Program PWSCF v.5.1.1 starts on 3Jun2015 at 23:56:42 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MoO2.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 15 4 910 434 71 Max 27 16 5 913 446 78 Sum 1267 763 239 43747 21177 3619 bravais-lattice index = 14 lattice parameter (alat) = 9.1765 a.u. unit-cell volume = 443.8230 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.176509 celldm(2)= 0.577739 celldm(3)= 0.994306 celldm(4)= 0.018523 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.577739 0.000000 ) a(3) = ( 0.000000 0.018418 0.994136 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.730886 -0.032067 ) b(3) = ( 0.000000 0.000000 1.005899 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mo read from file: /home/autes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 O 6.00 15.99940 O( 1.00) Mo 14.00 95.94000 Mo( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0000000 0.0152409), wk = 0.0028090 k( 3) = ( 0.0000000 0.0000000 0.0304818), wk = 0.0028090 k( 4) = ( 0.0000000 0.0000000 0.0457227), wk = 0.0028090 k( 5) = ( 0.0000000 0.0000000 0.0609636), wk = 0.0028090 k( 6) = ( 0.0000000 0.0000000 0.0762045), wk = 0.0028090 k( 7) = ( 0.0000000 0.0000000 0.0914454), wk = 0.0028090 k( 8) = ( 0.0000000 0.0000000 0.1066863), wk = 0.0028090 k( 9) = ( 0.0000000 0.0000000 0.1219271), wk = 0.0028090 k( 10) = ( 0.0000000 0.0000000 0.1371680), wk = 0.0028090 k( 11) = ( 0.0000000 0.0000000 0.1524089), wk = 0.0028090 k( 12) = ( 0.0000000 0.0000000 0.1676498), wk = 0.0028090 k( 13) = ( 0.0000000 0.0000000 0.1828907), wk = 0.0028090 k( 14) = ( 0.0000000 0.0000000 0.1981316), wk = 0.0028090 k( 15) = ( 0.0000000 0.0000000 0.2133725), wk = 0.0028090 k( 16) = ( 0.0000000 0.0000000 0.2286134), wk = 0.0028090 k( 17) = ( 0.0000000 0.0000000 0.2438543), wk = 0.0028090 k( 18) = ( 0.0000000 0.0000000 0.2590952), wk = 0.0028090 k( 19) = ( 0.0000000 0.0000000 0.2743361), wk = 0.0028090 k( 20) = ( 0.0000000 0.0000000 0.2895770), wk = 0.0028090 k( 21) = ( 0.0000000 0.0000000 0.3048178), wk = 0.0028090 k( 22) = ( 0.0000000 0.0000000 0.3200587), wk = 0.0028090 k( 23) = ( 0.0000000 0.0000000 0.3352996), wk = 0.0028090 k( 24) = ( 0.0000000 0.0000000 0.3505405), wk = 0.0028090 k( 25) = ( 0.0000000 0.0000000 0.3657814), wk = 0.0028090 k( 26) = ( 0.0000000 0.0000000 0.3810223), wk = 0.0028090 k( 27) = ( 0.0000000 0.0000000 0.3962632), wk = 0.0028090 k( 28) = ( 0.0000000 0.0000000 0.4115041), wk = 0.0028090 k( 29) = ( 0.0000000 0.0000000 0.4267450), wk = 0.0028090 k( 30) = ( 0.0000000 0.0000000 0.4419859), wk = 0.0028090 k( 31) = ( 0.0000000 0.0000000 0.4572268), wk = 0.0028090 k( 32) = ( 0.0000000 0.0000000 0.4724677), wk = 0.0028090 k( 33) = ( 0.0000000 0.0000000 0.4877086), wk = 0.0028090 k( 34) = ( 0.0000000 0.0000000 0.5029495), wk = 0.0028090 k( 35) = ( 0.0000000 0.0000000 0.5029495), wk = 0.0028090 k( 36) = ( 0.0000000 0.0152932 0.5029495), wk = 0.0028090 k( 37) = ( 0.0000000 0.0305865 0.5029495), wk = 0.0028090 k( 38) = ( 0.0000000 0.0458797 0.5029495), wk = 0.0028090 k( 39) = ( 0.0000000 0.0611730 0.5029495), wk = 0.0028090 k( 40) = ( 0.0000000 0.0764662 0.5029495), wk = 0.0028090 k( 41) = ( 0.0000000 0.0917595 0.5029495), wk = 0.0028090 k( 42) = ( 0.0000000 0.1070527 0.5029495), wk = 0.0028090 k( 43) = ( 0.0000000 0.1223460 0.5029495), wk = 0.0028090 k( 44) = ( 0.0000000 0.1376392 0.5029495), wk = 0.0028090 k( 45) = ( 0.0000000 0.1529325 0.5029494), wk = 0.0028090 k( 46) = ( 0.0000000 0.1682257 0.5029495), wk = 0.0028090 k( 47) = ( 0.0000000 0.1835190 0.5029495), wk = 0.0028090 k( 48) = ( 0.0000000 0.1988122 0.5029495), wk = 0.0028090 k( 49) = ( 0.0000000 0.2141055 0.5029495), wk = 0.0028090 k( 50) = ( 0.0000000 0.2293987 0.5029495), wk = 0.0028090 k( 51) = ( 0.0000000 0.2446920 0.5029495), wk = 0.0028090 k( 52) = ( 0.0000000 0.2599852 0.5029495), wk = 0.0028090 k( 53) = ( 0.0000000 0.2752785 0.5029495), wk = 0.0028090 k( 54) = ( 0.0000000 0.2905717 0.5029495), wk = 0.0028090 k( 55) = ( 0.0000000 0.3058650 0.5029495), wk = 0.0028090 k( 56) = ( 0.0000000 0.3211582 0.5029495), wk = 0.0028090 k( 57) = ( 0.0000000 0.3364515 0.5029495), wk = 0.0028090 k( 58) = ( 0.0000000 0.3517447 0.5029495), wk = 0.0028090 k( 59) = ( 0.0000000 0.3670380 0.5029495), wk = 0.0028090 k( 60) = ( 0.0000000 0.3823312 0.5029495), wk = 0.0028090 k( 61) = ( 0.0000000 0.3976245 0.5029495), wk = 0.0028090 k( 62) = ( 0.0000000 0.4129177 0.5029495), wk = 0.0028090 k( 63) = ( 0.0000000 0.4282110 0.5029495), wk = 0.0028090 k( 64) = ( 0.0000000 0.4435042 0.5029495), wk = 0.0028090 k( 65) = ( 0.0000000 0.4587975 0.5029495), wk = 0.0028090 k( 66) = ( 0.0000000 0.4740907 0.5029494), wk = 0.0028090 k( 67) = ( 0.0000000 0.4893840 0.5029495), wk = 0.0028090 k( 68) = ( 0.0000000 0.5046772 0.5029495), wk = 0.0028090 k( 69) = ( 0.0000000 0.5199705 0.5029495), wk = 0.0028090 k( 70) = ( 0.0000000 0.5352637 0.5029495), wk = 0.0028090 k( 71) = ( 0.0000000 0.5505570 0.5029495), wk = 0.0028090 k( 72) = ( 0.0000000 0.5658502 0.5029495), wk = 0.0028090 k( 73) = ( 0.0000000 0.5811435 0.5029495), wk = 0.0028090 k( 74) = ( 0.0000000 0.5964367 0.5029495), wk = 0.0028090 k( 75) = ( 0.0000000 0.6117300 0.5029495), wk = 0.0028090 k( 76) = ( 0.0000000 0.6270232 0.5029495), wk = 0.0028090 k( 77) = ( 0.0000000 0.6423165 0.5029495), wk = 0.0028090 k( 78) = ( 0.0000000 0.6576097 0.5029495), wk = 0.0028090 k( 79) = ( 0.0000000 0.6729030 0.5029495), wk = 0.0028090 k( 80) = ( 0.0000000 0.6881962 0.5029495), wk = 0.0028090 k( 81) = ( 0.0000000 0.7034895 0.5029495), wk = 0.0028090 k( 82) = ( 0.0000000 0.7187827 0.5029495), wk = 0.0028090 k( 83) = ( 0.0000000 0.7340760 0.5029495), wk = 0.0028090 k( 84) = ( 0.0000000 0.7493692 0.5029495), wk = 0.0028090 k( 85) = ( 0.0000000 0.7646625 0.5029495), wk = 0.0028090 k( 86) = ( 0.0000000 0.7799557 0.5029495), wk = 0.0028090 k( 87) = ( 0.0000000 0.7952490 0.5029494), wk = 0.0028090 k( 88) = ( 0.0000000 0.8105422 0.5029495), wk = 0.0028090 k( 89) = ( 0.0000000 0.8258355 0.5029495), wk = 0.0028090 k( 90) = ( 0.0000000 0.8411287 0.5029495), wk = 0.0028090 k( 91) = ( 0.0000000 0.8564220 0.5029495), wk = 0.0028090 k( 92) = ( 0.0000000 0.8564220 0.5029495), wk = 0.0028090 k( 93) = ( 0.0000000 0.8609324 0.4949326), wk = 0.0028090 k( 94) = ( 0.0000000 0.8654429 0.4869157), wk = 0.0028090 k( 95) = ( 0.0000000 0.8654429 0.4869157), wk = 0.0028090 k( 96) = ( 0.0151515 0.8654429 0.4869157), wk = 0.0028090 k( 97) = ( 0.0303030 0.8654429 0.4869157), wk = 0.0028090 k( 98) = ( 0.0454546 0.8654429 0.4869157), wk = 0.0028090 k( 99) = ( 0.0606061 0.8654429 0.4869157), wk = 0.0028090 k( 100) = ( 0.0757576 0.8654429 0.4869157), wk = 0.0028090 k( 101) = ( 0.0909091 0.8654429 0.4869157), wk = 0.0028090 k( 102) = ( 0.1060606 0.8654429 0.4869157), wk = 0.0028090 k( 103) = ( 0.1212121 0.8654429 0.4869157), wk = 0.0028090 k( 104) = ( 0.1363636 0.8654429 0.4869157), wk = 0.0028090 k( 105) = ( 0.1515151 0.8654429 0.4869157), wk = 0.0028090 k( 106) = ( 0.1666667 0.8654429 0.4869157), wk = 0.0028090 k( 107) = ( 0.1818182 0.8654429 0.4869157), wk = 0.0028090 k( 108) = ( 0.1969697 0.8654429 0.4869157), wk = 0.0028090 k( 109) = ( 0.2121212 0.8654429 0.4869157), wk = 0.0028090 k( 110) = ( 0.2272727 0.8654429 0.4869157), wk = 0.0028090 k( 111) = ( 0.2424242 0.8654429 0.4869157), wk = 0.0028090 k( 112) = ( 0.2575758 0.8654429 0.4869157), wk = 0.0028090 k( 113) = ( 0.2727273 0.8654429 0.4869157), wk = 0.0028090 k( 114) = ( 0.2878788 0.8654429 0.4869157), wk = 0.0028090 k( 115) = ( 0.3030303 0.8654429 0.4869157), wk = 0.0028090 k( 116) = ( 0.3181818 0.8654429 0.4869157), wk = 0.0028090 k( 117) = ( 0.3333333 0.8654429 0.4869157), wk = 0.0028090 k( 118) = ( 0.3484849 0.8654429 0.4869157), wk = 0.0028090 k( 119) = ( 0.3636364 0.8654429 0.4869157), wk = 0.0028090 k( 120) = ( 0.3787879 0.8654429 0.4869157), wk = 0.0028090 k( 121) = ( 0.3939394 0.8654429 0.4869157), wk = 0.0028090 k( 122) = ( 0.4090909 0.8654429 0.4869157), wk = 0.0028090 k( 123) = ( 0.4242424 0.8654429 0.4869157), wk = 0.0028090 k( 124) = ( 0.4393939 0.8654429 0.4869157), wk = 0.0028090 k( 125) = ( 0.4545455 0.8654429 0.4869157), wk = 0.0028090 k( 126) = ( 0.4696970 0.8654429 0.4869157), wk = 0.0028090 k( 127) = ( 0.4848485 0.8654429 0.4869157), wk = 0.0028090 k( 128) = ( 0.5000000 0.8654429 0.4869157), wk = 0.0028090 k( 129) = ( 0.5000000 0.8654429 0.4869157), wk = 0.0028090 k( 130) = ( 0.5000000 0.8699533 0.4788989), wk = 0.0028090 k( 131) = ( 0.5000000 0.8744638 0.4708820), wk = 0.0028090 k( 132) = ( 0.5000000 0.8744638 0.4708820), wk = 0.0028090 k( 133) = ( 0.5000000 0.8741819 0.4556659), wk = 0.0028090 k( 134) = ( 0.5000000 0.8739000 0.4404498), wk = 0.0028090 k( 135) = ( 0.5000000 0.8736181 0.4252337), wk = 0.0028090 k( 136) = ( 0.5000000 0.8733362 0.4100176), wk = 0.0028090 k( 137) = ( 0.5000000 0.8730543 0.3948014), wk = 0.0028090 k( 138) = ( 0.5000000 0.8727724 0.3795853), wk = 0.0028090 k( 139) = ( 0.5000000 0.8724905 0.3643692), wk = 0.0028090 k( 140) = ( 0.5000000 0.8722085 0.3491531), wk = 0.0028090 k( 141) = ( 0.5000000 0.8719267 0.3339370), wk = 0.0028090 k( 142) = ( 0.5000000 0.8716447 0.3187209), wk = 0.0028090 k( 143) = ( 0.5000000 0.8713628 0.3035047), wk = 0.0028090 k( 144) = ( 0.5000000 0.8710809 0.2882886), wk = 0.0028090 k( 145) = ( 0.5000000 0.8707990 0.2730725), wk = 0.0028090 k( 146) = ( 0.5000000 0.8705171 0.2578564), wk = 0.0028090 k( 147) = ( 0.5000000 0.8702352 0.2426403), wk = 0.0028090 k( 148) = ( 0.5000000 0.8699533 0.2274242), wk = 0.0028090 k( 149) = ( 0.5000000 0.8696714 0.2122080), wk = 0.0028090 k( 150) = ( 0.5000000 0.8693895 0.1969919), wk = 0.0028090 k( 151) = ( 0.5000000 0.8691076 0.1817758), wk = 0.0028090 k( 152) = ( 0.5000000 0.8688257 0.1665597), wk = 0.0028090 k( 153) = ( 0.5000000 0.8685438 0.1513436), wk = 0.0028090 k( 154) = ( 0.5000000 0.8682619 0.1361275), wk = 0.0028090 k( 155) = ( 0.5000000 0.8679800 0.1209113), wk = 0.0028090 k( 156) = ( 0.5000000 0.8676981 0.1056952), wk = 0.0028090 k( 157) = ( 0.5000000 0.8674162 0.0904791), wk = 0.0028090 k( 158) = ( 0.5000000 0.8671343 0.0752630), wk = 0.0028090 k( 159) = ( 0.5000000 0.8668524 0.0600469), wk = 0.0028090 k( 160) = ( 0.5000000 0.8665705 0.0448308), wk = 0.0028090 k( 161) = ( 0.5000000 0.8662886 0.0296146), wk = 0.0028090 k( 162) = ( 0.5000000 0.8660067 0.0143985), wk = 0.0028090 k( 163) = ( 0.5000000 0.8657248 -0.0008176), wk = 0.0028090 k( 164) = ( 0.5000000 0.8654429 -0.0160337), wk = 0.0028090 k( 165) = ( 0.5000000 0.8654429 -0.0160337), wk = 0.0028090 k( 166) = ( 0.4848485 0.8654429 -0.0160337), wk = 0.0028090 k( 167) = ( 0.4696970 0.8654429 -0.0160337), wk = 0.0028090 k( 168) = ( 0.4545455 0.8654429 -0.0160337), wk = 0.0028090 k( 169) = ( 0.4393939 0.8654429 -0.0160337), wk = 0.0028090 k( 170) = ( 0.4242424 0.8654429 -0.0160337), wk = 0.0028090 k( 171) = ( 0.4090909 0.8654429 -0.0160337), wk = 0.0028090 k( 172) = ( 0.3939394 0.8654429 -0.0160337), wk = 0.0028090 k( 173) = ( 0.3787879 0.8654429 -0.0160337), wk = 0.0028090 k( 174) = ( 0.3636364 0.8654429 -0.0160337), wk = 0.0028090 k( 175) = ( 0.3484849 0.8654429 -0.0160337), wk = 0.0028090 k( 176) = ( 0.3333333 0.8654429 -0.0160337), wk = 0.0028090 k( 177) = ( 0.3181818 0.8654429 -0.0160337), wk = 0.0028090 k( 178) = ( 0.3030303 0.8654429 -0.0160337), wk = 0.0028090 k( 179) = ( 0.2878788 0.8654429 -0.0160337), wk = 0.0028090 k( 180) = ( 0.2727273 0.8654429 -0.0160337), wk = 0.0028090 k( 181) = ( 0.2575758 0.8654429 -0.0160337), wk = 0.0028090 k( 182) = ( 0.2424242 0.8654429 -0.0160337), wk = 0.0028090 k( 183) = ( 0.2272727 0.8654429 -0.0160337), wk = 0.0028090 k( 184) = ( 0.2121212 0.8654429 -0.0160337), wk = 0.0028090 k( 185) = ( 0.1969697 0.8654429 -0.0160337), wk = 0.0028090 k( 186) = ( 0.1818182 0.8654429 -0.0160337), wk = 0.0028090 k( 187) = ( 0.1666667 0.8654429 -0.0160337), wk = 0.0028090 k( 188) = ( 0.1515151 0.8654429 -0.0160337), wk = 0.0028090 k( 189) = ( 0.1363636 0.8654429 -0.0160337), wk = 0.0028090 k( 190) = ( 0.1212121 0.8654429 -0.0160337), wk = 0.0028090 k( 191) = ( 0.1060606 0.8654429 -0.0160337), wk = 0.0028090 k( 192) = ( 0.0909091 0.8654429 -0.0160337), wk = 0.0028090 k( 193) = ( 0.0757576 0.8654429 -0.0160337), wk = 0.0028090 k( 194) = ( 0.0606061 0.8654429 -0.0160337), wk = 0.0028090 k( 195) = ( 0.0454546 0.8654429 -0.0160337), wk = 0.0028090 k( 196) = ( 0.0303030 0.8654429 -0.0160337), wk = 0.0028090 k( 197) = ( 0.0151515 0.8654429 -0.0160337), wk = 0.0028090 k( 198) = ( 0.0000000 0.8654429 -0.0160337), wk = 0.0028090 k( 199) = ( 0.0000000 0.8654429 -0.0160337), wk = 0.0028090 k( 200) = ( 0.0000000 0.8657248 -0.0008176), wk = 0.0028090 k( 201) = ( 0.0000000 0.8660067 0.0143985), wk = 0.0028090 k( 202) = ( 0.0000000 0.8662886 0.0296146), wk = 0.0028090 k( 203) = ( 0.0000000 0.8665705 0.0448308), wk = 0.0028090 k( 204) = ( 0.0000000 0.8668524 0.0600469), wk = 0.0028090 k( 205) = ( 0.0000000 0.8671343 0.0752630), wk = 0.0028090 k( 206) = ( 0.0000000 0.8674162 0.0904791), wk = 0.0028090 k( 207) = ( 0.0000000 0.8676981 0.1056952), wk = 0.0028090 k( 208) = ( 0.0000000 0.8679800 0.1209113), wk = 0.0028090 k( 209) = ( 0.0000000 0.8682619 0.1361275), wk = 0.0028090 k( 210) = ( 0.0000000 0.8685438 0.1513436), wk = 0.0028090 k( 211) = ( 0.0000000 0.8688257 0.1665597), wk = 0.0028090 k( 212) = ( 0.0000000 0.8691076 0.1817758), wk = 0.0028090 k( 213) = ( 0.0000000 0.8693895 0.1969919), wk = 0.0028090 k( 214) = ( 0.0000000 0.8696714 0.2122080), wk = 0.0028090 k( 215) = ( 0.0000000 0.8699533 0.2274242), wk = 0.0028090 k( 216) = ( 0.0000000 0.8702352 0.2426403), wk = 0.0028090 k( 217) = ( 0.0000000 0.8705171 0.2578564), wk = 0.0028090 k( 218) = ( 0.0000000 0.8707990 0.2730725), wk = 0.0028090 k( 219) = ( 0.0000000 0.8710809 0.2882886), wk = 0.0028090 k( 220) = ( 0.0000000 0.8713628 0.3035047), wk = 0.0028090 k( 221) = ( 0.0000000 0.8716447 0.3187209), wk = 0.0028090 k( 222) = ( 0.0000000 0.8719267 0.3339370), wk = 0.0028090 k( 223) = ( 0.0000000 0.8722085 0.3491531), wk = 0.0028090 k( 224) = ( 0.0000000 0.8724905 0.3643692), wk = 0.0028090 k( 225) = ( 0.0000000 0.8727724 0.3795853), wk = 0.0028090 k( 226) = ( 0.0000000 0.8730543 0.3948014), wk = 0.0028090 k( 227) = ( 0.0000000 0.8733362 0.4100176), wk = 0.0028090 k( 228) = ( 0.0000000 0.8736181 0.4252337), wk = 0.0028090 k( 229) = ( 0.0000000 0.8739000 0.4404498), wk = 0.0028090 k( 230) = ( 0.0000000 0.8741819 0.4556659), wk = 0.0028090 k( 231) = ( 0.0000000 0.8744638 0.4708820), wk = 0.0028090 k( 232) = ( 0.5000000 0.8564220 0.5029495), wk = 0.0028090 k( 233) = ( 0.5000000 0.8411287 0.5029495), wk = 0.0028090 k( 234) = ( 0.5000000 0.8258355 0.5029495), wk = 0.0028090 k( 235) = ( 0.5000000 0.8105422 0.5029495), wk = 0.0028090 k( 236) = ( 0.5000000 0.7952490 0.5029494), wk = 0.0028090 k( 237) = ( 0.5000000 0.7799557 0.5029495), wk = 0.0028090 k( 238) = ( 0.5000000 0.7646625 0.5029495), wk = 0.0028090 k( 239) = ( 0.5000000 0.7493692 0.5029495), wk = 0.0028090 k( 240) = ( 0.5000000 0.7340760 0.5029495), wk = 0.0028090 k( 241) = ( 0.5000000 0.7187827 0.5029495), wk = 0.0028090 k( 242) = ( 0.5000000 0.7034895 0.5029495), wk = 0.0028090 k( 243) = ( 0.5000000 0.6881962 0.5029495), wk = 0.0028090 k( 244) = ( 0.5000000 0.6729030 0.5029495), wk = 0.0028090 k( 245) = ( 0.5000000 0.6576097 0.5029495), wk = 0.0028090 k( 246) = ( 0.5000000 0.6423165 0.5029495), wk = 0.0028090 k( 247) = ( 0.5000000 0.6270232 0.5029495), wk = 0.0028090 k( 248) = ( 0.5000000 0.6117300 0.5029495), wk = 0.0028090 k( 249) = ( 0.5000000 0.5964367 0.5029495), wk = 0.0028090 k( 250) = ( 0.5000000 0.5811435 0.5029495), wk = 0.0028090 k( 251) = ( 0.5000000 0.5658502 0.5029495), wk = 0.0028090 k( 252) = ( 0.5000000 0.5505570 0.5029495), wk = 0.0028090 k( 253) = ( 0.5000000 0.5352637 0.5029495), wk = 0.0028090 k( 254) = ( 0.5000000 0.5199705 0.5029495), wk = 0.0028090 k( 255) = ( 0.5000000 0.5046772 0.5029495), wk = 0.0028090 k( 256) = ( 0.5000000 0.4893840 0.5029495), wk = 0.0028090 k( 257) = ( 0.5000000 0.4740907 0.5029494), wk = 0.0028090 k( 258) = ( 0.5000000 0.4587975 0.5029495), wk = 0.0028090 k( 259) = ( 0.5000000 0.4435042 0.5029495), wk = 0.0028090 k( 260) = ( 0.5000000 0.4282110 0.5029495), wk = 0.0028090 k( 261) = ( 0.5000000 0.4129177 0.5029495), wk = 0.0028090 k( 262) = ( 0.5000000 0.3976245 0.5029495), wk = 0.0028090 k( 263) = ( 0.5000000 0.3823312 0.5029495), wk = 0.0028090 k( 264) = ( 0.5000000 0.3670380 0.5029495), wk = 0.0028090 k( 265) = ( 0.5000000 0.3517447 0.5029495), wk = 0.0028090 k( 266) = ( 0.5000000 0.3364515 0.5029495), wk = 0.0028090 k( 267) = ( 0.5000000 0.3211582 0.5029495), wk = 0.0028090 k( 268) = ( 0.5000000 0.3058650 0.5029495), wk = 0.0028090 k( 269) = ( 0.5000000 0.2905717 0.5029495), wk = 0.0028090 k( 270) = ( 0.5000000 0.2752785 0.5029495), wk = 0.0028090 k( 271) = ( 0.5000000 0.2599852 0.5029495), wk = 0.0028090 k( 272) = ( 0.5000000 0.2446920 0.5029495), wk = 0.0028090 k( 273) = ( 0.5000000 0.2293987 0.5029495), wk = 0.0028090 k( 274) = ( 0.5000000 0.2141055 0.5029495), wk = 0.0028090 k( 275) = ( 0.5000000 0.1988122 0.5029495), wk = 0.0028090 k( 276) = ( 0.5000000 0.1835190 0.5029495), wk = 0.0028090 k( 277) = ( 0.5000000 0.1682257 0.5029495), wk = 0.0028090 k( 278) = ( 0.5000000 0.1529325 0.5029494), wk = 0.0028090 k( 279) = ( 0.5000000 0.1376392 0.5029495), wk = 0.0028090 k( 280) = ( 0.5000000 0.1223460 0.5029495), wk = 0.0028090 k( 281) = ( 0.5000000 0.1070527 0.5029495), wk = 0.0028090 k( 282) = ( 0.5000000 0.0917595 0.5029495), wk = 0.0028090 k( 283) = ( 0.5000000 0.0764662 0.5029495), wk = 0.0028090 k( 284) = ( 0.5000000 0.0611730 0.5029495), wk = 0.0028090 k( 285) = ( 0.5000000 0.0458797 0.5029495), wk = 0.0028090 k( 286) = ( 0.5000000 0.0305865 0.5029495), wk = 0.0028090 k( 287) = ( 0.5000000 0.0152932 0.5029495), wk = 0.0028090 k( 288) = ( 0.5000000 -0.0000000 0.5029495), wk = 0.0028090 k( 289) = ( 0.5000000 -0.0000000 0.5029495), wk = 0.0028090 k( 290) = ( 0.5000000 -0.0000000 0.4877086), wk = 0.0028090 k( 291) = ( 0.5000000 -0.0000000 0.4724677), wk = 0.0028090 k( 292) = ( 0.5000000 -0.0000000 0.4572268), wk = 0.0028090 k( 293) = ( 0.5000000 -0.0000000 0.4419859), wk = 0.0028090 k( 294) = ( 0.5000000 -0.0000000 0.4267450), wk = 0.0028090 k( 295) = ( 0.5000000 -0.0000000 0.4115041), wk = 0.0028090 k( 296) = ( 0.5000000 -0.0000000 0.3962632), wk = 0.0028090 k( 297) = ( 0.5000000 -0.0000000 0.3810223), wk = 0.0028090 k( 298) = ( 0.5000000 -0.0000000 0.3657814), wk = 0.0028090 k( 299) = ( 0.5000000 -0.0000000 0.3505405), wk = 0.0028090 k( 300) = ( 0.5000000 -0.0000000 0.3352996), wk = 0.0028090 k( 301) = ( 0.5000000 -0.0000000 0.3200587), wk = 0.0028090 k( 302) = ( 0.5000000 -0.0000000 0.3048178), wk = 0.0028090 k( 303) = ( 0.5000000 -0.0000000 0.2895770), wk = 0.0028090 k( 304) = ( 0.5000000 -0.0000000 0.2743361), wk = 0.0028090 k( 305) = ( 0.5000000 -0.0000000 0.2590952), wk = 0.0028090 k( 306) = ( 0.5000000 -0.0000000 0.2438543), wk = 0.0028090 k( 307) = ( 0.5000000 -0.0000000 0.2286134), wk = 0.0028090 k( 308) = ( 0.5000000 -0.0000000 0.2133725), wk = 0.0028090 k( 309) = ( 0.5000000 -0.0000000 0.1981316), wk = 0.0028090 k( 310) = ( 0.5000000 -0.0000000 0.1828907), wk = 0.0028090 k( 311) = ( 0.5000000 -0.0000000 0.1676498), wk = 0.0028090 k( 312) = ( 0.5000000 -0.0000000 0.1524089), wk = 0.0028090 k( 313) = ( 0.5000000 -0.0000000 0.1371680), wk = 0.0028090 k( 314) = ( 0.5000000 -0.0000000 0.1219271), wk = 0.0028090 k( 315) = ( 0.5000000 -0.0000000 0.1066863), wk = 0.0028090 k( 316) = ( 0.5000000 -0.0000000 0.0914454), wk = 0.0028090 k( 317) = ( 0.5000000 -0.0000000 0.0762045), wk = 0.0028090 k( 318) = ( 0.5000000 -0.0000000 0.0609636), wk = 0.0028090 k( 319) = ( 0.5000000 -0.0000000 0.0457227), wk = 0.0028090 k( 320) = ( 0.5000000 -0.0000000 0.0304818), wk = 0.0028090 k( 321) = ( 0.5000000 -0.0000000 0.0152409), wk = 0.0028090 k( 322) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028090 k( 323) = ( 0.0000000 0.0000000 0.5029495), wk = 0.0028090 k( 324) = ( 0.0151515 -0.0000000 0.5029495), wk = 0.0028090 k( 325) = ( 0.0303030 -0.0000000 0.5029495), wk = 0.0028090 k( 326) = ( 0.0454546 -0.0000000 0.5029495), wk = 0.0028090 k( 327) = ( 0.0606061 -0.0000000 0.5029495), wk = 0.0028090 k( 328) = ( 0.0757576 -0.0000000 0.5029495), wk = 0.0028090 k( 329) = ( 0.0909091 -0.0000000 0.5029495), wk = 0.0028090 k( 330) = ( 0.1060606 -0.0000000 0.5029495), wk = 0.0028090 k( 331) = ( 0.1212121 -0.0000000 0.5029495), wk = 0.0028090 k( 332) = ( 0.1363636 -0.0000000 0.5029495), wk = 0.0028090 k( 333) = ( 0.1515151 -0.0000000 0.5029495), wk = 0.0028090 k( 334) = ( 0.1666667 -0.0000000 0.5029495), wk = 0.0028090 k( 335) = ( 0.1818182 -0.0000000 0.5029495), wk = 0.0028090 k( 336) = ( 0.1969697 -0.0000000 0.5029495), wk = 0.0028090 k( 337) = ( 0.2121212 -0.0000000 0.5029495), wk = 0.0028090 k( 338) = ( 0.2272727 -0.0000000 0.5029495), wk = 0.0028090 k( 339) = ( 0.2424242 -0.0000000 0.5029495), wk = 0.0028090 k( 340) = ( 0.2575758 -0.0000000 0.5029495), wk = 0.0028090 k( 341) = ( 0.2727273 -0.0000000 0.5029495), wk = 0.0028090 k( 342) = ( 0.2878788 -0.0000000 0.5029495), wk = 0.0028090 k( 343) = ( 0.3030303 -0.0000000 0.5029495), wk = 0.0028090 k( 344) = ( 0.3181818 -0.0000000 0.5029495), wk = 0.0028090 k( 345) = ( 0.3333333 -0.0000000 0.5029495), wk = 0.0028090 k( 346) = ( 0.3484849 -0.0000000 0.5029495), wk = 0.0028090 k( 347) = ( 0.3636364 -0.0000000 0.5029495), wk = 0.0028090 k( 348) = ( 0.3787879 -0.0000000 0.5029495), wk = 0.0028090 k( 349) = ( 0.3939394 -0.0000000 0.5029495), wk = 0.0028090 k( 350) = ( 0.4090909 -0.0000000 0.5029495), wk = 0.0028090 k( 351) = ( 0.4242424 -0.0000000 0.5029495), wk = 0.0028090 k( 352) = ( 0.4393939 -0.0000000 0.5029495), wk = 0.0028090 k( 353) = ( 0.4545455 -0.0000000 0.5029495), wk = 0.0028090 k( 354) = ( 0.4696970 -0.0000000 0.5029495), wk = 0.0028090 k( 355) = ( 0.4848485 -0.0000000 0.5029495), wk = 0.0028090 k( 356) = ( 0.5000000 -0.0000000 0.5029495), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0028090 k( 3) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0028090 k( 4) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0028090 k( 5) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0028090 k( 6) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0028090 k( 7) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0028090 k( 8) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0028090 k( 9) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0028090 k( 10) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0028090 k( 11) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0028090 k( 12) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028090 k( 13) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0028090 k( 14) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0028090 k( 15) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0028090 k( 16) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0028090 k( 17) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0028090 k( 18) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0028090 k( 19) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0028090 k( 20) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0028090 k( 21) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0028090 k( 22) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0028090 k( 23) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028090 k( 24) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0028090 k( 25) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0028090 k( 26) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0028090 k( 27) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0028090 k( 28) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0028090 k( 29) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0028090 k( 30) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0028090 k( 31) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0028090 k( 32) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0028090 k( 33) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0028090 k( 34) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 36) = ( 0.0000000 0.0088355 0.5002817), wk = 0.0028090 k( 37) = ( 0.0000000 0.0176710 0.5005633), wk = 0.0028090 k( 38) = ( 0.0000000 0.0265065 0.5008450), wk = 0.0028090 k( 39) = ( 0.0000000 0.0353420 0.5011267), wk = 0.0028090 k( 40) = ( 0.0000000 0.0441775 0.5014084), wk = 0.0028090 k( 41) = ( 0.0000000 0.0530130 0.5016900), wk = 0.0028090 k( 42) = ( 0.0000000 0.0618485 0.5019717), wk = 0.0028090 k( 43) = ( 0.0000000 0.0706840 0.5022534), wk = 0.0028090 k( 44) = ( 0.0000000 0.0795195 0.5025350), wk = 0.0028090 k( 45) = ( 0.0000000 0.0883551 0.5028167), wk = 0.0028090 k( 46) = ( 0.0000000 0.0971906 0.5030984), wk = 0.0028090 k( 47) = ( 0.0000000 0.1060261 0.5033801), wk = 0.0028090 k( 48) = ( 0.0000000 0.1148616 0.5036617), wk = 0.0028090 k( 49) = ( 0.0000000 0.1236971 0.5039434), wk = 0.0028090 k( 50) = ( 0.0000000 0.1325326 0.5042251), wk = 0.0028090 k( 51) = ( 0.0000000 0.1413681 0.5045067), wk = 0.0028090 k( 52) = ( 0.0000000 0.1502036 0.5047884), wk = 0.0028090 k( 53) = ( 0.0000000 0.1590391 0.5050701), wk = 0.0028090 k( 54) = ( 0.0000000 0.1678746 0.5053517), wk = 0.0028090 k( 55) = ( 0.0000000 0.1767101 0.5056334), wk = 0.0028090 k( 56) = ( 0.0000000 0.1855456 0.5059151), wk = 0.0028090 k( 57) = ( 0.0000000 0.1943811 0.5061967), wk = 0.0028090 k( 58) = ( 0.0000000 0.2032166 0.5064784), wk = 0.0028090 k( 59) = ( 0.0000000 0.2120521 0.5067601), wk = 0.0028090 k( 60) = ( 0.0000000 0.2208876 0.5070418), wk = 0.0028090 k( 61) = ( 0.0000000 0.2297231 0.5073234), wk = 0.0028090 k( 62) = ( 0.0000000 0.2385586 0.5076051), wk = 0.0028090 k( 63) = ( 0.0000000 0.2473941 0.5078868), wk = 0.0028090 k( 64) = ( 0.0000000 0.2562296 0.5081684), wk = 0.0028090 k( 65) = ( 0.0000000 0.2650652 0.5084501), wk = 0.0028090 k( 66) = ( 0.0000000 0.2739007 0.5087318), wk = 0.0028090 k( 67) = ( 0.0000000 0.2827362 0.5090135), wk = 0.0028090 k( 68) = ( 0.0000000 0.2915717 0.5092951), wk = 0.0028090 k( 69) = ( 0.0000000 0.3004072 0.5095768), wk = 0.0028090 k( 70) = ( 0.0000000 0.3092427 0.5098585), wk = 0.0028090 k( 71) = ( 0.0000000 0.3180782 0.5101401), wk = 0.0028090 k( 72) = ( 0.0000000 0.3269137 0.5104218), wk = 0.0028090 k( 73) = ( 0.0000000 0.3357492 0.5107035), wk = 0.0028090 k( 74) = ( 0.0000000 0.3445847 0.5109851), wk = 0.0028090 k( 75) = ( 0.0000000 0.3534202 0.5112668), wk = 0.0028090 k( 76) = ( 0.0000000 0.3622557 0.5115485), wk = 0.0028090 k( 77) = ( 0.0000000 0.3710912 0.5118302), wk = 0.0028090 k( 78) = ( 0.0000000 0.3799267 0.5121118), wk = 0.0028090 k( 79) = ( 0.0000000 0.3887622 0.5123935), wk = 0.0028090 k( 80) = ( 0.0000000 0.3975977 0.5126752), wk = 0.0028090 k( 81) = ( 0.0000000 0.4064332 0.5129568), wk = 0.0028090 k( 82) = ( 0.0000000 0.4152687 0.5132385), wk = 0.0028090 k( 83) = ( 0.0000000 0.4241042 0.5135202), wk = 0.0028090 k( 84) = ( 0.0000000 0.4329397 0.5138019), wk = 0.0028090 k( 85) = ( 0.0000000 0.4417753 0.5140835), wk = 0.0028090 k( 86) = ( 0.0000000 0.4506108 0.5143652), wk = 0.0028090 k( 87) = ( 0.0000000 0.4594463 0.5146469), wk = 0.0028090 k( 88) = ( 0.0000000 0.4682818 0.5149285), wk = 0.0028090 k( 89) = ( 0.0000000 0.4771173 0.5152102), wk = 0.0028090 k( 90) = ( 0.0000000 0.4859528 0.5154919), wk = 0.0028090 k( 91) = ( 0.0000000 0.4947883 0.5157736), wk = 0.0028090 k( 92) = ( 0.0000000 0.4947883 0.5157736), wk = 0.0028090 k( 93) = ( 0.0000000 0.4973941 0.5078868), wk = 0.0028090 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 96) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0028090 k( 97) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0028090 k( 98) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0028090 k( 99) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0028090 k( 100) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0028090 k( 101) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0028090 k( 102) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0028090 k( 103) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0028090 k( 104) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0028090 k( 105) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0028090 k( 106) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028090 k( 107) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0028090 k( 108) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0028090 k( 109) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0028090 k( 110) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0028090 k( 111) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0028090 k( 112) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0028090 k( 113) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0028090 k( 114) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0028090 k( 115) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0028090 k( 116) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0028090 k( 117) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028090 k( 118) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0028090 k( 119) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0028090 k( 120) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0028090 k( 121) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0028090 k( 122) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0028090 k( 123) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0028090 k( 124) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0028090 k( 125) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0028090 k( 126) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0028090 k( 127) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0028090 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 129) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 130) = ( 0.5000000 0.5026059 0.4921132), wk = 0.0028090 k( 131) = ( 0.5000000 0.5052117 0.4842265), wk = 0.0028090 k( 132) = ( 0.5000000 0.5052117 0.4842265), wk = 0.0028090 k( 133) = ( 0.5000000 0.5050489 0.4690944), wk = 0.0028090 k( 134) = ( 0.5000000 0.5048860 0.4539623), wk = 0.0028090 k( 135) = ( 0.5000000 0.5047231 0.4388302), wk = 0.0028090 k( 136) = ( 0.5000000 0.5045603 0.4236981), wk = 0.0028090 k( 137) = ( 0.5000000 0.5043974 0.4085661), wk = 0.0028090 k( 138) = ( 0.5000000 0.5042345 0.3934340), wk = 0.0028090 k( 139) = ( 0.5000000 0.5040717 0.3783019), wk = 0.0028090 k( 140) = ( 0.5000000 0.5039088 0.3631698), wk = 0.0028090 k( 141) = ( 0.5000000 0.5037459 0.3480378), wk = 0.0028090 k( 142) = ( 0.5000000 0.5035831 0.3329057), wk = 0.0028090 k( 143) = ( 0.5000000 0.5034202 0.3177736), wk = 0.0028090 k( 144) = ( 0.5000000 0.5032573 0.3026415), wk = 0.0028090 k( 145) = ( 0.5000000 0.5030945 0.2875095), wk = 0.0028090 k( 146) = ( 0.5000000 0.5029316 0.2723774), wk = 0.0028090 k( 147) = ( 0.5000000 0.5027687 0.2572453), wk = 0.0028090 k( 148) = ( 0.5000000 0.5026059 0.2421132), wk = 0.0028090 k( 149) = ( 0.5000000 0.5024430 0.2269812), wk = 0.0028090 k( 150) = ( 0.5000000 0.5022801 0.2118491), wk = 0.0028090 k( 151) = ( 0.5000000 0.5021173 0.1967170), wk = 0.0028090 k( 152) = ( 0.5000000 0.5019544 0.1815849), wk = 0.0028090 k( 153) = ( 0.5000000 0.5017915 0.1664528), wk = 0.0028090 k( 154) = ( 0.5000000 0.5016287 0.1513208), wk = 0.0028090 k( 155) = ( 0.5000000 0.5014658 0.1361887), wk = 0.0028090 k( 156) = ( 0.5000000 0.5013029 0.1210566), wk = 0.0028090 k( 157) = ( 0.5000000 0.5011401 0.1059245), wk = 0.0028090 k( 158) = ( 0.5000000 0.5009772 0.0907925), wk = 0.0028090 k( 159) = ( 0.5000000 0.5008143 0.0756604), wk = 0.0028090 k( 160) = ( 0.5000000 0.5006515 0.0605283), wk = 0.0028090 k( 161) = ( 0.5000000 0.5004886 0.0453962), wk = 0.0028090 k( 162) = ( 0.5000000 0.5003257 0.0302642), wk = 0.0028090 k( 163) = ( 0.5000000 0.5001629 0.0151321), wk = 0.0028090 k( 164) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 165) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028090 k( 166) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0028090 k( 167) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0028090 k( 168) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0028090 k( 169) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0028090 k( 170) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0028090 k( 171) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0028090 k( 172) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0028090 k( 173) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0028090 k( 174) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0028090 k( 175) = ( 0.3484849 0.5000000 0.0000000), wk = 0.0028090 k( 176) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0028090 k( 177) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0028090 k( 178) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0028090 k( 179) = ( 0.2878788 0.5000000 0.0000000), wk = 0.0028090 k( 180) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0028090 k( 181) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0028090 k( 182) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0028090 k( 183) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0028090 k( 184) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0028090 k( 185) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0028090 k( 186) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0028090 k( 187) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028090 k( 188) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0028090 k( 189) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0028090 k( 190) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0028090 k( 191) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0028090 k( 192) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0028090 k( 193) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0028090 k( 194) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0028090 k( 195) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0028090 k( 196) = ( 0.0303030 0.5000000 0.0000000), wk = 0.0028090 k( 197) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0028090 k( 198) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 199) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028090 k( 200) = ( 0.0000000 0.5001629 0.0151321), wk = 0.0028090 k( 201) = ( 0.0000000 0.5003257 0.0302642), wk = 0.0028090 k( 202) = ( 0.0000000 0.5004886 0.0453962), wk = 0.0028090 k( 203) = ( 0.0000000 0.5006515 0.0605283), wk = 0.0028090 k( 204) = ( 0.0000000 0.5008143 0.0756604), wk = 0.0028090 k( 205) = ( 0.0000000 0.5009772 0.0907925), wk = 0.0028090 k( 206) = ( 0.0000000 0.5011401 0.1059245), wk = 0.0028090 k( 207) = ( 0.0000000 0.5013029 0.1210566), wk = 0.0028090 k( 208) = ( 0.0000000 0.5014658 0.1361887), wk = 0.0028090 k( 209) = ( 0.0000000 0.5016287 0.1513208), wk = 0.0028090 k( 210) = ( 0.0000000 0.5017915 0.1664528), wk = 0.0028090 k( 211) = ( 0.0000000 0.5019544 0.1815849), wk = 0.0028090 k( 212) = ( 0.0000000 0.5021173 0.1967170), wk = 0.0028090 k( 213) = ( 0.0000000 0.5022801 0.2118491), wk = 0.0028090 k( 214) = ( 0.0000000 0.5024430 0.2269812), wk = 0.0028090 k( 215) = ( 0.0000000 0.5026059 0.2421132), wk = 0.0028090 k( 216) = ( 0.0000000 0.5027687 0.2572453), wk = 0.0028090 k( 217) = ( 0.0000000 0.5029316 0.2723774), wk = 0.0028090 k( 218) = ( 0.0000000 0.5030945 0.2875095), wk = 0.0028090 k( 219) = ( 0.0000000 0.5032573 0.3026415), wk = 0.0028090 k( 220) = ( 0.0000000 0.5034202 0.3177736), wk = 0.0028090 k( 221) = ( 0.0000000 0.5035831 0.3329057), wk = 0.0028090 k( 222) = ( 0.0000000 0.5037459 0.3480378), wk = 0.0028090 k( 223) = ( 0.0000000 0.5039088 0.3631698), wk = 0.0028090 k( 224) = ( 0.0000000 0.5040717 0.3783019), wk = 0.0028090 k( 225) = ( 0.0000000 0.5042345 0.3934340), wk = 0.0028090 k( 226) = ( 0.0000000 0.5043974 0.4085661), wk = 0.0028090 k( 227) = ( 0.0000000 0.5045603 0.4236982), wk = 0.0028090 k( 228) = ( 0.0000000 0.5047231 0.4388302), wk = 0.0028090 k( 229) = ( 0.0000000 0.5048860 0.4539623), wk = 0.0028090 k( 230) = ( 0.0000000 0.5050489 0.4690944), wk = 0.0028090 k( 231) = ( 0.0000000 0.5052117 0.4842265), wk = 0.0028090 k( 232) = ( 0.5000000 0.4947883 0.5157736), wk = 0.0028090 k( 233) = ( 0.5000000 0.4859528 0.5154919), wk = 0.0028090 k( 234) = ( 0.5000000 0.4771173 0.5152102), wk = 0.0028090 k( 235) = ( 0.5000000 0.4682818 0.5149285), wk = 0.0028090 k( 236) = ( 0.5000000 0.4594463 0.5146469), wk = 0.0028090 k( 237) = ( 0.5000000 0.4506108 0.5143652), wk = 0.0028090 k( 238) = ( 0.5000000 0.4417753 0.5140835), wk = 0.0028090 k( 239) = ( 0.5000000 0.4329397 0.5138019), wk = 0.0028090 k( 240) = ( 0.5000000 0.4241042 0.5135202), wk = 0.0028090 k( 241) = ( 0.5000000 0.4152687 0.5132385), wk = 0.0028090 k( 242) = ( 0.5000000 0.4064332 0.5129568), wk = 0.0028090 k( 243) = ( 0.5000000 0.3975977 0.5126752), wk = 0.0028090 k( 244) = ( 0.5000000 0.3887622 0.5123935), wk = 0.0028090 k( 245) = ( 0.5000000 0.3799267 0.5121118), wk = 0.0028090 k( 246) = ( 0.5000000 0.3710912 0.5118302), wk = 0.0028090 k( 247) = ( 0.5000000 0.3622557 0.5115485), wk = 0.0028090 k( 248) = ( 0.5000000 0.3534202 0.5112668), wk = 0.0028090 k( 249) = ( 0.5000000 0.3445847 0.5109852), wk = 0.0028090 k( 250) = ( 0.5000000 0.3357492 0.5107035), wk = 0.0028090 k( 251) = ( 0.5000000 0.3269137 0.5104218), wk = 0.0028090 k( 252) = ( 0.5000000 0.3180782 0.5101401), wk = 0.0028090 k( 253) = ( 0.5000000 0.3092427 0.5098585), wk = 0.0028090 k( 254) = ( 0.5000000 0.3004072 0.5095768), wk = 0.0028090 k( 255) = ( 0.5000000 0.2915717 0.5092951), wk = 0.0028090 k( 256) = ( 0.5000000 0.2827362 0.5090135), wk = 0.0028090 k( 257) = ( 0.5000000 0.2739007 0.5087318), wk = 0.0028090 k( 258) = ( 0.5000000 0.2650652 0.5084501), wk = 0.0028090 k( 259) = ( 0.5000000 0.2562296 0.5081684), wk = 0.0028090 k( 260) = ( 0.5000000 0.2473941 0.5078868), wk = 0.0028090 k( 261) = ( 0.5000000 0.2385586 0.5076051), wk = 0.0028090 k( 262) = ( 0.5000000 0.2297231 0.5073234), wk = 0.0028090 k( 263) = ( 0.5000000 0.2208876 0.5070418), wk = 0.0028090 k( 264) = ( 0.5000000 0.2120521 0.5067601), wk = 0.0028090 k( 265) = ( 0.5000000 0.2032166 0.5064784), wk = 0.0028090 k( 266) = ( 0.5000000 0.1943811 0.5061967), wk = 0.0028090 k( 267) = ( 0.5000000 0.1855456 0.5059151), wk = 0.0028090 k( 268) = ( 0.5000000 0.1767101 0.5056334), wk = 0.0028090 k( 269) = ( 0.5000000 0.1678746 0.5053517), wk = 0.0028090 k( 270) = ( 0.5000000 0.1590391 0.5050701), wk = 0.0028090 k( 271) = ( 0.5000000 0.1502036 0.5047884), wk = 0.0028090 k( 272) = ( 0.5000000 0.1413681 0.5045067), wk = 0.0028090 k( 273) = ( 0.5000000 0.1325326 0.5042251), wk = 0.0028090 k( 274) = ( 0.5000000 0.1236971 0.5039434), wk = 0.0028090 k( 275) = ( 0.5000000 0.1148616 0.5036617), wk = 0.0028090 k( 276) = ( 0.5000000 0.1060261 0.5033801), wk = 0.0028090 k( 277) = ( 0.5000000 0.0971906 0.5030984), wk = 0.0028090 k( 278) = ( 0.5000000 0.0883551 0.5028167), wk = 0.0028090 k( 279) = ( 0.5000000 0.0795195 0.5025350), wk = 0.0028090 k( 280) = ( 0.5000000 0.0706840 0.5022534), wk = 0.0028090 k( 281) = ( 0.5000000 0.0618485 0.5019717), wk = 0.0028090 k( 282) = ( 0.5000000 0.0530130 0.5016900), wk = 0.0028090 k( 283) = ( 0.5000000 0.0441775 0.5014083), wk = 0.0028090 k( 284) = ( 0.5000000 0.0353420 0.5011267), wk = 0.0028090 k( 285) = ( 0.5000000 0.0265065 0.5008450), wk = 0.0028090 k( 286) = ( 0.5000000 0.0176710 0.5005633), wk = 0.0028090 k( 287) = ( 0.5000000 0.0088355 0.5002817), wk = 0.0028090 k( 288) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 289) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 290) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0028090 k( 291) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0028090 k( 292) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0028090 k( 293) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0028090 k( 294) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0028090 k( 295) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0028090 k( 296) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0028090 k( 297) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0028090 k( 298) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0028090 k( 299) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0028090 k( 300) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028090 k( 301) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0028090 k( 302) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0028090 k( 303) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0028090 k( 304) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0028090 k( 305) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0028090 k( 306) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0028090 k( 307) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0028090 k( 308) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0028090 k( 309) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0028090 k( 310) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0028090 k( 311) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028090 k( 312) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0028090 k( 313) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0028090 k( 314) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0028090 k( 315) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0028090 k( 316) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0028090 k( 317) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0028090 k( 318) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0028090 k( 319) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0028090 k( 320) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0028090 k( 321) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0028090 k( 322) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028090 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 324) = ( 0.0151515 0.0000000 0.5000000), wk = 0.0028090 k( 325) = ( 0.0303030 0.0000000 0.5000000), wk = 0.0028090 k( 326) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0028090 k( 327) = ( 0.0606061 0.0000000 0.5000000), wk = 0.0028090 k( 328) = ( 0.0757576 0.0000000 0.5000000), wk = 0.0028090 k( 329) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0028090 k( 330) = ( 0.1060606 0.0000000 0.5000000), wk = 0.0028090 k( 331) = ( 0.1212121 0.0000000 0.5000000), wk = 0.0028090 k( 332) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0028090 k( 333) = ( 0.1515151 0.0000000 0.5000000), wk = 0.0028090 k( 334) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028090 k( 335) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0028090 k( 336) = ( 0.1969697 0.0000000 0.5000000), wk = 0.0028090 k( 337) = ( 0.2121212 0.0000000 0.5000000), wk = 0.0028090 k( 338) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0028090 k( 339) = ( 0.2424242 0.0000000 0.5000000), wk = 0.0028090 k( 340) = ( 0.2575758 -0.0000000 0.5000000), wk = 0.0028090 k( 341) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0028090 k( 342) = ( 0.2878788 0.0000000 0.5000000), wk = 0.0028090 k( 343) = ( 0.3030303 0.0000000 0.5000000), wk = 0.0028090 k( 344) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0028090 k( 345) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0028090 k( 346) = ( 0.3484849 -0.0000000 0.5000000), wk = 0.0028090 k( 347) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0028090 k( 348) = ( 0.3787879 0.0000000 0.5000000), wk = 0.0028090 k( 349) = ( 0.3939394 -0.0000000 0.5000000), wk = 0.0028090 k( 350) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0028090 k( 351) = ( 0.4242424 0.0000000 0.5000000), wk = 0.0028090 k( 352) = ( 0.4393939 0.0000000 0.5000000), wk = 0.0028090 k( 353) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0028090 k( 354) = ( 0.4696970 0.0000000 0.5000000), wk = 0.0028090 k( 355) = ( 0.4848485 0.0000000 0.5000000), wk = 0.0028090 k( 356) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 Dense grid: 43747 G-vectors FFT dimensions: ( 54, 32, 54) Smooth grid: 21177 G-vectors FFT dimensions: ( 45, 24, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 120, 62) NL pseudopotentials 0.11 Mb ( 60, 124) Each V/rho on FFT grid 0.05 Mb ( 3456) Each G-vector array 0.01 Mb ( 913) G-vector shells 0.01 Mb ( 887) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 120, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.23 Mb ( 124, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MoO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 45.9 secs Computing kpt #: 3 total cpu time spent up to now is 48.2 secs Computing kpt #: 4 total cpu time spent up to now is 50.6 secs Computing kpt #: 5 total cpu time spent up to now is 52.9 secs Computing kpt #: 6 total cpu time spent up to now is 55.2 secs Computing kpt #: 7 total cpu time spent up to now is 57.7 secs Computing kpt #: 8 total cpu time spent up to now is 60.1 secs Computing kpt #: 9 total cpu time spent up to now is 62.5 secs Computing kpt #: 10 total cpu time spent up to now is 65.0 secs Computing kpt #: 11 total cpu time spent up to now is 67.7 secs Computing kpt #: 12 total cpu time spent up to now is 70.3 secs Computing kpt #: 13 total cpu time spent up to now is 73.0 secs Computing kpt #: 14 total cpu time spent up to now is 75.6 secs Computing kpt #: 15 total cpu time spent up to now is 78.4 secs Computing kpt #: 16 total cpu time spent up to now is 82.5 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 97.6 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.6 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.7 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.6 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.5 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.5 