Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:11: 5 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: ./BaxNiP2x2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 49 35 10 1421 841 134 Max 50 36 11 1426 870 137 Sum 1793 1279 375 51267 30743 4873 bravais-lattice index = 14 lattice parameter (alat) = 10.3144 a.u. unit-cell volume = 835.8866 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.314381 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.279288 celldm(5)= -0.279288 celldm(6)= -0.441424 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.441424 0.897299 0.000000 ) a(3) = ( -0.279288 -0.448649 0.848948 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.491947 0.588965 ) b(2) = ( 0.000000 1.114456 0.588965 ) b(3) = ( 0.000000 0.000000 1.177929 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Ni 10.00 58.69340 Ni( 1.00) P 5.00 30.97380 P( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0173225), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0346450), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0519675), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0692899), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.0866124), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.1039349), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.1212574), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.1385799), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.1559024), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.1732249), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.1905474), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.2078698), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.2251923), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.2425148), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.2598373), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.2771598), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.2944823), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.3118048), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.3291272), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.3464497), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.3637722), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.3810947), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.3984172), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.4157397), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.4330622), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.4503847), wk = 0.0032787 k( 28) = ( 0.0000000 0.0000000 0.4677071), wk = 0.0032787 k( 29) = ( 0.0000000 0.0000000 0.4850296), wk = 0.0032787 k( 30) = ( 0.0000000 0.0000000 0.5023521), wk = 0.0032787 k( 31) = ( 0.0000000 0.0000000 0.5196746), wk = 0.0032787 k( 32) = ( 0.0000000 0.0000000 0.5369971), wk = 0.0032787 k( 33) = ( 0.0000000 0.0000000 0.5543196), wk = 0.0032787 k( 34) = ( 0.0000000 0.0000000 0.5716421), wk = 0.0032787 k( 35) = ( 0.0000000 0.0000000 0.5889646), wk = 0.0032787 k( 36) = ( 0.0000000 0.0000000 0.5889646), wk = 0.0032787 k( 37) = ( -0.0147059 0.0091545 0.5889646), wk = 0.0032787 k( 38) = ( -0.0294118 0.0183091 0.5889646), wk = 0.0032787 k( 39) = ( -0.0441177 0.0274636 0.5889646), wk = 0.0032787 k( 40) = ( -0.0588235 0.0366182 0.5889646), wk = 0.0032787 k( 41) = ( -0.0735294 0.0457727 0.5889646), wk = 0.0032787 k( 42) = ( -0.0882353 0.0549272 0.5889646), wk = 0.0032787 k( 43) = ( -0.1029412 0.0640818 0.5889646), wk = 0.0032787 k( 44) = ( -0.1176471 0.0732363 0.5889646), wk = 0.0032787 k( 45) = ( -0.1323529 0.0823908 0.5889646), wk = 0.0032787 k( 46) = ( -0.1470588 0.0915454 0.5889646), wk = 0.0032787 k( 47) = ( -0.1617647 0.1006999 0.5889646), wk = 0.0032787 k( 48) = ( -0.1764706 0.1098545 0.5889646), wk = 0.0032787 k( 49) = ( -0.1911765 0.1190090 0.5889646), wk = 0.0032787 k( 50) = ( -0.2058823 0.1281635 0.5889646), wk = 0.0032787 k( 51) = ( -0.2205882 0.1373181 0.5889646), wk = 0.0032787 k( 52) = ( -0.2352941 0.1464726 0.5889646), wk = 0.0032787 k( 53) = ( -0.2500000 0.1556272 0.5889646), wk = 0.0032787 k( 54) = ( -0.2647059 0.1647817 0.5889646), wk = 0.0032787 k( 55) = ( -0.2794118 0.1739362 0.5889646), wk = 0.0032787 k( 56) = ( -0.2941177 0.1830908 0.5889646), wk = 0.0032787 k( 57) = ( -0.3088235 0.1922453 0.5889646), wk = 0.0032787 k( 58) = ( -0.3235294 0.2013998 0.5889646), wk = 0.0032787 k( 59) = ( -0.3382353 0.2105544 0.5889646), wk = 0.0032787 k( 60) = ( -0.3529412 0.2197089 0.5889646), wk = 0.0032787 k( 61) = ( -0.3676471 0.2288635 0.5889646), wk = 0.0032787 k( 62) = ( -0.3823529 0.2380180 0.5889646), wk = 0.0032787 k( 63) = ( -0.3970588 0.2471725 0.5889646), wk = 0.0032787 k( 64) = ( -0.4117647 0.2563271 0.5889646), wk = 0.0032787 k( 65) = ( -0.4264706 0.2654816 0.5889646), wk = 0.0032787 k( 66) = ( -0.4411765 0.2746362 0.5889646), wk = 0.0032787 k( 67) = ( -0.4558823 0.2837907 0.5889646), wk = 0.0032787 k( 68) = ( -0.4705882 0.2929452 0.5889646), wk = 0.0032787 k( 69) = ( -0.4852941 0.3020998 0.5889646), wk = 0.0032787 k( 70) = ( -0.5000000 0.3112543 0.5889646), wk = 0.0032787 k( 71) = ( -0.5000000 0.3112543 0.5889646), wk = 0.0032787 k( 72) = ( -0.4895833 0.3047698 0.5766945), wk = 0.0032787 k( 73) = ( -0.4791667 0.2982854 0.5644244), wk = 0.0032787 k( 74) = ( -0.4687500 0.2918009 0.5521543), wk = 0.0032787 k( 75) = ( -0.4583333 0.2853165 0.5398842), wk = 0.0032787 k( 76) = ( -0.4479167 0.2788320 0.5276141), wk = 0.0032787 k( 77) = ( -0.4375000 0.2723475 0.5153440), wk = 0.0032787 k( 78) = ( -0.4270833 0.2658631 0.5030739), wk = 0.0032787 k( 79) = ( -0.4166667 0.2593786 0.4908038), wk = 0.0032787 k( 80) = ( -0.4062500 0.2528941 0.4785337), wk = 0.0032787 k( 81) = ( -0.3958333 0.2464097 0.4662636), wk = 0.0032787 k( 82) = ( -0.3854167 0.2399252 0.4539935), wk = 0.0032787 k( 83) = ( -0.3750000 0.2334407 0.4417234), wk = 0.0032787 k( 84) = ( -0.3645833 0.2269563 0.4294533), wk = 0.0032787 k( 85) = ( -0.3541667 0.2204718 0.4171832), wk = 0.0032787 k( 86) = ( -0.3437500 0.2139873 0.4049131), wk = 0.0032787 k( 87) = ( -0.3333333 0.2075029 0.3926430), wk = 0.0032787 k( 88) = ( -0.3229167 0.2010184 0.3803729), wk = 0.0032787 k( 89) = ( -0.3125000 0.1945339 0.3681028), wk = 0.0032787 k( 90) = ( -0.3020833 0.1880495 0.3558327), wk = 0.0032787 k( 91) = ( -0.2916667 0.1815650 0.3435627), wk = 0.0032787 k( 92) = ( -0.2812500 0.1750806 0.3312926), wk = 0.0032787 k( 93) = ( -0.2708333 0.1685961 0.3190225), wk = 0.0032787 k( 94) = ( -0.2604167 0.1621116 0.3067524), wk = 0.0032787 k( 95) = ( -0.2500000 0.1556272 0.2944823), wk = 0.0032787 k( 96) = ( -0.2395833 0.1491427 0.2822122), wk = 0.0032787 k( 97) = ( -0.2291667 0.1426582 0.2699421), wk = 0.0032787 k( 98) = ( -0.2187500 0.1361738 0.2576720), wk = 0.0032787 k( 99) = ( -0.2083333 0.1296893 0.2454019), wk = 0.0032787 k( 100) = ( -0.1979167 0.1232048 0.2331318), wk = 0.0032787 k( 101) = ( -0.1875000 0.1167204 0.2208617), wk = 0.0032787 k( 102) = ( -0.1770833 0.1102359 0.2085916), wk = 0.0032787 k( 103) = ( -0.1666667 0.1037514 0.1963215), wk = 0.0032787 k( 104) = ( -0.1562500 0.0972670 0.1840514), wk = 0.0032787 k( 105) = ( -0.1458333 0.0907825 0.1717813), wk = 0.0032787 k( 106) = ( -0.1354167 0.0842980 0.1595112), wk = 0.0032787 k( 107) = ( -0.1250000 0.0778136 0.1472411), wk = 0.0032787 k( 108) = ( -0.1145833 0.0713291 0.1349710), wk = 0.0032787 k( 109) = ( -0.1041667 0.0648447 0.1227010), wk = 0.0032787 k( 110) = ( -0.0937500 0.0583602 0.1104309), wk = 0.0032787 k( 111) = ( -0.0833333 0.0518757 0.0981608), wk = 0.0032787 k( 112) = ( -0.0729167 0.0453913 0.0858907), wk = 0.0032787 k( 113) = ( -0.0625000 0.0389068 0.0736206), wk = 0.0032787 k( 114) = ( -0.0520833 0.0324223 0.0613505), wk = 0.0032787 k( 115) = ( -0.0416667 0.0259379 0.0490804), wk = 0.0032787 k( 116) = ( -0.0312500 0.0194534 0.0368103), wk = 0.0032787 k( 117) = ( -0.0208333 0.0129689 0.0245402), wk = 0.0032787 k( 118) = ( -0.0104167 0.0064845 0.0122701), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 121) = ( 0.0090563 0.0145481 -0.0000000), wk = 0.0032787 k( 122) = ( 0.0181126 0.0290961 -0.0000000), wk = 0.0032787 k( 123) = ( 0.0271689 0.0436442 -0.0000000), wk = 0.0032787 k( 124) = ( 0.0362252 0.0581923 -0.0000000), wk = 0.0032787 k( 125) = ( 0.0452815 0.0727403 -0.0000000), wk = 0.0032787 k( 126) = ( 0.0543378 0.0872884 -0.0000000), wk = 0.0032787 k( 127) = ( 0.0633941 0.1018365 -0.0000000), wk = 0.0032787 k( 128) = ( 0.0724504 0.1163845 -0.0000000), wk = 0.0032787 k( 129) = ( 0.0815067 0.1309326 -0.0000000), wk = 0.0032787 k( 130) = ( 0.0905630 0.1454807 -0.0000000), wk = 0.0032787 k( 131) = ( 0.0996193 0.1600287 -0.0000000), wk = 0.0032787 k( 132) = ( 0.1086755 0.1745768 -0.0000000), wk = 0.0032787 k( 133) = ( 0.1177318 0.1891248 -0.0000000), wk = 0.0032787 k( 134) = ( 0.1267881 0.2036729 -0.0000000), wk = 0.0032787 k( 135) = ( 0.1358444 0.2182210 -0.0000000), wk = 0.0032787 k( 136) = ( 0.1449007 0.2327690 -0.0000000), wk = 0.0032787 k( 137) = ( 0.1539570 0.2473171 -0.0000000), wk = 0.0032787 k( 138) = ( 0.1630133 0.2618652 -0.0000000), wk = 0.0032787 k( 139) = ( 0.1720696 0.2764132 -0.0000000), wk = 0.0032787 k( 140) = ( 0.1811259 0.2909613 -0.0000000), wk = 0.0032787 k( 141) = ( 0.1901822 0.3055094 -0.0000000), wk = 0.0032787 k( 142) = ( 0.1992385 0.3200574 -0.0000000), wk = 0.0032787 k( 143) = ( 0.2082948 0.3346055 -0.0000000), wk = 0.0032787 k( 144) = ( 0.2173511 0.3491536 -0.0000000), wk = 0.0032787 k( 145) = ( 0.2264074 0.3637016 -0.0000000), wk = 0.0032787 k( 146) = ( 0.2354637 0.3782497 -0.0000000), wk = 0.0032787 k( 147) = ( 0.2445200 0.3927978 -0.0000000), wk = 0.0032787 k( 148) = ( 0.2535763 0.4073458 -0.0000000), wk = 0.0032787 k( 149) = ( 0.2626326 0.4218939 -0.0000000), wk = 0.0032787 k( 150) = ( 0.2716889 0.4364419 -0.0000000), wk = 0.0032787 k( 151) = ( 0.2807452 0.4509900 -0.0000000), wk = 0.0032787 k( 152) = ( 0.2898015 0.4655381 -0.0000000), wk = 0.0032787 k( 153) = ( 0.2988578 0.4800861 -0.0000000), wk = 0.0032787 k( 154) = ( 0.3079141 0.4946342 -0.0000000), wk = 0.0032787 k( 155) = ( 0.3169704 0.5091823 -0.0000000), wk = 0.0032787 k( 156) = ( 0.3260266 0.5237303 -0.0000000), wk = 0.0032787 k( 157) = ( 0.3350829 0.5382784 -0.0000000), wk = 0.0032787 k( 158) = ( 0.3441392 0.5528265 -0.0000000), wk = 0.0032787 k( 159) = ( 0.3531955 0.5673745 -0.0000000), wk = 0.0032787 k( 160) = ( 0.3622518 0.5819226 -0.0000000), wk = 0.0032787 k( 161) = ( 0.3713081 0.5964707 -0.0000000), wk = 0.0032787 k( 162) = ( 0.3803644 0.6110187 -0.0000000), wk = 0.0032787 k( 163) = ( 0.3894207 0.6255668 -0.0000000), wk = 0.0032787 k( 164) = ( 0.3984770 0.6401149 -0.0000000), wk = 0.0032787 k( 165) = ( 0.4075333 0.6546629 -0.0000000), wk = 0.0032787 k( 166) = ( 0.4165896 0.6692110 -0.0000000), wk = 0.0032787 k( 167) = ( 0.4256459 0.6837590 -0.0000000), wk = 0.0032787 k( 168) = ( 0.4347022 0.6983071 -0.0000000), wk = 0.0032787 k( 169) = ( 0.4437585 0.7128552 -0.0000000), wk = 0.0032787 k( 170) = ( 0.4437585 0.7128552 -0.0000000), wk = 0.0032787 k( 171) = ( 0.4389145 0.7050738 0.0147241), wk = 0.0032787 k( 172) = ( 0.4340706 0.6972925 0.0294482), wk = 0.0032787 k( 173) = ( 0.4292266 0.6895111 0.0441723), wk = 0.0032787 k( 174) = ( 0.4243826 0.6817297 0.0588965), wk = 0.0032787 k( 175) = ( 0.4195387 0.6739484 0.0736206), wk = 0.0032787 k( 176) = ( 0.4146947 0.6661670 0.0883447), wk = 0.0032787 k( 177) = ( 0.4098508 0.6583857 0.1030688), wk = 0.0032787 k( 178) = ( 0.4050068 0.6506043 0.1177929), wk = 0.0032787 k( 179) = ( 0.4001628 0.6428229 0.1325170), wk = 0.0032787 k( 180) = ( 0.3953189 0.6350416 0.1472411), wk = 0.0032787 k( 181) = ( 0.3904749 0.6272602 0.1619653), wk = 0.0032787 k( 182) = ( 0.3856309 0.6194789 0.1766894), wk = 0.0032787 k( 183) = ( 0.3807870 0.6116975 0.1914135), wk = 0.0032787 k( 184) = ( 0.3759430 0.6039162 0.2061376), wk = 0.0032787 k( 185) = ( 0.3710991 0.5961348 0.2208617), wk = 0.0032787 k( 186) = ( 0.3662551 0.5883535 0.2355858), wk = 0.0032787 k( 187) = ( 0.3614111 0.5805721 0.2503099), wk = 0.0032787 k( 188) = ( 0.3565672 0.5727907 0.2650340), wk = 0.0032787 k( 189) = ( 0.3517232 0.5650094 0.2797582), wk = 0.0032787 k( 190) = ( 0.3468792 0.5572280 0.2944823), wk = 0.0032787 k( 191) = ( 0.3420353 0.5494467 0.3092064), wk = 0.0032787 k( 192) = ( 0.3371913 0.5416653 0.3239305), wk = 0.0032787 k( 193) = ( 0.3323474 0.5338839 0.3386546), wk = 0.0032787 k( 194) = ( 0.3275034 0.5261026 0.3533787), wk = 0.0032787 k( 195) = ( 0.3226594 0.5183212 0.3681028), wk = 0.0032787 k( 196) = ( 0.3178155 0.5105399 0.3828270), wk = 0.0032787 k( 197) = ( 0.3129715 0.5027585 0.3975511), wk = 0.0032787 k( 198) = ( 0.3081275 0.4949772 0.4122752), wk = 0.0032787 k( 199) = ( 0.3032836 0.4871958 0.4269993), wk = 0.0032787 k( 200) = ( 0.2984396 0.4794144 0.4417234), wk = 0.0032787 k( 201) = ( 0.2935957 0.4716331 0.4564475), wk = 0.0032787 k( 202) = ( 0.2887517 0.4638517 0.4711716), wk = 0.0032787 k( 203) = ( 0.2839077 0.4560704 0.4858958), wk = 0.0032787 k( 204) = ( 0.2790638 0.4482890 0.5006199), wk = 0.0032787 k( 205) = ( 0.2742198 0.4405076 0.5153440), wk = 0.0032787 k( 206) = ( 0.2693758 0.4327263 0.5300681), wk = 0.0032787 k( 207) = ( 0.2645319 0.4249449 0.5447922), wk = 0.0032787 k( 208) = ( 0.2596879 0.4171636 0.5595163), wk = 0.0032787 k( 209) = ( 0.2548440 0.4093822 0.5742404), wk = 0.0032787 k( 210) = ( 0.2500000 0.4016009 0.5889646), wk = 0.0032787 k( 211) = ( 0.2500000 0.4016009 0.5889646), wk = 0.0032787 k( 212) = ( 0.2395833 0.4080853 0.5766945), wk = 0.0032787 k( 213) = ( 0.2291667 0.4145698 0.5644244), wk = 0.0032787 k( 214) = ( 0.2187500 0.4210543 0.5521543), wk = 0.0032787 k( 215) = ( 0.2083333 0.4275387 0.5398842), wk = 0.0032787 k( 216) = ( 0.1979167 0.4340232 0.5276141), wk = 0.0032787 k( 217) = ( 0.1875000 0.4405077 0.5153440), wk = 0.0032787 k( 218) = ( 0.1770833 0.4469921 0.5030739), wk = 0.0032787 k( 219) = ( 0.1666667 0.4534766 0.4908038), wk = 0.0032787 k( 220) = ( 0.1562500 0.4599610 0.4785337), wk = 0.0032787 k( 221) = ( 0.1458333 0.4664455 0.4662636), wk = 0.0032787 k( 222) = ( 0.1354167 0.4729300 0.4539935), wk = 0.0032787 k( 223) = ( 0.1250000 0.4794144 0.4417234), wk = 0.0032787 k( 224) = ( 0.1145833 0.4858989 0.4294533), wk = 0.0032787 k( 225) = ( 0.1041667 0.4923834 0.4171832), wk = 0.0032787 k( 226) = ( 0.0937500 0.4988678 0.4049131), wk = 0.0032787 k( 227) = ( 0.0833333 0.5053523 0.3926430), wk = 0.0032787 k( 228) = ( 0.0729167 0.5118368 0.3803729), wk = 0.0032787 k( 229) = ( 0.0625000 0.5183212 0.3681028), wk = 0.0032787 k( 230) = ( 0.0520833 0.5248057 0.3558327), wk = 0.0032787 k( 231) = ( 0.0416667 0.5312902 0.3435627), wk = 0.0032787 k( 232) = ( 0.0312500 0.5377746 0.3312926), wk = 0.0032787 k( 233) = ( 0.0208333 0.5442591 0.3190225), wk = 0.0032787 k( 234) = ( 0.0104167 0.5507436 0.3067524), wk = 0.0032787 k( 235) = ( 0.0000000 0.5572280 0.2944823), wk = 0.0032787 k( 236) = ( 0.0000000 0.5572280 0.2944823), wk = 0.0032787 k( 237) = ( -0.0138674 0.5523647 0.3036848), wk = 0.0032787 k( 238) = ( -0.0277349 0.5475013 0.3128874), wk = 0.0032787 k( 239) = ( -0.0416024 0.5426380 0.3220900), wk = 0.0032787 k( 240) = ( -0.0554698 0.5377746 0.3312926), wk = 0.0032787 k( 241) = ( -0.0693373 0.5329113 0.3404951), wk = 0.0032787 k( 242) = ( -0.0832047 0.5280479 0.3496977), wk = 0.0032787 k( 243) = ( -0.0970722 0.5231846 0.3589003), wk = 0.0032787 k( 244) = ( -0.1109396 0.5183212 0.3681028), wk = 0.0032787 k( 245) = ( -0.1248071 0.5134579 0.3773054), wk = 0.0032787 k( 246) = ( -0.1386745 0.5085945 0.3865080), wk = 0.0032787 k( 247) = ( -0.1525420 0.5037312 0.3957106), wk = 0.0032787 k( 248) = ( -0.1664094 0.4988678 0.4049131), wk = 0.0032787 k( 249) = ( -0.1802769 0.4940045 0.4141157), wk = 0.0032787 k( 250) = ( -0.1941443 0.4891411 0.4233183), wk = 0.0032787 k( 251) = ( -0.2080118 0.4842778 0.4325208), wk = 0.0032787 k( 252) = ( -0.2218793 0.4794144 0.4417234), wk = 0.0032787 k( 253) = ( -0.2357467 0.4745511 0.4509260), wk = 0.0032787 k( 254) = ( -0.2496142 0.4696877 0.4601286), wk = 0.0032787 k( 255) = ( -0.2634816 0.4648244 0.4693311), wk = 0.0032787 k( 256) = ( -0.2773491 0.4599610 0.4785337), wk = 0.0032787 k( 257) = ( -0.2912165 0.4550977 0.4877363), wk = 0.0032787 k( 258) = ( -0.3050840 0.4502344 0.4969388), wk = 0.0032787 k( 259) = ( -0.3189514 0.4453710 0.5061414), wk = 0.0032787 k( 260) = ( -0.3328189 0.4405077 0.5153440), wk = 0.0032787 k( 261) = ( -0.3466863 0.4356443 0.5245466), wk = 0.0032787 k( 262) = ( -0.3605538 0.4307809 0.5337491), wk = 0.0032787 k( 263) = ( -0.3744212 0.4259176 0.5429517), wk = 0.0032787 k( 264) = ( -0.3882887 0.4210543 0.5521543), wk = 0.0032787 k( 265) = ( -0.4021561 0.4161909 0.5613568), wk = 0.0032787 k( 266) = ( -0.4160236 0.4113276 0.5705594), wk = 0.0032787 k( 267) = ( -0.4298910 0.4064642 0.5797620), wk = 0.0032787 k( 268) = ( -0.4437585 0.4016009 0.5889646), wk = 0.0032787 k( 269) = ( -0.4437585 0.4016009 0.5889646), wk = 0.0032787 k( 270) = ( -0.4517930 0.3886942 0.5889646), wk = 0.0032787 k( 271) = ( -0.4598275 0.3757876 0.5889646), wk = 0.0032787 k( 272) = ( -0.4678620 0.3628809 0.5889646), wk = 0.0032787 k( 273) = ( -0.4758965 0.3499743 0.5889646), wk = 0.0032787 k( 274) = ( -0.4839310 0.3370676 0.5889646), wk = 0.0032787 k( 275) = ( -0.4919655 0.3241610 0.5889646), wk = 0.0032787 k( 276) = ( -0.5000000 0.3112543 0.5889646), wk = 0.0032787 k( 277) = ( 0.0000000 0.0000000 0.5889646), wk = 0.0032787 k( 278) = ( 0.0089286 0.0143429 0.5889646), wk = 0.0032787 k( 279) = ( 0.0178571 0.0286858 0.5889646), wk = 0.0032787 k( 280) = ( 0.0267857 0.0430287 0.5889646), wk = 0.0032787 k( 281) = ( 0.0357143 0.0573716 0.5889646), wk = 0.0032787 k( 282) = ( 0.0446429 0.0717144 0.5889646), wk = 0.0032787 k( 283) = ( 0.0535714 0.0860573 0.5889646), wk = 0.0032787 k( 284) = ( 0.0625000 0.1004002 0.5889646), wk = 0.0032787 k( 285) = ( 0.0714286 0.1147431 0.5889646), wk = 0.0032787 k( 286) = ( 0.0803571 0.1290860 0.5889646), wk = 0.0032787 k( 287) = ( 0.0892857 0.1434289 0.5889646), wk = 0.0032787 k( 288) = ( 0.0982143 0.1577718 0.5889646), wk = 0.0032787 k( 289) = ( 0.1071429 0.1721147 0.5889646), wk = 0.0032787 k( 290) = ( 0.1160714 0.1864575 0.5889646), wk = 0.0032787 k( 291) = ( 0.1250000 0.2008004 0.5889646), wk = 0.0032787 k( 292) = ( 0.1339286 0.2151433 0.5889646), wk = 0.0032787 k( 293) = ( 0.1428571 0.2294862 0.5889646), wk = 0.0032787 k( 294) = ( 0.1517857 0.2438291 0.5889646), wk = 0.0032787 k( 295) = ( 0.1607143 0.2581720 0.5889646), wk = 0.0032787 k( 296) = ( 0.1696429 0.2725149 0.5889646), wk = 0.0032787 k( 297) = ( 0.1785714 0.2868578 0.5889646), wk = 0.0032787 k( 298) = ( 0.1875000 0.3012006 0.5889646), wk = 0.0032787 k( 299) = ( 0.1964286 0.3155435 0.5889646), wk = 0.0032787 k( 300) = ( 0.2053571 0.3298864 0.5889646), wk = 0.0032787 k( 301) = ( 0.2142857 0.3442293 0.5889646), wk = 0.0032787 k( 302) = ( 0.2232143 0.3585722 0.5889646), wk = 0.0032787 k( 303) = ( 0.2321429 0.3729151 0.5889646), wk = 0.0032787 k( 304) = ( 0.2410714 0.3872580 0.5889646), wk = 0.0032787 k( 305) = ( 0.2500000 0.4016009 0.5889646), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032787 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0032787 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032787 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0032787 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032787 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0032787 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032787 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0032787 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 37) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0032787 k( 38) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0032787 k( 39) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0032787 k( 40) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0032787 k( 41) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0032787 k( 42) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0032787 k( 43) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0032787 k( 44) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0032787 k( 45) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0032787 k( 46) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0032787 k( 47) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0032787 k( 48) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0032787 k( 49) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0032787 k( 50) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0032787 k( 51) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0032787 k( 52) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0032787 k( 53) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0032787 k( 54) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0032787 k( 55) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0032787 k( 56) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0032787 k( 57) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0032787 k( 58) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0032787 k( 59) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0032787 k( 60) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0032787 k( 61) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0032787 k( 62) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0032787 k( 63) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0032787 k( 64) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0032787 k( 65) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0032787 k( 66) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0032787 k( 67) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0032787 k( 68) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0032787 k( 69) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0032787 k( 70) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 71) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 72) = ( -0.4895833 0.4895833 0.4895833), wk = 0.0032787 k( 73) = ( -0.4791667 0.4791667 0.4791667), wk = 0.0032787 k( 74) = ( -0.4687500 0.4687500 0.4687500), wk = 0.0032787 k( 75) = ( -0.4583333 0.4583333 0.4583333), wk = 0.0032787 k( 76) = ( -0.4479167 0.4479167 0.4479167), wk = 0.0032787 k( 77) = ( -0.4375000 0.4375000 0.4375000), wk = 0.0032787 k( 78) = ( -0.4270833 0.4270833 0.4270833), wk = 0.0032787 k( 79) = ( -0.4166667 0.4166667 0.4166667), wk = 0.0032787 k( 80) = ( -0.4062500 0.4062500 0.4062500), wk = 0.0032787 k( 81) = ( -0.3958333 0.3958333 0.3958333), wk = 0.0032787 k( 82) = ( -0.3854167 0.3854167 0.3854167), wk = 0.0032787 k( 83) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0032787 k( 84) = ( -0.3645833 0.3645833 0.3645833), wk = 0.0032787 k( 85) = ( -0.3541667 0.3541667 0.3541667), wk = 0.0032787 k( 86) = ( -0.3437500 0.3437500 0.3437500), wk = 0.0032787 k( 87) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0032787 k( 88) = ( -0.3229167 0.3229167 0.3229167), wk = 0.0032787 k( 89) = ( -0.3125000 0.3125000 0.3125000), wk = 0.0032787 k( 90) = ( -0.3020833 0.3020833 0.3020833), wk = 0.0032787 k( 91) = ( -0.2916667 0.2916667 0.2916667), wk = 0.0032787 k( 92) = ( -0.2812500 0.2812500 0.2812500), wk = 0.0032787 k( 93) = ( -0.2708333 0.2708333 0.2708333), wk = 0.0032787 k( 94) = ( -0.2604167 0.2604167 0.2604167), wk = 0.0032787 k( 95) = ( -0.2500000 0.2500000 0.2500000), wk = 0.0032787 k( 96) = ( -0.2395833 0.2395833 0.2395833), wk = 0.0032787 k( 97) = ( -0.2291667 0.2291667 0.2291667), wk = 0.0032787 k( 98) = ( -0.2187500 0.2187500 0.2187500), wk = 0.0032787 k( 99) = ( -0.2083333 0.2083333 0.2083333), wk = 0.0032787 k( 100) = ( -0.1979167 0.1979167 0.1979167), wk = 0.0032787 k( 101) = ( -0.1875000 0.1875000 0.1875000), wk = 0.0032787 k( 102) = ( -0.1770833 0.1770833 0.1770833), wk = 0.0032787 k( 103) = ( -0.1666667 0.1666667 0.1666667), wk = 0.0032787 k( 104) = ( -0.1562500 0.1562500 0.1562500), wk = 0.0032787 k( 105) = ( -0.1458333 0.1458333 0.1458333), wk = 0.0032787 k( 106) = ( -0.1354167 0.1354167 0.1354167), wk = 0.0032787 k( 107) = ( -0.1250000 0.1250000 0.1250000), wk = 0.0032787 k( 108) = ( -0.1145833 0.1145833 0.1145833), wk = 0.0032787 k( 109) = ( -0.1041667 0.1041667 0.1041667), wk = 0.0032787 k( 110) = ( -0.0937500 0.0937500 0.0937500), wk = 0.0032787 k( 111) = ( -0.0833333 0.0833333 0.0833333), wk = 0.0032787 k( 112) = ( -0.0729167 0.0729167 0.0729167), wk = 0.0032787 k( 113) = ( -0.0625000 0.0625000 0.0625000), wk = 0.0032787 k( 114) = ( -0.0520833 0.0520833 0.0520833), wk = 0.0032787 k( 115) = ( -0.0416667 0.0416667 0.0416667), wk = 0.0032787 k( 116) = ( -0.0312500 0.0312500 0.0312500), wk = 0.0032787 k( 117) = ( -0.0208333 0.0208333 0.0208333), wk = 0.0032787 k( 118) = ( -0.0104167 0.0104167 0.0104167), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 121) = ( 0.0090563 0.0090563 -0.0090563), wk = 0.0032787 k( 122) = ( 0.0181126 0.0181126 -0.0181126), wk = 0.0032787 k( 123) = ( 0.0271689 0.0271689 -0.0271689), wk = 0.0032787 k( 124) = ( 0.0362252 0.0362252 -0.0362252), wk = 0.0032787 k( 125) = ( 0.0452815 0.0452815 -0.0452815), wk = 0.0032787 k( 126) = ( 0.0543378 0.0543378 -0.0543378), wk = 0.0032787 k( 127) = ( 0.0633941 0.0633941 -0.0633941), wk = 0.0032787 k( 128) = ( 0.0724504 0.0724504 -0.0724504), wk = 0.0032787 k( 129) = ( 0.0815067 0.0815067 -0.0815067), wk = 0.0032787 k( 130) = ( 0.0905630 0.0905630 -0.0905630), wk = 0.0032787 k( 131) = ( 0.0996193 0.0996192 -0.0996193), wk = 0.0032787 k( 132) = ( 0.1086755 0.1086755 -0.1086756), wk = 0.0032787 k( 133) = ( 0.1177318 0.1177318 -0.1177319), wk = 0.0032787 k( 134) = ( 0.1267881 0.1267881 -0.1267881), wk = 0.0032787 k( 135) = ( 0.1358444 0.1358444 -0.1358444), wk = 0.0032787 k( 136) = ( 0.1449007 0.1449007 -0.1449007), wk = 0.0032787 k( 137) = ( 0.1539570 0.1539570 -0.1539570), wk = 0.0032787 k( 138) = ( 0.1630133 0.1630133 -0.1630133), wk = 0.0032787 k( 139) = ( 0.1720696 0.1720696 -0.1720696), wk = 0.0032787 k( 140) = ( 0.1811259 0.1811259 -0.1811259), wk = 0.0032787 k( 141) = ( 0.1901822 0.1901822 -0.1901822), wk = 0.0032787 k( 142) = ( 0.1992385 0.1992385 -0.1992385), wk = 0.0032787 k( 143) = ( 0.2082948 0.2082948 -0.2082948), wk = 0.0032787 k( 144) = ( 