 -3.8807 -3.4491 -3.4491 -2.6820 -2.6820 -2.6606 -2.6606 -2.5556 -2.5556 -2.5137 -2.5137 -2.3209 -2.3209 -2.2634 -2.2634 -2.0580 -2.0580 -2.0163 -2.0163 -2.0000 -2.0000 -1.9814 -1.9814 -1.8142 -1.8142 -1.6640 -1.6640 -1.6189 -1.6189 -1.2230 -1.2230 5.0097 5.0097 5.5297 5.5297 5.5517 5.5517 6.4656 6.4656 6.4970 6.4970 6.5407 6.5407 6.7983 6.7983 k = 0.5000-0.2598 0.4287 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1322 -21.1322 -21.0471 -21.0471 -20.9728 -20.9728 -20.6148 -20.6148 -20.5851 -20.5851 -20.5734 -20.5734 -4.6091 -4.6091 -4.2964 -4.2964 -3.8793 -3.8793 -3.4466 -3.4466 -2.6867 -2.6867 -2.6634 -2.6634 -2.5582 -2.5582 -2.5156 -2.5156 -2.3155 -2.3155 -2.2672 -2.2672 -2.0577 -2.0577 -2.0160 -2.0160 -1.9998 -1.9998 -1.9817 -1.9817 -1.8075 -1.8075 -1.6671 -1.6671 -1.6222 -1.6222 -1.2245 -1.2245 5.0134 5.0134 5.5296 5.5296 5.5515 5.5515 6.4651 6.4651 6.5003 6.5003 6.5419 6.5419 6.7988 6.7988 k = 0.5000-0.2454 0.4389 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1305 -21.1305 -21.0473 -21.0473 -20.9719 -20.9719 -20.6158 -20.6158 -20.5855 -20.5855 -20.5746 -20.5746 -4.6060 -4.6060 -4.2925 -4.2925 -3.8767 -3.8767 -3.4425 -3.4425 -2.6963 -2.6963 -2.6658 -2.6658 -2.5631 -2.5631 -2.5180 -2.5180 -2.3071 -2.3071 -2.2732 -2.2732 -2.0571 -2.0571 -2.0153 -2.0153 -1.9993 -1.9993 -1.9822 -1.9822 -1.7968 -1.7968 -1.6723 -1.6723 -1.6275 -1.6275 -1.2270 -1.2270 5.0195 5.0195 5.5294 5.5294 5.5513 5.5513 6.4643 6.4643 6.5051 6.5051 6.5445 6.5445 6.7996 6.7996 k = 0.5000-0.2309 0.4491 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1282 -21.1282 -21.0475 -21.0475 -20.9705 -20.9705 -20.6174 -20.6174 -20.5863 -20.5863 -20.5760 -20.5760 -4.6018 -4.6018 -4.2872 -4.2872 -3.8731 -3.8731 -3.4367 -3.4367 -2.7106 -2.7106 -2.6673 -2.6673 -2.5713 -2.5713 -2.5202 -2.5202 -2.2971 -2.2971 -2.2801 -2.2801 -2.0564 -2.0564 -2.0144 -2.0144 -1.9987 -1.9987 -1.9825 -1.9825 -1.7826 -1.7826 -1.6796 -1.6796 -1.6347 -1.6347 -1.2306 -1.2306 5.0280 5.0280 5.5290 5.5290 5.5510 5.5510 6.4633 6.4633 6.5099 6.5099 6.5498 6.5498 6.8024 6.8024 k = 0.5000-0.2165 0.4593 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1253 -21.1253 -21.0478 -21.0478 -20.9688 -20.9688 -20.6196 -20.6196 -20.5873 -20.5873 -20.5774 -20.5774 -4.5968 -4.5968 -4.2804 -4.2804 -3.8683 -3.8683 -3.4294 -3.4294 -2.7289 -2.7289 -2.6682 -2.6682 -2.5832 -2.5832 -2.5215 -2.5215 -2.2947 -2.2947 -2.2789 -2.2789 -2.0556 -2.0556 -2.0131 -2.0131 -1.9979 -1.9979 -1.9828 -1.9828 -1.7656 -1.7656 -1.6889 -1.6889 -1.6433 -1.6433 -1.2351 -1.2351 5.0388 5.0388 5.5284 5.5284 5.5504 5.5504 6.4620 6.4620 6.5135 6.5135 6.5586 6.5586 6.7946 6.7946 k = 0.5000-0.2021 0.4695 ( 11280 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1219 -21.1219 -21.0482 -21.0482 -20.9667 -20.9667 -20.6227 -20.6227 -20.5886 -20.5886 -20.5786 -20.5786 -4.5912 -4.5912 -4.2722 -4.2722 -3.8622 -3.8622 -3.4205 -3.4205 -2.7503 -2.7503 -2.6687 -2.6687 -2.5991 -2.5991 -2.5218 -2.5218 -2.3040 -2.3040 -2.2656 -2.2656 -2.0548 -2.0548 -2.0113 -2.0113 -1.9968 -1.9968 -1.9828 -1.9828 -1.7463 -1.7463 -1.7001 -1.7001 -1.6533 -1.6533 -1.2407 -1.2407 5.0518 5.0518 5.5274 5.5274 5.5497 5.5497 6.4606 6.4606 6.5156 6.5156 6.5711 6.5711 6.7852 6.7852 k = 0.5000-0.1876 0.4797 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1181 -21.1181 -21.0487 -21.0487 -20.9641 -20.9641 -20.6267 -20.6267 -20.5902 -20.5902 -20.5794 -20.5794 -4.5852 -4.5852 -4.2627 -4.2627 -3.8546 -3.8546 -3.4099 -3.4099 -2.7740 -2.7740 -2.6690 -2.6690 -2.6186 -2.6186 -2.5212 -2.5212 -2.3152 -2.3152 -2.2501 -2.2501 -2.0540 -2.0540 -2.0089 -2.0089 -1.9956 -1.9956 -1.9823 -1.9823 -1.7254 -1.7254 -1.7130 -1.7130 -1.6643 -1.6643 -1.2472 -1.2472 5.0668 5.0668 5.5259 5.5259 5.5487 5.5487 6.4592 6.4592 6.5164 6.5164 6.5863 6.5863 6.7744 6.7744 k = 0.5000-0.1732 0.4899 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1139 -21.1139 -21.0493 -21.0493 -20.9610 -20.9610 -20.6318 -20.6318 -20.5917 -20.5917 -20.5800 -20.5800 -4.5790 -4.5790 -4.2521 -4.2521 -3.8454 -3.8454 -3.3979 -3.3979 -2.7995 -2.7995 -2.6692 -2.6692 -2.6415 -2.6415 -2.5199 -2.5199 -2.3270 -2.3270 -2.2337 -2.2337 -2.0535 -2.0535 -2.0059 -2.0059 -1.9944 -1.9944 -1.9812 -1.9812 -1.7275 -1.7275 -1.7036 -1.7036 -1.6759 -1.6759 -1.2548 -1.2548 5.0838 5.0838 5.5237 5.5237 5.5476 5.5476 6.4580 6.4580 6.5165 6.5165 6.6033 6.6033 6.7623 6.7623 k = 0.5000-0.1588 0.5001 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1095 -21.1095 -21.0499 -21.0499 -20.9576 -20.9576 -20.6378 -20.6378 -20.5930 -20.5930 -20.5805 -20.5805 -4.5730 -4.5730 -4.2406 -4.2406 -3.8346 -3.8346 -3.3843 -3.3843 -2.8265 -2.8265 -2.6693 -2.6693 -2.6673 -2.6673 -2.5180 -2.5180 -2.3390 -2.3390 -2.2169 -2.2169 -2.0532 -2.0532 -2.0023 -2.0023 -1.9933 -1.9933 -1.9793 -1.9793 -1.7430 -1.7430 -1.6926 -1.6926 -1.6766 -1.6766 -1.2634 -1.2634 5.1026 5.1026 5.5204 5.5204 5.5465 5.5465 6.4570 6.4570 6.5163 6.5163 6.6209 6.6209 6.7490 6.7490 k = 0.5000-0.1443 0.5103 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1050 -21.1050 -21.0507 -21.0507 -20.9536 -20.9536 -20.6446 -20.6446 -20.5942 -20.5942 -20.5808 -20.5808 -4.5672 -4.5672 -4.2287 -4.2287 -3.8219 -3.8219 -3.3692 -3.3692 -2.8546 -2.8546 -2.6958 -2.6958 -2.6694 -2.6694 -2.5156 -2.5156 -2.3510 -2.3510 -2.2001 -2.2001 -2.0532 -2.0532 -1.9980 -1.9980 -1.9925 -1.9925 -1.9762 -1.9762 -1.7592 -1.7592 -1.7048 -1.7048 -1.6544 -1.6544 -1.2730 -1.2730 5.1231 5.1231 5.5156 5.5156 5.5454 5.5454 6.4566 6.4566 6.5160 6.5160 6.6385 6.6385 6.7347 6.7347 k = 0.5000-0.1299 0.5205 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4357 -29.4357 -21.1004 -21.1004 -21.0515 -21.0515 -20.9493 -20.9493 -20.6522 -20.6522 -20.5951 -20.5951 -20.5810 -20.5810 -4.5618 -4.5618 -4.2166 -4.2166 -3.8074 -3.8074 -3.3527 -3.3527 -2.8835 -2.8835 -2.7262 -2.7262 -2.6695 -2.6695 -2.5127 -2.5127 -2.3626 -2.3626 -2.1835 -2.1835 -2.0535 -2.0535 -1.9930 -1.9930 -1.9917 -1.9917 -1.9719 -1.9719 -1.7759 -1.7759 -1.7193 -1.7193 -1.6303 -1.6303 -1.2837 -1.2837 5.1449 5.1449 5.5093 5.5093 5.5445 5.5445 6.4569 6.4569 6.5157 6.5157 6.6551 6.6551 6.7197 6.7197 k = 0.5000-0.1155 0.5307 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0958 -21.0958 -21.0525 -21.0525 -20.9447 -20.9447 -20.6601 -20.6601 -20.5958 -20.5958 -20.5811 -20.5811 -4.5568 -4.5568 -4.2047 -4.2047 -3.7912 -3.7912 -3.3347 -3.3347 -2.9129 -2.9129 -2.7581 -2.7581 -2.6695 -2.6695 -2.5095 -2.5095 -2.3739 -2.3739 -2.1676 -2.1676 -2.0543 -2.0543 -1.9916 -1.9916 -1.9870 -1.9870 -1.9663 -1.9663 -1.7928 -1.7928 -1.7346 -1.7346 -1.6060 -1.6060 -1.2954 -1.2954 5.1679 5.1679 5.5011 5.5011 5.5437 5.5437 6.4579 6.4579 6.5156 6.5156 6.6698 6.6698 6.7046 6.7046 k = 0.5000-0.1010 0.5409 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0914 -21.0914 -21.0535 -21.0535 -20.9398 -20.9398 -20.6682 -20.6682 -20.5963 -20.5963 -20.5813 -20.5813 -4.5525 -4.5525 -4.1935 -4.1935 -3.7735 -3.7735 -3.3155 -3.3155 -2.9427 -2.9427 -2.7906 -2.7906 -2.6696 -2.6696 -2.5060 -2.5060 -2.3846 -2.3846 -2.1524 -2.1524 -2.0554 -2.0554 -1.9913 -1.9913 -1.9805 -1.9805 -1.9593 -1.9593 -1.8095 -1.8095 -1.7506 -1.7506 -1.5817 -1.5817 -1.3081 -1.3081 5.1920 5.1920 5.4910 5.4910 5.5432 5.5432 6.4598 6.4598 6.5158 6.5158 6.6790 6.6790 6.6928 6.6928 k = 0.5000-0.0866 0.5511 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0871 -21.0871 -21.0547 -21.0547 -20.9348 -20.9348 -20.6762 -20.6762 -20.5967 -20.5967 -20.5814 -20.5814 -4.5487 -4.5487 -4.1833 -4.1833 -3.7548 -3.7548 -3.2949 -3.2949 -2.9727 -2.9727 -2.8229 -2.8229 -2.6696 -2.6696 -2.5022 -2.5022 -2.3947 -2.3947 -2.1384 -2.1384 -2.0569 -2.0569 -1.9912 -1.9912 -1.9733 -1.9733 -1.9509 -1.9509 -1.8259 -1.8259 -1.7671 -1.7671 -1.5577 -1.5577 -1.3218 -1.3218 5.2167 5.2167 5.4788 5.4788 5.5427 5.5427 6.4625 6.4625 6.5163 6.5163 6.6692 6.6692 6.6978 6.6978 k = 0.5000-0.0722 0.5613 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0831 -21.0831 -21.0560 -21.0560 -20.9299 -20.9299 -20.6838 -20.6838 -20.5971 -20.5971 -20.5815 -20.5815 -4.5456 -4.5456 -4.1744 -4.1744 -3.7359 -3.7359 -3.2730 -3.2730 -3.0027 -3.0027 -2.8537 -2.8537 -2.6696 -2.6696 -2.4982 -2.4982 -2.4041 -2.4041 -2.1256 -2.1256 -2.0588 -2.0588 -1.9911 -1.9911 -1.9653 -1.9653 -1.9410 -1.9410 -1.8419 -1.8419 -1.7840 -1.7840 -1.5340 -1.5340 -1.3365 -1.3365 5.2420 5.2420 5.4646 5.4646 5.5424 5.5424 6.4659 6.4659 6.5173 6.5173 6.6542 6.6542 6.7062 6.7062 k = 0.5000-0.0577 0.5715 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0794 -21.0794 -21.0575 -21.0575 -20.9253 -20.9253 -20.6907 -20.6907 -20.5973 -20.5973 -20.5815 -20.5815 -4.5430 -4.5430 -4.1669 -4.1669 -3.7178 -3.7178 -3.2500 -3.2500 -3.0324 -3.0324 -2.8819 -2.8819 -2.6696 -2.6696 -2.4942 -2.4942 -2.4125 -2.4125 -2.1143 -2.1143 -2.0611 -2.0611 -1.9910 -1.9910 -1.9566 -1.9566 -1.9297 -1.9297 -1.8572 -1.8572 -1.8012 -1.8012 -1.5108 -1.5108 -1.3522 -1.3522 5.2675 5.2675 5.4485 5.4485 5.5422 5.5422 6.4696 6.4696 6.5188 6.5188 6.6394 6.6394 6.7131 6.7131 k = 0.5000-0.0433 0.5818 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4360 -29.4360 -29.4357 -29.4357 -21.0761 -21.0761 -21.0590 -21.0590 -20.9213 -20.9213 -20.6966 -20.6966 -20.5975 -20.5975 -20.5816 -20.5816 -4.5410 -4.5410 -4.1611 -4.1611 -3.7016 -3.7016 -3.2260 -3.2260 -3.0619 -3.0619 -2.9061 -2.9061 -2.6696 -2.6696 -2.4904 -2.4904 -2.4198 -2.4198 -2.1046 -2.1046 -2.0637 -2.0637 -1.9910 -1.9910 -1.9471 -1.9471 -1.9173 -1.9173 -1.8716 -1.8716 -1.8185 -1.8185 -1.4882 -1.4882 -1.3689 -1.3689 5.2929 5.2929 5.4305 5.4305 5.5421 5.5421 6.4732 6.4732 6.5210 6.5210 6.6260 6.6260 6.7182 6.7182 k = 0.5000-0.0289 0.5920 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0732 -21.0732 -21.0606 -21.0606 -20.9182 -20.9182 -20.7010 -20.7010 -20.5976 -20.5976 -20.5816 -20.5816 -4.5396 -4.5396 -4.1568 -4.1568 -3.6888 -3.6888 -3.2009 -3.2009 -3.0908 -3.0908 -2.9248 -2.9248 -2.6696 -2.6696 -2.4871 -2.4871 -2.4256 -2.4256 -2.0966 -2.0966 -2.0667 -2.0667 -1.9909 -1.9909 -1.9369 -1.9369 -1.9047 -1.9047 -1.8844 -1.8844 -1.8355 -1.8355 -1.4663 -1.4663 -1.3865 -1.3865 5.3180 5.3180 5.4109 5.4109 5.5420 5.5420 6.4762 6.4762 6.5235 6.5235 6.6148 6.6148 6.7218 6.7218 k = 0.5000-0.0144 0.6022 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0710 -21.0710 -21.0620 -21.0620 -20.9162 -20.9162 -20.7038 -20.7038 -20.5977 -20.5977 -20.5816 -20.5816 -4.5388 -4.5388 -4.1543 -4.1543 -3.6805 -3.6805 -3.1751 -3.1751 -3.1189 -3.1189 -2.9366 -2.9366 -2.6696 -2.6696 -2.4847 -2.4847 -2.4294 -2.4294 -2.0908 -2.0908 -2.0694 -2.0694 -1.9909 -1.9909 -1.9263 -1.9263 -1.9024 -1.9024 -1.8853 -1.8853 -1.8519 -1.8519 -1.4452 -1.4452 -1.4050 -1.4050 5.3423 5.3423 5.3898 5.3898 5.5419 5.5419 6.4782 6.4782 6.5257 6.5257 6.6072 6.6072 6.7238 6.7238 k = 0.5000 0.0000 0.6124 ( 11320 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0701 -21.0701 -21.0627 -21.0627 -20.9155 -20.9155 -20.7048 -20.7048 -20.5977 -20.5977 -20.5816 -20.5816 -4.5385 -4.5385 -4.1534 -4.1534 -3.6776 -3.6776 -3.1535 -3.1535 -3.1413 -3.1413 -2.9406 -2.9406 -2.6696 -2.6696 -2.4839 -2.4839 -2.4308 -2.4308 -2.0885 -2.0885 -2.0708 -2.0708 -1.9909 -1.9909 -1.9180 -1.9180 -1.9101 -1.9101 -1.8763 -1.8763 -1.8629 -1.8629 -1.4276 -1.4276 -1.4217 -1.4217 5.3614 5.3614 5.3718 5.3718 5.5419 5.5419 6.4789 6.4789 6.5266 6.5266 6.6044 6.6044 6.7245 6.7245 k = 0.5000 0.0000 0.6124 ( 11320 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0701 -21.0701 -21.0627 -21.0627 -20.9155 -20.9155 -20.7048 -20.7048 -20.5977 -20.5977 -20.5816 -20.5816 -4.5385 -4.5385 -4.1534 -4.1534 -3.6776 -3.6776 -3.1535 -3.1535 -3.1413 -3.1413 -2.9406 -2.9406 -2.6696 -2.6696 -2.4839 -2.4839 -2.4308 -2.4308 -2.0885 -2.0885 -2.0708 -2.0708 -1.9909 -1.9909 -1.9180 -1.9180 -1.9101 -1.9101 -1.8763 -1.8763 -1.8629 -1.8629 -1.4276 -1.4276 -1.4217 -1.4217 5.3614 5.3614 5.3718 5.3718 5.5419 5.5419 6.4789 6.4789 6.5266 6.5266 6.6044 6.6044 6.7245 6.7245 k = 0.4911 0.0155 0.6124 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0704 -21.0704 -21.0623 -21.0623 -20.9158 -20.9158 -20.7043 -20.7043 -20.5978 -20.5978 -20.5817 -20.5817 -4.5381 -4.5381 -4.1536 -4.1536 -3.6790 -3.6790 -3.1673 -3.1673 -3.1267 -3.1267 -2.9386 -2.9386 -2.6706 -2.6706 -2.4849 -2.4849 -2.4305 -2.4305 -2.0909 -2.0909 -2.0707 -2.0707 -1.9887 -1.9887 -1.9239 -1.9239 -1.9092 -1.9092 -1.8815 -1.8815 -1.8517 -1.8517 -1.4394 -1.4394 -1.4105 -1.4105 5.3494 5.3494 5.3837 5.3837 5.5418 5.5418 6.4784 6.4784 6.5260 6.5260 6.6056 6.6056 6.7247 6.7247 k = 0.4821 0.0309 0.6124 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0709 -21.0709 -21.0615 -21.0615 -20.9168 -20.9168 -20.7030 -20.7030 -20.5981 -20.5981 -20.5821 -20.5821 -4.5368 -4.5368 -4.1540 -4.1540 -3.6832 -3.6832 -3.1846 -3.1846 -3.1070 -3.1070 -2.9327 -2.9327 -2.6736 -2.6736 -2.4882 -2.4882 -2.4294 -2.4294 -2.0976 -2.0976 -2.0694 -2.0694 -1.9845 -1.9845 -1.9318 -1.9318 -1.9116 -1.9116 -1.8885 -1.8885 -1.8308 -1.8308 -1.4541 -1.4541 -1.3974 -1.3974 5.3337 5.3337 5.3989 5.3989 5.5417 5.5417 6.4769 6.4769 6.5243 6.5243 6.6087 6.6087 6.7257 6.7257 k = 0.4732 0.0464 0.6124 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0714 -21.0714 -21.0605 -21.0605 -20.9184 -20.9184 -20.7008 -20.7008 -20.5987 -20.5987 -20.5827 -20.5827 -4.5347 -4.5347 -4.1546 -4.1546 -3.6898 -3.6898 -3.2008 -3.2008 -3.0868 -3.0868 -2.9231 -2.9231 -2.6784 -2.6784 -2.4939 -2.4939 -2.4274 -2.4274 -2.1061 -2.1061 -2.0672 -2.0672 -1.9817 -1.9817 -1.9393 -1.9393 -1.9150 -1.9150 -1.8924 -1.8924 -1.8085 -1.8085 -1.4691 -1.4691 -1.3850 -1.3850 5.3183 5.3183 5.4136 5.4136 5.5415 5.5415 6.4746 6.4746 6.5222 6.5222 6.6132 6.6132 6.7275 6.7275 k = 0.4643 0.0619 0.6124 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0717 -21.0717 -21.0595 -21.0595 -20.9205 -20.9205 -20.6978 -20.6978 -20.5995 -20.5995 -20.5834 -20.5834 -4.5320 -4.5320 -4.1554 -4.1554 -3.6985 -3.6985 -3.2158 -3.2158 -3.0662 -3.0662 -2.9101 -2.9101 -2.6849 -2.6849 -2.5020 -2.5020 -2.4248 -2.4248 -2.1146 -2.1146 -2.0647 -2.0647 -1.9831 -1.9831 -1.9466 -1.9466 -1.9182 -1.9182 -1.8913 -1.8913 -1.7866 -1.7866 -1.4845 -1.4845 -1.3735 -1.3735 5.3037 5.3037 5.4275 5.4275 5.5411 5.5411 6.4717 6.4717 6.5198 6.5198 6.6184 6.6184 6.7304 6.7304 k = 0.4554 0.0773 0.6124 ( 11265 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0718 -21.0718 -21.0586 -21.0586 -20.9229 -20.9229 -20.6942 -20.6942 -20.6006 -20.6006 -20.5843 -20.5843 -4.5287 -4.5287 -4.1564 -4.1564 -3.7087 -3.7087 -3.2295 -3.2295 -3.0456 -3.0456 -2.8942 -2.8942 -2.6929 -2.6929 -2.5121 -2.5121 -2.4218 -2.4218 -2.1220 -2.1220 -2.0619 -2.0619 -1.9888 -1.9888 -1.9539 -1.9539 -1.9213 -1.9213 -1.8844 -1.8844 -1.7659 -1.7659 -1.5000 -1.5000 -1.3628 -1.3628 5.2899 5.2899 5.4406 5.4406 5.5407 5.5407 6.4684 6.4684 6.5176 6.5176 6.6239 6.6239 6.7342 6.7342 k = 0.4464 0.0928 0.6124 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0717 -21.0717 -21.0577 -21.0577 -20.9256 -20.9256 -20.6901 -20.6901 -20.6021 -20.6021 -20.5852 -20.5852 -4.5250 -4.5250 -4.1574 -4.1574 -3.7198 -3.7198 -3.2417 -3.2417 -3.0249 -3.0249 -2.8760 -2.8760 -2.7023 -2.7023 -2.5240 -2.5240 -2.4190 -2.4190 -2.1277 -2.1277 -2.0591 -2.0591 -1.9976 -1.9976 -1.9613 -1.9613 -1.9247 -1.9247 -1.8732 -1.8732 -1.7468 -1.7468 -1.5156 -1.5156 -1.3531 -1.3531 5.2771 5.2771 5.4527 5.4527 5.5401 5.5401 6.4650 6.4650 6.5155 6.5155 6.6293 6.6293 6.7391 6.7391 k = 0.4375 0.1083 0.6124 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0714 -21.0714 -21.0570 -21.0570 -20.9284 -20.9284 -20.6857 -20.6857 -20.6039 -20.6039 -20.5860 -20.5860 -4.5211 -4.5211 -4.1585 -4.1585 -3.7313 -3.7313 -3.2526 -3.2526 -3.0044 -3.0044 -2.8560 -2.8560 -2.7129 -2.7129 -2.5373 -2.5373 -2.4165 -2.4165 -2.1315 -2.1315 -2.0563 -2.0563 -2.0080 -2.0080 -1.9685 -1.9685 -1.9281 -1.9281 -1.8596 -1.8596 -1.7296 -1.7296 -1.5311 -1.5311 -1.3445 -1.3445 5.2656 5.2656 5.4638 5.4638 5.5393 5.5393 6.4616 6.4616 6.5136 6.5136 6.6345 6.6345 6.7450 6.7450 k = 0.4286 0.1237 0.6124 