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.5 secs Computing kpt #: 27 total cpu time spent up to now is 135.4 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 29 total cpu time spent up to now is 144.5 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.5 secs Computing kpt #: 31 total cpu time spent up to now is 153.5 secs Computing kpt #: 32 total cpu time spent up to now is 156.4 secs Computing kpt #: 33 total cpu time spent up to now is 159.5 secs Computing kpt #: 34 total cpu time spent up to now is 162.3 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 36 total cpu time spent up to now is 169.7 secs Computing kpt #: 37 total cpu time spent up to now is 173.9 secs Computing kpt #: 38 total cpu time spent up to now is 178.0 secs Computing kpt #: 39 total cpu time spent up to now is 182.3 secs Computing kpt #: 40 total cpu time spent up to now is 186.5 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.5 secs Computing kpt #: 42 total cpu time spent up to now is 196.0 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.9 secs Computing kpt #: 44 total cpu time spent up to now is 205.1 secs Computing kpt #: 45 total cpu time spent up to now is 208.4 secs Computing kpt #: 46 total cpu time spent up to now is 212.3 secs Computing kpt #: 47 total cpu time spent up to now is 216.3 secs Computing kpt #: 48 total cpu time spent up to now is 220.3 secs Computing kpt #: 49 total cpu time spent up to now is 223.2 secs Computing kpt #: 50 total cpu time spent up to now is 227.0 secs Computing kpt #: 51 total cpu time spent up to now is 230.9 secs Computing kpt #: 52 total cpu time spent up to now is 233.7 secs Computing kpt #: 53 total cpu time spent up to now is 236.6 secs Computing kpt #: 54 total cpu time spent up to now is 240.4 secs Computing kpt #: 55 total cpu time spent up to now is 244.6 secs Computing kpt #: 56 total cpu time spent up to now is 247.1 secs Computing kpt #: 57 total cpu time spent up to now is 250.1 secs Computing kpt #: 58 total cpu time spent up to now is 253.1 secs Computing kpt #: 59 total cpu time spent up to now is 256.1 secs Computing kpt #: 60 total cpu time spent up to now is 260.0 secs Computing kpt #: 61 total cpu time spent up to now is 262.9 secs Computing kpt #: 62 total cpu time spent up to now is 265.8 secs Computing kpt #: 63 total cpu time spent up to now is 268.6 secs Computing kpt #: 64 total cpu time spent up to now is 271.5 secs Computing kpt #: 65 total cpu time spent up to now is 274.4 secs Computing kpt #: 66 total cpu time spent up to now is 277.2 secs Computing kpt #: 67 total cpu time spent up to now is 279.9 secs Computing kpt #: 68 total cpu time spent up to now is 282.8 secs Computing kpt #: 69 total cpu time spent up to now is 285.4 secs Computing kpt #: 70 total cpu time spent up to now is 288.0 secs Computing kpt #: 71 total cpu time spent up to now is 290.7 secs Computing kpt #: 72 total cpu time spent up to now is 293.2 secs Computing kpt #: 73 total cpu time spent up to now is 295.8 secs Computing kpt #: 74 total cpu time spent up to now is 298.4 secs Computing kpt #: 75 total cpu time spent up to now is 301.0 secs Computing kpt #: 76 total cpu time spent up to now is 303.7 secs Computing kpt #: 77 total cpu time spent up to now is 306.3 secs Computing kpt #: 78 total cpu time spent up to now is 308.9 secs Computing kpt #: 79 total cpu time spent up to now is 311.4 secs Computing kpt #: 80 total cpu time spent up to now is 314.0 secs Computing kpt #: 81 total cpu time spent up to now is 316.6 secs Computing kpt #: 82 total cpu time spent up to now is 319.1 secs Computing kpt #: 83 total cpu time spent up to now is 321.6 secs Computing kpt #: 84 total cpu time spent up to now is 324.1 secs Computing kpt #: 85 total cpu time spent up to now is 326.7 secs Computing kpt #: 86 total cpu time spent up to now is 329.3 secs Computing kpt #: 87 total cpu time spent up to now is 331.8 secs Computing kpt #: 88 total cpu time spent up to now is 334.2 secs Computing kpt #: 89 total cpu time spent up to now is 336.7 secs Computing kpt #: 90 total cpu time spent up to now is 339.1 secs Computing kpt #: 91 total cpu time spent up to now is 341.6 secs Computing kpt #: 92 total cpu time spent up to now is 344.1 secs Computing kpt #: 93 total cpu time spent up to now is 346.6 secs Computing kpt #: 94 total cpu time spent up to now is 348.9 secs Computing kpt #: 95 total cpu time spent up to now is 351.3 secs Computing kpt #: 96 total cpu time spent up to now is 353.7 secs Computing kpt #: 97 total cpu time spent up to now is 356.2 secs Computing kpt #: 98 total cpu time spent up to now is 358.8 secs Computing kpt #: 99 total cpu time spent up to now is 361.3 secs Computing kpt #: 100 total cpu time spent up to now is 363.8 secs Computing kpt #: 101 total cpu time spent up to now is 366.3 secs Computing kpt #: 102 total cpu time spent up to now is 368.8 secs Computing kpt #: 103 total cpu time spent up to now is 371.3 secs Computing kpt #: 104 total cpu time spent up to now is 373.9 secs Computing kpt #: 105 total cpu time spent up to now is 376.4 secs Computing kpt #: 106 total cpu time spent up to now is 378.9 secs Computing kpt #: 107 total cpu time spent up to now is 381.5 secs Computing kpt #: 108 total cpu time spent up to now is 383.9 secs Computing kpt #: 109 total cpu time spent up to now is 386.5 secs Computing kpt #: 110 total cpu time spent up to now is 389.0 secs Computing kpt #: 111 total cpu time spent up to now is 391.5 secs Computing kpt #: 112 total cpu time spent up to now is 394.0 secs Computing kpt #: 113 total cpu time spent up to now is 396.7 secs Computing kpt #: 114 total cpu time spent up to now is 399.4 secs Computing kpt #: 115 total cpu time spent up to now is 402.1 secs Computing kpt #: 116 total cpu time spent up to now is 404.8 secs Computing kpt #: 117 total cpu time spent up to now is 407.7 secs Computing kpt #: 118 total cpu time spent up to now is 411.8 secs Computing kpt #: 119 total cpu time spent up to now is 415.7 secs Computing kpt #: 120 total cpu time spent up to now is 419.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.8 secs Computing kpt #: 122 total cpu time spent up to now is 429.0 secs Computing kpt #: 123 total cpu time spent up to now is 433.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.7 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.8 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 453.7 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.7 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.4 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 481.9 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.4 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.8 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 505.6 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.7 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.4 secs Computing kpt #: 142 total cpu time spent up to now is 523.6 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 528.2 secs Computing kpt #: 144 total cpu time spent up to now is 531.1 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 535.7 secs Computing kpt #: 146 total cpu time spent up to now is 538.4 secs Computing kpt #: 147 total cpu time spent up to now is 541.1 secs Computing kpt #: 148 total cpu time spent up to now is 543.7 secs Computing kpt #: 149 total cpu time spent up to now is 546.5 secs Computing kpt #: 150 total cpu time spent up to now is 549.1 secs Computing kpt #: 151 total cpu time spent up to now is 551.6 secs Computing kpt #: 152 total cpu time spent up to now is 554.2 secs Computing kpt #: 153 total cpu time spent up to now is 556.9 secs Computing kpt #: 154 total cpu time spent up to now is 559.6 secs Computing kpt #: 155 total cpu time spent up to now is 562.2 secs Computing kpt #: 156 total cpu time spent up to now is 564.7 secs Computing kpt #: 157 total cpu time spent up to now is 567.3 secs Computing kpt #: 158 total cpu time spent up to now is 569.9 secs Computing kpt #: 159 total cpu time spent up to now is 572.4 secs Computing kpt #: 160 total cpu time spent up to now is 574.9 secs Computing kpt #: 161 total cpu time spent up to now is 577.4 secs Computing kpt #: 162 total cpu time spent up to now is 579.9 secs Computing kpt #: 163 total cpu time spent up to now is 582.4 secs Computing kpt #: 164 total cpu time spent up to now is 584.8 secs Computing kpt #: 165 total cpu time spent up to now is 587.3 secs Computing kpt #: 166 total cpu time spent up to now is 590.0 secs Computing kpt #: 167 total cpu time spent up to now is 592.6 secs Computing kpt #: 168 total cpu time spent up to now is 595.2 secs Computing kpt #: 169 total cpu time spent up to now is 597.9 secs Computing kpt #: 170 total cpu time spent up to now is 600.6 secs Computing kpt #: 171 total cpu time spent up to now is 603.3 secs Computing kpt #: 172 total cpu time spent up to now is 606.0 secs Computing kpt #: 173 total cpu time spent up to now is 608.8 secs Computing kpt #: 174 total cpu time spent up to now is 611.5 secs Computing kpt #: 175 total cpu time spent up to now is 614.1 secs Computing kpt #: 176 total cpu time spent up to now is 616.9 secs Computing kpt #: 177 total cpu time spent up to now is 619.6 secs Computing kpt #: 178 total cpu time spent up to now is 622.3 secs Computing kpt #: 179 total cpu time spent up to now is 624.8 secs Computing kpt #: 180 total cpu time spent up to now is 627.6 secs Computing kpt #: 181 total cpu time spent up to now is 630.4 secs Computing kpt #: 182 total cpu time spent up to now is 633.2 secs Computing kpt #: 183 total cpu time spent up to now is 636.1 secs Computing kpt #: 184 total cpu time spent up to now is 638.8 secs Computing kpt #: 185 total cpu time spent up to now is 641.6 secs Computing kpt #: 186 total cpu time spent up to now is 644.5 secs Computing kpt #: 187 total cpu time spent up to now is 647.3 secs Computing kpt #: 188 total cpu time spent up to now is 650.8 secs Computing kpt #: 189 total cpu time spent up to now is 653.7 secs Computing kpt #: 190 total cpu time spent up to now is 656.8 secs Computing kpt #: 191 total cpu time spent up to now is 659.6 secs Computing kpt #: 192 total cpu time spent up to now is 662.4 secs Computing kpt #: 193 total cpu time spent up to now is 667.4 secs Computing kpt #: 194 total cpu time spent up to now is 671.7 secs Computing kpt #: 195 total cpu time spent up to now is 676.0 secs Computing kpt #: 196 total cpu time spent up to now is 679.1 secs Computing kpt #: 197 total cpu time spent up to now is 683.3 secs Computing kpt #: 198 total cpu time spent up to now is 687.3 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 692.0 secs Computing kpt #: 200 total cpu time spent up to now is 695.6 secs Computing kpt #: 201 total cpu time spent up to now is 699.5 secs Computing kpt #: 202 total cpu time spent up to now is 703.4 secs Computing kpt #: 203 total cpu time spent up to now is 707.0 secs Computing kpt #: 204 total cpu time spent up to now is 709.8 secs Computing kpt #: 205 total cpu time spent up to now is 712.9 secs Computing kpt #: 206 total cpu time spent up to now is 715.9 secs Computing kpt #: 207 total cpu time spent up to now is 718.6 secs Computing kpt #: 208 total cpu time spent up to now is 721.6 secs Computing kpt #: 209 total cpu time spent up to now is 724.4 secs Computing kpt #: 210 total cpu time spent up to now is 727.4 secs Computing kpt #: 211 total cpu time spent up to now is 730.4 secs Computing kpt #: 212 total cpu time spent up to now is 733.4 secs Computing kpt #: 213 total cpu time spent up to now is 736.4 secs Computing kpt #: 214 total cpu time spent up to now is 738.9 secs Computing kpt #: 215 total cpu time spent up to now is 741.5 secs Computing kpt #: 216 total cpu time spent up to now is 744.0 secs Computing kpt #: 217 total cpu time spent up to now is 746.7 secs Computing kpt #: 218 total cpu time spent up to now is 749.2 secs Computing kpt #: 219 total cpu time spent up to now is 751.7 secs Computing kpt #: 220 total cpu time spent up to now is 754.3 secs Computing kpt #: 221 total cpu time spent up to now is 756.8 secs Computing kpt #: 222 total cpu time spent up to now is 759.5 secs Computing kpt #: 223 total cpu time spent up to now is 762.0 secs Computing kpt #: 224 total cpu time spent up to now is 764.6 secs Computing kpt #: 225 total cpu time spent up to now is 767.1 secs Computing kpt #: 226 total cpu time spent up to now is 769.7 secs Computing kpt #: 227 total cpu time spent up to now is 772.2 secs Computing kpt #: 228 total cpu time spent up to now is 774.6 secs Computing kpt #: 229 total cpu time spent up to now is 777.2 secs Computing kpt #: 230 total cpu time spent up to now is 779.7 secs Computing kpt #: 231 total cpu time spent up to now is 782.2 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 786.9 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 791.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 796.3 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 801.0 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.8 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 810.5 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.1 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 819.9 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 824.5 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 829.2 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 833.9 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 838.5 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 843.2 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.8 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 852.5 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 857.1 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 861.8 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 866.5 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.1 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 875.8 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.4 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 885.1 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.8 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.1 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.7 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 908.4 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 917.7 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 922.3 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.0 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.6 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.2 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 940.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.4 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 950.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 954.8 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 959.5 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 964.1 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.7 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.4 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 978.0 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.6 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 987.3 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 991.9 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 996.4 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1001.0 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.6 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.2 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1014.9 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.6 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1024.1 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1028.8 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.4 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.0 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.6 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1047.2 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1051.8 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1056.4 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1061.2 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1065.8 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.4 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1075.1 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1079.9 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.5 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1089.1 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.7 secs Computing kpt #: 299 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1098.3 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.0 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1107.6 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1112.3 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1117.3 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1122.0 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1126.6 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1131.3 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.9 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1140.6 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1145.4 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1150.0 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1154.7 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1159.4 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.0 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1168.6 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1173.3 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.0 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1182.6 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1187.3 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1192.0 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1196.7 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1206.1 secs Computing kpt #: 323 total cpu time spent up to now is 1210.0 secs Computing kpt #: 324 total cpu time spent up to now is 1213.8 secs Computing kpt #: 325 total cpu time spent up to now is 1217.9 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1222.8 secs Computing kpt #: 327 total cpu time spent up to now is 1225.0 secs Computing kpt #: 328 total cpu time spent up to now is 1229.2 secs Computing kpt #: 329 total cpu time spent up to now is 1233.8 secs Computing kpt #: 330 total cpu time spent up to now is 1238.3 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1243.2 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1248.1 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1253.0 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1258.0 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1262.9 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.9 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1272.8 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1277.7 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1282.6 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1287.5 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1292.4 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1297.3 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1302.2 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1307.1 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1311.9 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1317.0 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1321.9 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1326.7 secs Computing kpt #: 349 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1331.7 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1336.5 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1341.4 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1346.2 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1351.2 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1356.1 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1360.9 secs Computing kpt #: 356 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1365.5 secs ethr = 1.92E-11, avg # of iterations = 81.8 total cpu time spent up to now is 1365.