0.2173511 0.2173511 -0.2173511), wk = 0.0032787 k( 145) = ( 0.2264074 0.2264074 -0.2264074), wk = 0.0032787 k( 146) = ( 0.2354637 0.2354637 -0.2354637), wk = 0.0032787 k( 147) = ( 0.2445200 0.2445200 -0.2445200), wk = 0.0032787 k( 148) = ( 0.2535763 0.2535763 -0.2535763), wk = 0.0032787 k( 149) = ( 0.2626326 0.2626326 -0.2626326), wk = 0.0032787 k( 150) = ( 0.2716889 0.2716889 -0.2716889), wk = 0.0032787 k( 151) = ( 0.2807452 0.2807452 -0.2807452), wk = 0.0032787 k( 152) = ( 0.2898015 0.2898015 -0.2898015), wk = 0.0032787 k( 153) = ( 0.2988578 0.2988578 -0.2988578), wk = 0.0032787 k( 154) = ( 0.3079141 0.3079141 -0.3079141), wk = 0.0032787 k( 155) = ( 0.3169704 0.3169704 -0.3169704), wk = 0.0032787 k( 156) = ( 0.3260266 0.3260266 -0.3260266), wk = 0.0032787 k( 157) = ( 0.3350829 0.3350829 -0.3350829), wk = 0.0032787 k( 158) = ( 0.3441392 0.3441392 -0.3441392), wk = 0.0032787 k( 159) = ( 0.3531955 0.3531955 -0.3531955), wk = 0.0032787 k( 160) = ( 0.3622518 0.3622518 -0.3622518), wk = 0.0032787 k( 161) = ( 0.3713081 0.3713081 -0.3713081), wk = 0.0032787 k( 162) = ( 0.3803644 0.3803644 -0.3803644), wk = 0.0032787 k( 163) = ( 0.3894207 0.3894207 -0.3894207), wk = 0.0032787 k( 164) = ( 0.3984770 0.3984770 -0.3984770), wk = 0.0032787 k( 165) = ( 0.4075333 0.4075333 -0.4075333), wk = 0.0032787 k( 166) = ( 0.4165896 0.4165896 -0.4165896), wk = 0.0032787 k( 167) = ( 0.4256459 0.4256459 -0.4256459), wk = 0.0032787 k( 168) = ( 0.4347022 0.4347022 -0.4347022), wk = 0.0032787 k( 169) = ( 0.4437585 0.4437585 -0.4437585), wk = 0.0032787 k( 170) = ( 0.4437585 0.4437585 -0.4437585), wk = 0.0032787 k( 171) = ( 0.4389145 0.4389145 -0.4264145), wk = 0.0032787 k( 172) = ( 0.4340706 0.4340706 -0.4090706), wk = 0.0032787 k( 173) = ( 0.4292266 0.4292266 -0.3917266), wk = 0.0032787 k( 174) = ( 0.4243826 0.4243826 -0.3743826), wk = 0.0032787 k( 175) = ( 0.4195387 0.4195387 -0.3570387), wk = 0.0032787 k( 176) = ( 0.4146947 0.4146947 -0.3396947), wk = 0.0032787 k( 177) = ( 0.4098508 0.4098508 -0.3223508), wk = 0.0032787 k( 178) = ( 0.4050068 0.4050068 -0.3050068), wk = 0.0032787 k( 179) = ( 0.4001628 0.4001628 -0.2876628), wk = 0.0032787 k( 180) = ( 0.3953189 0.3953189 -0.2703189), wk = 0.0032787 k( 181) = ( 0.3904749 0.3904749 -0.2529749), wk = 0.0032787 k( 182) = ( 0.3856309 0.3856309 -0.2356310), wk = 0.0032787 k( 183) = ( 0.3807870 0.3807870 -0.2182870), wk = 0.0032787 k( 184) = ( 0.3759430 0.3759430 -0.2009430), wk = 0.0032787 k( 185) = ( 0.3710991 0.3710991 -0.1835991), wk = 0.0032787 k( 186) = ( 0.3662551 0.3662551 -0.1662551), wk = 0.0032787 k( 187) = ( 0.3614111 0.3614111 -0.1489111), wk = 0.0032787 k( 188) = ( 0.3565672 0.3565672 -0.1315672), wk = 0.0032787 k( 189) = ( 0.3517232 0.3517232 -0.1142232), wk = 0.0032787 k( 190) = ( 0.3468792 0.3468792 -0.0968792), wk = 0.0032787 k( 191) = ( 0.3420353 0.3420353 -0.0795353), wk = 0.0032787 k( 192) = ( 0.3371913 0.3371913 -0.0621913), wk = 0.0032787 k( 193) = ( 0.3323474 0.3323474 -0.0448474), wk = 0.0032787 k( 194) = ( 0.3275034 0.3275034 -0.0275034), wk = 0.0032787 k( 195) = ( 0.3226594 0.3226594 -0.0101594), wk = 0.0032787 k( 196) = ( 0.3178155 0.3178155 0.0071845), wk = 0.0032787 k( 197) = ( 0.3129715 0.3129715 0.0245285), wk = 0.0032787 k( 198) = ( 0.3081275 0.3081275 0.0418725), wk = 0.0032787 k( 199) = ( 0.3032836 0.3032836 0.0592164), wk = 0.0032787 k( 200) = ( 0.2984396 0.2984396 0.0765604), wk = 0.0032787 k( 201) = ( 0.2935957 0.2935957 0.0939043), wk = 0.0032787 k( 202) = ( 0.2887517 0.2887517 0.1112483), wk = 0.0032787 k( 203) = ( 0.2839077 0.2839077 0.1285923), wk = 0.0032787 k( 204) = ( 0.2790638 0.2790638 0.1459362), wk = 0.0032787 k( 205) = ( 0.2742198 0.2742198 0.1632802), wk = 0.0032787 k( 206) = ( 0.2693758 0.2693758 0.1806242), wk = 0.0032787 k( 207) = ( 0.2645319 0.2645319 0.1979681), wk = 0.0032787 k( 208) = ( 0.2596879 0.2596879 0.2153121), wk = 0.0032787 k( 209) = ( 0.2548440 0.2548440 0.2326560), wk = 0.0032787 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 k( 211) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 k( 212) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0032787 k( 213) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0032787 k( 214) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0032787 k( 215) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0032787 k( 216) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0032787 k( 217) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0032787 k( 218) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0032787 k( 219) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032787 k( 220) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0032787 k( 221) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0032787 k( 222) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0032787 k( 223) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0032787 k( 224) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0032787 k( 225) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0032787 k( 226) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0032787 k( 227) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032787 k( 228) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0032787 k( 229) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0032787 k( 230) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0032787 k( 231) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0032787 k( 232) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0032787 k( 233) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0032787 k( 234) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0032787 k( 235) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 236) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 237) = ( -0.0138674 0.5017575 0.0138675), wk = 0.0032787 k( 238) = ( -0.0277349 0.5035151 0.0277349), wk = 0.0032787 k( 239) = ( -0.0416024 0.5052726 0.0416024), wk = 0.0032787 k( 240) = ( -0.0554698 0.5070302 0.0554698), wk = 0.0032787 k( 241) = ( -0.0693373 0.5087877 0.0693373), wk = 0.0032787 k( 242) = ( -0.0832047 0.5105453 0.0832047), wk = 0.0032787 k( 243) = ( -0.0970722 0.5123028 0.0970722), wk = 0.0032787 k( 244) = ( -0.1109396 0.5140604 0.1109396), wk = 0.0032787 k( 245) = ( -0.1248071 0.5158179 0.1248071), wk = 0.0032787 k( 246) = ( -0.1386745 0.5175755 0.1386745), wk = 0.0032787 k( 247) = ( -0.1525420 0.5193330 0.1525420), wk = 0.0032787 k( 248) = ( -0.1664094 0.5210906 0.1664094), wk = 0.0032787 k( 249) = ( -0.1802769 0.5228481 0.1802769), wk = 0.0032787 k( 250) = ( -0.1941443 0.5246057 0.1941443), wk = 0.0032787 k( 251) = ( -0.2080118 0.5263632 0.2080118), wk = 0.0032787 k( 252) = ( -0.2218793 0.5281208 0.2218793), wk = 0.0032787 k( 253) = ( -0.2357467 0.5298783 0.2357467), wk = 0.0032787 k( 254) = ( -0.2496142 0.5316358 0.2496142), wk = 0.0032787 k( 255) = ( -0.2634816 0.5333934 0.2634816), wk = 0.0032787 k( 256) = ( -0.2773491 0.5351509 0.2773491), wk = 0.0032787 k( 257) = ( -0.2912165 0.5369085 0.2912165), wk = 0.0032787 k( 258) = ( -0.3050840 0.5386660 0.3050840), wk = 0.0032787 k( 259) = ( -0.3189514 0.5404236 0.3189514), wk = 0.0032787 k( 260) = ( -0.3328189 0.5421811 0.3328189), wk = 0.0032787 k( 261) = ( -0.3466863 0.5439387 0.3466863), wk = 0.0032787 k( 262) = ( -0.3605538 0.5456962 0.3605538), wk = 0.0032787 k( 263) = ( -0.3744212 0.5474538 0.3744212), wk = 0.0032787 k( 264) = ( -0.3882887 0.5492113 0.3882887), wk = 0.0032787 k( 265) = ( -0.4021561 0.5509689 0.4021561), wk = 0.0032787 k( 266) = ( -0.4160236 0.5527264 0.4160236), wk = 0.0032787 k( 267) = ( -0.4298910 0.5544840 0.4298910), wk = 0.0032787 k( 268) = ( -0.4437585 0.5562415 0.4437585), wk = 0.0032787 k( 269) = ( -0.4437585 0.5562415 0.4437585), wk = 0.0032787 k( 270) = ( -0.4517930 0.5482070 0.4517930), wk = 0.0032787 k( 271) = ( -0.4598275 0.5401725 0.4598275), wk = 0.0032787 k( 272) = ( -0.4678620 0.5321380 0.4678620), wk = 0.0032787 k( 273) = ( -0.4758965 0.5241035 0.4758965), wk = 0.0032787 k( 274) = ( -0.4839310 0.5160690 0.4839310), wk = 0.0032787 k( 275) = ( -0.4919655 0.5080345 0.4919655), wk = 0.0032787 k( 276) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 278) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0032787 k( 279) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0032787 k( 280) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0032787 k( 281) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0032787 k( 282) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0032787 k( 283) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0032787 k( 284) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0032787 k( 285) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0032787 k( 286) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0032787 k( 287) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0032787 k( 288) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0032787 k( 289) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0032787 k( 290) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0032787 k( 291) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032787 k( 292) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0032787 k( 293) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0032787 k( 294) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0032787 k( 295) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0032787 k( 296) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0032787 k( 297) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0032787 k( 298) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0032787 k( 299) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0032787 k( 300) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0032787 k( 301) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0032787 k( 302) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0032787 k( 303) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0032787 k( 304) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0032787 k( 305) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 Dense grid: 51267 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 30743 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 228, 60) NL pseudopotentials 0.42 Mb ( 114, 239) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1426) G-vector shells 0.00 Mb ( 639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 228, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.44 Mb ( 239, 2, 60) The potential is recalculated from file : ./BaxNiP2x2.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.3 secs Computing kpt #: 12 total cpu time spent up to now is 13.3 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.4 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 17.9 secs Computing kpt #: 18 total cpu time spent up to now is 18.7 secs Computing kpt #: 19 total cpu time spent up to now is 19.9 secs Computing kpt #: 20 total cpu time spent up to now is 21.0 secs Computing kpt #: 21 total cpu time spent up to now is 22.0 secs Computing kpt #: 22 total cpu time spent up to now is 23.0 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 24.7 secs Computing kpt #: 25 total cpu time spent up to now is 25.6 secs Computing kpt #: 26 total cpu time spent up to now is 26.4 secs Computing kpt #: 27 total cpu time spent up to now is 27.2 secs Computing kpt #: 28 total cpu time spent up to now is 28.0 secs Computing kpt #: 29 total cpu time spent up to now is 28.7 secs Computing kpt #: 30 total cpu time spent up to now is 29.4 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 30.6 secs Computing kpt #: 33 total cpu time spent up to now is 31.3 secs Computing kpt #: 34 total cpu time spent up to now is 32.0 secs Computing kpt #: 35 total cpu time spent up to now is 32.6 secs Computing kpt #: 36 total cpu time spent up to now is 33.3 secs Computing kpt #: 37 total cpu time spent up to now is 34.0 secs Computing kpt #: 38 total cpu time spent up to now is 34.6 secs Computing kpt #: 39 total cpu time spent up to now is 35.3 secs Computing kpt #: 40 total cpu time spent up to now is 36.0 secs Computing kpt #: 41 total cpu time spent up to now is 36.7 secs Computing kpt #: 42 total cpu time spent up to now is 37.4 secs Computing kpt #: 43 total cpu time spent up to now is 38.1 secs Computing kpt #: 44 total cpu time spent up to now is 38.9 secs Computing kpt #: 45 total cpu time spent up to now is 39.6 secs Computing kpt #: 46 total cpu time spent up to now is 40.4 secs Computing kpt #: 47 total cpu time spent up to now is 41.1 secs Computing kpt #: 48 total cpu time spent up to now is 41.9 secs Computing kpt #: 49 total cpu time spent up to now is 42.7 secs Computing kpt #: 50 total cpu time spent up to now is 43.6 secs Computing kpt #: 51 total cpu time spent up to now is 44.6 secs Computing kpt #: 52 total cpu time spent up to now is 45.6 secs Computing kpt #: 53 total cpu time spent up to now is 46.7 secs Computing kpt #: 54 total cpu time spent up to now is 47.7 secs Computing kpt #: 55 total cpu time spent up to now is 48.7 secs Computing kpt #: 56 total cpu time spent up to now is 49.6 secs Computing kpt #: 57 total cpu time spent up to now is 50.5 secs Computing kpt #: 58 total cpu time spent up to now is 51.4 secs Computing kpt #: 59 total cpu time spent up to now is 52.3 secs Computing kpt #: 60 total cpu time spent up to now is 53.2 secs Computing kpt #: 61 total cpu time spent up to now is 54.0 secs Computing kpt #: 62 total cpu time spent up to now is 54.9 secs Computing kpt #: 63 total cpu time spent up to now is 55.7 secs Computing kpt #: 64 total cpu time spent up to now is 56.6 secs Computing kpt #: 65 total cpu time spent up to now is 57.4 secs Computing kpt #: 66 total cpu time spent up to now is 58.3 secs Computing kpt #: 67 total cpu time spent up to now is 59.1 secs Computing kpt #: 68 total cpu time spent up to now is 59.8 secs Computing kpt #: 69 total cpu time spent up to now is 60.5 secs Computing kpt #: 70 total cpu time spent up to now is 61.2 secs Computing kpt #: 71 total cpu time spent up to now is 61.9 secs Computing kpt #: 72 total cpu time spent up to now is 62.7 secs Computing kpt #: 73 total cpu time spent up to now is 63.6 secs Computing kpt #: 74 total cpu time spent up to now is 64.4 secs Computing kpt #: 75 total cpu time spent up to now is 65.2 secs Computing kpt #: 76 total cpu time spent up to now is 66.0 secs Computing kpt #: 77 total cpu time spent up to now is 66.8 secs Computing kpt #: 78 total cpu time spent up to now is 67.7 secs Computing kpt #: 79 total cpu time spent up to now is 68.6 secs Computing kpt #: 80 total cpu time spent up to now is 69.5 secs Computing kpt #: 81 total cpu time spent up to now is 70.4 secs Computing kpt #: 82 total cpu time spent up to now is 71.2 secs Computing kpt #: 83 total cpu time spent up to now is 72.2 secs Computing kpt #: 84 total cpu time spent up to now is 73.1 secs Computing kpt #: 85 total cpu time spent up to now is 74.0 secs Computing kpt #: 86 total cpu time spent up to now is 75.0 secs Computing kpt #: 87 total cpu time spent up to now is 76.1 secs Computing kpt #: 88 total cpu time spent up to now is 77.2 secs Computing kpt #: 89 total cpu time spent up to now is 78.1 secs Computing kpt #: 90 total cpu time spent up to now is 79.0 secs Computing kpt #: 91 total cpu time spent up to now is 79.8 secs Computing kpt #: 92 total cpu time spent up to now is 80.6 secs Computing kpt #: 93 total cpu time spent up to now is 81.4 secs Computing kpt #: 94 total cpu time spent up to now is 82.2 secs Computing kpt #: 95 total cpu time spent up to now is 83.0 secs Computing kpt #: 96 total cpu time spent up to now is 83.7 secs Computing kpt #: 97 total cpu time spent up to now is 84.5 secs Computing kpt #: 98 total cpu time spent up to now is 85.2 secs Computing kpt #: 99 total cpu time spent up to now is 86.0 secs Computing kpt #: 100 total cpu time spent up to now is 86.7 secs Computing kpt #: 101 total cpu time spent up to now is 87.4 secs Computing kpt #: 102 total cpu time spent up to now is 88.2 secs Computing kpt #: 103 total cpu time spent up to now is 88.8 secs Computing kpt #: 104 total cpu time spent up to now is 89.6 secs Computing kpt #: 105 total cpu time spent up to now is 90.7 secs Computing kpt #: 106 total cpu time spent up to now is 91.7 secs Computing kpt #: 107 total cpu time spent up to now is 92.6 secs Computing kpt #: 108 total cpu time spent up to now is 93.4 secs Computing kpt #: 109 total cpu time spent up to now is 94.3 secs Computing kpt #: 110 total cpu time spent up to now is 95.2 secs Computing kpt #: 111 total cpu time spent up to now is 96.1 secs Computing kpt #: 112 total cpu time spent up to now is 97.0 secs Computing kpt #: 113 total cpu time spent up to now is 97.8 secs Computing kpt #: 114 total cpu time spent up to now is 98.7 secs Computing kpt #: 115 total cpu time spent up to now is 99.6 secs Computing kpt #: 116 total cpu time spent up to now is 100.4 secs Computing kpt #: 117 total cpu time spent up to now is 101.2 secs Computing kpt #: 118 total cpu time spent up to now is 102.0 secs Computing kpt #: 119 total cpu time spent up to now is 102.7 secs Computing kpt #: 120 total cpu time spent up to now is 103.4 secs Computing kpt #: 121 total cpu time spent up to now is 104.2 secs Computing kpt #: 122 total cpu time spent up to now is 105.0 secs Computing kpt #: 123 total cpu time spent up to now is 105.9 secs Computing kpt #: 124 total cpu time spent up to now is 106.7 secs Computing kpt #: 125 total cpu time spent up to now is 107.6 secs Computing kpt #: 126 total cpu time spent up to now is 108.3 secs Computing kpt #: 127 total cpu time spent up to now is 109.1 secs Computing kpt #: 128 total cpu time spent up to now is 110.0 secs Computing kpt #: 129 total cpu time spent up to now is 110.8 secs Computing kpt #: 130 total cpu time spent up to now is 111.6 secs Computing kpt #: 131 total cpu time spent up to now is 112.5 secs Computing kpt #: 132 total cpu time spent up to now is 113.3 secs Computing kpt #: 133 total cpu time spent up to now is 114.2 secs Computing kpt #: 134 total cpu time spent up to now is 115.1 secs Computing kpt #: 135 total cpu time spent up to now is 116.0 secs Computing kpt #: 136 total cpu time spent up to now is 117.0 secs Computing kpt #: 137 total cpu time spent up to now is 118.0 secs Computing kpt #: 138 total cpu time spent up to now is 119.3 secs Computing kpt #: 139 total cpu time spent up to now is 121.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.9 secs Computing kpt #: 143 total cpu time spent up to now is 128.5 secs Computing kpt #: 144 total cpu time spent up to now is 129.7 secs Computing kpt #: 145 total cpu time spent up to now is 130.8 secs Computing kpt #: 146 total cpu time spent up to now is 131.7 secs Computing kpt #: 147 total cpu time spent up to now is 132.6 secs Computing kpt #: 148 total cpu time spent up to now is 133.4 secs Computing kpt #: 149 total cpu time spent up to now is 134.2 secs Computing kpt #: 150 total cpu time spent up to now is 135.0 secs Computing kpt #: 151 total cpu time spent up to now is 136.0 secs Computing kpt #: 152 total cpu time spent up to now is 137.0 secs Computing kpt #: 153 total cpu time spent up to now is 138.0 secs Computing kpt #: 154 total cpu time spent up to now is 139.0 secs Computing kpt #: 155 total cpu time spent up to now is 140.0 secs Computing kpt #: 156 total cpu time spent up to now is 141.1 secs Computing kpt #: 157 total cpu time spent up to now is 142.4 secs Computing kpt #: 158 total cpu time spent up to now is 143.6 secs Computing kpt #: 159 total cpu time spent up to now is 144.7 secs Computing kpt #: 160 total cpu time spent up to now is 145.9 secs Computing kpt #: 161 total cpu time spent up to now is 147.0 secs Computing kpt #: 162 total cpu time spent up to now is 148.1 secs Computing kpt #: 163 total cpu time spent up to now is 149.2 secs Computing kpt #: 164 total cpu time spent up to now is 150.3 secs Computing kpt #: 165 total cpu time spent up to now is 151.3 secs Computing kpt #: 166 total cpu time spent up to now is 152.3 secs Computing kpt #: 167 total cpu time spent up to now is 153.3 secs Computing kpt #: 168 total cpu time spent up to now is 154.1 secs Computing kpt #: 169 total cpu time spent up to now is 154.9 secs Computing kpt #: 170 total cpu time spent up to now is 155.6 secs Computing kpt #: 171 total cpu time spent up to now is 156.4 secs Computing kpt #: 172 total cpu time spent up to now is 157.3 secs Computing kpt #: 173 total cpu time spent up to now is 158.1 secs Computing kpt #: 174 total cpu time spent up to now is 159.1 secs Computing kpt #: 175 total cpu time spent up to now is 160.1 secs Computing kpt #: 176 total cpu time spent up to now is 161.1 secs Computing kpt #: 177 total cpu time spent up to now is 162.3 secs Computing kpt #: 178 total cpu time spent up to now is 163.4 secs Computing kpt #: 179 total cpu time spent up to now is 164.7 secs Computing kpt #: 180 total cpu time spent up to now is 165.9 secs Computing kpt #: 181 total cpu time spent up to now is 167.2 secs Computing kpt #: 182 total cpu time spent up to now is 168.8 secs Computing kpt #: 183 total cpu time spent up to now is 170.1 secs Computing kpt #: 184 total cpu time spent up to now is 171.4 secs Computing kpt #: 185 total cpu time spent up to now is 172.7 secs Computing kpt #: 186 total cpu time spent up to now is 174.0 secs Computing kpt #: 187 total cpu time spent up to now is 175.0 secs Computing kpt #: 188 total cpu time spent up to now is 176.0 secs Computing kpt #: 189 total cpu time spent up to now is 176.9 secs Computing kpt #: 190 total cpu time spent up to now is 177.8 secs Computing kpt #: 191 total cpu time spent up to now is 178.6 secs Computing kpt #: 192 total cpu time spent up to now is 179.4 secs Computing kpt #: 193 total cpu time spent up to now is 180.2 secs Computing kpt #: 194 total cpu time spent up to now is 180.9 secs Computing kpt #: 195 total cpu time spent up to now is 181.7 secs Computing kpt #: 196 total cpu time spent up to now is 182.5 secs Computing kpt #: 197 total cpu time spent up to now is 183.3 secs Computing kpt #: 198 total cpu time spent up to now is 184.1 secs Computing kpt #: 199 total cpu time spent up to now is 185.0 secs Computing kpt #: 200 total cpu time spent up to now is 185.8 secs Computing kpt #: 201 total cpu time spent up to now is 186.7 secs Computing kpt #: 202 total cpu time spent up to now is 187.7 secs Computing kpt #: 203 total cpu time spent up to now is 188.8 secs Computing kpt #: 204 total cpu time spent up to now is 190.0 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.0 secs Computing kpt #: 206 total cpu time spent up to now is 193.8 secs Computing kpt #: 207 total cpu time spent up to now is 195.1 secs Computing kpt #: 208 total cpu time spent up to now is 196.2 secs Computing kpt #: 209 total cpu time spent up to now is 197.2 secs Computing kpt #: 210 total cpu time spent up to now is 198.3 secs Computing kpt #: 211 total cpu time spent up to now is 199.3 secs Computing kpt #: 212 total cpu time spent up to now is 200.4 secs Computing kpt #: 213 total cpu time spent up to now is 201.4 secs Computing kpt #: 214 total cpu time spent up to now is 202.4 secs Computing kpt #: 215 total cpu time spent up to now is 203.4 secs Computing kpt #: 216 total cpu time spent up to now is 204.5 secs Computing kpt #: 217 total cpu time spent up to now is 205.5 secs Computing kpt #: 218 total cpu time spent up to now is 206.5 secs Computing kpt #: 219 total cpu time spent up to now is 207.5 secs Computing kpt #: 220 total cpu time spent up to now is 208.6 secs Computing kpt #: 221 total cpu time spent up to now is 209.5 secs Computing kpt #: 222 total cpu time spent up to now is 210.4 secs Computing kpt #: 223 total cpu time spent up to now is 211.3 secs Computing kpt #: 224 total cpu time spent up to now is 212.2 secs Computing kpt #: 225 total cpu time spent up to now is 213.1 secs Computing kpt #: 226 total cpu time spent up to now is 214.0 secs Computing kpt #: 227 total cpu time spent up to now is 214.9 secs Computing kpt #: 228 total cpu time spent up to now is 215.8 secs Computing kpt #: 229 total cpu time spent up to now is 216.7 secs Computing kpt #: 230 total cpu time spent up to now is 217.6 secs Computing kpt #: 231 total cpu time spent up to now is 218.5 secs Computing kpt #: 232 total cpu time spent up to now is 219.5 secs Computing kpt #: 233 total cpu time spent up to now is 220.4 secs Computing kpt #: 234 total cpu time spent up to now is 221.3 secs Computing kpt #: 235 total cpu time spent up to now is 222.1 secs Computing kpt #: 236 total cpu time spent up to now is 223.0 secs Computing kpt #: 237 total cpu time spent up to now is 223.9 secs Computing kpt #: 238 total cpu time spent up to now is 224.8 secs Computing kpt #: 239 total cpu time spent up to now is 225.7 secs Computing kpt #: 240 total cpu time spent up to now is 226.6 secs Computing kpt #: 241 total cpu time spent up to now is 227.6 secs Computing kpt #: 242 total cpu time spent up to now is 228.5 secs Computing kpt #: 243 total cpu time spent up to now is 229.5 secs Computing kpt #: 244 total cpu time spent up to now is 230.5 secs Computing kpt #: 245 total cpu time spent up to now is 231.5 secs Computing kpt #: 246 total cpu time spent up to now is 232.6 secs Computing kpt #: 247 total cpu time spent up to now is 233.7 secs Computing kpt #: 248 total cpu time spent up to now is 234.7 secs Computing kpt #: 249 total cpu time spent up to now is 235.8 secs Computing kpt #: 250 total cpu time spent up to now is 236.9 secs Computing kpt #: 251 total cpu time spent up to now is 238.1 secs Computing kpt #: 252 total cpu time spent up to now is 239.5 secs Computing kpt #: 253 total cpu time spent up to now is 240.7 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.7 secs Computing kpt #: 255 total cpu time spent up to now is 244.0 secs Computing kpt #: 256 total cpu time spent up to now is 245.1 secs Computing kpt #: 257 total cpu time spent up to now is 246.4 secs Computing kpt #: 258 total cpu time spent up to now is 247.5 secs Computing kpt #: 259 total cpu time spent up to now is 248.7 secs Computing kpt #: 260 total cpu time spent up to now is 249.8 secs Computing kpt #: 261 total cpu time spent up to now is 250.9 secs Computing kpt #: 262 total cpu time spent up to now is 252.0 secs Computing kpt #: 263 total cpu time spent up to now is 252.9 secs Computing kpt #: 264 total cpu time spent up to now is 253.8 secs Computing kpt #: 265 total cpu time spent up to now is 254.7 secs Computing kpt #: 266 total cpu time spent up to now is 255.6 secs Computing kpt #: 267 total cpu time spent up to now is 256.4 secs Computing kpt #: 268 total cpu time spent up to now is 257.1 secs Computing kpt #: 269 total cpu time spent up to now is 257.9 secs Computing kpt #: 270 total cpu time spent up to now is 258.5 secs Computing kpt #: 271 total cpu time spent up to now is 259.2 secs Computing kpt #: 272 total cpu time spent up to now is 259.9 secs Computing kpt #: 273 total cpu time spent up to now is 260.6 secs Computing kpt #: 274 total cpu time spent up to now is 261.4 secs Computing kpt #: 275 total cpu time spent up to now is 262.1 secs Computing kpt #: 276 total cpu time spent up to now is 262.9 secs Computing kpt #: 277 total cpu time spent up to now is 263.6 secs Computing kpt #: 278 total cpu time spent up to now is 264.2 secs Computing kpt #: 279 total cpu time spent up to now is 264.9 secs Computing kpt #: 280 total cpu time spent up to now is 265.5 secs Computing kpt #: 281 total cpu time spent up to now is 266.3 secs Computing kpt #: 282 total cpu time spent up to now is 267.1 secs Computing kpt #: 283 total cpu time spent up to now is 267.9 secs Computing kpt #: 284 total cpu time spent up to now is 268.8 secs Computing kpt #: 285 total cpu time spent up to now is 269.7 secs Computing kpt #: 286 total cpu time spent up to now is 270.6 secs Computing kpt #: 287 total cpu time spent up to now is 271.5 secs Computing kpt #: 288 total cpu time spent up to now is 272.3 secs Computing kpt #: 289 total cpu time spent up to now is 273.2 secs Computing kpt #: 290 total cpu time spent up to now is 274.0 secs Computing kpt #: 291 total cpu time spent up to now is 274.8 secs Computing kpt #: 292 total cpu time spent up to now is 275.6 secs Computing kpt #: 293 total cpu time spent up to now is 276.4 secs Computing kpt #: 294 total cpu time spent up to now is 277.4 secs Computing kpt #: 295 total cpu time spent up to now is 278.9 secs Computing kpt #: 296 total cpu time spent up to now is 280.2 secs Computing kpt #: 297 total cpu time spent up to now is 281.2 secs Computing kpt #: 298 total cpu time spent up to now is 282.5 secs Computing kpt #: 299 total cpu time spent up to now is 283.6 secs Computing kpt #: 300 total cpu time spent up to now is 284.8 secs Computing kpt #: 301 total cpu time spent up to now is 286.6 secs Computing kpt #: 302 total cpu time spent up to now is 287.9 secs Computing kpt #: 303 total cpu time spent up to now is 289.1 secs Computing kpt #: 304 total cpu time spent up to now is 290.2 secs Computing kpt #: 305 total cpu time spent up to now is 291.2 secs ethr = 2.00E-08, avg # of iterations = 38.6 total cpu time spent up to now is 291.