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0710 -21.0710 -21.0563 -21.0563 -20.9311 -20.9311 -20.6810 -20.6810 -20.6061 -20.6061 -20.5868 -20.5868 -4.5171 -4.5171 -4.1597 -4.1597 -3.7425 -3.7425 -3.2621 -3.2621 -2.9843 -2.9843 -2.8348 -2.8348 -2.7245 -2.7245 -2.5518 -2.5518 -2.4146 -2.4146 -2.1331 -2.1331 -2.0537 -2.0537 -2.0188 -2.0188 -1.9755 -1.9755 -1.9313 -1.9313 -1.8448 -1.8448 -1.7143 -1.7143 -1.5464 -1.5464 -1.3369 -1.3369 5.2553 5.2553 5.4739 5.4739 5.5383 5.5383 6.4584 6.4584 6.5119 6.5119 6.6392 6.6392 6.7517 6.7517 k = 0.4196 0.1392 0.6124 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0706 -21.0706 -21.0558 -21.0558 -20.9337 -20.9337 -20.6763 -20.6763 -20.6086 -20.6086 -20.5874 -20.5874 -4.5133 -4.5133 -4.1607 -4.1607 -3.7530 -3.7530 -3.2702 -3.2702 -2.9647 -2.9647 -2.8129 -2.8129 -2.7368 -2.7368 -2.5672 -2.5672 -2.4131 -2.4131 -2.1327 -2.1327 -2.0520 -2.0520 -2.0291 -2.0291 -1.9820 -1.9820 -1.9343 -1.9343 -1.8299 -1.8299 -1.7012 -1.7012 -1.5610 -1.5610 -1.3303 -1.3303 5.2464 5.2464 5.4830 5.4830 5.5371 5.5371 6.4555 6.4555 6.5104 6.5104 6.6434 6.6434 6.7593 6.7593 k = 0.4107 0.1546 0.6124 ( 11263 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0701 -21.0701 -21.0553 -21.0553 -20.9360 -20.9360 -20.6717 -20.6717 -20.6112 -20.6112 -20.5879 -20.5879 -4.5098 -4.5098 -4.1617 -4.1617 -3.7622 -3.7622 -3.2769 -3.2769 -2.9463 -2.9463 -2.7912 -2.7912 -2.7493 -2.7493 -2.5832 -2.5832 -2.4122 -2.4122 -2.1305 -2.1305 -2.0533 -2.0533 -2.0362 -2.0362 -1.9879 -1.9879 -1.9369 -1.9369 -1.8158 -1.8158 -1.6904 -1.6904 -1.5747 -1.5747 -1.3250 -1.3250 5.2390 5.2390 5.4908 5.4908 5.5357 5.5357 6.4531 6.4531 6.5092 6.5092 6.6469 6.6469 6.7675 6.7675 k = 0.4018 0.1701 0.6124 ( 11269 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0697 -21.0697 -21.0550 -21.0550 -20.9380 -20.9380 -20.6676 -20.6676 -20.6139 -20.6139 -20.5883 -20.5883 -4.5069 -4.5069 -4.1626 -4.1626 -3.7698 -3.7698 -3.2821 -3.2821 -2.9295 -2.9295 -2.7707 -2.7707 -2.7612 -2.7612 -2.5993 -2.5993 -2.4116 -2.4116 -2.1268 -2.1268 -2.0596 -2.0596 -2.0377 -2.0377 -1.9932 -1.9932 -1.9390 -1.9390 -1.8031 -1.8031 -1.6819 -1.6819 -1.5868 -1.5868 -1.3208 -1.3208 5.2332 5.2332 5.4975 5.4975 5.5341 5.5341 6.4512 6.4512 6.5082 6.5082 6.6497 6.6497 6.7762 6.7762 k = 0.3929 0.1856 0.6124 ( 11261 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0693 -21.0693 -21.0547 -21.0547 -20.9394 -20.9394 -20.6642 -20.6642 -20.6162 -20.6162 -20.5885 -20.5885 -4.5046 -4.5046 -4.1633 -4.1633 -3.7754 -3.7754 -3.2858 -3.2858 -2.9154 -2.9154 -2.7726 -2.7726 -2.7516 -2.7516 -2.6141 -2.6141 -2.4113 -2.4113 -2.1223 -2.1223 -2.0678 -2.0678 -2.0365 -2.0365 -1.9974 -1.9974 -1.9406 -1.9406 -1.7929 -1.7929 -1.6758 -1.6758 -1.5964 -1.5964 -1.3177 -1.3177 5.2290 5.2290 5.5028 5.5028 5.5325 5.5325 6.4498 6.4498 6.5075 6.5075 6.6517 6.6517 6.7851 6.7851 k = 0.3839 0.2010 0.6124 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0691 -21.0691 -21.0546 -21.0546 -20.9403 -20.9403 -20.6619 -20.6619 -20.6178 -20.6178 -20.5887 -20.5887 -4.5032 -4.5032 -4.1637 -4.1637 -3.7789 -3.7789 -3.2880 -3.2880 -2.9056 -2.9056 -2.7803 -2.7803 -2.7380 -2.7380 -2.6256 -2.6256 -2.4111 -2.4111 -2.1182 -2.1182 -2.0745 -2.0745 -2.0351 -2.0351 -2.0003 -2.0003 -1.9415 -1.9415 -1.7861 -1.7861 -1.6721 -1.6721 -1.6028 -1.6028 -1.3159 -1.3159 5.2265 5.2265 5.5063 5.5063 5.5312 5.5312 6.4489 6.4489 6.5071 6.5071 6.6529 6.6529 6.7939 6.7939 k = 0.3750 0.2165 0.6124 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.3750 0.2165 0.6124 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.3659 0.2112 0.5974 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.0601 -21.0601 -21.0558 -21.0558 -20.9364 -20.9364 -20.6685 -20.6685 -20.6235 -20.6235 -20.5888 -20.5888 -4.4898 -4.4898 -4.1463 -4.1463 -3.7648 -3.7648 -3.2652 -3.2652 -2.9246 -2.9246 -2.8005 -2.8005 -2.7590 -2.7590 -2.6468 -2.6468 -2.4253 -2.4253 -2.0983 -2.0983 -2.0769 -2.0769 -2.0366 -2.0366 -2.0085 -2.0085 -1.9634 -1.9634 -1.7621 -1.7621 -1.6698 -1.6698 -1.5865 -1.5865 -1.3280 -1.3280 5.2534 5.2534 5.5018 5.5018 5.5253 5.5253 6.4486 6.4486 6.5054 6.5054 6.6331 6.6331 6.8072 6.8072 k = 0.3567 0.2059 0.5825 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0573 -21.0573 -21.0508 -21.0508 -20.9321 -20.9321 -20.6764 -20.6764 -20.6287 -20.6287 -20.5887 -20.5887 -4.4769 -4.4769 -4.1286 -4.1286 -3.7488 -3.7488 -3.2402 -3.2402 -2.9470 -2.9470 -2.8188 -2.8188 -2.7863 -2.7863 -2.6643 -2.6643 -2.4394 -2.4394 -2.0855 -2.0855 -2.0752 -2.0752 -2.0513 -2.0513 -2.0132 -2.0132 -1.9698 -1.9698 -1.7403 -1.7403 -1.6674 -1.6674 -1.5681 -1.5681 -1.3412 -1.3412 5.2816 5.2816 5.4951 5.4951 5.5191 5.5191 6.4493 6.4493 6.5035 6.5035 6.6134 6.6134 6.8055 6.8055 k = 0.3476 0.2007 0.5676 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0588 -21.0588 -21.0413 -21.0413 -20.9278 -20.9278 -20.6845 -20.6845 -20.6337 -20.6337 -20.5887 -20.5887 -4.4641 -4.4641 -4.1108 -4.1108 -3.7321 -3.7321 -3.2141 -3.2141 -2.9691 -2.9691 -2.8381 -2.8381 -2.8143 -2.8143 -2.6824 -2.6824 -2.4534 -2.4534 -2.1022 -2.1022 -2.0721 -2.0721 -2.0519 -2.0519 -2.0103 -2.0103 -1.9690 -1.9690 -1.7187 -1.7187 -1.6635 -1.6635 -1.5501 -1.5501 -1.3548 -1.3548 5.3100 5.3100 5.4874 5.4874 5.5120 5.5120 6.4506 6.4506 6.5005 6.5005 6.5954 6.5954 6.8031 6.8031 k = 0.3384 0.1954 0.5526 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0605 -21.0605 -21.0315 -21.0315 -20.9236 -20.9236 -20.6927 -20.6927 -20.6386 -20.6386 -20.5886 -20.5886 -4.4515 -4.4515 -4.0932 -4.0932 -3.7149 -3.7149 -3.1870 -3.1870 -2.9909 -2.9909 -2.8582 -2.8582 -2.8428 -2.8428 -2.7010 -2.7010 -2.4672 -2.4672 -2.1390 -2.1390 -2.0678 -2.0678 -2.0379 -2.0379 -2.0040 -2.0040 -1.9656 -1.9656 -1.6974 -1.6974 -1.6581 -1.6581 -1.5324 -1.5324 -1.3688 -1.3688 5.3380 5.3380 5.4786 5.4786 5.5038 5.5038 6.4526 6.4526 6.4954 6.4954 6.5805 6.5805 6.8000 6.8000 k = 0.3293 0.1901 0.5377 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4358 -29.4358 -21.0624 -21.0624 -21.0216 -21.0216 -20.9195 -20.9195 -20.7010 -20.7010 -20.6433 -20.6433 -20.5884 -20.5884 -4.4392 -4.4392 -4.0760 -4.0760 -3.6976 -3.6976 -3.1591 -3.1591 -3.0124 -3.0124 -2.8797 -2.8797 -2.8709 -2.8709 -2.7198 -2.7198 -2.4807 -2.4807 -2.1791 -2.1791 -2.0623 -2.0623 -2.0240 -2.0240 -1.9949 -1.9949 -1.9611 -1.9611 -1.6773 -1.6773 -1.6504 -1.6504 -1.5151 -1.5151 -1.3829 -1.3829 5.3653 5.3653 5.4687 5.4687 5.4947 5.4947 6.4549 6.4549 6.4874 6.4874 6.5702 6.5702 6.7961 6.7961 k = 0.3201 0.1848 0.5228 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4358 -29.4358 -21.0644 -21.0644 -21.0117 -21.0117 -20.9155 -20.9155 -20.7092 -20.7092 -20.6478 -20.6478 -20.5882 -20.5882 -4.4272 -4.4272 -4.0595 -4.0595 -3.6806 -3.6806 -3.1308 -3.1308 -3.0335 -3.0335 -2.9043 -2.9043 -2.8962 -2.8962 -2.7385 -2.7385 -2.4941 -2.4941 -2.2197 -2.2197 -2.0557 -2.0557 -2.0127 -2.0127 -1.9824 -1.9824 -1.9557 -1.9557 -1.6598 -1.6598 -1.6390 -1.6390 -1.4983 -1.4983 -1.3972 -1.3972 5.3913 5.3913 5.4578 5.4578 5.4847 5.4847 6.4560 6.4560 6.4781 6.4781 6.5652 6.5652 6.7915 6.7915 k = 0.3110 0.1795 0.5078 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0667 -21.0667 -21.0018 -21.0018 -20.9119 -20.9119 -20.7171 -20.7171 -20.6519 -20.6519 -20.5880 -20.5880 -4.4158 -4.4158 -4.0440 -4.0440 -3.6641 -3.6641 -3.1028 -3.1028 -3.0539 -3.0539 -2.9314 -2.9314 -2.9188 -2.9188 -2.7567 -2.7567 -2.5072 -2.5072 -2.2594 -2.2594 -2.0481 -2.0481 -2.0035 -2.0035 -1.9673 -1.9673 -1.9498 -1.9498 -1.6463 -1.6463 -1.6227 -1.6227 -1.4819 -1.4819 -1.4114 -1.4114 5.4151 5.4151 5.4459 5.4459 5.4741 5.4741 6.4505 6.4505 6.4741 6.4741 6.5646 6.5646 6.7861 6.7861 k = 0.3018 0.1743 0.4929 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0692 -21.0692 -20.9922 -20.9922 -20.9086 -20.9086 -20.7247 -20.7247 -20.6556 -20.6556 -20.5877 -20.5877 -4.4048 -4.4048 -4.0298 -4.0298 -3.6489 -3.6489 -3.0805 -3.0805 -3.0689 -3.0689 -2.9578 -2.9578 -2.9407 -2.9407 -2.7742 -2.7742 -2.5200 -2.5200 -2.2975 -2.2975 -2.0395 -2.0395 -1.9955 -1.9955 -1.9511 -1.9511 -1.9432 -1.9432 -1.6351 -1.6351 -1.6035 -1.6035 -1.4661 -1.4661 -1.4254 -1.4254 5.4302 5.4302 5.4373 5.4373 5.4645 5.4645 6.4380 6.4380 6.4775 6.4775 6.5674 6.5674 6.7801 6.7801 k = 0.2927 0.1690 0.4779 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0718 -21.0718 -20.9830 -20.9830 -20.9056 -20.9056 -20.7316 -20.7316 -20.6588 -20.6588 -20.5875 -20.5875 -4.3943 -4.3943 -4.0172 -4.0172 -3.6354 -3.6354 -3.0954 -3.0954 -3.0488 -3.0488 -2.9813 -2.9813 -2.9626 -2.9626 -2.7906 -2.7906 -2.5325 -2.5325 -2.3329 -2.3329 -2.0300 -2.0300 -1.9878 -1.9878 -1.9376 -1.9376 -1.9328 -1.9328 -1.6243 -1.6243 -1.5834 -1.5834 -1.4515 -1.4515 -1.4383 -1.4383 5.4178 5.4178 5.4399 5.4399 5.4665 5.4665 6.4242 6.4242 6.4839 6.4839 6.5726 6.5726 6.7732 6.7732 k = 0.2835 0.1637 0.4630 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0748 -21.0748 -20.9744 -20.9744 -20.9032 -20.9032 -20.7377 -20.7377 -20.6614 -20.6614 -20.5872 -20.5872 -4.3843 -4.3843 -4.0065 -4.0065 -3.6245 -3.6245 -3.1143 -3.1143 -3.0339 -3.0339 -2.9957 -2.9957 -2.9835 -2.9835 -2.8055 -2.8055 -2.5448 -2.5448 -2.3646 -2.3646 -2.0198 -2.0198 -1.9801 -1.9801 -1.9298 -1.9298 -1.9163 -1.9163 -1.6135 -1.6135 -1.5633 -1.5633 -1.4535 -1.4535 -1.4345 -1.4345 5.4028 5.4028 5.4287 5.4287 5.4798 5.4798 6.4119 6.4119 6.4920 6.4920 6.5795 6.5795 6.7657 6.7657 k = 0.2744 0.1584 0.4481 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0780 -21.0780 -20.9664 -20.9664 -20.9014 -20.9014 -20.7428 -20.7428 -20.6635 -20.6635 -20.5869 -20.5869 -4.3749 -4.3749 -3.9978 -3.9978 -3.6170 -3.6170 -3.1330 -3.1330 -3.0405 -3.0405 -3.0081 -3.0081 -2.9846 -2.9846 -2.8188 -2.8188 -2.5568 -2.5568 -2.3913 -2.3913 -2.0089 -2.0089 -1.9721 -1.9721 -1.9220 -1.9220 -1.8994 -1.8994 -1.6028 -1.6028 -1.5435 -1.5435 -1.4650 -1.4650 -1.4205 -1.4205 5.3868 5.3868 5.4140 5.4140 5.4917 5.4917 6.4021 6.4021 6.5012 6.5012 6.5879 6.5879 6.7575 6.7575 k = 0.2652 0.1531 0.4331 ( 11284 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0815 -21.0815 -20.9595 -20.9595 -20.9001 -20.9001 -20.7466 -20.7466 -20.6649 -20.6649 -20.5865 -20.5865 -4.3661 -4.3661 -3.9916 -3.9916 -3.6135 -3.6135 -3.1511 -3.1511 -3.0546 -3.0546 -3.0295 -3.0295 -2.9697 -2.9697 -2.8301 -2.8301 -2.5684 -2.5684 -2.4117 -2.4117 -1.9973 -1.9973 -1.9639 -1.9639 -1.9138 -1.9138 -1.8826 -1.8826 -1.5927 -1.5927 -1.5244 -1.5244 -1.4750 -1.4750 -1.4066 -1.4066 5.3699 5.3699 5.3980 5.3980 5.4999 5.4999 6.3956 6.3956 6.5115 6.5115 6.5975 6.5975 6.7487 6.7487 k = 0.2561 0.1479 0.4182 ( 11292 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0853 -21.0853 -20.9536 -20.9536 -20.8995 -20.8995 -20.7490 -20.7490 -20.6656 -20.6656 -20.5861 -20.5861 -4.3578 -4.3578 -3.9878 -3.9878 -3.6148 -3.6148 -3.1687 -3.1687 -3.0669 -3.0669 -3.0510 -3.0510 -2.9575 -2.9575 -2.8393 -2.8393 -2.5797 -2.5797 -2.4242 -2.4242 -1.9853 -1.9853 -1.9552 -1.9552 -1.9053 -1.9053 -1.8661 -1.8661 -1.5842 -1.5842 -1.5071 -1.5071 -1.4812 -1.4812 -1.3932 -1.3932 5.3522 5.3522 5.3810 5.3810 5.5037 5.5037 6.3930 6.3930 6.5227 6.5227 6.6081 6.6081 6.7393 6.7393 k = 0.2470 0.1426 0.4033 ( 11294 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4358 -29.4358 -21.0894 -21.0894 -20.9490 -20.9490 -20.8996 -20.8996 -20.7499 -20.7499 -20.6655 -20.6655 -20.5858 -20.5858 -4.3500 -4.3500 -3.9866 -3.9866 -3.6213 -3.6213 -3.1857 -3.1857 -3.0765 -3.0765 -3.0712 -3.0712 -2.9508 -2.9508 -2.8462 -2.8462 -2.5906 -2.5906 -2.4279 -2.4279 -1.9729 -1.9729 -1.9461 -1.9461 -1.8964 -1.8964 -1.8498 -1.8498 -1.5787 -1.5787 -1.4964 -1.4964 -1.4773 -1.4773 -1.3803 -1.3803 5.3340 5.3340 5.3632 5.3632 5.5027 5.5027 6.3946 6.3946 6.5347 6.5347 6.6196 6.6196 6.7294 6.7294 k = 0.2378 0.1373 0.3883 ( 11298 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4357 -29.4357 -21.0938 -21.0938 -20.9457 -20.9457 -20.9003 -20.9003 -20.7490 -20.7490 -20.6648 -20.6648 -20.5854 -20.5854 -4.3428 -4.3428 -3.9881 -3.9881 -3.6331 -3.6331 -3.2020 -3.2020 -3.0945 -3.0945 -3.0788 -3.0788 -2.9503 -2.9503 -2.8508 -2.8508 -2.6011 -2.6011 -2.4223 -2.4223 -1.9600 -1.9600 -1.9365 -1.9365 -1.8871 -1.8871 -1.8339 -1.8339 -1.5775 -1.5775 -1.4919 -1.4919 -1.4626 -1.4626 -1.3678 -1.3678 5.3152 5.3152 5.3448 5.3448 5.4969 5.4969 6.4003 6.4003 6.5475 6.5475 6.6318 6.6318 6.7189 6.7189 k = 0.2287 0.1320 0.3734 ( 11298 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4357 -29.4357 -21.0985 -21.0985 -20.9437 -20.9437 -20.9017 -20.9017 -20.7466 -20.7466 -20.6633 -20.6633 -20.5849 -20.5849 -4.3361 -4.3361 -3.9923 -3.9923 -3.6498 -3.6498 -3.2178 -3.2178 -3.1153 -3.1153 -3.0800 -3.0800 -2.9553 -2.9553 -2.8532 -2.8532 -2.6112 -2.6112 -2.4077 -2.4077 -1.9469 -1.9469 -1.9263 -1.9263 -1.8775 -1.8775 -1.8183 -1.8183 -1.5806 -1.5806 -1.4850 -1.4850 -1.4457 -1.4457 -1.3559 -1.3559 5.2959 5.2959 5.3258 5.3258 5.4866 5.4866 6.4100 6.4100 6.5608 6.5608 6.6446 6.6446 6.7082 6.7082 k = 0.2195 0.1267 0.3585 ( 11292 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4357 -29.4357 -21.1036 -21.1036 -20.9429 -20.9429 -20.9037 -20.9037 -20.7426 -20.7426 -20.6612 -20.6612 -20.5845 -20.5845 -4.3298 -4.3298 -3.9989 -3.9989 -3.6710 -3.6710 -3.2329 -3.2329 -3.1357 -3.1357 -3.0791 -3.0791 -2.9640 -2.9640 -2.8534 -2.8534 -2.6210 -2.6210 -2.3851 -2.3851 -1.9336 -1.9336 -1.9156 -1.9156 -1.8675 -1.8675 -1.8031 -1.8031 -1.5869 -1.5869 -1.4747 -1.4747 -1.4287 -1.4287 -1.3445 -1.3445 5.2764 5.2764 5.3064 5.3064 5.4722 5.4722 6.4234 6.4234 6.5747 6.5747 6.6578 6.6578 6.6971 6.6971 k = 0.2104 0.1215 0.3435 ( 11292 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4357 -29.4357 -21.1089 -21.1089 -20.9431 -20.9431 -20.9063 -20.9063 -20.7372 -20.7372 -20.6585 -20.6585 -20.5840 -20.5840 -4.3240 -4.3240 -4.0079 -4.0079 -3.6958 -3.6958 -3.2474 -3.2474 -3.1558 -3.1558 -3.0785 -3.0785 -2.9734 -2.9734 -2.8517 -2.8517 -2.6303 -2.6303 -2.3561 -2.3561 -1.9202 -1.9202 -1.9044 -1.9044 -1.8572 -1.8572 -1.7883 -1.7883 -1.5950 -1.5950 -1.4621 -1.4621 -1.4121 -1.4121 -1.3336 -1.3336 5.2566 5.2566 5.2867 5.2867 5.4540 5.4540 6.4401 6.4401 6.5888 6.5888 6.6710 6.6710 6.6864 6.6864 k = 0.2012 0.1162 0.3286 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4357 -29.4357 -21.1146 -21.1146 -20.9441 -20.9441 -20.9093 -20.9093 -20.7307 -20.7307 -20.6552 -20.6552 -20.5835 -20.5835 -4.3187 -4.3187 -4.0190 -4.0190 -3.7235 -3.7235 -3.2613 -3.2613 -3.1753 -3.1753 -3.0817 -3.0817 -2.9796 -2.9796 -2.8482 -2.8482 -2.6393 -2.6393 -2.3221 -2.3221 -1.9068 -1.9068 -1.8927 -1.8927 -1.8466 -1.8466 -1.7739 -1.7739 -1.6039 -1.6039 -1.4481 -1.4481 -1.3961 -1.3961 -1.3232 -1.3232 5.2367 5.2367 5.2668 5.2668 5.4326 5.4326 6.4594 6.4594 6.6029 6.6029 6.6732 6.6732 6.6872 6.6872 k = 0.1921 0.1109 0.3137 ( 11298 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4357 -29.4357 -21.1205 -21.1205 -20.9458 -20.9458 -20.9128 -20.9128 -20.7233 -20.7233 -20.6514 -20.6514 -20.5830 -20.5830 -4.3138 -4.3138 -4.0320 -4.0320 -3.7533 -3.7533 -3.2746 -3.2746 -3.1943 -3.1943 -3.0912 -3.0912 -2.9795 -2.9795 -2.8433 -2.8433 -2.6478 -2.6478 -2.2843 -2.2843 -1.8933 -1.8933 -1.8804 -1.8804 -1.8356 -1.8356 -1.7599 -1.7599 -1.6131 -1.6131 -1.4332 -1.4332 -1.3806 -1.3806 -1.3132 -1.3132 5.2169 5.2169 5.2468 5.2468 5.4087 5.4087 6.4809 6.4809 6.6163 6.6163 6.6634 6.6634 6.7008 6.7008 k = 0.1829 0.1056 0.2987 ( 11295 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.1267 -21.1267 -20.9479 -20.9479 -20.9166 -20.9166 -20.7153 -20.7153 -20.6473 -20.6473 -20.5824 -20.5824 -4.3092 -4.3092 -4.0465 -4.0465 -3.7846 -3.7846 -3.2873 -3.2873 -3.2127 -3.2127 -3.1070 -3.1070 -2.9729 -2.9729 -2.8372 -2.8372 -2.6559 -2.6559 -2.2439 -2.2439 -1.8799 -1.8799 -1.8677 -1.8677 -1.8243 -1.8243 -1.7464 -1.7464 -1.6222 -1.6222 -1.4180 -1.4180 -1.3657 -1.3657 -1.3038 -1.3038 5.1971 5.1971 5.2269 5.2269 5.3827 5.3827 6.5040 6.5040 6.6265 6.6265 6.6563 6.6563 6.7152 6.7152 k = 0.1738 0.1003 0.2838 ( 11303 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.1330 -21.1330 -20.9503 -20.9503 -20.9207 -20.9207 -20.7069 -20.7069 -20.6428 -20.6428 -20.5818 -20.5818 -4.3051 -4.3051 -4.0622 -4.0622 -3.8167 -3.8167 -3.2993 -3.2993 -3.2304 -3.2304 -3.1271 -3.1271 -2.9618 -2.9618 -2.8302 -2.8302 -2.6637 -2.6637 -2.2017 -2.2017 -1.8667 -1.8667 -1.8546 -1.8546 -1.8127 -1.8127 -1.7334 -1.7334 -1.6309 -1.6309 -1.4027 -1.4027 -1.3514 -1.3514 -1.2948 -1.2948 5.1776 5.1776 5.2071 5.2071 5.3553 5.3553 6.5282 6.5282 6.6265 6.6265 6.6594 6.6594 6.7297 6.7297 k = 0.1646 0.0951 0.2688 ( 11297 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4356 -29.4356 -21.1395 -21.1395 -20.9528 -20.9528 -20.9249 -20.9249 -20.6983 -20.6983 -20.6380 -20.6380 -20.5812 -20.5812 -4.3014 -4.3014 -4.0789 -4.0789 -3.8492 -3.8492 -3.3107 -3.3107 -3.2474 -3.2474 -3.1493 -3.1493 -2.9481 -2.9481 -2.8226 -2.8226 -2.6709 -2.6709 -2.1585 -2.1585 -1.8537 -1.8537 -1.8412 -1.8412 -1.8007 -1.8007 -1.7209 -1.7209 -1.6391 -1.6391 -1.3874 -1.3874 -1.3378 -1.3378 -1.2863 -1.2863 5.1584 5.1584 5.1875 5.1875 5.3268 5.3268 6.5531 6.5531 6.6180 6.6180 6.6709 6.6709 6.7442 6.7442 k = 0.1555 0.0898 0.2539 ( 11299 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4356 -29.4356 -21.1460 -21.1460 -20.9553 -20.9553 -20.9293 -20.9293 -20.6896 -20.6896 -20.6331 -20.6331 -20.5805 -20.5805 -4.2981 -4.2981 -4.0963 -4.0963 -3.8815 -3.8815 -3.3215 -3.3215 -3.2638 -3.2638 -3.1724 -3.1724 -2.9330 -2.9330 -2.8147 -2.8147 -2.6777 -2.6777 -2.1149 -2.1149 -1.8410 -1.8410 -1.8277 -1.8277 -1.7884 -1.7884 -1.7089 -1.7089 -1.6468 -1.6468 -1.3724 -1.3724 -1.3248 -1.3248 -1.2783 -1.2783 5.1397 5.1397 5.1683 5.1683 5.2978 5.2978 6.5782 6.5782 6.6071 6.6071 6.6846 6.6846 6.7587 6.7587 k = 0.1463 0.0845 0.2390 ( 11303 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4356 -29.4356 -21.1526 -21.1526 -20.9578 -20.9578 -20.9338 -20.9338 -20.6811 -20.6811 -20.6279 -20.6279 -20.5798 -20.5798 -4.2951 -4.2951 -4.1140 -4.1140 -3.9133 -3.9133 -3.3317 -3.3317 -3.2793 -3.2793 -3.1956 -3.1956 -2.9174 -2.9174 -2.8065 -2.8065 -2.6841 -2.6841 -2.0715 -2.0715 -1.8286 -1.8286 -1.8143 -1.8143 -1.7757 -1.7757 -1.6977 -1.6977 -1.6536 -1.6536 -1.3578 -1.3578 -1.3125 -1.3125 -1.2707 -1.2707 5.1214 5.1214 5.1495 5.1495 5.2687 5.2687 6.5957 6.5957 6.6031 6.6031 6.6987 6.6987 6.7729 6.7729 k = 0.1372 0.0792 0.2240 ( 11299 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4356 -29.4356 -21.1591 -21.1591 -20.9603 -20.9603 -20.9382 -20.9382 -20.6729 -20.6729 -20.6227 -20.6227 -20.5791 -20.5791 -4.2925 -4.2925 -4.1319 -4.1319 -3.9442 -3.9442 -3.3412 -3.3412 -3.2941 -3.2941 -3.2184 -3.2184 -2.9019 -2.9019 -2.7984 -2.7984 -2.6899 -2.6899 -2.0288 -2.0288 -1.8166 -1.8166 -1.8010 -1.8010 -1.7626 -1.7626 -1.6873 -1.6873 -1.6593 -1.6593 -1.3436 -1.3436 -1.3009 -1.3009 -1.2636 -1.2636 5.1038 5.1038 5.1312 5.1312 5.2398 5.2398 6.5844 6.5844 6.6275 6.6275 6.7127 6.7127 6.7869 6.7869 k = 0.1280 0.0739 0.2091 ( 11299 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1655 -21.1655 -20.9625 -20.9625 -20.9426 -20.9426 -20.6650 -20.6650 -20.6174 -20.6174 -20.5783 -20.5783 -4.2903 -4.2903 -4.1496 -4.1496 -3.9741 -3.9741 -3.3502 -3.3502 -3.3081 -3.3081 -3.2404 -3.2404 -2.8868 -2.8868 -2.7904 -2.7904 -2.6952 -2.6952 -1.9872 -1.9872 -1.8051 -1.8051 -1.7882 -1.7882 -1.7492 -1.7492 -1.6793 -1.6793 -1.6626 -1.6626 -1.3301 -1.3301 -1.2899 -1.2899 -1.2568 -1.2568 5.0868 5.0868 5.1135 5.1135 5.2115 5.2115 6.5732 6.5732 6.6511 6.6511 6.7264 6.7264 6.7935 6.7935 k = 0.1189 0.0686 0.1942 ( 11307 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1717 -21.1717 -20.9647 -20.9647 -20.9468 -20.9468 -20.6577 -20.6577 -20.6120 -20.6120 -20.5774 -20.5774 -4.2885 -4.2885 -4.1669 -4.1669 -4.0025 -4.0025 -3.3586 -3.3586 -3.3213 -3.3213 -3.2614 -3.2614 -2.8726 -2.8726 -2.7826 -2.7826 -2.7000 -2.7000 -1.9472 -1.9472 -1.7941 -1.7941 -1.7759 -1.7759 -1.7356 -1.7356 -1.6769 -1.6769 -1.6597 -1.6597 -1.3173 -1.3173 -1.2796 -1.2796 -1.2505 -1.2505 5.0706 5.0706 5.0965 5.0965 5.1841 5.1841 6.5623 6.5623 6.6732 6.6732 6.7396 6.7396 6.7590 6.7590 k = 0.1098 0.0634 0.1792 ( 11297 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4355 -29.4355 -21.1778 -21.1778 -20.9666 -20.9666 -20.9509 -20.9509 -20.6509 -20.6509 -20.6067 -20.6067 -20.5765 -20.5765 -4.2870 -4.2870 -4.1837 -4.1837 -4.0293 -4.0293 -3.3664 -3.3664 -3.3336 -3.3336 -3.2811 -3.2811 -2.8594 -2.8594 -2.7751 -2.7751 -2.7042 -2.7042 -1.9094 -1.9094 -1.7836 -1.7836 -1.7642 -1.7642 -1.7224 -1.7224 -1.6785 -1.6785 -1.6521 -1.6521 -1.3054 -1.3054 -1.2699 -1.2699 -1.2447 -1.2447 5.0553 5.0553 5.0802 5.0802 5.1579 5.1579 6.5519 6.5519 6.6916 6.6916 6.7268 6.7268 6.7522 6.7522 k = 0.1006 0.0581 0.1643 ( 11277 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4355 -29.4355 -21.1835 -21.1835 -20.9684 -20.9684 -20.9548 -20.9548 -20.6448 -20.6448 -20.6015 -20.6015 -20.5755 -20.5755 -4.2860 -4.2860 -4.1998 -4.1998 -4.0544 -4.0544 -3.3737 -3.3737 -3.3451 -3.3451 -3.2994 -3.2994 -2.8474 -2.8474 -2.7679 -2.7679 -2.7078 -2.7078 -1.8741 -1.8741 -1.7738 -1.7738 -1.7530 -1.7530 -1.7104 -1.7104 -1.6793 -1.6793 -1.6437 -1.6437 -1.2944 -1.2944 -1.2608 -1.2608 -1.2392 -1.2392 5.0409 5.0409 5.0645 5.0645 5.1332 5.1332 6.5420 6.5420 6.6839 6.6839 6.7195 6.7195 6.7640 6.7640 k = 0.0915 0.0528 0.1494 ( 11283 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4355 -29.4355 -21.1889 -21.1889 -20.9701 -20.9701 -20.9585 -20.9585 -20.6393 -20.6393 -20.5964 -20.5964 -20.5745 -20.5745 -4.2853 -4.2853 -4.2149 -4.2149 -4.0774 -4.0774 -3.3804 -3.3804 -3.3557 -3.3557 -3.3161 -3.3161 -2.8368 -2.8368 -2.7610 -2.7610 -2.7109 -2.7109 -1.8419 -1.8419 -1.7646 -1.7646 -1.7425 -1.7425 -1.7022 -1.7022 -1.6760 -1.6760 -1.6354 -1.6354 -1.2844 -1.2844 -1.2524 -1.2524 -1.2341 -1.2341 5.0275 5.0275 5.0496 5.0496 5.1102 5.1102 6.5326 6.5326 6.6543 6.6543 6.7199 6.7199 6.7485 6.7485 k = 0.0823 0.0475 0.1344 ( 11283 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.1940 -21.1940 -20.9715 -20.9715 -20.9620 -20.9620 -20.6345 -20.6345 -20.5915 -20.5915 -20.5735 -20.5735 -4.2851 -4.2851 -4.2290 -4.2290 -4.0983 -4.0983 -3.3865 -3.3865 -3.3656 -3.3656 -3.3312 -3.3312 -2.8278 -2.8278 -2.7544 -2.7544 -2.7135 -2.7135 -1.8135 -1.8135 -1.7561 -1.7561 -1.7324 -1.7324 -1.6990 -1.6990 -1.6671 -1.6671 -1.6274 -1.6274 -1.2754 -1.2754 -1.2446 -1.2446 -1.2294 -1.2294 5.0152 5.0152 5.0354 5.0354 5.0894 5.0894 6.5240 6.5240 6.6246 6.6246 6.6832 6.6832 6.7582 6.7582 k = 0.0732 0.0422 0.1195 ( 11281 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.1986 -21.1986 -20.9728 -20.9728 -20.9651 -20.9651 -20.6304 -20.6304 -20.5869 -20.5869 -20.5725 -20.5725 -4.2854 -4.2854 -4.2420 -4.2420 -4.1168 -4.1168 -3.3921 -3.3921 -3.3747 -3.3747 -3.3444 -3.3444 -2.8202 -2.8202 -2.7481 -2.7481 -2.7155 -2.7155 -1.7893 -1.7893 -1.7483 -1.7483 -1.7228 -1.7228 -1.6981 -1.6981 -1.6551 -1.6551 -1.6199 -1.6199 -1.2676 -1.2676 -1.2374 -1.2374 -1.2251 -1.2251 5.0039 5.0039 5.0220 5.0220 5.0708 5.0708 6.5161 6.5161 6.5969 6.5969 6.6447 6.6447 6.7725 6.7725 k = 0.0640 0.0370 0.1046 ( 11293 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.2028 -21.2028 -20.9739 -20.9739 -20.9679 -20.9679 -20.6268 -20.6268 -20.5826 -20.5826 -20.5715 -20.5715 -4.2860 -4.2860 -4.2536 -4.2536 -4.1331 -4.1331 -3.3972 -3.3972 -3.3832 -3.3832 -3.3558 -3.3558 -2.8140 -2.8140 -2.7422 -2.7422 -2.7170 -2.7170 -1.7699 -1.7699 -1.7416 -1.7416 -1.7142 -1.7142 -1.6966 -1.6966 -1.6423 -1.6423 -1.6129 -1.6129 -1.2608 -1.2608 -1.2309 -1.2309 -1.2213 -1.2213 4.9939 4.9939 5.0093 5.0093 5.0547 5.0547 6.5090 6.5090 6.5716 6.5716 6.6098 6.6098 6.7859 6.7859 k = 0.0549 0.0317 0.0896 ( 11293 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2065 -21.2065 -20.9749 -20.9749 -20.9704 -20.9704 -20.6239 -20.6239 -20.5788 -20.5788 -20.5706 -20.5706 -4.2870 -4.2870 -4.2639 -4.2639 -4.1468 -4.1468 -3.4017 -3.4017 -3.3908 -3.3908 -3.3652 -3.3652 -2.8092 -2.8092 -2.7368 -2.7368 -2.7182 -2.7182 -1.7553 -1.7553 -1.7360 -1.7360 -1.7079 -1.7079 -1.6925 -1.6925 -1.6297 -1.6297 -1.6065 -1.6065 -1.2551 -1.2551 -1.2250 -1.2250 -1.2179 -1.2179 4.9851 4.9851 4.9975 4.9975 5.0411 5.0411 6.5027 6.5027 6.5492 6.5492 6.5792 6.5792 6.7976 6.7976 k = 0.0457 0.0264 0.0747 ( 11281 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2096 -21.2096 -20.9757 -20.9757 -20.9725 -20.9725 -20.6215 -20.6215 -20.5754 -20.5754 -20.5697 -20.5697 -4.2883 -4.2883 -4.2727 -4.2727 -4.1582 -4.1582 -3.4056 -3.4056 -3.3977 -3.3977 -3.3727 -3.3727 -2.8055 -2.8055 -2.7320 -2.7320 -2.7190 -2.7190 -1.7447 -1.7447 -1.7318 -1.7318 -1.7042 -1.7042 -1.6856 -1.6856 -1.6179 -1.6179 -1.6007 -1.6007 -1.2504 -1.2504 -1.2200 -1.2200 -1.2149 -1.2149 4.9776 4.9776 4.9868 4.9868 5.0300 5.0300 6.4973 6.4973 6.5297 6.5297 6.5531 6.5531 6.8076 6.8076 k = 0.0366 0.0211 0.0597 ( 11271 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2123 -21.2123 -20.9763 -20.9763 -20.9743 -20.9743 -20.6196 -20.6196 -20.5726 -20.5726 -20.5689 -20.5689 -4.2897 -4.2897 -4.2800 -4.2800 -4.1672 -4.1672 -3.4089 -3.4089 -3.4037 -3.4037 -3.3786 -3.3786 -2.8028 -2.8028 -2.7278 -2.7278 -2.7195 -2.7195 -1.7372 -1.7372 -1.7291 -1.7291 -1.7017 -1.7017 -1.6782 -1.6782 -1.6073 -1.6073 -1.5958 -1.5958 -1.2466 -1.2466 -1.2157 -1.2157 -1.2125 -1.2125 4.9713 4.9713 4.9776 4.9776 5.0212 5.0212 6.4928 6.4928 6.5136 6.5136 6.5316 6.5316 6.8159 6.8159 k = 0.0274 0.0158 0.0448 ( 11243 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4355 -29.4355 -21.2143 -21.2143 -20.9768 -20.9768 -20.9757 -20.9757 -20.6182 -20.6182 -20.5704 -20.5704 -20.5683 -20.5683 -4.2911 -4.2911 -4.2858 -4.2858 -4.1740 -4.1740 -3.4115 -3.4115 -3.4085 -3.4085 -3.3829 -3.3829 -2.8009 -2.8009 -2.7245 -2.7245 -2.7198 -2.7198 -1.7321 -1.7321 -1.7274 -1.7274 -1.6995 -1.6995 -1.6719 -1.6719 -1.5985 -1.5985 -1.5918 -1.5918 -1.2438 -1.2438 -1.2124 -1.2124 -1.2105 -1.2105 4.9665 4.9665 4.9702 4.9702 5.0146 5.0146 6.4892 6.4892 6.5008 6.5008 6.5149 6.5149 6.8223 6.8229 k = 0.0183 0.0106 0.0299 ( 11239 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4354 -29.4354 -21.2158 -21.2158 -20.9772 -20.9772 -20.9767 -20.9767 -20.6172 -20.6172 -20.5687 -20.5687 -20.5678 -20.5678 -4.2922 -4.2922 -4.2899 -4.2899 -4.1788 -4.1788 -3.4134 -3.4134 -3.4120 -3.4120 -3.3858 -3.3858 -2.7997 -2.7997 -2.7221 -2.7221 -2.7200 -2.7200 -1.7286 -1.7286 -1.7265 -1.7265 -1.6978 -1.6978 -1.6672 -1.6672 -1.5919 -1.5919 -1.5888 -1.5888 -1.2418 -1.2418 -1.2100 -1.2100 -1.2091 -1.2091 4.9630 4.9630 4.9647 4.9647 5.0099 5.0099 6.4865 6.4865 6.4916 6.4916 6.5029 6.5029 6.8269 6.8272 k = 0.0091 0.0053 0.0149 ( 11239 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2167 -21.2167 -20.9774 -20.9774 -20.9773 -20.9773 -20.6166 -20.6166 -20.5678 -20.5678 -20.5675 -20.5675 -4.2930 -4.2930 -4.2924 -4.2924 -4.1815 -4.1815 -3.4145 -3.4145 -3.4142 -3.4142 -3.3875 -3.3875 -2.7990 -2.7990 -2.7206 -2.7206 -2.7201 -2.7201 -1.7267 -1.7267 -1.7261 -1.7261 -1.6967 -1.6967 -1.6643 -1.6643 -1.5878 -1.5878 -1.5870 -1.5870 -1.2406 -1.2406 -1.2085 -1.2085 -1.2083 -1.2083 4.9609 4.9609 4.9613 4.9613 5.0072 5.0072 6.4848 6.4848 6.4861 6.4861 6.4958 6.4958 6.8296 6.8296 k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2170 -21.2170 -20.9775 -20.9775 -20.9775 -20.9775 -20.6164 -20.6164 -20.5674 -20.5674 -20.5674 -20.5674 -4.2932 -4.2932 -4.2932 -4.2932 -4.1824 -4.1824 -3.4149 -3.4149 -3.4149 -3.4149 -3.3881 -3.3881 -2.7987 -2.7987 -2.7201 -2.7201 -2.7201 -2.7201 -1.7260 -1.7260 -1.7260 -1.7260 -1.6964 -1.6964 -1.6634 -1.6634 -1.5864 -1.5864 -1.5864 -1.5864 -1.2402 -1.2402 -1.2080 -1.2080 -1.2080 -1.2080 4.9602 4.9602 4.9602 4.9602 5.0063 5.0063 6.4842 6.4842 6.4842 6.4842 6.4935 6.4935 6.8305 6.8305 k = 0.0000 0.0000 0.0000 ( 11191 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2170 -21.2170 -20.9775 -20.9775 -20.9775 -20.9775 -20.6164 -20.6164 -20.5674 -20.5674 -20.5674 -20.5674 -4.2932 -4.2932 -4.2932 -4.2932 -4.1824 -4.1824 -3.4149 -3.4149 -3.4149 -3.4149 -3.3881 -3.3881 -2.7987 -2.7987 -2.7201 -2.7201 -2.7201 -2.7201 -1.7260 -1.7260 -1.7260 -1.7260 -1.6964 -1.6964 -1.6634 -1.6634 -1.5864 -1.5864 -1.5864 -1.5864 -1.2402 -1.2402 -1.2080 -1.2080 -1.2080 -1.2080 4.9602 4.9602 4.9602 4.9602 5.0063 5.0063 6.4842 6.4842 6.4842 6.4842 6.4935 6.4935 6.8305 6.8305 k = 0.0147 0.0085 0.0060 ( 11239 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4354 -29.4354 -29.4354 -29.4354 -21.2167 -21.2167 -20.9773 -20.9773 -20.9773 -20.9773 -20.6166 -20.6166 -20.5677 -20.5677 -20.5676 -20.5676 -4.2927 -4.2927 -4.2927 -4.2927 -4.1816 -4.1816 -3.4145 -3.4145 -3.4143 -3.4143 -3.3876 -3.3876 -2.7990 -2.7990 -2.7205 -2.7205 -2.7202 -2.7202 -1.7267 -1.7267 -1.7261 -1.7261 -1.6967 -1.6967 -1.6643 -1.6643 -1.5876 -1.5876 -1.5871 -1.5871 -1.2406 -1.2406 -1.2084 -1.2084 -1.2083 -1.2083 4.9610 4.9610 4.9611 4.9611 5.0071 5.0071 6.4854 6.4854 6.4854 6.4854 6.4957 6.4957 6.8298 6.8298 k = 0.0294 0.0170 0.0120 ( 11245 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4354 -29.4354 -21.2158 -21.2158 -20.9770 -20.9770 -20.9769 -20.9769 -20.6172 -20.6172 -20.5685 -20.5685 -20.5680 -20.5680 -4.2911 -4.2911 -4.2911 -4.2911 -4.1789 -4.1789 -3.4131 -3.4131 -3.4125 -3.4125 -3.3859 -3.3859 -2.7996 -2.7996 -2.7216 -2.7216 -2.7204 -2.7204 -1.7287 -1.7287 -1.7264 -1.7264 -1.6978 -1.6978 -1.6670 -1.6670 -1.5912 -1.5912 -1.5893 -1.5893 -1.2418 -1.2418 -1.2097 -1.2097 -1.2093 -1.2093 4.9636 4.9636 4.9638 4.9638 5.0098 5.0098 6.4890 6.4890 6.4891 6.4891 6.5024 6.5024 6.8276 6.8278 k = 0.0441 0.0255 0.0180 ( 11251 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4355 -29.4355 -21.2144 -21.2144 -20.9763 -20.9763 -20.9762 -20.9762 -20.6181 -20.6181 -20.5698 -20.5698 -20.5688 -20.5688 -4.2885 -4.2885 -4.2884 -4.2884 -4.1745 -4.1745 -3.4107 -3.4107 -3.4094 -3.4094 -3.3832 -3.3832 -2.8008 -2.8008 -2.7235 -2.7235 -2.7208 -2.7208 -1.7320 -1.7320 -1.7273 -1.7273 -1.6993 -1.6993 -1.6715 -1.6715 -1.5971 -1.5971 -1.5929 -1.5929 -1.2437 -1.2437 -1.2118 -1.2118 -1.2109 -1.2109 4.9679 4.9679 4.9684 4.9684 5.0142 5.0142 6.4950 6.4950 6.4952 6.4952 6.5134 6.5134 6.8236 6.8243 k = 0.0588 0.0340 0.0240 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0824 -30.0824 -29.4355 -29.4355 -29.4355 -29.4355 -21.2124 -21.2124 -20.9755 -20.9755 -20.9753 -20.9753 -20.6194 -20.6194 -20.5717 -20.5717 -20.5698 -20.5698 -4.2848 -4.2848 -4.2847 -4.2847 -4.1684 -4.1684 -3.4075 -3.4075 -3.4051 -3.4051 -3.3793 -3.3793 -2.8024 -2.8024 -2.7260 -2.7260 -2.7214 -2.7214 -1.7368 -1.7368 -1.7294 -1.7294 -1.7010 -1.7010 -1.6776 -1.6776 -1.6050 -1.6050 -1.5977 -1.5977 -1.2463 -1.2463 -1.2148 -1.2148 -1.2131 -1.2131 4.9739 4.9739 4.9747 4.9747 5.0203 5.0203 6.5033 6.5033 6.5036 6.5036 6.5289 6.5289 6.8185 6.8198 k = 0.0735 0.0425 0.0300 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2098 -21.2098 -20.9743 -20.9743 -20.9741 -20.9741 -20.6212 -20.6212 -20.5740 -20.5740 -20.5711 -20.5711 -4.2801 -4.2801 -4.2799 -4.2799 -4.1605 -4.1605 -3.4034 -3.4034 -3.3995 -3.3995 -3.3743 -3.3743 -2.8047 -2.8047 -2.7292 -2.7292 -2.7221 -2.7221 -1.7431 -1.7431 -1.7335 -1.7335 -1.7023 -1.7023 -1.6851 -1.6851 -1.6147 -1.6147 -1.6035 -1.6035 -1.2497 -1.2497 -1.2186 -1.2186 -1.2160 -1.2160 4.9816 4.9816 4.9828 4.9828 5.0281 5.0281 6.5139 6.5139 6.5144 6.5144 6.5486 6.5486 6.8114 6.8120 k = 0.0882 0.0509 0.0360 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2066 -21.2066 -20.9730 -20.9730 -20.9726 -20.9726 -20.6233 -20.6233 -20.5768 -20.5768 -20.5727 -20.5727 -4.2744 -4.2744 -4.2742 -4.2742 -4.1510 -4.1510 -3.3985 -3.3985 -3.3928 -3.3928 -3.3682 -3.3682 -2.8076 -2.8076 -2.7330 -2.7330 -2.7231 -2.7231 -1.7510 -1.7510 -1.7404 -1.7404 -1.7038 -1.7038 -1.6931 -1.6931 -1.6257 -1.6257 -1.6103 -1.6103 -1.2539 -1.2539 -1.2233 -1.2233 -1.2194 -1.2194 4.9909 4.9909 4.9927 4.9927 5.0375 5.0375 6.5267 6.5267 6.5275 6.5275 6.5727 6.5727 6.8032 6.8044 k = 0.1029 0.0594 0.0420 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4355 -29.4355 -29.4355 -29.4355 -21.2029 -21.2029 -20.9714 -20.9714 -20.9709 -20.9709 -20.6259 -20.6259 -20.5800 -20.5800 -20.5745 -20.5745 -4.2677 -4.2677 -4.2674 -4.2674 -4.1398 -4.1398 -3.3927 -3.3927 -3.3849 -3.3849 -3.3609 -3.3609 -2.8112 -2.8112 -2.7372 -2.7372 -2.7243 -2.7243 -1.7606 -1.7606 -1.7504 -1.7504 -1.7100 -1.7100 -1.6972 -1.6972 -1.6372 -1.6372 -1.6177 -1.6177 -1.2589 -1.2589 -1.2287 -1.2287 -1.2234 -1.2234 5.0017 5.0017 5.0041 5.0041 5.0486 5.0486 6.5416 6.5416 6.5427 6.5427 6.6008 6.6008 6.7935 6.7936 k = 0.1176 0.0679 0.0480 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.1987 -21.1987 -20.9696 -20.9696 -20.9689 -20.9689 -20.6288 -20.6288 -20.5836 -20.5836 -20.5766 -20.5766 -4.2601 -4.2601 -4.2597 -4.2597 -4.1269 -4.1269 -3.3862 -3.3862 -3.3758 -3.3758 -3.3524 -3.3524 -2.8157 -2.8157 -2.7418 -2.7418 -2.7257 -2.7257 -1.7721 -1.7721 -1.7635 -1.7635 -1.7226 -1.7226 -1.6963 -1.6963 -1.6484 -1.6484 -1.6254 -1.6254 -1.2647 -1.2647 -1.2350 -1.2350 -1.2279 -1.2279 5.0141 5.0141 5.0172 5.0172 5.0612 5.0612 6.5585 6.5585 6.5599 6.5599 6.6330 6.6330 6.7826 6.7826 k = 0.1324 0.0764 0.0540 ( 11296 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4355 -29.4355 -21.1939 -21.1939 -20.9676 -20.9676 -20.9667 -20.9667 -20.6323 -20.6323 -20.5875 -20.5875 -20.5790 -20.5790 -4.2516 -4.2516 -4.2511 -4.2511 -4.1124 -4.1124 -3.3789 -3.3789 -3.3655 -3.3655 -3.3427 -3.3427 -2.8210 -2.8210 -2.7467 -2.7467 -2.7274 -2.7274 -1.7856 -1.7856 -1.7795 -1.7795 -1.7390 -1.7390 -1.6937 -1.6937 -1.6587 -1.6587 -1.6332 -1.6332 -1.2712 -1.2712 -1.2420 -1.2420 -1.2328 -1.2328 5.0279 5.0279 5.0319 5.0319 5.0753 5.0753 6.5773 6.5773 6.5791 6.5791 6.6688 6.6688 6.7708 6.7708 k = 0.1471 0.0849 0.0600 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4356 -29.4356 -29.4356 -29.4356 -21.1886 -21.1886 -20.9653 -20.9653 -20.9642 -20.9642 -20.6362 -20.6362 -20.5918 -20.5918 -20.5816 -20.5816 -4.2422 -4.2422 -4.2417 -4.2417 -4.0964 -4.0964 -3.3708 -3.3708 -3.3541 -3.3541 -3.3319 -3.3319 -2.8274 -2.8274 -2.7518 -2.7518 -2.7295 -2.7295 -1.8011 -1.8011 -1.7981 -1.7981 -1.7587 -1.7587 -1.6905 -1.6905 -1.6673 -1.6673 -1.6409 -1.6409 -1.2785 -1.2785 -1.2497 -1.2497 -1.2383 -1.2383 5.0431 5.0431 5.0479 5.0479 5.0908 5.0908 6.5978 6.5978 6.6001 6.6001 6.7067 6.7067 6.7596 6.7596 k = 0.1618 0.0934 0.0660 ( 11296 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4356 -29.4356 -21.1828 -21.1828 -20.9629 -20.9629 -20.9616 -20.9616 -20.6407 -20.6407 -20.5963 -20.5963 -20.5844 -20.5844 -4.2321 -4.2321 -4.2314 -4.2314 -4.0789 -4.0789 -3.3620 -3.3620 -3.3415 -3.3415 -3.3199 -3.3199 -2.8349 -2.8349 -2.7571 -2.7571 -2.7319 -2.7319 -1.8192 -1.8192 -1.8186 -1.8186 -1.7814 -1.7814 -1.6875 -1.6875 -1.6737 -1.6737 -1.6482 -1.6482 -1.2866 -1.2866 -1.2582 -1.2582 -1.2442 -1.2442 5.0595 5.0595 5.0654 5.0654 5.1077 5.1077 6.6198 6.6198 6.6227 6.6227 6.7301 6.7301 6.7525 6.7525 k = 0.1765 0.1019 0.0720 ( 11296 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4356 -29.4356 -21.1766 -21.1766 -20.9603 -20.9603 -20.9588 -20.9588 -20.6457 -20.6457 -20.6009 -20.6009 -20.5874 -20.5874 -4.2212 -4.2212 -4.2204 -4.2204 -4.0600 -4.0600 -3.3524 -3.3524 -3.3279 -3.3279 -3.3068 -3.3068 -2.8435 -2.8435 -2.7624 -2.7624 -2.7347 -2.7347 -1.8426 -1.8426 -1.8382 -1.8382 -1.8066 -1.8066 -1.6873 -1.6873 -1.6754 -1.6754 -1.6550 -1.6550 -1.2954 -1.2954 -1.2674 -1.2674 -1.2505 -1.2505 5.0772 5.0772 5.0841 5.0841 5.1258 5.1258 6.6428 6.6428 6.6467 6.6467 6.7211 6.7211 6.7386 6.7386 k = 0.1912 0.1104 0.0780 ( 11296 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4356 -29.4356 -21.1698 -21.1698 -20.9575 -20.9575 -20.9557 -20.9557 -20.6512 -20.6512 -20.6057 -20.6057 -20.5907 -20.5907 -4.2096 -4.2096 -4.2087 -4.2087 -4.0397 -4.0397 -3.3422 -3.3422 -3.3132 -3.3132 -3.2926 -3.2926 -2.8531 -2.8531 -2.7679 -2.7679 -2.7378 -2.7378 -1.8684 -1.8684 -1.8597 -1.8597 -1.8338 -1.8338 -1.6907 -1.6907 -1.6721 -1.6721 -1.6611 -1.6611 -1.3049 -1.3049 -1.2773 -1.2773 -1.2573 -1.2573 5.0961 5.0961 5.1041 5.1041 5.1450 5.1450 6.6650 6.6650 6.6714 6.6714 6.7077 6.7077 6.7243 6.7243 k = 0.2059 0.1189 0.0841 ( 11296 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4356 -29.4356 -21.1626 -21.1626 -20.9545 -20.9545 -20.9525 -20.9525 -20.6573 -20.6573 -20.6106 -20.6106 -20.5941 -20.5941 -4.1975 -4.1975 -4.1964 -4.1964 -4.0181 -4.0181 -3.3312 -3.3312 -3.2975 -3.2975 -3.2773 -3.2773 -2.8638 -2.8638 -2.7734 -2.7734 -2.7414 -2.7414 -1.8964 -1.8964 -1.8830 -1.8830 -1.8624 -1.8624 -1.6946 -1.6946 -1.6668 -1.6668 -1.6665 -1.6665 -1.3150 -1.3150 -1.2878 -1.2878 -1.2644 -1.2644 5.1159 5.1159 5.1251 5.1251 5.1653 5.1653 6.6744 6.6744 6.6920 6.6920 6.7064 6.7064 6.7144 6.7144 k = 0.2206 0.1274 0.0901 ( 11302 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4357 -29.4357 -21.1550 -21.1550 -20.9515 -20.9515 -20.9492 -20.9492 -20.6640 -20.6640 -20.6154 -20.6154 -20.5976 -20.5976 -4.1848 -4.1848 -4.1836 -4.1836 -3.9953 -3.9953 -3.3195 -3.3195 -3.2807 -3.2807 -3.2611 -3.2611 -2.8754 -2.8754 -2.7790 -2.7790 -2.7454 -2.7454 -1.9267 -1.9267 -1.9080 -1.9080 -1.8920 -1.8920 -1.6981 -1.6981 -1.6711 -1.6711 -1.6608 -1.6608 -1.3258 -1.3258 -1.2989 -1.2989 -1.2719 -1.2719 5.1367 5.1367 5.1470 5.1470 5.1865 5.1865 6.6610 6.6610 6.6858 6.6858 6.7273 6.7273 6.7313 6.7313 k = 0.2353 0.1358 0.0961 ( 11314 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4358 -29.4358 -29.4357 -29.4357 -21.1470 -21.1470 -20.9483 -20.9483 -20.9457 -20.9457 -20.6712 -20.6712 -20.6202 -20.6202 -20.6013 -20.6013 -4.1716 -4.1716 -4.1704 -4.1704 -3.9714 -3.9714 -3.3072 -3.3072 -3.2631 -3.2631 -3.2438 -3.2438 -2.8879 -2.8879 -2.7848 -2.7848 -2.7498 -2.7498 -1.9591 -1.9591 -1.9344 -1.9344 -1.9223 -1.9223 -1.7009 -1.7009 -1.6748 -1.6748 -1.6541 -1.6541 -1.3372 -1.3372 -1.3105 -1.3105 -1.2797 -1.2797 5.1583 5.1583 5.1698 5.1698 5.2085 5.2085 6.6422 6.6422 6.6694 6.6694 6.7457 6.7457 6.7586 6.7586 k = 0.2500 0.1443 0.1021 ( 11309 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.1386 -21.1386 -20.9450 -20.9450 -20.9421 -20.9421 -20.6790 -20.6790 -20.6250 -20.6250 -20.6051 -20.6051 -4.1582 -4.1582 -4.1568 -4.1568 -3.9465 -3.9465 -3.2943 -3.2943 -3.2445 -3.2445 -3.2257 -3.2257 -2.9011 -2.9011 -2.7908 -2.7908 -2.7547 -2.7547 -1.9935 -1.9935 -1.9621 -1.9621 -1.9530 -1.9530 -1.7030 -1.7030 -1.6776 -1.6776 -1.6470 -1.6470 -1.3491 -1.3491 -1.3227 -1.3227 -1.2878 -1.2878 5.1806 5.1806 5.1933 5.1933 5.2312 5.2312 6.6217 6.6217 6.6513 6.6513 6.7309 6.7309 6.7843 6.7843 k = 0.2647 0.1528 0.1081 ( 11306 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.1299 -21.1299 -20.9416 -20.9416 -20.9384 -20.9384 -20.6872 -20.6872 -20.6297 -20.6297 -20.6090 -20.6090 -4.1444 -4.1444 -4.1429 -4.1429 -3.9207 -3.9207 -3.2808 -3.2808 -3.2252 -3.2252 -3.2067 -3.2067 -2.9149 -2.9149 -2.7970 -2.7970 -2.7599 -2.7599 -2.0295 -2.0295 -1.9908 -1.9908 -1.9841 -1.9841 -1.7043 -1.7043 -1.6795 -1.6795 -1.6395 -1.6395 -1.3615 -1.3615 -1.3353 -1.3353 -1.2963 -1.2963 5.2034 5.2034 5.2173 5.2173 5.2545 5.2545 6.6002 6.6002 6.6324 6.6324 6.7120 6.7120 6.8126 6.8126 k = 0.2794 0.1613 0.1141 ( 11297 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.1209 -21.1209 -20.9382 -20.9382 -20.9347 -20.9347 -20.6959 -20.6959 -20.6343 -20.6343 -20.6129 -20.6129 -4.1305 -4.1305 -4.1289 -4.1289 -3.8941 -3.8941 -3.2669 -3.2669 -3.2051 -3.2051 -3.1870 -3.1870 -2.9291 -2.9291 -2.8033 -2.8033 -2.7655 -2.7655 -2.0668 -2.0668 -2.0204 -2.0204 -2.0154 -2.0154 -1.7049 -1.7049 -1.6805 -1.6805 -1.6317 -1.6317 -1.3744 -1.3744 -1.3483 -1.3483 -1.3050 -1.3050 5.2267 5.2267 5.2417 5.2417 5.2781 5.2781 6.5782 6.5782 6.6130 6.6130 6.6924 6.6924 6.8415 6.8415 k = 0.2941 0.1698 0.1201 ( 11297 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.1116 -21.1116 -20.9347 -20.9347 -20.9310 -20.9310 -20.7049 -20.7049 -20.6388 -20.6388 -20.6169 -20.6169 -4.1166 -4.1166 -4.1149 -4.1149 -3.8669 -3.8669 -3.2526 -3.2526 -3.1843 -3.1843 -3.1667 -3.1667 -2.9436 -2.9436 -2.8099 -2.8099 -2.7714 -2.7714 -2.1050 -2.1050 -2.0506 -2.0506 -2.0469 -2.0469 -1.7046 -1.7046 -1.6806 -1.6806 -1.6236 -1.6236 -1.3876 -1.3876 -1.3617 -1.3617 -1.3140 -1.3140 5.2502 5.2502 5.2663 5.2663 5.3018 5.3018 6.5558 6.5558 6.5932 6.5932 6.6725 6.6725 6.8703 6.8703 k = 0.3088 0.1783 0.1261 ( 11309 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4360 -29.4360 -29.4358 -29.4358 -21.1022 -21.1022 -20.9313 -20.9313 -20.9272 -20.9272 -20.7143 -20.7143 -20.6432 -20.6432 -20.6208 -20.6208 -4.1028 -4.1028 -4.1010 -4.1010 -3.8392 -3.8392 -3.2383 -3.2383 -3.1630 -3.1630 -3.1458 -3.1458 -2.9580 -2.9580 -2.8165 -2.8165 -2.7776 -2.7776 -2.1438 -2.1438 -2.0812 -2.0812 -2.0785 -2.0785 -1.7034 -1.7034 -1.6797 -1.6797 -1.6151 -1.6151 -1.4011 -1.4011 -1.3754 -1.3754 -1.3232 -1.3232 5.2739 5.2739 5.2910 5.2910 5.3257 5.3257 6.5331 6.5331 6.5731 6.5731 6.6525 6.6525 6.8988 6.8988 k = 0.3235 0.1868 0.1321 ( 11291 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0925 -21.0925 -20.9279 -20.9279 -20.9235 -20.9235 -20.7239 -20.7239 -20.6474 -20.6474 -20.6247 -20.6247 -4.0892 -4.0892 -4.0873 -4.0873 -3.8112 -3.8112 -3.2240 -3.2240 -3.1413 -3.1413 -3.1244 -3.1244 -2.9720 -2.9720 -2.8233 -2.8233 -2.7840 -2.7840 -2.1830 -2.1830 -2.1120 -2.1120 -2.1100 -2.1100 -1.7014 -1.7014 -1.6778 -1.6778 -1.6065 -1.6065 -1.4149 -1.4149 -1.3892 -1.3892 -1.3326 -1.3326 5.2974 5.2974 5.3154 5.3154 5.3493 5.3493 6.5105 6.5105 6.5531 6.5531 6.6325 6.6325 6.9266 6.9266 k = 0.3382 0.1953 0.1381 ( 11261 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0829 -21.0829 -20.9245 -20.9245 -20.9199 -20.9199 -20.7336 -20.7336 -20.6514 -20.6514 -20.6285 -20.6285 -4.0760 -4.0760 -4.0740 -4.0740 -3.7832 -3.7832 -3.2104 -3.2104 -3.1193 -3.1193 -3.1029 -3.1029 -2.9851 -2.9851 -2.8301 -2.8301 -2.7905 -2.7905 -2.2221 -2.2221 -2.1427 -2.1427 -2.1412 -2.1412 -1.6985 -1.6985 -1.6750 -1.6750 -1.5976 -1.5976 -1.4288 -1.4288 -1.4033 -1.4033 -1.3421 -1.3421 5.3207 5.3207 5.3395 5.3395 5.3725 5.3725 6.4880 6.4880 6.5332 6.5332 6.6127 6.6127 6.9536 6.9536 k = 0.3529 0.2038 0.1441 ( 11297 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0732 -21.0732 -20.9213 -20.9213 -20.9164 -20.9164 -20.7434 -20.7434 -20.6553 -20.6553 -20.6322 -20.6322 -4.0633 -4.0633 -4.0612 -4.0612 -3.7553 -3.7553 -3.1980 -3.1980 -3.0972 -3.0972 -3.0813 -3.0813 -2.9966 -2.9966 -2.8369 -2.8369 -2.7970 -2.7970 -2.2609 -2.2609 -2.1731 -2.1731 -2.1718 -2.1718 -1.6947 -1.6947 -1.6713 -1.6713 -1.5886 -1.5886 -1.4428 -1.4428 -1.4174 -1.4174 -1.3518 -1.3518 5.3434 5.3434 5.3629 5.3629 5.3951 5.3951 6.4660 6.4660 6.5137 6.5137 6.5933 6.5933 6.9793 6.9793 k = 0.3676 0.2123 0.1501 ( 11309 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0635 -21.0635 -20.9182 -20.9182 -20.9130 -20.9130 -20.7531 -20.7531 -20.6589 -20.6589 -20.6358 -20.6358 -4.0512 -4.0512 -4.0490 -4.0490 -3.7278 -3.7278 -3.1876 -3.1876 -3.0753 -3.0753 -3.0601 -3.0601 -3.0055 -3.0055 -2.8435 -2.8435 -2.8034 -2.8034 -2.2990 -2.2990 -2.2028 -2.2028 -2.2017 -2.2017 -1.6902 -1.6902 -1.6667 -1.6667 -1.5794 -1.5794 -1.4568 -1.4568 -1.4315 -1.4315 -1.3615 -1.3615 5.3654 5.3654 5.3855 5.3855 5.4168 5.4168 6.4447 6.4447 6.4948 6.4948 6.5747 6.5747 7.0037 7.0037 k = 0.3824 0.2208 0.1561 ( 11291 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4359 -29.4359 -21.0541 -21.0541 -20.9152 -20.9152 -20.9098 -20.9098 -20.7627 -20.7627 -20.6623 -20.6623 -20.6391 -20.6391 -4.0398 -4.0398 -4.0376 -4.0376 -3.7010 -3.7010 -3.1803 -3.1803 -3.0537 -3.0537 -3.0401 -3.0401 -3.0102 -3.0102 -2.8499 -2.8499 -2.8096 -2.8096 -2.3359 -2.3359 -2.2315 -2.2315 -2.2305 -2.2305 -1.6849 -1.6849 -1.6613 -1.6613 -1.5702 -1.5702 -1.4706 -1.4706 -1.4455 -1.4455 -1.3712 -1.3712 5.3864 5.3864 5.4069 5.4069 5.4374 5.4374 6.4243 6.4243 6.4767 6.4767 6.5569 6.5569 7.0263 7.0263 k = 0.3971 0.2292 0.1621 ( 11291 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4359 -29.4359 -21.0450 -21.0450 -20.9125 -20.9125 -20.9069 -20.9069 -20.7719 -20.7719 -20.6654 -20.6654 -20.6422 -20.6422 -4.0294 -4.0294 -4.0272 -4.0272 -3.6753 -3.6753 -3.1769 -3.1769 -3.0329 -3.0329 -3.0243 -3.0243 -3.0071 -3.0071 -2.8560 -2.8560 -2.8154 -2.8154 -2.3712 -2.3712 -2.2588 -2.2588 -2.2578 -2.2578 -1.6789 -1.6789 -1.6552 -1.6552 -1.5610 -1.5610 -1.4842 -1.4842 -1.4592 -1.4592 -1.3808 -1.3808 5.4060 5.4060 5.4268 5.4268 5.4565 5.4565 6.4052 6.4052 6.4598 6.4598 6.5403 6.5403 7.0469 7.0469 k = 0.4118 0.2377 0.1681 ( 11273 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0365 -21.0365 -20.9101 -20.9101 -20.9042 -20.9042 -20.7806 -20.7806 -20.6682 -20.6682 -20.6449 -20.6449 -4.0201 -4.0201 -4.0178 -4.0178 -3.6511 -3.6511 -3.1775 -3.1775 -3.0161 -3.0161 -3.0132 -3.0132 -2.9933 -2.9933 -2.8616 -2.8616 -2.8208 -2.8208 -2.4044 -2.4044 -2.2842 -2.2842 -2.2832 -2.2832 -1.6724 -1.6724 -1.6486 -1.6486 -1.5520 -1.5520 -1.4974 -1.4974 -1.4725 -1.4725 -1.3902 -1.3902 5.4240 5.4240 5.4450 5.4450 5.4739 5.4739 6.3877 6.3877 6.4442 6.4442 6.5251 6.5251 7.0654 7.0654 k = 0.4265 0.2462 0.1741 ( 11294 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0285 -21.0285 -20.9079 -20.9079 -20.9019 -20.9019 -20.7887 -20.7887 -20.6706 -20.6706 -20.6474 -20.6474 -4.0119 -4.0119 -4.0096 -4.0096 -3.6289 -3.6289 -3.1814 -3.1814 -3.0087 -3.0087 -2.9951 -2.9951 -2.9766 -2.9766 -2.8666 -2.8666 -2.8256 -2.8256 -2.4348 -2.4348 -2.3072 -2.3072 -2.3062 -2.3062 -1.6655 -1.6655 -1.6416 -1.6416 -1.5434 -1.5434 -1.5100 -1.5100 -1.4853 -1.4853 -1.3992 -1.3992 5.4400 5.4400 5.4611 5.4611 5.4892 5.4892 6.3721 6.3721 6.4304 6.4304 6.5116 6.5116 7.0814 7.0814 k = 0.4412 0.2547 0.1801 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0216 -21.0216 -20.9061 -20.9061 -20.8999 -20.8999 -20.7958 -20.7958 -20.6727 -20.6727 -20.6494 -20.6494 -4.0050 -4.0050 -4.0027 -4.0027 -3.6093 -3.6093 -3.1874 -3.1874 -3.0002 -3.0002 -2.9790 -2.9790 -2.9609 -2.9609 -2.8711 -2.8711 -2.8298 -2.8298 -2.4615 -2.4615 -2.3273 -2.3273 -2.3262 -2.3262 -1.6586 -1.6586 -1.6344 -1.6344 -1.5352 -1.5352 -1.5217 -1.5217 -1.4970 -1.4970 -1.4076 -1.4076 5.4537 5.4537 5.4748 5.4748 5.5023 5.5023 6.3588 6.3588 6.4186 6.4186 6.5002 6.5002 7.0948 7.0948 k = 0.4559 0.2632 0.1861 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0157 -21.0157 -20.9046 -20.9046 -20.8984 -20.8984 -20.8017 -20.8017 -20.6743 -20.6743 -20.6511 -20.6511 -3.9996 -3.9996 -3.9972 -3.9972 -3.5929 -3.5929 -3.1940 -3.1940 -2.9915 -2.9915 -2.9657 -2.9657 -2.9476 -2.9476 -2.8748 -2.8748 -2.8332 -2.8332 -2.4838 -2.4838 -2.3438 -2.3438 -2.3427 -2.3427 -1.6519 -1.6519 -1.6276 -1.6276 -1.5320 -1.5320 -1.5280 -1.5280 -1.5075 -1.5075 -1.4151 -1.4151 5.4647 5.4647 5.4858 5.4858 5.5128 5.5128 6.3480 6.3480 6.4090 6.4090 6.4909 6.4909 7.1054 7.1055 k = 0.4706 0.2717 0.1921 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0113 -21.0113 -20.9036 -20.9036 -20.8972 -20.8972 -20.8062 -20.8062 -20.6755 -20.6755 -20.6522 -20.6522 -3.9956 -3.9956 -3.9933 -3.9933 -3.5806 -3.5806 -3.1997 -3.1997 -2.9840 -2.9840 -2.9556 -2.9556 -2.9372 -2.9372 -2.8777 -2.8777 -2.8356 -2.8356 -2.5007 -2.5007 -2.3561 -2.3561 -2.3550 -2.3550 -1.6462 -1.6462 -1.6218 -1.6218 -1.5403 -1.5403 -1.5221 -1.5221 -1.5160 -1.5160 -1.4211 -1.4211 5.4729 5.4729 5.4939 5.4939 5.5204 5.5204 6.3400 6.3400 6.4020 6.4020 6.4842 6.4842 7.1131 7.1131 k = 0.4853 0.2802 0.1981 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0086 -21.0086 -20.9029 -20.9029 -20.8965 -20.8965 -20.8090 -20.8090 -20.6762 -20.6762 -20.6530 -20.6530 -3.9932 -3.9932 -3.9909 -3.9909 -3.5728 -3.5728 -3.2037 -3.2037 -2.9790 -2.9790 -2.9493 -2.9493 -2.9307 -2.9307 -2.8796 -2.8796 -2.8372 -2.8372 -2.5113 -2.5113 -2.3637 -2.3637 -2.3626 -2.3626 -1.6423 -1.6423 -1.6177 -1.6177 -1.5459 -1.5459 -1.5216 -1.5216 -1.5182 -1.5182 -1.4251 -1.4251 5.4778 5.4778 5.4988 5.4988 5.5251 5.5251 6.3352 6.3352 6.3977 6.3977 6.4800 6.4800 7.1177 7.1177 k = 0.5000 0.2887 0.2041 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0076 -21.0076 -20.9027 -20.9027 -20.8963 -20.8963 -20.8100 -20.8100 -20.6764 -20.6764 -20.6532 -20.6532 -3.9924 -3.9924 -3.9900 -3.9900 -3.5702 -3.5702 -3.2050 -3.2050 -2.9772 -2.9772 -2.9472 -2.9472 -2.9284 -2.9284 -2.8802 -2.8802 -2.8377 -2.8377 -2.5149 -2.5149 -2.3663 -2.3663 -2.3652 -2.3652 -1.6408 -1.6408 -1.6162 -1.6162 -1.5478 -1.5478 -1.5236 -1.5236 -1.5168 -1.5168 -1.4265 -1.4265 5.4795 5.4795 5.5005 5.5005 5.5267 5.5267 6.3335 6.3335 6.3963 6.3963 6.4786 6.4786 7.1193 7.1193 k = 0.5000 0.2887 0.2041 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0076 -21.0076 -20.9027 -20.9027 -20.8963 -20.8963 -20.8100 -20.8100 -20.6764 -20.6764 -20.6532 -20.6532 -3.9924 -3.9924 -3.9900 -3.9900 -3.5702 -3.5702 -3.2050 -3.2050 -2.9772 -2.9772 -2.9472 -2.9472 -2.9284 -2.9284 -2.8802 -2.8802 -2.8377 -2.8377 -2.5149 -2.5149 -2.3663 -2.3663 -2.3652 -2.3652 -1.6408 -1.6408 -1.6162 -1.6162 -1.5478 -1.5478 -1.5236 -1.5236 -1.5168 -1.5168 -1.4265 -1.4265 5.4795 5.4795 5.5005 5.5005 5.5267 5.5267 6.3335 6.3335 6.3963 6.3963 6.4786 6.4786 7.1193 7.1193 k = 0.5052 0.2736 0.2126 ( 11280 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0078 -21.0078 -20.9036 -20.9036 -20.8971 -20.8971 -20.8085 -20.8085 -20.6762 -20.6762 -20.6530 -20.6530 -3.9947 -3.9947 -3.9912 -3.9912 -3.5708 -3.5708 -3.2023 -3.2023 -2.9793 -2.9793 -2.9481 -2.9481 -2.9294 -2.9294 -2.8775 -2.8775 -2.8354 -2.8354 -2.5133 -2.5133 -2.3655 -2.3655 -2.3642 -2.3642 -1.6415 -1.6415 -1.6169 -1.6169 -1.5495 -1.5495 -1.5272 -1.5272 -1.5127 -1.5127 -1.4266 -1.4266 5.4792 5.4792 5.5002 5.5002 5.5264 5.5264 6.3341 6.3341 6.3967 6.3967 6.4791 6.4791 7.1182 7.1183 k = 0.5104 0.2586 0.2211 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0084 -21.0084 -20.9068 -20.9068 -20.8985 -20.8985 -20.8044 -20.8044 -20.6756 -20.6756 -20.6524 -20.6524 -4.0034 -4.0034 -3.9928 -3.9928 -3.5728 -3.5728 -3.1943 -3.1943 -2.9851 -2.9851 -2.9509 -2.9509 -2.9318 -2.9318 -2.8705 -2.8705 -2.8286 -2.8286 -2.5085 -2.5085 -2.3637 -2.3637 -2.3607 -2.3607 -1.6437 -1.6437 -1.6191 -1.6191 -1.5542 -1.5542 -1.5323 -1.5323 -1.5064 -1.5064 -1.4270 -1.4270 5.4785 5.4785 5.4992 5.4992 5.5254 5.5254 6.3360 6.3360 6.3979 6.3979 6.4803 6.4803 7.1147 7.1147 k = 0.5156 0.2436 0.2296 ( 11293 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0093 -21.0093 -20.9125 -20.9125 -20.8997 -20.8997 -20.7984 -20.7984 -20.6745 -20.6745 -20.6515 -20.6515 -4.0178 -4.0178 -3.9950 -3.9950 -3.5759 -3.5759 -3.1817 -3.1817 -2.9930 -2.9930 -2.9555 -2.9555 -2.9347 -2.9347 -2.8611 -2.8611 -2.8175 -2.8175 -2.5006 -2.5006 -2.3609 -2.3609 -2.3546 -2.3546 -1.6473 -1.6473 -1.6226 -1.6226 -1.5616 -1.5616 -1.5372 -1.5372 -1.5001 -1.5001 -1.4274 -1.4274 5.4771 5.4771 5.4977 5.4977 5.5239 5.5239 6.3390 6.3390 6.4000 6.4000 6.4824 6.4824 7.1085 7.1085 k = 0.5208 0.2285 0.2381 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0105 -21.0105 -20.9201 -20.9201 -20.9007 -20.9007 -20.7911 -20.7911 -20.6731 -20.6731 -20.6501 -20.6501 -4.0369 -4.0369 -3.9979 -3.9979 -3.5803 -3.5803 -3.1652 -3.1652 -3.0019 -3.0019 -2.9620 -2.9620 -2.9369 -2.9369 -2.8508 -2.8508 -2.8028 -2.8028 -2.4898 -2.4898 -2.3570 -2.3570 -2.3462 -2.3462 -1.6525 -1.6525 -1.6273 -1.6273 -1.5707 -1.5707 -1.5423 -1.5423 -1.4940 -1.4940 -1.4279 -1.4279 5.4749 5.4749 5.4957 5.4957 5.5221 5.5221 6.3431 6.3431 6.4029 6.4029 6.4853 6.4853 7.0995 7.0995 k = 0.5260 0.2135 0.2467 ( 11288 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0121 -21.0121 -20.9287 -20.9287 -20.9018 -20.9018 -20.7831 -20.7831 -20.6713 -20.6713 -20.6482 -20.6482 -4.0600 -4.0600 -4.0017 -4.0017 -3.5857 -3.5857 -3.1460 -3.1460 -3.0109 -3.0109 -2.9700 -2.9700 -2.9381 -2.9381 -2.8399 -2.8399 -2.7853 -2.7853 -2.4765 -2.4765 -2.3520 -2.3520 -2.3356 -2.3356 -1.6595 -1.6595 -1.6334 -1.6334 -1.5809 -1.5809 -1.5481 -1.5481 -1.4886 -1.4886 -1.4283 -1.4283 5.4716 5.4716 5.4934 5.4934 5.5202 5.5202 6.3483 6.3483 6.4066 6.4066 6.4889 6.4889 7.0877 7.0877 k = 0.5312 0.1985 0.2552 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0140 -21.0140 -20.9378 -20.9378 -20.9029 -20.9029 -20.7747 -20.7747 -20.6692 -20.6692 -20.6460 -20.6460 -4.0860 -4.0860 -4.0062 -4.0062 -3.5921 -3.5921 -3.1252 -3.1252 -3.0192 -3.0192 -2.9789 -2.9789 -2.9381 -2.9381 -2.8285 -2.8285 -2.7659 -2.7659 -2.4608 -2.4608 -2.3459 -2.3459 -2.3230 -2.3230 -1.6682 -1.6682 -1.6407 -1.6407 -1.5917 -1.5917 -1.5546 -1.5546 -1.4842 -1.4842 -1.4282 -1.4282 5.4669 5.4669 5.4911 5.4911 5.5183 5.5183 6.3543 6.3543 6.4109 6.4109 6.4932 6.4932 7.0735 7.0735 k = 0.5365 0.1834 0.2637 ( 11284 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0162 -21.0162 -20.9472 -20.9472 -20.9042 -20.9042 -20.7663 -20.7663 -20.6669 -20.6669 -20.6433 -20.6433 -4.1143 -4.1143 -4.0114 -4.0114 -3.5994 -3.5994 -3.1049 -3.1049 -3.0261 -3.0261 -2.9876 -2.9876 -2.9370 -2.9370 -2.8168 -2.8168 -2.7451 -2.7451 -2.4430 -2.4430 -2.3387 -2.3387 -2.3086 -2.3086 -1.6789 -1.6789 -1.6496 -1.6496 -1.6026 -1.6026 -1.5621 -1.5621 -1.4812 -1.4812 -1.4273 -1.4273 5.4606 5.4606 5.4891 5.4891 5.5166 5.5166 6.3610 6.3610 6.4159 6.4159 6.4982 6.4982 7.0572 7.0572 k = 0.5417 0.1684 0.2722 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4360 -29.4360 -21.0187 -21.0187 -20.9567 -20.9567 -20.9057 -20.9057 -20.7580 -20.7580 -20.6645 -20.6645 -20.6402 -20.6402 -4.1441 -4.1441 -4.0173 -4.0173 -3.6077 -3.6077 -3.0883 -3.0883 -3.0296 -3.0296 -2.9947 -2.9947 -2.9347 -2.9347 -2.8047 -2.8047 -2.7234 -2.7234 -2.4233 -2.4233 -2.3302 -2.3302 -2.2926 -2.2926 -1.6913 -1.6913 -1.6606 -1.6606 -1.6128 -1.6128 -1.5705 -1.5705 -1.4799 -1.4799 -1.4252 -1.4252 5.4527 5.4527 5.4875 5.4875 5.5151 5.5151 6.3683 6.3683 6.4214 6.4214 6.5038 6.5038 7.0392 7.0392 k = 0.5469 0.1534 0.2807 ( 11277 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4359 -29.4359 -21.0214 -21.0214 -20.9660 -20.9660 -20.9073 -20.9073 -20.7498 -20.7498 -20.6619 -20.6619 -20.6366 -20.6366 -4.1747 -4.1747 -4.0239 -4.0239 -3.6167 -3.6167 -3.0813 -3.0813 -3.0262 -3.0262 -2.9980 -2.9980 -2.9312 -2.9312 -2.7924 -2.7924 -2.7011 -2.7011 -2.4021 -2.4021 -2.3206 -2.3206 -2.2752 -2.2752 -1.7056 -1.7056 -1.6739 -1.6739 -1.6219 -1.6219 -1.5797 -1.5797 -1.4805 -1.4805 -1.4217 -1.4217 5.4433 5.4433 5.4863 5.4863 5.5138 5.5138 6.3760 6.3760 6.4275 6.4275 6.5100 6.5100 7.0200 7.0200 k = 0.5521 0.1383 0.2892 ( 11285 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0242 -21.0242 -20.9751 -20.9751 -20.9090 -20.9090 -20.7420 -20.7420 -20.6592 -20.6592 -20.6327 -20.6327 -4.2056 -4.2056 -4.0311 -4.0311 -3.6264 -3.6264 -3.0855 -3.0855 -3.0198 -3.0198 -2.9924 -2.9924 -2.9266 -2.9266 -2.7799 -2.7799 -2.6785 -2.6785 -2.3795 -2.3795 -2.3098 -2.3098 -2.2566 -2.2566 -1.7216 -1.7216 -1.6896 -1.6896 -1.6299 -1.6299 -1.5898 -1.5898 -1.4830 -1.4830 -1.4170 -1.4170 5.4327 5.4327 5.4855 5.4855 5.5128 5.5128 6.3839 6.3839 6.4340 6.4340 6.5167 6.5167 6.9998 6.9998 k = 0.5573 0.1233 0.2977 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0273 -21.0273 -20.9840 -20.9840 -20.9108 -20.9108 -20.7344 -20.7344 -20.6565 -20.6565 -20.6285 -20.6285 -4.2363 -4.2363 -4.0388 -4.0388 -3.6368 -3.6368 -3.0958 -3.0958 -3.0170 -3.0170 -2.9762 -2.9762 -2.9207 -2.9207 -2.7675 -2.7675 -2.6557 -2.6557 -2.3560 -2.3560 -2.2977 -2.2977 -2.2371 -2.2371 -1.7391 -1.7391 -1.7074 -1.7074 -1.6369 -1.6369 -1.6005 -1.6005 -1.4871 -1.4871 -1.4113 -1.4113 5.4210 5.4210 5.4850 5.4850 5.5120 5.5120 6.3918 6.3918 6.4409 6.4409 6.5238 6.5238 6.9791 6.9791 k = 0.5625 0.1083 0.3062 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0305 -21.0305 -20.9925 -20.9925 -20.9128 -20.9128 -20.7272 -20.7272 -20.6537 -20.6537 -20.6242 -20.6242 -4.2665 -4.2665 -4.0470 -4.0470 -3.6477 -3.6477 -3.1090 -3.1090 -3.0150 -3.0150 -2.9557 -2.9557 -2.9136 -2.9136 -2.7551 -2.7551 -2.6329 -2.6329 -2.3318 -2.3318 -2.2843 -2.2843 -2.2169 -2.2169 -1.7581 -1.7581 -1.7271 -1.7271 -1.6432 -1.6432 -1.6119 -1.6119 -1.4925 -1.4925 -1.4049 -1.4049 5.4084 5.4084 5.4849 5.4849 5.5116 5.5116 6.3996 6.3996 6.4481 6.4481 6.5314 6.5314 6.9582 6.9582 k = 0.5677 0.0932 0.3147 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0337 -21.0337 -21.0006 -21.0006 -20.9148 -20.9148 -20.7202 -20.7202 -20.6509 -20.6509 -20.6197 -20.6197 -4.2957 -4.2957 -4.0556 -4.0556 -3.6590 -3.6590 -3.1236 -3.1236 -3.0119 -3.0119 -2.9345 -2.9345 -2.9052 -2.9052 -2.7428 -2.7428 -2.6100 -2.6100 -2.3075 -2.3075 -2.2694 -2.2694 -2.1962 -2.1962 -1.7785 -1.7785 -1.7483 -1.7483 -1.6492 -1.6492 -1.6235 -1.6235 -1.4990 -1.4990 -1.3979 -1.3979 5.3951 5.3951 5.4851 5.4851 5.5115 5.5115 6.4071 6.4071 6.4553 6.4553 6.5395 6.5395 6.9375 6.9375 k = 0.5729 0.0782 0.3232 ( 11257 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0370 -21.0370 -21.0084 -21.0084 -20.9170 -20.9170 -20.7136 -20.7136 -20.6480 -20.6480 -20.6152 -20.6152 -4.3237 -4.3237 -4.0646 -4.0646 -3.6706 -3.6706 -3.1390 -3.1390 -3.0074 -3.0074 -2.9139 -2.9139 -2.8951 -2.8951 -2.7309 -2.7309 -2.5873 -2.5873 -2.2833 -2.2833 -2.2531 -2.2531 -2.1752 -2.1752 -1.8001 -1.8001 -1.7708 -1.7708 -1.6554 -1.6554 -1.6349 -1.6349 -1.5064 -1.5064 -1.3907 -1.3907 5.3810 5.3810 5.4856 5.4856 5.5117 5.5117 6.4142 6.4142 6.4626 6.4626 6.5480 6.5480 6.9174 6.9174 k = 0.5781 0.0631 0.3317 ( 11253 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0401 -21.0401 -21.0158 -21.0158 -20.9192 -20.9192 -20.7073 -20.7073 -20.6452 -20.6452 -20.6108 -20.6108 -4.3503 -4.3503 -4.0740 -4.0740 -3.6824 -3.6824 -3.1547 -3.1547 -3.0014 -3.0014 -2.8957 -2.8957 -2.8824 -2.8824 -2.7192 -2.7192 -2.5649 -2.5649 -2.2599 -2.2599 -2.2352 -2.2352 -2.1539 -2.1539 -1.8228 -1.8228 -1.7944 -1.7944 -1.6630 -1.6630 -1.6450 -1.6450 -1.5144 -1.5144 -1.3832 -1.3832 5.3665 5.3665 5.4865 5.4865 5.5123 5.5123 6.4207 6.4207 6.4697 6.4697 6.5569 6.5569 6.8982 6.8982 k = 0.5833 0.0481 0.3402 ( 11254 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0432 -21.0432 -21.0228 -21.0228 -20.9215 -20.9215 -20.7012 -20.7012 -20.6422 -20.6422 -20.6066 -20.6066 -4.3753 -4.3753 -4.0836 -4.0836 -3.6944 -3.6944 -3.1706 -3.1706 -2.9940 -2.9940 -2.8810 -2.8810 -2.8659 -2.8659 -2.7079 -2.7079 -2.5430 -2.5430 -2.2375 -2.2375 -2.2157 -2.2157 -2.1327 -2.1327 -1.8465 -1.8465 -1.8188 -1.8188 -1.6732 -1.6732 -1.6524 -1.6524 -1.5232 -1.5232 -1.3755 -1.3755 5.3515 5.3515 5.4877 5.4877 5.5132 5.5132 6.4265 6.4265 6.4765 6.4765 6.5662 6.5662 6.8803 6.8803 k = 0.5885 0.0331 0.3487 ( 11248 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0461 -21.0461 -21.0295 -21.0295 -20.9238 -20.9238 -20.6954 -20.6954 -20.6393 -20.6393 -20.6028 -20.6028 -4.3984 -4.3984 -4.0934 -4.0934 -3.7063 -3.7063 -3.1865 -3.1865 -2.9853 -2.9853 -2.8681 -2.8681 -2.8478 -2.8478 -2.6971 -2.6971 -2.5216 -2.5216 -2.2159 -2.2159 -2.1951 -2.1951 -2.1115 -2.1115 -1.8709 -1.8709 -1.8438 -1.8438 -1.6857 -1.6857 -1.6575 -1.6575 -1.5324 -1.5324 -1.3678 -1.3678 5.3362 5.3362 5.4893 5.4893 5.5144 5.5144 6.4317 6.4317 6.4829 6.4829 6.5760 6.5760 6.8638 6.8638 k = 0.5938 0.0180 0.3572 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0486 -21.0486 -21.0359 -21.0359 -20.9262 -20.9262 -20.6898 -20.6898 -20.6363 -20.6363 -20.5992 -20.5992 -4.4197 -4.4197 -4.1034 -4.1034 -3.7180 -3.7180 -3.2021 -3.2021 -2.9755 -2.9755 -2.8555 -2.8555 -2.8297 -2.8297 -2.6866 -2.6866 -2.5010 -2.5010 -2.1950 -2.1950 -2.1743 -2.1743 -2.0906 -2.0906 -1.8957 -1.8957 -1.8691 -1.8691 -1.6995 -1.6995 -1.6613 -1.6613 -1.5421 -1.5421 -1.3601 -1.3601 5.3207 5.3207 5.4912 5.4912 5.5160 5.5160 6.4363 6.4363 6.4886 6.4886 6.5862 6.5862 6.8492 6.8492 k = 0.5990 0.0030 0.3657 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0509 -21.0509 -21.0419 -21.0419 -20.9286 -20.9286 -20.6845 -20.6845 -20.6333 -20.6333 -20.5961 -20.5961 -4.4389 -4.4389 -4.1135 -4.1135 -3.7296 -3.7296 -3.2176 -3.2176 -2.9646 -2.9646 -2.8427 -2.8427 -2.8120 -2.8120 -2.6766 -2.6766 -2.4816 -2.4816 -2.1742 -2.1742 -2.1541 -2.1541 -2.0701 -2.0701 -1.9208 -1.9208 -1.8943 -1.8943 -1.7138 -1.7138 -1.6642 -1.6642 -1.5521 -1.5521 -1.3524 -1.3524 5.3049 5.3049 5.4935 5.4935 5.5179 5.5179 6.4400 6.4400 6.4936 6.4936 6.5968 6.5968 6.8365 6.8365 k = 0.6042-0.0120 0.3742 ( 11254 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0527 -21.0527 -21.0477 -21.0477 -20.9310 -20.9310 -20.6794 -20.6794 -20.6303 -20.6303 -20.5935 -20.5935 -4.4560 -4.4560 -4.1236 -4.1236 -3.7407 -3.7407 -3.2327 -3.2327 -2.9530 -2.9530 -2.8299 -2.8299 -2.7950 -2.7950 -2.6670 -2.6670 -2.4635 -2.4635 -2.1537 -2.1537 -2.1351 -2.1351 -2.0506 -2.0506 -1.9454 -1.9454 -1.9187 -1.9187 -1.7283 -1.7283 -1.6665 -1.6665 -1.5625 -1.5625 -1.3448 -1.3448 5.2890 5.2890 5.4959 5.4959 5.5201 5.5201 6.4431 6.4431 6.4979 6.4979 6.6077 6.6077 6.8261 6.8261 k = 0.6094-0.0271 0.3827 ( 11251 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0544 -21.0544 -21.0529 -21.0529 -20.9334 -20.9334 -20.6745 -20.6745 -20.6273 -20.6273 -20.5915 -20.5915 -4.4710 -4.4710 -4.1338 -4.1338 -3.7515 -3.7515 -3.2474 -3.2474 -2.9407 -2.9407 -2.8172 -2.8172 -2.7786 -2.7786 -2.6576 -2.6576 -2.4471 -2.4471 -2.1342 -2.1342 -2.1176 -2.1176 -2.0336 -2.0336 -1.9685 -1.9685 -1.9405 -1.9405 -1.7428 -1.7428 -1.6682 -1.6682 -1.5730 -1.5730 -1.3372 -1.3372 5.2731 5.2731 5.4986 5.4986 5.5225 5.5225 6.4455 6.4455 6.5013 6.5013 6.6189 6.6189 6.8180 6.8180 k = 0.6146-0.0421 0.3912 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.0589 -21.0589 -21.0546 -21.0546 -20.9358 -20.9358 -20.6698 -20.6698 -20.6243 -20.6243 -20.5900 -20.5900 -4.4838 -4.4838 -4.1439 -4.1439 -3.7617 -3.7617 -3.2616 -3.2616 -2.9280 -2.9280 -2.8050 -2.8050 -2.7628 -2.7628 -2.6484 -2.6484 -2.4327 -2.4327 -2.1185 -2.1185 -2.1013 -2.1013 -2.0239 -2.0239 -1.9874 -1.9874 -1.9551 -1.9551 -1.7571 -1.7571 -1.6695 -1.6695 -1.5837 -1.5837 -1.3298 -1.3298 5.2572 5.2572 5.5015 5.5015 5.5251 5.5251 6.4472 6.4472 6.5039 6.5039 6.6303 6.6303 6.8123 6.8123 k = 0.6198-0.0571 0.3997 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.0640 -21.0640 -21.0549 -21.0549 -20.9383 -20.9383 -20.6653 -20.6653 -20.6213 -20.6213 -20.5891 -20.5891 -4.4943 -4.4943 -4.1539 -4.1539 -3.7712 -3.7712 -3.2755 -3.2755 -2.9150 -2.9150 -2.7935 -2.7935 -2.7475 -2.7475 -2.6393 -2.6393 -2.4206 -2.4206 -2.1115 -2.1115 -2.0857 -2.0857 -2.0279 -2.0279 -1.9986 -1.9986 -1.9548 -1.9548 -1.7709 -1.7709 -1.6704 -1.6704 -1.5944 -1.5944 -1.3225 -1.3225 5.2414 5.2414 5.5045 5.5045 5.5279 5.5279 6.4482 6.4482 6.5058 6.5058 6.6418 6.6418 6.8090 6.8090 k = 0.6250-0.0722 0.4082 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.6250-0.0722 0.4082 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.6161-0.0670 0.4228 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0691 -21.0691 -21.0546 -21.0546 -20.9403 -20.9403 -20.6619 -20.6619 -20.6178 -20.6178 -20.5887 -20.5887 -4.5032 -4.5032 -4.1637 -4.1637 -3.7789 -3.7789 -3.2880 -3.2880 -2.9056 -2.9056 -2.7803 -2.7803 -2.7380 -2.7380 -2.6256 -2.6256 -2.4111 -2.4111 -2.1182 -2.1182 -2.0745 -2.0745 -2.0351 -2.0351 -2.0003 -2.0003 -1.9415 -1.9415 -1.7861 -1.7861 -1.6721 -1.6721 -1.6028 -1.6028 -1.3159 -1.3159 5.2265 5.2265 5.5063 5.5063 5.5312 5.5312 6.4489 6.4489 6.5071 6.5071 6.6529 6.6529 6.7939 6.7939 k = 0.6071-0.0619 0.4374 ( 11261 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0693 -21.0693 -21.0547 -21.0547 -20.9394 -20.9394 -20.6642 -20.6642 -20.6162 -20.6162 -20.5885 -20.5885 -4.5046 -4.5046 -4.1633 -4.1633 -3.7754 -3.7754 -3.2858 -3.2858 -2.9154 -2.9154 -2.7726 -2.7726 -2.7516 -2.7516 -2.6141 -2.6141 -2.4113 -2.4113 -2.1223 -2.1223 -2.0678 -2.0678 -2.0365 -2.0365 -1.9974 -1.9974 -1.9406 -1.9406 -1.7929 -1.7929 -1.6758 -1.6758 -1.5964 -1.5964 -1.3177 -1.3177 5.2290 5.2290 5.5028 5.5028 5.5325 5.5325 6.4498 6.4498 6.5075 6.5075 6.6517 6.6517 6.7851 6.7851 k = 0.5982-0.0567 0.4520 ( 11269 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0697 -21.0697 -21.0550 -21.0550 -20.9380 -20.9380 -20.6676 -20.6676 -20.6139 -20.6139 -20.5883 -20.5883 -4.5069 -4.5069 -4.1626 -4.1626 -3.7698 -3.7698 -3.2821 -3.2821 -2.9295 -2.9295 -2.7707 -2.7707 -2.7612 -2.7612 -2.5993 -2.5993 -2.4116 -2.4116 -2.1268 -2.1268 -2.0596 -2.0596 -2.0377 -2.0377 -1.9932 -1.9932 -1.9390 -1.9390 -1.8031 -1.8031 -1.6819 -1.6819 -1.5868 -1.5868 -1.3208 -1.3208 5.2332 5.2332 5.4975 5.4975 5.5341 5.5341 6.4512 6.4512 6.5082 6.5082 6.6497 6.6497 6.7762 6.7762 k = 0.5893-0.0515 0.4666 ( 11263 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0701 -21.0701 -21.0553 -21.0553 -20.9360 -20.9360 -20.6717 -20.6717 -20.6112 -20.6112 -20.5879 -20.5879 -4.5098 -4.5098 -4.1617 -4.1617 -3.7622 -3.7622 -3.2769 -3.2769 -2.9463 -2.9463 -2.7912 -2.7912 -2.7493 -2.7493 -2.5832 -2.5832 -2.4122 -2.4122 -2.1305 -2.1305 -2.0533 -2.0533 -2.0362 -2.0362 -1.9879 -1.9879 -1.9369 -1.9369 -1.8158 -1.8158 -1.6904 -1.6904 -1.5747 -1.5747 -1.3250 -1.3250 5.2390 5.2390 5.4908 5.4908 5.5357 5.5357 6.4531 6.4531 6.5092 6.5092 6.6469 6.6469 6.7675 6.7675 k = 0.5804-0.0464 0.4811 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0706 -21.0706 -21.0558 -21.0558 -20.9337 -20.9337 -20.6763 -20.6763 -20.6086 -20.6086 -20.5874 -20.5874 -4.5133 -4.5133 -4.1607 -4.1607 -3.7530 -3.7530 -3.2702 -3.2702 -2.9647 -2.9647 -2.8129 -2.8129 -2.7368 -2.7368 -2.5672 -2.5672 -2.4131 -2.4131 -2.1327 -2.1327 -2.0520 -2.0520 -2.0291 -2.0291 -1.9820 -1.9820 -1.9343 -1.9343 -1.8299 -1.8299 -1.7012 -1.7012 -1.5610 -1.5610 -1.3303 -1.3303 5.2464 5.2464 5.4830 5.4830 5.5371 5.5371 6.4555 6.4555 6.5104 6.5104 6.6434 6.6434 6.7593 6.7593 k = 0.5714-0.0412 0.4957 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0710 -21.0710 -21.0563 -21.0563 -20.9311 -20.9311 -20.6810 -20.6810 -20.6061 -20.6061 -20.5868 -20.5868 -4.5171 -4.5171 -4.1597 -4.1597 -3.7425 -3.7425 -3.2621 -3.2621 -2.9843 -2.9843 -2.8348 -2.8348 -2.7245 -2.7245 -2.5518 -2.5518 -2.4146 -2.4146 -2.1331 -2.1331 -2.0537 -2.0537 -2.0188 -2.0188 -1.9755 -1.9755 -1.9313 -1.9313 -1.8448 -1.8448 -1.7143 -1.7143 -1.5464 -1.5464 -1.3369 -1.3369 5.2553 5.2553 5.4739 5.4739 5.5383 5.5383 6.4584 6.4584 6.5119 6.5119 6.6392 6.6392 6.7517 6.7517 k = 0.5625-0.0361 0.5103 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0714 -21.0714 -21.0570 -21.0570 -20.9284 -20.9284 -20.6857 -20.6857 -20.6039 -20.6039 -20.5860 -20.5860 -4.5211 -4.5211 -4.1585 -4.1585 -3.7313 -3.7313 -3.2526 -3.2526 -3.0044 -3.0044 -2.8560 -2.8560 -2.7129 -2.7129 -2.5373 -2.5373 -2.4165 -2.4165 -2.1315 -2.1315 -2.0563 -2.0563 -2.0080 -2.0080 -1.9685 -1.9685 -1.9281 -1.9281 -1.8596 -1.8596 -1.7296 -1.7296 -1.5311 -1.5311 -1.3445 -1.3445 5.2656 5.2656 5.4638 5.4638 5.5393 5.5393 6.4616 6.4616 6.5136 6.5136 6.6345 6.6345 6.7450 6.7450 k = 0.5536-0.0309 0.5249 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0717 -21.0717 -21.0577 -21.0577 -20.9256 -20.9256 -20.6901 -20.6901 -20.6021 -20.6021 -20.5852 -20.5852 -4.5250 -4.5250 -4.1574 -4.1574 -3.7198 -3.7198 -3.2417 -3.2417 -3.0249 -3.0249 -2.8760 -2.8760 -2.7023 -2.7023 -2.5240 -2.5240 -2.4190 -2.4190 -2.1277 -2.1277 -2.0591 -2.0591 -1.9976 -1.9976 -1.9613 -1.9613 -1.9247 -1.9247 -1.8732 -1.8732 -1.7468 -1.7468 -1.5156 -1.5156 -1.3531 -1.3531 5.2771 5.2771 5.4527 5.4527 5.5401 5.5401 6.4650 6.4650 6.5155 6.5155 6.6293 6.6293 6.7391 6.7391 k = 0.5446-0.0258 0.5395 ( 11265 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0718 -21.0718 -21.0586 -21.0586 -20.9229 -20.9229 -20.6942 -20.6942 -20.6006 -20.6006 -20.5843 -20.5843 -4.5287 -4.5287 -4.1564 -4.1564 -3.7087 -3.7087 -3.2295 -3.2295 -3.0456 -3.0456 -2.8942 -2.8942 -2.6929 -2.6929 -2.5121 -2.5121 -2.4218 -2.4218 -2.1220 -2.1220 -2.0619 -2.0619 -1.9888 -1.9888 -1.9539 -1.9539 -1.9213 -1.9213 -1.8844 -1.8844 -1.7659 -1.7659 -1.5000 -1.5000 -1.3628 -1.3628 5.2899 5.2899 5.4406 5.4406 5.5407 5.5407 6.4684 6.4684 6.5176 6.5176 6.6239 6.6239 6.7342 6.7342 k = 0.5357-0.0206 0.5541 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0717 -21.0717 -21.0595 -21.0595 -20.9205 -20.9205 -20.6978 -20.6978 -20.5995 -20.5995 -20.5834 -20.5834 -4.5320 -4.5320 -4.1554 -4.1554 -3.6985 -3.6985 -3.2158 -3.2158 -3.0662 -3.0662 -2.9101 -2.9101 -2.6849 -2.6849 -2.5020 -2.5020 -2.4248 -2.4248 -2.1146 -2.1146 -2.0647 -2.0647 -1.9831 -1.9831 -1.9466 -1.9466 -1.9182 -1.9182 -1.8913 -1.8913 -1.7866 -1.7866 -1.4845 -1.4845 -1.3735 -1.3735 5.3037 5.3037 5.4275 5.4275 5.5411 5.5411 6.4717 6.4717 6.5198 6.5198 6.6184 6.6184 6.7304 6.7304 k = 0.5268-0.0155 0.5686 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0714 -21.0714 -21.0605 -21.0605 -20.9184 -20.9184 -20.7008 -20.7008 -20.5987 -20.5987 -20.5827 -20.5827 -4.5347 -4.5347 -4.1546 -4.1546 -3.6898 -3.6898 -3.2008 -3.2008 -3.0868 -3.0868 -2.9231 -2.9231 -2.6784 -2.6784 -2.4939 -2.4939 -2.4274 -2.4274 -2.1061 -2.1061 -2.0672 -2.0672 -1.9817 -1.9817 -1.9393 -1.9393 -1.9150 -1.9150 -1.8924 -1.8924 -1.8085 -1.8085 -1.4691 -1.4691 -1.3850 -1.3850 5.3183 5.3183 5.4136 5.4136 5.5415 5.5415 6.4746 6.4746 6.5222 6.5222 6.6132 6.6132 6.7275 6.7275 k = 0.5179-0.0103 0.5832 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0709 -21.0709 -21.0615 -21.0615 -20.9168 -20.9168 -20.7030 -20.7030 -20.5981 -20.5981 -20.5821 -20.5821 -4.5368 -4.5368 -4.1540 -4.1540 -3.6832 -3.6832 -3.1846 -3.1846 -3.1070 -3.1070 -2.9327 -2.9327 -2.6736 -2.6736 -2.4882 -2.4882 -2.4294 -2.4294 -2.0976 -2.0976 -2.0694 -2.0694 -1.9845 -1.9845 -1.9318 -1.9318 -1.9116 -1.9116 -1.8885 -1.8885 -1.8308 -1.8308 -1.4541 -1.4541 -1.3974 -1.3974 5.3337 5.3337 5.3989 5.3989 5.5417 5.5417 6.4769 6.4769 6.5243 6.5243 6.6087 6.6087 6.7257 6.7257 k = 0.5089-0.0052 0.5978 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0704 -21.0704 -21.0623 -21.0623 -20.9158 -20.9158 -20.7043 -20.7043 -20.5978 -20.5978 -20.5817 -20.5817 -4.5381 -4.5381 -4.1536 -4.1536 -3.6790 -3.6790 -3.1673 -3.1673 -3.1267 -3.1267 -2.9386 -2.9386 -2.6706 -2.6706 -2.4849 -2.4849 -2.4305 -2.4305 -2.0909 -2.0909 -2.0707 -2.0707 -1.9887 -1.9887 -1.9239 -1.9239 -1.9092 -1.9092 -1.8815 -1.8815 -1.8517 -1.8517 -1.4394 -1.4394 -1.4105 -1.4105 5.3494 5.3494 5.3837 5.3837 5.5418 5.5418 6.4784 6.4784 6.5260 6.5260 6.6056 6.6056 6.7247 6.7247 k = 0.5000 0.0000 0.6124 ( 11320 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0701 -21.0701 -21.0627 -21.0627 -20.9155 -20.9155 -20.7048 -20.7048 -20.5977 -20.5977 -20.5816 -20.5816 -4.5385 -4.5385 -4.1534 -4.1534 -3.6776 -3.6776 -3.1535 -3.1535 -3.1413 -3.1413 -2.9406 -2.9406 -2.6696 -2.6696 -2.4839 -2.4839 -2.4308 -2.4308 -2.0885 -2.0885 -2.0708 -2.0708 -1.9909 -1.9909 -1.9180 -1.9180 -1.9101 -1.9101 -1.8763 -1.8763 -1.8629 -1.8629 -1.4276 -1.4276 -1.4217 -1.4217 5.3614 5.3614 5.3718 5.3718 5.5419 5.5419 6.4789 6.4789 6.5266 6.5266 6.6044 6.6044 6.7245 6.7245 k = 0.5000 0.0000 0.6124 ( 11320 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0701 -21.0701 -21.0627 -21.0627 -20.9155 -20.9155 -20.7048 -20.7048 -20.5977 -20.5977 -20.5816 -20.5816 -4.5385 -4.5385 -4.1534 -4.1534 -3.6776 -3.6776 -3.1535 -3.1535 -3.1413 -3.1413 -2.9406 -2.9406 -2.6696 -2.6696 -2.4839 -2.4839 -2.4308 -2.4308 -2.0885 -2.0885 -2.0708 -2.0708 -1.9909 -1.9909 -1.9180 -1.9180 -1.9101 -1.9101 -1.8763 -1.8763 -1.8629 -1.8629 -1.4276 -1.4276 -1.4217 -1.4217 5.3614 5.3614 5.3718 5.3718 5.5419 5.5419 6.4789 6.4789 6.5266 6.5266 6.6044 6.6044 6.7245 6.7245 k = 0.5000 0.0103 0.5978 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0698 -21.0698 -21.0625 -21.0625 -20.9155 -20.9155 -20.7049 -20.7049 -20.5979 -20.5979 -20.5819 -20.5819 -4.5373 -4.5373 -4.1529 -4.1529 -3.6774 -3.6774 -3.1531 -3.1531 -3.1409 -3.1409 -2.9408 -2.9408 -2.6717 -2.6717 -2.4848 -2.4848 -2.4318 -2.4318 -2.0911 -2.0911 -2.0722 -2.0722 -1.9862 -1.9862 -1.9247 -1.9247 -1.9138 -1.9138 -1.8704 -1.8704 -1.8577 -1.8577 -1.4277 -1.4277 -1.4218 -1.4218 5.3618 5.3618 5.3722 5.3722 5.5418 5.5418 6.4785 6.4785 6.5262 6.5262 6.6041 6.6041 6.7256 6.7256 k = 0.5000 0.0206 0.5832 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0688 -21.0688 -21.0621 -21.0621 -20.9154 -20.9154 -20.7050 -20.7050 -20.5987 -20.5987 -20.5826 -20.5826 -4.5338 -4.5338 -4.1512 -4.1512 -3.6770 -3.6770 -3.1519 -3.1519 -3.1398 -3.1398 -2.9413 -2.9413 -2.6776 -2.6776 -2.4875 -2.4875 -2.4350 -2.4350 -2.1018 -2.1018 -2.0706 -2.0706 -1.9778 -1.9778 -1.9352 -1.9352 -1.9232 -1.9232 -1.8577 -1.8577 -1.8461 -1.8461 -1.4279 -1.4279 -1.4220 -1.4220 5.3629 5.3629 5.3733 5.3733 5.5414 5.5414 6.4775 6.4775 6.5250 6.5250 6.6029 6.6029 6.7289 6.7289 k = 0.5000 0.0309 0.5686 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0672 -21.0672 -21.0613 -21.0613 -20.9153 -20.9153 -20.7054 -20.7054 -20.5999 -20.5999 -20.5838 -20.5838 -4.5278 -4.5278 -4.1485 -4.1485 -3.6764 -3.6764 -3.1501 -3.1501 -3.1378 -3.1378 -2.9421 -2.9421 -2.6871 -2.6871 -2.4923 -2.4923 -2.4401 -2.4401 -2.1185 -2.1185 -2.0641 -2.0641 -1.9799 -1.9799 -1.9416 -1.9416 -1.9269 -1.9269 -1.8430 -1.8430 -1.8319 -1.8319 -1.4283 -1.4283 -1.4223 -1.4223 5.3646 5.3646 5.3751 5.3751 5.5409 5.5409 6.4758 6.4758 6.5230 6.5230 6.6010 6.6010 6.7345 6.7345 k = 0.5000 0.0412 0.5541 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0650 -21.0650 -21.0601 -21.0601 -20.9151 -20.9151 -20.7058 -20.7058 -20.6017 -20.6017 -20.5854 -20.5854 -4.5196 -4.5196 -4.1447 -4.1447 -3.6754 -3.6754 -3.1474 -3.1474 -3.1351 -3.1351 -2.9433 -2.9433 -2.6995 -2.6995 -2.4993 -2.4993 -2.4471 -2.4471 -2.1372 -2.1372 -2.0558 -2.0558 -1.9946 -1.9946 -1.9522 -1.9522 -1.9129 -1.9129 -1.8282 -1.8282 -1.8168 -1.8168 -1.4289 -1.4289 -1.4228 -1.4228 5.3671 5.3671 5.3777 5.3777 5.5401 5.5401 6.4734 6.4734 6.5203 6.5203 6.5984 6.5984 6.7421 6.7421 k = 0.5000 0.0515 0.5395 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0621 -21.0621 -21.0587 -21.0587 -20.9149 -20.9149 -20.7064 -20.7064 -20.6039 -20.6039 -20.5874 -20.5874 -4.5090 -4.5090 -4.1400 -4.1400 -3.6741 -3.6741 -3.1441 -3.1441 -3.1316 -3.1316 -2.9449 -2.9449 -2.7143 -2.7143 -2.5087 -2.5087 -2.4560 -2.4560 -2.1565 -2.1565 -2.0492 -2.0492 -2.0131 -2.0131 -1.9615 -1.9615 -1.8928 -1.8928 -1.8135 -1.8135 -1.8013 -1.8013 -1.4297 -1.4297 -1.4233 -1.4233 5.3702 5.3702 5.3810 5.3810 5.5392 5.5392 6.4704 6.4704 6.5168 6.5168 6.5951 6.5951 6.7519 6.7519 k = 0.5000 0.0619 0.5249 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0586 -21.0586 -21.0570 -21.0570 -20.9146 -20.9146 -20.7072 -20.7072 -20.6066 -20.6066 -20.5899 -20.5899 -4.4962 -4.4962 -4.1343 -4.1343 -3.6725 -3.6725 -3.1401 -3.1401 -3.1274 -3.1274 -2.9469 -2.9469 -2.7308 -2.7308 -2.5206 -2.5206 -2.4664 -2.4664 -2.1756 -2.1756 -2.0518 -2.0518 -2.0298 -2.0298 -1.9641 -1.9641 -1.8711 -1.8711 -1.7989 -1.7989 -1.7856 -1.7856 -1.4307 -1.4307 -1.4239 -1.4239 5.3739 5.3739 5.3849 5.3849 5.5380 5.5380 6.4667 6.4667 6.5126 6.5126 6.5912 6.5912 6.7637 6.7637 k = 0.5000 0.0722 0.5103 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0552 -21.0552 -21.0544 -21.0544 -20.9143 -20.9143 -20.7082 -20.7082 -20.6097 -20.6097 -20.5927 -20.5927 -4.4813 -4.4813 -4.1278 -4.1278 -3.6706 -3.6706 -3.1354 -3.1354 -3.1225 -3.1225 -2.9494 -2.9494 -2.7485 -2.7485 -2.5349 -2.5349 -2.4783 -2.4783 -2.1943 -2.1943 -2.0684 -2.0684 -2.0425 -2.0425 -1.9568 -1.9568 -1.8491 -1.8491 -1.7846 -1.7846 -1.7699 -1.7699 -1.4319 -1.4319 -1.4245 -1.4245 5.3782 5.3782 5.3895 5.3895 5.5367 5.5367 6.4624 6.4624 6.5078 6.5078 6.5867 6.5867 6.7773 6.7773 k = 0.5000 0.0825 0.4957 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4357 -29.4357 -21.0529 -21.0529 -21.0498 -21.0498 -20.9139 -20.9139 -20.7094 -20.7094 -20.6133 -20.6133 -20.5957 -20.5957 -4.4641 -4.4641 -4.1205 -4.1205 -3.6682 -3.6682 -3.1301 -3.1301 -3.1168 -3.1168 -2.9524 -2.9524 -2.7669 -2.7669 -2.5516 -2.5516 -2.4916 -2.4916 -2.2124 -2.2124 -2.0909 -2.0909 -2.0570 -2.0570 -1.9416 -1.9416 -1.8275 -1.8275 -1.7705 -1.7705 -1.7541 -1.7541 -1.4334 -1.4334 -1.4252 -1.4252 5.3831 5.3831 5.3947 5.3947 5.5352 5.5352 6.4574 6.4574 6.5024 6.5024 6.5815 6.5815 6.7927 6.7927 k = 0.5000 0.0928 0.4811 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0505 -21.0505 -21.0445 -21.0445 -20.9134 -20.9134 -20.7109 -20.7109 -20.6173 -20.6173 -20.5991 -20.5991 -4.4450 -4.4450 -4.1125 -4.1125 -3.6654 -3.6654 -3.1242 -3.1242 -3.1104 -3.1104 -2.9560 -2.9560 -2.7855 -2.7855 -2.5703 -2.5703 -2.5062 -2.5062 -2.2300 -2.2300 -2.1152 -2.1152 -2.0743 -2.0743 -1.9218 -1.9218 -1.8066 -1.8066 -1.7566 -1.7566 -1.7381 -1.7381 -1.4352 -1.4352 -1.4259 -1.4259 5.3885 5.3885 5.4005 5.4005 5.5336 5.5336 6.4519 6.4519 6.4964 6.4964 6.5759 6.5759 6.8097 6.8097 k = 0.5000 0.1031 0.4666 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4358 -29.4358 -21.0478 -21.0478 -21.0387 -21.0387 -20.9129 -20.9129 -20.7126 -20.7126 -20.6215 -20.6215 -20.6027 -20.6027 -4.4239 -4.4239 -4.1040 -4.1040 -3.6621 -3.6621 -3.1178 -3.1178 -3.1034 -3.1034 -2.9603 -2.9603 -2.8040 -2.8040 -2.5909 -2.5909 -2.5218 -2.5218 -2.2470 -2.2470 -2.1401 -2.1401 -2.0934 -2.0934 -1.8998 -1.8998 -1.7868 -1.7868 -1.7428 -1.7428 -1.7221 -1.7221 -1.4372 -1.4372 -1.4265 -1.4265 5.3943 5.3943 5.4067 5.4067 5.5319 5.5319 6.4458 6.4458 6.4900 6.4900 6.5699 6.5699 6.8281 6.8281 k = 0.5000 0.1134 0.4520 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4361 -29.4361 -29.4358 -29.4358 -21.0450 -21.0450 -21.0324 -21.0324 -20.9124 -20.9124 -20.7148 -20.7148 -20.6261 -20.6261 -20.6064 -20.6064 -4.4009 -4.4009 -4.0951 -4.0951 -3.6584 -3.6584 -3.1110 -3.1110 -3.0957 -3.0957 -2.9655 -2.9655 -2.8220 -2.8220 -2.6129 -2.6129 -2.5386 -2.5386 -2.2635 -2.2635 -2.1653 -2.1653 -2.1135 -2.1135 -1.8765 -1.8765 -1.7681 -1.7681 -1.7292 -1.7292 -1.7058 -1.7058 -1.4394 -1.4394 -1.4272 -1.4272 5.4005 5.4005 5.4134 5.4134 5.5301 5.5301 6.4392 6.4392 6.4832 6.4832 6.5635 6.5635 6.8477 6.8477 k = 0.5000 0.1237 0.4374 ( 11256 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0421 -21.0421 -21.0255 -21.0255 -20.9117 -20.9117 -20.7173 -20.7173 -20.6308 -20.6308 -20.6103 -20.6103 -4.3763 -4.3763 -4.0859 -4.0859 -3.6541 -3.6541 -3.1038 -3.1038 -3.0873 -3.0873 -2.9717 -2.9717 -2.8393 -2.8393 -2.6359 -2.6359 -2.5564 -2.5564 -2.2799 -2.2799 -2.1901 -2.1901 -2.1343 -2.1343 -1.8528 -1.8528 -1.7509 -1.7509 -1.7159 -1.7159 -1.6894 -1.6894 -1.4420 -1.4420 -1.4278 -1.4278 5.4070 5.4070 5.4205 5.4205 5.5283 5.5283 6.4321 6.4321 6.4762 6.4762 6.5568 6.5568 6.8683 6.8683 k = 0.5000 0.1340 0.4228 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0391 -21.0391 -21.0182 -21.0182 -20.9110 -20.9110 -20.7204 -20.7204 -20.6356 -20.6356 -20.6143 -20.6143 -4.3501 -4.3501 -4.0765 -4.0765 -3.6493 -3.6493 -3.0962 -3.0962 -3.0785 -3.0785 -2.9791 -2.9791 -2.8556 -2.8556 -2.6596 -2.6596 -2.5752 -2.5752 -2.2963 -2.2963 -2.2143 -2.2143 -2.1555 -2.1555 -1.8291 -1.8291 -1.7350 -1.7350 -1.7027 -1.7027 -1.6730 -1.6730 -1.4447 -1.4447 -1.4284 -1.4284 5.4137 5.4137 5.4278 5.4278 5.5265 5.5265 6.4246 6.4246 6.4689 6.4689 6.5499 6.5499 6.8898 6.8898 k = 0.5000 0.1443 0.4082 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0360 -21.0360 -21.0104 -21.0104 -20.9103 -20.9103 -20.7240 -20.7240 -20.6404 -20.6404 -20.6183 -20.6183 -4.3225 -4.3225 -4.0672 -4.0672 -3.6440 -3.6440 -3.0884 -3.0884 -3.0691 -3.0691 -2.9878 -2.9878 -2.8707 -2.8707 -2.6834 -2.6834 -2.5948 -2.5948 -2.3130 -2.3130 -2.2372 -2.2372 -2.1767 -2.1767 -1.8058 -1.8058 -1.7204 -1.7204 -1.6896 -1.6896 -1.6567 -1.6567 -1.4478 -1.4478 -1.4290 -1.4290 5.4206 5.4206 5.4354 5.4354 5.5247 5.5247 6.4167 6.4167 6.4616 6.4616 6.5429 6.5429 6.9117 6.9117 k = 0.5000 0.1546 0.3937 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0329 -21.0329 -21.0022 -21.0022 -20.9094 -20.9094 -20.7283 -20.7283 -20.6450 -20.6450 -20.6224 -20.6224 -4.2937 -4.2937 -4.0579 -4.0579 -3.6382 -3.6382 -3.0804 -3.0804 -3.0594 -3.0594 -2.9981 -2.9981 -2.8844 -2.8844 -2.7068 -2.7068 -2.6151 -2.6151 -2.3304 -2.3304 -2.2583 -2.2583 -2.1978 -2.1978 -1.7833 -1.7833 -1.7071 -1.7071 -1.6768 -1.6768 -1.6408 -1.6408 -1.4511 -1.4511 -1.4294 -1.4294 5.4275 5.4275 5.4431 5.4431 5.5230 5.5230 6.4086 6.4086 6.4543 6.4543 6.5359 6.5359 6.9340 6.9340 k = 0.5000 0.1650 0.3791 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0298 -21.0298 -20.9936 -20.9936 -20.9085 -20.9085 -20.7332 -20.7332 -20.6495 -20.6495 -20.6264 -20.6264 -4.2639 -4.2639 -4.0489 -4.0489 -3.6320 -3.6320 -3.0723 -3.0723 -3.0498 -3.0498 -3.0097 -3.0097 -2.8966 -2.8966 -2.7294 -2.7294 -2.6361 -2.6361 -2.3487 -2.3487 -2.2772 -2.2772 -2.2186 -2.2186 -1.7618 -1.7618 -1.6949 -1.6949 -1.6640 -1.6640 -1.6255 -1.6255 -1.4547 -1.4547 -1.4298 -1.4298 5.4344 5.4344 5.4508 5.4508 5.5214 5.5214 6.4004 6.4004 6.4471 6.4471 6.5289 6.5289 6.9563 6.9563 k = 0.5000 0.1753 0.3645 ( 11272 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0267 -21.0267 -20.9847 -20.9847 -20.9076 -20.9076 -20.7388 -20.7388 -20.6536 -20.6536 -20.6303 -20.6303 -4.2335 -4.2335 -4.0403 -4.0403 -3.6254 -3.6254 -3.0642 -3.0642 -3.0422 -3.0422 -3.0208 -3.0208 -2.9072 -2.9072 -2.7507 -2.7507 -2.6576 -2.6576 -2.3679 -2.3679 -2.2936 -2.2936 -2.2388 -2.2388 -1.7417 -1.7417 -1.6836 -1.6836 -1.6515 -1.6515 -1.6110 -1.6110 -1.4586 -1.4586 -1.4301 -1.4301 5.4412 5.4412 5.4583 5.4583 5.5201 5.5201 6.3920 6.3920 6.4400 6.4400 6.5220 6.5220 6.9784 6.9784 k = 0.5000 0.1856 0.3499 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0238 -21.0238 -20.9755 -20.9755 -20.9066 -20.9066 -20.7451 -20.7451 -20.6574 -20.6574 -20.6340 -20.6340 -4.2027 -4.2027 -4.0322 -4.0322 -3.6185 -3.6185 -3.0570 -3.0570 -3.0462 -3.0462 -3.0212 -3.0212 -2.9162 -2.9162 -2.7702 -2.7702 -2.6795 -2.6795 -2.3876 -2.3876 -2.3078 -2.3078 -2.2583 -2.2583 -1.7231 -1.7231 -1.6733 -1.6733 -1.6391 -1.6391 -1.5975 -1.5975 -1.4628 -1.4628 -1.4302 -1.4302 5.4477 5.4477 5.4656 5.4656 5.5190 5.5190 6.3837 6.3837 6.4333 6.4333 6.5154 6.5154 6.9999 6.9999 k = 0.5000 0.1959 0.3353 ( 11284 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4359 -29.4359 -21.0210 -21.0210 -20.9661 -20.9661 -20.9056 -20.9056 -20.7520 -20.7520 -20.6609 -20.6609 -20.6375 -20.6375 -4.1719 -4.1719 -4.0246 -4.0246 -3.6114 -3.6114 -3.0652 -3.0652 -3.0458 -3.0458 -3.0123 -3.0123 -2.9234 -2.9234 -2.7879 -2.7879 -2.7016 -2.7016 -2.4075 -2.4075 -2.3198 -2.3198 -2.2767 -2.2767 -1.7063 -1.7063 -1.6637 -1.6637 -1.6268 -1.6268 -1.5851 -1.5851 -1.4672 -1.4672 -1.4302 -1.4302 5.4538 5.4538 5.4724 5.4724 5.5183 5.5183 6.3756 6.3756 6.4269 6.4269 6.5091 6.5091 7.0205 7.0205 k = 0.5000 0.2062 0.3208 ( 11282 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4360 -29.4360 -21.0184 -21.0184 -20.9565 -20.9565 -20.9045 -20.9045 -20.7594 -20.7594 -20.6640 -20.6640 -20.6407 -20.6407 -4.1415 -4.1415 -4.0178 -4.0178 -3.6044 -3.6044 -3.0843 -3.0843 -3.0377 -3.0377 -3.0017 -3.0017 -2.9289 -2.9289 -2.8037 -2.8037 -2.7236 -2.7236 -2.4269 -2.4269 -2.3300 -2.3300 -2.2939 -2.2939 -1.6914 -1.6914 -1.6549 -1.6549 -1.6146 -1.6146 -1.5740 -1.5740 -1.4720 -1.4720 -1.4300 -1.4300 5.4595 5.4595 5.4786 5.4786 5.5181 5.5181 6.3679 6.3679 6.4209 6.4209 6.5032 6.5032 7.0400 7.0400 k = 0.5000 0.2165 0.3062 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0160 -21.0160 -20.9470 -20.9470 -20.9035 -20.9035 -20.7673 -20.7673 -20.6668 -20.6668 -20.6437 -20.6437 -4.1121 -4.1121 -4.0116 -4.0116 -3.5975 -3.5975 -3.1051 -3.1051 -3.0291 -3.0291 -2.9910 -2.9910 -2.9328 -2.9328 -2.8176 -2.8176 -2.7452 -2.7452 -2.4453 -2.4453 -2.3388 -2.3388 -2.3097 -2.3097 -1.6786 -1.6786 -1.6468 -1.6468 -1.6028 -1.6028 -1.5642 -1.5642 -1.4770 -1.4770 -1.4297 -1.4297 5.4645 5.4645 5.4842 5.4842 5.5184 5.5184 6.3606 6.3606 6.4155 6.4155 6.4978 6.4978 7.0580 7.0580 k = 0.5000 0.2268 0.2916 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0139 -21.0139 -20.9375 -20.9375 -20.9025 -20.9025 -20.7754 -20.7754 -20.6692 -20.6692 -20.6462 -20.6462 -4.0842 -4.0842 -4.0062 -4.0062 -3.5910 -3.5910 -3.1264 -3.1264 -3.0201 -3.0201 -2.9806 -2.9806 -2.9351 -2.9351 -2.8300 -2.8300 -2.7660 -2.7660 -2.4622 -2.4622 -2.3461 -2.3461 -2.3239 -2.3239 -1.6679 -1.6679 -1.6394 -1.6394 -1.5913 -1.5913 -1.5557 -1.5557 -1.4824 -1.4824 -1.4292 -1.4292 5.4689 5.4689 5.4888 5.4888 5.5192 5.5192 6.3539 6.3539 6.4106 6.4106 6.4929 6.4929 7.0742 7.0742 k = 0.5000 0.2371 0.2770 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0120 -21.0120 -20.9284 -20.9284 -20.9016 -20.9016 -20.7836 -20.7836 -20.6713 -20.6713 -20.6484 -20.6484 -4.0586 -4.0586 -4.0016 -4.0016 -3.5851 -3.5851 -3.1470 -3.1470 -3.0110 -3.0110 -2.9709 -2.9709 -2.9361 -2.9361 -2.8413 -2.8413 -2.7856 -2.7856 -2.4774 -2.4774 -2.3522 -2.3522 -2.3363 -2.3363 -1.6591 -1.6591 -1.6328 -1.6328 -1.5804 -1.5804 -1.5485 -1.5485 -1.4880 -1.4880 -1.4286 -1.4286 5.4724 5.4724 5.4926 5.4926 5.5206 5.5206 6.3480 6.3480 6.4063 6.4063 6.4887 6.4887 7.0883 7.0883 k = 0.5000 0.2474 0.2624 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0105 -21.0105 -20.9198 -20.9198 -20.9006 -20.9006 -20.7914 -20.7914 -20.6731 -20.6731 -20.6501 -20.6501 -4.0360 -4.0360 -3.9979 -3.9979 -3.5800 -3.5800 -3.1659 -3.1659 -3.0017 -3.0017 -2.9623 -2.9623 -2.9358 -2.9358 -2.8517 -2.8517 -2.8031 -2.8031 -2.4904 -2.4904 -2.3571 -2.3571 -2.3466 -2.3466 -1.6523 -1.6523 -1.6271 -1.6271 -1.5702 -1.5702 -1.5424 -1.5424 -1.4940 -1.4940 -1.4280 -1.4280 5.4752 5.4752 5.4955 5.4955 5.5223 5.5223 6.3429 6.3429 6.4028 6.4028 6.4851 6.4851 7.0999 7.0999 k = 0.5000 0.2577 0.2479 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0092 -21.0092 -20.9123 -20.9123 -20.8997 -20.8997 -20.7986 -20.7986 -20.6745 -20.6745 -20.6515 -20.6515 -4.0173 -4.0173 -3.9949 -3.9949 -3.5758 -3.5758 -3.1821 -3.1821 -2.9928 -2.9928 -2.9556 -2.9556 -2.9342 -2.9342 -2.8616 -2.8616 -2.8178 -2.8178 -2.5009 -2.5009 -2.3610 -2.3610 -2.3549 -2.3549 -1.6472 -1.6472 -1.6224 -1.6224 -1.5613 -1.5613 -1.5371 -1.5371 -1.5002 -1.5002 -1.4274 -1.4274 5.4772 5.4772 5.4977 5.4977 5.5240 5.5240 6.3389 6.3389 6.4000 6.4000 6.4823 6.4823 7.1088 7.1088 k = 0.5000 0.2681 0.2333 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0083 -21.0083 -20.9067 -20.9067 -20.8985 -20.8985 -20.8045 -20.8045 -20.6756 -20.6756 -20.6525 -20.6525 -4.0032 -4.0032 -3.9928 -3.9928 -3.5727 -3.5727 -3.1945 -3.1945 -2.9849 -2.9849 -2.9509 -2.9509 -2.9317 -2.9317 -2.8707 -2.8707 -2.8288 -2.8288 -2.5086 -2.5086 -2.3637 -2.3637 -2.3608 -2.3608 -1.6436 -1.6436 -1.6190 -1.6190 -1.5541 -1.5541 -1.5322 -1.5322 -1.5066 -1.5066 -1.4270 -1.4270 5.4785 5.4785 5.4992 5.4992 5.5254 5.5254 6.3359 6.3359 6.3979 6.3979 6.4803 6.4803 7.1148 7.1148 k = 0.5000 0.2784 0.2187 ( 11280 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0078 -21.0078 -20.9036 -20.9036 -20.8971 -20.8971 -20.8085 -20.8085 -20.6762 -20.6762 -20.6530 -20.6530 -3.9947 -3.9947 -3.9912 -3.9912 -3.5708 -3.5708 -3.2024 -3.2024 -2.9793 -2.9793 -2.9481 -2.9481 -2.9294 -2.9294 -2.8776 -2.8776 -2.8354 -2.8354 -2.5133 -2.5133 -2.3655 -2.3655 -2.3642 -2.3642 -1.6415 -1.6415 -1.6169 -1.6169 -1.5494 -1.5494 -1.5272 -1.5272 -1.5128 -1.5128 -1.4266 -1.4266 5.4793 5.4793 5.5002 5.5002 5.5264 5.5264 6.3341 6.3341 6.3967 6.3967 6.4791 6.4791 7.1182 7.1182 k = 0.5000 0.2887 0.2041 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0076 -21.0076 -20.9027 -20.9027 -20.8963 -20.8963 -20.8100 -20.8100 -20.6764 -20.6764 -20.6532 -20.6532 -3.9924 -3.9924 -3.9900 -3.9900 -3.5702 -3.5702 -3.2050 -3.2050 -2.9772 -2.9772 -2.9472 -2.9472 -2.9284 -2.9284 -2.8802 -2.8802 -2.8377 -2.8377 -2.5149 -2.5149 -2.3663 -2.3663 -2.3652 -2.3652 -1.6408 -1.6408 -1.6162 -1.6162 -1.5478 -1.5478 -1.5236 -1.5236 -1.5168 -1.5168 -1.4265 -1.4265 5.4795 5.4795 5.5005 5.5005 5.5267 5.5267 6.3335 6.3335 6.3963 6.3963 6.4786 6.4786 7.1193 7.1193 k = 0.5000 0.2887 0.2041 ( 11276 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0076 -21.0076 -20.9027 -20.9027 -20.8963 -20.8963 -20.8100 -20.8100 -20.6764 -20.6764 -20.6532 -20.6532 -3.9924 -3.9924 -3.9900 -3.9900 -3.5702 -3.5702 -3.2050 -3.2050 -2.9772 -2.9772 -2.9472 -2.9472 -2.9284 -2.9284 -2.8802 -2.8802 -2.8377 -2.8377 -2.5149 -2.5149 -2.3663 -2.3663 -2.3652 -2.3652 -1.6408 -1.6408 -1.6162 -1.6162 -1.5478 -1.5478 -1.5236 -1.5236 -1.5168 -1.5168 -1.4265 -1.4265 5.4795 5.4795 5.5005 5.5005 5.5267 5.5267 6.3335 6.3335 6.3963 6.3963 6.4786 6.4786 7.1193 7.1193 k = 0.4948 0.2857 0.2211 ( 11280 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0078 -21.0078 -20.9036 -20.9036 -20.8971 -20.8971 -20.8085 -20.8085 -20.6762 -20.6762 -20.6530 -20.6530 -3.9947 -3.9947 -3.9912 -3.9912 -3.5708 -3.5708 -3.2023 -3.2023 -2.9793 -2.9793 -2.9481 -2.9481 -2.9294 -2.9294 -2.8775 -2.8775 -2.8354 -2.8354 -2.5133 -2.5133 -2.3655 -2.3655 -2.3642 -2.3642 -1.6415 -1.6415 -1.6169 -1.6169 -1.5495 -1.5495 -1.5272 -1.5272 -1.5127 -1.5127 -1.4266 -1.4266 5.4792 5.4792 5.5002 5.5002 5.5264 5.5264 6.3341 6.3341 6.3967 6.3967 6.4791 6.4791 7.1182 7.1182 k = 0.4896 0.2827 0.2381 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0084 -21.0084 -20.9068 -20.9068 -20.8985 -20.8985 -20.8044 -20.8044 -20.6756 -20.6756 -20.6524 -20.6524 -4.0034 -4.0034 -3.9928 -3.9928 -3.5728 -3.5728 -3.1943 -3.1943 -2.9851 -2.9851 -2.9509 -2.9509 -2.9318 -2.9318 -2.8705 -2.8705 -2.8286 -2.8286 -2.5085 -2.5085 -2.3637 -2.3637 -2.3607 -2.3607 -1.6437 -1.6437 -1.6191 -1.6191 -1.5542 -1.5542 -1.5323 -1.5323 -1.5064 -1.5064 -1.4270 -1.4270 5.4785 5.4785 5.4992 5.4992 5.5254 5.5254 6.3360 6.3360 6.3979 6.3979 6.4803 6.4803 7.1147 7.1148 k = 0.4844 0.2797 0.2552 ( 11293 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0093 -21.0093 -20.9125 -20.9125 -20.8997 -20.8997 -20.7984 -20.7984 -20.6745 -20.6745 -20.6515 -20.6515 -4.0178 -4.0178 -3.9950 -3.9950 -3.5759 -3.5759 -3.1817 -3.1817 -2.9930 -2.9930 -2.9555 -2.9555 -2.9347 -2.9347 -2.8611 -2.8611 -2.8175 -2.8175 -2.5006 -2.5006 -2.3609 -2.3609 -2.3546 -2.3546 -1.6473 -1.6473 -1.6226 -1.6226 -1.5616 -1.5616 -1.5372 -1.5372 -1.5001 -1.5001 -1.4274 -1.4274 5.4771 5.4771 5.4977 5.4977 5.5239 5.5239 6.3390 6.3390 6.4000 6.4000 6.4824 6.4824 7.1085 7.1085 k = 0.4792 0.2766 0.2722 ( 11286 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0105 -21.0105 -20.9201 -20.9201 -20.9007 -20.9007 -20.7911 -20.7911 -20.6731 -20.6731 -20.6501 -20.6501 -4.0369 -4.0369 -3.9979 -3.9979 -3.5803 -3.5803 -3.1652 -3.1652 -3.0019 -3.0019 -2.9620 -2.9620 -2.9369 -2.9369 -2.8508 -2.8508 -2.8028 -2.8028 -2.4898 -2.4898 -2.3570 -2.3570 -2.3462 -2.3462 -1.6525 -1.6525 -1.6273 -1.6273 -1.5707 -1.5707 -1.5423 -1.5423 -1.4940 -1.4940 -1.4279 -1.4279 5.4749 5.4749 5.4957 5.4957 5.5221 5.5221 6.3431 6.3431 6.4029 6.4029 6.4853 6.4853 7.0995 7.0995 k = 0.4740 0.2736 0.2892 ( 11288 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0121 -21.0121 -20.9287 -20.9287 -20.9018 -20.9018 -20.7831 -20.7831 -20.6713 -20.6713 -20.6482 -20.6482 -4.0600 -4.0600 -4.0017 -4.0017 -3.5857 -3.5857 -3.1460 -3.1460 -3.0109 -3.0109 -2.9700 -2.9700 -2.9381 -2.9381 -2.8399 -2.8399 -2.7853 -2.7853 -2.4765 -2.4765 -2.3520 -2.3520 -2.3356 -2.3356 -1.6595 -1.6595 -1.6334 -1.6334 -1.5809 -1.5809 -1.5481 -1.5481 -1.4886 -1.4886 -1.4283 -1.4283 5.4716 5.4716 5.4934 5.4934 5.5202 5.5202 6.3483 6.3483 6.4066 6.4066 6.4889 6.4889 7.0877 7.0877 k = 0.4688 0.2706 0.3062 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0140 -21.0140 -20.9378 -20.9378 -20.9029 -20.9029 -20.7747 -20.7747 -20.6692 -20.6692 -20.6460 -20.6460 -4.0860 -4.0860 -4.0062 -4.0062 -3.5921 -3.5921 -3.1252 -3.1252 -3.0192 -3.0192 -2.9789 -2.9789 -2.9381 -2.9381 -2.8285 -2.8285 -2.7659 -2.7659 -2.4608 -2.4608 -2.3459 -2.3459 -2.3230 -2.3230 -1.6682 -1.6682 -1.6407 -1.6407 -1.5917 -1.5917 -1.5546 -1.5546 -1.4842 -1.4842 -1.4282 -1.4282 5.4669 5.4669 5.4911 5.4911 5.5183 5.5183 6.3543 6.3543 6.4109 6.4109 6.4932 6.4932 7.0735 7.0735 k = 0.4635 0.2676 0.3232 ( 11284 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4363 -29.4363 -29.4360 -29.4360 -21.0162 -21.0162 -20.9472 -20.9472 -20.9042 -20.9042 -20.7663 -20.7663 -20.6669 -20.6669 -20.6433 -20.6433 -4.1143 -4.1143 -4.0114 -4.0114 -3.5994 -3.5994 -3.1049 -3.1049 -3.0261 -3.0261 -2.9876 -2.9876 -2.9370 -2.9370 -2.8168 -2.8168 -2.7451 -2.7451 -2.4430 -2.4430 -2.3387 -2.3387 -2.3086 -2.3086 -1.6789 -1.6789 -1.6496 -1.6496 -1.6026 -1.6026 -1.5621 -1.5621 -1.4812 -1.4812 -1.4273 -1.4273 5.4606 5.4606 5.4891 5.4891 5.5166 5.5166 6.3610 6.3610 6.4159 6.4159 6.4982 6.4982 7.0572 7.0572 k = 0.4583 0.2646 0.3402 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4360 -29.4360 -21.0187 -21.0187 -20.9567 -20.9567 -20.9057 -20.9057 -20.7580 -20.7580 -20.6645 -20.6645 -20.6402 -20.6402 -4.1441 -4.1441 -4.0173 -4.0173 -3.6077 -3.6077 -3.0883 -3.0883 -3.0296 -3.0296 -2.9947 -2.9947 -2.9347 -2.9347 -2.8047 -2.8047 -2.7234 -2.7234 -2.4233 -2.4233 -2.3302 -2.3302 -2.2926 -2.2926 -1.6913 -1.6913 -1.6606 -1.6606 -1.6128 -1.6128 -1.5705 -1.5705 -1.4799 -1.4799 -1.4252 -1.4252 5.4527 5.4527 5.4875 5.4875 5.5151 5.5151 6.3683 6.3683 6.4214 6.4214 6.5038 6.5038 7.0392 7.0392 k = 0.4531 0.2616 0.3572 ( 11277 PWs) bands (ev): -53.3381 -53.3381 -30.0829 -30.0829 -29.4362 -29.4362 -29.4359 -29.4359 -21.0214 -21.0214 -20.9660 -20.9660 -20.9073 -20.9073 -20.7498 -20.7498 -20.6619 -20.6619 -20.6366 -20.6366 -4.1747 -4.1747 -4.0239 -4.0239 -3.6167 -3.6167 -3.0813 -3.0813 -3.0262 -3.0262 -2.9980 -2.9980 -2.9312 -2.9312 -2.7924 -2.7924 -2.7011 -2.7011 -2.4021 -2.4021 -2.3206 -2.3206 -2.2752 -2.2752 -1.7056 -1.7056 -1.6739 -1.6739 -1.6219 -1.6219 -1.5797 -1.5797 -1.4805 -1.4805 -1.4217 -1.4217 5.4433 5.4433 5.4863 5.4863 5.5138 5.5138 6.3760 6.3760 6.4275 6.4275 6.5100 6.5100 7.0200 7.0200 k = 0.4479 0.2586 0.3742 ( 11285 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0242 -21.0242 -20.9751 -20.9751 -20.9090 -20.9090 -20.7420 -20.7420 -20.6592 -20.6592 -20.6327 -20.6327 -4.2056 -4.2056 -4.0311 -4.0311 -3.6264 -3.6264 -3.0855 -3.0855 -3.0198 -3.0198 -2.9924 -2.9924 -2.9266 -2.9266 -2.7799 -2.7799 -2.6785 -2.6785 -2.3795 -2.3795 -2.3098 -2.3098 -2.2566 -2.2566 -1.7216 -1.7216 -1.6896 -1.6896 -1.6299 -1.6299 -1.5898 -1.5898 -1.4830 -1.4830 -1.4170 -1.4170 5.4327 5.4327 5.4855 5.4855 5.5128 5.5128 6.3839 6.3839 6.4340 6.4340 6.5167 6.5167 6.9998 6.9998 k = 0.4427 0.2556 0.3912 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0273 -21.0273 -20.9840 -20.9840 -20.9108 -20.9108 -20.7344 -20.7344 -20.6565 -20.6565 -20.6285 -20.6285 -4.2363 -4.2363 -4.0388 -4.0388 -3.6368 -3.6368 -3.0958 -3.0958 -3.0170 -3.0170 -2.9762 -2.9762 -2.9207 -2.9207 -2.7675 -2.7675 -2.6557 -2.6557 -2.3560 -2.3560 -2.2977 -2.2977 -2.2371 -2.2371 -1.7391 -1.7391 -1.7074 -1.7074 -1.6369 -1.6369 -1.6005 -1.6005 -1.4871 -1.4871 -1.4113 -1.4113 5.4210 5.4210 5.4850 5.4850 5.5120 5.5120 6.3918 6.3918 6.4409 6.4409 6.5238 6.5238 6.9791 6.9791 k = 0.4375 0.2526 0.4082 ( 11274 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4362 -29.4362 -29.4359 -29.4359 -21.0305 -21.0305 -20.9925 -20.9925 -20.9128 -20.9128 -20.7272 -20.7272 -20.6537 -20.6537 -20.6242 -20.6242 -4.2665 -4.2665 -4.0470 -4.0470 -3.6477 -3.6477 -3.1090 -3.1090 -3.0150 -3.0150 -2.9557 -2.9557 -2.9136 -2.9136 -2.7551 -2.7551 -2.6329 -2.6329 -2.3318 -2.3318 -2.2843 -2.2843 -2.2169 -2.2169 -1.7581 -1.7581 -1.7271 -1.7271 -1.6432 -1.6432 -1.6119 -1.6119 -1.4925 -1.4925 -1.4049 -1.4049 5.4084 5.4084 5.4849 5.4849 5.5116 5.5116 6.3996 6.3996 6.4481 6.4481 6.5314 6.5314 6.9582 6.9582 k = 0.4323 0.2496 0.4253 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0337 -21.0337 -21.0006 -21.0006 -20.9148 -20.9148 -20.7202 -20.7202 -20.6509 -20.6509 -20.6197 -20.6197 -4.2957 -4.2957 -4.0556 -4.0556 -3.6590 -3.6590 -3.1236 -3.1236 -3.0119 -3.0119 -2.9345 -2.9345 -2.9052 -2.9052 -2.7428 -2.7428 -2.6100 -2.6100 -2.3075 -2.3075 -2.2694 -2.2694 -2.1962 -2.1962 -1.7785 -1.7785 -1.7483 -1.7483 -1.6492 -1.6492 -1.6235 -1.6235 -1.4990 -1.4990 -1.3979 -1.3979 5.3951 5.3951 5.4851 5.4851 5.5115 5.5115 6.4071 6.4071 6.4553 6.4553 6.5395 6.5395 6.9375 6.9375 k = 0.4271 0.2466 0.4423 ( 11257 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0370 -21.0370 -21.0084 -21.0084 -20.9170 -20.9170 -20.7136 -20.7136 -20.6480 -20.6480 -20.6152 -20.6152 -4.3237 -4.3237 -4.0646 -4.0646 -3.6706 -3.6706 -3.1390 -3.1390 -3.0074 -3.0074 -2.9139 -2.9139 -2.8951 -2.8951 -2.7309 -2.7309 -2.5873 -2.5873 -2.2833 -2.2833 -2.2531 -2.2531 -2.1752 -2.1752 -1.8001 -1.8001 -1.7708 -1.7708 -1.6554 -1.6554 -1.6349 -1.6349 -1.5064 -1.5064 -1.3907 -1.3907 5.3810 5.3810 5.4856 5.4856 5.5117 5.5117 6.4142 6.4142 6.4626 6.4626 6.5480 6.5480 6.9174 6.9174 k = 0.4219 0.2436 0.4593 ( 11253 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4359 -29.4359 -21.0401 -21.0401 -21.0158 -21.0158 -20.9192 -20.9192 -20.7073 -20.7073 -20.6452 -20.6452 -20.6108 -20.6108 -4.3503 -4.3503 -4.0740 -4.0740 -3.6824 -3.6824 -3.1547 -3.1547 -3.0014 -3.0014 -2.8957 -2.8957 -2.8824 -2.8824 -2.7192 -2.7192 -2.5649 -2.5649 -2.2599 -2.2599 -2.2352 -2.2352 -2.1539 -2.1539 -1.8228 -1.8228 -1.7944 -1.7944 -1.6630 -1.6630 -1.6450 -1.6450 -1.5144 -1.5144 -1.3832 -1.3832 5.3665 5.3665 5.4865 5.4865 5.5123 5.5123 6.4207 6.4207 6.4697 6.4697 6.5569 6.5569 6.8982 6.8982 k = 0.4167 0.2406 0.4763 ( 11254 PWs) bands (ev): -53.3381 -53.3381 -30.0828 -30.0828 -29.4361 -29.4361 -29.4358 -29.4358 -21.0432 -21.0432 -21.0228 -21.0228 -20.9215 -20.9215 -20.7012 -20.7012 -20.6422 -20.6422 -20.6066 -20.6066 -4.3753 -4.3753 -4.0836 -4.0836 -3.6944 -3.6944 -3.1706 -3.1706 -2.9940 -2.9940 -2.8810 -2.8810 -2.8659 -2.8659 -2.7079 -2.7079 -2.5430 -2.5430 -2.2375 -2.2375 -2.2157 -2.2157 -2.1327 -2.1327 -1.8465 -1.8465 -1.8188 -1.8188 -1.6732 -1.6732 -1.6524 -1.6524 -1.5232 -1.5232 -1.3755 -1.3755 5.3515 5.3515 5.4877 5.4877 5.5132 5.5132 6.4265 6.4265 6.4765 6.4765 6.5662 6.5662 6.8803 6.8803 k = 0.4115 0.2376 0.4933 ( 11248 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0461 -21.0461 -21.0295 -21.0295 -20.9238 -20.9238 -20.6954 -20.6954 -20.6393 -20.6393 -20.6028 -20.6028 -4.3984 -4.3984 -4.0934 -4.0934 -3.7063 -3.7063 -3.1865 -3.1865 -2.9853 -2.9853 -2.8681 -2.8681 -2.8478 -2.8478 -2.6971 -2.6971 -2.5216 -2.5216 -2.2159 -2.2159 -2.1951 -2.1951 -2.1115 -2.1115 -1.8709 -1.8709 -1.8438 -1.8438 -1.6857 -1.6857 -1.6575 -1.6575 -1.5324 -1.5324 -1.3678 -1.3678 5.3362 5.3362 5.4893 5.4893 5.5144 5.5144 6.4317 6.4317 6.4829 6.4829 6.5760 6.5760 6.8638 6.8638 k = 0.4062 0.2345 0.5103 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0486 -21.0486 -21.0359 -21.0359 -20.9262 -20.9262 -20.6898 -20.6898 -20.6363 -20.6363 -20.5992 -20.5992 -4.4197 -4.4197 -4.1034 -4.1034 -3.7180 -3.7180 -3.2021 -3.2021 -2.9755 -2.9755 -2.8555 -2.8555 -2.8297 -2.8297 -2.6866 -2.6866 -2.5010 -2.5010 -2.1950 -2.1950 -2.1743 -2.1743 -2.0906 -2.0906 -1.8957 -1.8957 -1.8691 -1.8691 -1.6995 -1.6995 -1.6613 -1.6613 -1.5421 -1.5421 -1.3601 -1.3601 5.3207 5.3207 5.4912 5.4912 5.5160 5.5160 6.4363 6.4363 6.4886 6.4886 6.5862 6.5862 6.8492 6.8492 k = 0.4010 0.2315 0.5273 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0509 -21.0509 -21.0419 -21.0419 -20.9286 -20.9286 -20.6845 -20.6845 -20.6333 -20.6333 -20.5961 -20.5961 -4.4389 -4.4389 -4.1135 -4.1135 -3.7296 -3.7296 -3.2176 -3.2176 -2.9646 -2.9646 -2.8427 -2.8427 -2.8120 -2.8120 -2.6766 -2.6766 -2.4816 -2.4816 -2.1742 -2.1742 -2.1541 -2.1541 -2.0701 -2.0701 -1.9208 -1.9208 -1.8943 -1.8943 -1.7138 -1.7138 -1.6642 -1.6642 -1.5521 -1.5521 -1.3524 -1.3524 5.3049 5.3049 5.4935 5.4935 5.5179 5.5179 6.4400 6.4400 6.4936 6.4936 6.5968 6.5968 6.8365 6.8365 k = 0.3958 0.2285 0.5443 ( 11254 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0527 -21.0527 -21.0477 -21.0477 -20.9310 -20.9310 -20.6794 -20.6794 -20.6303 -20.6303 -20.5935 -20.5935 -4.4560 -4.4560 -4.1236 -4.1236 -3.7407 -3.7407 -3.2327 -3.2327 -2.9530 -2.9530 -2.8299 -2.8299 -2.7950 -2.7950 -2.6670 -2.6670 -2.4635 -2.4635 -2.1537 -2.1537 -2.1351 -2.1351 -2.0506 -2.0506 -1.9454 -1.9454 -1.9187 -1.9187 -1.7283 -1.7283 -1.6665 -1.6665 -1.5625 -1.5625 -1.3448 -1.3448 5.2890 5.2890 5.4959 5.4959 5.5201 5.5201 6.4431 6.4431 6.4979 6.4979 6.6077 6.6077 6.8261 6.8261 k = 0.3906 0.2255 0.5613 ( 11251 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4360 -29.4360 -29.4358 -29.4358 -21.0544 -21.0544 -21.0529 -21.0529 -20.9334 -20.9334 -20.6745 -20.6745 -20.6273 -20.6273 -20.5915 -20.5915 -4.4710 -4.4710 -4.1338 -4.1338 -3.7515 -3.7515 -3.2474 -3.2474 -2.9407 -2.9407 -2.8172 -2.8172 -2.7786 -2.7786 -2.6576 -2.6576 -2.4471 -2.4471 -2.1342 -2.1342 -2.1176 -2.1176 -2.0336 -2.0336 -1.9685 -1.9685 -1.9405 -1.9405 -1.7428 -1.7428 -1.6682 -1.6682 -1.5730 -1.5730 -1.3372 -1.3372 5.2731 5.2731 5.4986 5.4986 5.5225 5.5225 6.4455 6.4455 6.5013 6.5013 6.6189 6.6189 6.8180 6.8180 k = 0.3854 0.2225 0.5784 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.0589 -21.0589 -21.0546 -21.0546 -20.9358 -20.9358 -20.6698 -20.6698 -20.6243 -20.6243 -20.5900 -20.5900 -4.4838 -4.4838 -4.1439 -4.1439 -3.7617 -3.7617 -3.2616 -3.2616 -2.9280 -2.9280 -2.8050 -2.8050 -2.7628 -2.7628 -2.6484 -2.6484 -2.4327 -2.4327 -2.1185 -2.1185 -2.1013 -2.1013 -2.0239 -2.0239 -1.9874 -1.9874 -1.9551 -1.9551 -1.7571 -1.7571 -1.6695 -1.6695 -1.5837 -1.5837 -1.3298 -1.3298 5.2572 5.2572 5.5015 5.5015 5.5251 5.5251 6.4472 6.4472 6.5039 6.5039 6.6303 6.6303 6.8123 6.8123 k = 0.3802 0.2195 0.5954 ( 11264 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4358 -29.4358 -21.0640 -21.0640 -21.0549 -21.0549 -20.9383 -20.9383 -20.6653 -20.6653 -20.6213 -20.6213 -20.5891 -20.5891 -4.4943 -4.4943 -4.1539 -4.1539 -3.7712 -3.7712 -3.2755 -3.2755 -2.9150 -2.9150 -2.7935 -2.7935 -2.7475 -2.7475 -2.6393 -2.6393 -2.4206 -2.4206 -2.1115 -2.1115 -2.0857 -2.0857 -2.0279 -2.0279 -1.9986 -1.9986 -1.9548 -1.9548 -1.7709 -1.7709 -1.6704 -1.6704 -1.5944 -1.5944 -1.3225 -1.3225 5.2414 5.2414 5.5045 5.5045 5.5279 5.5279 6.4482 6.4482 6.5058 6.5058 6.6418 6.6418 6.8090 6.8090 k = 0.3750 0.2165 0.6124 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.6250-0.0722 0.4082 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0827 -30.0827 -29.4359 -29.4359 -29.4357 -29.4357 -21.0690 -21.0690 -21.0545 -21.0545 -20.9406 -20.9406 -20.6611 -20.6611 -20.6184 -20.6184 -20.5887 -20.5887 -4.5028 -4.5028 -4.1638 -4.1638 -3.7801 -3.7801 -3.2888 -3.2888 -2.9021 -2.9021 -2.7832 -2.7832 -2.7327 -2.7327 -2.6302 -2.6302 -2.4111 -2.4111 -2.1164 -2.1164 -2.0771 -2.0771 -2.0345 -2.0345 -2.0013 -2.0013 -1.9419 -1.9419 -1.7838 -1.7838 -1.6709 -1.6709 -1.6051 -1.6051 -1.3153 -1.3153 5.2256 5.2256 5.5075 5.5075 5.5307 5.5307 6.4486 6.4486 6.5069 6.5069 6.6534 6.6534 6.7999 6.7999 k = 0.6161-0.0876 0.4082 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4359 -29.4359 -29.4357 -29.4357 -21.0773 -21.0773 -21.0534 -21.0534 -20.9447 -20.9447 -20.6542 -20.6542 -20.6134 -20.6134 -20.5886 -20.5886 -4.5152 -4.5152 -4.1804 -4.1804 -3.7941 -3.7941 -3.3104 -3.3104 -2.8800 -2.8800 -2.7673 -2.7673 -2.7084 -2.7084 -2.6149 -2.6149 -2.3972 -2.3972 -2.1350 -2.1350 -2.0760 -2.0760 -2.0367 -2.0367 -2.0000 -2.0000 -1.9109 -1.9109 -1.8047 -1.8047 -1.6709 -1.6709 -1.6234 -1.6234 -1.3035 -1.3035 5.1992 5.1992 5.5123 5.5123 5.5351 5.5351 6.4492 6.4492 6.5082 6.5082 6.6729 6.6729 6.7663 6.7663 k = 0.6071-0.1031 0.4082 ( 11250 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4357 -29.4357 -21.0852 -21.0852 -21.0524 -21.0524 -20.9485 -20.9485 -20.6478 -20.6478 -20.6084 -20.6084 -20.5885 -20.5885 -4.5274 -4.5274 -4.1964 -4.1964 -3.8071 -3.8071 -3.3307 -3.3307 -2.8580 -2.8580 -2.7525 -2.7525 -2.6854 -2.6854 -2.6006 -2.6006 -2.3832 -2.3832 -2.1541 -2.1541 -2.0735 -2.0735 -2.0395 -2.0395 -2.0011 -2.0011 -1.8777 -1.8777 -1.8251 -1.8251 -1.6700 -1.6700 -1.6416 -1.6416 -1.2922 -1.2922 5.1738 5.1738 5.5163 5.5163 5.5388 5.5388 6.4501 6.4501 6.5096 6.5096 6.6914 6.6914 6.7340 6.7340 k = 0.5982-0.1186 0.4082 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4357 -29.4357 -21.0926 -21.0926 -21.0515 -21.0515 -20.9522 -20.9522 -20.6419 -20.6419 -20.6036 -20.6036 -20.5882 -20.5882 -4.5393 -4.5393 -4.2116 -4.2116 -3.8191 -3.8191 -3.3494 -3.3494 -2.8361 -2.8361 -2.7388 -2.7388 -2.6640 -2.6640 -2.5875 -2.5875 -2.3692 -2.3692 -2.1733 -2.1733 -2.0696 -2.0696 -2.0423 -2.0423 -2.0030 -2.0030 -1.8516 -1.8516 -1.8385 -1.8385 -1.6701 -1.6701 -1.6581 -1.6581 -1.2816 -1.2816 5.1495 5.1495 5.5195 5.5195 5.5418 5.5418 6.4515 6.4515 6.5110 6.5110 6.6973 6.6973 6.7148 6.7148 k = 0.5893-0.1340 0.4082 ( 11250 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4358 -29.4358 -29.4357 -29.4357 -21.0995 -21.0995 -21.0506 -21.0506 -20.9557 -20.9557 -20.6366 -20.6366 -20.5990 -20.5990 -20.5879 -20.5879 -4.5506 -4.5506 -4.2259 -4.2259 -3.8300 -3.8300 -3.3667 -3.3667 -2.8145 -2.8145 -2.7262 -2.7262 -2.6443 -2.6443 -2.5754 -2.5754 -2.3554 -2.3554 -2.1924 -2.1924 -2.0644 -2.0644 -2.0450 -2.0450 -2.0051 -2.0051 -1.8669 -1.8669 -1.8114 -1.8114 -1.6818 -1.6818 -1.6620 -1.6620 -1.2718 -1.2718 5.1267 5.1267 5.5221 5.5221 5.5443 5.5443 6.4531 6.4531 6.5125 6.5125 6.6701 6.6701 6.7293 6.7293 k = 0.5804-0.1495 0.4082 ( 11266 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4357 -29.4357 -21.1058 -21.1058 -21.0499 -21.0499 -20.9589 -20.9589 -20.6319 -20.6319 -20.5947 -20.5947 -20.5874 -20.5874 -4.5612 -4.5612 -4.2392 -4.2392 -3.8399 -3.8399 -3.3824 -3.3824 -2.7933 -2.7933 -2.7149 -2.7149 -2.6265 -2.6265 -2.5644 -2.5644 -2.3418 -2.3418 -2.2113 -2.2113 -2.0580 -2.0580 -2.0475 -2.0475 -2.0071 -2.0071 -1.8858 -1.8858 -1.7823 -1.7823 -1.6996 -1.6996 -1.6591 -1.6591 -1.2628 -1.2628 5.1054 5.1054 5.5242 5.5242 5.5462 5.5462 6.4548 6.4548 6.5138 6.5138 6.6426 6.6426 6.7449 6.7449 k = 0.5714-0.1650 0.4082 ( 11258 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4357 -29.4357 -21.1115 -21.1115 -21.0493 -21.0493 -20.9619 -20.9619 -20.6278 -20.6278 -20.5909 -20.5909 -20.5866 -20.5866 -4.5712 -4.5712 -4.2514 -4.2514 -3.8487 -3.8487 -3.3964 -3.3964 -2.7729 -2.7729 -2.7047 -2.7047 -2.6106 -2.6106 -2.5544 -2.5544 -2.3286 -2.3286 -2.2298 -2.2298 -2.0510 -2.0510 -2.0491 -2.0491 -2.0090 -2.0090 -1.9041 -1.9041 -1.7558 -1.7558 -1.7176 -1.7176 -1.6550 -1.6550 -1.2545 -1.2545 5.0859 5.0859 5.5258 5.5258 5.5478 5.5478 6.4566 6.4566 6.5150 6.5150 6.6172 6.6172 6.7595 6.7595 k = 0.5625-0.1804 0.4082 ( 11262 PWs) bands (ev): -53.3381 -53.3381 -30.0826 -30.0826 -29.4357 -29.4357 -29.4356 -29.4356 -21.1166 -21.1166 -21.0487 -21.0487 -20.9645 -20.9645 -20.6243 -20.6243 -20.5884 -20.5884 -20.5848 -20.5848 -4.5802 -4.5802 -4.2623 -4.2623 -3.8564 -3.8564 -3.4089 -3.4089 -2.7533 -2.7533 -2.6957 -2.6957 -2.5967 -2.5967 -2.5454 -2.5454 -2.3159 -2.3159 -2.2476 -2.2476 -2.0518 -2.0518 -2.0418 -2.0418 -2.0107 -2.0107 -1.9214 -1.9214 -1.7369 -1.7369 -1.7308 -1.7308 -1.6502 -1.6502 -1.2472 -1.2472 5.0683 5.0683 5.5271 5.5271 5.5490 5.5490 6.4585 6.4585 6.5156 6.5156 6.5947 6.5947 6.7725 6.7725 k = 0.5536-0.1959 0.4082 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1210 -21.1210 -21.0482 -21.0482 -20.9669 -20.9669 -20.6214 -20.6214 -20.5872 -20.5872 -20.5821 -20.5821 -4.5883 -4.5883 -4.2720 -4.2720 -3.8630 -3.8630 -3.4197 -3.4197 -2.7351 -2.7351 -2.6878 -2.6878 -2.5850 -2.5850 -2.5374 -2.5374 -2.3040 -2.3040 -2.2643 -2.2643 -2.0535 -2.0535 -2.0328 -2.0328 -2.0122 -2.0122 -1.9374 -1.9374 -1.7531 -1.7531 -1.7116 -1.7116 -1.6448 -1.6448 -1.2407 -1.2407 5.0528 5.0528 5.5280 5.5280 5.5499 5.5499 6.4602 6.4602 6.5154 6.5154 6.5756 6.5756 6.7840 6.7840 k = 0.5446-0.2114 0.4082 ( 11270 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1248 -21.1248 -21.0478 -21.0478 -20.9689 -20.9689 -20.6190 -20.6190 -20.5865 -20.5865 -20.5793 -20.5793 -4.5952 -4.5952 -4.2802 -4.2802 -3.8686 -3.8686 -3.4289 -3.4289 -2.7187 -2.7187 -2.6808 -2.6808 -2.5753 -2.5753 -2.5303 -2.5303 -2.2937 -2.2937 -2.2790 -2.2790 -2.0549 -2.0549 -2.0235 -2.0235 -2.0135 -2.0135 -1.9518 -1.9518 -1.7694 -1.7694 -1.6951 -1.6951 -1.6389 -1.6389 -1.2352 -1.2352 5.0395 5.0395 5.5286 5.5286 5.5505 5.5505 6.4618 6.4618 6.5138 6.5138 6.5607 6.5607 6.7939 6.7939 k = 0.5357-0.2268 0.4082 ( 11268 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1280 -21.1280 -21.0475 -21.0475 -20.9706 -20.9706 -20.6172 -20.6172 -20.5859 -20.5859 -20.5768 -20.5768 -4.6011 -4.6011 -4.2871 -4.2871 -3.8732 -3.8732 -3.4365 -3.4365 -2.7046 -2.7046 -2.6747 -2.6747 -2.5677 -2.5677 -2.5243 -2.5243 -2.2958 -2.2958 -2.2810 -2.2810 -2.0561 -2.0561 -2.0147 -2.0147 -2.0144 -2.0144 -1.9641 -1.9641 -1.7843 -1.7843 -1.6824 -1.6824 -1.6329 -1.6329 -1.2307 -1.2307 5.0284 5.0284 5.5291 5.5291 5.5510 5.5510 6.4632 6.4632 6.5103 6.5103 6.5505 6.5505 6.8020 6.8020 k = 0.5268-0.2423 0.4082 ( 11284 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1304 -21.1304 -21.0473 -21.0473 -20.9719 -20.9719 -20.6158 -20.6158 -20.5854 -20.5854 -20.5749 -20.5749 -4.6057 -4.6057 -4.2924 -4.2924 -3.8767 -3.8767 -3.4423 -3.4423 -2.6936 -2.6936 -2.6691 -2.6691 -2.5619 -2.5619 -2.5195 -2.5195 -2.3066 -2.3066 -2.2735 -2.2735 -2.0570 -2.0570 -2.0154 -2.0154 -2.0069 -2.0069 -1.9737 -1.9737 -1.7973 -1.7973 -1.6733 -1.6733 -1.6270 -1.6270 -1.2271 -1.2271 5.0197 5.0197 5.5294 5.5294 5.5513 5.5513 6.4643 6.4643 6.5053 6.5053 6.5447 6.5447 6.7995 6.7995 k = 0.5179-0.2577 0.4082 ( 11290 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1322 -21.1322 -21.0471 -21.0471 -20.9728 -20.9728 -20.6148 -20.6148 -20.5851 -20.5851 -20.5735 -20.5735 -4.6090 -4.6090 -4.2963 -4.2963 -3.8792 -3.8792 -3.4465 -3.4465 -2.6861 -2.6861 -2.6642 -2.6642 -2.5580 -2.5580 -2.5159 -2.5159 -2.3153 -2.3153 -2.2673 -2.2673 -2.0577 -2.0577 -2.0160 -2.0160 -2.0018 -2.0018 -1.9795 -1.9795 -1.8075 -1.8075 -1.6674 -1.6674 -1.6222 -1.6222 -1.2246 -1.2246 5.0135 5.0135 5.5296 5.5296 5.5515 5.5515 6.4651 6.4651 6.5004 6.5004 6.5419 6.5419 6.7988 6.7988 k = 0.5089-0.2732 0.4082 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1332 -21.1332 -21.0470 -21.0470 -20.9734 -20.9734 -20.6142 -20.6142 -20.5849 -20.5849 -20.5726 -20.5726 -4.6110 -4.6110 -4.2986 -4.2986 -3.8807 -3.8807 -3.4490 -3.4490 -2.6820 -2.6820 -2.6607 -2.6607 -2.5556 -2.5556 -2.5137 -2.5137 -2.3208 -2.3208 -2.2634 -2.2634 -2.0580 -2.0580 -2.0163 -2.0163 -2.0002 -2.0002 -1.9813 -1.9813 -1.8141 -1.8141 -1.6641 -1.6641 -1.6190 -1.6190 -1.2230 -1.2230 5.0097 5.0097 5.5297 5.5297 5.5517 5.5517 6.4656 6.4656 6.4970 6.4970 6.5407 6.5407 6.7984 6.7984 k = 0.5000-0.2887 0.4082 ( 11278 PWs) bands (ev): -53.3381 -53.3381 -30.0825 -30.0825 -29.4357 -29.4357 -29.4356 -29.4356 -21.1336 -21.1336 -21.0470 -21.0470 -20.9736 -20.9736 -20.6141 -20.6141 -20.5848 -20.5848 -20.5723 -20.5723 -4.6117 -4.6117 -4.2994 -4.2994 -3.8812 -3.8812 -3.4499 -3.4499 -2.6807 -2.6807 -2.6594 -2.6594 -2.5549 -2.5549 -2.5130 -2.5130 -2.3227 -2.3227 -2.2621 -2.2621 -2.0582 -2.0582 -2.0164 -2.0164 -2.0001 -2.0001 -1.9813 -1.9813 -1.8164 -1.8164 -1.6630 -1.6630 -1.6178 -1.6178 -1.2225 -1.2225 5.0084 5.0084 5.5297 5.5297 5.5517 5.5517 6.4658 6.4658 6.4958 6.4958 6.5403 6.5403 6.7982 6.7982 Writing output data file ZrTiF6.save init_run : 0.17s CPU 0.32s WALL ( 1 calls) electrons : 389.53s CPU 397.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 389.52s CPU 396.99s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 262 calls) cegterg : 367.48s CPU 373.96s WALL ( 448 calls) Called by sum_band: Called by *egterg: h_psi : 242.88s CPU 245.26s WALL ( 6845 calls) s_psi : 7.24s CPU 7.31s WALL ( 6845 calls) g_psi : 0.83s CPU 0.87s WALL ( 6135 calls) cdiaghg : 76.54s CPU 77.67s WALL ( 6397 calls) cegterg:over : 22.25s CPU 22.11s WALL ( 6135 calls) cegterg:upda : 20.56s CPU 20.42s WALL ( 6135 calls) cegterg:last : 11.29s CPU 11.22s WALL ( 1231 calls) cdiaghg:chol : 4.39s CPU 4.54s WALL ( 6397 calls) cdiaghg:inve : 3.20s CPU 3.25s WALL ( 6397 calls) cdiaghg:para : 5.44s CPU 5.62s WALL ( 12794 calls) Called by h_psi: h_psi:vloc : 222.19s CPU 224.42s WALL ( 6845 calls) h_psi:vnl : 19.94s CPU 20.05s WALL ( 6845 calls) add_vuspsi : 9.44s CPU 9.39s WALL ( 6845 calls) General routines calbec : 10.46s CPU 10.64s WALL ( 6845 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 211.34s CPU 213.10s WALL ( 1040216 calls) davcio : 0.19s CPU 0.29s WALL ( 524 calls) Parallel routines fft_scatter : 64.86s CPU 65.44s WALL ( 1040231 calls) PWSCF : 7m 0.66s CPU 7m22.40s WALL This run was terminated on: 18:12:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=