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2623 PWs) bands (ev): -48.8370 -48.8370 -48.8212 -48.8212 -24.7143 -24.7143 -24.5831 -24.5831 -22.4807 -22.4807 -22.2579 -22.2579 -21.9032 -21.9032 -21.8311 -21.8311 -7.1539 -7.1539 -6.5056 -6.5056 -5.1570 -5.1570 -4.9879 -4.9879 4.7171 4.7171 5.2470 5.2470 5.3859 5.3859 7.6047 7.6047 7.6625 7.6625 8.5446 8.5446 8.6545 8.6545 9.3927 9.3927 9.9692 9.9692 10.1450 10.1450 10.2513 10.2513 11.2315 11.2315 11.3344 11.3344 11.9568 11.9568 12.8879 12.8879 13.8315 13.8315 13.9188 13.9188 16.5846 16.5846 16.7887 16.7887 k = 0.0000 0.0000 0.0152 ( 2623 PWs) bands (ev): -48.8370 -48.8370 -48.8212 -48.8212 -24.7145 -24.7140 -24.5834 -24.5828 -22.4808 -22.4804 -22.2583 -22.2577 -21.9033 -21.9030 -21.8313 -21.8309 -7.1534 -7.1529 -6.5058 -6.5049 -5.1590 -5.1569 -4.9894 -4.9875 4.7184 4.7189 5.2485 5.2488 5.3871 5.3875 7.6041 7.6053 7.6625 7.6633 8.5315 8.5531 8.6415 8.6633 9.3919 9.3924 9.9569 9.9672 10.1380 10.1479 10.2485 10.2554 11.2310 11.2356 11.3342 11.3358 11.9576 11.9579 12.8903 12.8925 13.8234 13.8442 13.9107 13.9314 16.5830 16.5848 16.7883 16.7897 k = 0.0000 0.0000 0.0305 ( 2626 PWs) bands (ev): -48.8370 -48.8370 -48.8213 -48.8213 -24.7146 -24.7136 -24.5838 -24.5828 -22.4807 -22.4799 -22.2590 -22.2578 -21.9034 -21.9028 -21.8317 -21.8307 -7.1514 -7.1504 -6.5053 -6.5035 -5.1628 -5.1587 -4.9921 -4.9883 4.7228 4.7237 5.2534 5.2540 5.3911 5.3919 7.6035 7.6059 7.6632 7.6648 8.5141 8.5564 8.6249 8.6676 9.3901 9.3911 9.9329 9.9511 10.1274 10.1447 10.2468 10.2602 11.2340 11.2427 11.3358 11.3389 11.9605 11.9611 12.8998 12.9041 13.8199 13.8614 13.9072 13.9483 16.5797 16.5833 16.7886 16.7915 k = 0.0000 0.0000 0.0457 ( 2622 PWs) bands (ev): -48.8369 -48.8369 -48.8213 -48.8213 -24.7145 -24.7130 -24.5844 -24.5828 -22.4803 -22.4792 -22.2598 -22.2580 -21.9034 -21.9025 -21.8321 -21.8307 -7.1479 -7.1465 -6.5041 -6.5014 -5.1684 -5.1625 -4.9958 -4.9903 4.7302 4.7316 5.2616 5.2625 5.3979 5.3991 7.6029 7.6065 7.6646 7.6669 8.4927 8.5535 8.6060 8.6670 9.3871 9.3886 9.9007 9.9237 10.1119 10.1334 10.2458 10.2644 11.2394 11.2514 11.3402 11.3449 11.9653 11.9661 12.9160 12.9224 13.8211 13.8828 13.9082 13.9695 16.5743 16.5796 16.7902 16.7946 k = 0.0000 0.0000 0.0610 ( 2622 PWs) bands (ev): -48.8368 -48.8368 -48.8213 -48.8213 -24.7143 -24.7123 -24.5851 -24.5830 -22.4798 -22.4782 -22.2609 -22.2585 -21.9033 -21.9022 -21.8326 -21.8307 -7.1429 -7.1410 -6.5023 -6.4988 -5.1759 -5.1681 -5.0006 -4.9934 4.7406 4.7425 5.2730 5.2742 5.4075 5.4091 7.6023 7.6070 7.6668 7.6697 8.4676 8.5424 8.5866 8.6614 9.3830 9.3848 9.8631 9.8886 10.0903 10.1140 10.2439 10.2663 11.2454 11.2590 11.3496 11.3557 11.9719 11.9729 12.9388 12.9472 13.8270 13.9079 13.9145 13.9948 16.5660 16.5728 16.7938 16.7998 k = 0.0000 0.0000 0.0762 ( 2622 PWs) bands (ev): -48.8368 -48.8368 -48.8214 -48.8214 -24.7140 -24.7115 -24.5860 -24.5833 -22.4790 -22.4771 -22.2621 -22.2592 -21.9032 -21.9018 -21.8332 -21.8308 -7.1365 -7.1341 -6.4999 -6.4955 -5.1850 -5.1757 -5.0063 -4.9976 4.7541 4.7564 5.2875 5.2891 5.4199 5.4220 7.6015 7.6074 7.6697 7.6731 8.4389 8.5215 8.5684 8.6506 9.3775 9.3796 9.8224 9.8487 10.0622 10.0872 10.2398 10.2648 11.2496 11.2630 11.3655 11.3737 11.9801 11.9814 12.9676 12.9779 13.8375 13.9234 13.9387 14.0239 16.5540 16.5623 16.8004 16.8080 k = 0.0000 0.0000 0.0914 ( 2621 PWs) bands (ev): -48.8367 -48.8367 -48.8214 -48.8214 -24.7136 -24.7106 -24.5870 -24.5838 -22.4781 -22.4758 -22.2636 -22.2601 -21.9031 -21.9014 -21.8338 -21.8310 -7.1286 -7.1258 -6.4969 -6.4917 -5.1959 -5.1853 -5.0128 -5.0030 4.7706 4.7733 5.3051 5.3070 5.4353 5.4378 7.6005 7.6076 7.6732 7.6771 8.4070 8.4924 8.5500 8.6343 9.3705 9.3727 9.7803 9.8064 10.0283 10.0538 10.2324 10.2591 11.2505 11.2624 11.3886 11.3997 11.9897 11.9913 13.0021 13.0142 13.8525 13.9381 13.9719 14.0567 16.5377 16.5472 16.8107 16.8199 k = 0.0000 0.0000 0.1067 ( 2621 PWs) bands (ev): -48.8366 -48.8366 -48.8215 -48.8215 -24.7130 -24.7095 -24.5880 -24.5844 -22.4769 -22.4742 -22.2653 -22.2613 -21.9029 -21.9009 -21.8346 -21.8313 -7.1193 -7.1161 -6.4934 -6.4873 -5.2085 -5.1968 -5.0202 -5.0094 4.7900 4.7932 5.3255 5.3278 5.4537 5.4565 7.5992 7.6075 7.6773 7.6815 8.3720 8.4577 8.5288 8.6125 9.3617 9.3638 9.7381 9.7631 9.9893 10.0149 10.2213 10.2489 11.2479 11.2581 11.4182 11.4325 12.0007 12.0025 13.0418 13.0555 13.8719 13.9569 14.0087 14.0930 16.5169 16.5275 16.8249 16.8358 k = 0.0000 0.0000 0.1219 ( 2627 PWs) bands (ev): -48.8366 -48.8366 -48.8216 -48.8216 -24.7123 -24.7084 -24.5893 -24.5851 -22.4755 -22.4725 -22.2673 -22.2627 -21.9026 -21.9004 -21.8354 -21.8316 -7.1087 -7.1050 -6.4892 -6.4824 -5.2227 -5.2101 -5.0284 -5.0167 4.8123 4.8160 5.3486 5.3512 5.4752 5.4783 7.5974 7.6069 7.6817 7.6864 8.3343 8.4190 8.5037 8.5852 9.3507 9.3527 9.6967 9.7198 9.9467 9.9718 10.2065 10.2346 11.2422 11.2508 11.4532 11.4703 12.0128 12.0147 13.0860 13.1012 13.8954 13.9798 14.0489 14.1325 16.4914 16.5029 16.8431 16.8558 k = 0.0000 0.0000 0.1372 ( 2631 PWs) bands (ev): -48.8366 -48.8366 -48.8218 -48.8218 -24.7116 -24.7072 -24.5906 -24.5860 -22.4740 -22.4706 -22.2693 -22.2643 -21.9023 -21.8998 -21.8362 -21.8321 -7.0967 -7.0926 -6.4845 -6.4769 -5.2384 -5.2253 -5.0372 -5.0250 4.8375 4.8416 5.3742 5.3771 5.4998 5.5032 7.5950 7.6058 7.6864 7.6917 8.2943 8.3773 8.4740 8.5525 9.3372 9.3388 9.6567 9.6773 9.9017 9.9259 10.1884 10.2165 11.2339 11.2412 11.4923 11.5118 12.0258 12.0280 13.1343 13.1509 13.9230 14.0066 14.0921 14.1749 16.4615 16.4739 16.8653 16.8797 k = 0.0000 0.0000 0.1524 ( 2627 PWs) bands (ev): -48.8364 -48.8364 -48.8218 -48.8218 -24.7106 -24.7058 -24.5920 -24.5869 -22.4722 -22.4685 -22.2716 -22.2660 -21.9020 -21.8992 -21.8371 -21.8326 -7.0835 -7.0790 -6.4793 -6.4710 -5.2556 -5.2422 -5.0466 -5.0340 4.8655 4.8701 5.4021 5.4053 5.5276 5.5313 7.5916 7.6039 7.6910 7.6972 8.2524 8.3330 8.4397 8.5146 9.3204 9.3215 9.6182 9.6358 9.8562 9.8789 10.1672 10.1952 11.2234 11.2297 11.5342 11.5557 12.0396 12.0421 13.1862 13.2041 13.9543 14.0371 14.1380 14.2200 16.4274 16.4406 16.8910 16.9073 k = 0.0000 0.0000 0.1676 ( 2630 PWs) bands (ev): -48.8363 -48.8363 -48.8220 -48.8220 -24.7096 -24.7044 -24.5935 -24.5880 -22.4703 -22.4662 -22.2740 -22.2680 -21.9016 -21.8985 -21.8380 -21.8331 -7.0690 -7.0641 -6.4735 -6.4647 -5.2743 -5.2608 -5.0565 -5.0439 4.8962 4.9013 5.4320 5.4354 5.5588 5.5625 7.5871 7.6009 7.6952 7.7029 8.2090 8.2867 8.4012 8.4720 9.2995 9.2998 9.5812 9.5954 9.8121 9.8327 10.1435 10.1711 11.2111 11.2166 11.5781 11.6012 12.0541 12.0568 13.2412 13.2602 13.9891 14.0710 14.1864 14.2675 16.3894 16.4035 16.9201 16.9384 k = 0.0000 0.0000 0.1829 ( 2632 PWs) bands (ev): -48.8362 -48.8362 -48.8222 -48.8222 -24.7085 -24.7029 -24.5951 -24.5892 -22.4682 -22.4638 -22.2766 -22.2702 -21.9011 -21.8978 -21.8390 -21.8338 -7.0533 -7.0481 -6.4674 -6.4579 -5.2943 -5.2809 -5.0670 -5.0543 4.9296 4.9351 5.4638 5.4673 5.5933 5.5970 7.5810 7.5965 7.6985 7.7084 8.1650 8.2389 8.3590 8.4254 9.2727 9.2735 9.5453 9.5564 9.7714 9.7893 10.1177 10.1448 11.1972 11.2020 11.6231 11.6475 12.0692 12.0721 13.2989 13.3189 14.0270 14.1080 14.2370 14.3171 16.3478 16.3628 16.9519 16.9723 k = 0.0000 0.0000 0.1981 ( 2632 PWs) bands (ev): -48.8360 -48.8360 -48.8223 -48.8223 -24.7073 -24.7013 -24.5968 -24.5905 -22.4659 -22.4612 -22.2794 -22.2726 -21.9006 -21.8971 -21.8400 -21.8345 -7.0366 -7.0310 -6.4608 -6.4508 -5.3155 -5.3025 -5.0778 -5.0653 4.9656 4.9716 5.4973 5.5007 5.6312 5.6347 7.5731 7.5904 7.7003 7.7133 8.1210 8.1901 8.3138 8.3756 9.2390 9.2410 9.5104 9.5194 9.7356 9.7507 10.0902 10.1167 11.1820 11.1862 11.6685 11.6938 12.0846 12.0877 13.3589 13.3797 14.0679 14.1479 14.2896 14.3686 16.3030 16.3188 16.9860 17.0089 k = 0.0000 0.0000 0.2134 ( 2630 PWs) bands (ev): -48.8358 -48.8358 -48.8225 -48.8225 -24.7059 -24.6996 -24.5985 -24.5918 -22.4635 -22.4585 -22.2822 -22.2751 -21.9001 -21.8963 -21.8411 -21.8352 -7.0188 -7.0129 -6.4539 -6.4434 -5.3379 -5.3253 -5.0889 -5.0767 5.0041 5.0105 5.5323 5.5357 5.6723 5.6755 7.5628 7.5820 7.6996 7.7170 8.0783 8.1410 8.2667 8.3235 9.1975 9.2011 9.4768 9.4852 9.7058 9.7181 10.0614 10.0872 11.1656 11.1694 11.7137 11.7398 12.1002 12.1036 13.4209 13.4424 14.1113 14.1903 14.3438 14.4217 16.2552 16.2719 17.0216 17.0474 k = 0.0000 0.0000 0.2286 ( 2631 PWs) bands (ev): -48.8356 -48.8356 -48.8227 -48.8227 -24.7045 -24.6978 -24.6004 -24.5933 -22.4609 -22.4556 -22.2853 -22.2778 -21.8995 -21.8954 -21.8422 -21.8360 -7.0001 -6.9939 -6.4466 -6.4358 -5.3613 -5.3493 -5.1003 -5.0885 5.0449 5.0518 5.5688 5.5719 5.7164 5.7193 7.5497 7.5707 7.6953 7.7184 8.0382 8.0927 8.2189 8.2703 9.1479 9.1532 9.4452 9.4541 9.6822 9.6922 10.0317 10.0568 11.1483 11.1516 11.7584 11.7850 12.1159 12.1196 13.4844 13.5067 14.1570 14.2349 14.3993 14.4760 16.2046 16.2224 17.0577 17.0871 k = 0.0000 0.0000 0.2439 ( 2630 PWs) bands (ev): -48.8355 -48.8355 -48.8228 -48.8228 -24.7029 -24.6959 -24.6023 -24.5950 -22.4581 -22.4526 -22.2884 -22.2807 -21.8988 -21.8946 -21.8433 -21.8369 -6.9806 -6.9741 -6.4391 -6.4279 -5.3856 -5.3743 -5.1119 -5.1005 5.0880 5.0953 5.6065 5.6095 5.7634 5.7659 7.5333 7.5560 7.6855 7.7158 8.0026 8.0466 8.1716 8.2173 9.0905 9.0975 9.4166 9.4259 9.6643 9.6726 10.0014 10.0257 11.1301 11.1331 11.8020 11.8289 12.1316 12.1356 13.5494 13.5721 14.2045 14.2813 14.4558 14.5312 16.1516 16.1705 17.0926 17.1268 k = 0.0000 0.0000 0.2591 ( 2635 PWs) bands (ev): -48.8353 -48.8353 -48.8231 -48.8231 -24.7013 -24.6941 -24.6042 -24.5967 -22.4552 -22.4495 -22.2917 -22.2838 -21.8982 -21.8937 -21.8444 -21.8379 -6.9604 -6.9537 -6.4313 -6.4200 -5.4106 -5.4000 -5.1236 -5.1126 5.1332 5.1409 5.6454 5.6482 5.8130 5.8151 7.5131 7.5370 7.6685 7.7069 7.9731 8.0054 8.1260 8.1658 9.0267 9.0352 9.3908 9.4005 9.6516 9.6585 9.9709 9.9942 11.1114 11.1140 11.8443 11.8713 12.1471 12.1514 13.6153 13.6385 14.2537 14.3293 14.5131 14.5869 16.0965 16.1165 17.1235 17.1650 k = 0.0000 0.0000 0.2743 ( 2633 PWs) bands (ev): -48.8351 -48.8351 -48.8232 -48.8232 -24.6996 -24.6922 -24.6062 -24.5984 -22.4522 -22.4463 -22.2950 -22.2869 -21.8974 -21.8928 -21.8456 -21.8389 -6.9396 -6.9327 -6.4234 -6.4119 -5.4362 -5.4264 -5.1353 -5.1248 5.1803 5.1884 5.6855 5.6881 5.8649 5.8665 7.4887 7.5132 7.6428 7.6886 7.9509 7.9724 8.0831 8.1172 8.9580 8.9676 9.3677 9.3775 9.6432 9.6491 9.9404 9.9628 11.0922 11.0945 11.8850 11.9120 12.1622 12.1669 13.6821 13.7056 14.3040 14.3784 14.5708 14.6429 16.0393 16.0606 17.1455 17.1987 k = 0.0000 0.0000 0.2896 ( 2633 PWs) bands (ev): -48.8349 -48.8349 -48.8235 -48.8235 -24.6979 -24.6902 -24.6082 -24.6002 -22.4491 -22.4430 -22.2983 -22.2901 -21.8967 -21.8919 -21.8467 -21.8399 -6.9184 -6.9114 -6.4154 -6.4039 -5.4622 -5.4532 -5.1469 -5.1369 5.2291 5.2376 5.7265 5.7291 5.9186 5.9199 7.4599 7.4843 7.6085 7.6585 7.9355 7.9506 8.0437 8.0724 8.8860 8.8964 9.3469 9.3566 9.6382 9.6435 9.9103 9.9317 11.0728 11.0748 11.9239 11.9507 12.1768 12.1820 13.7493 13.7732 14.3552 14.4283 14.6284 14.6987 15.9805 16.0031 17.1516 17.2150 k = 0.0000 0.0000 0.3048 ( 2635 PWs) bands (ev): -48.8347 -48.8347 -48.8237 -48.8237 -24.6961 -24.6883 -24.6102 -24.6021 -22.4460 -22.4397 -22.3017 -22.2935 -21.8959 -21.8910 -21.8478 -21.8409 -6.8969 -6.8898 -6.4074 -6.3959 -5.4883 -5.4802 -5.1583 -5.1488 5.2795 5.2883 5.7684 5.7711 5.9736 5.9750 7.4267 7.4501 7.5666 7.6168 7.9260 7.9396 8.0082 8.0322 8.8122 8.8231 9.3279 9.3374 9.6361 9.6408 9.8809 9.9012 11.0534 11.0552 11.9609 11.9874 12.1909 12.1964 13.8168 13.8410 14.4069 14.4786 14.6858 14.7539 15.9202 15.9444 17.1377 17.1735 k = 0.0000 0.0000 0.3201 ( 2635 PWs) bands (ev): -48.8345 -48.8345 -48.8239 -48.8239 -24.6942 -24.6864 -24.6122 -24.6040 -22.4427 -22.4363 -22.3052 -22.2969 -21.8951 -21.8902 -21.8488 -21.8420 -6.8753 -6.8682 -6.3994 -6.3881 -5.5144 -5.5071 -5.1694 -5.1605 5.3311 5.3402 5.8110 5.8138 6.0296 6.0313 7.3896 7.4112 7.5186 7.5661 7.9218 7.9355 7.9774 7.9971 8.7379 8.7489 9.3106 9.3199 9.6362 9.6404 9.8524 9.8716 11.0341 11.0358 11.9958 12.0217 12.2042 12.2101 13.8842 13.9086 14.4587 14.5290 14.7423 14.8080 15.8587 15.8846 17.1086 17.1325 k = 0.0000 0.0000 0.3353 ( 2641 PWs) bands (ev): -48.8343 -48.8343 -48.8242 -48.8242 -24.6923 -24.6845 -24.6142 -24.6060 -22.4394 -22.4330 -22.3086 -22.3004 -21.8942 -21.8893 -21.8499 -21.8432 -6.8538 -6.8467 -6.3916 -6.3805 -5.5403 -5.5337 -5.1801 -5.1717 5.3837 5.3930 5.8541 5.8572 6.0861 6.0883 7.3489 7.3682 7.4665 7.5094 7.9189 7.9328 7.9539 7.9688 8.6642 8.6751 9.2948 9.3038 9.6379 9.6417 9.8253 9.8432 11.0153 11.0167 12.0284 12.0537 12.2166 12.2230 13.9513 13.9759 14.5103 14.5790 14.7977 14.8604 15.7963 15.8242 17.0719 17.0924 k = 0.0000 0.0000 0.3505 ( 2643 PWs) bands (ev): -48.8342 -48.8342 -48.8244 -48.8244 -24.6904 -24.6826 -24.6161 -24.6080 -22.4361 -22.4297 -22.3120 -22.3039 -21.8934 -21.8885 -21.8509 -21.8443 -6.8326 -6.8257 -6.3839 -6.3733 -5.5655 -5.5597 -5.1903 -5.1825 5.4368 5.4463 5.8974 5.9009 6.1424 6.1452 7.3055 7.3222 7.4119 7.4497 7.9053 7.9236 7.9423 7.9578 8.5924 8.6029 9.2805 9.2890 9.6407 9.6441 9.7998 9.8162 10.9971 10.9984 12.0588 12.0832 12.2281 12.2349 14.0176 14.0423 14.5613 14.6282 14.8513 14.9107 15.7334 15.7635 17.0326 17.0528 k = 0.0000 0.0000 0.3658 ( 2641 PWs) bands (ev): -48.8338 -48.8338 -48.8247 -48.8247 -24.6885 -24.6809 -24.6178 -24.6100 -22.4328 -22.4265 -22.3152 -22.3073 -21.8925 -21.8877 -21.8518 -21.8454 -6.8121 -6.8053 -6.3766 -6.3664 -5.5899 -5.5848 -5.1999 -5.1926 5.4900 5.4995 5.9407 5.9445 6.1980 6.2013 7.2602 7.2743 7.3563 7.3890 7.8833 7.9007 7.9463 7.9618 8.5234 8.5333 9.2676 9.2756 9.6440 9.6471 9.7764 9.7911 10.9798 10.9809 12.0868 12.1103 12.2386 12.2458 14.0827 14.1075 14.6113 14.6764 14.9026 14.9582 15.6703 15.7029 16.9932 17.0141 k = 0.0000 0.0000 0.3810 ( 2641 PWs) bands (ev): -48.8337 -48.8337 -48.8248 -48.8248 -24.6865 -24.6792 -24.6195 -24.6120 -22.4295 -22.4235 -22.3183 -22.3108 -21.8916 -21.8870 -21.8526 -21.8465 -6.7924 -6.7859 -6.3696 -6.3600 -5.6131 -5.6087 -5.2087 -5.2021 5.5427 5.5522 5.9835 5.9876 6.2519 6.2557 7.2142 7.2258 7.3013 7.3293 7.8596 7.8750 7.9554 7.9700 8.4584 8.4675 9.2561 9.2636 9.6473 9.6503 9.7554 9.7683 10.9635 10.9645 12.1123 12.1347 12.2479 12.2554 14.1461 14.1708 14.6600 14.7230 14.9510 15.0022 15.6075 15.6429 16.9553 16.9767 k = 0.0000 0.0000 0.3963 ( 2644 PWs) bands (ev): -48.8335 -48.8335 -48.8251 -48.8251 -24.6847 -24.6778 -24.6211 -24.6140 -22.4264 -22.4206 -22.3212 -22.3141 -21.8908 -21.8864 -21.8533 -21.8476 -6.7738 -6.7678 -6.3630 -6.3542 -5.6349 -5.6311 -5.2167 -5.2108 5.5942 5.6035 6.0252 6.0295 6.3031 6.3075 7.1686 7.1778 7.2484 7.2719 7.8355 7.8487 7.9665 7.9801 8.3984 8.4065 9.2460 9.2528 9.6497 9.6530 9.7375 9.7483 10.9485 10.9493 12.1354 12.1564 12.2561 12.2638 14.2071 14.2314 14.7072 14.7678 14.9956 15.0418 15.5456 15.5843 16.9198 16.9412 k = 0.0000 0.0000 0.4115 ( 2642 PWs) bands (ev): -48.8333 -48.8333 -48.8252 -48.8252 -24.6828 -24.6764 -24.6224 -24.6159 -22.4233 -22.4179 -22.3239 -22.3173 -21.8899 -21.8859 -21.8538 -21.8487 -6.7567 -6.7512 -6.3569 -6.3491 -5.6547 -5.6515 -5.2238 -5.2186 5.6436 5.6524 6.0650 6.0696 6.3504 6.3552 7.1247 7.1319 7.1989 7.2185 7.8111 7.8222 7.9786 7.9913 8.3441 8.3512 9.2373 9.2435 9.6507 9.6546 9.7232 9.7317 10.9350 10.9357 12.1560 12.1754 12.2631 12.2709 14.2648 14.2885 14.7526 14.8105 15.0352 15.0763 15.4857 15.5279 16.8876 16.9083 k = 0.0000 0.0000 0.4267 ( 2640 PWs) bands (ev): -48.8331 -48.8331 -48.8253 -48.8253 -24.6810 -24.6753 -24.6235 -24.6177 -22.4204 -22.4156 -22.3261 -22.3204 -21.8890 -21.8855 -21.8543 -21.8498 -6.7414 -6.7366 -6.3515 -6.3447 -5.6723 -5.6697 -5.2299 -5.2255 5.6898 5.6980 6.1022 6.1068 6.3926 6.3977 7.0839 7.0894 7.1545 7.1703 7.7868 7.7957 7.9914 8.0030 8.2961 8.3024 9.2301 9.2354 9.6496 9.6543 9.7132 9.7193 10.9232 10.9238 12.1741 12.1915 12.2689 12.2766 14.3183 14.3407 14.7962 14.8508 15.0683 15.1048 15.4293 15.4749 16.8593 16.8786 k = 0.0000 0.0000 0.4420 ( 2642 PWs) bands (ev): -48.8330 -48.8330 -48.8255 -48.8255 -24.6794 -24.6746 -24.6243 -24.6194 -22.4178 -22.4137 -22.3280 -22.3231 -21.8882 -21.8852 -21.8545 -21.8508 -6.7282 -6.7241 -6.3468 -6.3411 -5.6873 -5.6852 -5.2349 -5.2313 5.7314 5.7386 6.1356 6.1399 6.4283 6.4334 7.0476 7.0517 7.1166 7.1290 7.7635 7.7702 8.0046 8.0150 8.2550 8.2605 9.2244 9.2288 9.6466 9.6517 9.7072 9.7114 10.9133 10.9137 12.1895 12.2045 12.2737 12.2808 14.3662 14.3865 14.8379 14.8883 15.0928 15.1260 15.3788 15.4269 16.8357 16.8527 k = 0.0000 0.0000 0.4572 ( 2643 PWs) bands (ev): -48.8330 -48.8330 -48.8255 -48.8255 -24.6778 -24.6740 -24.6249 -24.6210 -22.4155 -22.4122 -22.3295 -22.3256 -21.8874 -21.8851 -21.8546 -21.8517 -6.7174 -6.7142 -6.3428 -6.3384 -5.6994 -5.6978 -5.2387 -5.2360 5.7668 5.7727 6.1639 6.1676 6.4567 6.4613 7.0172 7.0201 7.0868 7.0959 7.7425 7.7473 8.0176 8.0265 8.2212 8.2260 9.2201 9.2234 9.6427 9.6474 9.7044 9.7072 10.9054 10.9057 12.2023 12.2143 12.2776 12.2837 14.4071 14.4240 14.8776 14.9222 15.1068 15.1375 15.3388 15.3857 16.8174 16.8311 k = 0.0000 0.0000 0.4725 ( 2641 PWs) bands (ev): -48.8329 -48.8329 -48.8256 -48.8256 -24.6765 -24.6739 -24.6250 -24.6223 -22.4136 -22.4113 -22.3303 -22.3276 -21.8868 -21.8852 -21.8545 -21.8525 -6.7093 -6.7071 -6.3397 -6.3367 -5.7081 -5.7071 -5.2413 -5.2395 5.7943 5.7984 6.1857 6.1885 6.4772 6.4808 6.9940 6.9960 7.0659 7.0718 7.7258 7.7288 8.0297 8.0365 8.1953 8.1992 9.2172 9.2195 9.6393 9.6428 9.7036 9.7053 10.8997 10.8999 12.2122 12.2208 12.2807 12.2852 14.4391 14.4514 14.9146 14.9503 15.1105 15.1366 15.3146 15.3530 16.8048 16.8144 k = 0.0000 0.0000 0.4877 ( 2639 PWs) bands (ev): -48.8328 -48.8328 -48.8256 -48.8256 -24.6754 -24.6740 -24.6248 -24.6234 -22.4122 -22.4110 -22.3305 -22.3291 -21.8862 -21.8854 -21.8542 -21.8532 -6.7041 -6.7030 -6.3374 -6.3359 -5.7134 -5.7129 -5.2428 -5.2418 5.8121 5.8142 6.1997 6.2013 6.4898 6.4918 6.9796 6.9806 7.0542 7.0571 7.7151 7.7166 8.0394 8.0432 8.1789 8.1813 9.2157 9.2168 9.6373 9.6392 9.7036 9.7044 10.8962 10.8963 12.2193 12.2237 12.2831 12.2855 14.4606 14.4672 14.9461 14.9674 15.1094 15.1252 15.3078 15.3292 16.7982 16.8032 k = 0.0000 0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6746 -24.6746 -24.6243 -24.6243 -22.4113 -22.4113 -22.3301 -22.3301 -21.8857 -21.8857 -21.8538 -21.8538 -6.7020 -6.7020 -6.3362 -6.3362 -5.7150 -5.7150 -5.2429 -5.2429 5.8189 5.8189 6.2051 6.2051 6.4947 6.4947 6.9750 6.9750 7.0513 7.0513 7.7118 7.7118 8.0444 8.0444 8.1740 8.1740 9.2156 9.2156 9.6373 9.6373 9.7039 9.7039 10.8951 10.8951 12.2231 12.2231 12.2847 12.2847 14.4702 14.4702 14.9662 14.9662 15.1133 15.1133 15.3140 15.3140 16.7977 16.7977 k = 0.0000 0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6746 -24.6746 -24.6243 -24.6243 -22.4113 -22.4113 -22.3301 -22.3301 -21.8857 -21.8857 -21.8538 -21.8538 -6.7020 -6.7020 -6.3362 -6.3362 -5.7150 -5.7150 -5.2429 -5.2429 5.8189 5.8189 6.2051 6.2051 6.4947 6.4947 6.9750 6.9750 7.0513 7.0513 7.7118 7.7118 8.0444 8.0444 8.1740 8.1740 9.2156 9.2156 9.6373 9.6373 9.7039 9.7039 10.8951 10.8951 12.2231 12.2231 12.2847 12.2847 14.4702 14.4702 14.9662 14.9662 15.1133 15.1133 15.3140 15.3140 16.7977 16.7977 k = 0.0000 0.0153 0.5029 ( 2637 PWs) bands (ev): -48.8327 -48.8327 -48.8256 -48.8256 -24.6753 -24.6739 -24.6246 -24.6241 -22.4119 -22.4105 -22.3306 -22.3295 -21.8867 -21.8856 -21.8545 -21.8540 -6.7021 -6.7013 -6.3373 -6.3348 -5.7149 -5.7143 -5.2436 -5.2418 5.8180 5.8207 6.2044 6.2063 6.4933 6.4944 6.9716 6.9769 7.0480 7.0547 7.7068 7.7112 8.0382 8.0446 8.1799 8.1828 9.2100 9.2133 9.6357 9.6366 9.7041 9.7052 10.8951 10.8953 12.2250 12.2252 12.2857 12.2872 14.4688 14.4702 14.9579 14.9658 15.1112 15.1194 15.3115 15.3165 16.7951 16.7976 k = 0.0000 0.0306 0.5029 ( 2641 PWs) bands (ev): -48.8325 -48.8325 -48.8254 -48.8254 -24.6762 -24.6734 -24.6251 -24.6241 -22.4124 -22.4096 -22.3310 -22.3289 -21.8886 -21.8865 -21.8562 -21.8552 -6.7017 -6.7000 -6.3383 -6.3333 -5.7139 -5.7128 -5.2439 -5.2402 5.8179 5.8232 6.2043 6.2080 6.4903 6.4925 6.9670 6.9772 7.0450 7.0580 7.6964 7.7048 8.0292 8.0403 8.1986 8.2029 9.1970 9.2034 9.6315 9.6325 9.7066 9.7084 10.8951 10.8956 12.2307 12.2311 12.2901 12.2933 14.4660 14.4687 14.9425 14.9565 15.1132 15.1282 15.3092 15.3194 16.7900 16.7949 k = 0.0000 0.0459 0.5029 ( 2642 PWs) bands (ev): -48.8322 -48.8322 -48.8251 -48.8251 -24.6772 -24.6731 -24.6258 -24.6243 -22.4127 -22.4085 -22.3314 -22.3281 -21.8914 -21.8883 -21.8589 -21.8573 -6.7008 -6.6982 -6.3391 -6.3317 -5.7122 -5.7104 -5.2437 -5.2382 5.8185 5.8265 6.2045 6.2101 6.4857 6.4890 6.9617 6.9757 7.0431 7.0612 7.6813 7.6928 8.0210 8.0350 8.2254 8.2300 9.1776 9.1869 9.6230 9.6240 9.7122 9.7144 10.8953 10.8959 12.2402 12.2409 12.2980 12.3027 14.4617 14.4657 14.9217 14.9398 15.1176 15.1381 15.3069 15.3227 16.7823 16.7896 k = 0.0000 0.0612 0.5029 ( 2642 PWs) bands (ev): -48.8318 -48.8318 -48.8247 -48.8247 -24.6784 -24.6728 -24.6266 -24.6247 -22.4128 -22.4073 -22.3317 -22.3273 -21.8950 -21.8910 -21.8625 -21.8603 -6.6993 -6.6958 -6.3397 -6.3299 -5.7096 -5.7072 -5.2431 -5.2358 5.8199 5.8303 6.2049 6.2123 6.4796 6.4841 6.9558 6.9724 7.0425 7.0647 7.6622 7.6760 8.0154 8.0314 8.2564 8.2609 9.1532 9.1649 9.6087 9.6110 9.7207 9.7235 10.8954 10.8962 12.2534 12.2544 12.3092 12.3156 14.4559 14.4612 14.8968 14.9174 15.1225 15.1481 15.3048 15.3266 16.7722 16.7818 k = 0.0000 0.0765 0.5029 ( 2645 PWs) bands (ev): -48.8312 -48.8312 -48.8241 -48.8241 -24.6796 -24.6728 -24.6277 -24.6253 -22.4129 -22.4059 -22.3319 -22.3264 -21.8996 -21.8946 -21.8670 -21.8642 -6.6972 -6.6929 -6.3402 -6.3280 -5.7061 -5.7031 -5.2420 -5.2329 5.8217 5.8344 6.2048 6.2141 6.4721 6.4780 6.9497 6.9677 7.0438 7.0687 7.6400 7.6553 8.0125 8.0301 8.2892 8.2935 9.1252 9.1390 9.5893 9.5933 9.7314 9.7351 10.8955 10.8965 12.2702 12.2716 12.3238 12.3317 14.4486 14.4549 14.8687 14.8909 15.1263 15.1574 15.3030 15.3312 16.7598 16.7716 k = 0.0000 0.0918 0.5029 ( 2644 PWs) bands (ev): -48.8305 -48.8304 -48.8234 -48.8234 -24.6811 -24.6728 -24.6289 -24.6260 -22.4128 -22.4043 -22.3321 -22.3254 -21.9049 -21.8991 -21.8724 -21.8690 -6.6947 -6.6895 -6.3405 -6.3261 -5.7019 -5.6981 -5.2405 -5.2296 5.8238 5.8386 6.2039 6.2149 6.4638 6.4711 6.9436 6.9622 7.0471 7.0738 7.6155 7.6319 8.0118 8.0308 8.3219 8.3263 9.0951 9.1107 9.5657 9.5715 9.7435 9.7479 10.8954 10.8966 12.2904 12.2924 12.3416 12.3512 14.4396 14.4468 14.8379 14.8613 15.1283 15.1656 15.3018 15.3366 16.7453 16.7592 k = 0.0000 0.1071 0.5029 ( 2650 PWs) bands (ev): -48.8297 -48.8297 -48.8226 -48.8226 -24.6826 -24.6730 -24.6303 -24.6269 -22.4126 -22.4025 -22.3323 -22.3243 -21.9110 -21.9044 -21.8787 -21.8746 -6.6917 -6.6857 -6.3408 -6.3241 -5.6967 -5.6923 -5.2385 -5.2258 5.8260 5.8427 6.2013 6.2138 6.4553 6.4640 6.9377 6.9564 7.0525 7.0804 7.5894 7.6067 8.0122 8.0326 8.3531 8.3577 9.0646 9.0815 9.5389 9.5463 9.7561 9.7612 10.8952 10.8964 12.3139 12.3166 12.3625 12.3737 14.4290 14.4369 14.8048 14.8293 15.1283 15.1722 15.3013 15.3427 16.7290 16.7447 k = 0.0000 0.1223 0.5029 ( 2638 PWs) bands (ev): -48.8287 -48.8287 -48.8215 -48.8215 -24.6842 -24.6732 -24.6318 -24.6279 -22.4122 -22.4006 -22.3324 -22.3231 -21.9178 -21.9105 -21.8858 -21.8810 -6.6882 -6.6813 -6.3409 -6.3221 -5.6907 -5.6855 -5.2361 -5.2215 5.8279 5.8461 6.1961 6.2099 6.4476 6.4577 6.9320 6.9512 7.0601 7.0890 7.5625 7.5806 8.0127 8.0344 8.3816 8.3865 9.0352 9.0532 9.5097 9.5185 9.7687 9.7742 10.8946 10.8959 12.3404 12.3440 12.3864 12.3994 14.4166 14.4249 14.7698 14.7954 15.1263 15.1769 15.3019 15.3494 16.7109 16.7284 k = 0.0000 0.1376 0.5029 ( 2642 PWs) bands (ev): -48.8276 -48.8276 -48.8205 -48.8205 -24.6860 -24.6737 -24.6336 -24.6291 -22.4118 -22.3985 -22.3326 -22.3219 -21.9254 -21.9175 -21.8937 -21.8882 -6.6843 -6.6766 -6.3410 -6.3202 -5.6839 -5.6777 -5.2333 -5.2168 5.8293 5.8487 6.1874 6.2022 6.4417 6.4529 6.9267 6.9472 7.0699 7.0999 7.5351 7.5543 8.0123 8.0352 8.4061 8.4114 9.0086 9.0272 9.4789 9.4889 9.7807 9.7865 10.8936 10.8950 12.3698 12.3745 12.4132 12.4280 14.4024 14.4108 14.7330 14.7599 15.1228 15.1797 15.3036 15.3564 16.6914 16.7106 k = 0.0000 0.1529 0.5029 ( 2645 PWs) bands (ev): -48.8265 -48.8264 -48.8193 -48.8193 -24.6879 -24.6743 -24.6355 -24.6306 -22.4113 -22.3964 -22.3328 -22.3207 -21.9335 -21.9252 -21.9025 -21.8961 -6.6800 -6.6715 -6.3410 -6.3185 -5.6762 -5.6690 -5.2299 -5.2116 5.8297 5.8501 6.1745 6.1897 6.4387 6.4507 6.9219 6.9450 7.0815 7.1130 7.5077 7.5284 8.0100 8.0341 8.4254 8.4314 8.9866 9.0052 9.4473 9.4583 9.7919 9.7979 10.8921 10.8935 12.4018 12.4079 12.4429 12.4596 14.3863 14.3945 14.6948 14.7233 15.1181 15.1805 15.3064 15.3637 16.6707 16.6913 k = 0.0000 0.1682 0.5029 ( 2644 PWs) bands (ev): -48.8251 -48.8251 -48.8181 -48.8181 -24.6900 -24.6751 -24.6376 -24.6321 -22.4108 -22.3941 -22.3331 -22.3194 -21.9423 -21.9335 -21.9119 -21.9046 -6.6754 -6.6660 -6.3411 -6.3169 -5.6675 -5.6594 -5.2261 -5.2060 5.8289 5.8498 6.1570 6.1721 6.4391 6.4516 6.9182 6.9447 7.0947 7.1278 7.4807 7.5033 8.0049 8.0299 8.4384 8.4456 8.9704 8.9885 9.4157 9.4274 9.8021 9.8082 10.8900 10.8914 12.4363 12.4439 12.4753 12.4939 14.3683 14.3759 14.6555 14.6859 15.1126 15.1797 15.3102 15.3711 16.6490 16.6710 k = 0.0000 0.1835 0.5029 ( 2644 PWs) bands (ev): -48.8236 -48.8236 -48.8167 -48.8167 -24.6922 -24.6760 -24.6399 -24.6339 -22.4103 -22.3916 -22.3334 -22.3180 -21.9515 -21.9426 -21.9220 -21.9138 -6.6705 -6.6603 -6.3413 -6.3154 -5.6580 -5.6487 -5.2218 -5.1998 5.8264 5.8475 6.1349 6.1496 6.4430 6.4557 6.9160 6.9468 7.1085 7.1435 7.4547 7.4801 7.9964 8.0221 8.4447 8.4535 8.9610 8.9780 9.3847 9.3971 9.8110 9.8173 10.8873 10.8887 12.4729 12.4823 12.5106 12.5311 14.3483 