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -17.1356 -17.1356 -4.0987 -4.0987 -3.9002 -3.9002 -2.0282 -2.0282 -1.8912 -1.8912 -0.3724 -0.3724 -0.3524 -0.3524 2.1295 2.1295 2.6684 2.6684 4.2525 4.2525 6.4892 6.4892 6.5716 6.5716 6.5735 6.5735 6.7932 6.7932 6.8402 6.8402 6.8982 6.8982 7.6779 7.6779 8.1563 8.1563 8.2174 8.2174 8.2645 8.2645 8.4607 8.4607 8.6478 8.6478 8.7107 8.7107 8.9715 8.9715 9.6211 9.6211 9.6507 9.6507 12.0105 12.0105 13.3348 13.3348 13.4010 13.4010 13.6477 13.6477 k = 0.0000 0.0000 0.0173 ( 3835 PWs) bands (ev): -17.1356 -17.1356 -4.0990 -4.0990 -3.8995 -3.8995 -2.0283 -2.0283 -1.8914 -1.8914 -0.3741 -0.3741 -0.3538 -0.3538 2.1304 2.1304 2.6724 2.6724 4.2542 4.2542 6.4867 6.4867 6.5575 6.5575 6.5754 6.5754 6.7914 6.7914 6.8382 6.8382 6.9132 6.9132 7.6793 7.6793 8.1539 8.1539 8.2153 8.2153 8.2642 8.2642 8.4601 8.4601 8.6492 8.6492 8.7122 8.7122 8.9744 8.9744 9.6214 9.6214 9.6522 9.6522 12.0126 12.0126 13.3264 13.3264 13.3943 13.3943 13.6552 13.6552 k = 0.0000 0.0000 0.0346 ( 3825 PWs) bands (ev): -17.1355 -17.1355 -4.0997 -4.0997 -3.8975 -3.8975 -2.0287 -2.0287 -1.8921 -1.8921 -0.3798 -0.3798 -0.3573 -0.3573 2.1331 2.1331 2.6845 2.6845 4.2593 4.2593 6.4802 6.4802 6.5187 6.5187 6.5830 6.5830 6.7853 6.7853 6.8324 6.8324 6.9521 6.9521 7.6832 7.6832 8.1472 8.1472 8.2080 8.2080 8.2645 8.2645 8.4585 8.4585 8.6533 8.6533 8.7166 8.7166 8.9827 8.9827 9.6224 9.6224 9.6567 9.6567 12.0190 12.0190 13.2928 13.2928 13.3867 13.3867 13.6753 13.6753 k = 0.0000 0.0000 0.0520 ( 3824 PWs) bands (ev): -17.1355 -17.1355 -4.1008 -4.1008 -3.8941 -3.8941 -2.0294 -2.0294 -1.8932 -1.8932 -0.3906 -0.3906 -0.3615 -0.3615 2.1376 2.1376 2.7044 2.7044 4.2677 4.2677 6.4668 6.4668 6.4712 6.4712 6.5937 6.5937 6.7739 6.7739 6.8240 6.8240 7.0043 7.0043 7.6895 7.6895 8.1370 8.1370 8.1942 8.1942 8.2665 8.2665 8.4559 8.4559 8.6593 8.6593 8.7242 8.7242 8.9959 8.9959 9.6241 9.6241 9.6643 9.6643 12.0292 12.0292 13.2307 13.2307 13.3891 13.3891 13.7041 13.7041 k = 0.0000 0.0000 0.0693 ( 3828 PWs) bands (ev): -17.1354 -17.1354 -4.1022 -4.1022 -3.8896 -3.8896 -2.0304 -2.0304 -1.8949 -1.8949 -0.4066 -0.4066 -0.3657 -0.3657 2.1439 2.1439 2.7317 2.7317 4.2793 4.2793 6.4087 6.4087 6.4607 6.4607 6.6063 6.6063 6.7562 6.7562 6.8143 6.8143 7.0628 7.0628 7.6980 7.6980 8.1242 8.1242 8.1743 8.1743 8.2704 8.2704 8.4527 8.4527 8.6664 8.6664 8.7356 8.7356 9.0132 9.0132 9.6265 9.6265 9.6748 9.6748 12.0428 12.0428 13.1495 13.1495 13.3990 13.3990 13.7396 13.7396 k = 0.0000 0.0000 0.0866 ( 3840 PWs) bands (ev): -17.1353 -17.1353 -4.1038 -4.1038 -3.8840 -3.8840 -2.0318 -2.0318 -1.8972 -1.8972 -0.4271 -0.4271 -0.3701 -0.3701 2.1517 2.1517 2.7658 2.7658 4.2941 4.2941 6.3477 6.3477 6.4498 6.4498 6.6200 6.6200 6.7317 6.7317 6.8040 6.8040 7.1239 7.1239 7.7084 7.7084 8.1091 8.1091 8.1500 8.1500 8.2753 8.2753 8.4491 8.4491 8.6737 8.6737 8.7515 8.7515 9.0336 9.0336 9.6298 9.6298 9.6884 9.6884 12.0590 12.0590 13.0562 13.0562 13.4150 13.4150 13.7811 13.7811 k = 0.0000 0.0000 0.1039 ( 3840 PWs) bands (ev): -17.1352 -17.1352 -4.1054 -4.1054 -3.8775 -3.8775 -2.0337 -2.0337 -1.9003 -1.9003 -0.4510 -0.4510 -0.3749 -0.3749 2.1612 2.1612 2.8061 2.8061 4.3117 4.3117 6.2857 6.2857 6.4386 6.4386 6.6345 6.6345 6.7011 6.7011 6.7933 6.7933 7.1856 7.1856 7.7204 7.7204 8.0919 8.0919 8.1235 8.1235 8.2808 8.2808 8.4454 8.4454 8.6808 8.6808 8.7721 8.7721 9.0563 9.0563 9.6340 9.6340 9.7050 9.7050 12.0770 12.0770 12.9554 12.9554 13.4367 13.4367 13.8282 13.8282 k = 0.0000 0.0000 0.1213 ( 3842 PWs) bands (ev): -17.1351 -17.1351 -4.1069 -4.1069 -3.8703 -3.8703 -2.0361 -2.0361 -1.9042 -1.9042 -0.4775 -0.4775 -0.3801 -0.3801 2.1721 2.1721 2.8519 2.8519 4.3321 4.3321 6.2238 6.2238 6.4276 6.4276 6.6493 6.6493 6.6648 6.6648 6.7818 6.7818 7.2466 7.2466 7.7337 7.7337 8.0719 8.0719 8.0972 8.0972 8.2865 8.2865 8.4414 8.4414 8.6874 8.6874 8.7976 8.7976 9.0804 9.0804 9.6394 9.6394 9.7246 9.7246 12.0959 12.0959 12.8504 12.8504 13.4645 13.4645 13.8802 13.8802 k = 0.0000 0.0000 0.1386 ( 3848 PWs) bands (ev): -17.1350 -17.1350 -4.1082 -4.1082 -3.8624 -3.8624 -2.0393 -2.0393 -1.9089 -1.9089 -0.5056 -0.5056 -0.3858 -0.3858 2.1843 2.1843 2.9027 2.9027 4.3549 4.3549 6.1625 6.1625 6.4169 6.4169 6.6234 6.6234 6.6646 6.6646 6.7696 6.7696 7.3059 7.3059 7.7477 7.7477 8.0480 8.0480 8.0739 8.0739 8.2922 8.2922 8.4376 8.4376 8.6936 8.6936 8.8278 8.8278 9.1052 9.1052 9.6460 9.6460 9.7472 9.7472 12.1148 12.1148 12.7436 12.7436 13.4989 13.4989 13.9366 13.9366 k = 0.0000 0.0000 0.1559 ( 3850 PWs) bands (ev): -17.1348 -17.1348 -4.1091 -4.1091 -3.8541 -3.8541 -2.0435 -2.0435 -1.9146 -1.9146 -0.5345 -0.5345 -0.3920 -0.3920 2.1977 2.1977 2.9577 2.9577 4.3799 4.3799 6.1022 6.1022 6.4064 6.4064 6.5776 6.5776 6.6798 6.6798 6.7564 6.7564 7.3629 7.3629 7.7619 7.7619 8.0218 8.0218 8.0538 8.0538 8.2978 8.2978 8.4337 8.4337 8.6995 8.6995 8.8624 8.8624 9.1302 9.1302 9.6542 9.6542 9.7728 9.7728 12.1328 12.1328 12.6369 12.6369 13.5400 13.5400 13.9963 13.9963 k = 0.0000 0.0000 0.1732 ( 3846 PWs) bands (ev): -17.1347 -17.1347 -4.1096 -4.1096 -3.8453 -3.8453 -2.0490 -2.0490 -1.9211 -1.9211 -0.5632 -0.5632 -0.3985 -0.3985 2.2121 2.2121 3.0162 3.0162 4.4066 4.4066 6.0434 6.0434 6.3964 6.3964 6.5279 6.5279 6.6949 6.6949 6.7426 6.7426 7.4171 7.4171 7.7754 7.7754 7.9966 7.9966 8.0354 8.0354 8.3034 8.3034 8.4301 8.4301 8.7053 8.7053 8.9009 8.9009 9.1550 9.1550 9.6643 9.6643 9.8013 9.8013 12.1492 12.1492 12.5318 12.5318 13.5877 13.5877 14.0581 14.0581 k = 0.0000 0.0000 0.1905 ( 3850 PWs) bands (ev): -17.1345 -17.1345 -4.1096 -4.1096 -3.8364 -3.8364 -2.0562 -2.0562 -1.9282 -1.9282 -0.5911 -0.5911 -0.4053 -0.4053 2.2274 2.2274 3.0777 3.0777 4.4346 4.4346 5.9861 5.9861 6.3867 6.3867 6.4747 6.4747 6.7094 6.7094 6.7284 6.7284 7.4681 7.4681 7.7867 7.7867 7.9751 7.9751 8.0179 8.0179 8.3088 8.3088 8.4266 8.4266 8.7109 8.7109 8.9429 8.9429 9.1792 9.1792 9.6768 9.6768 9.8327 9.8327 12.1634 12.1634 12.4298 12.4298 13.6413 13.6413 14.1207 14.1207 k = 0.0000 0.0000 0.2079 ( 3858 PWs) bands (ev): -17.1343 -17.1343 -4.1089 -4.1089 -3.8272 -3.8272 -2.0655 -2.0655 -1.9357 -1.9357 -0.6175 -0.6175 -0.4124 -0.4124 2.2435 2.2435 3.1417 3.1417 4.4635 4.4635 5.9306 5.9306 6.3774 6.3774 6.4185 6.4185 6.7106 6.7106 6.7267 6.7267 7.5155 7.5155 7.7939 7.7939 7.9603 7.9603 8.0012 8.0012 8.3142 8.3142 8.4231 8.4231 8.7164 8.7164 8.9877 8.9877 9.2024 9.2024 9.6921 9.6921 9.8669 9.8669 12.1747 12.1747 12.3322 12.3322 13.6985 13.6985 14.1827 14.1827 k = 0.0000 0.0000 0.2252 ( 3854 PWs) bands (ev): -17.1341 -17.1341 -4.1076 -4.1076 -3.8179 -3.8179 -2.0775 -2.0775 -1.9432 -1.9432 -0.6417 -0.6417 -0.4197 -0.4197 2.2601 2.2601 3.2076 3.2076 4.4928 4.4928 5.8770 5.8770 6.3580 6.3580 6.3700 6.3700 6.6955 6.6955 6.7405 6.7405 7.5594 7.5594 7.7949 7.7949 7.9548 7.9548 7.9852 7.9852 8.3195 8.3195 8.4200 8.4200 8.7220 8.7220 9.0344 9.0344 9.2245 9.2245 9.7111 9.7111 9.9038 9.9038 12.1809 12.1809 12.2421 12.2421 13.7549 13.7549 14.2423 14.2423 k = 0.0000 0.0000 0.2425 ( 3850 PWs) bands (ev): -17.1339 -17.1339 -4.1057 -4.1057 -3.8086 -3.8086 -2.0924 -2.0924 -1.9503 -1.9503 -0.6634 -0.6634 -0.4271 -0.4271 2.2772 2.2772 3.2752 3.2752 4.5220 4.5220 5.8255 5.8255 6.2973 6.2973 6.3610 6.3610 6.6794 6.6794 6.7547 6.7547 7.5996 7.5996 7.7894 7.7894 7.9594 7.9594 7.9701 7.9701 8.3248 8.3248 8.4170 8.4170 8.7276 8.7276 9.0820 9.0820 9.2453 9.2453 9.7345 9.7345 9.9434 9.9434 12.1433 12.1433 12.1994 12.1994 13.8011 13.8011 14.3352 14.3352 k = 0.0000 0.0000 0.2598 ( 3858 PWs) bands (ev): -17.1337 -17.1337 -4.1031 -4.1031 -3.7993 -3.7993 -2.1108 -2.1108 -1.9568 -1.9568 -0.6822 -0.6822 -0.4345 -0.4345 2.2944 2.2944 3.3440 3.3440 4.5505 4.5505 5.7760 5.7760 6.2337 6.2337 6.3531 6.3531 6.6629 6.6629 6.7686 6.7686 7.6361 7.6361 7.7792 7.7792 7.9556 7.9556 7.9728 7.9728 8.3300 8.3300 8.4140 8.4140 8.7331 8.7331 9.1289 9.1289 9.2646 9.2646 9.7633 9.7633 9.9853 9.9853 12.0659 12.0659 12.2008 12.2008 13.8207 13.8207 14.3041 14.3041 k = 0.0000 0.0000 0.2772 ( 3858 PWs) bands (ev): -17.1335 -17.1335 -4.0998 -4.0998 -3.7900 -3.7900 -2.1324 -2.1324 -1.9624 -1.9624 -0.6979 -0.6979 -0.4419 -0.4419 2.3118 2.3118 3.4138 3.4138 4.5779 4.5779 5.7287 5.7287 6.1683 6.1683 6.3457 6.3457 6.6465 6.6465 6.7821 6.7821 7.6692 7.6692 7.7670 7.7670 7.9421 7.9421 7.9921 7.9921 8.3351 8.3351 8.4113 8.4113 8.7386 8.7386 9.1740 9.1740 9.2824 9.2824 9.7983 9.7983 10.0298 10.0298 11.9930 11.9930 12.2034 12.2034 13.7993 13.7993 14.3207 14.3207 k = 0.0000 0.0000 0.2945 ( 3858 PWs) bands (ev): -17.1332 -17.1332 -4.0958 -4.0958 -3.7809 -3.7809 -2.1572 -2.1572 -1.9672 -1.9672 -0.7106 -0.7106 -0.4491 -0.4491 2.3290 2.3290 3.4844 3.4844 4.6036 4.6036 5.6837 5.6837 6.1013 6.1013 6.3389 6.3389 6.6301 6.6301 6.7951 6.7951 7.6989 7.6989 7.7546 7.7546 7.9296 7.9296 8.0157 8.0157 8.3402 8.3402 8.4088 8.4088 8.7441 8.7441 9.2156 9.2156 9.2986 9.2986 9.8404 9.8404 10.0763 10.0763 11.9278 11.9278 12.2051 12.2051 13.7410 13.7410 14.3808 14.3809 k = 0.0000 0.0000 0.3118 ( 3858 PWs) bands (ev): -17.1330 -17.1330 -4.0913 -4.0913 -3.7718 -3.7718 -2.1849 -2.1849 -1.9712 -1.9712 -0.7202 -0.7202 -0.4563 -0.4563 2.3460 2.3460 3.5557 3.5557 4.6272 4.6272 5.6411 5.6411 6.0330 6.0330 6.3324 6.3324 6.6141 6.6141 6.8076 6.8076 7.7256 7.7256 7.7432 7.7432 7.9179 7.9179 8.0426 8.0426 8.3453 8.3453 8.4064 8.4064 8.7495 8.7495 9.2523 9.2523 9.3137 9.3137 9.8899 9.8899 10.1247 10.1247 11.8713 11.8713 12.2060 12.2060 13.6612 13.6612 14.4454 14.4454 k = 0.0000 0.0000 0.3291 ( 3854 PWs) bands (ev): -17.1328 -17.1328 -4.0862 -4.0862 -3.7630 -3.7630 -2.2148 -2.2148 -1.9744 -1.9744 -0.7270 -0.7270 -0.4632 -0.4632 2.3627 2.3627 3.6274 3.6274 4.6486 4.6486 5.6008 5.6008 5.9636 5.9636 6.3265 6.3265 6.5986 6.5986 6.8195 6.8195 7.7333 7.7333 7.7496 7.7496 7.9072 7.9072 8.0719 8.0719 8.3503 8.3503 8.4042 8.4042 8.7549 8.7549 9.2826 9.2826 9.3283 9.3283 9.9468 9.9468 10.1748 10.1748 11.8243 11.8243 12.2067 12.2067 13.5711 13.5711 14.4545 14.4545 k = 0.0000 0.0000 0.3464 ( 3856 PWs) bands (ev): -17.1326 -17.1326 -4.0806 -4.0806 -3.7543 -3.7543 -2.2464 -2.2464 -1.9771 -1.9771 -0.7311 -0.7311 -0.4698 -0.4698 2.3788 2.3788 3.6995 3.6995 4.6673 4.6673 5.5629 5.5629 5.8932 5.8932 6.3209 6.3209 6.5836 6.5836 6.8307 6.8307 7.7254 7.7254 7.7709 7.7709 7.8974 7.8974 8.1032 8.1032 8.3551 8.3551 8.4022 8.4022 8.7600 8.7600 9.3048 9.3048 9.3438 9.3438 10.0105 10.0105 10.2262 10.2262 11.7874 11.7874 12.2075 12.2075 13.4769 13.4769 14.4483 14.4483 k = 0.0000 0.0000 0.3638 ( 3856 PWs) bands (ev): -17.1324 -17.1324 -4.0746 -4.0746 -3.7458 -3.7458 -2.2793 -2.2793 -1.9794 -1.9794 -0.7330 -0.7330 -0.4762 -0.4762 2.3943 2.3943 3.7719 3.7719 4.6833 4.6833 5.5275 5.5275 5.8221 5.8221 6.3157 6.3157 6.5694 6.5694 6.8413 6.8413 7.7193 7.7193 7.7898 7.7898 7.8884 7.8884 8.1361 8.1361 8.3600 8.3600 8.4003 8.4003 8.7650 8.7650 9.3188 9.3188 9.3606 9.3606 10.0799 10.0799 10.2784 10.2784 11.7613 11.7613 12.2088 12.2088 13.3817 13.3817 14.4243 14.4243 k = 0.0000 0.0000 0.3811 ( 3852 PWs) bands (ev): -17.1322 -17.1322 -4.0682 -4.0682 -3.7375 -3.7375 -2.3127 -2.3127 -1.9812 -1.9812 -0.7328 -0.7328 -0.4822 -0.4822 2.4090 2.4090 3.8445 3.8445 4.6965 4.6965 5.4946 5.4946 5.7503 5.7503 6.3109 6.3109 6.5561 6.5561 6.8513 6.8513 7.7150 7.7150 7.8066 7.8066 7.8803 7.8803 8.1702 8.1702 8.3648 8.3648 8.3987 8.3987 8.7699 8.7699 9.3266 9.3266 9.3772 9.3772 10.1537 10.1537 10.3312 10.3312 11.7465 11.7465 12.2112 12.2112 13.2874 13.2874 14.3796 14.3796 k = 0.0000 0.0000 0.3984 ( 3852 PWs) bands (ev): -17.1320 -17.1320 -4.0617 -4.0617 -3.7295 -3.7295 -2.3461 -2.3461 -1.9828 -1.9828 -0.7311 -0.7311 -0.4878 -0.4878 2.4229 2.4229 3.9172 3.9172 4.7072 4.7072 5.4642 5.4642 5.6781 5.6781 6.3065 6.3065 6.5436 6.5436 6.8604 6.8604 7.7123 7.7123 7.8214 7.8214 7.8731 7.8731 8.2052 8.2052 8.3694 8.3694 8.3972 8.3972 8.7745 8.7745 9.3302 9.3302 9.3919 9.3919 10.2305 10.2305 10.3839 10.3839 11.7433 11.7433 12.2149 12.2149 13.1952 13.1952 14.3109 14.3109 k = 0.0000 0.0000 0.4157 ( 3850 PWs) bands (ev): -17.1318 -17.1318 -4.0551 -4.0551 -3.7218 -3.7218 -2.3790 -2.3790 -1.9841 -1.9841 -0.7281 -0.7281 -0.4930 -0.4930 2.4359 2.4359 3.9899 3.9899 4.7154 4.7154 5.4364 5.4364 5.6056 5.6056 6.3025 6.3025 6.5322 6.5322 6.8689 6.8689 7.7109 7.7109 7.8344 7.8344 7.8666 7.8666 8.2404 8.2404 8.3741 8.3741 8.3961 8.3961 8.7789 8.7789 9.3307 9.3307 9.4044 9.4044 10.3086 10.3086 10.4360 10.4360 11.7521 11.7521 12.2204 12.2204 13.1060 13.1060 14.2167 14.2167 k = 0.0000 0.0000 0.4331 ( 3852 PWs) bands (ev): -17.1316 -17.1316 -4.0486 -4.0486 -3.7145 -3.7145 -2.4107 -2.4107 -1.9852 -1.9852 -0.7242 -0.7242 -0.4978 -0.4978 2.4478 2.4478 4.0624 4.0624 4.7215 4.7215 5.4112 5.4112 5.5328 5.5328 6.2989 6.2989 6.5218 6.5218 6.8766 6.8766 7.7106 7.7106 7.8456 7.8456 7.8610 7.8610 8.2750 8.2750 8.3788 8.3788 8.3952 8.3952 8.7829 8.7829 9.3288 9.3288 9.4146 9.4146 10.3865 10.3865 10.4868 10.4868 11.7728 11.7728 12.2280 12.2280 13.0202 13.0202 14.0990 14.0990 k = 0.0000 0.0000 0.4504 ( 3848 PWs) bands (ev): -17.1315 -17.1315 -4.0422 -4.0422 -3.7076 -3.7076 -2.4408 -2.4408 -1.9862 -1.9862 -0.7197 -0.7197 -0.5021 -0.5021 2.4586 2.4586 4.1345 4.1345 4.7258 4.7258 5.3885 5.3885 5.4602 5.4602 6.2956 6.2956 6.5125 6.5125 6.8834 6.8834 7.7112 7.7112 7.8532 7.8532 7.8581 7.8581 8.3081 8.3081 8.3839 8.3839 8.3948 8.3948 8.7868 8.7868 9.3248 9.3248 9.4229 9.4229 10.4626 10.4626 10.5356 10.5356 11.8054 11.8054 12.2381 12.2381 12.9383 12.9383 13.9630 13.9630 k = 0.0000 0.0000 0.4677 ( 3852 PWs) bands (ev): -17.1314 -17.1314 -4.0362 -4.0362 -3.7011 -3.7011 -2.4688 -2.4688 -1.9870 -1.9870 -0.7150 -0.7150 -0.5059 -0.5059 2.4683 2.4683 4.2058 4.2058 4.7289 4.7289 5.3685 5.3685 5.3879 5.3879 6.2927 6.2927 6.5043 6.5043 6.8895 6.8895 7.7122 7.7122 7.8506 7.8506 7.8648 7.8648 8.3375 8.3375 8.3904 8.3904 8.3949 8.3949 8.7903 8.7903 9.3192 9.3192 9.4297 9.4297 10.5352 10.5352 10.5818 10.5818 11.8492 11.8492 12.2510 12.2510 12.8607 12.8607 13.8159 13.8159 k = 0.0000 0.0000 0.4850 ( 3852 PWs) bands (ev): -17.1312 -17.1312 -4.0307 -4.0307 -3.6952 -3.6952 -2.4942 -2.4942 -1.9876 -1.9876 -0.7103 -0.7103 -0.5093 -0.5093 2.4768 2.4768 4.2758 4.2758 4.7311 4.7311 5.3165 5.3165 5.3512 5.3512 6.2902 6.2902 6.4972 6.4972 6.8949 6.8949 7.7136 7.7136 7.8471 7.8471 7.8718 7.8718 8.3592 8.3592 8.3946 8.3946 8.4026 8.4026 8.7933 8.7933 9.3125 9.3125 9.4350 9.4350 10.6023 10.6023 10.6248 10.6248 11.9035 11.9035 12.2669 12.2669 12.7877 12.7877 13.6642 13.6642 k = 0.0000 0.0000 0.5024 ( 3856 PWs) bands (ev): -17.1311 -17.1311 -4.0258 -4.0258 -3.6900 -3.6900 -2.5165 -2.5165 -1.9882 -1.9882 -0.7058 -0.7058 -0.5121 -0.5121 2.4840 2.4840 4.3435 4.3435 4.7332 4.7332 5.2466 5.2466 5.3364 5.3364 6.2880 6.2880 6.4912 6.4912 6.8994 6.8994 7.7151 7.7151 7.8440 7.8440 7.8776 7.8776 8.3705 8.3705 8.3955 8.3955 8.4209 8.4209 8.7960 8.7960 9.3053 9.3053 9.4392 9.4392 10.6577 10.6577 10.6683 10.6683 11.9666 11.9666 12.2861 12.2861 12.7193 12.7193 13.5137 13.5137 k = 0.0000 0.0000 0.5197 ( 3850 PWs) bands (ev): -17.1310 -17.1310 -4.0216 -4.0216 -3.6855 -3.6855 -2.5353 -2.5353 -1.9886 -1.9886 -0.7019 -0.7019 -0.5145 -0.5145 2.4899 2.4899 4.4075 4.4075 4.7359 4.7359 5.1793 5.1793 5.3244 5.3244 6.2863 6.2863 6.4864 6.4864 6.9032 6.9032 7.7166 7.7166 7.8415 7.8415 7.8824 7.8824 8.3752 8.3752 8.3965 8.3965 8.4415 8.4415 8.7982 8.7982 9.2982 9.2982 9.4424 9.4424 10.6929 10.6929 10.7185 10.7185 12.0360 12.0360 12.3088 12.3088 12.6559 12.6559 13.3699 13.3699 k = 0.0000 0.0000 0.5370 ( 3850 PWs) bands (ev): -17.1310 -17.1310 -4.0182 -4.0182 -3.6819 -3.6819 -2.5504 -2.5504 -1.9889 -1.9889 -0.6987 -0.6987 -0.5163 -0.5163 2.4946 2.4946 4.4652 4.4652 4.7400 4.7400 5.1166 5.1166 5.3150 5.3150 6.2849 6.2849 6.4826 6.4826 6.9061 6.9061 7.7178 7.7178 7.8395 7.8395 7.8860 7.8860 8.3775 8.3775 8.3975 8.3975 8.4599 8.4599 8.8001 8.8001 9.2918 9.2918 9.4447 9.4447 10.7195 10.7195 10.7610 10.7610 12.1077 12.1077 12.3351 12.3351 12.5977 12.5977 13.2389 13.2389 k = 0.0000 0.0000 0.5543 ( 3846 PWs) bands (ev): -17.1309 -17.1309 -4.0157 -4.0157 -3.6793 -3.6793 -2.5614 -2.5614 -1.9892 -1.9892 -0.6963 -0.6963 -0.5176 -0.5176 2.4979 2.4979 4.5126 4.5126 4.7463 4.7463 5.0621 5.0621 5.3083 5.3083 6.2839 6.2839 6.4799 6.4799 6.9083 6.9083 7.7188 7.7188 7.8381 7.8381 7.8886 7.8886 8.3785 8.3785 8.3984 8.3984 8.4740 8.4740 8.8014 8.8014 9.2866 9.2866 9.4464 9.4464 10.7390 10.7390 10.7927 10.7927 12.1743 12.1743 12.3647 12.3647 12.5451 12.5451 13.1292 13.1292 k = 0.0000 0.0000 0.5716 ( 3842 PWs) bands (ev): -17.1309 -17.1309 -4.0142 -4.0142 -3.6777 -3.6777 -2.5680 -2.5680 -1.9893 -1.9893 -0.6948 -0.6948 -0.5184 -0.5184 2.4999 2.4999 4.5443 4.5443 4.7536 4.7536 5.0225 5.0225 5.3043 5.3043 6.2833 6.2833 6.4783 6.4783 6.9095 6.9095 7.7194 7.7194 7.8373 7.8373 7.8901 7.8901 8.3790 8.3790 8.3990 8.3990 8.4829 8.4829 8.8022 8.8022 9.2834 9.2834 9.4474 9.4474 10.7509 10.7509 10.8122 10.8122 12.2244 12.2244 12.3958 12.3958 12.5000 12.5000 13.0530 13.0530 k = 0.0000 0.0000 0.5890 ( 3850 PWs) bands (ev): -17.1309 -17.1309 -4.0137 -4.0137 -3.6771 -3.6771 -2.5703 -2.5703 -1.9893 -1.9893 -0.6943 -0.6943 -0.5186 -0.5186 2.5006 2.5006 4.5555 4.5555 4.7573 4.7573 5.0075 5.0075 5.3029 5.3029 6.2831 6.2831 6.4778 6.4778 6.9099 6.9099 7.7196 7.7196 7.8370 7.8370 7.8906 7.8906 8.3792 8.3792 8.3991 8.3991 8.4859 8.4859 8.8024 8.8024 9.2822 9.2822 9.4476 9.4476 10.7549 10.7549 10.8187 10.8187 12.2436 12.2436 12.4154 12.4154 12.4758 12.4758 13.0251 13.0251 k = 0.0000 0.0000 0.5890 ( 3850 PWs) bands (ev): -17.1309 -17.1309 -4.0137 -4.0137 -3.6771 -3.6771 -2.5703 -2.5703 -1.9893 -1.9893 -0.6943 -0.6943 -0.5186 -0.5186 2.5006 2.5006 4.5555 4.5555 4.7573 4.7573 5.0075 5.0075 5.3029 5.3029 6.2831 6.2831 6.4778 6.4778 6.9099 6.9099 7.7196 7.7196 7.8370 7.8370 7.8906 7.8906 8.3792 8.3792 8.3991 8.3991 8.4859 8.4859 8.8024 8.8024 9.2822 9.2822 9.4476 9.4476 10.7549 10.7549 10.8187 10.8187 12.2436 12.2436 12.4154 12.4154 12.4758 12.4758 13.0251 13.0251 k =-0.0147 0.0092 0.5890 ( 3838 PWs) bands (ev): -17.1309 -17.1309 -4.0139 -4.0139 -3.6769 -3.6769 -2.5697 -2.5697 -1.9894 -1.9894 -0.6941 -0.6941 -0.5191 -0.5191 2.4943 2.4943 4.5582 4.5582 4.7629 4.7629 5.0068 5.0068 5.3018 5.3018 6.2856 6.2856 6.4780 6.4780 6.9104 6.9104 7.7182 7.7182 7.8380 7.8380 7.8906 7.8906 8.3785 8.3785 8.3988 8.3988 8.4886 8.4886 8.8032 8.8032 9.2831 9.2831 9.4477 9.4477 10.6989 10.6989 10.8764 10.8764 12.2361 12.2361 12.4058 12.4058 12.4849 12.4849 13.0289 13.0289 k =-0.0294 0.0183 0.5890 ( 3852 PWs) bands (ev): -17.1308 -17.1308 -4.0145 -4.0145 -3.6761 -3.6761 -2.5682 -2.5682 -1.9897 -1.9897 -0.6937 -0.6937 -0.5206 -0.5206 2.4754 2.4754 4.5662 4.5662 4.7794 4.7794 5.0045 5.0045 5.2985 5.2985 6.2931 6.2931 6.4787 6.4787 6.9117 6.9117 7.7142 7.7142 7.8408 7.8408 7.8906 7.8906 8.3762 8.3762 8.3973 8.3973 8.4969 8.4969 8.8054 8.8054 9.2856 9.2856 9.4478 9.4478 10.6214 10.6214 10.9587 10.9587 12.2163 12.2163 12.3782 12.3782 12.5093 12.5093 13.0397 13.0397 k =-0.0441 0.0275 0.5890 ( 3850 PWs) bands (ev): -17.1308 -17.1308 -4.0155 -4.0155 -3.6749 -3.6749 -2.5655 -2.5655 -1.9901 -1.9901 -0.6929 -0.6929 -0.5230 -0.5230 2.4447 2.4447 4.5794 4.5794 4.8062 4.8062 5.0009 5.0009 5.2932 5.2932 6.3054 6.3054 6.4799 6.4799 6.9141 6.9141 7.7082 7.7082 7.8445 7.8445 7.8906 7.8906 8.3728 8.3728 8.3948 8.3948 8.5108 8.5108 8.8090 8.8090 9.2898 9.2898 9.4480 9.4480 10.5437 10.5437 11.0443 11.0443 12.1894 12.1894 12.3354 12.3354 12.5441 12.5441 13.0565 13.0565 k =-0.0588 0.0366 0.5890 ( 3848 PWs) bands (ev): -17.1308 -17.1308 -4.0168 -4.0168 -3.6733 -3.6733 -2.5619 -2.5619 -1.9909 -1.9909 -0.6920 -0.6920 -0.5259 -0.5259 2.4031 2.4031 4.5974 4.5974 4.8422 4.8422 4.9959 4.9959 5.2860 5.2860 6.3223 6.3223 6.4816 6.4816 6.9174 6.9174 7.7009 7.7009 7.8484 7.8484 7.8910 7.8910 8.3682 8.3682 8.3910 8.3910 8.5305 8.5305 8.8141 8.8141 9.2956 9.2956 9.4484 9.4484 10.4674 10.4674 11.1318 11.1318 12.1589 12.1589 12.2810 12.2810 12.5855 12.5855 13.0780 13.0780 k =-0.0735 0.0458 0.5890 ( 3844 PWs) bands (ev): -17.1307 -17.1307 -4.0184 -4.0184 -3.6712 -3.6712 -2.5573 -2.5573 -1.9921 -1.9921 -0.6909 -0.6909 -0.5291 -0.5291 2.3518 2.3518 4.6198 4.6198 4.8864 4.8864 4.9900 4.9900 5.2771 5.2771 6.3434 6.3434 6.4836 6.4836 6.9216 6.9216 7.6927 7.6927 7.8515 7.8515 7.8920 7.8920 8.3625 8.3625 8.3859 8.3859 8.5559 8.5559 8.8205 8.8205 9.3029 9.3029 9.4490 9.4490 10.3928 10.3928 11.2207 11.2207 12.1268 12.1268 12.2189 12.2189 12.6315 12.6315 13.1033 13.1033 k =-0.0882 0.0549 0.5890 ( 3846 PWs) bands (ev): -17.1306 -17.1306 -4.0203 -4.0203 -3.6688 -3.6688 -2.5518 -2.5518 -1.9938 -1.9938 -0.6897 -0.6897 -0.5322 -0.5322 2.2920 2.2920 4.6460 4.6460 4.9373 4.9373 4.9835 4.9835 5.2669 5.2669 6.3685 6.3685 6.4858 6.4858 6.9268 6.9268 7.6842 7.6842 7.8530 7.8530 7.8939 7.8939 8.3558 8.3558 8.3794 8.3794 8.5868 8.5868 8.8283 8.8283 9.3117 9.3117 9.4498 9.4498 10.3200 10.3200 11.3110 11.3110 12.0941 12.0941 12.1524 12.1524 12.6811 12.6811 13.1321 13.1321 k =-0.1029 0.0641 0.5890 ( 3848 PWs) bands (ev): -17.1305 -17.1305 -4.0224 -4.0224 -3.6660 -3.6660 -2.5453 -2.5453 -1.9962 -1.9962 -0.6885 -0.6885 -0.5348 -0.5348 2.2251 2.2251 4.6751 4.6751 4.9763 4.9763 4.9944 4.9944 5.2555 5.2555 6.3971 6.3971 6.4884 6.4884 6.9329 6.9329 7.6757 7.6757 7.8526 7.8526 7.8969 7.8969 8.3483 8.3483 8.3716 8.3716 8.6229 8.6229 8.8376 8.8376 9.3217 9.3217 9.4510 9.4510 10.2491 10.2491 11.4024 11.4024 12.0597 12.0597 12.0861 12.0861 12.7335 12.7335 13.1639 13.1639 k =-0.1176 0.0732 0.5890 ( 3848 PWs) bands (ev): -17.1304 -17.1304 -4.0246 -4.0246 -3.6629 -3.6629 -2.5381 -2.5381 -1.9994 -1.9994 -0.6874 -0.6874 -0.5364 -0.5364 2.1522 2.1522 4.7055 4.7055 4.9710 4.9710 5.0549 5.0549 5.2432 5.2432 6.4285 6.4285 6.4914 6.4914 6.9399 6.9399 7.6673 7.6673 7.8504 7.8504 7.9006 7.9006 8.3400 8.3400 8.3627 8.3627 8.6640 8.6640 8.8484 8.8484 9.3329 9.3329 9.4527 9.4527 10.1803 10.1803 11.4948 11.4948 12.0092 12.0092 12.0369 12.0369 12.7885 12.7885 13.1988 13.1988 k =-0.1324 0.0824 0.5890 ( 3856 PWs) bands (ev): -17.1303 -17.1303 -4.0269 -4.0269 -3.6595 -3.6595 -2.5301 -2.5301 -2.0036 -2.0036 -0.6864 -0.6864 -0.5366 -0.5366 2.0744 2.0744 4.7353 4.7353 4.9682 4.9682 5.1189 5.1189 5.2303 5.2303 6.4612 6.4612 6.4958 6.4958 6.9478 6.9478 7.6592 7.6592 7.8464 7.8464 7.9047 7.9047 8.3309 8.3309 8.3527 8.3527 8.7093 8.7093 8.8611 8.8611 9.3450 9.3450 9.4553 9.4553 10.1135 10.1135 11.5880 11.5880 11.9452 11.9452 12.0045 12.0045 12.8457 12.8457 13.2366 13.2366 k =-0.1471 0.0915 0.5890 ( 3852 PWs) bands (ev): -17.1302 -17.1302 -4.0291 -4.0291 -3.6560 -3.6560 -2.5214 -2.5214 -2.0090 -2.0090 -0.6854 -0.6854 -0.5350 -0.5350 1.9928 1.9928 4.7611 4.7611 4.9711 4.9711 5.1852 5.1852 5.2170 5.2170 6.4851 6.4851 6.5114 6.5114 6.9566 6.9566 7.6516 7.6516 7.8410 7.8410 7.9090 7.9090 8.3213 8.3213 8.3421 8.3421 8.7576 8.7576 8.8766 8.8766 9.3575 9.3575 9.4591 9.4591 10.0489 10.0489 11.6820 11.6820 11.8833 11.8833 11.9749 