14.3551 14.6153 14.6478 15.1067 15.1774 15.3148 15.3783 16.6266 16.6499 k = 0.0000 0.1988 0.5029 ( 2644 PWs) bands (ev): -48.8221 -48.8221 -48.8152 -48.8152 -24.6945 -24.6771 -24.6423 -24.6358 -22.4098 -22.3891 -22.3339 -22.3167 -21.9612 -21.9523 -21.9327 -21.9234 -6.6652 -6.6543 -6.3415 -6.3142 -5.6476 -5.6370 -5.2171 -5.1932 5.8222 5.8431 6.1087 6.1229 6.4499 6.4627 6.9158 6.9515 7.1215 7.1581 7.4308 7.4601 7.9838 8.0099 8.4447 8.4555 8.9584 8.9740 9.3551 9.3678 9.8188 9.8252 10.8840 10.8853 12.5115 12.5226 12.5486 12.5709 14.3264 14.3321 14.5746 14.6094 15.1006 15.1741 15.3199 15.3853 16.6038 16.6281 k = 0.0000 0.2141 0.5029 ( 2641 PWs) bands (ev): -48.8204 -48.8204 -48.8136 -48.8136 -24.6969 -24.6783 -24.6449 -24.6379 -22.4093 -22.3865 -22.3345 -22.3153 -21.9712 -21.9625 -21.9440 -21.9336 -6.6598 -6.6480 -6.3419 -6.3133 -5.6362 -5.6244 -5.2118 -5.1861 5.8158 5.8362 6.0791 6.0927 6.4592 6.4721 6.9180 6.9590 7.1316 7.1688 7.4109 7.4456 7.9668 7.9930 8.4395 8.4525 8.9620 8.9760 9.3272 9.3402 9.8253 9.8318 10.8799 10.8811 12.5518 12.5645 12.5896 12.6133 14.3025 14.3071 14.5337 14.5709 15.0946 15.1702 15.3253 15.3920 16.5808 16.6061 k = 0.0000 0.2294 0.5029 ( 2639 PWs) bands (ev): -48.8186 -48.8186 -48.8119 -48.8119 -24.6995 -24.6797 -24.6477 -24.6402 -22.4088 -22.3838 -22.3353 -22.3140 -21.9815 -21.9732 -21.9557 -21.9441 -6.6542 -6.6416 -6.3425 -6.3127 -5.6240 -5.6107 -5.2061 -5.1785 5.8072 5.8269 6.0466 6.0598 6.4704 6.4834 6.9229 6.9694 7.1355 7.1720 7.3980 7.4395 7.9453 7.9713 8.4308 8.4458 8.9705 8.9828 9.3016 9.3148 9.8305 9.8371 10.8750 10.8761 12.5937 12.6075 12.6335 12.6582 14.2768 14.2803 14.4932 14.5327 15.0889 15.1660 15.3307 15.3984 16.5578 16.5840 k = 0.0000 0.2447 0.5029 ( 2635 PWs) bands (ev): -48.8167 -48.8167 -48.8101 -48.8101 -24.7022 -24.6812 -24.6507 -24.6426 -22.4085 -22.3811 -22.3363 -22.3128 -21.9919 -21.9843 -21.9680 -21.9549 -6.6484 -6.6351 -6.3432 -6.3125 -5.6109 -5.5961 -5.1999 -5.1704 5.7963 5.8151 6.0121 6.0249 6.4828 6.4958 6.9305 6.9825 7.1302 7.1642 7.3951 7.4444 7.9193 7.9448 8.4202 8.4369 8.9822 8.9932 9.2786 9.2920 9.8345 9.8411 10.8694 10.8703 12.6367 12.6514 12.6801 12.7055 14.2494 14.2519 14.4533 14.4949 15.0836 15.1616 15.3361 15.4043 16.5352 16.5620 k = 0.0000 0.2600 0.5029 ( 2637 PWs) bands (ev): -48.8149 -48.8149 -48.8082 -48.8082 -24.7050 -24.6829 -24.6539 -24.6452 -22.4083 -22.3784 -22.3376 -22.3116 -22.0025 -21.9958 -21.9806 -21.9660 -6.6425 -6.6285 -6.3442 -6.3126 -5.5968 -5.5805 -5.1932 -5.1618 5.7832 5.8009 5.9760 5.9885 6.4958 6.5088 6.9407 6.9978 7.1146 7.1451 7.4037 7.4606 7.8894 7.9141 8.4093 8.4272 8.9959 9.0056 9.2583 9.2720 9.8374 9.8440 10.8628 10.8637 12.6807 12.6960 12.7293 12.7550 14.2207 14.2224 14.4147 14.4579 15.0789 15.1573 15.3413 15.4097 16.5130 16.5405 k = 0.0000 0.2753 0.5029 ( 2644 PWs) bands (ev): -48.8129 -48.8129 -48.8064 -48.8064 -24.7080 -24.6848 -24.6572 -24.6481 -22.4082 -22.3758 -22.3392 -22.3106 -22.0132 -22.0076 -21.9935 -21.9773 -6.6366 -6.6218 -6.3455 -6.3131 -5.5820 -5.5639 -5.1860 -5.1528 5.7679 5.7844 5.9388 5.9512 6.5089 6.5218 6.9526 7.0125 7.0917 7.1174 7.4220 7.4862 7.8562 7.8800 8.3991 8.4180 9.0102 9.0189 9.2409 9.2549 9.8390 9.8457 10.8554 10.8561 12.7254 12.7410 12.7805 12.8063 14.1908 14.1924 14.3778 14.4220 15.0749 15.1532 15.3463 15.4147 16.4915 16.5196 k = 0.0000 0.2906 0.5029 ( 2642 PWs) bands (ev): -48.8108 -48.8108 -48.8044 -48.8044 -24.7111 -24.6868 -24.6607 -24.6510 -22.4084 -22.3732 -22.3411 -22.3097 -22.0237 -22.0195 -22.0065 -21.9886 -6.6307 -6.6152 -6.3470 -6.3139 -5.5663 -5.5465 -5.1783 -5.1433 5.7506 5.7659 5.9011 5.9134 6.5214 6.5340 6.9634 7.0139 7.0720 7.0901 7.4473 7.5183 7.8208 7.8436 8.3904 8.4099 9.0242 9.0320 9.2263 9.2410 9.8396 9.8464 10.8471 10.8477 12.7702 12.7862 12.8331 12.8592 14.1602 14.1627 14.3431 14.3876 15.0716 15.1495 15.3508 15.4191 16.4709 16.4995 k = 0.0000 0.3059 0.5029 ( 2641 PWs) bands (ev): -48.8087 -48.8087 -48.8023 -48.8023 -24.7143 -24.6890 -24.6644 -24.6541 -22.4089 -22.3708 -22.3432 -22.3090 -22.0343 -22.0313 -22.0196 -21.9999 -6.6248 -6.6086 -6.3488 -6.3152 -5.5497 -5.5281 -5.1701 -5.1333 5.7316 5.7457 5.8630 5.8754 6.5327 6.5450 6.9632 6.9859 7.0545 7.0938 7.4766 7.5542 7.7848 7.8065 8.3836 8.4036 9.0368 9.0440 9.2147 9.2301 9.8392 9.8460 10.8379 10.8384 12.8147 12.8311 12.8868 12.9132 14.1295 14.1340 14.3112 14.3552 15.0689 15.1463 15.3550 15.4229 16.4515 16.4804 k = 0.0000 0.3212 0.5029 ( 2641 PWs) bands (ev): -48.8065 -48.8065 -48.8002 -48.8002 -24.7177 -24.6914 -24.6682 -24.6574 -22.4096 -22.3688 -22.3456 -22.3086 -22.0454 -22.0425 -22.0327 -22.0110 -6.6190 -6.6020 -6.3510 -6.3169 -5.5324 -5.5089 -5.1615 -5.1229 5.7112 5.7241 5.8250 5.8375 6.5422 6.5540 6.9350 6.9437 7.0543 7.1181 7.5069 7.5905 7.7508 7.7714 8.3790 8.3993 9.0475 9.0543 9.2059 9.2221 9.8377 9.8447 10.8278 10.8281 12.8584 12.8752 12.9409 12.9678 14.0997 14.1072 14.2828 14.3253 15.0671 15.1435 15.3587 15.4263 16.4332 16.4625 k = 0.0000 0.3365 0.5029 ( 2642 PWs) bands (ev): -48.8042 -48.8042 -48.7981 -48.7981 -24.7211 -24.6940 -24.6721 -24.6608 -22.4107 -22.3674 -22.3481 -22.3085 -22.0572 -22.0527 -22.0456 -22.0219 -6.6133 -6.5957 -6.3534 -6.3190 -5.5144 -5.4890 -5.1524 -5.1120 5.6895 5.7014 5.7872 5.8000 6.5491 6.5603 6.8859 6.8953 7.0719 7.1486 7.5340 7.6197 7.7239 7.7448 8.3768 8.3972 9.0557 9.0626 9.1999 9.2169 9.8354 9.8424 10.8166 10.8171 12.9003 12.9175 12.9945 13.0221 14.0718 14.0835 14.2585 14.2988 15.0660 15.1414 15.3619 15.4290 16.4164 16.4459 k = 0.0000 0.3517 0.5029 ( 2642 PWs) bands (ev): -48.8019 -48.8019 -48.7959 -48.7959 -24.7247 -24.6967 -24.6762 -24.6644 -22.4122 -22.3671 -22.3502 -22.3087 -22.0693 -22.0624 -22.0579 -22.0325 -6.6078 -6.5894 -6.3561 -6.3214 -5.4956 -5.4683 -5.1429 -5.1007 5.6670 5.6778 5.7498 5.7630 6.5524 6.5630 6.8304 6.8406 7.0973 7.1823 7.5508 7.6254 7.7120 7.7429 8.3770 8.3974 9.0613 9.0686 9.1966 9.2140 9.8322 9.8394 10.8045 10.8051 12.9397 12.9573 13.0467 13.0751 14.0474 14.0642 14.2391 14.2764 15.0657 15.1399 15.3646 15.4311 16.4011 16.4307 k = 0.0000 0.3670 0.5029 ( 2646 PWs) bands (ev): -48.7997 -48.7997 -48.7936 -48.7936 -24.7284 -24.6996 -24.6804 -24.6681 -22.4141 -22.3685 -22.3514 -22.3094 -22.0814 -22.0727 -22.0685 -22.0426 -6.6024 -6.5834 -6.3592 -6.3243 -5.4762 -5.4470 -5.1330 -5.0891 5.6438 5.6537 5.7131 5.7267 6.5514 6.5613 6.7721 6.7819 7.1266 7.2183 7.5505 7.6065 7.7185 7.7711 8.3794 8.3999 9.0644 9.0724 9.1954 9.2131 9.8284 9.8357 10.7916 10.7922 12.9753 12.9933 13.0964 13.1255 14.0280 14.0507 14.2255 14.2592 15.0662 15.1392 15.3667 15.4326 16.3874 16.4171 k = 0.0000 0.3823 0.5029 ( 2642 PWs) bands (ev): -48.7972 -48.7972 -48.7913 -48.7913 -24.7321 -24.7027 -24.6847 -24.6720 -22.4165 -22.3717 -22.3516 -22.3106 -22.0935 -22.0837 -22.0771 -22.0523 -6.5972 -6.5775 -6.3625 -6.3275 -5.4562 -5.4250 -5.1227 -5.0771 5.6203 5.6293 5.6772 5.6912 6.5447 6.5538 6.7123 6.7212 7.1582 7.2560 7.5365 7.5799 7.7419 7.8115 8.3841 8.4045 9.0652 9.0743 9.1960 9.2134 9.8239 9.8314 10.7777 10.7785 13.0062 13.0242 13.1420 13.1714 14.0157 14.0449 14.2187 14.2483 15.0677 15.1393 15.3683 15.4335 16.3754 16.4052 k = 0.0000 0.3976 0.5029 ( 2646 PWs) bands (ev): -48.7948 -48.7948 -48.7891 -48.7891 -24.7360 -24.7060 -24.6891 -24.6760 -22.4195 -22.3765 -22.3513 -22.3123 -22.1053 -22.0946 -22.0846 -22.0613 -6.5922 -6.5720 -6.3662 -6.3311 -5.4357 -5.4025 -5.1121 -5.0647 5.5966 5.6048 5.6422 5.6567 6.5306 6.5390 6.6527 6.6607 7.1914 7.2949 7.5179 7.5540 7.7745 7.8555 8.3909 8.4111 9.0644 9.0748 9.1975 9.2145 9.8188 9.8266 10.7629 10.7639 13.0312 13.0490 13.1820 13.2110 14.0128 14.0484 14.2194 14.2449 15.0701 15.1402 15.3693 15.4338 16.3652 16.3949 k = 0.0000 0.4129 0.5029 ( 2652 PWs) bands (ev): -48.7925 -48.7925 -48.7868 -48.7868 -24.7400 -24.7095 -24.6936 -24.6801 -22.4230 -22.3824 -22.3509 -22.3147 -22.1169 -22.1047 -22.0912 -22.0698 -6.5875 -6.5666 -6.3701 -6.3350 -5.4147 -5.3796 -5.1011 -5.0521 5.5730 5.5805 5.6082 5.6234 6.5054 6.5149 6.5950 6.6043 7.2255 7.3346 7.5005 7.5319 7.8109 7.9001 8.3997 8.4198 9.0625 9.0742 9.1995 9.2158 9.8134 9.8214 10.7473 10.7484 13.0493 13.0666 13.2148 13.2421 14.0217 14.0627 14.2285 14.2502 15.0736 15.1422 15.3697 15.4335 16.3569 16.3863 k = 0.0000 0.4282 0.5029 ( 2657 PWs) bands (ev): -48.7901 -48.7901 -48.7846 -48.7846 -24.7440 -24.7132 -24.6981 -24.6843 -22.4271 -22.3891 -22.3507 -22.3178 -22.1279 -22.1140 -22.0972 -22.0774 -6.5830 -6.5616 -6.3743 -6.3392 -5.3933 -5.3562 -5.0898 -5.0393 5.5496 5.5564 5.5754 5.5913 6.4650 6.4780 6.5431 6.5567 7.2599 7.3745 7.4872 7.5150 7.8484 7.9439 8.4105 8.4303 9.0601 9.0730 9.2014 9.2169 9.8077 9.8161 10.7309 10.7321 13.0598 13.0764 13.2393 13.2632 14.0438 14.0888 14.2464 14.2648 15.0783 15.1452 15.3696 15.4327 16.3503 16.3795 k = 0.0000 0.4435 0.5029 ( 2657 PWs) bands (ev): -48.7877 -48.7877 -48.7823 -48.7822 -24.7481 -24.7171 -24.7026 -24.6886 -22.4317 -22.3965 -22.3509 -22.3215 -22.1382 -22.1225 -22.1025 -22.0843 -6.5788 -6.5568 -6.3787 -6.3437 -5.3715 -5.3325 -5.0783 -5.0262 5.5265 5.5327 5.5439 5.5605 6.4114 6.4262 6.4996 6.5158 7.2942 7.4144 7.4796 7.5039 7.8853 7.9861 8.4230 8.4427 9.0575 9.0715 9.2028 9.2174 9.8019 9.8106 10.7137 10.7151 13.0626 13.0784 13.2546 13.2737 14.0800 14.1270 14.2731 14.2890 15.0844 15.1495 15.3690 15.4314 16.3457 16.3745 k = 0.0000 0.4588 0.5029 ( 2656 PWs) bands (ev): -48.7852 -48.7852 -48.7799 -48.7799 -24.7522 -24.7211 -24.7070 -24.6930 -22.4369 -22.4045 -22.3517 -22.3260 -22.1478 -22.1299 -22.1071 -22.0904 -6.5748 -6.5523 -6.3834 -6.3484 -5.3495 -5.3086 -5.0666 -5.0130 5.5033 5.5094 5.5142 5.5314 6.3511 6.3656 6.4595 6.4760 7.3277 7.4531 7.4784 7.4990 7.9208 8.0258 8.4372 8.4570 9.0552 9.0701 9.2036 9.2172 9.7961 9.8053 10.6957 10.6973 13.0578 13.0729 13.2608 13.2741 14.1297 14.1768 14.3084 14.3224 15.0921 15.1552 15.3681 15.4297 16.3429 16.3712 k = 0.0000 0.4741 0.5029 ( 2658 PWs) bands (ev): -48.7828 -48.7828 -48.7776 -48.7776 -24.7564 -24.7254 -24.7115 -24.6975 -22.4426 -22.4129 -22.3532 -22.3313 -22.1564 -22.1365 -22.1111 -22.0956 -6.5711 -6.5481 -6.3883 -6.3534 -5.3272 -5.2845 -5.0547 -4.9997 5.4789 5.4864 5.4876 5.5041 6.2880 6.3018 6.4180 6.4343 7.3600 7.4788 7.4924 7.5029 7.9542 8.0625 8.4529 8.4731 9.0535 9.0689 9.2036 9.2162 9.7906 9.8003 10.6771 10.6789 13.0460 13.0609 13.2584 13.2660 14.1913 14.2369 14.3514 14.3641 15.1016 15.1624 15.3670 15.4278 16.3418 16.3696 k = 0.0000 0.4894 0.5029 ( 2650 PWs) bands (ev): -48.7802 -48.7802 -48.7753 -48.7753 -24.7605 -24.7299 -24.7158 -24.7020 -22.4489 -22.4215 -22.3555 -22.3372 -22.1640 -22.1420 -22.1145 -22.1001 -6.5677 -6.5442 -6.3933 -6.3585 -5.3048 -5.2603 -5.0427 -4.9863 5.4526 5.4628 5.4653 5.4791 6.2242 6.2373 6.3737 6.3898 7.3906 7.4892 7.5045 7.5341 7.9851 8.0958 8.4700 8.4910 9.0527 9.0684 9.2027 9.2142 9.7856 9.7958 10.6579 10.6598 13.0283 13.0431 13.2476 13.2519 14.2631 14.3058 14.4010 14.4125 15.1135 15.1715 15.3659 15.4258 16.3426 16.3697 k = 0.0000 0.5047 0.5029 ( 2646 PWs) bands (ev): -48.7778 -48.7778 -48.7729 -48.7729 -24.7646 -24.7344 -24.7201 -24.7065 -22.4555 -22.4305 -22.3585 -22.3436 -22.1705 -22.1467 -22.1175 -22.1037 -6.5645 -6.5405 -6.3985 -6.3639 -5.2824 -5.2361 -5.0307 -4.9730 5.4264 5.4392 5.4450 5.4565 6.1605 6.1730 6.3267 6.3426 7.4192 7.5021 7.5173 7.5703 8.0130 8.1252 8.4883 8.5106 9.0532 9.0687 9.2006 9.2112 9.7812 9.7919 10.6380 10.6402 13.0055 13.0207 13.2280 13.2349 14.3431 14.3817 14.4558 14.4663 15.1281 15.1825 15.3651 15.4240 16.3450 16.3713 k = 0.0000 0.5200 0.5029 ( 2644 PWs) bands (ev): -48.7755 -48.7755 -48.7707 -48.7706 -24.7688 -24.7392 -24.7243 -24.7111 -22.4626 -22.4396 -22.3624 -22.3507 -22.1759 -22.1506 -22.1199 -22.1067 -6.5616 -6.5372 -6.4039 -6.3694 -5.2599 -5.2119 -5.0187 -4.9597 5.4011 5.4158 5.4259 5.4360 6.0977 6.1097 6.2775 6.2933 7.4459 7.5175 7.5351 7.6054 8.0379 8.1507 8.5076 8.5316 9.0550 9.0701 9.1975 9.2072 9.7778 9.7890 10.6177 10.6202 12.9789 12.9944 13.2033 13.2143 14.4295 14.4623 14.5143 14.5242 15.1461 15.1956 15.3653 15.4228 16.3491 16.3745 k = 0.0000 0.5353 0.5029 ( 2649 PWs) bands (ev): -48.7732 -48.7732 -48.7686 -48.7685 -24.7730 -24.7441 -24.7285 -24.7157 -22.4701 -22.4488 -22.3671 -22.3582 -22.1802 -22.1538 -22.1220 -22.1092 -6.5590 -6.5341 -6.4094 -6.3750 -5.2376 -5.1879 -5.0068 -4.9466 5.3769 5.3931 5.4079 5.4172 6.0362 6.0478 6.2266 6.2425 7.4711 7.5349 7.5566 7.6388 8.0597 8.1724 8.5277 8.5537 9.0583 9.0727 9.1931 9.2022 9.7754 9.7872 10.5969 10.5997 12.9493 12.9653 13.1754 13.1901 14.5203 14.5433 14.5748 14.5870 15.1680 15.2108 15.3671 15.4229 16.3546 16.3791 k = 0.0000 0.5506 0.5029 ( 2648 PWs) bands (ev): -48.7709 -48.7709 -48.7664 -48.7664 -24.7770 -24.7490 -24.7325 -24.7202 -22.4777 -22.4580 -22.3725 -22.3659 -22.1834 -22.1563 -22.1235 -22.1110 -6.5565 -6.5312 -6.4149 -6.3808 -5.2153 -5.1641 -4.9950 -4.9337 5.3540 5.3713 5.3908 5.3997 5.9762 5.9876 6.1749 6.1908 7.4955 7.5541 7.5800 7.6703 8.0786 8.1904 8.5483 8.5763 9.0631 9.0769 9.1873 9.1962 9.7744 9.7867 10.5757 10.5788 12.9177 12.9340 13.1455 13.1631 14.6094 14.6188 14.6362 14.6613 15.1945 15.2278 15.3720 15.4251 16.3616 16.3851 k = 0.0000 0.5659 0.5029 ( 2650 PWs) bands (ev): -48.7687 -48.7687 -48.7643 -48.7643 -24.7811 -24.7540 -24.7365 -24.7248 -22.4855 -22.4671 -22.3784 -22.3739 -22.1857 -22.1582 -22.1247 -22.1124 -6.5543 -6.5286 -6.4205 -6.3865 -5.1934 -5.1406 -4.9835 -4.9210 5.3322 5.3506 5.3746 5.3835 5.9182 5.9294 6.1227 6.1388 7.5192 7.5748 7.6041 7.6994 8.0950 8.2051 8.5690 8.5990 9.0693 9.0828 9.1801 9.1894 9.7749 9.7876 10.5543 10.5577 12.8847 12.9012 13.1141 13.1341 14.6742 14.6851 14.7182 14.7469 15.2259 15.2458 15.3818 15.4310 16.3699 16.3923 k = 0.0000 0.5811 0.5029 ( 2648 PWs) bands (ev): -48.7665 -48.7665 -48.7623 -48.7623 -24.7850 -24.7590 -24.7404 -24.7293 -22.4933 -22.4761 -22.3848 -22.3820 -22.1871 -22.1597 -22.1255 -22.1134 -6.5522 -6.5262 -6.4262 -6.3924 -5.1717 -5.1175 -4.9721 -4.9087 5.3117 5.3309 5.3593 5.3683 5.8623 5.8736 6.0706 6.0869 7.5424 7.5965 7.6278 7.7261 8.1094 8.2172 8.5897 8.6212 9.0767 9.0906 9.1716 9.1817 9.7770 9.7901 10.5326 10.5364 12.8509 12.8676 13.0820 13.1037 14.7278 14.7365 14.8142 14.8357 15.2612 15.2638 15.3989 15.4427 16.3795 16.4009 k = 0.0000 0.5964 0.5029 ( 2652 PWs) bands (ev): -48.7645 -48.7644 -48.7604 -48.7604 -24.7889 -24.7640 -24.7443 -24.7337 -22.5012 -22.4850 -22.3916 -22.3900 -22.1878 -22.1607 -22.1259 -22.1141 -6.5504 -6.5240 -6.4318 -6.3982 -5.1503 -5.0948 -4.9612 -4.8969 5.2924 5.3124 5.3448 5.3542 5.8089 5.8203 6.0192 6.0358 7.5649 7.6186 7.6508 7.7501 8.1223 8.2271 8.6099 8.6425 9.0850 9.1004 9.1617 9.1732 9.7809 9.7943 10.5108 10.5150 12.8169 12.8335 13.0494 13.0724 14.7747 14.7817 14.9091 14.9227 15.2815 15.2999 15.4254 15.4635 16.3901 16.4107 k = 0.0000 0.6117 0.5029 ( 2650 PWs) bands (ev): -48.7624 -48.7624 -48.7585 -48.7585 -24.7926 -24.7689 -24.7479 -24.7380 -22.5089 -22.4936 -22.3986 -22.3979 -22.1879 -22.1615 -22.1261 -22.1145 -6.5487 -6.5220 -6.4374 -6.4040 -5.1294 -5.0726 -4.9506 -4.8855 5.2742 5.2950 5.3310 5.3408 5.7582 5.7698 5.9688 5.9857 7.5865 7.6405 7.6727 7.7714 8.1344 8.2356 8.6294 8.6624 9.0940 9.1120 9.1509 9.1640 9.7866 9.8001 10.4889 10.4936 12.7829 12.7994 13.0169 13.0407 14.8147 14.8215 14.9971 15.0039 15.3027 15.3398 15.4627 15.4954 16.4016 16.4218 k = 0.0000 0.6270 0.5029 ( 2652 PWs) bands (ev): -48.7605 -48.7605 -48.7567 -48.7567 -24.7962 -24.7737 -24.7515 -24.7422 -22.5164 -22.5020 -22.4061 -22.4052 -22.1875 -22.1620 -22.1260 -22.1148 -6.5471 -6.5201 -6.4430 -6.4098 -5.1091 -5.0511 -4.9404 -4.8746 5.2572 5.2787 5.3177 5.3282 5.7105 5.7225 5.9198 5.9370 7.6069 7.6615 7.6935 7.7898 8.1464 8.2432 8.6476 8.6805 9.1035 9.1249 9.1393 9.1543 9.7942 9.8076 10.4671 10.4722 12.7495 12.7658 12.9847 13.0090 14.8480 14.8564 15.0699 15.0748 15.3344 15.3831 15.5104 15.5382 16.4140 16.4343 k = 0.0000 0.6423 0.5029 ( 2652 PWs) bands (ev): -48.7586 -48.7586 -48.7550 -48.7550 -24.7996 -24.7785 -24.7550 -24.7463 -22.5237 -22.5101 -22.4136 -22.4122 -22.1866 -22.1622 -22.1257 -22.1149 -6.5456 -6.5183 -6.4485 -6.4155 -5.0893 -5.0302 -4.9308 -4.8644 5.2413 5.2635 5.3047 5.3161 5.6660 5.6786 5.8724 5.8900 7.6258 7.6809 7.7133 7.8053 8.1591 8.2506 8.6644 8.6965 9.1126 9.1279 9.1380 9.1453 9.8034 9.8167 10.4454 10.4508 12.7168 12.7328 12.9531 12.9776 14.8757 14.8866 15.1230 15.1269 15.3851 15.4346 15.5657 15.5900 16.4269 16.4483 k = 0.0000 0.6576 0.5029 ( 2646 PWs) bands (ev): -48.7568 -48.7568 -48.7533 -48.7533 -24.8028 -24.7831 -24.7582 -24.7503 -22.5306 -22.5179 -22.4208 -22.4190 -22.1854 -22.1624 -22.1251 -22.1148 -6.5441 -6.5167 -6.4538 -6.4212 -5.0701 -5.0102 -4.9216 -4.8548 5.2266 5.2493 5.2921 5.3044 5.6250 5.6383 5.8270 5.8450 7.6431 7.6980 7.7320 7.8179 8.1730 8.2585 8.6793 8.7099 9.1117 9.1258 9.1348 9.1540 9.8143 9.8273 10.4239 10.4297 12.6852 12.7009 12.9223 12.9468 14.8990 14.9124 15.1560 15.1583 15.4556 15.4968 15.6244 15.6487 16.4403 16.4640 k = 0.0000 0.6729 0.5029 ( 2644 PWs) bands (ev): -48.7551 -48.7551 -48.7518 -48.7518 -24.8058 -24.7875 -24.7613 -24.7540 -22.5372 -22.5252 -22.4276 -22.4256 -22.1840 -22.1624 -22.1245 -22.1147 -6.5428 -6.5152 -6.4591 -6.4267 -5.0517 -4.9910 -4.9131 -4.8460 5.2129 5.2362 5.2794 5.2929 5.5879 5.6020 5.7837 5.8021 7.6586 7.7126 7.7496 7.8279 8.1887 8.2675 8.6918 8.7204 9.1006 9.1225 9.1384 9.1683 9.8267 9.8392 10.4027 10.4088 12.6550 12.6703 12.8926 12.9169 14.9189 14.9344 15.1703 15.1784 15.5382 15.5672 15.6834 15.7116 16.4541 16.4814 k = 0.0000 0.6882 0.5029 ( 2646 PWs) bands (ev): -48.7536 -48.7536 -48.7504 -48.7503 -24.8087 -24.7918 -24.7642 -24.7576 -22.5434 -22.5323 -22.4341 -22.4320 -22.1824 -22.1625 -22.1237 -22.1146 -6.5414 -6.5138 -6.4641 -6.4321 -5.0340 -4.9728 -4.9051 -4.8379 5.2003 5.2241 5.2666 5.2814 5.5547 5.5698 5.7428 5.7615 7.6722 7.7244 7.7656 7.8355 8.2064 8.2781 8.7014 8.7275 9.0894 9.1141 9.1487 9.1824 9.8404 9.8523 10.3819 10.3882 12.6264 12.6413 12.8641 12.8880 14.9360 14.9531 15.1760 15.1889 15.6251 15.6414 15.7411 15.7760 16.4685 16.5005 k = 0.0000 0.7035 0.5029 ( 2648 PWs) bands (ev): -48.7521 -48.7521 -48.7491 -48.7491 -24.8113 -24.7958 -24.7670 -24.7610 -22.5491 -22.5388 -22.4402 -22.4380 -22.1808 -22.1624 -22.1228 -22.1144 -6.5401 -6.5124 -6.4689 -6.4374 -5.0171 -4.9558 -4.8977 -4.8308 5.1888 5.2130 5.2536 5.2697 5.5259 5.5419 5.7043 5.7233 7.6840 7.7335 7.7799 7.8410 8.2264 8.2908 8.7077 8.7308 9.0794 9.1065 9.1593 9.1957 9.8551 9.8664 10.3615 10.3681 12.5996 12.6139 12.8371 12.8604 14.9509 14.9690 15.1773 15.1934 15.7111 15.7155 15.7967 15.8391 16.4836 16.5211 k = 0.0000 0.7188 0.5029 ( 2649 PWs) bands (ev): -48.7508 -48.7508 -48.7479 -48.7478 -24.8136 -24.7997 -24.7695 -24.7642 -22.5544 -22.5449 -22.4457 -22.4436 -22.1790 -22.1625 -22.1219 -22.1143 -6.5387 -6.5112 -6.4735 -6.4425 -5.0012 -4.9401 -4.8907 -4.8245 5.1784 5.2029 5.2404 5.2577 5.5015 5.5184 5.6685 5.6877 7.6941 7.7400 7.7921 7.8447 8.2487 8.3057 8.7102 8.7299 9.0712 9.1005 9.1697 9.2079 9.8707 9.8812 10.3418 10.3483 12.5748 12.5886 12.8117 12.8342 14.9641 14.9825 15.1764 15.1943 15.7852 15.7946 15.8496 15.8990 16.4995 16.5430 k = 0.0000 0.7341 0.5029 ( 2647 PWs) bands (ev): -48.7496 -48.7496 -48.7467 -48.7467 -24.8157 -24.8033 -24.7718 -24.7672 -22.5591 -22.5505 -22.4508 -22.4487 -22.1772 -22.1625 -22.1210 -22.1142 -6.5373 -6.5101 -6.4776 -6.4474 -4.9861 -4.9260 -4.8839 -4.8193 5.1692 5.1939 5.2269 5.2454 5.4816 5.4992 5.6353 5.6547 7.7027 7.7443 7.8021 7.8473 8.2731 8.3232 8.7086 8.7247 9.0653 9.0961 9.1798 9.2188 9.8869 9.8966 10.3227 10.3292 12.5521 12.5653 12.7882 12.8098 14.9757 14.9938 15.1746 15.1929 15.8505 15.8703 15.8999 15.9545 16.5163 16.5656 k = 0.0000 0.7494 0.5029 ( 2651 PWs) bands (ev): -48.7485 -48.7485 -48.7458 -48.7458 -24.8175 -24.8066 -24.7738 -24.7699 -22.5634 -22.5557 -22.4553 -22.4534 -22.1754 -22.1626 -22.1200 -22.1141 -6.5358 -6.5093 -6.4813 -6.4521 -4.9721 -4.9141 -4.8770 -4.8150 5.1611 5.1859 5.2134 5.2329 5.4660 5.4841 5.6049 5.6244 7.7099 7.7466 7.8099 7.8489 8.2993 8.3430 8.7027 8.7153 9.0617 9.0933 9.1893 9.2281 9.9033 9.9122 10.3044 10.3107 12.5318 12.5444 12.7665 12.7872 14.9859 15.0030 15.1725 15.1904 15.9088 15.9320 15.9528 16.0048 16.5342 16.5880 k = 0.0000 0.7647 0.5029 ( 2651 PWs) bands (ev): -48.7476 -48.7476 -48.7449 -48.7449 -24.8190 -24.8097 -24.7756 -24.7723 -22.5670 -22.5603 -22.4593 -22.4575 -22.1736 -22.1628 -22.1191 -22.1141 -6.5343 -6.5089 -6.4843 -6.4566 -4.9590 -4.9047 -4.8697 -4.8117 5.1542 5.1791 5.2003 5.2205 5.4545 5.4728 5.5773 5.5967 7.7159 7.7472 7.8156 7.8499 8.3272 8.3650 8.6926 8.7019 9.0604 9.0919 9.1981 9.2356 9.9198 9.9278 10.2871 10.2929 12.5140 12.5260 12.7470 12.7665 14.9948 15.0102 15.1709 15.1873 15.9590 15.9761 16.0104 16.0493 16.5532 16.6093 k = 0.0000 0.7800 0.5029 ( 2647 PWs) bands (ev): -48.7467 -48.7467 -48.7441 -48.7441 -24.8201 -24.8125 -24.7771 -24.7745 -22.5701 -22.5643 -22.4628 -22.4612 -22.1719 -22.1631 -22.1181 -22.1141 -6.5326 -6.5091 -6.4863 -6.4608 -4.9471 -4.8982 -4.8616 -4.8096 5.1487 5.1732 5.1879 5.2085 5.4468 5.4650 5.5527 5.5717 7.7208 7.7465 7.8196 7.8505 8.3562 8.3889 8.6785 8.6851 9.0612 9.0915 9.2063 9.2413 9.9359 9.9431 10.2709 10.2762 12.4988 12.5101 12.7297 12.7481 15.0023 15.0152 15.1701 15.1842 15.9999 16.0126 16.0620 16.0883 16.5729 16.6281 k = 0.0000 0.7952 0.5029 ( 2648 PWs) bands (ev): -48.7461 -48.7461 -48.7434 -48.7434 -24.8210 -24.8149 -24.7783 -24.7763 -22.5726 -22.5679 -22.4656 -22.4643 -22.1702 -22.1635 -22.1173 -22.1141 -6.5309 -6.5100 -6.4874 -6.4649 -4.9362 -4.8944 -4.8531 -4.8085 5.1445 5.1680 5.1771 5.1973 5.4424 5.4602 5.5310 5.5494 7.7248 7.7451 7.8221 7.8510 8.3862 8.4142 8.6609 8.6656 9.0634 9.0914 9.2138 9.2451 9.9512 9.9576 10.2562 10.2607 12.4863 12.4969 12.7148 12.7318 15.0084 15.0182 15.1704 15.1814 16.0313 16.0441 16.1038 16.1221 16.5929 16.6433 k = 0.0000 0.8105 0.5029 ( 2648 PWs) bands (ev): -48.7455 -48.7455 -48.7429 -48.7429 -24.8216 -24.8171 -24.7793 -24.7779 -22.5746 -22.5708 -22.4679 -22.4668 -22.1687 -22.1640 -22.1165 -22.1142 -6.5290 -6.5116 -6.4873 -6.4687 -4.9265 -4.8927 -4.8447 -4.8086 5.1417 5.1616 5.1700 5.1873 5.4411 5.4576 5.5127 5.5298 7.7274 7.7437 7.8235 7.8513 8.4167 8.4405 8.6402 8.6443 9.0668 9.0913 9.2205 9.2470 9.9653 9.9708 10.2433 10.2469 12.4767 12.4866 12.7023 12.7180 15.0130 15.0190 15.1720 15.1794 16.0550 16.0696 16.1353 16.1510 16.6123 16.6541 k = 0.0000 0.8258 0.5029 ( 2652 PWs) bands (ev): -48.7452 -48.7451 -48.7425 -48.7425 -24.8218 -24.8190 -24.7800 -24.7791 -22.5759 -22.5732 -22.4696 -22.4688 -22.1672 -22.1646 -22.1160 -22.1143 -6.5271 -6.5138 -6.4864 -6.4722 -4.9180 -4.8929 -4.8367 -4.8098 5.1403 5.1537 5.1674 5.1787 5.4423 5.4563 5.4985 5.5130 7.7281 7.7433 7.8239 7.8514 8.4471 8.4668 8.6173 8.6219 9.0706 9.0908 9.2264 9.2470 9.9775 9.9822 10.2327 10.2351 12.4699 12.4791 12.6924 12.7067 15.0159 15.0179 15.1748 15.1784 16.0723 16.0883 16.1577 16.1738 16.6298 16.6598 k = 0.0000 0.8411 0.5029 ( 2650 PWs) bands (ev): -48.7448 -48.7448 -48.7422 -48.7422 -24.8217 -24.8205 -24.7806 -24.7798 -22.5766 -22.5750 -22.4707 -22.4702 -22.1659 -22.1653 -22.1158 -22.1142 -6.5250 -6.5162 -6.4847 -6.4754 -4.9108 -4.8947 -4.8295 -4.8121 5.1404 5.1464 5.1672 5.1719 5.4456 5.4541 5.4903 5.4992 7.7267 7.7446 7.8237 7.8515 8.4765 8.4916 8.5944 8.5991 9.0745 9.0895 9.2314 9.2453 9.9873 9.9910 10.2248 10.2261 12.4660 12.4745 12.6851 12.6979 15.0150 15.0171 15.1776 15.1799 16.0838 16.1001 16.1726 16.1895 16.6443 16.6603 k = 0.0000 0.8564 0.5029 ( 2650 PWs) bands (ev): -48.7446 -48.7446 -48.7421 -48.7421 -24.8217 -24.8212 -24.7811 -24.7800 -22.5768 -22.5761 -22.4712 -22.4709 -22.1663 -22.1646 -22.1160 -22.1138 -6.5228 -6.5188 -6.4826 -6.4783 -4.9047 -4.8979 -4.8233 -4.8156 5.1405 5.1419 5.1670 5.1689 5.4495 5.4501 5.4891 5.4896 7.7238 7.7469 7.8231 7.8515 8.5026 8.5097 8.5769 8.5784 9.0781 9.0874 9.2352 9.2420 9.9938 9.9967 10.2198 10.2210 12.4651 12.4729 12.6805 12.6918 15.0106 15.0166 15.1793 15.1847 16.0896 16.1055 16.1805 16.1979 16.6538 16.6560 k = 0.0000 0.8564 0.5029 ( 2650 PWs) bands (ev): -48.7446 -48.7446 -48.7421 -48.7421 -24.8217 -24.8212 -24.7811 -24.7800 -22.5768 -22.5761 -22.4712 -22.4709 -22.1663 -22.1646 -22.1160 -22.1138 -6.5228 -6.5188 -6.4826 -6.4783 -4.9047 -4.8979 -4.8233 -4.8156 5.1405 5.1419 5.1670 5.1689 5.4495 5.4501 5.4891 5.4896 7.7238 7.7469 7.8231 7.8515 8.5026 8.5097 8.5769 8.5784 9.0781 9.0874 9.2352 9.2420 9.9938 9.9967 10.2198 10.2210 12.4651 12.4729 12.6805 12.6918 15.0106 15.0166 15.1793 15.1847 16.0896 16.1055 16.1805 16.1979 16.6538 16.6560 k = 0.0000 0.8609 0.4949 ( 2648 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8216 -24.8214 -24.7808 -24.7803 -22.5767 -22.5764 -22.4712 -22.4710 -22.1658 -22.1650 -22.1154 -22.1144 -6.5222 -6.5202 -6.4819 -6.4798 -4.9024 -4.8989 -4.8206 -4.8167 5.1397 5.1404 5.1665 5.1675 5.4486 5.4489 5.4870 5.4872 7.7312 7.7428 7.8320 7.8462 8.5072 8.5109 8.5744 8.5753 9.0820 9.0867 9.2376 9.2410 9.9979 9.9993 10.2208 10.2214 12.4664 12.4704 12.6770 12.6828 15.0125 15.0155 15.1808 15.1835 16.0929 16.1009 16.1852 16.1939 16.6534 16.6545 k = 0.0000 0.8654 0.4869 ( 2648 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8215 -24.8215 -24.7806 -24.7806 -22.5766 -22.5766 -22.4711 -22.4711 -22.1654 -22.1654 -22.1149 -22.1149 -6.5214 -6.5214 -6.4810 -6.4810 -4.9004 -4.9004 -4.8184 -4.8184 5.1397 5.1397 5.1667 5.1667 5.4484 5.4484 5.4864 5.4864 7.7376 7.7376 7.8397 7.8397 8.5100 8.5100 8.5739 8.5739 9.0849 9.0849 9.2395 9.2395 9.9997 9.9997 10.2214 10.2214 12.4683 12.4683 12.6778 12.6778 15.0142 15.0142 15.1822 15.1822 16.0966 16.0966 16.1897 16.1897 16.6536 16.6536 k = 0.0000 0.8654 0.4869 ( 2648 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8215 -24.8215 -24.7806 -24.7806 -22.5766 -22.5766 -22.4711 -22.4711 -22.1654 -22.1654 -22.1149 -22.1149 -6.5214 -6.5214 -6.4810 -6.4810 -4.9004 -4.9004 -4.8184 -4.8184 5.1397 5.1397 5.1667 5.1667 5.4484 5.4484 5.4864 5.4864 7.7376 7.7376 7.8397 7.8397 8.5100 8.5100 8.5739 8.5739 9.0849 9.0849 9.2395 9.2395 9.9997 9.9997 10.2214 10.2214 12.4683 12.4683 12.6778 12.6778 15.0142 15.0142 15.1822 15.1822 16.0966 16.0966 16.1897 16.1897 16.6536 16.6536 k = 0.0152 0.8654 0.4869 ( 2648 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8218 -24.8211 -24.7810 -24.7802 -22.5776 -22.5755 -22.4722 -22.4702 -22.1659 -22.1648 -22.1154 -22.1144 -6.5217 -6.5201 -6.4814 -6.4796 -4.9014 -4.9006 -4.8193 -4.8188 5.1401 5.1421 5.1680 5.1682 5.4485 5.4498 5.4869 5.4876 7.7332 7.7365 7.8360 7.8373 8.5111 8.5122 8.5737 8.5752 9.0812 9.0845 9.2362 9.2377 10.0005 10.0005 10.2220 10.2228 12.4705 12.4706 12.6793 12.6797 15.0126 15.0142 15.1804 15.1819 16.0976 16.0978 16.1902 16.1907 16.6540 16.6547 k = 0.0303 0.8654 0.4869 ( 2652 PWs) bands (ev): -48.7446 -48.7446 -48.7421 -48.7421 -24.8221 -24.8207 -24.7815 -24.7799 -22.5786 -22.5743 -22.4734 -22.4694 -22.1664 -22.1642 -22.1160 -22.1140 -6.5211 -6.5180 -6.4811 -6.4775 -4.9036 -4.9021 -4.8216 -4.8206 5.1435 5.1475 5.1720 5.1724 5.4500 5.4526 5.4891 5.4905 7.7234 7.7300 7.8263 7.8289 8.5152 8.5174 8.5748 8.5777 9.0735 9.0801 9.2277 9.2308 10.0028 10.0028 10.2249 10.2264 12.4773 12.4774 12.6842 12.6849 15.0095 15.0127 15.1764 15.1794 16.1007 16.1012 16.1922 16.1932 16.6559 16.6572 k = 0.0455 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7447 -48.7447 -48.7422 -48.7422 -24.8224 -24.8203 -24.7820 -24.7797 -22.5794 -22.5729 -22.4747 -22.4688 -22.1668 -22.1636 -22.1167 -22.1137 -6.5197 -6.5149 -6.4798 -6.4744 -4.9071 -4.9047 -4.8253 -4.8238 5.1496 5.1557 5.1787 5.1793 5.4530 5.4568 5.4931 5.4952 7.7085 7.7182 7.8110 7.8147 8.5220 8.5254 8.5771 8.5811 9.0619 9.0716 9.2142 9.2188 10.0067 10.0067 10.2298 10.2321 12.4886 12.4888 12.6924 12.6935 15.0048 15.0095 15.1704 15.1747 16.1059 16.1066 16.1956 16.1970 16.6595 16.6615 k = 0.0606 0.8654 0.4869 ( 2660 PWs) bands (ev): -48.7447 -48.7447 -48.7422 -48.7422 -24.8226 -24.8198 -24.7826 -24.7794 -22.5801 -22.5715 -22.4762 -22.4682 -22.1672 -22.1628 -22.1174 -22.1134 -6.5173 -6.5110 -6.4778 -6.4706 -4.9117 -4.9085 -4.8302 -4.8282 5.1586 5.1668 5.1881 5.1890 5.4574 5.4625 5.4988 5.5017 7.6889 7.7016 7.7906 7.7952 8.5307 8.5355 8.5806 8.5853 9.0464 9.0590 9.1957 9.2019 10.0123 10.0123 10.2368 10.2399 12.5043 12.5045 12.7039 12.7054 14.9985 15.0047 15.1622 15.1679 16.1128 16.1138 16.1999 16.2018 16.6648 16.6677 k = 0.0758 0.8654 0.4869 ( 2662 PWs) bands (ev): -48.7448 -48.7448 -48.7422 -48.7422 -24.8227 -24.8193 -24.7831 -24.7793 -22.5807 -22.5700 -22.4778 -22.4678 -22.1675 -22.1621 -22.1181 -22.1131 -6.5141 -6.5062 -6.4749 -6.4659 -4.9174 -4.9134 -4.8365 -4.8340 5.1701 5.1805 5.1999 5.2013 5.4633 5.4698 5.5063 5.5100 7.6649 7.6805 7.7657 7.7709 8.5405 8.5470 8.5851 8.5898 9.0273 9.0425 9.1724 9.1802 10.0195 10.0197 10.2459 10.2497 12.5242 12.5244 12.7188 12.7206 14.9905 14.9981 15.1518 15.1588 16.1212 16.1226 16.2049 16.2073 16.6724 16.6762 k = 0.0909 0.8654 0.4869 ( 2662 PWs) bands (ev): -48.7448 -48.7448 -48.7422 -48.7422 -24.8228 -24.8187 -24.7838 -24.7792 -22.5812 -22.5683 -22.4794 -22.4676 -22.1677 -22.1612 -22.1189 -22.1129 -6.5100 -6.5005 -6.4713 -6.4604 -4.9243 -4.9195 -4.8440 -4.8409 5.1842 5.1969 5.2142 5.2162 5.4708 5.4787 5.5157 5.5202 7.6371 7.6554 7.7368 7.7424 8.5504 8.5592 8.5908 8.5946 9.0046 9.0222 9.1444 9.1540 10.0285 10.0288 10.2568 10.2614 12.5482 12.5484 12.7369 12.7390 14.9807 14.9897 15.1393 15.1474 16.1308 16.1325 16.2101 16.2130 16.6826 16.6876 k = 0.1061 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7447 -48.7447 -48.7422 -48.7422 -24.8228 -24.8181 -24.7844 -24.7791 -22.5815 -22.5666 -22.4812 -22.4674 -22.1678 -22.1603 -22.1197 -22.1128 -6.5052 -6.4940 -6.4668 -6.4542 -4.9323 -4.9266 -4.8528 -4.8491 5.2006 5.2156 5.2308 5.2336 5.4799 5.4893 5.5269 5.5323 7.6059 7.6268 7.7046 7.7104 8.5592 8.5712 8.5975 8.5992 8.9787 8.9983 9.1121 9.1234 10.0394 10.0398 10.2697 10.2749 12.5761 12.5762 12.7582 12.7606 14.9690 14.9792 15.1247 15.1337 16.1410 16.1431 16.2151 16.2184 16.6959 16.7022 k = 0.1212 0.8654 0.4869 ( 2662 PWs) bands (ev): -48.7447 -48.7447 -48.7423 -48.7423 -24.8228 -24.8174 -24.7851 -24.7791 -22.5817 -22.5648 -22.4831 -22.4675 -22.1679 -22.1594 -22.1205 -22.1127 -6.4995 -6.4867 -6.4617 -6.4472 -4.9412 -4.9347 -4.8628 -4.8585 5.2192 5.2364 5.2497 5.2532 5.4907 5.5018 5.5401 5.5464 7.5720 7.5953 7.6694 7.6753 8.5659 8.5817 8.6038 8.6053 8.9501 8.9713 9.0759 9.0890 10.0521 10.0526 10.2842 10.2901 12.6077 12.6077 12.7826 12.7853 14.9553 14.9668 15.1078 15.1177 16.1514 16.1539 16.2193 16.2229 16.7127 16.7205 k = 0.1364 0.8654 0.4869 ( 2664 PWs) bands (ev): -48.7447 -48.7447 -48.7423 -48.7423 -24.8227 -24.8167 -24.7859 -24.7791 -22.5818 -22.5630 -22.4851 -22.4676 -22.1680 -22.1585 -22.1215 -22.1127 -6.4930 -6.4786 -6.4558 -6.4395 -4.9512 -4.9437 -4.8738 -4.8689 5.2396 5.2589 5.2707 5.2750 5.5035 5.5162 5.5553 5.5627 7.5357 7.5612 7.6319 7.6376 8.5698 8.5889 8.6086 8.6135 8.9194 8.9416 9.0362 9.0513 10.0667 10.0674 10.3003 10.3068 12.6425 12.6427 12.8101 12.8130 14.9397 14.9522 15.0888 15.0995 16.1613 16.1642 16.2223 16.2262 16.7334 16.7430 k = 0.1515 0.8654 0.4869 ( 2664 PWs) bands (ev): -48.7447 -48.7447 -48.7423 -48.7423 -24.8226 -24.8160 -24.7867 -24.7792 -22.5818 -22.5610 -22.4872 -22.4679 -22.1679 -22.1575 -22.1224 -22.1128 -6.4858 -6.4698 -6.4492 -6.4311 -4.9621 -4.9537 -4.8859 -4.8803 5.2618 5.2827 5.2938 5.2987 5.5184 5.5328 5.5726 5.5812 7.4974 7.5252 7.5923 7.5978 8.5703 8.5910 8.6139 8.6211 8.8876 8.9101 8.9940 9.0110 10.0832 10.0840 10.3177 10.3248 12.6805 12.6809 12.8405 12.8436 14.9220 14.9354 15.0676 15.0789 16.1703 16.1736 16.2239 16.2279 16.7584 16.7699 k = 0.1667 0.8654 0.4869 ( 2666 PWs) bands (ev): -48.7447 -48.7447 -48.7423 -48.7423 -24.8225 -24.8152 -24.7875 -24.7793 -22.5816 -22.5590 -22.4894 -22.4683 -22.1678 -22.1564 -22.1234 -22.1129 -6.4780 -6.4603 -6.4420 -6.4220 -4.9737 -4.9644 -4.8990 -4.8927 5.2853 5.3073 5.3189 5.3237 5.5356 5.5518 5.5921 5.6020 7.4576 7.4877 7.5511 7.5563 8.5667 8.5871 8.6180 8.6266 8.8562 8.8777 8.9504 8.9693 10.1014 10.1024 10.3363 10.3439 12.7213 12.7221 12.8737 12.8770 14.9023 14.9165 15.0443 15.0561 16.1777 16.1815 16.2237 16.2278 16.7879 16.8013 k = 0.1818 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7446 -48.7446 -48.7423 -48.7423 -24.8222 -24.8143 -24.7883 -24.7795 -22.5813 -22.5568 -22.4917 -22.4688 -22.1676 -22.1553 -22.1244 -22.1130 -6.4695 -6.4501 -6.4343 -6.4124 -4.9862 -4.9759 -4.9130 -4.9059 5.3099 5.3325 5.3454 5.3499 5.5554 5.5735 5.6139 5.6253 7.4167 7.4489 7.5085 7.5135 8.5579 8.5765 8.6183 8.6280 8.8272 8.8461 8.9073 8.9278 10.1213 10.1226 10.3558 10.3638 12.7648 12.7659 12.9097 12.9130 14.8805 14.8954 15.0189 15.0311 16.1832 16.1874 16.2218 16.2259 16.8219 16.8373 k = 0.1970 0.8654 0.4869 ( 2656 PWs) bands (ev): -48.7445 -48.7445 -48.7423 -48.7423 -24.8220 -24.8135 -24.7891 -24.7797 -22.5809 -22.5547 -22.4940 -22.4695 -22.1674 -22.1542 -22.1255 -22.1132 -6.4604 -6.4394 -6.4260 -6.4023 -4.9993 -4.9880 -4.9278 -4.9199 5.3354 5.3582 5.3728 5.3765 5.5783 5.5982 5.6381 5.6511 7.3750 7.4094 7.4650 7.4697 8.5425 8.5578 8.6123 8.6227 8.8026 8.8169 8.8676 8.8886 10.1428 10.1442 10.3760 10.3844 12.8106 12.8121 12.9482 12.9515 14.8566 14.8722 14.9915 15.0040 16.1865 16.1909 16.2183 16.2221 16.8605 16.8778 k = 0.2121 0.8654 0.4869 ( 2654 PWs) bands (ev): -48.7445 -48.7445 -48.7423 -48.7423 -24.8217 -24.8126 -24.7900 -24.7799 -22.5803 -22.5524 -22.4965 -22.4703 -22.1671 -22.1530 -22.1266 -22.1135 -6.4507 -6.4281 -6.4172 -6.3917 -5.0129 -5.0006 -4.9433 -4.9346 5.3615 5.3842 5.4005 5.4032 5.6044 5.6261 5.6648 5.6795 7.3328 7.3694 7.4208 7.4253 8.5191 8.5301 8.5970 8.6067 8.7840 8.7924 8.8347 8.8548 10.1656 10.1673 10.3967 10.4053 12.8584 12.8604 12.9890 12.9923 14.8308 14.8469 14.9621 14.9748 16.1873 16.1918 16.2133 16.2167 16.9035 16.9225 k = 0.2273 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7445 -48.7445 -48.7424 -48.7424 -24.8214 -24.8117 -24.7909 -24.7803 -22.5797 -22.5502 -22.4990 -22.4712 -22.1667 -22.1518 -22.1277 -22.1138 -6.4407 -6.4163 -6.4081 -6.3807 -5.0270 -5.0136 -4.9595 -4.9498 5.3878 5.4103 5.4280 5.4294 5.6341 5.6575 5.6940 5.7105 7.2904 7.3293 7.3762 7.3806 8.4871 8.4933 8.5704 8.5771 8.7714 8.7744 8.8110 8.8289 10.1898 10.1917 10.4175 10.4264 12.9081 12.9107 13.0322 13.0353 14.8031 14.8197 14.9309 14.9437 16.1856 16.1898 16.2074 16.2099 16.9506 16.9711 k = 0.2424 0.8654 0.4869 ( 2656 PWs) bands (ev): -48.7444 -48.7444 -48.7424 -48.7424 -24.8210 -24.8108 -24.7918 -24.7807 -22.5789 -22.5478 -22.5016 -22.4723 -22.1663 -22.1506 -22.1289 -22.1142 -6.4302 -6.4041 -6.3987 -6.3695 -5.0414 -5.0270 -4.9761 -4.9655 5.4143 5.4365 5.4549 5.4550 5.6674 5.6923 5.7256 5.7441 7.2480 7.2893 7.3314 7.3359 8.4469 8.4489 8.5321 8.5342 8.7630 8.7638 8.7961 8.8117 10.2149 10.2170 10.4383 10.4473 12.9593 12.9625 13.0773 13.0801 14.7735 14.7905 14.8978 14.9107 16.1815 16.1849 16.2007 16.2020 17.0016 17.0233 k = 0.2576 0.8654 0.4869 ( 2650 PWs) bands (ev): -48.7443 -48.7443 -48.7424 -48.7424 -24.8205 -24.8098 -24.7927 -24.7811 -22.5780 -22.5454 -22.5042 -22.4734 -22.1658 -22.1494 -22.1300 -22.1146 -6.4194 -6.3917 -6.3890 -6.3579 -5.0561 -5.0405 -4.9931 -4.9815 5.4406 5.4624 5.4793 5.4813 5.7042 5.7306 5.7597 5.7802 7.2060 7.2497 7.2869 7.2915 8.3985 8.3998 8.4813 8.4841 8.7567 8.7597 8.7879 8.8016 10.2409 10.2433 10.4588 10.4679 13.0118 13.0157 13.1242 13.1267 14.7423 14.7596 14.8632 14.8760 16.1751 16.1775 16.1932 16.1935 17.0559 17.0786 k = 0.2727 0.8654 0.4869 ( 2646 PWs) bands (ev): -48.7442 -48.7442 -48.7424 -48.7424 -24.8200 -24.8088 -24.7937 -24.7815 -22.5769 -22.5430 -22.5068 -22.4747 -22.1652 -22.1481 -22.1312 -22.1151 -6.4085 -6.3792 -6.3790 -6.3463 -5.0708 -5.0541 -5.0103 -4.9977 5.4665 5.4881 5.5028 5.5067 5.7442 5.7719 5.7960 5.8185 7.1646 7.2108 7.2430 7.2478 8.3437 8.3473 8.4218 8.4290 8.7535 8.7579 8.7842 8.7964 10.2676 10.2701 10.4788 10.4878 13.0653 13.0700 13.1727 13.1748 14.7095 14.7270 14.8269 14.8397 16.1668 16.1683 16.1837 16.1854 17.1132 17.1366 k = 0.2879 0.8654 0.4869 ( 2644 PWs) bands (ev): -48.7441 -48.7441 -48.7424 -48.7424 -24.8195 -24.8078 -24.7947 -24.7820 -22.5758 -22.5405 -22.5096 -22.4761 -22.1646 -22.1468 -22.1324 -22.1157 -6.3973 -6.3693 -6.3661 -6.3346 -5.0855 -5.0677 -5.0277 -5.0140 5.4920 5.5133 5.5253 5.5312 5.7870 5.8159 5.8344 5.8590 7.1241 7.1727 7.1999 7.2050 8.2859 8.2907 8.3582 8.3692 8.7525 8.7576 8.7830 8.7942 10.2946 10.2973 10.4980 10.5070 13.1196 13.1251 13.2225 13.2241 14.6752 14.6930 14.7892 14.8019 16.1570 16.1579 16.1736 16.1764 17.1731 17.1969 k = 0.3030 0.8654 0.4869 ( 2648 PWs) bands (ev): -48.7441 -48.7441 -48.7425 -48.7425 -24.8189 -24.8069 -24.7957 -24.7826 -22.5745 -22.5381 -22.5123 -22.4776 -22.1639 -22.1455 -22.1337 -22.1163 -6.3861 -6.3594 -6.3532 -6.3230 -5.1000 -5.0810 -5.0451 -5.0303 5.5168 5.5380 5.5468 5.5550 5.8319 5.8621 5.8745 5.9011 7.0848 7.1356 7.1582 7.1634 8.2260 8.2313 8.2920 8.3063 8.7527 8.7585 8.7833 8.7936 10.3217 10.3247 10.5162 10.5251 13.1745 13.1808 13.2734 13.2744 14.6397 14.6576 14.7503 14.7627 16.1462 16.1468 16.1629 16.1665 17.2350 17.2590 k = 0.3182 0.8654 0.4869 ( 2652 PWs) bands (ev): -48.7441 -48.7441 -48.7426 -48.7426 -24.8184 -24.8059 -24.7967 -24.7833 -22.5731 -22.5355 -22.5151 -22.4792 -22.1632 -22.1443 -22.1350 -22.1170 -6.3750 -6.3498 -6.3404 -6.3117 -5.1141 -5.0940 -5.0623 -5.0463 5.5409 5.5620 5.5676 5.5780 5.8785 5.9099 5.9161 5.9447 7.0469 7.0995 7.1184 7.1235 8.1648 8.1699 8.2244 8.2417 8.7539 8.7600 8.7841 8.7938 10.3488 10.3520 10.5332 10.5420 13.2297 13.2369 13.3250 13.3253 14.6031 14.6211 14.7102 14.7224 16.1349 16.1354 16.1518 16.1559 17.2986 17.3225 k = 0.3333 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7442 -48.7442 -48.7427 -48.7427 -24.8178 -24.8048 -24.7977 -24.7839 -22.5716 -22.5330 -22.5180 -22.4809 -22.1624 -22.1430 -22.1363 -22.1178 -6.3641 -6.3404 -6.3278 -6.3006 -5.1278 -5.1065 -5.0792 -5.0621 5.5642 5.5853 5.5875 5.6002 5.9259 5.9586 5.9588 5.9893 7.0108 7.0641 7.0814 7.0856 8.1032 8.1075 8.1564 8.1764 8.7557 8.7621 8.7852 8.7943 10.3755 10.3789 10.5488 10.5574 13.2849 13.2929 13.3767 13.3770 14.5656 14.5836 14.6692 14.6810 16.1235 16.1239 16.1403 16.1448 17.3634 17.3869 k = 0.3485 0.8654 0.4869 ( 2662 PWs) bands (ev): -48.7442 -48.7442 -48.7428 -48.7428 -24.8171 -24.8038 -24.7988 -24.7846 -22.5700 -22.5305 -22.5208 -22.4827 -22.1616 -22.1417 -22.1376 -22.1186 -6.3534 -6.3313 -6.3155 -6.2900 -5.1407 -5.1184 -5.0957 -5.0773 5.5864 5.6067 5.6077 5.6216 5.9734 6.0021 6.0074 6.0344 6.9768 7.0295 7.0479 7.0501 8.0420 8.0448 8.0888 8.1112 8.7579 8.7644 8.7863 8.7949 10.4017 10.4053 10.5628 10.5713 13.3400 13.3487 13.4281 13.4289 14.5275 14.5454 14.6274 14.6388 16.1122 16.1128 16.1287 16.1335 17.4287 17.4517 k = 0.3636 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7441 -48.7441 -48.7428 -48.7428 -24.8164 -24.8028 -24.7998 -24.7854 -22.5682 -22.5279 -22.5236 -22.4846 -22.1606 -22.1404 -22.1389 -22.1194 -6.3431 -6.3228 -6.3036 -6.2800 -5.1529 -5.1295 -5.1115 -5.0920 5.6075 5.6249 5.6291 5.6420 6.0201 6.0457 6.0554 6.0797 6.9454 6.9962 7.0173 7.0179 7.9818 7.9826 8.0224 8.0470 8.7603 8.7669 8.7871 8.7954 10.4272 10.4310 10.5751 10.5833 13.3945 13.4040 13.4790 13.4805 14.4891 14.5069 14.5851 14.5960 16.1014 16.1022 16.1173 16.1222 17.4942 17.5163 k = 0.3788 0.8654 0.4869 ( 2654 PWs) bands (ev): -48.7439 -48.7439 -48.7428 -48.7428 -24.8157 -24.8017 -24.8008 -24.7861 -22.5664 -22.5265 -22.5253 -22.4865 -22.1597 -22.1402 -22.1390 -22.1203 -6.3334 -6.3149 -6.2922 -6.2707 -5.1640 -5.1397 -5.1265 -5.1058 5.6272 5.6421 5.6493 5.6613 6.0650 6.0888 6.1015 6.1244 6.9171 6.9651 6.9876 6.9913 7.9218 7.9237 7.9580 7.9846 8.7629 8.7696 8.7878 8.7957 10.4516 10.4556 10.5855 10.5935 13.4483 13.4583 13.5291 13.5311 14.4508 14.4683 14.5425 14.5528 16.0912 16.0922 16.1062 16.1111 17.5591 17.5802 k = 0.3939 0.8654 0.4869 ( 2656 PWs) bands (ev): -48.7439 -48.7439 -48.7429 -48.7429 -24.8149 -24.8018 -24.8006 -24.7869 -22.5645 -22.5293 -22.5227 -22.4886 -22.1587 -22.1415 -22.1377 -22.1212 -6.3242 -6.3078 -6.2816 -6.2623 -5.1740 -5.1488 -5.1406 -5.1187 5.6455 5.6580 5.6682 5.6792 6.1075 6.1307 6.1449 6.1676 6.8924 6.9372 6.9612 6.9677 7.8634 7.8686 7.8963 7.9248 8.7656 8.7723 8.7881 8.7958 10.4748 10.4791 10.5939 10.6016 13.5008 13.5113 13.5777 13.5801 14.4131 14.4302 14.5001 14.5097 16.0818 16.0831 16.0956 16.1005 17.6230 17.6427 k = 0.4091 0.8654 0.4869 ( 2658 PWs) bands (ev): -48.7439 -48.7439 -48.7430 -48.7430 -24.8141 -24.8028 -24.7996 -24.7878 -22.5624 -22.5321 -22.5201 -22.4907 -22.1577 -22.1429 -22.1364 -22.1222 -6.3158 -6.3015 -6.2719 -6.2549 -5.1826 -5.1567 -5.1536 -5.1306 5.6620 5.6725 5.6855 5.6954 6.1468 6.1701 6.1848 6.2082 6.8720 6.9132 6.9383 6.9472 7.8086 7.8175 7.8385 7.8686 8.7683 8.7749 8.7881 8.7955 10.4966 10.5011 10.6001 10.6076 13.5516 13.5624 13.6240 13.6266 14.3768 14.3933 14.4582 14.4669 16.0735 16.0751 16.0858 16.0907 17.6850 17.7029 k = 0.4242 0.8654 0.4869 ( 2660 PWs) bands (ev): -48.7438 -48.7438 -48.7431 -48.7431 -24.8133 -24.8039 -24.7985 -24.7886 -22.5603 -22.5349 -22.5175 -22.4929 -22.1566 -22.1442 -22.1351 -22.1232 -6.3083 -6.2962 -6.2631 -6.2487 -5.1898 -5.1653 -5.1632 -5.1412 5.6767 5.6852 5.7009 5.7097 6.1824 6.2057 6.2208 6.2445 6.8565 6.8937 6.9187 6.9294 7.7588 7.7718 7.7855 7.8169 8.7709 8.7775 8.7878 8.7951 10.5168 10.5216 10.6041 10.6113 13.6000 13.6109 13.6670 13.6695 14.3430 14.3585 14.4175 14.4252 16.0664 16.0683 16.0770 16.0817 17.7442 17.7602 k = 0.4394 0.8654 0.4869 ( 2660 PWs) bands (ev): -48.7438 -48.7438 -48.7431 -48.7431 -24.8124 -24.8049 -24.7975 -24.7895 -22.5581 -22.5377 -22.5149 -22.4952 -22.1555 -22.1455 -22.1338 -22.1243 -6.3017 -6.2919 -6.2554 -6.2437 -5.1954 -5.1756 -5.1683 -5.1506 5.6892 5.6960 5.7143 5.7217 6.2136 6.2359 6.2521 6.2750 6.8464 6.8793 6.9021 6.9140 7.7154 7.7327 7.7384 7.7710 8.7734 8.7800 8.7872 8.7943 10.5353 10.5403 10.6058 10.6128 13.6452 13.6558 13.7051 13.7072 14.3131 14.3273 14.3790 14.3853 16.0606 16.0628 16.0693 16.0739 17.7998 17.8133 k = 0.4545 0.8654 0.4869 ( 2660 PWs) bands (ev): -48.7437 -48.7437 -48.7432 -48.7432 -24.8116 -24.8059 -24.7964 -24.7905 -22.5558 -22.5405 -22.5123 -22.4975 -22.1543 -22.1468 -22.1326 -22.1254 -6.2962 -6.2888 -6.2489 -6.2400 -5.1993 -5.1843 -5.1719 -5.1585 5.6994 5.7045 5.7253 5.7312 6.2400 6.2595 6.2783 6.2985 6.8418 6.8703 6.8880 6.9008 7.6802 7.6988 7.7018 7.7321 8.7758 8.7825 8.7863 8.7933 10.5519 10.5570 10.6051 10.6118 13.6860 13.6960 13.7366 13.7376 14.2890 14.3013 14.3438 14.3484 16.0562 16.0588 16.0629 16.0672 17.8504 17.8610 k = 0.4697 0.8654 0.4869 ( 2662 PWs) bands (ev): -48.7436 -48.7436 -48.7433 -48.7433 -24.8107 -24.8069 -24.7954 -24.7914 -22.5534 -22.5432 -22.5098 -22.4999 -22.1531 -22.1481 -22.1313 -22.1265 -6.2919 -6.2869 -6.2438 -6.2378 -5.2014 -5.1913 -5.1738 -5.1648 5.7071 5.7105 5.7338 5.7378 6.2609 6.2754 6.2989 6.3141 6.8425 6.8666 6.8758 6.8894 7.6547 7.6679 7.6803 7.7014 8.7781 8.7847 8.7852 8.7920 10.5664 10.5718 10.6021 10.6085 13.7208 13.7297 13.7585 13.7590 14.2732 14.2829 14.3136 14.3161 16.0534 16.0563 16.0579 16.0620 17.8948 17.9020 k = 0.4848 0.8654 0.4869 ( 2664 PWs) bands (ev): -48.7436 -48.7436 -48.7434 -48.7434 -24.8097 -24.8078 -24.7944 -24.7924 -22.5509 -22.5458 -22.5073 -22.5023 -22.1519 -22.1494 -22.1301 -22.1277 -6.2887 -6.2862 -6.2401 -6.2371 -5.2017 -5.1966 -5.1741 -5.1696 5.7121 5.7138 5.7393 5.7414 6.2755 6.2833 6.3134 6.3215 6.8473 6.8648 6.8675 6.8798 7.6404 7.6472 7.6693 7.6801 8.7802 8.7837 8.7868 8.7905 10.5787 10.5844 10.5966 10.6028 13.7475 13.7546 13.7675 13.7702 14.2677 14.2744 14.2904 14.2906 16.0521 16.0544 16.0554 16.0582 17.9316 17.9349 k = 0.5000 0.8654 0.4869 ( 2668 PWs) bands (ev): -48.7436 -48.7436 -48.7435 -48.7435 -24.8088 -24.8088 -24.7934 -24.7934 -22.5484 -22.5484 -22.5048 -22.5048 -22.1507 -22.1507 -22.1289 -22.1289 -6.2869 -6.2869 -6.2378 -6.2378 -5.2001 -5.2001 -5.1727 -5.1727 5.7144 5.7144 5.7419 5.7419 6.2832 6.2832 6.3211 6.3211 6.8551 6.8551 6.8722 6.8722 7.6378 7.6378 7.6692 7.6692 8.7821 8.7821 8.7888 8.7888 10.5888 10.5888 10.5948 10.5948 13.7637 13.7637 13.7687 13.7687 14.2736 14.2736 14.2770 14.2770 16.0525 16.0525 16.0560 16.0560 17.9574 17.9579 k = 0.5000 0.8654 0.4869 ( 2668 PWs) bands (ev): -48.7436 -48.7436 -48.7435 -48.7435 -24.8088 -24.8088 -24.7934 -24.7934 -22.5484 -22.5484 -22.5048 -22.5048 -22.1507 -22.1507 -22.1289 -22.1289 -6.2869 -6.2869 -6.2378 -6.2378 -5.2001 -5.2001 -5.1727 -5.1727 5.7144 5.7144 5.7419 5.7419 6.2832 6.2832 6.3211 6.3211 6.8551 6.8551 6.8722 6.8722 7.6378 7.6378 7.6692 7.6692 8.7821 8.7821 8.7888 8.7888 10.5888 10.5888 10.5948 10.5948 13.7637 13.7637 13.7687 13.7687 14.2736 14.2736 14.2770 14.2770 16.0525 16.0525 16.0560 16.0560 17.9575 17.9579 k = 0.5000 0.8700 0.4789 ( 2664 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8088 -24.8088 -24.7934 -24.7934 -22.5484 -22.5484 -22.5047 -22.5047 -22.1507 -22.1507 -22.1288 -22.1288 -6.2871 -6.2871 -6.2380 -6.2380 -5.1999 -5.1999 -5.1724 -5.1724 5.7140 5.7140 5.7416 5.7416 6.2820 6.2820 6.3199 6.3199 6.8555 6.8555 6.8728 6.8728 7.6396 7.6396 7.6711 7.6711 8.7820 8.7820 8.7887 8.7887 10.5884 10.5884 10.5944 10.5944 13.7599 13.7599 13.7687 13.7687 14.2734 14.2734 14.2807 14.2807 16.0520 16.0520 16.0558 16.0558 17.9552 17.9573 k = 0.5000 0.8745 0.4709 ( 2662 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8088 -24.8088 -24.7933 -24.7933 -22.5484 -22.5484 -22.5045 -22.5045 -22.1507 -22.1507 -22.1288 -22.1288 -6.2876 -6.2876 -6.2387 -6.2387 -5.1992 -5.1992 -5.1717 -5.1717 5.7130 5.7130 5.7405 5.7405 6.2782 6.2782 6.3164 6.3164 6.8566 6.8566 6.8744 6.8744 7.6448 7.6448 7.6769 7.6769 8.7818 8.7818 8.7884 8.7884 10.5872 10.5872 10.5931 10.5931 13.7514 13.7514 13.7663 13.7663 14.2757 14.2757 14.2888 14.2888 16.0507 16.0507 16.0552 16.0552 17.9493 17.9499 k = 0.5000 0.8745 0.4709 ( 2662 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8088 -24.8088 -24.7933 -24.7933 -22.5484 -22.5484 -22.5045 -22.5045 -22.1507 -22.1507 -22.1288 -22.1288 -6.2876 -6.2876 -6.2387 -6.2387 -5.1992 -5.1992 -5.1717 -5.1717 5.7130 5.7130 5.7405 5.7405 6.2782 6.2782 6.3164 6.3164 6.8566 6.8566 6.8744 6.8744 7.6448 7.6448 7.6769 7.6769 8.7818 8.7818 8.7884 8.7884 10.5872 10.5872 10.5931 10.5931 13.7514 13.7514 13.7663 13.7663 14.2757 14.2757 14.2888 14.2888 16.0507 16.0507 16.0552 16.0552 17.9488 17.9493 k = 0.5000 0.8742 0.4557 ( 2662 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8089 -24.8089 -24.7931 -24.7931 -22.5487 -22.5487 -22.5042 -22.5042 -22.1509 -22.1509 -22.1287 -22.1287 -6.2895 -6.2895 -6.2409 -6.2409 -5.1968 -5.1968 -5.1689 -5.1689 5.7087 5.7087 5.7359 5.7359 6.2660 6.2660 6.3046 6.3046 6.8596 6.8596 6.8791 6.8791 7.6618 7.6618 7.6955 7.6955 8.7813 8.7813 8.7880 8.7880 10.5833 10.5833 10.5893 10.5893 13.7265 13.7265 13.7524 13.7524 14.2877 14.2877 14.3108 14.3108 16.0526 16.0526 16.0585 16.0585 17.9279 17.9341 k = 0.5000 0.8739 0.4404 ( 2662 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8092 -24.8092 -24.7929 -24.7929 -22.5492 -22.5492 -22.5037 -22.5037 -22.1511 -22.1511 -22.1284 -22.1284 -6.2925 -6.2925 -6.2444 -6.2444 -5.1928 -5.1928 -5.1643 -5.1643 5.7019 5.7019 5.7285 5.7285 6.2466 6.2466 6.2858 6.2858 6.8655 6.8655 6.8873 6.8873 7.6885 7.6885 7.7244 7.7244 8.7806 8.7806 8.7873 8.7873 10.5772 10.5772 10.5832 10.5832 13.6929 13.6929 13.7275 13.7275 14.3094 14.3094 14.3401 14.3401 16.0559 16.0559 16.0637 16.0637 17.8965 17.8983 k = 0.5000 0.8736 0.4252 ( 2664 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8095 -24.8095 -24.7927 -24.7927 -22.5499 -22.5499 -22.5030 -22.5030 -22.1514 -22.1514 -22.1282 -22.1282 -6.2966 -6.2966 -6.2491 -6.2491 -5.1874 -5.1874 -5.1581 -5.1581 5.6926 5.6926 5.7186 5.7186 6.2205 6.2205 6.2602 6.2602 6.8748 6.8748 6.8995 6.8995 7.7238 7.7238 7.7624 7.7624 8.7796 8.7796 8.7863 8.7863 10.5688 10.5688 10.5749 10.5749 13.6526 13.6526 13.6937 13.6937 14.3384 14.3384 14.3747 14.3747 16.0607 16.0607 16.0703 16.0703 17.8563 17.8640 k = 0.5000 0.8733 0.4100 ( 2658 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8098 -24.8098 -24.7923 -24.7923 -22.5507 -22.5507 -22.5021 -22.5021 -22.1517 -22.1517 -22.1278 -22.1278 -6.3018 -6.3018 -6.2550 -6.2550 -5.1806 -5.1806 -5.1503 -5.1503 5.6812 5.6812 5.7063 5.7063 6.1885 6.1885 6.2286 6.2286 6.8879 6.8879 6.9158 6.9158 7.7663 7.7663 7.8078 7.8078 8.7782 8.7782 8.7849 8.7849 10.5582 10.5582 10.5644 10.5644 13.6077 13.6077 13.6534 13.6534 14.3727 14.3727 14.4126 14.4126 16.0670 16.0670 16.0784 16.0784 17.8089 17.8092 k = 0.5000 0.8731 0.3948 ( 2658 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8102 -24.8102 -24.7919 -24.7919 -22.5516 -22.5516 -22.5010 -22.5010 -22.1521 -22.1521 -22.1274 -22.1274 -6.3078 -6.3078 -6.2620 -6.2620 -5.1726 -5.1726 -5.1411 -5.1411 5.6679 5.6679 5.6920 5.6920 6.1516 6.1516 6.1918 6.1918 6.9052 6.9052 6.9364 6.9364 7.8148 7.8148 7.8592 7.8592 8.7765 8.7765 8.7833 8.7833 10.5455 10.5455 10.5518 10.5518 13.5593 13.5593 13.6084 13.6084 14.4104 14.4104 14.4526 14.4526 16.0746 16.0746 16.0877 16.0877 17.7558 17.7565 k = 0.5000 0.8728 0.3796 ( 2658 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8106 -24.8106 -24.7915 -24.7915 -22.5527 -22.5527 -22.4999 -22.4999 -22.1525 -22.1525 -22.1269 -22.1269 -6.3148 -6.3148 -6.2700 -6.2700 -5.1633 -5.1633 -5.1306 -5.1306 5.6530 5.6530 5.6759 5.6759 6.1108 6.1108 6.1508 6.1508 6.9265 6.9265 6.9609 6.9609 7.8681 7.8681 7.9153 7.9153 8.7746 8.7746 8.7813 8.7813 10.5308 10.5308 10.5372 10.5372 13.5085 13.5085 13.5599 13.5599 14.4502 14.4502 14.4939 14.4939 16.0835 16.0835 16.0980 16.0980 17.6984 17.6994 k = 0.5000 0.8725 0.3644 ( 2656 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8111 -24.8111 -24.7910 -24.7910 -22.5538 -22.5538 -22.4987 -22.4987 -22.1530 -22.1530 -22.1264 -22.1264 -6.3225 -6.3225 -6.2788 -6.2788 -5.1531 -5.1531 -5.1189 -5.1189 5.6368 5.6368 5.6584 5.6584 6.0669 6.0669 6.1067 6.1067 6.9517 6.9517 6.9892 6.9892 7.9249 7.9249 7.9748 7.9748 8.7724 8.7724 8.7790 8.7790 10.5144 10.5144 10.5209 10.5209 13.4560 13.4560 13.5090 13.5090 14.4913 14.4913 14.5359 14.5359 16.0934 16.0934 16.1091 16.1091 17.6378 17.6378 k = 0.5000 0.8722 0.3492 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8116 -24.8116 -24.7905 -24.7905 -22.5549 -22.5549 -22.4974 -22.4974 -22.1535 -22.1535 -22.1258 -22.1258 -6.3308 -6.3308 -6.2884 -6.2884 -5.1419 -5.1419 -5.1062 -5.1062 5.6194 5.6194 5.6397 5.6397 6.0210 6.0210 6.0603 6.0603 6.9803 6.9803 7.0210 7.0210 7.9843 7.9843 8.0369 8.0369 8.7701 8.7701 8.7765 8.7765 10.4963 10.4963 10.5030 10.5030 13.4023 13.4023 13.4564 13.4564 14.5330 14.5330 14.5780 14.5780 16.1043 16.1043 16.1209 16.1209 17.5749 17.5749 k = 0.5000 0.8719 0.3339 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8121 -24.8121 -24.7900 -24.7900 -22.5561 -22.5561 -22.4960 -22.4960 -22.1541 -22.1541 -22.1253 -22.1253 -6.3397 -6.3397 -6.2985 -6.2985 -5.1299 -5.1299 -5.0927 -5.0927 5.6012 5.6012 5.6201 5.6201 5.9738 5.9738 6.0126 6.0126 7.0120 7.0120 7.0557 7.0557 8.0454 8.0454 8.1006 8.1006 8.7677 8.7677 8.7738 8.7738 10.4768 10.4768 10.4836 10.4836 13.3480 13.3480 13.4028 13.4028 14.5748 14.5748 14.6199 14.6199 16.1158 16.1158 16.1332 16.1332 17.5105 17.5106 k = 0.5000 0.8716 0.3187 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8127 -24.8127 -24.7895 -24.7895 -22.5574 -22.5574 -22.4946 -22.4946 -22.1546 -22.1546 -22.1247 -22.1247 -6.3490 -6.3490 -6.3091 -6.3091 -5.1172 -5.1172 -5.0784 -5.0784 5.5822 5.5822 5.5997 5.5997 5.9259 5.9259 5.9643 5.9643 7.0465 7.0465 7.0930 7.0930 8.1073 8.1073 8.1650 8.1650 8.7652 8.7652 8.7710 8.7710 10.4559 10.4559 10.4629 10.4629 13.2933 13.2933 13.3485 13.3485 14.6164 14.6164 14.6614 14.6614 16.1279 16.1279 16.1456 16.1456 17.4455 17.4455 k = 0.5000 0.8714 0.3035 ( 2648 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8132 -24.8132 -24.7889 -24.7889 -22.5586 -22.5586 -22.4932 -22.4932 -22.1551 -22.1551 -22.1241 -22.1241 -6.3586 -6.3586 -6.3201 -6.3201 -5.1040 -5.1040 -5.0636 -5.0636 5.5627 5.5627 5.5787 5.5787 5.8782 5.8782 5.9161 5.9161 7.0832 7.0832 7.1326 7.1326 8.1692 8.1692 8.2293 8.2293 8.7630 8.7630 8.7682 8.7682 10.4341 10.4341 10.4411 10.4411 13.2386 13.2386 13.2939 13.2939 14.6576 14.6576 14.7022 14.7022 16.1403 16.1403 16.1580 16.1580 17.3803 17.3803 k = 0.5000 0.8711 0.2883 ( 2648 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8137 -24.8137 -24.7884 -24.7884 -22.5598 -22.5598 -22.4918 -22.4918 -22.1557 -22.1557 -22.1236 -22.1236 -6.3685 -6.3685 -6.3312 -6.3312 -5.0905 -5.0905 -5.0484 -5.0484 5.5426 5.5426 5.5572 5.5572 5.8310 5.8310 5.8686 5.8686 7.1220 7.1220 7.1742 7.1742 8.2302 8.2302 8.2927 8.2927 8.7611 8.7611 8.7658 8.7658 10.4113 10.4113 10.4185 10.4185 13.1842 13.1842 13.2395 13.2395 14.6980 14.6980 14.7422 14.7422 16.1527 16.1527 16.1702 16.1702 17.3156 17.3156 k = 0.5000 0.8708 0.2731 ( 2650 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8143 -24.8143 -24.7879 -24.7879 -22.5610 -22.5610 -22.4904 -22.4904 -22.1563 -22.1563 -22.1230 -22.1230 -6.3784 -6.3784 -6.3425 -6.3425 -5.0766 -5.0766 -5.0329 -5.0329 5.5221 5.5221 5.5354 5.5354 5.7850 5.7850 5.8224 5.8224 7.1625 7.1625 7.2173 7.2173 8.2895 8.2895 8.3543 8.3543 8.7600 8.7600 8.7644 8.7644 10.3880 10.3880 10.3953 10.3953 13.1304 13.1304 13.1854 13.1854 14.7375 14.7375 14.7812 14.7812 16.1649 16.1649 16.1819 16.1819 17.2518 17.2518 k = 0.5000 0.8705 0.2579 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8148 -24.8148 -24.7874 -24.7874 -22.5623 -22.5623 -22.4890 -22.4890 -22.1568 -22.1568 -22.1225 -22.1225 -6.3884 -6.3884 -6.3538 -6.3538 -5.0627 -5.0627 -5.0174 -5.0174 5.5011 5.5011 5.5133 5.5133 5.7407 5.7407 5.7778 5.7778 7.2043 7.2043 7.2618 7.2618 8.3459 8.3459 8.4127 8.4127 8.7600 8.7600 8.7650 8.7650 10.3642 10.3642 10.3716 10.3716 13.0775 13.0775 13.1321 13.1321 14.7759 14.7759 14.8191 14.8191 16.1765 16.1765 16.1930 16.1930 17.1893 17.1893 k = 0.5000 0.8702 0.2426 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7433 -48.7433 -24.8153 -24.8153 -24.7869 -24.7869 -22.5634 -22.5634 -22.4877 -22.4877 -22.1573 -22.1573 -22.1219 -22.1219 -6.3984 -6.3984 -6.3650 -6.3650 -5.0488 -5.0488 -5.0018 -5.0018 5.4795 5.4795 5.4910 5.4910 5.6984 5.6984 5.7355 5.7355 7.2472 7.2472 7.3073 7.3073 8.3979 8.3979 8.4662 8.4662 8.7619 8.7619 8.7689 8.7689 10.3402 10.3402 10.3476 10.3476 13.0256 13.0256 13.0797 13.0797 14.8130 14.8130 14.8557 14.8557 16.1870 16.1870 16.2035 16.2035 17.1285 17.1285 k = 0.5000 0.8700 0.2274 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8158 -24.8158 -24.7865 -24.7865 -22.5646 -22.5646 -22.4863 -22.4863 -22.1579 -22.1579 -22.1214 -22.1214 -6.4081 -6.4081 -6.3760 -6.3760 -5.0349 -5.0349 -4.9865 -4.9865 5.4573 5.4573 5.4683 5.4683 5.6587 5.6587 5.6958 5.6958 7.2908 7.2908 7.3536 7.3536 8.4439 8.4439 8.5126 8.5126 8.7674 8.7674 8.7779 8.7779 10.3162 10.3162 10.3237 10.3237 12.9751 12.9751 13.0286 13.0286 14.8489 14.8489 14.8909 14.8909 16.1960 16.1960 16.2132 16.2132 17.0699 17.0699 k = 0.5000 0.8697 0.2122 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8163 -24.8163 -24.7860 -24.7860 -22.5657 -22.5657 -22.4851 -22.4851 -22.1584 -22.1584 -22.1209 -22.1209 -6.4177 -6.4177 -6.3868 -6.3868 -5.0214 -5.0214 -4.9714 -4.9714 5.4344 5.4344 5.4454 5.4454 5.6220 5.6220 5.6590 5.6590 7.3350 7.3350 7.4004 7.4004 8.4818 8.4818 8.5489 8.5489 8.7786 8.7786 8.7938 8.7938 10.2925 10.2925 10.3000 10.3000 12.9263 12.9263 12.9790 12.9790 14.8832 14.8832 14.9246 14.9246 16.2030 16.2030 16.2222 16.2222 17.0136 17.0136 k = 0.5000 0.8694 0.1970 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7433 -48.7433 -24.8167 -24.8167 -24.7856 -24.7856 -22.5667 -22.5667 -22.4838 -22.4838 -22.1588 -22.1588 -22.1204 -22.1204 -6.4269 -6.4269 -6.3972 -6.3972 -5.0081 -5.0081 -4.9567 -4.9567 5.4109 5.4109 5.4220 5.4220 5.5886 5.5886 5.6253 5.6253 7.3794 7.3794 7.4475 7.4475 8.5099 8.5099 8.5731 8.5731 8.7971 8.7971 8.8181 8.8181 10.2692 10.2692 10.2767 10.2767 12.8792 12.8792 12.9312 12.9312 14.9159 14.9159 14.9567 14.9567 16.2076 16.2076 16.2304 16.2304 16.9602 16.9602 k = 0.5000 0.8691 0.1818 ( 2648 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8172 -24.8172 -24.7851 -24.7851 -22.5677 -22.5677 -22.4826 -22.4826 -22.1593 -22.1593 -22.1199 -22.1199 -6.4358 -6.4358 -6.4071 -6.4071 -4.9953 -4.9953 -4.9426 -4.9426 5.3869 5.3869 5.3983 5.3983 5.5587 5.5587 5.5949 5.5949 7.4238 7.4238 7.4945 7.4945 8.5279 8.5279 8.5855 8.5855 8.8230 8.8230 8.8501 8.8501 10.2466 10.2466 10.2540 10.2540 12.8342 12.8342 12.8853 12.8853 14.9469 14.9469 14.9870 14.9870 16.2096 16.2096 16.2374 16.2374 16.9100 16.9100 k = 0.5000 0.8688 0.1666 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8176 -24.8176 -24.7848 -24.7848 -22.5686 -22.5686 -22.4816 -22.4816 -22.1597 -22.1597 -22.1195 -22.1195 -6.4443 -6.4443 -6.4166 -6.4166 -4.9831 -4.9831 -4.9291 -4.9291 5.3628 5.3628 5.3743 5.3743 5.5323 5.5323 5.5678 5.5678 7.4678 7.4678 7.5412 7.5412 8.5368 8.5368 8.5886 8.5886 8.8546 8.8546 8.8874 8.8874 10.2249 10.2249 10.2321 10.2321 12.7915 12.7915 12.8417 12.8417 14.9761 14.9761 15.0155 15.0155 16.2089 16.2089 16.2431 16.2431 16.8634 16.8634 k = 0.5000 0.8685 0.1513 ( 2652 PWs) bands (ev): -48.7434 -48.7434 -48.7433 -48.7433 -24.8180 -24.8180 -24.7844 -24.7844 -22.5695 -22.5695 -22.4805 -22.4805 -22.1601 -22.1601 -22.1191 -22.1191 -6.4522 -6.4522 -6.4255 -6.4255 -4.9715 -4.9715 -4.9162 -4.9162 5.3389 5.3389 5.3504 5.3504 5.5094 5.5094 5.5439 5.5439 7.5111 7.5111 7.5874 7.5874 8.5385 8.5385 8.5851 8.5851 8.8897 8.8897 8.9271 8.9271 10.2043 10.2043 10.2112 10.2112 12.7513 12.7513 12.8006 12.8006 15.0034 15.0034 15.0422 15.0422 16.2057 16.2057 16.2472 16.2472 16.8208 16.8208 k = 0.5000 0.8683 0.1361 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8183 -24.8183 -24.7840 -24.7840 -22.5703 -22.5703 -22.4796 -22.4796 -22.1604 -22.1604 -22.1187 -22.1187 -6.4596 -6.4596 -6.4338 -6.4338 -4.9606 -4.9606 -4.9042 -4.9042 5.3156 5.3156 5.3270 5.3270 5.4896 5.4896 5.5229 5.5229 7.5535 7.5535 7.6326 7.6326 8.5351 8.5351 8.5771 8.5771 8.9261 8.9261 8.9669 8.9669 10.1849 10.1849 10.1916 10.1916 12.7138 12.7138 12.7622 12.7622 15.0286 15.0286 15.0668 15.0668 16.2001 16.2001 16.2495 16.2495 16.7826 16.7826 k = 0.5000 0.8680 0.1209 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8187 -24.8187 -24.7837 -24.7837 -22.5710 -22.5710 -22.4787 -22.4787 -22.1608 -22.1608 -22.1184 -22.1184 -6.4665 -6.4665 -6.4415 -6.4415 -4.9505 -4.9505 -4.8931 -4.8931 5.2934 5.2934 5.3045 5.3045 5.4726 5.4726 5.5046 5.5046 7.5944 7.5944 7.6765 7.6765 8.5281 8.5281 8.5660 8.5660 8.9620 8.9620 9.0052 9.0052 10.1670 10.1670 10.1732 10.1732 12.6792 12.6792 12.7268 12.7268 15.0518 15.0518 15.0893 15.0893 16.1925 16.1925 16.2498 16.2498 16.7489 16.7489 k = 0.5000 0.8677 0.1057 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8190 -24.8190 -24.7835 -24.7835 -22.5717 -22.5717 -22.4779 -22.4779 -22.1610 -22.1610 -22.1181 -22.1181 -6.4727 -6.4727 -6.4485 -6.4485 -4.9413 -4.9413 -4.8830 -4.8830 5.2725 5.2725 5.2833 5.2833 5.4581 5.4581 5.4888 5.4888 7.6336 7.6336 7.7186 7.7186 8.5186 8.5186 8.5528 8.5528 8.9962 8.9962 9.0412 9.0412 10.1506 10.1506 10.1564 10.1564 12.6478 12.6478 12.6944 12.6944 15.0728 15.0728 15.1096 15.1096 16.1834 16.1834 16.2483 16.2483 16.7199 16.7199 k = 0.5000 0.8674 0.0905 ( 2658 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8193 -24.8193 -24.7832 -24.7832 -22.5723 -22.5723 -22.4772 -22.4772 -22.1613 -22.1613 -22.1178 -22.1178 -6.4783 -6.4783 -6.4547 -6.4547 -4.9330 -4.9330 -4.8739 -4.8739 5.2534 5.2534 5.2639 5.2639 5.4458 5.4458 5.4753 5.4753 7.6705 7.6705 7.7586 7.7586 8.5076 8.5076 8.5382 8.5382 9.0279 9.0279 9.0740 9.0740 10.1359 10.1359 10.1412 10.1412 12.6196 12.6196 12.6654 12.6654 15.0915 15.0915 15.1277 15.1277 16.1734 16.1734 16.2452 16.2452 16.6956 16.6956 k = 0.5000 0.8671 0.0753 ( 2656 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8195 -24.8195 -24.7830 -24.7830 -22.5728 -22.5728 -22.4766 -22.4766 -22.1615 -22.1615 -22.1176 -22.1176 -6.4832 -6.4832 -6.4602 -6.4602 -4.9257 -4.9257 -4.8658 -4.8658 5.2363 5.2363 5.2465 5.2465 5.4354 5.4354 5.4640 5.4640 7.7046 7.7046 7.7958 7.7958 8.4960 8.4960 8.5229 8.5229 9.0564 9.0564 9.1032 9.1032 10.1231 10.1231 10.1278 10.1278 12.5948 12.5948 12.6398 12.6398 15.1079 15.1079 15.1435 15.1435 16.1631 16.1631 16.2409 16.2409 16.6757 16.6757 k = 0.5000 0.8669 0.0600 ( 2650 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8196 -24.8196 -24.7828 -24.7828 -22.5732 -22.5732 -22.4761 -22.4761 -22.1617 -22.1617 -22.1174 -22.1174 -6.4874 -6.4874 -6.4648 -6.4648 -4.9194 -4.9194 -4.8590 -4.8590 5.2215 5.2215 5.2315 5.2315 5.4269 5.4269 5.4545 5.4545 7.7352 7.7352 7.8296 7.8296 8.4844 8.4844 8.5077 8.5077 9.0812 9.0812 9.1284 9.1284 10.1121 10.1121 10.1162 10.1162 12.5736 12.5736 12.6179 12.6179 15.1220 15.1220 15.1569 15.1569 16.1531 16.1531 16.2358 16.2358 16.6600 16.6600 k = 0.5000 0.8666 0.0448 ( 2652 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8198 -24.8198 -24.7826 -24.7826 -22.5736 -22.5736 -22.4756 -22.4756 -22.1619 -22.1619 -22.1172 -22.1172 -6.4908 -6.4908 -6.4687 -6.4687 -4.9143 -4.9143 -4.8533 -4.8533 5.2092 5.2092 5.2190 5.2190 5.4201 5.4201 5.4470 5.4470 7.7617 7.7617 7.8591 7.8591 8.4736 8.4736 8.4931 8.4931 9.1019 9.1019 9.1494 9.1494 10.1031 10.1031 10.1065 10.1065 12.5560 12.5560 12.5998 12.5998 15.1335 15.1335 15.1680 15.1680 16.1441 16.1441 16.2306 16.2306 16.6480 16.6480 k = 0.5000 0.8663 0.0296 ( 2650 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8199 -24.8199 -24.7825 -24.7825 -22.5739 -22.5739 -22.4753 -22.4753 -22.1620 -22.1620 -22.1171 -22.1171 -6.4935 -6.4935 -6.4717 -6.4717 -4.9102 -4.9102 -4.8488 -4.8488 5.1994 5.1994 5.2091 5.2091 5.4149 5.4149 5.4411 5.4411 7.7834 7.7834 7.8835 7.8835 8.4645 8.4645 8.4801 8.4801 9.1183 9.1183 9.1658 9.1658 10.0961 10.0961 10.0989 10.0989 12.5423 12.5423 12.5856 12.5856 15.1426 15.1426 15.1766 15.1766 16.1365 16.1365 16.2258 16.2258 16.6392 16.6392 k = 0.5000 0.8660 0.0144 ( 2652 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8200 -24.8200 -24.7824 -24.7824 -22.5741 -22.5741 -22.4751 -22.4751 -22.1621 -22.1621 -22.1170 -22.1170 -6.4954 -6.4954 -6.4739 -6.4739 -4.9073 -4.9073 -4.8456 -4.8456 5.1924 5.1924 5.2020 5.2020 5.4112 5.4112 5.4370 5.4370 7.7995 7.7995 7.9019 7.9019 8.4578 8.4578 8.4696 8.4696 9.1302 9.1302 9.1777 9.1777 10.0912 10.0912 10.0933 10.0933 12.5324 12.5324 12.5754 12.5754 15.1491 15.1491 15.1828 15.1828 16.1307 16.1307 16.2220 16.2220 16.6333 16.6333 k = 0.5000 0.8657-0.0008 ( 2654 PWs) bands (ev): -48.7434 -48.7434 -48.7434 -48.7434 -24.8201 -24.8201 -24.7824 -24.7824 -22.5742 -22.5742 -22.4749 -22.4749 -22.1621 -22.1621 -22.1169 -22.1169 -6.4966 -6.4966 -6.4752 -6.4752 -4.9055 -4.9055 -4.8437 -4.8437 5.1881 5.1881 5.1977 5.1977 5.4089 5.4089 5.4346 5.4346 7.8095 7.8095 7.9133 7.9133 8.4538 8.4538 8.4625 8.4625 9.1374 9.1374 9.1848 9.1848 10.0883 10.0883 10.0899 10.0899 12.5265 12.5265 12.5692 12.5692 15.1530 15.1530 15.1865 15.1865 16.1272 16.1272 16.2195 16.2195 16.6298 16.6298 k = 0.5000 0.8654-0.0160 ( 2652 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8201 -24.8201 -24.7824 -24.7824 -22.5742 -22.5742 -22.4749 -22.4749 -22.1621 -22.1621 -22.1169 -22.1169 -6.4970 -6.4970 -6.4756 -6.4756 -4.9049 -4.9049 -4.8430 -4.8430 5.1867 5.1867 5.1962 5.1962 5.4082 5.4082 5.4338 5.4338 7.8129 7.8129 7.9172 7.9172 8.4526 8.4526 8.4599 8.4599 9.1398 9.1398 9.1872 9.1872 10.0873 10.0873 10.0887 10.0887 12.5245 12.5245 12.5672 12.5672 15.1543 15.1543 15.1878 15.1878 16.1260 16.1260 16.2187 16.2187 16.6287 16.6287 k = 0.5000 0.8654-0.0160 ( 2652 PWs) bands (ev): -48.7433 -48.7433 -48.7433 -48.7433 -24.8201 -24.8201 -24.7824 -24.7824 -22.5742 -22.5742 -22.4749 -22.4749 -22.1621 -22.1621 -22.1169 -22.1169 -6.4970 -6.4970 -6.4756 -6.4756 -4.9049 -4.9049 -4.8430 -4.8430 5.1867 5.1867 5.1962 5.1962 5.4082 5.4082 5.4338 5.4338 7.8129 7.8129 7.9172 7.9172 8.4526 8.4526 8.4599 8.4599 9.1398 9.1398 9.1872 9.1872 10.0873 10.0873 10.0887 10.0887 12.5245 12.5245 12.5672 12.5672 15.1543 15.1543 15.1878 15.1878 16.1260 16.1260 16.2187 16.2187 16.6287 16.6287 k = 0.4848 0.8654-0.0160 ( 2650 PWs) bands (ev): -48.7434 -48.7434 -48.7432 -48.7432 -24.8209 -24.8193 -24.7832 -24.7815 -22.5752 -22.5732 -22.4758 -22.4740 -22.1638 -22.1604 -22.1184 -22.1154 -6.4979 -6.4953 -6.4765 -6.4740 -4.9063 -4.9047 -4.8446 -4.8427 5.1838 5.1916 5.1933 5.2013 5.4034 5.4160 5.4289 5.4415 7.7875 7.8338 7.8886 7.9406 8.4479 8.4524 8.4585 8.4693 9.1349 9.1416 9.1834 9.1874 10.0795 10.0797 10.0910 10.0936 12.5114 12.5447 12.5529 12.5886 15.1375 15.1702 15.1720 15.2025 16.1239 16.1310 16.2146 16.2249 16.6229 16.6361 k = 0.4697 0.8654-0.0160 ( 2648 PWs) bands (ev): -48.7436 -48.7436 -48.7430 -48.7430 -24.8216 -24.8184 -24.7841 -24.7808 -22.5760 -22.5721 -22.4769 -22.4732 -22.1653 -22.1587 -22.1200 -22.1140 -6.4980 -6.4927 -6.4766 -6.4717 -4.9089 -4.9056 -4.8475 -4.8438 5.1828 5.1924 5.1986 5.2084 5.4014 5.4267 5.4269 5.4522 7.7584 7.8495 7.8560 7.9579 8.4450 8.4479 8.4646 8.4792 9.1267 9.1407 9.1757 9.1843 10.0665 10.0678 10.0906 10.0943 12.5058 12.5460 12.5717 12.6169 15.1197 15.1553 15.1851 15.2163 16.1248 16.1390 16.2126 16.2331 16.6187 16.6449 k = 0.4545 0.8654-0.0160 ( 2648 PWs) bands (ev): -48.7437 -48.7437 -48.7429 -48.7429 -24.8223 -24.8175 -24.7850 -24.7800 -22.5767 -22.5708 -22.4781 -22.4726 -22.1669 -22.1569 -22.1216 -22.1126 -6.4973 -6.4894 -6.4759 -6.4686 -4.9126 -4.9077 -4.8516 -4.8461 5.1837 5.1934 5.2075 5.2176 5.4023 5.4277 5.4403 5.4657 7.7262 7.8203 7.8597 7.9682 8.4446 8.4473 8.4700 8.4885 9.1151 9.1373 9.1639 9.1783 10.0497 10.0523 10.0863 10.0909 12.5076 12.5466 12.6052 12.6516 15.1010 15.1377 15.1990 15.2291 16.1285 16.1497 16.2124 16.2432 16.6167 16.6552 k = 0.4394 0.8654-0.0160 ( 2646 PWs) bands (ev): -48.7438 -48.7438 -48.7427 -48.7427 -24.8229 -24.8166 -24.7860 -24.7793 -22.5772 -22.5695 -22.4794 -22.4720 -22.1683 -22.1551 -22.1233 -22.1113 -6.4957 -6.4852 -6.4745 -6.4648 -4.9175 -4.9109 -4.8570 -4.8496 5.1866 5.1964 5.2184 5.2288 5.4061 5.4314 5.4569 5.4823 7.6917 7.7824 7.8640 7.9711 8.4466 8.4511 8.4738 8.4961 9.1001 9.1319 9.1480 9.1698 10.0295 10.0335 10.0784 10.0836 12.5167 12.5546 12.6446 12.6921 15.0815 15.1192 15.2118 15.2410 16.1347 16.1629 16.2137 16.2549 16.6172 16.6670 k = 0.4242 0.8654-0.0160 ( 2650 PWs) bands (ev): -48.7441 -48.7441 -48.7426 -48.7426 -24.8234 -24.8156 -24.7870 -24.7787 -22.5777 -22.5680 -22.4809 -22.4716 -22.1697 -22.1533 -22.1250 -22.1101 -6.4934 -6.4803 -6.4724 -6.4602 -4.9234 -4.9152 -4.8636 -4.8545 5.1912 5.2013 5.2312 5.2419 5.4127 5.4379 5.4765 5.5017 7.6554 7.7427 7.8624 7.9668 8.4508 8.4588 8.4754 8.5009 9.0817 9.1246 9.1280 9.1593 10.0065 10.0118 10.0672 10.0729 12.5330 12.5698 12.6894 12.7380 15.0613 15.1000 15.2237 15.2519 16.1429 16.1782 16.2159 16.2677 16.6207 16.6804 k = 0.4091 0.8654-0.0160 ( 2652 PWs) bands (ev): -48.7443 -48.7443 -48.7424 -48.7424 -24.8240 -24.8146 -24.7880 -24.7781 -22.5781 -22.5665 -22.4824 -22.4714 -22.1711 -22.1515 -22.1267 -22.1090 -6.4903 -6.4747 -6.4696 -6.4550 -4.9304 -4.9206 -4.8715 -4.8605 5.1975 5.2080 5.2458 5.2570 5.4223 5.4473 5.4990 5.5240 7.6178 7.7020 7.8555 7.9559 8.4560 8.4694 8.4745 8.5023 9.0602 9.1040 9.1159 9.1473 9.9813 9.9879 10.0534 10.0593 12.5562 12.5919 12.7391 12.7887 15.0403 15.0800 15.2345 15.2620 16.1528 16.1953 16.2184 16.2812 16.6278 16.6959 k = 0.3939 0.8654-0.0160 ( 2652 PWs) bands (ev): -48.7444 -48.7444 -48.7423 -48.7423 -24.8244 -24.8136 -24.7890 -24.7776 -22.5783 -22.5648 -22.4840 -22.4712 -22.1723 -22.1496 -22.1285 -22.1079 -6.4865 -6.4682 -6.4661 -6.4490 -4.9384 -4.9270 -4.8804 -4.8676 5.2056 5.2164 5.2621 5.2737 5.4348 5.4595 5.5245 5.5492 7.5794 7.6606 7.8437 7.9396 8.4589 8.4729 8.4812 8.5001 9.0357 9.0763 9.1056 9.1338 9.9546 9.9623 10.0375 10.0434 12.5859 12.6207 12.7929 12.8436 15.0187 15.0593 15.2444 15.2712 16.1635 16.2136 16.2203 16.2951 16.6391 16.7135 k = 0.3788 0.8654-0.0160 ( 2654 PWs) bands (ev): -48.7445 -48.7445 -48.7422 -48.7422 -24.8248 -24.8125 -24.7901 -24.7771 -22.5784 -22.5631 -22.4857 -22.4712 -22.1735 -22.1477 -22.1303 -22.1068 -6.4819 -6.4619 -6.4611 -6.4425 -4.9474 -4.9344 -4.8904 -4.8759 5.2153 5.2264 5.2799 5.2918 5.4504 5.4747 5.5527 5.5772 7.5405 7.6190 7.8279 7.9188 8.4533 8.4753 8.4869 8.4995 9.0089 9.0454 9.0938 9.1189 9.9272 9.9359 10.0202 10.0259 12.6215 12.6554 12.8504 12.9021 14.9965 15.0381 15.2534 15.2796 16.1742 16.2212 16.2327 16.3087 16.6551 16.7338 k = 0.3636 0.8654-0.0160 ( 2656 PWs) bands (ev): -48.7447 -48.7447 -48.7421 -48.7421 -24.8252 -24.8114 -24.7912 -24.7767 -22.5784 -22.5613 -22.4875 -22.4712 -22.1746 -22.1458 -22.1321 -22.1059 -6.4766 -6.4570 -6.4533 -6.4353 -4.9573 -4.9427 -4.9015 -4.8853 5.2265 5.2380 5.2991 5.3112 5.4691 5.4929 