11.9749 12.9051 12.9051 13.2774 13.2774 k =-0.1618 0.1007 0.5890 ( 3848 PWs) bands (ev): -17.1300 -17.1300 -4.0313 -4.0313 -3.6523 -3.6523 -2.5120 -2.5120 -2.0156 -2.0156 -0.6844 -0.6844 -0.5313 -0.5313 1.9080 1.9080 4.7791 4.7791 4.9831 4.9831 5.2035 5.2035 5.2529 5.2529 6.4913 6.4913 6.5463 6.5463 6.9664 6.9664 7.6443 7.6443 7.8344 7.8344 7.9133 7.9133 8.3107 8.3107 8.3309 8.3309 8.8060 8.8060 8.8975 8.8975 9.3699 9.3699 9.4650 9.4650 9.9866 9.9866 11.7764 11.7764 11.8260 11.8260 11.9471 11.9471 12.9663 12.9663 13.3212 13.3212 k =-0.1765 0.1099 0.5890 ( 3836 PWs) bands (ev): -17.1299 -17.1299 -4.0333 -4.0333 -3.6486 -3.6486 -2.5021 -2.5021 -2.0236 -2.0236 -0.6831 -0.6831 -0.5255 -0.5255 1.8210 1.8210 4.7866 4.7866 5.0063 5.0063 5.1901 5.1901 5.3212 5.3212 6.4929 6.4929 6.5869 6.5869 6.9769 6.9769 7.6375 7.6375 7.8266 7.8266 7.9175 7.9175 8.2994 8.2994 8.3197 8.3197 8.8483 8.8483 8.9296 8.9296 9.3812 9.3812 9.4737 9.4737 9.9266 9.9266 11.7744 11.7744 11.8699 11.8699 11.9221 11.9221 13.0293 13.0293 13.3677 13.3677 k =-0.1912 0.1190 0.5890 ( 3840 PWs) bands (ev): -17.1297 -17.1297 -4.0351 -4.0351 -3.6448 -3.6448 -2.4917 -2.4917 -2.0330 -2.0330 -0.6813 -0.6813 -0.5175 -0.5175 1.7323 1.7323 4.7843 4.7843 5.0396 5.0396 5.1769 5.1769 5.3894 5.3894 6.4930 6.4930 6.6295 6.6295 6.9883 6.9883 7.6311 7.6311 7.8177 7.8177 7.9215 7.9215 8.2872 8.2872 8.3085 8.3085 8.8790 8.8790 8.9779 8.9779 9.3906 9.3906 9.4863 9.4863 9.8688 9.8688 11.7293 11.7293 11.8930 11.8930 11.9693 11.9693 13.0937 13.0937 13.4169 13.4169 k =-0.2059 0.1282 0.5890 ( 3834 PWs) bands (ev): -17.1295 -17.1295 -4.0367 -4.0367 -3.6410 -3.6410 -2.4809 -2.4809 -2.0439 -2.0439 -0.6787 -0.6787 -0.5074 -0.5074 1.6426 1.6426 4.7749 4.7749 5.0796 5.0796 5.1645 5.1645 5.4571 5.4571 6.4917 6.4917 6.6736 6.6736 7.0006 7.0006 7.6252 7.6252 7.8078 7.8078 7.9254 7.9254 8.2743 8.2743 8.2977 8.2977 8.9016 8.9016 9.0385 9.0385 9.3979 9.3979 9.5034 9.5034 9.8135 9.8135 11.6911 11.6911 11.8705 11.8705 12.0639 12.0639 13.1592 13.1592 13.4686 13.4686 k =-0.2206 0.1373 0.5890 ( 3834 PWs) bands (ev): -17.1294 -17.1294 -4.0380 -4.0380 -3.6372 -3.6372 -2.4697 -2.4697 -2.0562 -2.0562 -0.6749 -0.6749 -0.4952 -0.4952 1.5523 1.5523 4.7607 4.7607 5.1201 5.1201 5.1565 5.1565 5.5237 5.5237 6.4891 6.4891 6.7186 6.7186 7.0136 7.0136 7.6196 7.6196 7.7970 7.7970 7.9290 7.9290 8.2609 8.2609 8.2873 8.2873 8.9211 8.9211 9.1058 9.1058 9.4031 9.4031 9.5251 9.5251 9.7607 9.7607 11.6601 11.6601 11.8490 11.8490 12.1591 12.1591 13.2252 13.2252 13.5226 13.5226 k =-0.2353 0.1465 0.5890 ( 3834 PWs) bands (ev): -17.1292 -17.1292 -4.0390 -4.0390 -3.6335 -3.6335 -2.4584 -2.4584 -2.0699 -2.0699 -0.6697 -0.6697 -0.4813 -0.4813 1.4620 1.4620 4.7435 4.7435 5.1310 5.1310 5.1811 5.1811 5.5889 5.5889 6.4848 6.4848 6.7641 6.7641 7.0274 7.0274 7.6143 7.6143 7.7851 7.7851 7.9324 7.9324 8.2472 8.2472 8.2772 8.2772 8.9397 8.9397 9.1769 9.1769 9.4068 9.4068 9.5511 9.5511 9.7104 9.7104 11.6363 11.6363 11.8293 11.8293 12.2540 12.2540 13.2912 13.2912 13.5786 13.5786 k =-0.2500 0.1556 0.5890 ( 3834 PWs) bands (ev): -17.1290 -17.1290 -4.0396 -4.0396 -3.6300 -3.6300 -2.4469 -2.4469 -2.0847 -2.0847 -0.6629 -0.6629 -0.4656 -0.4656 1.3719 1.3719 4.7242 4.7242 5.1215 5.1215 5.2277 5.2277 5.6522 5.6522 6.4789 6.4789 6.8097 6.8097 7.0420 7.0420 7.6093 7.6093 7.7724 7.7724 7.9355 7.9355 8.2338 8.2338 8.2675 8.2675 8.9583 8.9583 9.2499 9.2499 9.4103 9.4103 9.5811 9.5811 9.6626 9.6626 11.6197 11.6197 11.8116 11.8116 12.3484 12.3484 13.3561 13.3561 13.6358 13.6358 k =-0.2647 0.1648 0.5890 ( 3834 PWs) bands (ev): -17.1289 -17.1289 -4.0399 -4.0399 -3.6266 -3.6266 -2.4354 -2.4354 -2.1006 -2.1006 -0.6544 -0.6544 -0.4485 -0.4485 1.2826 1.2826 4.7037 4.7037 5.1105 5.1105 5.2767 5.2767 5.7134 5.7134 6.4712 6.4712 6.8551 6.8551 7.0573 7.0573 7.6045 7.6045 7.7589 7.7589 7.9385 7.9385 8.2208 8.2208 8.2580 8.2580 8.9771 8.9771 9.3210 9.3210 9.4165 9.4165 9.6139 9.6139 9.6185 9.6185 11.6099 11.6099 11.7961 11.7961 12.4419 12.4419 13.4187 13.4187 13.6660 13.6660 k =-0.2794 0.1739 0.5890 ( 3824 PWs) bands (ev): -17.1287 -17.1287 -4.0398 -4.0398 -3.6235 -3.6235 -2.4239 -2.4239 -2.1173 -2.1173 -0.6440 -0.6440 -0.4302 -0.4302 1.1942 1.1942 4.6823 4.6823 5.0997 5.0997 5.3258 5.3258 5.7722 5.7722 6.4617 6.4617 6.8999 6.8999 7.0732 7.0732 7.5999 7.5999 7.7445 7.7445 7.9412 7.9412 8.2086 8.2086 8.2490 8.2490 8.9963 8.9963 9.3744 9.3744 9.4407 9.4407 9.5753 9.5753 9.6521 9.6521 11.6066 11.6066 11.7831 11.7831 12.5342 12.5342 13.4772 13.4772 13.6320 13.6320 k =-0.2941 0.1831 0.5890 ( 3820 PWs) bands (ev): -17.1285 -17.1285 -4.0395 -4.0395 -3.6205 -3.6205 -2.4127 -2.4127 -2.1346 -2.1346 -0.6317 -0.6317 -0.4109 -0.4109 1.1072 1.1072 4.6604 4.6604 5.0893 5.0893 5.3742 5.3742 5.8283 5.8283 6.4503 6.4503 6.9438 6.9438 7.0898 7.0898 7.5956 7.5956 7.7295 7.7295 7.9437 7.9437 8.1972 8.1972 8.2402 8.2402 9.0160 9.0160 9.3907 9.3907 9.4994 9.4994 9.5385 9.5385 9.6924 9.6924 11.6093 11.6093 11.7727 11.7727 12.6248 12.6248 13.5291 13.5291 13.5956 13.5956 k =-0.3088 0.1922 0.5890 ( 3812 PWs) bands (ev): -17.1284 -17.1284 -4.0388 -4.0388 -3.6178 -3.6178 -2.4018 -2.4018 -2.1520 -2.1520 -0.6175 -0.6175 -0.3908 -0.3908 1.0219 1.0219 4.6384 4.6384 5.0794 5.0794 5.4215 5.4215 5.8815 5.8815 6.4370 6.4370 6.9864 6.9864 7.1071 7.1071 7.5912 7.5912 7.7140 7.7140 7.9461 7.9461 8.1869 8.1869 8.2317 8.2317 9.0362 9.0362 9.3933 9.3933 9.4956 9.4956 9.5798 9.5798 9.7358 9.7358 11.6174 11.6174 11.7653 11.7653 12.7134 12.7134 13.5578 13.5578 13.5714 13.5714 k =-0.3235 0.2014 0.5890 ( 3818 PWs) bands (ev): -17.1282 -17.1282 -4.0378 -4.0378 -3.6153 -3.6153 -2.3914 -2.3914 -2.1694 -2.1694 -0.6016 -0.6016 -0.3701 -0.3701 0.9385 0.9385 4.6166 4.6166 5.0702 5.0702 5.4672 5.4672 5.9317 5.9317 6.4220 6.4220 7.0273 7.0273 7.1248 7.1248 7.5869 7.5869 7.6978 7.6978 7.9481 7.9481 8.1775 8.1775 8.2236 8.2236 9.0567 9.0567 9.3927 9.3927 9.4621 9.4621 9.6552 9.6552 9.7817 9.7817 11.6303 11.6303 11.7611 11.7611 12.7995 12.7995 13.5191 13.5191 13.6001 13.6001 k =-0.3382 0.2106 0.5890 ( 3820 PWs) bands (ev): -17.1281 -17.1281 -4.0365 -4.0365 -3.6131 -3.6131 -2.3816 -2.3816 -2.1864 -2.1864 -0.5839 -0.5839 -0.3491 -0.3491 0.8574 0.8574 4.5953 4.5953 5.0617 5.0617 5.5112 5.5112 5.9786 5.9786 6.4055 6.4055 7.0661 7.0661 7.1431 7.1431 7.5827 7.5827 7.6813 7.6813 7.9500 7.9500 8.1692 8.1692 8.2159 8.2159 9.0775 9.0775 9.3904 9.3904 9.4310 9.4310 9.7304 9.7304 9.8298 9.8298 11.6471 11.6471 11.7603 11.7603 12.8826 12.8826 13.4794 13.4794 13.6114 13.6114 k =-0.3529 0.2197 0.5890 ( 3816 PWs) bands (ev): -17.1279 -17.1279 -4.0351 -4.0351 -3.6112 -3.6112 -2.3726 -2.3726 -2.2026 -2.2026 -0.5647 -0.5647 -0.3281 -0.3281 0.7790 0.7790 4.5747 4.5747 5.0538 5.0538 5.5532 5.5532 6.0220 6.0220 6.3877 6.3877 7.1025 7.1025 7.1620 7.1620 7.5784 7.5784 7.6645 7.6645 7.9516 7.9516 8.1622 8.1622 8.2087 8.2087 9.0984 9.0984 9.3862 9.3862 9.4035 9.4035 9.8035 9.8035 9.8793 9.8793 11.6671 11.6671 11.7633 11.7633 12.9621 12.9621 13.4392 13.4392 13.6025 13.6025 k =-0.3676 0.2289 0.5890 ( 3816 PWs) bands (ev): -17.1278 -17.1278 -4.0336 -4.0336 -3.6095 -3.6095 -2.3646 -2.3646 -2.2177 -2.2177 -0.5443 -0.5443 -0.3071 -0.3071 0.7036 0.7036 4.5551 4.5551 5.0466 5.0466 5.5930 5.5930 6.0618 6.0618 6.3689 6.3689 7.1359 7.1359 7.1815 7.1815 7.5739 7.5739 7.6479 7.6479 7.9531 7.9531 8.1561 8.1561 8.2019 8.2019 9.1194 9.1194 9.3726 9.3726 9.3874 9.3874 9.8732 9.8732 9.9297 9.9297 11.6892 11.6892 11.7703 11.7703 13.0373 13.0373 13.3991 13.3991 13.5735 13.5735 k =-0.3824 0.2380 0.5890 ( 3822 PWs) bands (ev): -17.1277 -17.1277 -4.0319 -4.0319 -3.6080 -3.6080 -2.3579 -2.3579 -2.2312 -2.2312 -0.5229 -0.5229 -0.2865 -0.2865 0.6316 0.6316 4.5367 4.5367 5.0402 5.0402 5.6304 5.6304 6.0978 6.0978 6.3495 6.3495 7.1659 7.1659 7.2015 7.2015 7.5690 7.5690 7.6317 7.6317 7.9544 7.9544 8.1511 8.1511 8.1955 8.1955 9.1401 9.1401 9.3508 9.3508 9.3816 9.3816 9.9383 9.9383 9.9800 9.9800 11.7125 11.7125 11.7814 11.7814 13.1075 13.1075 13.3598 13.3598 13.5273 13.5273 k =-0.3971 0.2472 0.5890 ( 3822 PWs) bands (ev): -17.1276 -17.1276 -4.0303 -4.0303 -3.6068 -3.6068 -2.3527 -2.3527 -2.2427 -2.2427 -0.5012 -0.5012 -0.2664 -0.2664 0.5636 0.5636 4.5198 4.5198 5.0345 5.0345 5.6652 5.6652 6.1299 6.1299 6.3301 6.3301 7.1922 7.1922 7.2221 7.2221 7.5634 7.5634 7.6167 7.6167 7.9556 7.9556 8.1470 8.1470 8.1898 8.1898 9.1603 9.1603 9.3308 9.3308 9.3762 9.3762 9.9976 9.9976 10.0294 10.0294 11.7360 11.7360 11.7963 11.7963 13.1721 13.1721 13.3222 13.3222 13.4691 13.4691 k =-0.4118 0.2563 0.5890 ( 3824 PWs) bands (ev): -17.1275 -17.1275 -4.0287 -4.0287 -3.6058 -3.6058 -2.3492 -2.3492 -2.2521 -2.2521 -0.4796 -0.4796 -0.2470 -0.2470 0.5003 0.5003 4.5046 4.5046 5.0295 5.0295 5.6970 5.6970 6.1577 6.1577 6.3111 6.3111 7.2148 7.2148 7.2425 7.2425 7.5564 7.5564 7.6036 7.6036 7.9566 7.9566 8.1436 8.1436 8.1846 8.1846 9.1796 9.1796 9.3135 9.3135 9.3704 9.3704 10.0501 10.0501 10.0768 10.0768 11.7589 11.7589 11.8143 11.8143 13.2301 13.2301 13.2871 13.2871 13.4047 13.4047 k =-0.4265 0.2655 0.5890 ( 3824 PWs) bands (ev): -17.1274 -17.1274 -4.0272 -4.0272 -3.6050 -3.6050 -2.3473 -2.3473 -2.2591 -2.2591 -0.4590 -0.4590 -0.2284 -0.2284 0.4425 0.4425 4.4914 4.4914 5.0253 5.0253 5.7256 5.7256 6.1809 6.1809 6.2935 6.2935 7.2342 7.2342 7.2618 7.2618 7.5478 7.5478 7.5933 7.5933 7.9576 7.9576 8.1410 8.1410 8.1801 8.1801 9.1977 9.1977 9.2993 9.2993 9.3640 9.3640 10.0954 10.0954 10.1205 10.1205 11.7807 11.7807 11.8339 11.8339 13.2551 13.2551 13.2812 13.2812 13.3397 13.3397 k =-0.4412 0.2746 0.5890 ( 3822 PWs) bands (ev): -17.1273 -17.1273 -4.0258 -4.0258 -3.6044 -3.6044 -2.3469 -2.3469 -2.2638 -2.2638 -0.4403 -0.4403 -0.2111 -0.2111 0.3913 0.3913 4.4803 4.4803 5.0218 5.0218 5.7503 5.7503 6.1992 6.1992 6.2783 6.2783 7.2507 7.2507 7.2789 7.2789 7.5378 7.5378 7.5861 7.5861 7.9583 7.9583 8.1389 8.1389 8.1764 8.1764 9.2137 9.2137 9.2885 9.2885 9.3572 9.3572 10.1332 10.1332 10.1586 10.1586 11.8010 11.8010 11.8534 11.8534 13.2279 13.2279 13.2777 13.2777 13.3248 13.3248 k =-0.4559 0.2838 0.5890 ( 3826 PWs) bands (ev): -17.1273 -17.1273 -4.0248 -4.0248 -3.6040 -3.6040 -2.3474 -2.3474 -2.2667 -2.2667 -0.4244 -0.4244 -0.1956 -0.1956 0.3483 0.3483 4.4714 4.4714 5.0191 5.0191 5.7706 5.7706 6.2118 6.2118 6.2669 6.2669 7.2644 7.2644 7.2931 7.2931 7.5275 7.5275 7.5813 7.5813 7.9590 7.9590 8.1375 8.1375 8.1734 8.1734 9.2268 9.2268 9.2816 9.2816 9.3501 9.3501 10.1635 10.1635 10.1897 10.1897 11.8187 11.8187 11.8709 11.8709 13.2057 13.2057 13.2253 13.2253 13.3587 13.3587 k =-0.4706 0.2929 0.5890 ( 3834 PWs) bands (ev): -17.1272 -17.1272 -4.0240 -4.0240 -3.6037 -3.6037 -2.3483 -2.3483 -2.2683 -2.2683 -0.4122 -0.4122 -0.1830 -0.1830 0.3152 0.3152 4.4650 4.4650 5.0172 5.0172 5.7858 5.7858 6.2179 6.2179 6.2607 6.2607 7.2746 7.2746 7.3038 7.3038 7.5185 7.5185 7.5784 7.5784 7.9594 7.9594 8.1364 8.1364 8.1712 8.1712 9.2355 9.2355 9.2792 9.2792 9.3433 9.3433 10.1855 10.1855 10.2125 10.2125 11.8327 11.8327 11.8849 11.8849 13.1841 13.1841 13.1897 13.1897 13.3836 13.3836 k =-0.4853 0.3021 0.5890 ( 3834 PWs) bands (ev): -17.1272 -17.1272 -4.0235 -4.0235 -3.6035 -3.6035 -2.3491 -2.3491 -2.2690 -2.2690 -0.4045 -0.4045 -0.1746 -0.1746 0.2942 0.2942 4.4612 4.4612 5.0161 5.0161 5.7953 5.7953 6.2193 6.2193 6.2590 6.2590 7.2811 7.2811 7.3106 7.3106 7.5125 7.5125 7.5767 7.5767 7.9596 7.9596 8.1358 8.1358 8.1698 8.1698 9.2396 9.2396 9.2803 9.2803 9.3380 9.3380 10.1990 10.1990 10.2265 10.2265 11.8418 11.8418 11.8939 11.8939 13.1586 13.1586 13.1795 13.1795 13.3988 13.3988 k =-0.5000 0.3113 0.5890 ( 3820 PWs) bands (ev): -17.1272 -17.1272 -4.0233 -4.0233 -3.6034 -3.6034 -2.3494 -2.3494 -2.2692 -2.2692 -0.4019 -0.4019 -0.1716 -0.1716 0.2870 0.2870 4.4599 4.4599 5.0157 5.0157 5.7986 5.7986 6.2192 6.2192 6.2591 6.2591 7.2833 7.2833 7.3130 7.3130 7.5104 7.5104 7.5762 7.5762 7.9598 7.9598 8.1356 8.1356 8.1695 8.1695 9.2406 9.2406 9.2813 9.2813 9.3359 9.3359 10.2035 10.2035 10.2312 10.2312 11.8449 11.8449 11.8970 11.8970 13.1497 13.1497 13.1761 13.1761 13.4039 13.4039 k =-0.5000 0.3113 0.5890 ( 3820 PWs) bands (ev): -17.1272 -17.1272 -4.0233 -4.0233 -3.6034 -3.6034 -2.3494 -2.3494 -2.2692 -2.2692 -0.4019 -0.4019 -0.1716 -0.1716 0.2870 0.2870 4.4599 4.4599 5.0157 5.0157 5.7986 5.7986 6.2192 6.2192 6.2591 6.2591 7.2833 7.2833 7.3130 7.3130 7.5104 7.5104 7.5762 7.5762 7.9598 7.9598 8.1356 8.1356 8.1695 8.1695 9.2406 9.2406 9.2813 9.2813 9.3359 9.3359 10.2035 10.2035 10.2312 10.2312 11.8449 11.8449 11.8970 11.8970 13.1497 13.1497 13.1761 13.1761 13.4039 13.4039 k =-0.4896 0.3048 0.5767 ( 3838 PWs) bands (ev): -17.1272 -17.1272 -4.0235 -4.0235 -3.6035 -3.6035 -2.3491 -2.3491 -2.2690 -2.2690 -0.4045 -0.4045 -0.1746 -0.1746 0.2943 0.2943 4.4612 4.4612 5.0161 5.0161 5.7953 5.7953 6.2192 6.2192 6.2591 6.2591 7.2810 7.2810 7.3107 7.3107 7.5125 7.5125 7.5767 7.5767 7.9596 7.9596 8.1358 8.1358 8.1697 8.1697 9.2397 9.2397 9.2801 9.2801 9.3380 9.3380 10.1980 10.1980 10.2274 10.2274 11.8417 11.8417 11.8939 11.8939 13.1586 13.1586 13.1795 13.1795 13.3988 13.3988 k =-0.4792 0.2983 0.5644 ( 3840 PWs) bands (ev): -17.1272 -17.1272 -4.0240 -4.0240 -3.6037 -3.6037 -2.3482 -2.3482 -2.2684 -2.2684 -0.4124 -0.4124 -0.1827 -0.1827 0.3152 0.3152 4.4651 4.4651 5.0172 5.0172 5.7859 5.7859 6.2174 6.2174 6.2612 6.2612 7.2739 7.2739 7.3046 7.3046 7.5185 7.5185 7.5783 7.5783 7.9593 7.9593 8.1364 8.1364 8.1711 8.1711 9.2370 9.2370 9.2769 9.2769 9.3440 9.3440 10.1742 10.1742 10.2240 10.2240 11.8321 11.8321 11.8851 11.8851 13.1841 13.1841 13.1899 13.1899 13.3835 13.3835 k =-0.4688 0.2918 0.5522 ( 3828 PWs) bands (ev): -17.1273 -17.1273 -4.0248 -4.0248 -3.6040 -3.6040 -2.3466 -2.3466 -2.2674 -2.2674 -0.4254 -0.4254 -0.1942 -0.1942 0.3478 0.3478 4.4715 4.4715 5.0192 5.0192 5.7708 5.7708 6.2098 6.2098 6.2688 6.2688 7.2616 7.2616 7.2965 7.2965 7.5269 7.5269 7.5811 7.5811 7.9589 7.9589 8.1374 8.1374 8.1733 8.1733 9.2329 9.2329 9.2724 9.2724 9.3528 9.3528 10.1291 10.1291 10.2251 10.2251 11.8160 11.8160 11.8719 11.8719 13.2062 13.2062 13.2252 13.2252 13.3582 13.3582 k =-0.4583 0.2853 0.5399 ( 3816 PWs) bands (ev): -17.1273 -17.1273 -4.0260 -4.0260 -3.6045 -3.6045 -2.3443 -2.3443 -2.2659 -2.2659 -0.4431 -0.4431 -0.2071 -0.2071 0.3898 0.3898 4.4804 4.4804 5.0219 5.0219 5.7510 5.7510 6.1951 6.1951 6.2823 6.2823 7.2443 7.2443 7.2874 7.2874 7.5362 7.5362 7.5854 7.5854 7.9584 7.9584 8.1389 8.1389 8.1764 8.1764 9.2277 9.2277 9.2670 9.2670 9.3637 9.3637 10.0667 10.0667 10.2288 10.2288 11.7939 11.7939 11.8554 11.8554 13.2292 13.2292 13.2774 13.2774 13.3236 13.3236 k =-0.4479 0.2788 0.5276 ( 3812 PWs) bands (ev): -17.1274 -17.1274 -4.0275 -4.0275 -3.6051 -3.6051 -2.3414 -2.3414 -2.2640 -2.2640 -0.4651 -0.4651 -0.2201 -0.2201 0.4392 0.4392 4.4916 4.4916 5.0255 5.0255 5.7273 5.7273 6.1742 6.1742 6.2999 6.2999 7.2232 7.2232 7.2772 7.2772 7.5451 7.5451 7.5914 7.5914 7.9575 7.9575 8.1407 8.1407 8.1802 8.1802 9.2215 9.2215 9.2610 9.2610 9.3759 9.3759 9.9902 9.9902 10.2341 10.2341 11.7669 11.7669 11.8364 11.8364 13.2522 13.2522 13.2854 13.2854 13.3389 13.3389 k =-0.4375 0.2723 0.5153 ( 3820 PWs) bands (ev): -17.1275 -17.1275 -4.0293 -4.0293 -3.6060 -3.6060 -2.3377 -2.3377 -2.2615 -2.2615 -0.4903 -0.4903 -0.2324 -0.2324 0.4943 0.4943 4.5049 4.5049 5.0300 5.0300 5.7005 5.7005 6.1482 6.1482 6.3202 6.3202 7.1994 7.1994 7.2657 7.2657 7.5525 7.5525 7.5993 7.5993 7.9565 7.9565 8.1428 8.1428 8.1845 8.1845 9.2146 9.2146 9.2545 9.2545 9.3890 9.3890 9.9026 9.9026 10.2407 10.2407 11.7363 11.7363 11.8150 11.8150 13.2169 13.2169 13.3031 13.3031 13.4056 13.4056 k =-0.4271 0.2659 0.5031 ( 3820 PWs) bands (ev): -17.1276 -17.1276 -4.0315 -4.0315 -3.6072 -3.6072 -2.3332 -2.3332 -2.2585 -2.2585 -0.5179 -0.5179 -0.2440 -0.2440 0.5540 0.5540 4.5201 4.5201 5.0353 5.0353 5.6711 5.6711 6.1176 6.1176 6.3423 6.3423 7.1738 7.1738 7.2528 7.2528 7.5584 7.5584 7.6087 7.6087 7.9552 7.9552 8.1455 8.1455 8.1896 8.1896 9.2070 9.2070 9.2475 9.2475 9.4029 9.4029 9.8064 9.8064 10.2483 10.2483 11.7037 11.7037 11.7915 11.7915 13.1539 13.1539 13.3459 13.3459 13.4756 13.4756 k =-0.4167 0.2594 0.4908 ( 3820 PWs) bands (ev): -17.1277 -17.1277 -4.0339 -4.0339 -3.6086 -3.6086 -2.3279 -2.3279 -2.2549 -2.2549 -0.5470 -0.5470 -0.2547 -0.2547 0.6173 0.6173 4.5369 4.5369 5.0416 5.0416 5.6397 5.6397 6.0828 6.0828 6.3653 6.3653 7.1469 7.1469 7.2384 7.2384 7.5629 7.5629 7.6190 7.6190 7.9537 7.9537 8.1485 8.1485 8.1953 8.1953 9.1986 9.1986 9.2402 9.2402 9.4172 9.4172 9.7044 9.7044 10.2566 10.2566 11.6700 11.6700 11.7661 11.7661 13.0808 13.0808 13.3964 13.3964 13.5466 13.5466 k =-0.4062 0.2529 0.4785 ( 3816 PWs) bands (ev): -17.1278 -17.1278 -4.0366 -4.0366 -3.6104 -3.6104 -2.3216 -2.3216 -2.2507 -2.2507 -0.5769 -0.5769 -0.2649 -0.2649 0.6835 0.6835 4.5551 4.5551 5.0489 5.0489 5.6065 5.6065 6.0443 6.0443 6.3888 6.3888 7.1191 7.1191 7.2227 7.2227 7.5663 7.5663 7.6296 7.6296 7.9521 7.9521 8.1519 8.1519 8.2015 8.2015 9.1892 9.1892 9.2325 9.2325 9.4315 9.4315 9.5990 9.5990 10.2653 10.2653 11.6363 11.6363 11.7394 11.7394 12.9990 12.9990 13.4538 13.4538 13.6169 13.6169 k =-0.3958 0.2464 0.4663 ( 3818 PWs) bands (ev): -17.1280 -17.1280 -4.0397 -4.0397 -3.6126 -3.6126 -2.3144 -2.3144 -2.2459 -2.2459 -0.6069 -0.6069 -0.2746 -0.2746 0.7519 0.7519 4.5741 4.5741 5.0572 5.0572 5.5719 5.5719 6.0024 6.0024 6.4124 6.4124 7.0908 7.0908 7.2056 7.2056 7.5689 7.5689 7.6400 7.6400 7.9505 7.9505 8.1557 8.1557 8.2081 8.2081 9.1785 9.1785 9.2242 9.2242 9.4440 9.4440 9.4944 9.4944 10.2739 10.2739 11.6032 11.6032 11.7120 11.7120 12.9091 12.9091 13.5179 13.5179 13.6846 13.6846 k =-0.3854 0.2399 0.4540 ( 3811 PWs) bands (ev): -17.1281 -17.1281 -4.0429 -4.0429 -3.6153 -3.6153 -2.3062 -2.3062 -2.2405 -2.2405 -0.6366 -0.6366 -0.2840 -0.2840 0.8222 0.8222 4.5935 4.5935 5.0666 5.0666 5.5360 5.5360 5.9579 5.9579 6.4359 6.4359 7.0623 7.0623 7.1874 7.1874 7.5709 7.5709 7.6499 7.6499 7.9488 7.9488 8.1596 8.1596 8.2151 8.2151 9.1664 9.1664 9.2141 9.2141 9.3846 9.3846 9.4639 9.4639 10.2819 10.2819 11.5715 11.5715 11.6847 11.6847 12.8118 12.8118 13.5884 13.5884 13.7479 13.7479 k =-0.3750 0.2334 0.4417 ( 3813 PWs) bands (ev): -17.1283 -17.1283 -4.0464 -4.0464 -3.6183 -3.6183 -2.2969 -2.2969 -2.2345 -2.2345 -0.6655 -0.6655 -0.2931 -0.2931 0.8938 0.8938 4.6127 4.6127 5.0771 5.0771 5.4990 5.4990 5.9113 5.9113 6.4590 6.4590 7.0337 7.0337 7.1681 7.1681 7.5723 7.5723 7.6590 7.6590 7.9470 7.9470 8.1638 8.1638 8.2224 8.2224 9.1509 9.1509 9.1967 9.1967 9.2918 9.2918 9.4772 9.4772 10.2885 10.2885 11.5416 11.5416 11.6585 11.6585 12.7077 12.7077 13.6652 13.6652 13.8042 13.8042 k =-0.3646 0.2270 0.4295 ( 3817 PWs) bands (ev): -17.1285 -17.1285 -4.0501 -4.0501 -3.6219 -3.6219 -2.2864 -2.2864 -2.2280 -2.2280 -0.6934 -0.6934 -0.3021 -0.3021 0.9663 0.9663 4.6308 4.6308 5.0888 5.0888 5.4611 5.4611 5.8633 5.8633 6.4815 6.4815 7.0053 7.0053 7.1478 7.1478 7.5733 7.5733 7.6674 7.6674 7.9453 7.9453 8.1681 8.1681 8.2298 8.2298 9.1175 9.1175 9.1599 9.1599 9.2370 9.2370 9.4910 9.4910 10.2930 10.2930 11.5142 11.5142 11.6346 11.6346 12.5976 12.5976 13.7480 13.7480 13.8498 13.8498 k =-0.3542 0.2205 0.4172 ( 3815 PWs) bands (ev): -17.1287 -17.1287 -4.0540 -4.0540 -3.6260 -3.6260 -2.2748 -2.2748 -2.2209 -2.2209 -0.7200 -0.7200 -0.3108 -0.3108 1.0394 1.0394 4.6469 4.6469 5.1017 5.1017 5.4222 5.4222 5.8150 5.8150 6.5034 6.5034 6.9771 6.9771 7.1266 7.1266 7.5739 7.5739 7.6748 7.6748 7.9437 7.9437 8.1723 8.1723 8.2375 8.2375 9.0377 9.0377 9.1357 9.1357 9.2186 9.2186 9.5045 9.5045 10.2944 10.2944 11.4895 11.4895 11.6143 11.6143 12.4822 12.4822 13.8362 13.8362 13.8803 13.8803 k =-0.3438 0.2140 0.4049 ( 3813 PWs) bands (ev): -17.1289 -17.1289 -4.0581 -4.0581 -3.6307 -3.6307 -2.2620 -2.2620 -2.2133 -2.2133 -0.7450 -0.7450 -0.3193 -0.3193 1.1126 1.1126 4.6598 4.6598 5.1159 5.1159 5.3827 5.3827 5.7676 5.7676 6.5245 6.5245 6.9494 6.9494 7.1048 7.1048 7.5744 7.5744 7.6812 7.6812 7.9423 7.9423 8.1763 8.1763 8.2454 8.2454 8.9453 8.9453 9.1187 9.1187 9.2090 9.2090 9.5175 9.5175 10.2917 10.2917 11.4680 11.4680 11.5988 11.5988 12.3621 12.3621 13.8873 13.8873 13.9333 13.9333 k =-0.3333 0.2075 0.3926 ( 3825 PWs) bands (ev): -17.1291 -17.1291 -4.0623 -4.0623 -3.6358 -3.6358 -2.2481 -2.2481 -2.2053 -2.2053 -0.7684 -0.7684 -0.3276 -0.3276 1.1855 1.1855 4.6680 4.6680 5.1312 5.1312 5.3426 5.3426 5.7227 5.7227 6.5447 6.5447 6.9221 6.9221 7.0823 7.0823 7.5747 7.5747 7.6866 7.6866 7.9411 7.9411 8.1800 8.1800 8.2533 8.2533 8.8544 8.8544 9.1023 9.1023 9.2015 9.2015 9.5298 9.5298 10.2841 10.2841 11.4501 11.4501 11.5895 11.5895 12.2382 12.2382 13.8765 13.8765 14.0311 14.0311 k =-0.3229 0.2010 0.3804 ( 3831 PWs) bands (ev): -17.1293 -17.1293 -4.0665 -4.0665 -3.6416 -3.6416 -2.2331 -2.2331 -2.1969 -2.1969 -0.7898 -0.7898 -0.3357 -0.3357 1.2578 1.2578 4.6698 4.6698 5.1473 5.1473 5.3023 5.3023 5.6821 5.6821 6.5641 6.5641 6.8955 6.8955 7.0593 7.0593 7.5750 7.5750 7.6910 7.6910 7.9404 7.9404 8.1831 8.1831 8.2614 8.2614 8.7679 8.7679 9.0859 9.0859 9.1947 9.1947 9.5413 9.5413 10.2707 10.2707 11.4358 11.4358 11.5876 11.5876 12.1111 12.1111 13.8477 13.8477 14.0988 14.0988 k =-0.3125 0.1945 0.3681 ( 3835 PWs) bands (ev): -17.1296 -17.1296 -4.0709 -4.0709 -3.6479 -3.6479 -2.2171 -2.2171 -2.1880 -2.1880 -0.8092 -0.8092 -0.3434 -0.3434 1.3290 1.3290 4.6632 4.6632 5.1633 5.1633 5.2632 5.2632 5.6478 5.6478 6.5825 6.5825 6.8696 6.8696 7.0360 7.0360 7.5755 7.5755 7.6944 7.6944 7.9401 7.9401 8.1852 8.1852 8.2694 8.2694 8.6871 8.6871 9.0691 9.0691 9.1880 9.1880 9.5521 9.5521 10.2510 10.2510 11.4256 11.4256 11.5939 11.5939 11.9816 11.9816 13.8071 13.8071 14.0947 14.0947 k =-0.3021 0.1880 0.3558 ( 3845 PWs) bands (ev): -17.1298 -17.1298 -4.0752 -4.0752 -3.6547 -3.6547 -2.2004 -2.2004 -2.1787 -2.1787 -0.8263 -0.8263 -0.3507 -0.3507 1.3989 1.3989 4.6465 4.6465 5.1728 5.1728 5.2316 5.2316 5.6220 5.6220 6.6001 6.6001 6.8445 6.8445 7.0124 7.0124 7.5764 7.5764 7.6967 7.6967 7.9404 7.9404 8.1861 8.1861 8.2774 8.2774 8.6129 8.6129 9.0521 9.0521 9.1811 9.1811 9.5620 9.5620 10.2248 10.2248 11.4195 11.4195 11.6090 11.6090 11.8505 11.8505 13.7595 13.7595 14.0905 14.0905 k =-0.2917 0.1816 0.3436 ( 3839 PWs) bands (ev): -17.1301 -17.1301 -4.0795 -4.0795 -3.6620 -3.6620 -2.1834 -2.1834 -2.1687 -2.1687 -0.8410 -0.8410 -0.3576 -0.3576 1.4670 1.4670 4.6181 4.6181 5.1551 5.1551 5.2282 5.2282 5.6063 5.6063 6.6167 6.6167 6.8203 6.8203 6.9887 6.9887 7.5779 7.5779 7.6978 7.6978 7.9413 7.9413 8.1852 8.1852 8.2855 8.2855 8.5458 8.5458 9.0348 9.0348 9.1739 9.1739 9.5711 9.5711 10.1923 10.1923 11.4178 11.4178 11.6326 11.6326 11.7187 11.7187 13.7082 13.7082 14.0898 14.0898 k =-0.2812 0.1751 0.3313 ( 3845 PWs) bands (ev): -17.1303 -17.1303 -4.0838 -4.0838 -3.6698 -3.6698 -2.1677 -2.1677 -2.1566 -2.1566 -0.8531 -0.8531 -0.3640 -0.3640 1.5330 1.5330 4.5775 4.5775 5.1174 5.1174 5.2463 5.2463 5.6015 5.6015 6.6324 6.6324 6.7970 6.7970 6.9650 6.9650 7.5803 7.5803 7.6978 7.6978 7.9429 7.9429 8.1816 8.1816 8.2935 8.2935 8.4864 8.4864 9.0173 9.0173 9.1661 9.1661 9.5793 9.5793 10.1537 10.1537 11.4206 11.4206 11.5840 11.5840 11.6674 11.6674 13.6553 13.6553 14.0931 14.0931 k =-0.2708 0.1686 0.3190 ( 3849 PWs) bands (ev): -17.1306 -17.1306 -4.0880 -4.0880 -3.6781 -3.6781 -2.1554 -2.1554 -2.1406 -2.1406 -0.8624 -0.8624 -0.3699 -0.3699 1.5966 1.5966 4.5249 4.5249 5.0750 5.0750 5.2706 5.2706 5.6078 5.6078 6.6471 6.6471 6.7745 6.7745 6.9413 6.9413 7.5837 7.5837 7.6965 7.6965 7.9454 7.9454 8.1746 8.1746 8.3014 8.3014 8.4357 8.4357 8.9997 8.9997 9.1577 9.1577 9.5866 9.5866 10.1099 10.1099 11.4279 11.4279 11.4523 11.4523 11.7079 11.7079 13.6020 13.6020 14.1005 14.1005 k =-0.2604 0.1621 0.3068 ( 3849 PWs) bands (ev): -17.1309 -17.1309 -4.0920 -4.0920 -3.6868 -3.6868 -2.1451 -2.1451 -2.1223 -2.1223 -0.8687 -0.8687 -0.3752 -0.3752 1.6573 1.6573 4.4612 4.4612 5.0311 5.0311 5.2982 5.2982 5.6247 5.6247 6.6610 6.6610 6.7531 6.7531 6.9178 6.9178 7.5883 7.5883 7.6940 7.6940 7.9487 7.9487 8.1630 8.1630 8.3092 8.3092 8.3943 8.3943 8.9821 8.9821 9.1486 9.1486 9.5931 9.5931 10.0616 10.0616 11.3206 11.3206 11.4404 11.4404 11.7565 11.7565 13.5492 13.5492 14.1119 14.1119 k =-0.2500 0.1556 0.2945 ( 3847 PWs) bands (ev): -17.1311 -17.1311 -4.0958 -4.0958 -3.6960 -3.6960 -2.1355 -2.1355 -2.1033 -2.1033 -0.8720 -0.8720 -0.3800 -0.3800 1.7151 1.7151 4.3880 4.3880 4.9864 4.9864 5.3283 5.3283 5.6511 5.6511 6.6739 6.6739 6.7328 6.7328 6.8946 6.8946 7.5943 7.5943 7.6903 7.6903 7.9528 7.9528 8.1462 8.1462 8.3165 8.3165 8.3629 8.3629 8.9645 8.9645 9.1385 9.1385 9.5987 9.5987 10.0095 10.0095 11.1905 11.1905 11.4574 11.4574 11.8118 11.8118 13.4975 13.4975 14.1275 14.1275 k =-0.2396 0.1491 0.2822 ( 3847 PWs) bands (ev): -17.1314 -17.1314 -4.0994 -4.0994 -3.7055 -3.7055 -2.1263 -2.1263 -2.0842 -2.0842 -0.8720 -0.8720 -0.3840 -0.3840 1.7695 1.7695 4.3068 4.3068 4.9414 4.9414 5.3609 5.3609 5.6858 5.6858 6.6855 6.6855 6.7140 6.7140 6.8717 6.8717 7.6019 7.6019 7.6851 7.6851 7.9579 7.9579 8.1246 8.1246 8.3223 8.3223 8.3418 8.3418 8.9469 8.9469 9.1274 9.1274 9.6036 9.6036 9.9546 9.9546 11.0625 11.0625 11.4793 11.4793 11.8732 11.8732 13.4472 13.4472 14.1471 14.1471 k =-0.2292 0.1427 0.2699 ( 3831 PWs) bands (ev): -17.1317 -17.1317 -4.1027 -4.1027 -3.7153 -3.7153 -2.1174 -2.1174 -2.0654 -2.0654 -0.8687 -0.8687 -0.3874 -0.3874 1.8204 1.8204 4.2193 4.2193 4.8963 4.8963 5.3957 5.3957 5.7277 5.7277 6.6892 6.6892 6.7033 6.7033 6.8492 6.8492 7.6111 7.6111 7.6787 7.6787 7.9640 7.9640 8.0995 8.0995 8.3190 8.3190 8.3370 8.3370 8.9294 8.9294 9.1151 9.1151 9.6076 9.6076 9.8976 9.8976 10.9373 10.9373 11.5060 11.5060 11.9396 11.9396 13.3987 13.3987 14.1707 14.1707 k =-0.2188 0.1362 0.2577 ( 3841 PWs) bands (ev): -17.1320 -17.1320 -4.1057 -4.1057 -3.7255 -3.7255 -2.1088 -2.1088 -2.0472 -2.0472 -0.8618 -0.8618 -0.3901 -0.3901 1.8677 1.8677 4.1268 4.1268 4.8512 4.8512 5.4329 5.4329 5.7757 5.7757 6.6748 6.6748 6.7110 6.7110 6.8272 6.8272 7.6211 7.6211 7.6714 7.6714 7.9709 7.9709 8.0725 8.0725 8.3099 8.3099 8.3427 8.3427 8.9120 8.9120 9.1015 9.1015 9.6108 9.6108 9.8392 9.8392 10.8155 10.8155 11.5373 11.5373 12.0104 12.0104 13.3520 13.3520 14.1982 14.1982 k =-0.2083 0.1297 0.2454 ( 3837 PWs) bands (ev): -17.1322 -17.1322 -4.1084 -4.1084 -3.7359 -3.7359 -2.1006 -2.1006 -2.0297 -2.0297 -0.8515 -0.8515 -0.3922 -0.3922 1.9111 1.9111 4.0307 4.0307 4.8064 4.8064 5.4724 5.4724 5.8289 5.8289 6.6587 6.6587 6.7207 6.7207 6.8059 6.8059 7.6302 7.6302 7.6653 7.6653 7.9786 7.9786 8.0453 8.0453 8.3026 8.3026 8.3498 8.3498 8.8948 8.8948 9.0864 9.0864 9.6132 9.6132 9.7803 9.7803 10.6978 10.6978 11.5729 11.5729 12.0848 12.0848 13.3076 13.3076 14.2295 14.2295 k =-0.1979 0.1232 0.2331 ( 3841 PWs) bands (ev): -17.1325 -17.1325 -4.1107 -4.1107 -3.7464 -3.7464 -2.0927 -2.0927 -2.0131 -2.0131 -0.8376 -0.8376 -0.3935 -0.3935 1.9507 1.9507 3.9321 3.9321 4.7620 4.7620 5.5143 5.5143 5.8864 5.8864 6.6431 6.6431 6.7299 6.7299 6.7854 6.7854 7.6311 7.6311 7.6674 7.6674 7.9865 7.9865 8.0192 8.0192 8.2969 8.2969 8.3570 8.3570 8.8779 8.8779 9.0698 9.0698 9.6141 9.6141 9.7218 9.7218 10.5847 10.5847 11.6126 11.6126 12.1621 12.1621 13.2655 13.2655 14.2645 14.2645 k =-0.1875 0.1167 0.2209 ( 3847 PWs) bands (ev): -17.1328 -17.1328 -4.1126 -4.1126 -3.7572 -3.7572 -2.0853 -2.0853 -1.9976 -1.9976 -0.8203 -0.8203 -0.3942 -0.3942 1.9865 1.9865 3.8321 3.8321 4.7182 4.7182 5.5584 5.5584 5.9475 5.9475 6.6284 6.6284 6.7381 6.7381 6.7661 6.7661 7.6208 7.6208 7.6802 7.6802 7.9858 7.9858 8.0038 8.0038 8.2925 8.2925 8.3642 8.3642 8.8612 8.8612 9.0516 9.0516 9.6107 9.6107 9.6672 9.6672 10.4768 10.4768 11.6559 11.6559 12.2417 12.2417 13.2260 13.2260 14.3031 14.3031 k =-0.1771 0.1102 0.2086 ( 3851 PWs) bands (ev): -17.1330 -17.1330 -4.1141 -4.1141 -3.7681 -3.7681 -2.0783 -2.0783 -1.9833 -1.9833 -0.7996 -0.7996 -0.3942 -0.3942 2.0184 2.0184 3.7315 3.7315 4.6752 4.6752 5.6049 5.6049 6.0114 6.0114 6.6145 6.6145 6.7399 6.7399 6.7534 6.7534 7.6046 7.6046 7.6983 7.6983 7.9647 7.9647 8.0112 8.0112 8.2887 8.2887 8.3714 8.3714 8.8448 8.8448 9.0316 9.0316 9.5855 9.5855 9.6346 9.6346 10.3749 10.3749 11.7021 11.7021 12.3228 12.3228 13.1894 13.1894 14.3450 14.3450 k =-0.1667 0.1038 0.1963 ( 3853 PWs) bands (ev): -17.1333 -17.1333 -4.1152 -4.1152 -3.7790 -3.7790 -2.0717 -2.0717 -1.9702 -1.9702 -0.7758 -0.7758 -0.3937 -0.3937 2.0465 2.0465 3.6313 3.6313 4.6333 4.6333 5.6537 5.6537 6.0775 6.0775 6.6017 6.6017 6.7251 6.7251 6.7575 6.7575 7.5845 7.5845 7.7190 7.7190 7.9423 7.9423 8.0223 8.0223 8.2853 8.2853 8.3785 8.3785 8.8287 8.8287 9.0100 9.0100 9.5343 9.5343 9.6285 9.6285 10.2794 10.2794 11.7504 11.7504 12.4050 12.4050 13.1561 13.1561 14.3899 14.3899 k =-0.1562 0.0973 0.1841 ( 3855 PWs) bands (ev): -17.1335 -17.1335 -4.1159 -4.1159 -3.7899 -3.7899 -2.0657 -2.0657 -1.9584 -1.9584 -0.7491 -0.7491 -0.3925 -0.3925 2.0709 2.0709 3.5322 3.5322 4.5925 4.5925 5.7047 5.7047 6.1448 6.1448 6.5897 6.5897 6.7080 6.7080 6.7644 6.7644 7.5609 7.5609 7.7410 7.7410 7.9219 7.9219 8.0347 8.0347 8.2820 8.2820 8.3856 8.3856 8.8130 8.8130 8.9866 8.9866 9.4789 9.4789 9.6274 9.6274 10.1908 10.1908 11.7999 11.7999 12.4876 12.4876 13.1265 13.1265 14.4375 14.4376 k =-0.1458 0.0908 0.1718 ( 3847 PWs) bands (ev): -17.1338 -17.1338 -4.1161 -4.1161 -3.8008 -3.8008 -2.0602 -2.0602 -1.9478 -1.9478 -0.7200 -0.7200 -0.3909 -0.3909 2.0917 2.0917 3.4351 3.4351 4.5532 4.5532 5.7580 5.7580 6.2128 6.2128 6.5786 6.5786 6.6915 6.6915 6.7711 6.7711 7.5338 7.5338 7.7625 7.7625 7.9052 7.9052 8.0480 8.0480 8.2789 8.2789 8.3927 8.3927 8.7977 8.7977 8.9618 8.9618 9.4240 9.4240 9.6273 9.6273 10.1095 10.1095 11.8492 11.8492 12.5702 12.5702 13.1015 13.1015 14.4742 14.4742 k =-0.1354 0.0843 0.1595 ( 3845 PWs) bands (ev): -17.1340 -17.1340 -4.1159 -4.1159 -3.8116 -3.8116 -2.0552 -2.0552 -1.9383 -1.9383 -0.6887 -0.6887 -0.3889 -0.3889 2.1091 2.1091 3.3406 3.3406 4.5155 4.5155 5.8135 5.8135 6.2804 6.2804 6.5685 6.5685 6.6758 6.6758 6.7775 6.7775 7.5029 7.5029 7.7803 7.7803 7.8953 7.8953 8.0619 8.0619 8.2759 8.2759 8.3996 8.3996 8.7827 8.7827 8.9357 8.9357 9.3705 9.3705 9.6272 9.6272 10.0357 10.0357 11.8969 11.8969 12.6523 12.6523 13.0818 13.0818 14.4013 14.4013 k =-0.1250 0.0778 0.1472 ( 3843 PWs) bands (ev): -17.1342 -17.1342 -4.1154 -4.1154 -3.8222 -3.8222 -2.0507 -2.0507 -1.9300 -1.9300 -0.6558 -0.6558 -0.3865 -0.3865 2.1232 2.1232 3.2496 3.2496 4.4796 4.4796 5.8710 5.8710 6.3471 6.3471 6.5591 6.5591 6.6611 6.6611 6.7835 6.7835 7.4682 7.4682 7.7890 7.7890 7.8972 7.8972 8.0764 8.0764 8.2731 8.2731 8.4065 8.4065 8.7682 8.7682 8.9088 8.9088 9.3190 9.3190 9.6271 9.6271 9.9694 9.9694 11.9412 11.9412 12.7332 12.7332 13.0687 13.0687 14.3206 14.3206 k =-0.1146 0.0713 0.1350 ( 3831 PWs) bands (ev): -17.1344 -17.1344 -4.1144 -4.1144 -3.8325 -3.8325 -2.0466 -2.0466 -1.9228 -1.9228 -0.6218 -0.6218 -0.3838 -0.3838 2.1342 2.1342 3.1628 3.1628 4.4457 4.4457 5.9305 5.9305 6.4120 6.4120 6.5507 6.5507 6.6474 6.6474 6.7891 6.7891 7.4294 7.4294 7.7863 7.7863 7.9131 7.9131 8.0914 8.0914 8.2705 8.2705 8.4132 8.4132 8.7541 8.7541 8.8817 8.8817 9.2698 9.2698 9.6271 9.6271 9.9106 9.9106 11.9802 11.9802 12.8124 12.8124 13.0635 13.0635 14.2371 14.2371 k =-0.1042 0.0648 0.1227 ( 3831 PWs) bands (ev): -17.1346 -17.1346 -4.1132 -4.1132 -3.8424 -3.8424 -2.0431 -2.0431 -1.9165 -1.9165 -0.5873 -0.5873 -0.3809 -0.3809 2.1421 2.1421 3.0810 3.0810 4.4140 4.4140 5.9919 5.9919 6.4741 6.4741 6.5431 6.5431 6.6348 6.6348 6.7943 6.7943 7.3866 7.3866 7.7760 7.7760 7.9386 7.9386 8.1066 8.1066 8.2679 8.2679 8.4196 8.4196 8.7403 8.7403 8.8548 8.8548 9.2232 9.2232 9.6268 9.6268 9.8590 9.8590 12.0122 12.0122 12.8892 12.8892 13.0673 13.0673 14.1533 14.1533 k =-0.0938 0.0584 0.1104 ( 3827 PWs) bands (ev): -17.1348 -17.1348 -4.1116 -4.1116 -3.8520 -3.8520 -2.0400 -2.0400 -1.9111 -1.9111 -0.5529 -0.5529 -0.3779 -0.3779 2.1473 2.1473 3.0049 3.0049 4.3846 4.3846 6.0548 6.0548 6.5316 6.5316 6.5375 6.5375 6.6234 6.6234 6.7991 6.7991 7.3397 7.3397 7.7626 7.7626 7.9689 7.9689 8.1218 8.1218 8.2657 8.2657 8.4259 8.4259 8.7270 8.7270 8.8289 8.8289 9.1796 9.1796 9.6266 9.6266 9.8143 9.8143 12.0357 12.0357 12.9627 12.9627 13.0814 13.0814 14.0717 14.0717 k =-0.0833 0.0519 0.0982 ( 3831 PWs) bands (ev): -17.1350 -17.1350 -4.1099 -4.1099 -3.8610 -3.8610 -2.0373 -2.0373 -1.9065 -1.9065 -0.5194 -0.5194 -0.3749 -0.3749 2.1498 2.1498 2.9354 2.9354 4.3579 4.3579 6.1190 6.1190 6.5302 6.5302 6.5868 6.5868 6.6138 6.6138 6.8036 6.8036 7.2892 7.2892 7.7482 7.7482 8.0010 8.0010 8.1369 8.1369 8.2638 8.2638 8.4319 8.4319 8.7141 8.7141 8.8047 8.8047 9.1392 9.1392 9.6263 9.6263 9.7759 9.7759 12.0502 12.0502 13.0314 13.0314 13.1067 13.1067 13.9943 13.9943 k =-0.0729 0.0454 0.0859 ( 3829 PWs) bands (ev): -17.1351 -17.1351 -4.1080 -4.1080 -3.8694 -3.8694 -2.0350 -2.0350 -1.9026 -1.9026 -0.4875 -0.4875 -0.3719 -0.3719 2.1501 2.1501 2.8731 2.8731 4.3339 4.3339 6.1841 6.1841 6.5253 6.5253 6.6026 6.6026 6.6384 6.6384 6.8078 6.8078 7.2353 7.2353 7.7340 7.7340 8.0331 8.0331 8.1515 8.1515 8.2623 8.2623 8.4376 8.4376 8.7017 8.7017 8.7827 8.7827 9.1023 9.1023 9.6259 9.6259 9.7436 9.7436 12.0561 12.0561 13.0926 13.0926 13.1442 13.1442 13.9226 13.9226 k =-0.0625 0.0389 0.0736 ( 3835 PWs) bands (ev): -17.1352 -17.1352 -4.1060 -4.1060 -3.8770 -3.8770 -2.0331 -2.0331 -1.8994 -1.8994 -0.4580 -0.4580 -0.3690 -0.3690 2.1483 2.1483 2.8186 2.8186 4.3127 4.3127 6.2496 6.2496 6.5213 6.5213 6.5950 6.5950 6.6819 6.6819 6.8118 6.8118 7.1786 7.1786 7.7206 7.7206 8.0637 8.0637 8.1656 8.1656 8.2614 8.2614 8.4429 8.4429 8.6898 8.6898 8.7633 8.7633 9.0693 9.0693 9.6253 9.6253 9.7167 9.7167 12.0547 12.0547 13.1448 13.1448 13.1926 13.1926 13.8577 13.8577 k =-0.0521 0.0324 0.0614 ( 3835 PWs) bands (ev): -17.1353 -17.1353 -4.1041 -4.1041 -3.8837 -3.8837 -2.0316 -2.0316 -1.8968 -1.8968 -0.4316 -0.4316 -0.3662 -0.3662 2.1451 2.1451 2.7724 2.7724 4.2946 4.2946 6.3145 6.3145 6.5185 6.5185 6.5883 6.5883 6.7193 6.7193 6.8161 6.8161 7.1201 7.1201 7.7085 7.7085 8.0914 8.0914 8.1787 8.1787 8.2611 8.2611 8.4478 8.4478 8.6786 8.6786 8.7470 8.7470 9.0405 9.0405 9.6248 9.6248 9.6950 9.6950 12.0479 12.0479 13.1918 13.1918 13.2446 13.2446 13.8003 13.8003 k =-0.0417 0.0259 0.0491 ( 3835 PWs) bands (ev): -17.1354 -17.1354 -4.1024 -4.1024 -3.8895 -3.8895 -2.0303 -2.0303 -1.8947 -1.8947 -0.4092 -0.4092 -0.3634 -0.3634 2.1410 2.1410 2.7346 2.7346 4.2796 4.2796 6.3770 6.3770 6.5177 6.5177 6.5827 6.5827 6.7494 6.7494 6.8208 6.8208 7.0611 7.0611 7.6981 7.6981 8.1150 8.1150 8.1908 8.1908 8.2615 8.2615 8.4521 8.4521 8.6685 8.6685 8.7338 8.7338 9.0163 9.0163 9.6240 9.6240 9.6780 9.6780 12.0382 12.0382 13.2357 13.2357 13.2937 13.2937 13.7507 13.7507 k =-0.0312 0.0195 0.0368 ( 3835 PWs) bands (ev): -17.1355 -17.1355 -4.1009 -4.1009 -3.8941 -3.8941 -2.0294 -2.0294 -1.8932 -1.8932 -0.3918 -0.3918 -0.3604 -0.3604 2.1367 2.1367 2.7055 2.7055 4.2678 4.2678 6.4328 6.4328 6.5210 6.5210 6.5783 6.5783 6.7712 6.7712 6.8265 6.8265 7.0038 7.0038 7.6895 7.6895 8.1335 8.1335 8.2014 8.2014 8.2623 8.2623 8.4557 8.4557 8.6600 8.6600 8.7237 8.7237 8.9969 8.9969 9.6231 9.6231 9.6654 9.6654 12.0278 12.0278 13.2751 13.2751 13.3365 13.3365 13.7092 13.7092 k =-0.0208 0.0130 0.0245 ( 3823 PWs) bands (ev): -17.1355 -17.1355 -4.0997 -4.0997 -3.8975 -3.8975 -2.0287 -2.0287 -1.8920 -1.8920 -0.3801 -0.3801 -0.3570 -0.3570 2.1330 2.1330 2.6848 2.6848 4.2593 4.2593 6.4716 6.4716 6.5352 6.5352 6.5752 6.5752 6.7847 6.7847 6.8329 6.8329 6.9521 6.9521 7.6833 7.6833 8.1464 8.1464 8.2099 8.2099 8.2633 8.2633 8.4584 8.4584 8.6535 8.6535 8.7165 8.7165 8.9830 8.9830 9.6222 9.6222 9.6570 9.6570 12.0187 12.0187 13.3068 13.3068 13.3704 13.3704 13.6768 13.6768 k =-0.0104 0.0065 0.0123 ( 3831 PWs) bands (ev): -17.1356 -17.1356 -4.0990 -4.0990 -3.8995 -3.8995 -2.0283 -2.0283 -1.8914 -1.8914 -0.3742 -0.3742 -0.3538 -0.3538 2.1304 2.1304 2.6725 2.6725 4.2542 4.2542 6.4862 6.4862 6.5601 6.5601 6.5733 6.5733 6.7913 6.7913 6.8382 6.8382 6.9133 6.9133 7.6794 7.6794 8.1539 8.1539 8.2154 8.2154 8.2641 8.2641 8.4601 8.4601 8.6493 8.6493 8.7122 8.7122 8.9744 8.9744 9.6214 9.6214 9.6522 9.6522 12.0126 12.0126 13.3275 13.3275 13.3929 13.3929 13.6554 13.6554 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -17.1356 -17.1356 -4.0987 -4.0987 -3.9002 -3.9002 -2.0282 -2.0282 -1.8912 -1.8912 -0.3724 -0.3724 -0.3524 -0.3524 2.1295 2.1295 2.6684 2.6684 4.2525 4.2525 6.4892 6.4892 6.5716 6.5716 6.5735 6.5735 6.7932 6.7932 6.8402 6.8402 6.8982 6.8982 7.6779 7.6779 8.1563 8.1563 8.2174 8.2174 8.2645 8.2645 8.4607 8.4607 8.6478 8.6478 8.7107 8.7107 8.9715 8.9715 9.6211 9.6211 9.6507 9.6507 12.0105 12.0105 13.3348 13.3348 13.4010 13.4010 13.6477 13.6477 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -17.1356 -17.1356 -4.0987 -4.0987 -3.9002 -3.9002 -2.0282 -2.0282 -1.8912 -1.8912 -0.3724 -0.3724 -0.3524 -0.3524 2.1295 2.1295 2.6684 2.6684 4.2525 4.2525 6.4892 6.4892 6.5716 6.5716 6.5735 6.5735 6.7932 6.7932 6.8402 6.8402 6.8982 6.8982 7.6779 7.6779 8.1563 8.1563 8.2174 8.2174 8.2645 8.2645 8.4607 8.4607 8.6478 8.6478 8.7107 8.7107 8.9715 8.9715 9.6211 9.6211 9.6507 9.6507 12.0105 12.0105 13.3348 13.3348 13.4010 13.4010 13.6477 13.6477 k = 0.0091 0.0145-0.0000 ( 3831 PWs) bands (ev): -17.1356 -17.1356 -4.1056 -4.1056 -3.8938 -3.8938 -2.0264 -2.0264 -1.8910 -1.8910 -0.3731 -0.3731 -0.3532 -0.3532 2.1274 2.1274 2.6697 2.6697 4.2534 4.2534 6.4852 6.4852 6.5724 6.5724 6.5746 6.5746 6.7942 6.7942 6.8407 6.8407 6.8983 6.8983 7.6793 7.6793 8.1565 8.1565 8.2136 8.2136 8.2615 8.2615 8.4601 8.4601 8.6543 8.6543 8.7164 8.7164 8.9714 8.9714 9.6232 9.6232 9.6473 9.6473 12.0120 12.0120 13.3323 13.3323 13.3983 13.3983 13.6514 13.6514 k = 0.0181 0.0291-0.0000 ( 3823 PWs) bands (ev): -17.1355 -17.1355 -4.1241 -4.1241 -3.8766 -3.8766 -2.0212 -2.0212 -1.8906 -1.8906 -0.3751 -0.3751 -0.3557 -0.3557 2.1211 2.1211 2.6735 2.6735 4.2561 4.2561 6.4734 6.4734 6.5747 6.5747 6.5777 6.5777 6.7971 6.7971 6.8422 6.8422 6.8988 6.8988 7.6831 7.6831 8.1571 8.1571 8.2029 8.2029 8.2535 8.2535 8.4584 8.4584 8.6729 8.6729 8.7327 8.7327 8.9711 8.9711 9.6295 9.6295 9.6371 9.6371 12.0167 12.0167 13.3247 13.3247 13.3905 13.3905 13.6624 13.6624 k = 0.0272 0.0436-0.0000 ( 3815 PWs) bands (ev): -17.1354 -17.1354 -4.1499 -4.1499 -3.8530 -3.8530 -2.0125 -2.0125 -1.8900 -1.8900 -0.3784 -0.3784 -0.3598 -0.3598 2.1106 2.1106 2.6799 2.6799 4.2606 4.2606 6.4540 6.4540 6.5784 6.5784 6.5826 6.5826 6.8021 6.8021 6.8448 6.8448 6.8996 6.8996 7.6893 7.6893 8.1572 8.1572 8.1870 8.1870 8.2424 8.2424 8.4557 8.4557 8.7016 8.7016 8.7580 8.7580 8.9708 8.9708 9.6207 9.6207 9.6401 9.6401 12.0245 12.0245 13.3124 13.3124 13.3776 13.3776 13.6799 13.6799 k = 0.0362 0.0582-0.0000 ( 3827 PWs) bands (ev): -17.1353 -17.1353 -4.1797 -4.1797 -3.8262 -3.8262 -2.0003 -2.0003 -1.8891 -1.8891 -0.3830 -0.3830 -0.3655 -0.3655 2.0960 2.0960 2.6887 2.6887 4.2668 4.2668 6.4272 6.4272 6.5831 6.5831 6.5890 6.5890 6.8091 6.8091 6.8485 6.8485 6.9008 6.9008 7.6978 7.6978 8.1551 8.1551 8.1677 8.1677 8.2312 8.2312 8.4523 8.4523 8.7384 8.7384 8.7902 8.7902 8.9707 8.9707 9.5986 9.5986 9.6551 9.6551 12.0354 12.0354 13.2954 13.2954 13.3599 13.3599 13.7030 13.7030 k = 0.0453 0.0727-0.0000 ( 3827 PWs) bands (ev): -17.1352 -17.1352 -4.2117 -4.2117 -3.7980 -3.7980 -1.9849 -1.9849 -1.8881 -1.8881 -0.3888 -0.3888 -0.3726 -0.3726 2.0774 2.0774 2.7000 2.7000 4.2748 4.2748 6.3937 6.3937 6.5887 6.5887 6.5967 6.5967 6.8183 6.8183 6.8535 6.8535 6.9025 6.9025 7.7083 7.7083 8.1469 8.1469 8.1491 8.1491 8.2232 8.2232 8.4483 8.4483 8.7816 8.7816 8.8270 8.8270 8.9719 8.9719 9.5717 9.5717 9.6746 9.6746 12.0494 12.0494 13.2741 13.2741 13.3377 13.3377 13.7306 13.7306 k = 0.0543 0.0873-0.0000 ( 3835 PWs) bands (ev): -17.1350 -17.1350 -4.2447 -4.2447 -3.7695 -3.7695 -1.9664 -1.9664 -1.8869 -1.8869 -0.3957 -0.3957 -0.3811 -0.3811 2.0551 2.0551 2.7136 2.7136 4.2846 4.2846 6.3537 6.3537 6.5948 6.5948 6.6053 6.6053 6.8296 6.8296 6.8597 6.8597 6.9047 6.9047 7.7207 7.7207 8.1259 8.1259 8.1384 8.1384 8.2198 8.2198 8.4436 8.4436 8.8300 8.8300 8.8648 8.8648 8.9767 8.9767 9.5408 9.5408 9.6987 9.6987 12.0666 12.0666 13.2489 13.2489 13.3114 13.3114 13.7613 13.7613 k = 0.0634 0.1018-0.0000 ( 3835 PWs) bands (ev): -17.1348 -17.1348 -4.2779 -4.2779 -3.7415 -3.7415 -1.9449 -1.9449 -1.8856 -1.8856 -0.4036 -0.4036 -0.3907 -0.3907 2.0291 2.0291 2.7294 2.7294 4.2962 4.2962 6.3078 6.3078 6.6010 6.6010 6.6143 6.6143 6.8431 6.8431 6.8675 6.8675 6.9075 6.9075 7.7347 7.7347 8.1058 8.1058 8.1246 8.1246 8.2204 8.2204 8.4383 8.4383 8.8826 8.8826 8.8967 8.8967 8.9913 8.9913 9.5070 9.5070 9.7276 9.7276 12.0870 12.0870 13.2203 13.2203 13.2813 13.2813 13.7940 13.7940 k = 0.0725 0.1164-0.0000 ( 3835 PWs) bands (ev): -17.1346 -17.1346 -4.3110 -4.3110 -3.7143 -3.7143 -1.9206 -1.9206 -1.8843 -1.8843 -0.4124 -0.4124 -0.4013 -0.4013 1.9996 1.9996 2.7474 2.7474 4.3095 4.3095 6.2567 6.2567 6.6071 6.6071 6.6233 6.6233 6.8587 6.8587 6.8769 6.8769 6.9112 6.9112 7.7502 7.7502 8.0874 8.0874 8.1097 8.1097 8.2230 8.2230 8.4324 8.4324 8.9142 8.9142 8.9386 8.9386 9.0231 9.0231 9.4713 9.4713 9.7614 9.7614 12.1106 12.1106 13.1886 13.1886 13.2481 13.2481 13.8278 13.8278 k = 0.0815 0.1309-0.0000 ( 3831 PWs) bands (ev): -17.1344 -17.1344 -4.3434 -4.3434 -3.6882 -3.6882 -1.8938 -1.8938 -1.8831 -1.8831 -0.4220 -0.4220 -0.4128 -0.4128 1.9669 1.9669 2.7674 2.7674 4.3245 4.3245 6.2008 6.2008 6.6127 6.6127 6.6318 6.6318 6.8761 6.8761 6.8880 6.8880 6.9158 6.9158 7.7668 7.7668 8.0714 8.0714 8.0956 8.0956 8.2261 8.2261 8.4259 8.4259 8.9194 8.9194 8.9975 8.9975 9.0698 9.0698 9.4346 9.4346 9.8002 9.8002 12.1374 12.1374 13.1544 13.1544 13.2122 13.2122 13.8619 13.8619 k = 0.0906 0.1455-0.0000 ( 3831 PWs) bands (ev): -17.1341 -17.1341 -4.3750 -4.3750 -3.6634 -3.6634 -1.8821 -1.8821 -1.8647 -1.8647 -0.4322 -0.4322 -0.4250 -0.4250 1.9313 1.9313 2.7891 2.7891 4.3412 4.3412 6.1410 6.1410 6.6175 6.6175 6.6394 6.6394 6.8947 6.8947 6.9010 6.9010 6.9218 6.9218 7.7845 7.7845 8.0581 8.0581 8.0833 8.0833 8.2289 8.2289 8.4187 8.4187 8.9185 8.9185 9.0588 9.0588 9.1248 9.1248 9.3979 9.3979 9.8439 9.8439 12.1675 12.1675 13.1182 13.1182 13.1741 13.1741 13.8959 13.8959 k = 0.0996 0.1600-0.0000 ( 3839 PWs) bands (ev): -17.1338 -17.1338 -4.4056 -4.4056 -3.6400 -3.6400 -1.8813 -1.8813 -1.8336 -1.8336 -0.4430 -0.4430 -0.4375 -0.4375 1.8929 1.8929 2.8125 2.8125 4.3596 4.3596 6.0779 6.0779 6.6215 6.6215 6.6455 6.6455 6.9128 6.9128 6.9157 6.9157 6.9307 6.9307 7.8031 7.8031 8.0479 8.0479 8.0734 8.0734 8.2308 8.2308 8.4110 8.4110 8.9146 8.9146 9.1218 9.1218 9.1847 9.1847 9.3622 9.3622 9.8925 9.8925 12.2010 12.2010 13.0805 13.0805 13.1343 13.1343 13.9294 13.9294 k = 0.1087 0.1746-0.0000 ( 3843 PWs) bands (ev): -17.1335 -17.1335 -4.4349 -4.4349 -3.6180 -3.6180 -1.8809 -1.8809 -1.8008 -1.8008 -0.4541 -0.4541 -0.4503 -0.4503 1.8519 1.8519 2.8373 2.8373 4.3797 4.3797 6.0124 6.0124 6.6245 6.6245 6.6500 6.6500 6.9264 6.9264 6.9321 6.9321 6.9459 6.9459 7.8224 7.8224 8.0411 8.0411 8.0664 8.0664 8.2313 8.2313 8.4028 8.4028 8.9089 8.9089 9.1846 9.1846 9.2479 9.2479 9.3301 9.3301 9.9458 9.9458 12.2378 12.2378 13.0419 13.0419 13.0935 13.0935 13.9624 13.9624 k = 0.1177 0.1891-0.0000 ( 3851 PWs) bands (ev): -17.1332 -17.1332 -4.4628 -4.4628 -3.5976 -3.5976 -1.8809 -1.8809 -1.7668 -1.7668 -0.4654 -0.4654 -0.4630 -0.4630 1.8088 1.8088 2.8633 2.8633 4.4014 4.4014 5.9453 5.9453 6.6263 6.6263 6.6525 6.6525 6.9365 6.9365 6.9500 6.9500 6.9664 6.9664 7.8422 7.8422 8.0379 8.0379 8.0628 8.0628 8.2304 8.2304 8.3940 8.3940 8.9020 8.9020 9.2362 9.2362 9.3127 9.3127 9.3138 9.3138 10.0036 10.0036 12.2780 12.2780 13.0028 13.0028 13.0521 13.0521 13.9948 13.9948 k = 0.1268 0.2037-0.0000 ( 3843 PWs) bands (ev): -17.1329 -17.1329 -4.4890 -4.4890 -3.5788 -3.5788 -1.8816 -1.8816 -1.7319 -1.7319 -0.4768 -0.4768 -0.4755 -0.4755 1.7636 1.7636 2.8903 2.8903 4.4248 4.4248 5.8773 5.8773 6.6270 6.6270 6.6532 6.6532 6.9460 6.9460 6.9693 6.9693 6.9888 6.9888 7.8626 7.8626 8.0385 8.0385 8.0625 8.0625 8.2280 8.2280 8.3849 8.3849 8.8940 8.8940 9.2386 9.2386 9.3484 9.3484 9.3819 9.3819 10.0658 10.0658 12.3216 12.3216 12.9638 12.9638 13.0107 13.0107 14.0266 14.0266 k = 0.1358 0.2182-0.0000 ( 3843 PWs) bands (ev): -17.1325 -17.1325 -4.5136 -4.5136 -3.5614 -3.5614 -1.8829 -1.8829 -1.6965 -1.6965 -0.4880 -0.4880 -0.4875 -0.4875 1.7166 1.7166 2.9179 2.9179 4.4497 4.4497 5.8093 5.8093 6.6264 6.6264 6.6518 6.6518 6.9561 6.9561 6.9895 6.9895 7.0116 7.0116 7.8833 7.8833 8.0427 8.0427 8.0654 8.0654 8.2242 8.2242 8.3754 8.3754 8.8851 8.8851 9.2151 9.2151 9.4139 9.4139 9.4519 9.4519 10.1317 10.1317 12.3687 12.3687 12.9253 12.9253 12.9697 12.9697 14.0581 14.0581 k = 0.1449 0.2328-0.0000 ( 3859 PWs) bands (ev): -17.1322 -17.1322 -4.5364 -4.5364 -3.5457 -3.5457 -1.8851 -1.8851 -1.6610 -1.6610 -0.4990 -0.4990 -0.4987 -0.4987 1.6682 1.6682 2.9459 2.9459 4.4761 4.4761 5.7422 5.7422 6.6244 6.6244 6.6483 6.6483 6.9669 6.9669 7.0104 7.0104 7.0343 7.0343 7.9043 7.9043 8.0505 8.0505 8.0711 8.0711 8.2195 8.2195 8.3655 8.3655 8.8754 8.8754 9.1895 9.1895 9.4855 9.4855 9.5235 9.5235 10.2011 10.2011 12.4193 12.4193 12.8879 12.8879 12.9297 12.9297 14.0891 14.0891 k = 0.1540 0.2473-0.0000 ( 3859 PWs) bands (ev): -17.1319 -17.1319 -4.5572 -4.5572 -3.5314 -3.5314 -1.8882 -1.8882 -1.6259 -1.6259 -0.5095 -0.5095 -0.5089 -0.5089 1.6184 1.6184 2.9740 2.9740 4.5041 4.5041 5.6769 5.6769 6.6213 6.6213 6.6430 6.6430 6.9786 6.9786 7.0317 7.0317 7.0564 7.0564 7.9253 7.9253 8.0618 8.0618 8.0791 8.0791 8.2146 8.2146 8.3554 8.3554 8.8649 8.8649 9.1655 9.1655 9.5596 9.5596 9.5965 9.5965 10.2736 10.2736 12.4733 12.4733 12.8519 12.8519 12.8912 12.8912 14.1198 14.1198 k = 0.1630 0.2619-0.0000 ( 3835 PWs) bands (ev): -17.1315 -17.1315 -4.5760 -4.5760 -3.5186 -3.5186 -1.8923 -1.8923 -1.5916 -1.5916 -0.5194 -0.5194 -0.5180 -0.5180 1.5677 1.5677 3.0018 3.0018 4.5336 4.5336 5.6142 5.6142 6.6168 6.6168 6.6360 6.6360 6.9912 6.9912 7.0532 7.0532 7.0781 7.0781 7.9465 7.9465 8.0764 8.0764 8.0877 8.0877 8.2109 8.2109 8.3453 8.3453 8.8535 8.8535 9.1440 9.1440 9.6352 9.6352 9.6706 9.6706 10.3487 10.3487 12.5307 12.5307 12.8178 12.8178 12.8544 12.8544 14.1499 14.1499 k = 0.1721 0.2764-0.0000 ( 3835 PWs) bands (ev): -17.1312 -17.1312 -4.5927 -4.5927 -3.5073 -3.5073 -1.8975 -1.8975 -1.5586 -1.5586 -0.5285 -0.5285 -0.5258 -0.5258 1.5161 1.5161 3.0292 3.0292 4.5644 4.5644 5.5548 5.5548 6.6111 6.6111 6.6274 6.6274 7.0046 7.0046 7.0747 7.0747 7.0988 7.0988 7.9672 7.9672 8.0939 8.0939 8.0946 8.0946 8.2106 8.2106 8.3350 8.3350 8.8414 8.8414 9.1254 9.1254 9.7117 9.7117 9.7455 9.7455 10.4259 10.4259 12.5915 12.5915 12.7859 12.7859 12.8199 12.8199 14.1789 14.1789 k = 0.1811 0.2910-0.0000 ( 3859 PWs) bands (ev): -17.1308 -17.1308 -4.6073 -4.6073 -3.4974 -3.4974 -1.9039 -1.9039 -1.5275 -1.5275 -0.5367 -0.5367 -0.5320 -0.5320 1.4639 1.4639 3.0559 3.0559 4.5967 4.5967 5.4996 5.4996 6.6041 6.6041 6.6172 6.6172 7.0187 7.0187 7.0958 7.0958 7.1187 7.1187 7.9875 7.9875 8.0968 8.0968 8.1141 8.1141 8.2163 8.2163 8.3248 8.3248 8.8283 8.8283 9.1098 9.1098 9.7887 9.7887 9.8209 9.8209 10.5047 10.5047 12.6555 12.6555 12.7565 12.7565 12.7879 12.7879 14.1914 14.2015 k = 0.1902 0.3055-0.0000 ( 3859 PWs) bands (ev): -17.1305 -17.1305 -4.6196 -4.6196 -3.4889 -3.4889 -1.9115 -1.9115 -1.4986 -1.4986 -0.5439 -0.5439 -0.5366 -0.5366 1.4113 1.4113 3.0815 3.0815 4.6303 4.6303 5.4493 5.4493 6.5959 6.5959 6.6057 6.6057 7.0337 7.0337 7.1167 7.1167 7.1377 7.1377 8.0071 8.0071 8.0929 8.0929 8.1366 8.1366 8.2294 8.2294 8.3150 8.3150 8.8145 8.8145 9.0975 9.0975 9.8659 9.8659 9.8964 9.8964 10.5849 10.5849 12.7221 12.7221 12.7296 12.7296 12.7590 12.7590 14.1534 14.1534 k = 0.1992 0.3201-0.0000 ( 3859 PWs) bands (ev): -17.1302 -17.1302 -4.6296 -4.6296 -3.4816 -3.4816 -1.9203 -1.9203 -1.4725 -1.4725 -0.5498 -0.5498 -0.5394 -0.5394 1.3585 1.3585 3.1061 3.1061 4.6652 4.6652 5.4043 5.4043 6.5867 6.5867 6.5930 6.5930 7.0495 7.0495 7.1371 7.1371 7.1560 7.1560 8.0257 8.0257 8.0835 8.0835 8.1607 8.1607 8.2491 8.2491 8.3058 8.3058 8.7998 8.7998 9.0884 9.0884 9.9428 9.9428 9.9716 9.9716 10.6661 10.6661 12.7054 12.7054 12.7310 12.7310 12.7933 12.7933 14.1165 14.1167 k = 0.2083 0.3346-0.0000 ( 3851 PWs) bands (ev): -17.1298 -17.1298 -4.6373 -4.6373 -3.4757 -3.4757 -1.9305 -1.9305 -1.4495 -1.4495 -0.5545 -0.5545 -0.5404 -0.5404 1.3057 1.3057 3.1295 3.1295 4.7013 4.7013 5.3652 5.3652 6.5764 6.5764 6.5794 6.5794 7.0659 7.0659 7.1570 7.1570 7.1734 7.1734 8.0432 8.0432 8.0700 8.0700 8.1856 8.1856 8.2736 8.2736 8.2981 8.2981 8.7844 8.7844 9.0826 9.0826 10.0190 10.0190 10.0462 10.0462 10.7477 10.7477 12.6837 12.6837 12.7071 12.7071 12.8657 12.8657 14.0318 14.0318 k = 0.2174 0.3492-0.0000 ( 3851 PWs) bands (ev): -17.1295 -17.1295 -4.6426 -4.6426 -3.4709 -3.4709 -1.9418 -1.9418 -1.4303 -1.4303 -0.5578 -0.5578 -0.5394 -0.5394 1.2531 1.2531 3.1518 3.1518 4.7385 4.7385 5.3322 5.3322 6.5649 6.5649 6.5652 6.5652 7.0829 7.0829 7.1763 7.1763 7.1901 7.1901 8.0536 8.0536 8.0592 8.0592 8.2092 8.2092 8.2935 8.2935 8.3014 8.3014 8.7681 8.7681 9.0801 9.0801 10.0940 10.0940 10.1195 10.1195 10.8297 10.8297 12.6640 12.6640 12.6852 12.6852 12.9404 12.9404 13.8949 13.8949 k = 0.2264 0.3637-0.0000 ( 3843 PWs) bands (ev): -17.1293 -17.1293 -4.6456 -4.6456 -3.4673 -3.4673 -1.9544 -1.9544 -1.4150 -1.4150 -0.5597 -0.5597 -0.5366 -0.5366 1.2007 1.2007 3.1731 3.1731 4.7769 4.7769 5.3056 5.3056 6.5498 6.5498 6.5533 6.5533 7.1003 7.1003 7.1950 7.1950 7.2061 7.2061 8.0353 8.0353 8.0735 8.0735 8.2274 8.2274 8.2964 8.2964 8.3313 8.3313 8.7509 8.7509 9.0810 9.0810 10.1672 10.1672 10.1912 10.1912 10.9116 10.9116 12.6457 12.6457 12.6647 12.6647 13.0169 13.0169 13.7555 13.7555 k = 0.2355 0.3782-0.0000 ( 3851 PWs) bands (ev): -17.1290 -17.1290 -4.6461 -4.6461 -3.4649 -3.4649 -1.9680 -1.9680 -1.4040 -1.4040 -0.5602 -0.5602 -0.5320 -0.5320 1.1489 1.1489 3.1936 3.1936 4.8163 4.8163 5.2851 5.2851 6.5340 6.5340 6.5406 6.5406 7.1183 7.1183 7.2128 7.2128 7.2213 7.2213 8.0156 8.0156 8.0859 8.0859 8.2353 8.2353 8.3111 8.3111 8.3625 8.3625 8.7329 8.7329 9.0849 9.0849 10.2382 10.2382 10.2605 10.2605 10.9933 10.9933 12.6276 12.6276 12.6447 12.6447 13.0946 13.0946 13.6165 13.6165 k = 0.2445 0.3928-0.0000 ( 3851 PWs) bands (ev): -17.1287 -17.1287 -4.6442 -4.6442 -3.4634 -3.4634 -1.9827 -1.9827 -1.3976 -1.3976 -0.5594 -0.5594 -0.5255 -0.5255 1.0977 1.0977 3.2138 3.2138 4.8566 4.8566 5.2706 5.2706 6.5178 6.5178 6.5273 6.5273 7.1367 7.1367 7.2299 7.2299 7.2357 7.2357 7.9949 7.9949 8.0961 8.0961 8.2352 8.2352 8.3356 8.3356 8.3944 8.3944 8.7142 8.7142 9.0919 9.0919 10.3065 10.3065 10.3272 10.3272 11.0747 11.0747 12.6081 12.6081 12.6238 12.6238 13.1730 13.1730 13.4796 13.4796 k = 0.2536 0.4073-0.0000 ( 3859 PWs) bands (ev): -17.1285 -17.1285 -4.6398 -4.6398 -3.4630 -3.4630 -1.9984 -1.9984 -1.3960 -1.3960 -0.5573 -0.5573 -0.5173 -0.5173 1.0472 1.0472 3.2339 3.2339 4.8977 4.8977 5.2617 5.2617 6.5013 6.5013 6.5136 6.5136 7.1554 7.1554 7.2460 7.2460 7.2494 7.2494 7.9736 7.9736 8.1038 8.1038 8.2320 8.2320 8.3648 8.3648 8.4267 8.4267 8.6946 8.6946 9.1017 9.1017 10.3715 10.3715 10.3905 10.3905 11.1557 11.1557 12.5855 12.5855 12.6002 12.6002 13.2512 13.2512 13.3461 13.3461 k = 0.2626 0.4219-0.0000 ( 3867 PWs) bands (ev): -17.1283 -17.1283 -4.6331 -4.6331 -3.4635 -3.4635 -2.0148 -2.0148 -1.3992 -1.3992 -0.5541 -0.5541 -0.5075 -0.5075 0.9977 0.9977 3.2547 3.2547 4.9397 4.9397 5.2580 5.2580 6.4847 6.4847 6.4995 6.4995 7.1743 7.1743 7.2612 7.2612 7.2621 7.2621 7.9518 7.9518 8.1087 8.1087 8.2286 8.2286 8.3962 8.3962 8.4591 8.4591 8.6743 8.6743 9.1140 9.1140 10.4327 10.4327 10.4500 10.4500 11.2361 11.2361 12.5578 12.5578 12.5721 12.5721 13.2169 13.2169 13.3284 13.3284 k = 0.2717 0.4364-0.0000 ( 3859 PWs) bands (ev): -17.1281 -17.1281 -4.6240 -4.6240 -3.4648 -3.4648 -2.0319 -2.0319 -1.4073 -1.4073 -0.5499 -0.5499 -0.4962 -0.4962 0.9491 0.9491 3.2765 3.2765 4.9823 4.9823 5.2586 5.2586 6.4681 6.4681 6.4853 6.4853 7.1934 7.1934 7.2740 7.2740 7.2753 7.2753 7.9298 7.9298 8.1109 8.1109 8.2261 8.2261 8.4288 8.4288 8.4915 8.4915 8.6532 8.6532 9.1288 9.1288 10.4896 10.4896 10.5052 10.5052 11.3159 11.3159 12.5234 12.5234 12.5380 12.5380 13.0933 13.0933 13.4039 13.4039 k = 0.2807 0.4510-0.0000 ( 3859 PWs) bands (ev): -17.1279 -17.1279 -4.6125 -4.6125 -3.4670 -3.4670 -2.0496 -2.0496 -1.4203 -1.4203 -0.5447 -0.5447 -0.4834 -0.4834 0.9017 0.9017 3.3000 3.3000 5.0255 5.0255 5.2629 5.2629 6.4515 6.4515 6.4709 6.4709 7.2126 7.2126 7.2850 7.2850 7.2883 7.2883 7.9077 7.9077 8.1103 8.1103 8.2247 8.2247 8.4621 8.4621 8.5237 8.5237 8.6314 8.6314 9.1454 9.1454 10.5418 10.5418 10.5556 10.5556 11.3952 11.3952 12.4813 12.4813 12.4970 12.4970 12.9761 12.9761 13.4767 13.4767 k = 0.2898 0.4655-0.0000 ( 3859 PWs) bands (ev): -17.1277 -17.1277 -4.5986 -4.5986 -3.4699 -3.4699 -2.0678 -2.0678 -1.4381 -1.4381 -0.5389 -0.5389 -0.4695 -0.4695 0.8555 0.8555 3.3256 3.3256 5.0691 5.0691 5.2701 5.2701 6.4351 6.4351 6.4565 6.4565 7.2316 7.2316 7.2949 7.2949 7.3001 7.3001 7.8857 7.8857 8.1072 8.1072 8.2243 8.2243 8.4959 8.4959 8.5557 8.5557 8.6089 8.6089 9.1634 9.1634 10.5888 10.5888 10.6007 10.6007 11.4740 11.4740 12.4317 12.4317 12.4491 12.4491 12.8665 12.8665 13.5459 13.5459 k = 0.2989 0.4801-0.0000 ( 3835 PWs) bands (ev): -17.1276 -17.1276 -4.5825 -4.5825 -3.4734 -3.4734 -2.0862 -2.0862 -1.4606 -1.4606 -0.5324 -0.5324 -0.4545 -0.4545 0.8106 0.8106 3.3538 3.3538 5.1131 5.1131 5.2793 5.2793 6.4190 6.4190 6.4423 6.4423 7.2507 7.2507 7.3037 7.3037 7.3107 7.3107 7.8638 7.8638 8.1022 8.1022 8.2247 8.2247 8.5302 8.5302 8.5859 8.5859 8.5876 8.5876 9.1826 9.1826 10.6303 10.6303 10.6403 10.6403 11.5523 11.5523 12.3758 12.3758 12.3955 12.3955 12.7654 12.7654 13.6104 13.6104 k = 0.3079 0.4946-0.0000 ( 3831 PWs) bands (ev): -17.1274 -17.1274 -4.5642 -4.5642 -3.4776 -3.4776 -2.1047 -2.1047 -1.4874 -1.4874 -0.5254 -0.5254 -0.4386 -0.4386 0.7672 0.7672 3.3850 3.3850 5.1572 5.1572 5.2897 5.2897 6.4031 6.4031 6.4282 6.4282 7.2696 7.2696 7.3112 7.3112 7.3198 7.3198 7.8423 7.8423 8.0957 8.0957 8.2253 8.2253 8.5622 8.5622 8.5648 8.5648 8.6192 8.6192 9.2024 9.2024 10.6657 10.6657 10.6736 10.6736 11.6302 11.6302 12.3153 12.3153 12.3378 12.3378 12.6739 12.6739 13.6692 13.6692 k = 0.3170 0.5092-0.0000 ( 3831 PWs) bands (ev): -17.1273 -17.1273 -4.5437 -4.5437 -3.4823 -3.4823 -2.1233 -2.1233 -1.5184 -1.5184 -0.5181 -0.5181 -0.4219 -0.4219 0.7252 0.7252 3.4195 3.4195 5.2015 5.2015 5.3005 5.3005 6.3876 6.3876 6.4143 6.4143 7.2882 7.2882 7.3175 7.3175 7.3276 7.3276 7.8211 7.8211 8.0881 8.0881 8.2259 8.2259 8.5381 8.5381 8.5998 8.5998 8.6508 8.6508 9.2221 9.2221 10.6945 10.6945 10.7004 10.7004 11.7078 11.7078 12.2526 12.2526 12.2782 12.2782 12.5929 12.5929 13.7210 13.7210 k = 0.3260 0.5237-0.0000 ( 3851 PWs) bands (ev): -17.1272 -17.1272 -4.5212 -4.5212 -3.4875 -3.4875 -2.1417 -2.1417 -1.5533 -1.5533 -0.5105 -0.5105 -0.4047 -0.4047 0.6849 0.6849 3.4574 3.4574 5.2456 5.2456 5.3108 5.3108 6.3724 6.3724 6.4006 6.4006 7.3064 7.3064 7.3225 7.3225 7.3340 7.3340 7.8003 7.8003 8.0799 8.0799 8.2260 8.2260 8.5135 8.5135 8.6353 8.6353 8.6825 8.6825 9.2412 9.2412 10.7164 10.7164 10.7201 10.7201 11.7851 11.7851 12.1897 12.1897 12.2187 12.2187 12.5234 12.5234 13.7627 13.7627 k = 0.3351 0.5383-0.0000 ( 3855 PWs) bands (ev): -17.1272 -17.1272 -4.4967 -4.4967 -3.4932 -3.4932 -2.1599 -2.1599 -1.5917 -1.5917 -0.5026 -0.5026 -0.3871 -0.3871 0.6461 0.6461 3.4989 3.4989 5.2895 5.2895 5.3200 5.3200 6.3579 6.3579 6.3875 6.3875 7.3228 7.3228 7.3276 7.3276 7.3390 7.3390 7.7799 7.7799 8.0712 8.0712 8.2256 8.2256 8.4887 8.4887 8.6714 8.6714 8.7144 8.7144 9.2595 9.2595 10.7309 10.7309 10.7326 10.7326 11.8621 11.8621 12.1288 12.1288 12.1615 12.1615 12.4663 12.4663 13.7859 13.7859 k = 0.3441 0.5528-0.0000 ( 3851 PWs) bands (ev): -17.1271 -17.1271 -4.4704 -4.4704 -3.4992 -3.4992 -2.1778 -2.1778 -1.6332 -1.6332 -0.4947 -0.4947 -0.3693 -0.3693 0.6091 0.6091 3.5439 3.5439 5.3273 5.3273 5.3330 5.3330 6.3439 6.3439 6.3747 6.3747 7.3278 7.3278 7.3425 7.3425 7.3427 7.3427 7.7604 7.7604 8.0623 8.0623 8.2244 8.2244 8.4636 8.4636 8.7081 8.7081 8.7467 8.7467 9.2764 9.2764 10.7372 10.7372 10.7375 10.7375 11.9387 11.9387 12.0718 12.0718 12.1085 12.1085 12.4223 12.4223 13.7935 13.7935 k = 0.3532 0.5674-0.0000 ( 3851 PWs) bands (ev): -17.1271 -17.1271 -4.4424 -4.4424 -3.5055 -3.5055 -2.1951 -2.1951 -1.6773 -1.6773 -0.4866 -0.4866 -0.3514 -0.3514 0.5739 0.5739 3.5925 3.5925 5.3322 5.3322 5.3759 5.3759 6.3305 6.3305 6.3624 6.3624 7.3291 7.3291 7.3451 7.3451 7.3593 7.3593 7.7415 7.7415 8.0534 8.0534 8.2222 8.2222 8.4385 8.4385 8.7455 8.7455 8.7794 8.7794 9.2915 9.2915 10.7339 10.7339 10.7358 10.7358 12.0126 12.0126 12.0201 12.0201 12.0634 12.0634 12.3919 12.3919 13.7989 13.7989 k = 0.3623 0.5819-0.0000 ( 3855 PWs) bands (ev): -17.1270 -17.1270 -4.4129 -4.4129 -3.5121 -3.5121 -2.2120 -2.2120 -1.7237 -1.7237 -0.4786 -0.4786 -0.3336 -0.3336 0.5405 0.5405 3.6444 3.6444 5.3341 5.3341 5.4180 5.4180 6.3176 6.3176 6.3506 6.3506 7.3291 7.3291 7.3463 7.3463 7.3755 7.3755 7.7235 7.7235 8.0445 8.0445 8.2192 8.2192 8.4134 8.4134 8.7836 8.7836 8.8126 8.8126 9.3044 9.3044 10.7227 10.7227 10.7258 10.7258 11.9748 11.9748 12.0141 12.0141 12.0968 12.0968 12.3756 12.3756 13.8058 13.8058 k = 0.3713 0.5965-0.0000 ( 3847 PWs) bands (ev): -17.1270 -17.1270 -4.3821 -4.3821 -3.5189 -3.5189 -2.2281 -2.2281 -1.7717 -1.7717 -0.4706 -0.4706 -0.3161 -0.3161 0.5090 0.5090 3.6995 3.6995 5.3326 5.3326 5.4592 5.4592 6.3055 6.3055 6.3395 6.3395 7.3280 7.3280 7.3465 7.3465 7.3911 7.3911 7.7064 7.7064 8.0357 8.0357 8.2151 8.2151 8.3885 8.3885 8.8225 8.8225 8.8464 8.8464 9.3153 9.3153 10.7037 10.7037 10.7075 10.7075 11.9366 11.9366 11.9801 11.9801 12.1725 12.1725 12.3736 12.3736 13.8152 13.8152 k = 0.3804 0.6110-0.0000 ( 3832 PWs) bands (ev): -17.1270 -17.1270 -4.3502 -4.3502 -3.5259 -3.5259 -2.2436 -2.2436 -1.8209 -1.8209 -0.4628 -0.4628 -0.2990 -0.2990 0.4795 0.4795 3.7574 3.7574 5.3273 5.3273 5.4991 5.4991 6.2942 6.2942 6.3289 6.3289 7.3260 7.3260 7.3456 7.3456 7.4060 7.4060 7.6902 7.6902 8.0273 8.0273 8.2101 8.2101 8.3640 8.3640 8.8621 8.8621 8.8808 8.8808 9.3239 9.3239 10.6775 10.6775 10.6815 10.6815 11.9056 11.9056 11.9518 11.9518 12.2494 12.2494 12.3857 12.3857 13.8267 13.8267 k = 0.3894 0.6256-0.0000 ( 3828 PWs) bands (ev): -17.1270 -17.1270 -4.3175 -4.3175 -3.5330 -3.5330 -2.2582 -2.2582 -1.8706 -1.8706 -0.4551 -0.4551 -0.2824 -0.2824 0.4519 0.4519 3.8179 3.8179 5.3179 5.3179 5.5375 5.5375 6.2836 6.2836 6.3192 6.3192 7.3230 7.3230 7.3439 7.3439 7.4202 7.4202 7.6747 7.6747 8.0189 8.0189 8.2042 8.2042 8.3401 8.3401 8.9022 8.9022 8.9157 8.9157 9.3305 9.3305 10.6450 10.6450 10.6485 10.6485 11.8815 11.8815 11.9297 11.9297 12.3266 12.3266 12.4115 12.4115 13.8390 13.8390 k = 0.3985 0.6401-0.0000 ( 3816 PWs) bands (ev): -17.1270 -17.1270 -4.2842 -4.2842 -3.5403 -3.5403 -2.2719 -2.2719 -1.9203 -1.9203 -0.4478 -0.4478 -0.2666 -0.2666 0.4264 0.4264 3.8804 3.8804 5.3044 5.3044 5.5743 5.5743 6.2737 6.2737 6.3099 6.3099 7.3196 7.3196 7.3416 7.3416 7.4334 7.4334 7.6603 7.6603 8.0109 8.0109 8.1975 8.1975 8.3168 8.3168 8.9429 8.9429 8.9511 8.9511 9.3351 9.3351 10.6073 10.6073 10.6096 10.6096 11.8637 11.8637 11.9134 11.9134 12.4039 12.4039 12.4506 12.4506 13.8454 13.8454 k = 0.4075 0.6547-0.0000 ( 3824 PWs) bands (ev): -17.1270 -17.1270 -4.2508 -4.2508 -3.5476 -3.5476 -2.2846 -2.2846 -1.9693 -1.9693 -0.4407 -0.4407 -0.2516 -0.2516 0.4029 0.4029 3.9446 3.9446 5.2865 5.2865 5.6092 5.6092 6.2646 6.2646 6.3014 6.3014 7.3154 7.3154 7.3386 7.3386 7.4457 7.4457 7.6467 7.6467 8.0033 8.0033 8.1902 8.1902 8.2946 8.2946 8.9838 8.9838 8.9866 8.9866 9.3381 9.3381 10.5656 10.5656 10.5662 10.5662 11.8514 11.8514 11.9020 11.9020 12.4812 12.4812 12.5018 12.5018 13.8329 13.8329 k = 0.4166 0.6692-0.0000 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.2176 -4.2176 -3.5550 -3.5550 -2.2963 -2.2963 -2.0169 -2.0169 -0.4341 -0.4341 -0.2376 -0.2376 0.3815 0.3815 4.0098 4.0098 5.2645 5.2645 5.6419 5.6419 6.2562 6.2562 6.2937 6.2937 7.3110 7.3110 7.3352 7.3352 7.4571 7.4571 7.6343 7.6343 7.9959 7.9959 8.1825 8.1825 8.2735 8.2735 9.0221 9.0221 9.0247 9.0247 9.3397 9.3397 10.5196 10.5196 10.5214 10.5214 11.8435 11.8435 11.8948 11.8948 12.5585 12.5585 12.5640 12.5640 13.8064 13.8064 k = 0.4256 0.6838-0.0000 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1851 -4.1851 -3.5623 -3.5623 -2.3070 -2.3070 -2.0624 -2.0624 -0.4279 -0.4279 -0.2247 -0.2247 0.3623 0.3623 4.0755 4.0755 5.2386 5.2386 5.6721 5.6721 6.2487 6.2487 6.2867 6.2867 7.3065 7.3065 7.3317 7.3317 7.4674 7.4674 7.6230 7.6230 7.9891 7.9891 8.1747 8.1747 8.2538 8.2538 9.0572 9.0572 9.0652 9.0652 9.3404 9.3404 10.4712 10.4712 10.4758 10.4758 11.8391 11.8391 11.8909 11.8909 12.6355 12.6355 12.6355 12.6355 13.7718 13.7718 k = 0.4347 0.6983-0.0000 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1538 -4.1538 -3.5696 -3.5696 -2.3165 -2.3165 -2.1051 -2.1051 -0.4222 -0.4222 -0.2130 -0.2130 0.3451 0.3451 4.1408 4.1408 5.2092 5.2092 5.6997 5.6997 6.2420 6.2420 6.2804 6.2804 7.3019 7.3019 7.3281 7.3281 7.4768 7.4768 7.6128 7.6128 7.9829 7.9829 8.1670 8.1670 8.2357 8.2357 9.0914 9.0914 9.1048 9.1048 9.3403 9.3403 10.4227 10.4227 10.4304 10.4304 11.8373 11.8373 11.8893 11.8893 12.7122 12.7122 12.7145 12.7145 13.7310 13.7311 k = 0.4438 0.7129-0.0000 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1242 -4.1242 -3.5767 -3.5767 -2.3249 -2.3249 -2.1443 -2.1443 -0.4172 -0.4172 -0.2027 -0.2027 0.3302 0.3302 4.2049 4.2049 5.1769 5.1769 5.7243 5.7243 6.2362 6.2362 6.2750 6.2750 7.2976 7.2976 7.3247 7.3247 7.4851 7.4851 7.6037 7.6037 7.9773 7.9773 8.1598 8.1598 8.2194 8.2194 9.1241 9.1241 9.1429 9.1429 9.3398 9.3398 10.3753 10.3753 10.3865 10.3865 11.8372 11.8372 11.8894 11.8894 12.7881 12.7881 12.7986 12.7986 13.6852 13.6852 k = 0.4438 0.7129-0.0000 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1242 -4.1242 -3.5767 -3.5767 -2.3249 -2.3249 -2.1443 -2.1443 -0.4172 -0.4172 -0.2027 -0.2027 0.3302 0.3302 4.2049 4.2049 5.1769 5.1769 5.7243 5.7243 6.2362 6.2362 6.2750 6.2750 7.2976 7.2976 7.3247 7.3247 7.4851 7.4851 7.6037 7.6037 7.9773 7.9773 8.1598 8.1598 8.2194 8.2194 9.1241 9.1241 9.1429 9.1429 9.3398 9.3398 10.3753 10.3753 10.3865 10.3865 11.8372 11.8372 11.8894 11.8894 12.7881 12.7881 12.7986 12.7986 13.6852 13.6852 k = 0.4389 0.7051 0.0147 ( 3834 PWs) bands (ev): -17.1271 -17.1271 -4.1399 -4.1399 -3.5729 -3.5729 -2.3205 -2.3205 -2.1236 -2.1236 -0.4216 -0.4216 -0.2100 -0.2100 0.3427 0.3427 4.1720 4.1720 5.1947 5.1947 5.7097 5.7097 6.2390 6.2390 6.2775 6.2775 7.2982 7.2982 7.3246 7.3246 7.4829 7.4829 7.6087 7.6087 7.9802 7.9802 8.1636 8.1636 8.2281 8.2281 9.1061 9.1061 9.1225 9.1225 9.3411 9.3411 10.3968 10.3968 10.4061 10.4061 11.8347 11.8347 11.8867 11.8867 12.7516 12.7516 12.7559 12.7559 13.7101 13.7101 k = 0.4341 0.6973 0.0294 ( 3835 PWs) bands (ev): -17.1271 -17.1271 -4.1563 -4.1563 -3.5690 -3.5690 -2.3154 -2.3154 -2.1015 -2.1015 -0.4295 -0.4295 -0.2213 -0.2213 0.3649 0.3649 4.1411 4.1411 5.2123 5.2123 5.6910 5.6910 6.2410 6.2410 6.2802 6.2802 7.2954 7.2954 7.3209 7.3209 7.4847 7.4847 7.6143 7.6143 7.9830 7.9830 8.1676 8.1676 8.2375 8.2375 9.0851 9.0851 9.1022 9.1022 9.3441 9.3441 10.4114 10.4114 10.4189 10.4189 11.8278 11.8278 11.8795 11.8795 12.7198 12.7198 12.7227 12.7227 13.7337 13.7337 k = 0.4292 0.6895 0.0442 ( 3838 PWs) bands (ev): -17.1271 -17.1271 -4.1734 -4.1734 -3.5651 -3.5651 -2.3099 -2.3099 -2.0779 -2.0779 -0.4407 -0.4407 -0.2361 -0.2361 0.3957 0.3957 4.1125 4.1125 5.2295 5.2295 5.6688 5.6688 6.2403 6.2403 6.2840 6.2840 7.2891 7.2891 7.3140 7.3140 7.4900 7.4900 7.6207 7.6207 7.9859 7.9859 8.1715 8.1715 8.2477 8.2477 9.0593 9.0593 9.0841 9.0841 9.3488 9.3488 10.4187 10.4187 10.4246 10.4246 11.8170 11.8170 11.8684 11.8684 12.6916 12.6916 12.7000 12.7000 13.7571 13.7571 k = 0.4244 0.6817 0.0589 ( 3840 PWs) bands (ev): -17.1272 -17.1272 -4.1911 -4.1911 -3.5609 -3.5609 -2.3039 -2.3039 -2.0531 -2.0531 -0.4547 -0.4547 -0.2536 -0.2536 0.4340 0.4340 4.0865 4.0865 5.2461 5.2461 5.6435 5.6435 6.2357 6.2357 6.2901 6.2901 7.2798 7.2798 7.3047 7.3047 7.4980 7.4980 7.6277 7.6277 7.9888 7.9888 8.1752 8.1752 8.2582 8.2582 9.0296 9.0296 9.0681 9.0681 9.3548 9.3548 10.4184 10.4184 10.4234 10.4234 11.8027 11.8027 11.8545 11.8545 12.6716 12.6716 12.6820 12.6820 13.7811 13.7811 k = 0.4195 0.6739 0.0736 ( 3844 PWs) bands (ev): -17.1272 -17.1272 -4.2092 -4.2092 -3.5567 -3.5567 -2.2976 -2.2976 -2.0271 -2.0271 -0.4709 -0.4709 -0.2734 -0.2734 0.4788 0.4788 4.0635 4.0635 5.2622 5.2622 5.6156 5.6156 6.2268 6.2268 6.2980 6.2980 7.2678 7.2678 7.2932 7.2932 7.5078 7.5078 7.6355 7.6355 7.9918 7.9918 8.1785 8.1785 8.2691 8.2691 8.9973 8.9973 9.0535 9.0535 9.3622 9.3622 10.4101 10.4101 10.4154 10.4154 11.7846 11.7846 11.8397 11.8397 12.6601 12.6601 12.6668 12.6668 13.8066 13.8066 k = 0.4147 0.6662 0.0883 ( 3845 PWs) bands (ev): -17.1272 -17.1272 -4.2276 -4.2276 -3.5524 -3.5524 -2.2910 -2.2910 -2.0000 -2.0000 -0.4889 -0.4889 -0.2952 -0.2952 0.5291 0.5291 4.0435 4.0435 5.2774 5.2774 5.5856 5.5856 6.2140 6.2140 6.3070 6.3070 7.2539 7.2539 7.2798 7.2798 7.5186 7.5186 7.6440 7.6440 7.9948 7.9948 8.1813 8.1813 8.2801 8.2801 8.9633 8.9633 9.0398 9.0398 9.3709 9.3709 10.3937 10.3937 10.4013 10.4013 11.7622 11.7622 11.8266 11.8266 12.6508 12.6508 12.6589 12.6589 13.8342 13.8342 k = 0.4099 0.6584 0.1031 ( 3839 PWs) bands (ev): -17.1273 -17.1273 -4.2462 -4.2462 -3.5479 -3.5479 -2.2842 -2.2842 -1.9719 -1.9719 -0.5082 -0.5082 -0.3186 -0.3186 0.5842 0.5842 4.0269 4.0269 5.2917 5.2917 5.5540 5.5540 6.1977 6.1977 6.3165 6.3165 7.2385 7.2385 7.2644 7.2644 7.5299 7.5299 7.6533 7.6533 7.9980 7.9980 8.1834 8.1834 8.2909 8.2909 8.9283 8.9283 9.0269 9.0269 9.3809 9.3809 10.3697 10.3697 10.3814 10.3814 11.7351 11.7351 11.8171 11.8171 12.6351 12.6351 12.6648 12.6648 13.8637 13.8637 k = 0.4050 0.6506 0.1178 ( 3840 PWs) bands (ev): -17.1273 -17.1273 -4.2648 -4.2648 -3.5433 -3.5433 -2.2772 -2.2772 -1.9431 -1.9431 -0.5282 -0.5282 -0.3436 -0.3436 0.6432 0.6432 4.0139 4.0139 5.3047 5.3047 5.5211 5.5211 6.1781 6.1781 6.3258 6.3258 7.2222 7.2222 7.2470 7.2470 7.5411 7.5411 7.6633 7.6633 8.0012 8.0012 8.1847 8.1847 8.3014 8.3014 8.8931 8.8931 9.0146 9.0146 9.3921 9.3921 10.3388 10.3388 10.3563 10.3563 11.7039 11.7039 11.8119 11.8119 12.6168 12.6168 12.6793 12.6793 13.8934 13.8934 k = 0.4002 0.6428 0.1325 ( 3838 PWs) bands (ev): -17.1274 -17.1274 -4.2834 -4.2834 -3.5387 -3.5387 -2.2700 -2.2700 -1.9135 -1.9135 -0.5486 -0.5486 -0.3700 -0.3700 0.7058 0.7058 4.0045 4.0045 5.3159 5.3159 5.4878 5.4878 6.1555 6.1555 6.3345 6.3345 7.2052 7.2052 7.2276 7.2276 7.5519 7.5519 7.6742 7.6742 8.0048 8.0048 8.1851 8.1851 8.3114 8.3114 8.8584 8.8584 9.0029 9.0029 9.4046 9.4046 10.3019 10.3019 10.3266 10.3266 11.6699 11.6699 11.8105 11.8105 12.5954 12.5954 12.7014 12.7014 13.9167 13.9167 k = 0.3953 0.6350 0.1472 ( 3838 PWs) bands (ev): -17.1274 -17.1274 -4.3018 -4.3018 -3.5340 -3.5340 -2.2628 -2.2628 -1.8833 -1.8833 -0.5692 -0.5692 -0.3977 -0.3977 0.7715 0.7715 3.9988 3.9988 5.3240 5.3240 5.4555 5.4555 6.1300 6.1300 6.3422 6.3422 7.1877 7.1877 7.2062 7.2062 7.5621 7.5621 7.6860 7.6860 8.0086 8.0086 8.1844 8.1844 8.3207 8.3207 8.8247 8.8247 8.9915 8.9915 9.4183 9.4183 10.2600 10.2600 10.2930 10.2930 11.6341 11.6341 11.8121 11.8121 12.5709 12.5709 12.7300 12.7300 13.9214 13.9214 k = 0.3905 0.6273 0.1620 ( 3830 PWs) bands (ev): -17.1275 -17.1275 -4.3199 -4.3199 -3.5293 -3.5293 -2.2555 -2.2555 -1.8528 -1.8528 -0.5897 -0.5897 -0.4264 -0.4264 0.8399 0.8399 3.9970 3.9970 5.3258 5.3258 5.4277 5.4277 6.1019 6.1019 6.3487 6.3487 7.1698 7.1698 7.1833 7.1833 7.5713 7.5713 7.6988 7.6988 8.0128 8.0128 8.1826 8.1826 8.3290 8.3290 8.7928 8.7928 8.9802 8.9802 9.4333 9.4333 10.2141 10.2141 10.2562 10.2562 11.5976 11.5976 11.8153 11.8153 12.5439 12.5439 12.7643 12.7643 13.9123 13.9123 k = 0.3856 0.6195 0.1767 ( 3834 PWs) bands (ev): -17.1276 -17.1276 -4.3377 -4.3377 -3.5246 -3.5246 -2.2482 -2.2482 -1.8220 -1.8220 -0.6099 -0.6099 -0.4560 -0.4560 0.9106 0.9106 3.9990 3.9990 5.3151 5.3151 5.4106 5.4106 6.0711 6.0711 6.3535 6.3535 7.1507 7.1507 7.1594 7.1594 7.5795 7.5795 7.7123 7.7123 8.0174 8.0174 8.1796 8.1796 8.3362 8.3362 8.7631 8.7631 8.9690 8.9690 9.4496 9.4496 10.1652 10.1652 10.2171 10.2171 11.5614 11.5614 11.8187 11.8187 12.5156 12.5156 12.8028 12.8028 13.8985 13.8985 k = 0.3808 0.6117 0.1914 ( 3835 PWs) bands (ev): -17.1276 -17.1276 -4.3551 -4.3551 -3.5200 -3.5200 -2.2409 -2.2409 -1.7912 -1.7912 -0.6297 -0.6297 -0.4862 -0.4862 0.9833 0.9833 4.0049 4.0049 5.2894 5.2894 5.4069 5.4069 6.0379 6.0379 6.3565 6.3565 7.1275 7.1275 7.1380 7.1380 7.5866 7.5866 7.7267 7.7267 8.0227 8.0227 8.1755 8.1755 8.3420 8.3420 8.7360 8.7360 8.9576 8.9576 9.4671 9.4671 10.1145 10.1145 10.1764 10.1764 11.5261 11.5261 11.8203 11.8203 12.4875 12.4875 12.8443 12.8443 13.8834 13.8834 k = 0.3759 0.6039 0.2061 ( 3832 PWs) bands (ev): -17.1277 -17.1277 -4.3719 -4.3719 -3.5153 -3.5153 -2.2337 -2.2337 -1.7605 -1.7605 -0.6492 -0.6492 -0.5166 -0.5166 1.0578 1.0578 4.0146 4.0146 5.2541 5.2541 5.4114 5.4114 6.0026 6.0026 6.3573 6.3573 7.0998 7.0998 7.1194 7.1194 7.5925 7.5925 7.7416 7.7416 8.0287 8.0287 8.1703 8.1703 8.3465 8.3465 8.7118 8.7118 8.9459 8.9459 9.4858 9.4858 10.0627 10.0627 10.1347 10.1347 11.4927 11.4927 11.8180 11.8180 12.4615 12.4615 12.8873 12.8873 13.8683 13.8683 k = 0.3711 0.5961 0.2209 ( 3830 PWs) bands (ev): -17.1278 -17.1278 -4.3882 -4.3882 -3.5108 -3.5108 -2.2266 -2.2266 -1.7300 -1.7300 -0.6684 -0.6684 -0.5469 -0.5469 1.1337 1.1337 4.0281 4.0281 5.2141 5.2141 5.4195 5.4195 5.9653 5.9653 6.3558 6.3558 7.0699 7.0699 7.1015 7.1015 7.5975 7.5975 7.7569 7.7569 8.0355 8.0355 8.1643 8.1643 8.3497 8.3497 8.6908 8.6908 8.9336 8.9336 9.5053 9.5053 10.0107 10.0107 10.0929 10.0929 11.4616 11.4616 11.8097 11.8097 12.4397 12.4397 12.9299 12.9299 13.8500 13.8501 k = 0.3663 0.5884 0.2356 ( 3825 PWs) bands (ev): -17.1278 -17.1278 -4.4039 -4.4039 -3.5063 -3.5063 -2.2198 -2.2198 -1.7001 -1.7001 -0.6874 -0.6874 -0.5766 -0.5766 1.2107 1.2107 4.0452 4.0452 5.1715 5.1715 5.4292 5.4292 5.9262 5.9262 6.3518 6.3518 7.0385 7.0385 7.0840 7.0840 7.6015 7.6015 7.7723 7.7723 8.0432 8.0432 8.1576 8.1576 8.3515 8.3515 8.6728 8.6728 8.9206 8.9206 9.5253 9.5253 9.9591 9.9591 10.0518 10.0518 11.4335 11.4335 11.7935 11.7935 12.4236 12.4236 12.9703 12.9703 13.8115 13.8115 k = 0.3614 0.5806 0.2503 ( 3823 PWs) bands (ev): -17.1279 -17.1279 -4.4188 -4.4188 -3.5019 -3.5019 -2.2131 -2.2131 -1.6708 -1.6708 -0.7065 -0.7065 -0.6052 -0.6052 1.2886 1.2886 4.0659 4.0659 5.1272 5.1272 5.4398 5.4398 5.8856 5.8856 6.3449 6.3449 7.0058 7.0058 7.0666 7.0666 7.6045 7.6045 7.7877 7.7877 8.0518 8.0518 8.1507 8.1507 8.3521 8.3521 8.6576 8.6576 8.9068 8.9068 9.5452 9.5452 9.9086 9.9086 10.0124 10.0124 11.4090 11.4090 11.7682 11.7682 12.4144 12.4144 13.0064 13.0064 13.7603 13.7603 k = 0.3566 0.5728 0.2650 ( 3821 PWs) bands (ev): -17.1279 -17.1279 -4.4331 -4.4331 -3.4977 -3.4977 -2.2068 -2.2068 -1.6425 -1.6425 -0.7258 -0.7258 -0.6320 -0.6320 1.3671 1.3671 4.0900 4.0900 5.0819 5.0819 5.4510 5.4510 5.8438 5.8438 6.3350 6.3350 6.9722 6.9722 7.0494 7.0494 7.6067 7.6067 7.8027 7.8027 8.0612 8.0612 8.1441 8.1441 8.3519 8.3519 8.6449 8.6449 8.8922 8.8922 9.5639 9.5639 9.8595 9.8595 9.9758 9.9758 11.3886 11.3886 11.7336 11.7336 12.4119 12.4119 13.0366 13.0366 13.7089 13.7089 k = 0.3517 0.5650 0.2798 ( 3827 PWs) bands (ev): -17.1280 -17.1280 -4.4466 -4.4466 -3.4936 -3.4936 -2.2009 -2.2009 -1.6153 -1.6153 -0.7456 -0.7456 -0.6564 -0.6564 1.4459 1.4459 4.1172 4.1172 5.0360 5.0360 5.4628 5.4628 5.8010 5.8010 6.3218 6.3218 6.9380 6.9380 7.0323 7.0323 7.6082 7.6082 7.8173 7.8173 8.0707 8.0707 8.1387 8.1387 8.3510 8.3510 8.6341 8.6341 8.8768 8.8768 9.5799 9.5799 9.8122 9.8122 9.9439 9.9439 11.3728 11.3728 11.6904 11.6904 12.4149 12.4149 13.0596 13.0596 13.6610 13.6610 k = 0.3469 0.5572 0.2945 ( 3823 PWs) bands (ev): -17.1280 -17.1280 -4.4593 -4.4593 -3.4897 -3.4897 -2.1954 -2.1954 -1.5894 -1.5894 -0.7659 -0.7659 -0.6781 -0.6781 1.5246 1.5246 4.1475 4.1475 4.9897 4.9897 5.4751 5.4751 5.7576 5.7576 6.3051 6.3051 6.9034 6.9034 7.0152 7.0152 7.6090 7.6090 7.8312 7.8312 8.0792 8.0792 8.1361 8.1361 8.3497 8.3497 8.6249 8.6249 8.8605 8.8605 9.5910 9.5910 9.7668 9.7668 9.9190 9.9190 11.3619 11.3619 11.6401 11.6401 12.4217 12.4217 13.0748 13.0748 13.6186 13.6186 k = 0.3420 0.5494 0.3092 ( 3828 PWs) bands (ev): -17.1281 -17.1281 -4.4711 -4.4711 -3.4860 -3.4860 -2.1905 -2.1905 -1.5652 -1.5652 -0.7863 -0.7863 -0.6970 -0.6970 1.6030 1.6030 4.1805 4.1805 4.9434 4.9434 5.4879 5.4879 5.7139 5.7139 6.2848 6.2848 6.8689 6.8689 6.9982 6.9982 7.6092 7.6092 7.8443 7.8443 8.0847 8.0847 8.1385 8.1385 8.3482 8.3482 8.6169 8.6169 8.8435 8.8435 9.5943 9.5943 9.7235 9.7235 9.9038 9.9038 11.3565 11.3565 11.5839 11.5839 12.4304 12.4304 13.0827 13.0827 13.5833 13.5833 k = 0.3372 0.5417 0.3239 ( 3827 PWs) bands (ev): -17.1281 -17.1281 -4.4822 -4.4822 -3.4824 -3.4824 -2.1862 -2.1862 -1.5429 -1.5429 -0.8064 -0.8064 -0.7132 -0.7132 1.6806 1.6806 4.2159 4.2159 4.8976 4.8976 5.5013 5.5013 5.6703 5.6703 6.2607 6.2607 6.8347 6.8347 6.9813 6.9813 7.6090 7.6090 7.8566 7.8566 8.0862 8.0862 8.1472 8.1472 8.3469 8.3469 8.6096 8.6096 8.8261 8.8261 9.5882 9.5882 9.6821 9.6821 9.9003 9.9003 11.3568 11.3568 11.5235 11.5235 12.4389 12.4389 13.0843 13.0843 13.5563 13.5563 k = 0.3323 0.5339 0.3387 ( 3829 PWs) bands (ev): -17.1282 -17.1282 -4.4925 -4.4925 -3.4790 -3.4790 -2.1826 -2.1826 -1.5227 -1.5227 -0.8254 -0.8254 -0.7272 -0.7272 1.7572 1.7572 4.2533 4.2533 4.8526 4.8526 5.5151 5.5151 5.6272 5.6272 6.2327 6.2327 6.8014 6.8014 6.9643 6.9643 7.6083 7.6083 7.8680 7.8680 8.0846 8.0846 8.1608 8.1608 8.3459 8.3459 8.6027 8.6027 8.8086 8.8086 9.5727 9.5727 9.6423 9.6423 9.9084 9.9084 11.3628 11.3628 11.4603 11.4603 12.4455 12.4455 13.0808 13.0808 13.5388 13.5388 k = 0.3275 0.5261 0.3534 ( 3827 PWs) bands (ev): -17.1282 -17.1282 -4.5019 -4.5019 -3.4758 -3.4758 -2.1797 -2.1797 -1.5048 -1.5048 -0.8427 -0.8427 -0.7393 -0.7393 1.8323 1.8323 4.2923 4.2923 4.8090 4.8090 5.5294 5.5294 5.5850 5.5850 6.2007 6.2007 6.7692 6.7692 6.9473 6.9473 7.6072 7.6072 7.8787 7.8787 8.0819 8.0819 8.1776 8.1776 8.3456 8.3456 8.5960 8.5960 8.7912 8.7912 9.5500 9.5500 9.6039 9.6039 9.9262 9.9262 11.3709 11.3709 11.3994 11.3994 12.4489 12.4489 13.0735 13.0735 13.5314 13.5314 k = 0.3227 0.5183 0.3681 ( 3827 PWs) bands (ev): -17.1282 -17.1282 -4.5105 -4.5105 -3.4728 -3.4728 -2.1776 -2.1776 -1.4894 -1.4894 -0.8578 -0.8578 -0.7498 -0.7498 1.9056 1.9056 4.3322 4.3322 4.7676 4.7676 5.5390 5.5390 5.5492 5.5492 6.1647 6.1647 6.7386 6.7386 6.9303 6.9303 7.6057 7.6057 7.8887 7.8887 8.0791 8.0791 8.1959 8.1959 8.3463 8.3463 8.5893 8.5893 8.7745 8.7745 9.5228 9.5228 9.5665 9.5665 9.9509 9.9509 11.3237 11.3237 11.3992 11.3992 12.4484 12.4484 13.0636 13.0636 13.5345 13.5345 k = 0.3178 0.5105 0.3828 ( 3829 PWs) bands (ev): -17.1282 -17.1282 -4.5183 -4.5183 -3.4701 -3.4701 -2.1763 -2.1763 -1.4767 -1.4767 -0.8702 -0.8702 -0.7589 -0.7589 1.9766 1.9766 4.3718 4.3718 4.7294 4.7294 5.5035 5.5035 5.5607 5.5607 6.1249 6.1249 6.7100 6.7100 6.9131 6.9131 7.6040 7.6040 7.8981 7.8981 8.0766 8.0766 8.2146 8.2146 8.3481 8.3481 8.5825 8.5825 8.7589 8.7589 9.4930 9.4930 9.5299 9.5299 9.9804 9.9804 11.2569 11.2569 11.4247 11.4247 12.4438 12.4438 13.0516 13.0516 13.5480 13.5480 k = 0.3130 0.5028 0.3976 ( 3829 PWs) bands (ev): -17.1282 -17.1282 -4.5253 -4.5253 -3.4675 -3.4675 -2.1759 -2.1759 -1.4665 -1.4665 -0.8799 -0.8799 -0.7668 -0.7668 2.0449 2.0449 4.4094 4.4094 4.6963 4.6963 5.4663 5.4663 5.5761 5.5761 6.0813 6.0813 6.6836 6.6836 6.8958 6.8958 7.6021 7.6021 7.9069 7.9069 8.0746 8.0746 8.2326 8.2326 8.3517 8.3517 8.5756 8.5756 8.7449 8.7449 9.4622 9.4622 9.4941 9.4941 10.0130 10.0130 11.1893 11.1893 11.4579 11.4579 12.4353 12.4353 13.0382 13.0382 13.5712 13.5712 k = 0.3081 0.4950 0.4123 ( 3833 PWs) bands (ev): -17.1282 -17.1282 -4.5315 -4.5315 -3.4651 -3.4651 -2.1762 -2.1762 -1.4587 -1.4587 -0.8869 -0.8869 -0.7736 -0.7736 2.1101 2.1101 4.4414 4.4414 4.6718 4.6718 5.4316 5.4316 5.5917 5.5917 6.0344 6.0344 6.6599 6.6599 6.8783 6.8783 7.6000 7.6000 7.9154 7.9154 8.0731 8.0731 8.2490 8.2490 8.3571 8.3571 8.5686 8.5686 8.7331 8.7331 9.4310 9.4310 9.4592 9.4592 10.0476 10.0476 11.1220 11.1220 11.4982 11.4982 12.4234 12.4234 13.0235 13.0235 13.6034 13.6034 k = 0.3033 0.4872 0.4270 ( 3835 PWs) bands (ev): -17.1282 -17.1282 -4.5370 -4.5370 -3.4630 -3.4630 -2.1772 -2.1772 -1.4532 -1.4532 -0.8913 -0.8913 -0.7794 -0.7794 2.1716 2.1716 4.4621 4.4621 4.6617 4.6617 5.4000 5.4000 5.6070 5.6070 5.9846 5.9846 6.6390 6.6390 6.8606 6.8606 7.5977 7.5977 7.9235 7.9235 8.0720 8.0720 8.2629 8.2629 8.3646 8.3646 8.5618 8.5618 8.7242 8.7242 9.3997 9.3997 9.4256 9.4256 10.0835 10.0835 11.0555 11.0555 11.5453 11.5453 12.4091 12.4091 13.0073 13.0073 13.6433 13.6433 k = 0.2984 0.4794 0.4417 ( 3837 PWs) bands (ev): -17.1282 -17.1282 -4.5419 -4.5419 -3.4611 -3.4611 -2.1789 -2.1789 -1.4497 -1.4497 -0.8936 -0.8936 -0.7843 -0.7843 2.2291 2.2291 4.4663 4.4663 4.6712 4.6712 5.3717 5.3717 5.6216 5.6216 5.9324 5.9324 6.6213 6.6213 6.8427 6.8427 7.5954 7.5954 7.9314 7.9314 8.0713 8.0713 8.2741 8.2741 8.3736 8.3736 8.5551 8.5551 8.7189 8.7189 9.3684 9.3684 9.3936 9.3936 10.1202 10.1202 10.9902 10.9902 11.5991 11.5991 12.3932 12.3932 12.9895 12.9895 13.6899 13.6899 k = 0.2936 0.4716 0.4564 ( 3841 PWs) bands (ev): -17.1282 -17.1282 -4.5460 -4.5460 -3.4594 -3.4594 -2.1811 -2.1811 -1.4476 -1.4476 -0.8942 -0.8942 -0.7883 -0.7883 2.2820 2.2820 4.4563 4.4563 4.6979 4.6979 5.3474 5.3474 5.6345 5.6345 5.8788 5.8788 6.6069 6.6069 6.8245 6.8245 7.5931 7.5931 7.9392 7.9392 8.0708 8.0708 8.2828 8.2828 8.3830 8.3830 8.5487 8.5487 8.7181 8.7181 9.3367 9.3367 9.3640 9.3640 10.1572 10.1572 10.9265 10.9265 11.6592 11.6592 12.3765 12.3765 12.9695 12.9695 13.7420 13.7420 k = 0.2888 0.4639 0.4712 ( 3838 PWs) bands (ev): -17.1282 -17.1282 -4.5495 -4.5495 -3.4579 -3.4579 -2.1838 -2.1838 -1.4468 -1.4468 -0.8936 -0.8936 -0.7913 -0.7913 2.3301 2.3301 4.4389 4.4389 4.7348 4.7348 5.3274 5.3274 5.6439 5.6439 5.8258 5.8258 6.5962 6.5962 6.8061 6.8061 7.5909 7.5909 7.9469 7.9469 8.0702 8.0702 8.2896 8.2896 8.3918 8.3918 8.5425 8.5425 8.7222 8.7222 9.3046 9.3046 9.3372 9.3372 10.1943 10.1943 10.8647 10.8647 11.7251 11.7251 12.3597 12.3597 12.9463 12.9463 13.7984 13.7984 k = 0.2839 0.4561 0.4859 ( 3844 PWs) bands (ev): -17.1282 -17.1282 -4.5525 -4.5525 -3.4566 -3.4566 -2.1867 -2.1867 -1.4468 -1.4468 -0.8922 -0.8922 -0.7935 -0.7935 2.3729 2.3729 4.4192 4.4192 4.7768 4.7768 5.3121 5.3121 5.6454 5.6454 5.7779 5.7779 6.5893 6.5893 6.7875 6.7875 7.5887 7.5887 7.9545 7.9545 8.0694 8.0694 8.2949 8.2949 8.3987 8.3987 8.5365 8.5365 8.7316 8.7316 9.2724 9.2724 9.3133 9.3133 10.2313 10.2313 10.8052 10.8052 11.7964 11.7964 12.3436 12.3436 12.9191 12.9191 13.8580 13.8580 k = 0.2791 0.4483 0.5006 ( 3840 PWs) bands (ev): -17.1282 -17.1282 -4.5549 -4.5549 -3.4555 -3.4555 -2.1898 -2.1898 -1.4472 -1.4472 -0.8905 -0.8905 -0.7950 -0.7950 2.4101 2.4101 4.4000 4.4000 4.8209 4.8209 5.3016 5.3016 5.6293 5.6293 5.7452 5.7452 6.5864 6.5864 6.7686 6.7686 7.5867 7.5867 7.9621 7.9621 8.0683 8.0683 8.2994 8.2994 8.4037 8.4037 8.5306 8.5306 8.7460 8.7460 9.2404 9.2404 9.2925 9.2925 10.2681 10.2681 10.7482 10.7482 11.8723 11.8723 12.3285 12.3285 12.8866 12.8866 13.9194 13.9194 k = 0.2742 0.4405 0.5153 ( 3838 PWs) bands (ev): -17.1281 -17.1281 -4.5568 -4.5568 -3.4547 -3.4547 -2.1928 -2.1928 -1.4479 -1.4479 -0.8889 -0.8889 -0.7957 -0.7957 2.4415 2.4415 4.3827 4.3827 4.8652 4.8652 5.2963 5.2963 5.5902 5.5902 5.7333 5.7333 6.5875 6.5875 6.7495 6.7495 7.5850 7.5850 7.9695 7.9695 8.0667 8.0667 8.3032 8.3032 8.4068 8.4068 8.5248 8.5248 8.7644 8.7644 9.2094 9.2094 9.2746 9.2746 10.3045 10.3045 10.6941 10.6941 11.9516 11.9516 12.3150 12.3150 12.8478 12.8478 13.9766 13.9766 k = 0.2694 0.4327 0.5301 ( 3836 PWs) bands (ev): -17.1281 -17.1281 -4.5583 -4.5583 -3.4540 -3.4540 -2.1956 -2.1956 -1.4486 -1.4486 -0.8875 -0.8875 -0.7958 -0.7958 2.4671 2.4671 4.3679 4.3679 4.9085 4.9085 5.2961 5.2961 5.5384 5.5384 5.7328 5.7328 6.5925 6.5925 6.7302 6.7302 7.5834 7.5834 7.9768 7.9768 8.0645 8.0645 8.3065 8.3065 8.4086 8.4086 8.5193 8.5193 8.7852 8.7852 9.1801 9.1801 9.2599 9.2599 10.3403 10.3403 10.6433 10.6433 12.0330 12.0330 12.3033 12.3033 12.8023 12.8023 13.9806 13.9806 k = 0.2645 0.4249 0.5448 ( 3826 PWs) bands (ev): -17.1281 -17.1281 -4.5593 -4.5593 -3.4534 -3.4534 -2.1981 -2.1981 -1.4493 -1.4493 -0.8864 -0.8864 -0.7956 -0.7956 2.4866 2.4866 4.3561 4.3561 4.9490 4.9490 5.3009 5.3009 5.4833 5.4833 5.7356 5.7356 6.6014 6.6014 6.7107 6.7107 7.5822 7.5822 7.9837 7.9837 8.0618 8.0618 8.3092 8.3092 8.4096 8.4096 8.5144 8.5144 8.8065 8.8065 9.1537 9.1537 9.2484 9.2484 10.3755 10.3755 10.5962 10.5962 12.1140 12.1140 12.2937 12.2937 12.7505 12.7505 13.9629 13.9629 k = 0.2597 0.4172 0.5595 ( 3834 PWs) bands (ev): -17.1281 -17.1281 -4.5600 -4.5600 -3.4531 -3.4531 -2.2000 -2.2000 -1.4497 -1.4497 -0.8858 -0.8858 -0.7953 -0.7953 2.5004 2.5004 4.3476 4.3476 4.9844 4.9844 5.3102 5.3102 5.4307 5.4307 5.7385 5.7385 6.6137 6.6137 6.6914 6.6914 7.5813 7.5813 7.9897 7.9897 8.0587 8.0587 8.3113 8.3113 8.4101 8.4101 8.5103 8.5103 8.8254 8.8254 9.1320 9.1320 9.2401 9.2401 10.4096 10.4096 10.5534 10.5534 12.1901 12.1901 12.2864 12.2864 12.6960 12.6960 13.9490 13.9490 k = 0.2548 0.4094 0.5742 ( 3840 PWs) bands (ev): -17.1281 -17.1281 -4.5604 -4.5604 -3.4529 -3.4529 -2.2013 -2.2013 -1.4500 -1.4500 -0.8855 -0.8855 -0.7950 -0.7950 2.5084 2.5084 4.3425 4.3425 5.0105 5.0105 5.3224 5.3224 5.3876 5.3876 5.7404 5.7404 6.6285 6.6285 6.6726 6.6726 7.5807 7.5807 7.9942 7.9942 8.0560 8.0560 8.3126 8.3126 8.4104 8.4104 8.5075 8.5075 8.8389 8.8389 9.1175 9.1175 9.2351 9.2351 10.4413 10.4413 10.5162 10.5162 12.2509 12.2509 12.2819 12.2819 12.6481 12.6481 13.9411 13.9411 k = 0.2500 0.4016 0.5890 ( 3848 PWs) bands (ev): -17.1281 -17.1281 -4.5606 -4.5606 -3.4528 -3.4528 -2.2017 -2.2017 -1.4501 -1.4501 -0.8854 -0.8854 -0.7948 -0.7948 2.5110 2.5110 4.3408 4.3408 5.0208 5.0208 5.3294 5.3294 5.3685 5.3685 5.7411 5.7411 6.6395 6.6395 6.6604 6.6604 7.5805 7.5805 7.9959 7.9959 8.0548 8.0548 8.3130 8.3130 8.4106 8.4106 8.5065 8.5065 8.8438 8.8438 9.1123 9.1123 9.2334 9.2334 10.4610 10.4610 10.4948 10.4948 12.2739 12.2739 12.2829 12.2829 12.6268 12.6268 13.9389 13.9389 k = 0.2500 0.4016 0.5890 ( 3848 PWs) bands (ev): -17.1281 -17.1281 -4.5606 -4.5606 -3.4528 -3.4528 -2.2017 -2.2017 -1.4501 -1.4501 -0.8854 -0.8854 -0.7948 -0.7948 2.5110 2.5110 4.3408 4.3408 5.0208 5.0208 5.3294 5.3294 5.3685 5.3685 5.7411 5.7411 6.6395 6.6395 6.6604 6.6604 7.5805 7.5805 7.9959 7.9959 8.0548 8.0548 8.3130 8.3130 8.4106 8.4106 8.5065 8.5065 8.8438 8.8438 9.1123 9.1123 9.2334 9.2334 10.4610 10.4610 10.4948 10.4948 12.2739 12.2739 12.2829 12.2829 12.6268 12.6268 13.9389 13.9389 k = 0.2396 0.4081 0.5767 ( 3838 PWs) bands (ev): -17.1281 -17.1281 -4.5609 -4.5609 -3.4527 -3.4527 -2.2007 -2.2007 -1.4495 -1.4495 -0.8855 -0.8855 -0.7953 -0.7953 2.5075 2.5075 4.3425 4.3425 5.0062 5.0062 5.3362 5.3362 5.3787 5.3787 5.7395 5.7395 6.6408 6.6408 6.6618 6.6618 7.5807 7.5807 7.9955 7.9955 8.0544 8.0544 8.3126 8.3126 8.4101 8.4101 8.5077 8.5077 8.8420 8.8420 9.1136 9.1136 9.2356 9.2356 10.4625 10.4625 10.4962 10.4962 12.2479 12.2479 12.2739 12.2739 12.6570 12.6570 13.9401 13.9401 k = 0.2292 0.4146 0.5644 ( 3836 PWs) bands (ev): -17.1281 -17.1281 -4.5618 -4.5618 -3.4523 -3.4523 -2.1978 -2.1978 -1.4477 -1.4477 -0.8861 -0.8861 -0.7966 -0.7966 2.4970 2.4970 4.3477 4.3477 4.9697 4.9697 5.3406 5.3406 5.4176 5.4176 5.7345 5.7345 6.6440 6.6440 6.6666 6.6666 7.5810 7.5810 7.9942 7.9942 8.0531 8.0531 8.3110 8.3110 8.4086 8.4086 8.5111 8.5111 8.8366 8.8366 9.1173 9.1173 9.2423 9.2423 10.4666 10.4666 10.5006 10.5006 12.1802 12.1802 12.2571 12.2571 12.7277 12.7277 13.9426 13.9426 k = 0.2188 0.4211 0.5522 ( 3830 PWs) bands (ev): -17.1281 -17.1281 -4.5633 -4.5633 -3.4518 -3.4518 -2.1929 -2.1929 -1.4448 -1.4448 -0.8874 -0.8874 -0.7984 -0.7984 2.4797 2.4797 4.3563 4.3563 4.9232 4.9232 5.3380 5.3380 5.4779 5.4779 5.7265 5.7265 6.6475 6.6475 6.6760 6.6760 7.5814 7.5814 7.9921 7.9921 8.0509 8.0509 8.3085 8.3085 8.4062 8.4062 8.5164 8.5164 8.8282 8.8282 9.1227 9.1227 9.2541 9.2541 10.4720 10.4720 10.5084 10.5084 12.0981 12.0981 12.2312 12.2312 12.8133 12.8133 13.9430 13.9430 k = 0.2083 0.4275 0.5399 ( 3826 PWs) bands (ev): -17.1281 -17.1281 -4.5654 -4.5654 -3.4510 -3.4510 -2.1862 -2.1862 -1.4407 -1.4407 -0.8899 -0.8899 -0.8002 -0.8002 2.4560 2.4560 4.3683 4.3683 4.8739 4.8739 5.3320 5.3320 5.5483 5.5483 5.7156 5.7156 6.6505 6.6505 6.6907 6.6907 7.5818 7.5818 7.9892 7.9892 8.0480 8.0480 8.3051 8.3051 8.4028 8.4028 8.5230 8.5230 8.8177 8.8177 9.1292 9.1292 9.2715 9.2715 10.4778 10.4778 10.5197 10.5197 12.0138 12.0138 12.1972 12.1972 12.9017 12.9017 13.9381 13.9381 k = 0.1979 0.4340 0.5276 ( 3834 PWs) bands (ev): -17.1281 -17.1281 -4.5681 -4.5681 -3.4499 -3.4499 -2.1777 -2.1777 -1.4356 -1.4356 -0.8941 -0.8941 -0.8013 -0.8013 2.4261 2.4261 4.3835 4.3835 4.8255 4.8255 5.3238 5.3238 5.6239 5.6239 5.7023 5.7023 6.6533 6.6533 6.7098 6.7098 7.5818 7.5818 7.9856 7.9856 8.0444 8.0444 8.3007 8.3007 8.3985 8.3985 8.5301 8.5301 8.8063 8.8063 9.1359 9.1359 9.2951 9.2951 10.4834 10.4834 10.5331 10.5331 11.9330 11.9330 12.1568 12.1568 12.9864 12.9864 13.9259 13.9259 k = 0.1875 0.4405 0.5153 ( 3830 PWs) bands (ev): -17.1281 -17.1281 -4.5712 -4.5712 -3.4487 -3.4487 -2.1677 -2.1677 -1.4296 -1.4296 -0.9006 -0.9006 -0.8009 -0.8009 2.3907 2.3907 4.4018 4.4018 4.7796 4.7796 5.3138 5.3138 5.6856 5.6856 5.7030 5.7030 6.6560 6.6560 6.7327 6.7327 7.5815 7.5815 7.9816 7.9816 8.0405 8.0405 8.2956 8.2956 8.3936 8.3936 8.5366 8.5366 8.7958 8.7958 9.1424 9.1424 9.3252 9.3252 10.4889 10.4889 10.5469 10.5469 11.8591 11.8591 12.1119 12.1119 13.0634 13.0634 13.9066 13.9066 k = 0.1771 0.4470 0.5031 ( 3836 PWs) bands (ev): -17.1281 -17.1281 -4.5747 -4.5747 -3.4473 -3.4473 -2.1561 -2.1561 -1.4226 -1.4226 -0.9098 -0.9098 -0.7986 -0.7986 2.3503 2.3503 4.4230 4.4230 4.7372 4.7372 5.3023 5.3023 5.6688 5.6688 5.7811 5.7811 6.6588 6.6588 6.7587 6.7587 7.5805 7.5805 7.9773 7.9773 8.0362 8.0362 8.2895 8.2895 8.3880 8.3880 8.5408 8.5408 8.7881 8.7881 9.1487 9.1487 9.3617 9.3617 10.4944 10.4944 10.5585 10.5585 11.7948 11.7948 12.0640 12.0640 13.1296 13.1296 13.8815 13.8815 k = 0.1667 0.4535 0.4908 ( 3834 PWs) bands (ev): -17.1281 -17.1281 -4.5785 -4.5785 -3.4458 -3.4458 -2.1432 -2.1432 -1.4149 -1.4149 -0.9217 -0.9217 -0.7942 -0.7942 2.3056 2.3056 4.4470 4.4470 4.6986 4.6986 5.2895 5.2895 5.6498 5.6498 5.8594 5.8594 6.6618 6.6618 6.7873 6.7873 7.5786 7.5786 7.9728 7.9728 8.0318 8.0318 8.2826 8.2826 8.3821 8.3821 8.5414 8.5414 8.7850 8.7850 9.1545 9.1545 9.4042 9.4042 10.4998 10.4998 10.5656 10.5656 11.7425 11.7425 12.0148 12.0148 13.1829 13.1829 13.8522 13.8522 k = 0.1562 0.4600 0.4785 ( 3838 PWs) bands (ev): -17.1282 -17.1282 -4.5827 -4.5827 -3.4441 -3.4441 -2.1291 -2.1291 -1.4065 -1.4065 -0.9360 -0.9360 -0.7877 -0.7877 2.2573 2.2573 4.4735 4.4735 4.6639 4.6639 5.2757 5.2757 5.6295 5.6295 5.9363 5.9363 6.6649 6.6649 6.8179 6.8179 7.5755 7.5755 7.9682 7.9682 8.0274 8.0274 8.2747 8.2747 8.3759 8.3759 8.5375 8.5375 8.7881 8.7881 9.1601 9.1601 9.4526 9.4526 10.5052 10.5052 10.5658 10.5658 11.7041 11.7041 11.9654 11.9654 13.2224 13.2224 13.8203 13.8203 k = 0.1458 0.4664 0.4663 ( 3832 PWs) bands (ev): -17.1282 -17.1282 -4.5870 -4.5870 -3.4423 -3.4423 -2.1142 -2.1142 -1.3977 -1.3977 -0.9525 -0.9525 -0.7793 -0.7793 2.2063 2.2063 4.5022 4.5022 4.6332 4.6332 5.2612 5.2612 5.6082 5.6082 6.0110 6.0110 6.6683 6.6683 6.8501 6.8501 7.5711 7.5711 7.9636 7.9636 8.0232 8.0232 8.2659 8.2659 8.3696 8.3696 8.5289 8.5289 8.7977 8.7977 9.1654 9.1654 9.5062 9.5062 10.5102 10.5102 10.5578 10.5578 11.6807 11.6807 11.9170 11.9170 13.2487 13.2487 13.7870 13.7870 k = 0.1354 0.4729 0.4540 ( 3838 PWs) bands (ev): -17.1282 -17.1282 -4.5915 -4.5915 -3.4404 -3.4404 -2.0984 -2.0984 -1.3884 -1.3884 -0.9706 -0.9706 -0.7694 -0.7694 2.1534 2.1534 4.5327 4.5327 4.6064 4.6064 5.2460 5.2460 5.5859 5.5859 6.0827 6.0827 6.6718 6.6718 6.8834 6.8834 7.5654 7.5654 7.9589 7.9589 8.0192 8.0192 8.2560 8.2560 8.3634 8.3634 8.5166 8.5166 8.8132 8.8132 9.1706 9.1706 9.5646 9.5646 10.5144 10.5144 10.5411 10.5411 11.6723 11.6723 11.8706 11.8706 13.2634 13.2634 13.7535 13.7535 k = 0.1250 0.4794 0.4417 ( 3844 PWs) bands (ev): -17.1282 -17.1282 -4.5960 -4.5960 -3.4384 -3.4384 -2.0822 -2.0822 -1.3789 -1.3789 -0.9900 -0.9900 -0.7580 -0.7580 2.0995 2.0995 4.5621 4.5621 4.5861 4.5861 5.2303 5.2303 5.5630 5.5630 6.1507 6.1507 6.6755 6.6755 6.9175 6.9175 7.5582 7.5582 7.9541 7.9541 8.0156 8.0156 8.2451 8.2451 8.3573 8.3573 8.5020 8.5020 8.8334 8.8334 9.1756 9.1756 9.6272 9.6272 10.5112 10.5112 10.5225 10.5225 11.6776 11.6776 11.8271 11.8271 13.2691 13.2691 13.7206 13.7206 k = 0.1146 0.4859 0.4295 ( 3844 PWs) bands (ev): -17.1282 -17.1282 -4.6005 -4.6005 -3.4365 -3.4365 -2.0656 -2.0656 -1.3692 -1.3692 -1.0103 -1.0103 -0.7456 -0.7456 2.0455 2.0455 4.5586 4.5586 4.6034 4.6034 5.2144 5.2144 5.5397 5.5397 6.2146 6.2146 6.6791 6.6791 6.9520 6.9520 7.5496 7.5496 7.9491 7.9491 8.0126 8.0126 8.2334 8.2334 8.3516 8.3516 8.4865 8.4865 8.8571 8.8571 9.1805 9.1805 9.6932 9.6932 10.4809 10.4809 10.5231 10.5231 11.6944 11.6944 11.7874 11.7874 13.2687 13.2687 13.6891 13.6891 k = 0.1042 0.4924 0.4172 ( 3844 PWs) bands (ev): -17.1282 -17.1282 -4.6049 -4.6049 -3.4345 -3.4345 -2.0491 -2.0491 -1.3595 -1.3595 -1.0313 -1.0313 -0.7323 -0.7323 1.9921 1.9921 4.5420 4.5420 4.6380 4.6380 5.1982 5.1982 5.5161 5.5161 6.2738 6.2738 6.6828 6.6828 6.9867 6.9867 7.5396 7.5396 7.9438 7.9438 8.0105 8.0105 8.2206 8.2206 8.3464 8.3464 8.4710 8.4710 8.8832 8.8832 9.1854 9.1854 9.7619 9.7619 10.4432 10.4432 10.5245 10.5245 11.7178 11.7178 11.7542 11.7542 13.2650 13.2650 13.6597 13.6597 k = 0.0938 0.4989 0.4049 ( 3848 PWs) bands (ev): -17.1283 -17.1283 -4.6091 -4.6091 -3.4326 -3.4326 -2.0327 -2.0327 -1.3498 -1.3498 -1.0525 -1.0525 -0.7185 -0.7185 1.9404 1.9404 4.5272 4.5272 4.6743 4.6743 5.1818 5.1818 5.4925 5.4925 6.3280 6.3280 6.6865 6.6865 7.0211 7.0211 7.5284 7.5284 7.9380 7.9380 8.0094 8.0094 8.2071 8.2071 8.3419 8.3419 8.4562 8.4562 8.9106 8.9106 9.1900 9.1900 9.8323 9.8323 10.4022 10.4022 10.5244 10.5244 11.7141 11.7141 11.7589 11.7589 13.2607 13.2607 13.6330 13.6330 k = 0.0833 0.5054 0.3926 ( 3846 PWs) bands (ev): -17.1283 -17.1283 -4.6130 -4.6130 -3.4308 -3.4308 -2.0169 -2.0169 -1.3402 -1.3402 -1.0736 -1.0736 -0.7045 -0.7045 1.8912 1.8912 4.5146 4.5146 4.7116 4.7116 5.1651 5.1651 5.4692 5.4692 6.3769 6.3769 6.6899 6.6899 7.0550 7.0550 7.5161 7.5161 7.9316 7.9316 8.0096 8.0096 8.1930 8.1930 8.3381 8.3381 8.4426 8.4426 8.9385 8.9385 9.1945 9.1945 9.9035 9.9035 10.3600 10.3600 10.5224 10.5224 11.6892 11.6892 11.7929 11.7929 13.2577 13.2577 13.6097 13.6097 k = 0.0729 0.5118 0.3804 ( 3844 PWs) bands (ev): -17.1283 -17.1283 -4.6167 -4.6167 -3.4292 -3.4292 -2.0020 -2.0020 -1.3309 -1.3309 -1.0942 -1.0942 -0.6907 -0.6907 1.8453 1.8453 4.5040 4.5040 4.7492 4.7492 5.1481 5.1481 5.4466 5.4466 6.4203 6.4203 6.6932 6.6932 7.0879 7.0879 7.5029 7.5029 7.9247 7.9247 8.0112 8.0112 8.1783 8.1783 8.3351 8.3351 8.4304 8.4304 8.9660 8.9660 9.1989 9.1989 9.9742 9.9742 10.3183 10.3183 10.5179 10.5179 11.6676 11.6676 11.8295 11.8295 13.2579 13.2579 13.5903 13.5903 k = 0.0625 0.5183 0.3681 ( 3842 PWs) bands (ev): -17.1283 -17.1283 -4.6200 -4.6200 -3.4276 -3.4276 -1.9881 -1.9881 -1.3217 -1.3217 -1.1141 -1.1141 -0.6776 -0.6776 1.8036 1.8036 4.4953 4.4953 4.7868 4.7868 5.1305 5.1305 5.4250 5.4250 6.4580 6.4580 6.6962 6.6962 7.1195 7.1195 7.4890 7.4890 7.9175 7.9175 8.0144 8.0144 8.1634 8.1634 8.3331 8.3331 8.4197 8.4197 8.9922 8.9922 9.2029 9.2029 10.0430 10.0430 10.2791 10.2791 10.5105 10.5105 11.6506 11.6506 11.8650 11.8650 13.2621 13.2621 13.5755 13.5755 k = 0.0521 0.5248 0.3558 ( 3842 PWs) bands (ev): -17.1283 -17.1283 -4.6228 -4.6228 -3.4263 -3.4263 -1.9756 -1.9756 -1.3129 -1.3129 -1.1327 -1.1327 -0.6655 -0.6655 1.7667 1.7667 4.4882 4.4882 4.8241 4.8241 5.1121 5.1121 5.4052 5.4052 6.4900 6.4900 6.6989 6.6989 7.1492 7.1492 7.4748 7.4748 7.9103 7.9103 8.0191 8.0191 8.1484 8.1484 8.3320 8.3320 8.4105 8.4105 9.0163 9.0163 9.2067 9.2067 10.1083 10.1083 10.2442 10.2442 10.4997 10.4997 11.6380 11.6380 11.8975 11.8975 13.2707 13.2707 13.5661 13.5661 k = 0.0417 0.5313 0.3436 ( 3846 PWs) bands (ev): -17.1283 -17.1283 -4.6252 -4.6252 -3.4251 -3.4251 -1.9649 -1.9649 -1.3045 -1.3045 -1.1497 -1.1497 -0.6549 -0.6549 1.7355 1.7355 4.4827 4.4827 4.8608 4.8608 5.0923 5.0923 5.3876 5.3876 6.5161 6.5161 6.7012 6.7012 7.1765 7.1765 7.4606 7.4606 7.9034 7.9034 8.0251 8.0251 8.1338 8.1338 8.3315 8.3315 8.4027 8.4027 9.0374 9.0374 9.2101 9.2101 10.1640 10.1640 10.2198 10.2198 10.4850 10.4850 11.6294 11.6294 11.9256 11.9256 13.2830 13.2830 13.5624 13.5624 k = 0.0312 0.5378 0.3313 ( 3848 PWs) bands (ev): -17.1283 -17.1283 -4.6271 -4.6271 -3.4242 -3.4242 -1.9562 -1.9562 -1.2968 -1.2968 -1.1644 -1.1644 -0.6461 -0.6461 1.7105 1.7105 4.4785 4.4785 4.8963 4.8963 5.0710 5.0710 5.3730 5.3730 6.5365 6.5365 6.7030 6.7030 7.2003 7.2003 7.4472 7.4472 7.8975 7.8975 8.0323 8.0323 8.1198 8.1198 8.3316 8.3316 8.3964 8.3964 9.0548 9.0548 9.2130 9.2130 10.1740 10.1740 10.2422 10.2422 10.4659 10.4659 11.6241 11.6241 11.9481 11.9481 13.2974 13.2974 13.5646 13.5646 k = 0.0208 0.5443 0.3190 ( 3850 PWs) bands (ev): -17.1283 -17.1283 -4.6285 -4.6285 -3.4236 -3.4236 -1.9498 -1.9498 -1.2903 -1.2903 -1.1762 -1.1762 -0.6396 -0.6396 1.6923 1.6923 4.4756 4.4756 4.9304 4.9304 5.0476 5.0476 5.3621 5.3621 6.5509 6.5509 6.7044 6.7044 7.2194 7.2194 7.4357 7.4357 7.8929 7.8929 8.0401 8.0401 8.1072 8.1072 8.3320 8.3320 8.3918 8.3918 9.0678 9.0678 9.2152 9.2152 10.1590 10.1590 10.2908 10.2908 10.4419 10.4419 11.6212 11.6212 11.9646 11.9646 13.3112 13.3112 13.5719 13.5719 k = 0.0104 0.5507 0.3068 ( 3854 PWs) bands (ev): -17.1283 -17.1283 -4.6294 -4.6294 -3.4231 -3.4231 -1.9459 -1.9459 -1.2858 -1.2858 -1.1840 -1.1840 -0.6356 -0.6356 1.6812 1.6812 4.4739 4.4739 4.9624 4.9624 5.0223 5.0223 5.3553 5.3553 6.5596 6.5596 6.7052 6.7052 7.2320 7.2320 7.4277 7.4277 7.8900 7.8900 8.0469 8.0469 8.0974 8.0974 8.3324 8.3324 8.3889 8.3889 9.0757 9.0757 9.2166 9.2166 10.1481 10.1481 10.3368 10.3368 10.4126 10.4126 11.6198 11.6198 11.9745 11.9745 13.3214 13.3214 13.5809 13.5809 k = 0.0000 0.5572 0.2945 ( 3846 PWs) bands (ev): -17.1283 -17.1283 -4.6296 -4.6296 -3.4230 -3.4230 -1.9446 -1.9446 -1.2841 -1.2841 -1.1868 -1.1868 -0.6342 -0.6342 1.6774 1.6774 4.4734 4.4734 4.9868 4.9868 5.0002 5.0002 5.3530 5.3530 6.5625 6.5625 6.7055 6.7055 7.2365 7.2365 7.4248 7.4248 7.8890 7.8890 8.0500 8.0500 8.0934 8.0934 8.3326 8.3326 8.3880 8.3880 9.0784 9.0784 9.2171 9.2171 10.1443 10.1443 10.3758 10.3758 10.3794 10.3794 11.6195 11.6195 11.9779 11.9779 13.3252 13.3252 13.5853 13.5853 k = 0.0000 0.5572 0.2945 ( 3846 PWs) bands (ev): -17.1283 -17.1283 -4.6296 -4.6296 -3.4230 -3.4230 -1.9446 -1.9446 -1.2841 -1.2841 -1.1868 -1.1868 -0.6342 -0.6342 1.6774 1.6774 4.4734 4.4734 4.9868 4.9868 5.0002 5.0002 5.3530 5.3530 6.5625 6.5625 6.7055 6.7055 7.2365 7.2365 7.4248 7.4248 7.8890 7.8890 8.0500 8.0500 8.0934 8.0934 8.3326 8.3326 8.3880 8.3880 9.0784 9.0784 9.2171 9.2171 10.1443 10.1443 10.3758 10.3758 10.3794 10.3794 11.6195 11.6195 11.9779 11.9779 13.3252 13.3252 13.5853 13.5853 k =-0.0139 0.5524 0.3037 ( 3848 PWs) bands (ev): -17.1283 -17.1283 -4.6290 -4.6290 -3.4233 -3.4233 -1.9460 -1.9460 -1.2872 -1.2872 -1.1829 -1.1829 -0.6333 -0.6333 1.6745 1.6745 4.4644 4.4644 4.9875 4.9875 5.0093 5.0093 5.3553 5.3553 6.5620 6.5620 6.7068 6.7068 7.2368 7.2368 7.4253 7.4253 7.8890 7.8890 8.0502 8.0502 8.0933 8.0933 8.3326 8.3326 8.3882 8.3882 9.0771 9.0771 9.2198 9.2198 10.1322 10.1322 10.3787 10.3787 10.3914 10.3914 11.6203 11.6203 11.9797 11.9797 13.3269 13.3269 13.5854 13.5854 k =-0.0277 0.5475 0.3129 ( 3852 PWs) bands (ev): -17.1283 -17.1283 -4.6270 -4.6270 -3.4243 -3.4243 -1.9501 -1.9501 -1.2954 -1.2954 -1.1723 -1.1723 -0.6307 -0.6307 1.6657 1.6657 4.4395 4.4395 4.9903 4.9903 5.0337 5.0337 5.3623 5.3623 6.5604 6.5604 6.7110 6.7110 7.2378 7.2378 7.4268 7.4268 7.8889 7.8889 8.0508 8.0508 8.0929 8.0929 8.3326 8.3326 8.3888 8.3888 9.0730 9.0730 9.2279 9.2279 10.1018 10.1018 10.3839 10.3839 10.4247 10.4247 11.6228 11.6228 11.9854 11.9854 13.3318 13.3318 13.5859 13.5859 k =-0.0416 0.5426 0.3221 ( 3850 PWs) bands (ev): -17.1283 -17.1283 -4.6237 -4.6237 -3.4258 -3.4258 -1.9569 -1.9569 -1.3072 -1.3072 -1.1566 -1.1566 -0.6264 -0.6264 1.6511 1.6511 4.4028 4.4028 4.9955 4.9955 5.0685 5.0685 5.3745 5.3745 6.5577 6.5577 6.7179 6.7179 7.2394 7.2394 7.4294 7.4294 7.8887 7.8887 8.0519 8.0519 8.0923 8.0923 8.3330 8.3330 8.3899 8.3899 9.0662 9.0662 9.2414 9.2414 10.0622 10.0622 10.3922 10.3922 10.4696 10.4696 11.6270 11.6270 11.9947 11.9947 13.3399 13.3399 13.5872 13.5872 k =-0.0555 0.5378 0.3313 ( 3846 PWs) bands (ev): -17.1283 -17.1283 -4.6192 -4.6192 -3.4280 -3.4280 -1.9660 -1.9660 -1.3216 -1.3216 -1.1372 -1.1372 -0.6206 -0.6206 1.6310 1.6310 4.3587 4.3587 5.0028 5.0028 5.1087 5.1087 5.3923 5.3923 6.5539 6.5539 6.7275 6.7275 7.2416 7.2416 7.4329 7.4329 7.8879 7.8879 8.0536 8.0536 8.0916 8.0916 8.3340 8.3340 8.3913 8.3913 9.0565 9.0565 9.2605 9.2605 10.0187 10.0187 10.4033 10.4033 10.5206 10.5206 11.6327 11.6327 12.0075 12.0075 13.3512 13.3512 13.5900 13.5900 k =-0.0693 0.5329 0.3405 ( 3849 PWs) bands (ev): -17.1282 -17.1282 -4.6133 -4.6133 -3.4307 -3.4307 -1.9771 -1.9771 -1.3379 -1.3379 -1.1149 -1.1149 -0.6132 -0.6132 1.6055 1.6055 4.3107 4.3107 5.0123 5.0123 5.1499 5.1499 5.4164 5.4164 6.5492 6.5492 6.7398 6.7398 7.2444 7.2444 7.4373 7.4373 7.8863 7.8863 8.0559 8.0559 8.0911 8.0911 8.3360 8.3360 8.3930 8.3930 9.0442 9.0442 9.2849 9.2849 9.9740 9.9740 10.4170 10.4170 10.5751 10.5751 11.6399 11.6399 12.0236 12.0236 13.3652 13.3652 13.5948 13.5948 k =-0.0832 0.5280 0.3497 ( 3843 PWs) bands (ev): -17.1282 -17.1282 -4.6062 -4.6062 -3.4339 -3.4339 -1.9900 -1.9900 -1.3559 -1.3559 -1.0901 -1.0901 -0.6044 -0.6044 1.5750 1.5750 4.2611 4.2611 5.0239 5.0239 5.1888 5.1888 5.4474 5.4474 6.5436 6.5436 6.7545 6.7545 7.2476 7.2476 7.4426 7.4426 7.8836 7.8836 8.0586 8.0586 8.0912 8.0912 8.3396 8.3396 8.3950 8.3950 9.0298 9.0298 9.3143 9.3143 9.9293 9.9293 10.4329 10.4329 10.6319 10.6319 11.6483 11.6483 12.0427 12.0427 13.3817 13.3817 13.6023 13.6023 k =-0.0971 0.5232 0.3589 ( 3845 PWs) bands (ev): -17.1282 -17.1282 -4.5978 -4.5978 -3.4377 -3.4377 -2.0043 -2.0043 -1.3756 -1.3756 -1.0632 -1.0632 -0.5944 -0.5944 1.5399 1.5399 4.2117 4.2117 5.0375 5.0375 5.2232 5.2232 5.4854 5.4854 6.5370 6.5370 6.7717 6.7717 7.2512 7.2512 7.4485 7.4485 7.8794 7.8794 8.0612 8.0612 8.0924 8.0924 8.3451 8.3451 8.3971 8.3971 9.0137 9.0137 9.3481 9.3481 9.8855 9.8855 10.4504 10.4504 10.6904 10.6904 11.6578 11.6578 12.0646 12.0646 13.3999 13.3999 13.6130 13.6130 k =-0.1109 0.5183 0.3681 ( 3847 PWs) bands (ev): -17.1281 -17.1281 -4.5882 -4.5882 -3.4419 -3.4419 -2.0196 -2.0196 -1.3969 -1.3969 -1.0345 -1.0345 -0.5832 -0.5832 1.5003 1.5003 4.1637 4.1637 5.0531 5.0531 5.2526 5.2526 5.5295 5.5295 6.5296 6.5296 6.7910 6.7910 7.2552 7.2552 7.4550 7.4550 7.8735 7.8735 8.0630 8.0630 8.0956 8.0956 8.3530 8.3530 8.3993 8.3993 8.9964 8.9964 9.3860 9.3860 9.8431 9.8431 10.4690 10.4690 10.7502 10.7502 11.6683 11.6683 12.0889 12.0889 13.4188 13.4188 13.6272 13.6272 k =-0.1248 0.5135 0.3773 ( 3844 PWs) bands (ev): -17.1281 -17.1281 -4.5774 -4.5774 -3.4465 -3.4465 -2.0358 -2.0358 -1.4198 -1.4198 -1.0043 -1.0043 -0.5710 -0.5710 1.4569 1.4569 4.1179 4.1179 5.0707 5.0707 5.2771 5.2771 5.5782 5.5782 6.5214 6.5214 6.8124 6.8124 7.2593 7.2593 7.4619 7.4619 7.8659 7.8659 8.0634 8.0634 8.1013 8.1013 8.3637 8.3637 8.4016 8.4016 8.9787 8.9787 9.4273 9.4273 9.8026 9.8026 10.4885 10.4885 10.8111 10.8111 11.6794 11.6794 12.1151 12.1151 13.4368 13.4368 13.6451 13.6451 k =-0.1387 0.5086 0.3865 ( 3842 PWs) bands (ev): -17.1280 -17.1280 -4.5654 -4.5654 -3.4515 -3.4515 -2.0525 -2.0525 -1.4442 -1.4442 -0.9728 -0.9728 -0.5579 -0.5579 1.4100 1.4100 4.0750 4.0750 5.0902 5.0902 5.2975 5.2975 5.6297 5.6297 6.5125 6.5125 6.8356 6.8356 7.2637 7.2637 7.4691 7.4691 7.8567 7.8567 8.0625 8.0625 8.1092 8.1092 8.3776 8.3776 8.4038 8.4038 8.9609 8.9609 9.4710 9.4710 9.7649 9.7649 10.5082 10.5082 10.8728 10.8728 11.6910 11.6910 12.1431 12.1431 13.4512 13.4512 13.6669 13.6669 k =-0.1525 0.5037 0.3957 ( 3840 PWs) bands (ev): -17.1280 -17.1280 -4.5523 -4.5523 -3.4568 -3.4568 -2.0695 -2.0695 -1.4700 -1.4700 -0.9404 -0.9404 -0.5441 -0.5441 1.3599 1.3599 4.0355 4.0355 5.1114 5.1114 5.3145 5.3145 5.6824 5.6824 6.5030 6.5030 6.8603 6.8603 7.2682 7.2682 7.4763 7.4763 7.8461 7.8461 8.0605 8.0605 8.1185 8.1185 8.3944 8.3944 8.4062 8.4062 8.9437 8.9437 9.5155 9.5155 9.7315 9.7315 10.5277 10.5277 10.9351 10.9351 11.7029 11.7029 12.1723 12.1723 13.4577 13.4577 13.6925 13.6925 k =-0.1664 0.4989 0.4049 ( 3840 PWs) bands (ev): -17.1279 -17.1279 -4.5380 -4.5380 -3.4624 -3.4624 -2.0866 -2.0866 -1.4973 -1.4973 -0.9073 -0.9073 -0.5296 -0.5296 1.3072 1.3072 3.9998 3.9998 5.1345 5.1345 5.3285 5.3285 5.7352 5.7352 6.4928 6.4928 6.8863 6.8863 7.2726 7.2726 7.4835 7.4835 7.8342 7.8342 8.0579 8.0579 8.1285 8.1285 8.4055 8.4055 8.4175 8.4175 8.9277 8.9277 9.5563 9.5563 9.7066 9.7066 10.5466 10.5466 10.9980 10.9980 11.7149 11.7149 12.2024 12.2024 13.4506 13.4506 13.7218 13.7218 k =-0.1803 0.4940 0.4141 ( 3838 PWs) bands (ev): -17.1279 -17.1279 -4.5227 -4.5227 -3.4682 -3.4682 -2.1036 -2.1036 -1.5259 -1.5259 -0.8737 -0.8737 -0.5145 -0.5145 1.2523 1.2523 3.9683 3.9683 5.1591 5.1591 5.3400 5.3400 5.7872 5.7872 6.4821 6.4821 6.9133 6.9133 7.2770 7.2770 7.4904 7.4904 7.8213 7.8213 8.0549 8.0549 8.1385 8.1385 8.4067 8.4067 8.4419 8.4419 8.9134 8.9134 9.5809 9.5809 9.7026 9.7026 10.5645 10.5645 11.0612 11.0612 11.7268 11.7268 12.2330 12.2330 13.4235 13.4235 13.7545 13.7545 k =-0.1941 0.4891 0.4233 ( 3837 PWs) bands (ev): -17.1278 -17.1278 -4.5063 -4.5063 -3.4742 -3.4742 -2.1205 -2.1205 -1.5558 -1.5558 -0.8399 -0.8399 -0.4989 -0.4989 1.1954 1.1954 3.9412 3.9412 5.1853 5.1853 5.3491 5.3491 5.8376 5.8376 6.4708 6.4708 6.9411 6.9411 7.2814 7.2814 7.4968 7.4968 7.8077 7.8077 8.0515 8.0515 8.1483 8.1483 8.4064 8.4064 8.4705 8.4705 8.9012 8.9012 9.5774 9.5774 9.7308 9.7308 10.5809 10.5809 11.1245 11.1245 11.7384 11.7384 12.2637 12.2637 13.3729 13.3729 13.7901 13.7901 k =-0.2080 0.4843 0.4325 ( 3843 PWs) bands (ev): -17.1277 -17.1277 -4.4890 -4.4890 -3.4803 -3.4803 -2.1370 -2.1370 -1.5867 -1.5867 -0.8060 -0.8060 -0.4828 -0.4828 1.1372 1.1372 3.9188 3.9188 5.2128 5.2128 5.3561 5.3561 5.8859 5.8859 6.4590 6.4590 6.9692 6.9692 7.2855 7.2855 7.5025 7.5025 7.7937 7.7937 8.0478 8.0478 8.1573 8.1573 8.4047 8.4047 8.5027 8.5027 8.8917 8.8917 9.5582 9.5582 9.7790 9.7790 10.5956 10.5956 11.1877 11.1877 11.7496 11.7496 12.2943 12.2943 13.3010 13.3010 13.8276 13.8276 k =-0.2219 0.4794 0.4417 ( 3835 PWs) bands (ev): -17.1277 -17.1277 -4.4707 -4.4707 -3.4865 -3.4865 -2.1531 -2.1531 -1.6187 -1.6187 -0.7723 -0.7723 -0.4665 -0.4665 1.0779 1.0779 3.9011 3.9011 5.2414 5.2414 5.3611 5.3611 5.9319 5.9319 6.4468 6.4468 6.9976 6.9976 7.2895 7.2895 7.5075 7.5075 7.7794 7.7794 8.0439 8.0439 8.1655 8.1655 8.4017 8.4017 8.5383 8.5383 8.8852 8.8852 9.5347 9.5347 9.8349 9.8349 10.6080 10.6080 11.2506 11.2506 11.7603 11.7603 12.3245 12.3245 13.2147 13.2147 13.8656 13.8656 k =-0.2357 0.4746 0.4509 ( 3837 PWs) bands (ev): -17.1276 -17.1276 -4.4516 -4.4516 -3.4927 -3.4927 -2.1687 -2.1687 -1.6516 -1.6516 -0.7389 -0.7389 -0.4498 -0.4498 1.0180 1.0180 3.8882 3.8882 5.2709 5.2709 5.3645 5.3645 5.9751 5.9751 6.4343 6.4343 7.0259 7.0259 7.2932 7.2932 7.5114 7.5114 7.7650 7.7650 8.0398 8.0398 8.1726 8.1726 8.3970 8.3970 8.5766 8.5766 8.8820 8.8820 9.5110 9.5110 9.8944 9.8944 10.6179 10.6179 11.3128 11.3128 11.7705 11.7705 12.3540 12.3540 13.1216 13.1216 13.9018 13.9018 k =-0.2496 0.4697 0.4601 ( 3838 PWs) bands (ev): -17.1276 -17.1276 -4.4317 -4.4317 -3.4990 -3.4990 -2.1838 -2.1838 -1.6852 -1.6852 -0.7061 -0.7061 -0.4328 -0.4328 0.9578 0.9578 3.8802 3.8802 5.3004 5.3004 5.3667 5.3667 6.0154 6.0154 6.4214 6.4214 7.0539 7.0539 7.2967 7.2967 7.5143 7.5143 7.7508 7.7508 8.0356 8.0356 8.1787 8.1787 8.3907 8.3907 8.6172 8.6172 8.8821 8.8821 9.4883 9.4883 9.9554 9.9554 10.6249 10.6249 11.3740 11.3740 11.7801 11.7801 12.3827 12.3827 13.0279 13.0279 13.9313 13.9317 k =-0.2635 0.4648 0.4693 ( 3845 PWs) bands (ev): -17.1275 -17.1275 -4.4110 -4.4110 -3.5052 -3.5052 -2.1983 -2.1983 -1.7195 -1.7195 -0.6741 -0.6741 -0.4156 -0.4156 0.8977 0.8977 3.8771 3.8771 5.3274 5.3274 5.3704 5.3704 6.0527 6.0527 6.4082 6.4082 7.0816 7.0816 7.3000 7.3000 7.5160 7.5160 7.7366 7.7366 8.0314 8.0314 8.1836 8.1836 8.3827 8.3827 8.6594 8.6594 8.8857 8.8857 9.4670 9.4670 10.0169 10.0169 10.6287 10.6287 11.4336 11.4336 11.7893 11.7893 12.4103 12.4103 12.9379 12.9379 13.9410 13.9410 k =-0.2773 0.4600 0.4785 ( 3837 PWs) bands (ev): -17.1274 -17.1274 -4.3897 -4.3897 -3.5114 -3.5114 -2.2121 -2.2121 -1.7543 -1.7543 -0.6430 -0.6430 -0.3981 -0.3981 0.8381 0.8381 3.8788 3.8788 5.3429 5.3429 5.3843 5.3843 6.0869 6.0869 6.3947 6.3947 7.1086 7.1086 7.3030 7.3030 7.5165 7.5165 7.7230 7.7230 8.0271 8.0271 8.1875 8.1875 8.3732 8.3732 8.7027 8.7027 8.8926 8.8926 9.4476 9.4476 10.0779 10.0779 10.6291 10.6291 11.4914 11.4914 11.7979 11.7979 12.4367 12.4367 12.8547 12.8547 13.9360 13.9360 k =-0.2912 0.4551 0.4877 ( 3839 PWs) bands (ev): -17.1274 -17.1274 -4.3678 -4.3678 -3.5175 -3.5175 -2.2253 -2.2253 -1.7895 -1.7895 -0.6130 -0.6130 -0.3804 -0.3804 0.7793 0.7793 3.8853 3.8853 5.3439 5.3439 5.4113 5.4113 6.1179 6.1179 6.3812 6.3812 7.1349 7.1349 7.3057 7.3057 7.5158 7.5158 7.7097 7.7097 8.0226 8.0226 8.1902 8.1902 8.3624 8.3624 8.7462 8.7462 8.9028 8.9028 9.4299 9.4299 10.1374 10.1374 10.6258 10.6258 11.5466 11.5466 11.8062 11.8062 12.4621 12.4621 12.7809 12.7809 13.9269 13.9269 k =-0.3051 0.4502 0.4969 ( 3838 PWs) bands (ev): -17.1273 -17.1273 -4.3455 -4.3455 -3.5235 -3.5235 -2.2378 -2.2378 -1.8248 -1.8248 -0.5844 -0.5844 -0.3625 -0.3625 0.7218 0.7218 3.8964 3.8964 5.3386 5.3386 5.4429 5.4429 6.1456 6.1456 6.3676 6.3676 7.1603 7.1603 7.3082 7.3082 7.5138 7.5138 7.6969 7.6969 8.0182 8.0182 8.1917 8.1917 8.3504 8.3504 8.7897 8.7897 8.9158 8.9158 9.4139 9.4139 10.1944 10.1944 10.6186 10.6186 11.5986 11.5986 11.8143 11.8143 12.4863 12.4863 12.7181 12.7181 13.9149 13.9149 k =-0.3190 0.4454 0.5061 ( 3842 PWs) bands (ev): -17.1273 -17.1273 -4.3228 -4.3228 -3.5294 -3.5294 -2.2496 -2.2496 -1.8601 -1.8601 -0.5574 -0.5574 -0.3443 -0.3443 0.6660 0.6660 3.9119 3.9119 5.3303 5.3303 5.4758 5.4758 6.1700 6.1700 6.3539 6.3539 7.1846 7.1846 7.3104 7.3104 7.5107 7.5107 7.6847 7.6847 8.0138 8.0138 8.1920 8.1920 8.3375 8.3375 8.8324 8.8324 8.9314 8.9314 9.3997 9.3997 10.2477 10.2477 10.6077 10.6077 11.6467 11.6467 11.8222 11.8222 12.5097 12.5097 12.6679 12.6679 13.9004 13.9004 k =-0.3328 0.4405 0.5153 ( 3840 PWs) bands (ev): -17.1272 -17.1272 -4.2999 -4.2999 -3.5352 -3.5352 -2.2607 -2.2607 -1.8952 -1.8952 -0.5322 -0.5322 -0.3259 -0.3259 0.6122 0.6122 3.9317 3.9317 5.3198 5.3198 5.5089 5.5089 6.1911 6.1911 6.3405 6.3405 7.2078 7.2078 7.3124 7.3124 7.5067 7.5067 7.6731 7.6731 8.0095 8.0095 8.1913 8.1913 8.3240 8.3240 8.8739 8.8739 8.9494 8.9494 9.3871 9.3871 10.2962 10.2962 10.5929 10.5929 11.6901 11.6901 11.8302 11.8302 12.5325 12.5325 12.6313 12.6313 13.8837 13.8837 k =-0.3467 0.4356 0.5245 ( 3836 PWs) bands (ev): -17.1272 -17.1272 -4.2768 -4.2768 -3.5408 -3.5408 -2.2712 -2.2712 -1.9299 -1.9299 -0.5090 -0.5090 -0.3074 -0.3074 0.5610 0.5610 3.9554 3.9554 5.3072 5.3072 5.5417 5.5417 6.2089 6.2089 6.3274 6.3274 7.2295 7.2295 7.3142 7.3142 7.5019 7.5019 7.6621 7.6621 8.0052 8.0052 8.1896 8.1896 8.3101 8.3101 8.9139 8.9139 8.9693 8.9693 9.3762 9.3762 10.3385 10.3385 10.5745 10.5745 11.7283 11.7283 11.8383 11.8383 12.5553 12.5553 12.6091 12.6091 13.8649 13.8649 k =-0.3606 0.4308 0.5337 ( 3834 PWs) bands (ev): -17.1272 -17.1272 -4.2537 -4.2537 -3.5464 -3.5464 -2.2809 -2.2809 -1.9641 -1.9641 -0.4880 -0.4880 -0.2889 -0.2889 0.5129 0.5129 3.9828 3.9828 5.2929 5.2929 5.5737 5.5737 6.2232 6.2232 6.3151 6.3151 7.2493 7.2493 7.3158 7.3158 7.4965 7.4965 7.6517 7.6517 8.0009 8.0009 8.1869 8.1869 8.2960 8.2960 8.9520 8.9520 8.9909 8.9909 9.3669 9.3669 10.3734 10.3734 10.5527 10.5527 11.7605 11.7605 11.8468 11.8468 12.5787 12.5787 12.6013 12.6013 13.8442 13.8442 k =-0.3744 0.4259 0.5430 ( 3839 PWs) bands (ev): -17.1272 -17.1272 -4.2308 -4.2308 -3.5518 -3.5518 -2.2900 -2.2900 -1.9974 -1.9974 -0.4694 -0.4694 -0.2707 -0.2707 0.4684 0.4684 4.0136 4.0136 5.2769 5.2769 5.6046 5.6046 6.2340 6.2340 6.3038 6.3038 7.2668 7.2668 7.3174 7.3174 7.4911 7.4911 7.6419 7.6419 7.9967 7.9967 8.1833 8.1833 8.2820 8.2820 8.9879 8.9879 9.0138 9.0138 9.3589 9.3589 10.3998 10.3998 10.5280 10.5280 11.7865 11.7865 11.8558 11.8558 12.6034 12.6034 12.6076 12.6076 13.8219 13.8219 k =-0.3883 0.4211 0.5522 ( 3838 PWs) bands (ev): -17.1271 -17.1271 -4.2082 -4.2082 -3.5570 -3.5570 -2.2983 -2.2983 -2.0298 -2.0298 -0.4534 -0.4534 -0.2532 -0.2532 0.4284 0.4284 4.0475 4.0475 5.2594 5.2594 5.6339 5.6339 6.2409 6.2409 6.2942 6.2942 7.2813 7.2813 7.3192 7.3192 7.4862 7.4862 7.6328 7.6328 7.9926 7.9926 8.1791 8.1791 8.2682 8.2682 9.0212 9.0212 9.0381 9.0381 9.3524 9.3524 10.4168 10.4168 10.5009 10.5009 11.8063 11.8063 11.8652 11.8652 12.6258 12.6258 12.6317 12.6317 13.7979 13.7979 k =-0.4022 0.4162 0.5614 ( 3834 PWs) bands (ev): -17.1271 -17.1271 -4.1860 -4.1860 -3.5621 -3.5621 -2.3060 -2.3060 -2.0609 -2.0609 -0.4401 -0.4401 -0.2369 -0.2369 0.3937 0.3937 4.0840 4.0840 5.2404 5.2404 5.6610 5.6610 6.2437 6.2437 6.2869 6.2869 7.2918 7.2918 7.3214 7.3214 7.4824 7.4824 7.6244 7.6244 7.9887 7.9887 8.1745 8.1745 8.2548 8.2548 9.0512 9.0512 9.0637 9.0637 9.3472 9.3472 10.4235 10.4235 10.4720 10.4720 11.8204 11.8204 11.8742 11.8742 12.6561 12.6561 12.6630 12.6630 13.7723 13.7723 k =-0.4160 0.4113 0.5706 ( 3832 PWs) bands (ev): -17.1271 -17.1271 -4.1645 -4.1645 -3.5671 -3.5671 -2.3130 -2.3130 -2.0905 -2.0905 -0.4295 -0.4295 -0.2226 -0.2226 0.3651 0.3651 4.1227 4.1227 5.2202 5.2202 5.6855 5.6855 6.2429 6.2429 6.2820 6.2820 7.2975 7.2975 7.3240 7.3240 7.4806 7.4806 7.6168 7.6168 7.9848 7.9848 8.1696 8.1696 8.2421 8.2421 9.0779 9.0779 9.0906 9.0906 9.3434 9.3434 10.4194 10.4194 10.4422 10.4422 11.8298 11.8298 11.8820 11.8820 12.6959 12.6959 12.6991 12.6991 13.7451 13.7451 k =-0.4299 0.4065 0.5798 ( 3832 PWs) bands (ev): -17.1271 -17.1271 -4.1438 -4.1438 -3.5720 -3.5720 -2.3193 -2.3193 -2.1184 -2.1184 -0.4219 -0.4219 -0.2110 -0.2110 0.3437 0.3437 4.1631 4.1631 5.1989 5.1989 5.7068 5.7068 6.2399 6.2399 6.2783 6.2783 7.2991 7.2991 7.3255 7.3255 7.4813 7.4813 7.6098 7.6098 7.9809 7.9809 8.1646 8.1646 8.2303 8.2303 9.1020 9.1020 9.1173 9.1173 9.3410 9.3410 10.4031 10.4031 10.4136 10.4136 11.8352 11.8352 11.8872 11.8872 12.7405 12.7405 12.7442 12.7442 13.7162 13.7162 k =-0.4438 0.4016 0.5890 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1242 -4.1242 -3.5767 -3.5767 -2.3249 -2.3249 -2.1443 -2.1443 -0.4172 -0.4172 -0.2027 -0.2027 0.3302 0.3302 4.2049 4.2049 5.1769 5.1769 5.7243 5.7243 6.2362 6.2362 6.2750 6.2750 7.2976 7.2976 7.3247 7.3247 7.4851 7.4851 7.6037 7.6037 7.9773 7.9773 8.1598 8.1598 8.2194 8.2194 9.1241 9.1241 9.1429 9.1429 9.3398 9.3398 10.3753 10.3753 10.3865 10.3865 11.8372 11.8372 11.8894 11.8894 12.7881 12.7881 12.7986 12.7986 13.6852 13.6852 k =-0.4438 0.4016 0.5890 ( 3836 PWs) bands (ev): -17.1271 -17.1271 -4.1242 -4.1242 -3.5767 -3.5767 -2.3249 -2.3249 -2.1443 -2.1443 -0.4172 -0.4172 -0.2027 -0.2027 0.3302 0.3302 4.2049 4.2049 5.1769 5.1769 5.7243 5.7243 6.2362 6.2362 6.2750 6.2750 7.2976 7.2976 7.3247 7.3247 7.4851 7.4851 7.6037 7.6037 7.9773 7.9773 8.1598 8.1598 8.2194 8.2194 9.1241 9.1241 9.1429 9.1429 9.3398 9.3398 10.3753 10.3753 10.3865 10.3865 11.8372 11.8372 11.8894 11.8894 12.7881 12.7881 12.7986 12.7986 13.6852 13.6852 k =-0.4518 0.3887 0.5890 ( 3828 PWs) bands (ev): -17.1272 -17.1272 -4.1000 -4.1000 -3.5827 -3.5827 -2.3314 -2.3314 -2.1756 -2.1756 -0.4132 -0.4132 -0.1946 -0.1946 0.3188 0.3188 4.2597 4.2597 5.1466 5.1466 5.7434 5.7434 6.2317 6.2317 6.2708 6.2708 7.2942 7.2942 7.3219 7.3219 7.4915 7.4915 7.5968 7.5968 7.9728 7.9728 8.1538 8.1538 8.2066 8.2066 9.1514 9.1514 9.1747 9.1747 9.3392 9.3392 10.3355 10.3355 10.3499 10.3499 11.8382 11.8382 11.8904 11.8904 12.8545 12.8545 12.8749 12.8749 13.6410 13.6410 k =-0.4598 0.3758 0.5890 ( 3828 PWs) bands (ev): -17.1272 -17.1272 -4.0783 -4.0783 -3.5882 -3.5882 -2.3369 -2.3369 -2.2031 -2.2031 -0.4098 -0.4098 -0.1877 -0.1877 0.3091 0.3091 4.3114 4.3114 5.1158 5.1158 5.7600 5.7600 6.2279 6.2279 6.2672 6.2672 7.2910 7.2910 7.3193 7.3193 7.4971 7.4971 7.5907 7.5907 7.9689 7.9689 8.1485 8.1485 8.1955 8.1955 9.1762 9.1762 9.2040 9.2040 9.3384 9.3384 10.2990 10.2990 10.3166 10.3166 11.8396 11.8396 11.8918 11.8918 12.9195 12.9195 12.9502 12.9502 13.5943 13.5943 k =-0.4679 0.3629 0.5890 ( 3844 PWs) bands (ev): -17.1272 -17.1272 -4.0594 -4.0594 -3.5933 -3.5933 -2.3414 -2.3414 -2.2263 -2.2263 -0.4070 -0.4070 -0.1820 -0.1820 0.3012 0.3012 4.3587 4.3587 5.0858 5.0858 5.7737 5.7737 6.2247 6.2247 6.2642 6.2642 7.2883 7.2883 7.3171 7.3171 7.5017 7.5017 7.5856 7.5856 7.9657 7.9657 8.1440 8.1440 8.1861 8.1861 9.1979 9.1979 9.2298 9.2298 9.3376 9.3376 10.2668 10.2668 10.2876 10.2876 11.8412 11.8412 11.8933 11.8933 12.9823 12.9823 13.0210 13.0210 13.5461 13.5461 k =-0.4759 0.3500 0.5890 ( 3840 PWs) bands (ev): -17.1272 -17.1272 -4.0441 -4.0441 -3.5975 -3.5975 -2.3449 -2.3449 -2.2448 -2.2448 -0.4048 -0.4048 -0.1775 -0.1775 0.2950 0.2950 4.3996 4.3996 5.0584 5.0584 5.7845 5.7845 6.2223 6.2223 6.2620 6.2620 7.2861 7.2861 7.3153 7.3153 7.5054 7.5054 7.5816 7.5816 7.9631 7.9631 8.1404 8.1404 8.1790 8.1790 9.2159 9.2159 9.2513 9.2513 9.3370 9.3370 10.2402 10.2402 10.2637 10.2637 11.8427 11.8427 11.8948 11.8948 13.0415 13.0415 13.0834 13.0834 13.4981 13.4981 k =-0.4839 0.3371 0.5890 ( 3836 PWs) bands (ev): -17.1272 -17.1272 -4.0327 -4.0327 -3.6007 -3.6007 -2.3474 -2.3474 -2.2583 -2.2583 -0.4032 -0.4032 -0.1742 -0.1742 0.2906 0.2906 4.4318 4.4318 5.0360 5.0360 5.7923 5.7923 6.2205 6.2205 6.2603 6.2603 7.2845 7.2845 7.3140 7.3140 7.5081 7.5081 7.5786 7.5786 7.9612 7.9612 8.1377 8.1377 8.1737 8.1737 9.2294 9.2294 9.2676 9.2676 9.3365 9.3365 10.2202 10.2202 10.2459 10.2459 11.8439 11.8439 11.8960 11.8960 13.0941 13.0941 13.1329 13.1329 13.4533 13.4533 k =-0.4920 0.3242 0.5890 ( 3832 PWs) bands (ev): -17.1272 -17.1272 -4.0257 -4.0257 -3.6027 -3.6027 -2.3489 -2.3489 -2.2665 -2.2665 -0.4022 -0.4022 -0.1723 -0.1723 0.2879 0.2879 4.4526 4.4526 5.0210 5.0210 5.7970 5.7970 6.2194 6.2194 6.2593 6.2593 7.2836 7.2836 7.3132 7.3132 7.5098 7.5098 7.5768 7.5768 7.9601 7.9601 8.1362 8.1362 8.1705 8.1705 9.2378 9.2378 9.2778 9.2778 9.3360 9.3360 10.2078 10.2078 10.2349 10.2349 11.8446 11.8446 11.8967 11.8967 13.1340 13.1340 13.1650 13.1650 13.4181 13.4181 k =-0.5000 0.3113 0.5890 ( 3820 PWs) bands (ev): -17.1272 -17.1272 -4.0233 -4.0233 -3.6034 -3.6034 -2.3494 -2.3494 -2.2692 -2.2692 -0.4019 -0.4019 -0.1716 -0.1716 0.2870 0.2870 4.4599 4.4599 5.0157 5.0157 5.7986 5.7986 6.2192 6.2192 6.2591 6.2591 7.2833 7.2833 7.3130 7.3130 7.5104 7.5104 7.5762 7.5762 7.9598 7.9598 8.1356 8.1356 8.1695 8.1695 9.2406 9.2406 9.2813 9.2813 9.3359 9.3359 10.2035 10.2035 10.2312 10.2312 11.8449 11.8449 11.8970 11.8970 13.1497 13.1497 13.1761 13.1761 13.4039 13.4039 k = 0.0000 0.0000 0.5890 ( 3850 PWs) bands (ev): -17.1309 -17.1309 -4.0137 -4.0137 -3.6771 -3.6771 -2.5703 -2.5703 -1.9893 -1.9893 -0.6943 -0.6943 -0.5186 -0.5186 2.5006 2.5006 4.5555 4.5555 4.7573 4.7573 5.0075 5.0075 5.3029 5.3029 6.2831 6.2831 6.4778 6.4778 6.9099 6.9099 7.7196 7.7196 7.8370 7.8370 7.8906 7.8906 8.3792 8.3792 8.3991 8.3991 8.4859 8.4859 8.8024 8.8024 9.2822 9.2822 9.4476 9.4476 10.7549 10.7549 10.8187 10.8187 12.2436 12.2436 12.4154 12.4154 12.4758 12.4758 13.0251 13.0251 k = 0.0089 0.0143 0.5890 ( 3842 PWs) bands (ev): -17.1309 -17.1309 -4.0169 -4.0169 -3.6754 -3.6754 -2.5683 -2.5683 -1.9879 -1.9879 -0.6946 -0.6946 -0.5200 -0.5200 2.5007 2.5007 4.5555 4.5555 4.7580 4.7580 5.0069 5.0069 5.3056 5.3056 6.2813 6.2813 6.4758 6.4758 6.9100 6.9100 7.7200 7.7200 7.8301 7.8301 7.8986 7.8986 8.3784 8.3784 8.3986 8.3986 8.4858 8.4858 8.8014 8.8014 9.2825 9.2825 9.4494 9.4494 10.7560 10.7560 10.8114 10.8114 12.2442 12.2442 12.4150 12.4150 12.4846 12.4846 13.0282 13.0282 k = 0.0179 0.0287 0.5890 ( 3834 PWs) bands (ev): -17.1308 -17.1308 -4.0263 -4.0263 -3.6706 -3.6706 -2.5626 -2.5626 -1.9836 -1.9836 -0.6956 -0.6956 -0.5239 -0.5239 2.5008 2.5008 4.5557 4.5557 4.7600 4.7600 5.0054 5.0054 5.3135 5.3135 6.2760 6.2760 6.4701 6.4701 6.9105 6.9105 7.7214 7.7214 7.8154 7.8154 7.9161 7.9161 8.3760 8.3760 8.3967 8.3967 8.4856 8.4856 8.7983 8.7983 9.2835 9.2835 9.4548 9.4548 10.7589 10.7589 10.7901 10.7901 12.2460 12.2460 12.4138 12.4138 12.5105 12.5105 13.0375 13.0375 k = 0.0268 0.0430 0.5890 ( 3838 PWs) bands (ev): -17.1308 -17.1308 -4.0413 -4.0413 -3.6631 -3.6631 -2.5533 -2.5533 -1.9764 -1.9764 -0.6974 -0.6974 -0.5305 -0.5305 2.5009 2.5009 4.5559 4.5559 4.7633 4.7633 5.0027 5.0027 5.3264 5.3264 6.2672 6.2672 6.4607 6.4607 6.9111 6.9111 7.7237 7.7237 7.7987 7.7987 7.9376 7.9376 8.3722 8.3722 8.3935 8.3935 8.4852 8.4852 8.7930 8.7930 9.2847 9.2847 9.4634 9.4634 10.7525 10.7525 10.7671 10.7671 12.2491 12.2491 12.4118 12.4118 12.5522 12.5522 13.0523 13.0524 k = 0.0357 0.0574 0.5890 ( 3830 PWs) bands (ev): -17.1307 -17.1307 -4.0608 -4.0608 -3.6537 -3.6537 -2.5407 -2.5407 -1.9663 -1.9663 -0.6998 -0.6998 -0.5394 -0.5394 2.5011 2.5011 4.5560 4.5560 4.7681 4.7681 4.9991 4.9991 5.3444 5.3444 6.2551 6.2551 6.4477 6.4477 6.9118 6.9118 7.7270 7.7270 7.7820 7.7820 7.9612 7.9612 8.3671 8.3671 8.3890 8.3890 8.4848 8.4848 8.7859 8.7859 9.2862 9.2862 9.4757 9.4757 10.7083 10.7083 10.7728 10.7728 12.2534 12.2534 12.4091 12.4091 12.6077 12.6077 13.0714 13.0714 k = 0.0446 0.0717 0.5890 ( 3826 PWs) bands (ev): -17.1307 -17.1307 -4.0841 -4.0841 -3.6430 -3.6430 -2.5254 -2.5254 -1.9532 -1.9532 -0.7029 -0.7029 -0.5507 -0.5507 2.5014 2.5014 4.5560 4.5560 4.7742 4.7742 4.9947 4.9947 5.3671 5.3671 6.2399 6.2399 6.4312 6.4312 6.9127 6.9127 7.7310 7.7310 7.7657 7.7657 7.9863 7.9863 8.3610 8.3610 8.3833 8.3833 8.4842 8.4842 8.7770 8.7770 9.2876 9.2876 9.4913 9.4913 10.6535 10.6535 10.7818 10.7818 12.2589 12.2589 12.4057 12.4057 12.6749 12.6749 13.0928 13.0928 k = 0.0536 0.0861 0.5890 ( 3826 PWs) bands (ev): -17.1306 -17.1306 -4.1101 -4.1101 -3.6315 -3.6315 -2.5079 -2.5079 -1.9372 -1.9372 -0.7067 -0.7067 -0.5640 -0.5640 2.5018 2.5018 4.5556 4.5556 4.7817 4.7817 4.9897 4.9897 5.3942 5.3942 6.2219 6.2219 6.4116 6.4116 6.9136 6.9136 7.7357 7.7357 7.7502 7.7502 8.0127 8.0127 8.3541 8.3541 8.3764 8.3764 8.4835 8.4835 8.7664 8.7664 9.2888 9.2888 9.5102 9.5102 10.5913 10.5913 10.7925 10.7925 12.2656 12.2656 12.4016 12.4016 12.7519 12.7519 13.1132 13.1132 k = 0.0625 0.1004 0.5890 ( 3826 PWs) bands (ev): -17.1305 -17.1305 -4.1381 -4.1381 -3.6195 -3.6195 -2.4887 -2.4887 -1.9183 -1.9183 -0.7112 -0.7112 -0.5792 -0.5792 2.5022 2.5022 4.5547 4.5547 4.7906 4.7906 4.9843 4.9843 5.4253 5.4253 6.2012 6.2012 6.3892 6.3892 6.9144 6.9144 7.7335 7.7335 7.7431 7.7431 8.0403 8.0403 8.3466 8.3466 8.3685 8.3685 8.4827 8.4827 8.7543 8.7543 9.2896 9.2896 9.5321 9.5321 10.5236 10.5236 10.8045 10.8045 12.2733 12.2733 12.3969 12.3969 12.8368 12.8368 13.1280 13.1280 k = 0.0714 0.1147 0.5890 ( 3834 PWs) bands (ev): -17.1304 -17.1304 -4.1675 -4.1675 -3.6075 -3.6075 -2.4683 -2.4683 -1.8965 -1.8965 -0.7165 -0.7165 -0.5958 -0.5958 2.5026 2.5026 4.5530 4.5530 4.8010 4.8010 4.9786 4.9786 5.4598 5.4598 6.1783 6.1783 6.3644 6.3644 6.9150 6.9150 7.7196 7.7196 7.7492 7.7492 8.0692 8.0692 8.3386 8.3386 8.3596 8.3596 8.4817 8.4817 8.7411 8.7411 9.2898 9.2898 9.5568 9.5568 10.4518 10.4518 10.8174 10.8174 12.2820 12.2820 12.3916 12.3916 12.9277 12.9277 13.1314 13.1314 k = 0.0804 0.1291 0.5890 ( 3838 PWs) bands (ev): -17.1302 -17.1302 -4.1977 -4.1977 -3.5954 -3.5954 -2.4474 -2.4474 -1.8720 -1.8720 -0.7226 -0.7226 -0.6135 -0.6135 2.5030 2.5030 4.5503 4.5503 4.8130 4.8130 4.9731 4.9731 5.4972 5.4972 6.1534 6.1534 6.3376 6.3376 6.9153 6.9153 7.7059 7.7059 7.7567 7.7567 8.0992 8.0992 8.3302 8.3302 8.3502 8.3502 8.4806 8.4806 8.7267 8.7267 9.2894 9.2894 9.5842 9.5842 10.3771 10.3771 10.8309 10.8309 12.2916 12.2916 12.3857 12.3857 13.0230 13.0230 13.1196 13.1196 k = 0.0893 0.1434 0.5890 ( 3842 PWs) bands (ev): -17.1301 -17.1301 -4.2283 -4.2283 -3.5835 -3.5835 -2.4262 -2.4262 -1.8450 -1.8450 -0.7297 -0.7297 -0.6319 -0.6319 2.5035 2.5035 4.5464 4.5464 4.8264 4.8264 4.9679 4.9679 5.5366 5.5366 6.1270 6.1270 6.3097 6.3097 6.9152 6.9152 7.6930 7.6930 7.7650 7.7650 8.1305 8.1305 8.3212 8.3212 8.3408 8.3408 8.4792 8.4792 8.7115 8.7115 9.2884 9.2884 9.6138 9.6138 10.3004 10.3004 10.8445 10.8445 12.3018 12.3018 12.3794 12.3794 13.0853 13.0853 13.1286 13.1286 k = 0.0982 0.1578 0.5890 ( 3838 PWs) bands (ev): -17.1299 -17.1299 -4.2588 -4.2588 -3.5718 -3.5718 -2.4053 -2.4053 -1.8158 -1.8158 -0.7378 -0.7378 -0.6505 -0.6505 2.5041 2.5041 4.5409 4.5409 4.8415 4.8415 4.9635 4.9635 5.5770 5.5770 6.0993 6.0993 6.2814 6.2814 6.9145 6.9145 7.6808 7.6808 7.7742 7.7742 8.1629 8.1629 8.3114 8.3114 8.3320 8.3320 8.4777 8.4777 8.6957 8.6957 9.2869 9.2869 9.6454 9.6454 10.2227 10.2227 10.8576 10.8576 12.3124 12.3124 12.3726 12.3726 13.0485 13.0485 13.2280 13.2280 k = 0.1071 0.1721 0.5890 ( 3844 PWs) bands (ev): -17.1298 -17.1298 -4.2889 -4.2889 -3.5604 -3.5604 -2.3848 -2.3848 -1.7849 -1.7849 -0.7473 -0.7473 -0.6685 -0.6685 2.5046 2.5046 4.5337 4.5337 4.8582 4.8582 4.9602 4.9602 5.6169 5.6169 6.0707 6.0707 6.2540 6.2540 6.9130 6.9130 7.6693 7.6693 7.7840 7.7840 8.1963 8.1963 8.3004 8.3004 8.3242 8.3242 8.4759 8.4759 8.6794 8.6794 9.2847 9.2847 9.6791 9.6791 10.1445 10.1445 10.8696 10.8696 12.3231 12.3231 12.3654 12.3654 13.0029 13.0029 13.3319 13.3319 k = 0.1161 0.1865 0.5890 ( 3842 PWs) bands (ev): -17.1296 -17.1296 -4.3183 -4.3183 -3.5492 -3.5492 -2.3650 -2.3650 -1.7527 -1.7527 -0.7583 -0.7583 -0.6854 -0.6854 2.5052 2.5052 4.5246 4.5246 4.8765 4.8765 4.9581 4.9581 5.6546 5.6546 6.0417 6.0417 6.2293 6.2293 6.9107 6.9107 7.6584 7.6584 7.7946 7.7946 8.2302 8.2302 8.2884 8.2884 8.3178 8.3178 8.4739 8.4739 8.6631 8.6631 9.2820 9.2820 9.7144 9.7144 10.0665 10.0665 10.8799 10.8799 12.3332 12.3332 12.3581 12.3581 12.9552 12.9552 13.4369 13.4369 k = 0.1250 0.2008 0.5890 ( 3842 PWs) bands (ev): -17.1295 -17.1295 -4.3468 -4.3468 -3.5385 -3.5385 -2.3461 -2.3461 -1.7197 -1.7197 -0.7710 -0.7710 -0.7007 -0.7007 2.5058 2.5058 4.5137 4.5137 4.8965 4.8965 4.9575 4.9575 5.6877 5.6877 6.0123 6.0123 6.2095 6.2095 6.9073 6.9073 7.6483 7.6483 7.8059 7.8059 8.2605 8.2605 8.2797 8.2797 8.3130 8.3130 8.4719 8.4719 8.6467 8.6467 9.2788 9.2788 9.7506 9.7506 9.9896 9.9896 10.8878 10.8878 12.3418 12.3418 12.3510 12.3510 12.9084 12.9084 13.5420 13.5420 k = 0.1339 0.2151 0.5890 ( 3846 PWs) bands (ev): -17.1293 -17.1293 -4.3741 -4.3741 -3.5281 -3.5281 -2.3280 -2.3280 -1.6866 -1.6866 -0.7851 -0.7851 -0.7141 -0.7141 2.5064 2.5064 4.5009 4.5009 4.9182 4.9182 4.9584 4.9584 5.7132 5.7132 5.9828 5.9828 6.1975 6.1975 6.9026 6.9026 7.6390 7.6390 7.8179 7.8179 8.2567 8.2567 8.2999 8.2999 8.3143 8.3143 8.4701 8.4701 8.6306 8.6306 9.2751 9.2751 9.7853 9.7853 9.9167 9.9167 10.8924 10.8924 12.3412 12.3412 12.3513 12.3513 12.8643 12.8643 13.6464 13.6464 k = 0.1429 0.2295 0.5890 ( 3842 PWs) bands (ev): -17.1292 -17.1292 -4.4000 -4.4000 -3.5181 -3.5181 -2.3109 -2.3109 -1.6539 -1.6539 -0.8001 -0.8001 -0.7258 -0.7258 2.5069 2.5069 4.4866 4.4866 4.9416 4.9416 4.9608 4.9608 5.7281 5.7281 5.9536 5.9536 6.1962 6.1962 6.8966 6.8966 7.6303 7.6303 7.8305 7.8305 8.2421 8.2421 8.3033 8.3033 8.3436 8.3436 8.4691 8.4691 8.6151 8.6151 9.2711 9.2711 9.7971 9.7971 9.8695 9.8695 10.8931 10.8931 12.3338 12.3338 12.3561 12.3561 12.8239 12.8239 13.7490 13.7491 k = 0.1518 0.2438 0.5890 ( 3854 PWs) bands (ev): -17.1290 -17.1290 -4.4244 -4.4244 -3.5086 -3.5086 -2.2949 -2.2949 -1.6223 -1.6223 -0.8152 -0.8152 -0.7360 -0.7360 2.5075 2.5075 4.4710 4.4710 4.9645 4.9645 4.9669 4.9669 5.7306 5.7306 5.9248 5.9248 6.2071 6.2071 6.8887 6.8887 7.6223 7.6223 7.8437 7.8437 8.2262 8.2262 8.3019 8.3019 8.3779 8.3779 8.4703 8.4703 8.6001 8.6001 9.2667 9.2667 9.7432 9.7432 9.8909 9.8909 10.8890 10.8890 12.3259 12.3259 12.3585 12.3585 12.7875 12.7875 13.8490 13.8490 k = 0.1607 0.2582 0.5890 ( 3854 PWs) bands (ev): -17.1289 -17.1289 -4.4471 -4.4471 -3.4997 -3.4997 -2.2799 -2.2799 -1.5924 -1.5924 -0.8297 -0.8297 -0.7451 -0.7451 2.5080 2.5080 4.4545 4.4545 4.9696 4.9696 4.9936 4.9936 5.7208 5.7208 5.8968 5.8968 6.2300 6.2300 6.8793 6.8793 7.6150 7.6150 7.8575 7.8575 8.2096 8.2096 8.3010 8.3010 8.4070 8.4070 8.4783 8.4783 8.5863 8.5863 9.2623 9.2623 9.6726 9.6726 9.9323 9.9323 10.8797 10.8797 12.3182 12.3182 12.3576 12.3576 12.7554 12.7554 13.8735 13.8735 k = 0.1696 0.2725 0.5890 ( 3862 PWs) bands (ev): -17.1287 -17.1287 -4.4680 -4.4680 -3.4914 -3.4914 -2.2660 -2.2660 -1.5647 -1.5647 -0.8430 -0.8430 -0.7534 -0.7534 2.5085 2.5085 4.4375 4.4375 4.9756 4.9756 5.0221 5.0221 5.7007 5.7007 5.8700 5.8700 6.2624 6.2624 6.8678 6.8678 7.6084 7.6084 7.8717 7.8717 8.1926 8.1926 8.3008 8.3008 8.4231 8.4231 8.4994 8.4994 8.5739 8.5739 9.2578 9.2578 9.6008 9.6008 9.9783 9.9783 10.8644 10.8644 12.3106 12.3106 12.3535 12.3535 12.7275 12.7275 13.8457 13.8457 k = 0.1786 0.2869 0.5890 ( 3858 PWs) bands (ev): -17.1286 -17.1286 -4.4870 -4.4870 -3.4837 -3.4837 -2.2532 -2.2532 -1.5396 -1.5396 -0.8546 -0.8546 -0.7609 -0.7609 2.5090 2.5090 4.4206 4.4206 4.9822 4.9822 5.0523 5.0523 5.6726 5.6726 5.8450 5.8450 6.3017 6.3017 6.8542 6.8542 7.6026 7.6026 7.8865 7.8865 8.1753 8.1753 8.3014 8.3014 8.4276 8.4276 8.5294 8.5294 8.5668 8.5668 9.2533 9.2533 9.5299 9.5299 10.0271 10.0271 10.8429 10.8429 12.3034 12.3034 12.3464 12.3464 12.7038 12.7038 13.8360 13.8360 k = 0.1875 0.3012 0.5890 ( 3852 PWs) bands (ev): -17.1285 -17.1285 -4.5039 -4.5039 -3.4768 -3.4768 -2.2417 -2.2417 -1.5176 -1.5176 -0.8643 -0.8643 -0.7679 -0.7679 2.5095 2.5095 4.4043 4.4043 4.9892 4.9892 5.0842 5.0842 5.6389 5.6389 5.8222 5.8222 6.3451 6.3451 6.8382 6.8382 7.5974 7.5974 7.9017 7.9017 8.1578 8.1578 8.3026 8.3026 8.4270 8.4270 8.5402 8.5402 8.5861 8.5861 9.2491 9.2491 9.4606 9.4606 10.0781 10.0781 10.8151 10.8151 12.2966 12.2966 12.3371 12.3371 12.6838 12.6838 13.8439 13.8439 k = 0.1964 0.3155 0.5890 ( 3840 PWs) bands (ev): -17.1284 -17.1284 -4.5187 -4.5187 -3.4706 -3.4706 -2.2315 -2.2315 -1.4987 -1.4987 -0.8718 -0.8718 -0.7742 -0.7742 2.5099 2.5099 4.3890 4.3890 4.9962 4.9962 5.1176 5.1176 5.6013 5.6013 5.8017 5.8017 6.3907 6.3907 6.8198 6.8198 7.5930 7.5930 7.9172 7.9172 8.1401 8.1401 8.3042 8.3042 8.4244 8.4244 8.5338 8.5338 8.6268 8.6268 9.2452 9.2452 9.3935 9.3935 10.1311 10.1311 10.7811 10.7811 12.2905 12.2905 12.3264 12.3264 12.6674 12.6674 13.8686 13.8686 k = 0.2054 0.3299 0.5890 ( 3836 PWs) bands (ev): -17.1283 -17.1283 -4.5314 -4.5314 -3.4653 -3.4653 -2.2226 -2.2226 -1.4831 -1.4831 -0.8774 -0.8774 -0.7799 -0.7799 2.5102 2.5102 4.3752 4.3752 5.0029 5.0029 5.1526 5.1526 5.5613 5.5613 5.7838 5.7838 6.4370 6.4370 6.7987 6.7987 7.5893 7.5893 7.9329 7.9329 8.1224 8.1224 8.3061 8.3061 8.4212 8.4212 8.5262 8.5262 8.6714 8.6714 9.2416 9.2416 9.3289 9.3289 10.1860 10.1860 10.7411 10.7411 12.2851 12.2851 12.3155 12.3155 12.6542 12.6542 13.9082 13.9082 k = 0.2143 0.3442 0.5890 ( 3840 PWs) bands (ev): -17.1282 -17.1282 -4.5419 -4.5419 -3.4609 -3.4609 -2.2152 -2.2152 -1.4708 -1.4708 -0.8811 -0.8811 -0.7849 -0.7849 2.5105 2.5105 4.3633 4.3633 5.0089 5.0089 5.1889 5.1889 5.5199 5.5199 5.7688 5.7688 6.4829 6.4829 6.7749 6.7749 7.5861 7.5861 7.9487 7.9487 8.1050 8.1050 8.3082 8.3082 8.4179 8.4179 8.5194 8.5194 8.7168 8.7168 9.2381 9.2381 9.2681 9.2681 10.2425 10.2425 10.6959 10.6959 12.2807 12.2807 12.3052 12.3052 12.6439 12.6439 13.9557 13.9557 k = 0.2232 0.3586 0.5890 ( 3840 PWs) bands (ev): -17.1282 -17.1282 -4.5500 -4.5500 -3.4574 -3.4574 -2.2094 -2.2094 -1.4615 -1.4615 -0.8834 -0.8834 -0.7891 -0.7891 2.5107 2.5107 4.3537 4.3537 5.0139 5.0139 5.2266 5.2266 5.4778 5.4778 5.7569 5.7569 6.5275 6.5275 6.7482 6.7482 7.5837 7.5837 7.9643 7.9643 8.0881 8.0881 8.3101 8.3101 8.4150 8.4150 8.5138 8.5138 8.7610 8.7610 9.2101 9.2101 9.2373 9.2373 10.3001 10.3001 10.6463 10.6463 12.2773 12.2773 12.2963 12.2963 12.6362 12.6362 13.9595 13.9595 k = 0.2321 0.3729 0.5890 ( 3840 PWs) bands (ev): -17.1281 -17.1281 -4.5559 -4.5559 -3.4548 -3.4548 -2.2051 -2.2051 -1.4551 -1.4551 -0.8847 -0.8847 -0.7922 -0.7922 2.5109 2.5109 4.3466 4.3466 5.0177 5.0177 5.2650 5.2650 5.4358 5.4358 5.7482 5.7482 6.5703 6.5703 6.7188 6.7188 7.5820 7.5820 7.9790 7.9790 8.0726 8.0726 8.3117 8.3117 8.4126 8.4126 8.5098 8.5098 8.8013 8.8013 9.1617 9.1617 9.2350 9.2350 10.3585 10.3585 10.5932 10.5932 12.2752 12.2752 12.2892 12.2892 12.6309 12.6309 13.9486 13.9486 k = 0.2411 0.3873 0.5890 ( 3840 PWs) bands (ev): -17.1281 -17.1281 -4.5594 -4.5594 -3.4533 -3.4533 -2.2026 -2.2026 -1.4513 -1.4513 -0.8852 -0.8852 -0.7941 -0.7941 2.5109 2.5109 4.3422 4.3422 5.0200 5.0200 5.3033 5.3033 5.3954 5.3954 5.7429 5.7429 6.6103 6.6103 6.6869 6.6869 7.5809 7.5809 7.9909 7.9909 8.0601 8.0601 8.3127 8.3127 8.4111 8.4111 8.5074 8.5074 8.8318 8.8318 9.1261 9.1261 9.2338 9.2338 10.4166 10.4166 10.5382 10.5382 12.2741 12.2741 12.2846 12.2846 12.6278 12.6278 13.9414 13.9414 k = 0.2500 0.4016 0.5890 ( 3848 PWs) bands (ev): -17.1281 -17.1281 -4.5606 -4.5606 -3.4528 -3.4528 -2.2017 -2.2017 -1.4501 -1.4501 -0.8854 -0.8854 -0.7948 -0.7948 2.5110 2.5110 4.3408 4.3408 5.0208 5.0208 5.3294 5.3294 5.3685 5.3685 5.7411 5.7411 6.6395 6.6395 6.6604 6.6604 7.5805 7.5805 7.9959 7.9959 8.0548 8.0548 8.3130 8.3130 8.4106 8.4106 8.5065 8.5065 8.8438 8.8438 9.1123 9.1123 9.2334 9.2334 10.4610 10.4610 10.4948 10.4948 12.2739 12.2739 12.2829 12.2829 12.6268 12.6268 13.9389 13.9389 Writing output data file BaxNiP2x2.save init_run : 0.34s CPU 0.50s WALL ( 1 calls) electrons : 284.68s CPU 288.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 284.68s CPU 288.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 305 calls) cegterg : 266.52s CPU 269.65s WALL ( 736 calls) Called by sum_band: Called by *egterg: h_psi : 148.18s CPU 149.99s WALL ( 12806 calls) s_psi : 14.77s CPU 15.05s WALL ( 12806 calls) g_psi : 0.26s CPU 0.31s WALL ( 11765 calls) cdiaghg : 93.52s CPU 94.46s WALL ( 12070 calls) cegterg:over : 8.56s CPU 8.81s WALL ( 11765 calls) cegterg:upda : 8.17s CPU 8.18s WALL ( 11765 calls) cegterg:last : 3.94s CPU 3.95s WALL ( 1640 calls) cdiaghg:chol : 5.46s CPU 5.38s WALL ( 12070 calls) cdiaghg:inve : 3.46s CPU 3.47s WALL ( 12070 calls) cdiaghg:para : 5.80s CPU 5.85s WALL ( 24140 calls) Called by h_psi: h_psi:vloc : 120.08s CPU 121.51s WALL ( 12806 calls) h_psi:vnl : 27.77s CPU 28.17s WALL ( 12806 calls) add_vuspsi : 16.10s CPU 16.13s WALL ( 12806 calls) General routines calbec : 11.62s CPU 12.00s WALL ( 12806 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 113.10s CPU 114.46s WALL ( 1128444 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 610 calls) Parallel routines fft_scatter : 35.42s CPU 36.58s WALL ( 1128467 calls) PWSCF : 5m 2.01s CPU 5m16.36s WALL This run was terminated on: 14:16:22 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=