5.5838 5.6079 7.5016 7.5774 7.8086 7.8945 8.4405 8.4768 8.4790 8.5085 8.9802 9.0119 9.0800 9.1024 9.8999 9.9095 10.0023 10.0075 12.6625 12.6958 12.9111 12.9636 14.9739 15.0163 15.2615 15.2873 16.1841 16.2203 16.2520 16.3215 16.6761 16.7570 k = 0.3485 0.8654-0.0160 ( 2662 PWs) bands (ev): -48.7449 -48.7449 -48.7421 -48.7421 -24.8255 -24.8102 -24.7923 -24.7763 -22.5782 -22.5595 -22.4894 -22.4715 -22.1756 -22.1439 -22.1340 -22.1050 -6.4707 -6.4516 -6.4449 -6.4275 -4.9680 -4.9519 -4.9134 -4.8956 5.2392 5.2512 5.3194 5.3316 5.4912 5.5142 5.6174 5.6412 7.4628 7.5361 7.7866 7.8676 8.4228 8.4599 8.4801 8.5167 8.9505 8.9765 9.0637 9.0837 9.8737 9.8839 9.9844 9.9890 12.7084 12.7411 12.9742 13.0277 14.9509 14.9942 15.2686 15.2942 16.1924 16.2174 16.2711 16.3332 16.7024 16.7834 k = 0.3333 0.8654-0.0160 ( 2664 PWs) bands (ev): -48.7451 -48.7451 -48.7419 -48.7419 -24.8257 -24.8091 -24.7934 -24.7760 -22.5780 -22.5575 -22.4914 -22.4718 -22.1766 -22.1420 -22.1358 -22.1042 -6.4642 -6.4456 -6.4359 -6.4191 -4.9794 -4.9619 -4.9263 -4.9068 5.2534 5.2658 5.3406 5.3528 5.5166 5.5386 5.6536 5.6770 7.4245 7.4954 7.7625 7.8387 8.4011 8.4382 8.4770 8.5207 8.9204 8.9402 9.0441 9.0621 9.8494 9.8602 9.9672 9.9712 12.7585 12.7907 13.0395 13.0937 14.9275 14.9717 15.2749 15.3005 16.1984 16.2123 16.2893 16.3432 16.7340 16.8132 k = 0.3182 0.8654-0.0160 ( 2666 PWs) bands (ev): -48.7453 -48.7453 -48.7418 -48.7418 -24.8259 -24.8079 -24.7946 -24.7758 -22.5776 -22.5555 -22.4934 -22.4722 -22.1774 -22.1401 -22.1377 -22.1035 -6.4570 -6.4391 -6.4263 -6.4103 -4.9916 -4.9726 -4.9399 -4.9189 5.2689 5.2817 5.3624 5.3744 5.5455 5.5661 5.6920 5.7150 7.3871 7.4555 7.7367 7.8084 8.3757 8.4125 8.4682 8.5188 8.8908 8.9041 9.0205 9.0369 9.8279 9.8390 9.9515 9.9547 12.8123 12.8443 13.1063 13.1613 14.9039 14.9490 15.2804 15.3060 16.2015 16.2051 16.3061 16.3512 16.7708 16.8443 k = 0.3030 0.8654-0.0160 ( 2666 PWs) bands (ev): -48.7454 -48.7454 -48.7416 -48.7416 -24.8260 -24.8067 -24.7957 -24.7755 -22.5771 -22.5534 -22.4955 -22.4728 -22.1781 -22.1396 -22.1382 -22.1029 -6.4494 -6.4321 -6.4162 -6.4010 -5.0043 -4.9839 -4.9543 -4.9317 5.2857 5.2990 5.3848 5.3963 5.5777 5.5969 5.7325 5.7551 7.3506 7.4167 7.7096 7.7769 8.3473 8.3832 8.4528 8.5095 8.8624 8.8695 8.9923 9.0073 9.8098 9.8211 9.9378 9.9402 12.8693 12.9010 13.1742 13.2299 14.8801 14.9261 15.2850 15.3109 16.1960 16.2017 16.3210 16.3571 16.8124 16.8801 k = 0.2879 0.8654-0.0160 ( 2668 PWs) bands (ev): -48.7456 -48.7456 -48.7415 -48.7415 -24.8261 -24.8055 -24.7968 -24.7754 -22.5765 -22.5512 -22.4977 -22.4735 -22.1788 -22.1415 -22.1363 -22.1023 -6.4412 -6.4247 -6.4057 -6.3913 -5.0176 -4.9957 -4.9692 -4.9452 5.3036 5.3174 5.4074 5.4185 5.6133 5.6308 5.7748 5.7970 7.3156 7.3793 7.6815 7.7446 8.3164 8.3511 8.4305 8.4920 8.8354 8.8372 8.9589 8.9726 9.7955 9.8070 9.9264 9.9280 12.9287 12.9604 13.2429 13.2991 14.8562 14.9031 15.2888 15.3151 16.1851 16.1988 16.3335 16.3607 16.8586 16.9209 k = 0.2727 0.8654-0.0160 ( 2666 PWs) bands (ev): -48.7457 -48.7457 -48.7414 -48.7414 -24.8261 -24.8043 -24.7980 -24.7753 -22.5757 -22.5490 -22.4999 -22.4743 -22.1793 -22.1433 -22.1344 -22.1018 -6.4327 -6.4169 -6.3949 -6.3812 -5.0312 -5.0079 -4.9847 -4.9591 5.3227 5.3369 5.4302 5.4408 5.6520 5.6678 5.8185 5.8404 7.2822 7.3435 7.6526 7.7116 8.2836 8.3169 8.4013 8.4660 8.8078 8.8098 8.9201 8.9327 9.7854 9.7968 9.9179 9.9186 12.9902 13.0219 13.3118 13.3685 14.8323 14.8801 15.2917 15.3185 16.1729 16.1931 16.3433 16.3621 16.9087 16.9638 k = 0.2576 0.8654-0.0160 ( 2668 PWs) bands (ev): -48.7459 -48.7459 -48.7413 -48.7412 -24.8260 -24.8031 -24.7992 -24.7753 -22.5748 -22.5467 -22.5023 -22.4752 -22.1798 -22.1452 -22.1326 -22.1014 -6.4238 -6.4088 -6.3837 -6.3709 -5.0451 -5.0205 -5.0005 -4.9736 5.3427 5.3574 5.4531 5.4630 5.6937 5.7077 5.8634 5.8850 7.2509 7.3097 7.6230 7.6781 8.2495 8.2810 8.3660 8.4319 8.7810 8.7850 8.8761 8.8874 9.7792 9.7904 9.9121 9.9122 13.0531 13.0850 13.3807 13.4377 14.8085 14.8571 15.2938 15.3212 16.1595 16.1849 16.3502 16.3613 16.9622 17.0020 k = 0.2424 0.8654-0.0160 ( 2672 PWs) bands (ev): -48.7460 -48.7460 -48.7412 -48.7412 -24.8260 -24.8018 -24.8003 -24.7753 -22.5739 -22.5444 -22.5046 -22.4762 -22.1802 -22.1471 -22.1308 -22.1011 -6.4147 -6.4005 -6.3724 -6.3604 -5.0592 -5.0332 -5.0166 -4.9883 5.3637 5.3787 5.4758 5.4852 5.7382 5.7503 5.9089 5.9303 7.2220 7.2782 7.5928 7.6441 8.2144 8.2443 8.3256 8.3913 8.7561 8.7601 8.8278 8.8370 9.7766 9.7877 9.9087 9.9095 13.1170 13.1491 13.4491 13.5062 14.7848 14.8343 15.2950 15.3231 16.1453 16.1745 16.3542 16.3585 17.0180 17.0394 k = 0.2273 0.8654-0.0160 ( 2672 PWs) bands (ev): -48.7461 -48.7461 -48.7411 -48.7411 -24.8258 -24.8015 -24.8006 -24.7754 -22.5728 -22.5421 -22.5070 -22.4773 -22.1804 -22.1490 -22.1290 -22.1009 -6.4053 -6.3920 -6.3608 -6.3498 -5.0734 -5.0460 -5.0328 -5.0032 5.3854 5.4007 5.4984 5.5073 5.7853 5.7956 5.9546 5.9758 7.1960 7.2495 7.5620 7.6094 8.1790 8.2071 8.2815 8.3456 8.7321 8.7328 8.7773 8.7822 9.7772 9.7880 9.9081 9.9096 13.1812 13.2138 13.5166 13.5738 14.7614 14.8116 15.2954 15.3241 16.1305 16.1624 16.3539 16.3553 17.0747 17.0789 k = 0.2121 0.8654-0.0160 ( 2668 PWs) bands (ev): -48.7462 -48.7462 -48.7410 -48.7410 -24.8256 -24.8027 -24.7993 -24.7755 -22.5716 -22.5397 -22.5094 -22.4786 -22.1805 -22.1508 -22.1272 -22.1007 -6.3959 -6.3834 -6.3493 -6.3391 -5.0874 -5.0588 -5.0490 -5.0182 5.4077 5.4233 5.5207 5.5291 5.8347 5.8431 5.9998 6.0210 7.1735 7.2240 7.5304 7.5742 8.1436 8.1699 8.2350 8.2966 8.6949 8.7064 8.7253 8.7331 9.7805 9.7908 9.9103 9.9123 13.2455 13.2784 13.5830 13.6400 14.7384 14.7892 15.2949 15.3243 16.1154 16.1489 16.3477 16.3537 17.1210 17.1308 k = 0.1970 0.8654-0.0160 ( 2664 PWs) bands (ev): -48.7463 -48.7463 -48.7408 -48.7408 -24.8253 -24.8038 -24.7981 -24.7757 -22.5702 -22.5372 -22.5119 -22.4799 -22.1806 -22.1526 -22.1254 -22.1006 -6.3864 -6.3749 -6.3378 -6.3285 -5.1013 -5.0715 -5.0652 -5.0332 5.4305 5.4463 5.5426 5.5505 5.8861 5.8928 6.0439 6.0651 7.1551 7.2024 7.4980 7.5381 8.1086 8.1332 8.1872 8.2457 8.6402 8.6567 8.6890 8.7018 9.7859 9.7957 9.9147 9.9173 13.3091 13.3425 13.6479 13.7043 14.7157 14.7670 15.2936 15.3236 16.1002 16.1344 16.3402 16.3497 17.1655 17.1858 k = 0.1818 0.8654-0.0160 ( 2664 PWs) bands (ev): -48.7463 -48.7463 -48.7407 -48.7407 -24.8249 -24.8049 -24.7968 -24.7760 -22.5688 -22.5348 -22.5144 -22.4813 -22.1805 -22.1544 -22.1237 -22.1006 -6.3771 -6.3664 -6.3265 -6.3180 -5.1148 -5.0838 -5.0810 -5.0479 5.4535 5.4694 5.5639 5.5715 5.9394 5.9444 6.0860 6.1074 7.1414 7.1854 7.4646 7.5010 8.0742 8.0974 8.1395 8.1944 8.5775 8.5919 8.6647 8.6755 9.7927 9.8020 9.9211 9.9240 13.3718 13.4055 13.7109 13.7665 14.6937 14.7453 15.2915 15.3220 16.0852 16.1192 16.3316 16.3436 17.2120 17.2401 k = 0.1667 0.8654-0.0160 ( 2664 PWs) bands (ev): -48.7464 -48.7464 -48.7406 -48.7406 -24.8246 -24.8061 -24.7956 -24.7763 -22.5673 -22.5323 -22.5169 -22.4829 -22.1804 -22.1562 -22.1220 -22.1007 -6.3679 -6.3581 -6.3154 -6.3078 -5.1279 -5.0965 -5.0957 -5.0624 5.4766 5.4924 5.5846 5.5918 5.9941 5.9974 6.1254 6.1471 7.1331 7.1736 7.4300 7.4628 8.0407 8.0628 8.0930 8.1438 8.5113 8.5242 8.6413 8.6506 9.8006 9.8094 9.9289 9.9321 13.4329 13.4669 13.7717 13.8261 14.6723 14.7239 15.2887 15.3195 16.0706 16.1037 16.3221 16.3357 17.2604 17.2942 k = 0.1515 0.8654-0.0160 ( 2656 PWs) bands (ev): -48.7464 -48.7464 -48.7404 -48.7404 -24.8241 -24.8072 -24.7943 -24.7766 -22.5656 -22.5297 -22.5195 -22.4845 -22.1801 -22.1579 -22.1204 -22.1009 -6.3589 -6.3501 -6.3047 -6.2979 -5.1403 -5.1115 -5.1070 -5.0763 5.4995 5.5150 5.6044 5.6113 6.0500 6.0517 6.1612 6.1833 7.1310 7.1678 7.3941 7.4233 8.0080 8.0295 8.0489 8.0949 8.4432 8.4550 8.6182 8.6264 9.8091 9.8172 9.9378 9.9412 13.4920 13.5261 13.8298 13.8826 14.6518 14.7030 15.2852 15.3160 16.0566 16.0882 16.3120 16.3265 17.3104 17.3483 k = 0.1364 0.8654-0.0160 ( 2656 PWs) bands (ev): -48.7464 -48.7464 -48.7404 -48.7404 -24.8236 -24.8083 -24.7931 -24.7771 -22.5639 -22.5272 -22.5220 -22.4862 -22.1798 -22.1596 -22.1188 -22.1011 -6.3504 -6.3425 -6.2946 -6.2886 -5.1520 -5.1257 -5.1176 -5.0896 5.5219 5.5370 5.6233 5.6299 6.1067 6.1067 6.1928 6.2152 7.1355 7.1686 7.3567 7.3824 7.9761 7.9976 8.0085 8.0486 8.3745 8.3852 8.5958 8.6030 9.8178 9.8253 9.9473 9.9507 13.5485 13.5825 13.8850 13.9356 14.6323 14.6826 15.2812 15.3116 16.0435 16.0730 16.3016 16.3163 17.3616 17.4024 k = 0.1212 0.8654-0.0160 ( 2662 PWs) bands (ev): -48.7466 -48.7466 -48.7404 -48.7404 -24.8231 -24.8094 -24.7919 -24.7776 -22.5621 -22.5247 -22.5246 -22.4880 -22.1794 -22.1612 -22.1173 -22.1015 -6.3424 -6.3354 -6.2850 -6.2798 -5.1627 -5.1392 -5.1273 -5.1022 5.5436 5.5579 5.6411 5.6474 6.1618 6.1636 6.2197 6.2424 7.1467 7.1764 7.3182 7.3402 7.9447 7.9671 7.9726 8.0057 8.3061 8.3159 8.5744 8.5808 9.8264 9.8332 9.9570 9.9603 13.6021 13.6354 13.9367 13.9845 14.6140 14.6628 15.2768 15.3064 16.0313 16.0584 16.2913 16.3055 17.4138 17.4563 k = 0.1061 0.8654-0.0160 ( 2664 PWs) bands (ev): -48.7466 -48.7466 -48.7404 -48.7404 -24.8226 -24.8105 -24.7908 -24.7781 -22.5602 -22.5272 -22.5222 -22.4899 -22.1788 -22.1629 -22.1158 -22.1019 -6.3349 -6.3288 -6.2762 -6.2718 -5.1724 -5.1516 -5.1361 -5.1139 5.5641 5.5774 5.6575 5.6635 6.2160 6.2200 6.2417 6.2651 7.1640 7.1912 7.2794 7.2969 7.9142 7.9377 7.9412 7.9672 8.2394 8.2481 8.5544 8.5600 9.8347 9.8406 9.9665 9.9697 13.6520 13.6842 13.9846 14.0290 14.5972 14.6437 15.2724 15.3006 16.0204 16.0447 16.2813 16.2946 17.4667 17.5100 k = 0.0909 0.8654-0.0160 ( 2668 PWs) bands (ev): -48.7467 -48.7467 -48.7405 -48.7405 -24.8220 -24.8116 -24.7896 -24.7787 -22.5582 -22.5298 -22.5197 -22.4919 -22.1782 -22.1645 -22.1144 -22.1024 -6.3282 -6.3230 -6.2682 -6.2645 -5.1809 -5.1630 -5.1437 -5.1245 5.5832 5.5952 5.6725 5.6781 6.2583 6.2639 6.2759 6.2877 7.1829 7.2118 7.2446 7.2538 7.8857 7.9085 7.9136 7.9336 8.1758 8.1835 8.5362 8.5411 9.8423 9.8474 9.9755 9.9784 13.6978 13.7281 14.0281 14.0684 14.5822 14.6255 15.2681 15.2942 16.0109 16.0321 16.2720 16.2840 17.5200 17.5629 k = 0.0758 0.8654-0.0160 ( 2668 PWs) bands (ev): -48.7467 -48.7467 -48.7405 -48.7405 -24.8213 -24.8126 -24.7885 -24.7794 -22.5562 -22.5324 -22.5172 -22.4939 -22.1775 -22.1660 -22.1130 -22.1030 -6.3222 -6.3179 -6.2613 -6.2582 -5.1881 -5.1731 -5.1502 -5.1341 5.6003 5.6108 5.6859 5.6910 6.2715 6.2861 6.3288 6.3289 7.1787 7.2061 7.2386 7.2428 7.8596 7.8792 7.8888 7.9053 8.1174 8.1241 8.5202 8.5243 9.8491 9.8534 9.9837 9.9862 13.7388 13.7664 14.0668 14.1022 14.5693 14.6083 15.2642 15.2876 16.0028 16.0207 16.2636 16.2740 17.5729 17.6144 k = 0.0606 0.8654-0.0160 ( 2666 PWs) bands (ev): -48.7466 -48.7466 -48.7404 -48.7404 -24.8206 -24.8137 -24.7874 -24.7801 -22.5540 -22.5350 -22.5147 -22.4961 -22.1767 -22.1675 -22.1117 -22.1037 -6.3171 -6.3137 -6.2553 -6.2530 -5.1939 -5.1818 -5.1553 -5.1423 5.6152 5.6238 5.6975 5.7019 6.2809 6.2949 6.3759 6.3779 7.1467 7.1652 7.2655 7.2725 7.8352 7.8496 7.8670 7.8816 8.0668 8.0723 8.5067 8.5100 9.8549 9.8584 9.9908 9.9929 13.7744 13.7984 14.1003 14.1299 14.5591 14.5925 15.2611 15.2810 15.9964 16.0109 16.2565 16.2651 17.6248 17.6636 k = 0.0455 0.8654-0.0160 ( 2662 PWs) bands (ev): -48.7466 -48.7466 -48.7404 -48.7404 -24.8199 -24.8146 -24.7863 -24.7808 -22.5518 -22.5375 -22.5123 -22.4982 -22.1758 -22.1688 -22.1104 -22.1044 -6.3130 -6.3105 -6.2506 -6.2488 -5.1982 -5.1890 -5.1590 -5.1492 5.6274 5.6340 5.7069 5.7106 6.2876 6.2991 6.4185 6.4211 7.1133 7.1269 7.2984 7.3043 7.8111 7.8203 7.8495 7.8622 8.0265 8.0307 8.4960 8.4985 9.8597 9.8623 9.9966 9.9982 13.8040 13.8232 14.1280 14.1510 14.5518 14.5784 15.2591 15.2747 15.9917 16.0027 16.2509 16.2575 17.6742 17.7083 k = 0.0303 0.8654-0.0160 ( 2658 PWs) bands (ev): -48.7466 -48.7466 -48.7403 -48.7403 -24.8191 -24.8156 -24.7853 -24.7816 -22.5495 -22.5399 -22.5098 -22.5004 -22.1748 -22.1702 -22.1092 -22.1052 -6.3099 -6.3082 -6.2470 -6.2459 -5.2008 -5.1947 -5.1612 -5.1547 5.6367 5.6412 5.7142 5.7167 6.2924 6.3005 6.4531 6.4555 7.0856 7.0949 7.3293 7.3333 7.7879 7.7932 7.8378 7.8473 7.9981 8.0009 8.4883 8.4900 9.8632 9.8650 10.0009 10.0020 13.8268 13.8403 14.1493 14.1652 14.5478 14.5663 15.2583 15.2691 15.9889 15.9962 16.2471 16.2515 17.7185 17.7452 k = 0.0152 0.8654-0.0160 ( 2658 PWs) bands (ev): -48.7466 -48.7466 -48.7403 -48.7403 -24.8182 -24.8165 -24.7843 -24.7825 -22.5472 -22.5424 -22.5074 -22.5027 -22.1737 -22.1714 -22.1081 -22.1061 -6.3079 -6.3070 -6.2448 -6.2442 -5.2018 -5.1988 -5.1619 -5.1586 5.6428 5.6451 5.7189 5.7202 6.2959 6.3001 6.4763 6.4777 7.0678 7.0726 7.3520 7.3540 7.7701 7.7725 7.8321 7.8371 7.9818 7.9832 8.4838 8.4846 9.8656 9.8665 10.0037 10.0042 13.8423 13.8492 14.1640 14.1721 14.5473 14.5568 15.2589 15.2644 15.9879 15.9915 16.2452 16.2474 17.7531 17.7684 k = 0.0000 0.8654-0.0160 ( 2650 PWs) bands (ev): -48.7465 -48.7465 -48.7402 -48.7402 -24.8173 -24.8173 -24.7833 -24.7833 -22.5448 -22.5448 -22.5050 -22.5050 -22.1726 -22.1726 -22.1070 -22.1070 -6.3069 -6.3069 -6.2438 -6.2438 -5.2012 -5.2012 -5.1611 -5.1611 5.6456 5.6456 5.7209 5.7209 6.2985 6.2985 6.4850 6.4850 7.0632 7.0632 7.3611 7.3611 7.7640 7.7640 7.8320 7.8320 7.9769 7.9769 8.4825 8.4825 9.8667 9.8667 10.0048 10.0048 13.8499 13.8499 14.1717 14.1717 14.5504 14.5504 15.2609 15.2609 15.9888 15.9888 16.2453 16.2453 17.7715 17.7715 k = 0.0000 0.8654-0.0160 ( 2650 PWs) bands (ev): -48.7465 -48.7465 -48.7402 -48.7402 -24.8173 -24.8173 -24.7833 -24.7833 -22.5448 -22.5448 -22.5050 -22.5050 -22.1726 -22.1726 -22.1070 -22.1070 -6.3069 -6.3069 -6.2438 -6.2438 -5.2012 -5.2012 -5.1611 -5.1611 5.6456 5.6456 5.7209 5.7209 6.2985 6.2985 6.4850 6.4850 7.0632 7.0632 7.3611 7.3611 7.7640 7.7640 7.8320 7.8320 7.9769 7.9769 8.4825 8.4825 9.8667 9.8667 10.0048 10.0048 13.8499 13.8499 14.1717 14.1717 14.5504 14.5504 15.2609 15.2609 15.9888 15.9888 16.2453 16.2453 17.7715 17.7715 k = 0.0000 0.8657-0.0008 ( 2652 PWs) bands (ev): -48.7465 -48.7465 -48.7402 -48.7402 -24.8181 -24.8166 -24.7841 -24.7826 -22.5452 -22.5447 -22.5049 -22.5048 -22.1736 -22.1716 -22.1080 -22.1061 -6.3085 -6.3065 -6.2457 -6.2434 -5.2016 -5.1991 -5.1615 -5.1587 5.6382 5.6493 5.7133 5.7257 6.2923 6.2962 6.4816 6.4875 7.0607 7.0624 7.3592 7.3623 7.7635 7.7714 7.8243 7.8391 7.9818 7.9919 8.4833 8.4853 9.8652 9.8662 10.0041 10.0046 13.8407 13.8495 14.1636 14.1770 14.5445 14.5560 15.2591 15.2644 15.9876 15.9919 16.2449 16.2477 17.7486 17.7685 k = 0.0000 0.8660 0.0144 ( 2649 PWs) bands (ev): -48.7465 -48.7465 -48.7401 -48.7401 -24.8188 -24.8158 -24.7850 -24.7818 -22.5458 -22.5448 -22.5046 -22.5043 -22.1745 -22.1704 -22.1090 -22.1053 -6.3112 -6.3074 -6.2488 -6.2443 -5.2005 -5.1954 -5.1602 -5.1546 5.6274 5.6489 5.7034 5.7272 6.2783 6.2855 6.4771 6.4881 7.0556 7.0587 7.3567 7.3629 7.7708 7.7850 7.8204 7.8439 8.0064 8.0226 8.4875 8.4914 9.8617 9.8636 10.0026 10.0037 13.8227 13.8393 14.1530 14.1788 14.5388 14.5612 15.2590 15.2694 15.9883 15.9969 16.2466 16.2521 17.7082 17.7416 k = 0.0000 0.8663 0.0296 ( 2655 PWs) bands (ev): -48.7466 -48.7466 -48.7402 -48.7402 -24.8196 -24.8150 -24.7858 -24.7811 -22.5467 -22.5452 -22.5040 -22.5037 -22.1754 -22.1693 -22.1101 -22.1046 -6.3151 -6.3094 -6.2533 -6.2467 -5.1978 -5.1903 -5.1570 -5.1488 5.6137 5.6439 5.6918 5.7252 6.2575 6.2670 6.4708 6.4855 7.0489 7.0531 7.3542 7.3634 7.7864 7.8020 7.8255 7.8486 8.0464 8.0648 8.4950 8.5009 9.8563 9.8591 10.0003 10.0019 13.7967 13.8196 14.1394 14.1758 14.5342 14.5663 15.2606 15.2755 15.9910 16.0037 16.2503 16.2583 17.6588 17.7004 k = 0.0000 0.8666 0.0448 ( 2653 PWs) bands (ev): -48.7465 -48.7465 -48.7402 -48.7402 -24.8202 -24.8142 -24.7866 -24.7804 -22.5478 -22.5458 -22.5031 -22.5027 -22.1762 -22.1681 -22.1112 -22.1038 -6.3200 -6.3126 -6.2590 -6.2503 -5.1935 -5.1838 -5.1520 -5.1413 5.5975 5.6340 5.6792 5.7199 6.2310 6.2421 6.4614 6.4783 7.0419 7.0471 7.3527 7.3650 7.8104 7.8163 7.8461 7.8558 8.0967 8.1155 8.5057 8.5136 9.8489 9.8527 9.9974 9.9995 13.7638 13.7913 14.1219 14.1667 14.5315 14.5719 15.2636 15.2824 15.9956 16.0122 16.2557 16.2662 17.6052 17.6517 k = 0.0000 0.8669 0.0600 ( 2657 PWs) bands (ev): -48.7465 -48.7465 -48.7403 -48.7403 -24.8209 -24.8135 -24.7875 -24.7798 -22.5490 -22.5467 -22.5021 -22.5016 -22.1770 -22.1669 -22.1124 -22.1032 -6.3259 -6.3169 -6.2658 -6.2553 -5.1878 -5.1759 -5.1454 -5.1323 5.5791 5.6196 5.6657 5.7112 6.1997 6.2119 6.4475 6.4652 7.0360 7.0431 7.3528 7.3684 7.8297 7.8422 7.8658 7.8804 8.1539 8.1724 8.5194 8.5295 9.8399 9.8447 9.9938 9.9964 13.7249 13.7554 14.0996 14.1508 14.5317 14.5785 15.2677 15.2896 16.0019 16.0223 16.2626 16.2754 17.5494 17.5994 k = 0.0000 0.8671 0.0753 ( 2657 PWs) bands (ev): -48.7465 -48.7465 -48.7404 -48.7404 -24.8215 -24.8127 -24.7883 -24.7792 -22.5504 -22.5477 -22.5009 -22.5004 -22.1777 -22.1656 -22.1136 -22.1026 -6.3328 -6.3222 -6.2735 -6.2614 -5.1806 -5.1669 -5.1371 -5.1218 5.5590 5.6014 5.6512 5.6994 6.1647 6.1775 6.4279 6.4454 7.0323 7.0427 7.3553 7.3746 7.8459 7.8792 7.8815 7.9219 8.2157 8.2336 8.5359 8.5483 9.8293 9.8350 9.9897 9.9928 13.6808 13.7131 14.0718 14.1276 14.5353 14.5866 15.2727 15.2969 16.0098 16.0336 16.2708 16.2856 17.4928 17.5450 k = 0.0000 0.8674 0.0905 ( 2665 PWs) bands (ev): -48.7466 -48.7466 -48.7405 -48.7405 -24.8222 -24.8120 -24.7891 -24.7786 -22.5518 -22.5488 -22.4997 -22.4990 -22.1783 -22.1644 -22.1149 -22.1022 -6.3404 -6.3285 -6.2822 -6.2686 -5.1721 -5.1567 -5.1274 -5.1101 5.5374 5.5804 5.6353 5.6847 6.1267 6.1400 6.4022 6.4189 7.0324 7.0471 7.3605 7.3838 7.8654 7.8977 7.9251 7.9693 8.2805 8.2975 8.5548 8.5698 9.8175 9.8241 9.9853 9.9888 13.6322 13.6652 14.0383 14.0972 14.5422 14.5963 15.2780 15.3039 16.0193 16.0461 16.2799 16.2964 17.4357 17.4894 k = 0.0000 0.8677 0.1057 ( 2667 PWs) bands (ev): -48.7466 -48.7466 -48.7406 -48.7406 -24.8227 -24.8114 -24.7899 -24.7781 -22.5533 -22.5501 -22.4983 -22.4975 -22.1788 -22.1631 -22.1161 -22.1018 -6.3487 -6.3357 -6.2916 -6.2768 -5.1625 -5.1456 -5.1163 -5.0973 5.5147 5.5575 5.6177 5.6673 6.0865 6.1002 6.3704 6.3859 7.0369 7.0566 7.3687 7.3961 7.8881 7.9188 7.9738 8.0212 8.3471 8.3629 8.5758 8.5940 9.8046 9.8122 9.9808 9.9847 13.5798 13.6128 13.9992 14.0601 14.5522 14.6078 15.2833 15.3104 16.0300 16.0594 16.2897 16.3074 17.3787 17.4331 k = 0.0000 0.8680 0.1209 ( 2667 PWs) bands (ev): -48.7465 -48.7465 -48.7406 -48.7406 -24.8232 -24.8107 -24.7905 -24.7776 -22.5549 -22.5514 -22.4968 -22.4959 -22.1792 -22.1618 -22.1174 -22.1014 -6.3576 -6.3436 -6.3016 -6.2858 -5.1518 -5.1336 -5.1041 -5.0835 5.4912 5.5333 5.5984 5.6477 6.0447 6.0588 6.3330 6.3473 7.0463 7.0711 7.3796 7.4113 7.9136 7.9432 8.0259 8.0764 8.4145 8.4282 8.5986 8.6207 9.7909 9.7996 9.9763 9.9806 13.5240 13.5567 13.9549 14.0170 14.5649 14.6209 15.2883 15.3161 16.0419 16.0732 16.2997 16.3182 17.3218 17.3765 k = 0.0000 0.8683 0.1361 ( 2662 PWs) bands (ev): -48.7464 -48.7464 -48.7406 -48.7406 -24.8237 -24.8102 -24.7911 -24.7771 -22.5564 -22.5528 -22.4953 -22.4943 -22.1796 -22.1604 -22.1187 -22.1012 -6.3670 -6.3521 -6.3121 -6.2955 -5.1401 -5.1209 -5.0908 -5.0688 5.4672 5.5083 5.5775 5.6261 6.0020 6.0165 6.2910 6.3042 7.0602 7.0901 7.3931 7.4291 7.9417 7.9705 8.0805 8.1341 8.4816 8.4920 8.6228 8.6504 9.7770 9.7867 9.9721 9.9768 13.4654 13.4974 13.9060 13.9686 14.5798 14.6355 15.2929 15.3209 16.0546 16.0872 16.3096 16.3284 17.2653 17.3198 k = 0.0000 0.8685 0.1513 ( 2662 PWs) bands (ev): -48.7463 -48.7463 -48.7407 -48.7407 -24.8241 -24.8097 -24.7916 -24.7767 -22.5580 -22.5543 -22.4937 -22.4927 -22.1798 -22.1592 -22.1199 -22.1010 -6.3767 -6.3612 -6.3230 -6.3058 -5.1277 -5.1076 -5.0766 -5.0536 5.4430 5.4829 5.5552 5.6028 5.9589 5.9739 6.2453 6.2577 7.0783 7.1130 7.4089 7.4492 7.9722 8.0005 8.1366 8.1933 8.5472 8.5523 8.6484 8.6837 9.7633 9.7740 9.9686 9.9736 13.4045 13.4356 13.8530 13.9158 14.5965 14.6513 15.2966 15.3248 16.0679 16.1010 16.3192 16.3375 17.2094 17.2633 k = 0.0000 0.8688 0.1666 ( 2662 PWs) bands (ev): -48.7462 -48.7462 -48.7408 -48.7408 -24.8245 -24.8094 -24.7921 -24.7764 -22.5595 -22.5557 -22.4922 -22.4910 -22.1800 -22.1579 -22.1212 -22.1009 -6.3868 -6.3707 -6.3341 -6.3165 -5.1146 -5.0939 -5.0618 -5.0379 5.4188 5.4574 5.5318 5.5782 5.9160 5.9315 6.1969 6.2089 7.1001 7.1392 7.4267 7.4711 8.0047 8.0328 8.1934 8.2533 8.6061 8.6095 8.6765 8.7218 9.7502 9.7619 9.9659 9.9712 13.3418 13.3720 13.7965 13.8591 14.6146 14.6683 15.2995 15.3275 16.0815 16.1143 16.3281 16.3451 17.1542 17.2074 k = 0.0000 0.8691 0.1818 ( 2656 PWs) bands (ev): -48.7460 -48.7460 -48.7408 -48.7408 -24.8248 -24.8092 -24.7923 -24.7761 -22.5610 -22.5572 -22.4906 -22.4893 -22.1801 -22.1567 -22.1223 -22.1008 -6.3969 -6.3806 -6.3454 -6.3276 -5.1011 -5.0799 -5.0464 -5.0218 5.3948 5.4321 5.5075 5.5526 5.8736 5.8895 6.1469 6.1586 7.1249 7.1681 7.4462 7.4947 8.0391 8.0673 8.2502 8.3133 8.6524 8.6613 8.7121 8.7657 9.7384 9.7511 9.9644 9.9701 13.2778 13.3070 13.7370 13.7991 14.6339 14.6862 15.3014 15.3292 16.0952 16.1267 16.3360 16.3510 17.1000 17.1525 k = 0.0000 0.8694 0.1970 ( 2656 PWs) bands (ev): -48.7459 -48.7459 -48.7409 -48.7409 -24.8251 -24.8091 -24.7924 -24.7758 -22.5625 -22.5587 -22.4891 -22.4877 -22.1801 -22.1556 -22.1235 -22.1008 -6.4072 -6.3906 -6.3567 -6.3388 -5.0872 -5.0656 -5.0306 -5.0056 5.3712 5.4071 5.4826 5.5262 5.8321 5.8485 6.0959 6.1075 7.1524 7.1994 7.4671 7.5195 8.0750 8.1035 8.3063 8.3726 8.6904 8.6967 8.7606 8.8142 9.7286 9.7421 9.9645 9.9705 13.2129 13.2412 13.6750 13.7365 14.6541 14.7048 15.3022 15.3297 16.1087 16.1379 16.3427 16.3546 17.0472 17.0990 k = 0.0000 0.8697 0.2122 ( 2661 PWs) bands (ev): -48.7460 -48.7460 -48.7410 -48.7410 -24.8254 -24.8092 -24.7925 -24.7756 -22.5640 -22.5602 -22.4876 -22.4861 -22.1800 -22.1545 -22.1246 -22.1010 -6.4174 -6.4008 -6.3679 -6.3502 -5.0730 -5.0514 -5.0147 -4.9893 5.3481 5.3828 5.4572 5.4994 5.7918 5.8088 6.0447 6.0565 7.1820 7.2325 7.4890 7.5452 8.1120 8.1411 8.3607 8.4302 8.7216 8.7221 8.8148 8.8646 9.7215 9.7356 9.9664 9.9728 13.1476 13.1751 13.6110 13.6716 14.6750 14.7241 15.3018 15.3292 16.1216 16.1474 16.3478 16.3558 16.9962 17.0476 k = 0.0000 0.8700 0.2274 ( 2661 PWs) bands (ev): -48.7459 -48.7459 -48.7411 -48.7411 -24.8256 -24.8095 -24.7923 -24.7755 -22.5654 -22.5616 -22.4861 -22.4845 -22.1799 -22.1536 -22.1255 -22.1012 -6.4275 -6.4109 -6.3790 -6.3615 -5.0588 -5.0372 -4.9986 -4.9731 5.3258 5.3592 5.4316 5.4723 5.7531 5.7705 5.9939 6.0059 7.2134 7.2671 7.5118 7.5717 8.1499 8.1797 8.4128 8.4852 8.7422 8.7491 8.8683 8.9140 9.7179 9.7321 9.9706 9.9773 13.0824 13.1092 13.5453 13.6050 14.6964 14.7440 15.3003 15.3274 16.1336 16.1549 16.3512 16.3545 16.9475 16.9989 k = 0.0000 0.8702 0.2426 ( 2661 PWs) bands (ev): -48.7458 -48.7458 -48.7412 -48.7412 -24.8257 -24.8099 -24.7920 -24.7754 -22.5667 -22.5630 -22.4847 -22.4830 -22.1796 -22.1529 -22.1263 -22.1015 -6.4374 -6.4210 -6.3899 -6.3727 -5.0446 -5.0231 -4.9825 -4.9572 5.3044 5.3365 5.4061 5.4451 5.7162 5.7340 5.9439 5.9563 7.2463 7.3031 7.5352 7.5986 8.1881 8.2188 8.4613 8.5360 8.7604 8.7733 8.9187 8.9606 9.7182 9.7322 9.9773 9.9843 13.0179 13.0440 13.4785 13.5370 14.7183 14.7642 15.2976 15.3246 16.1445 16.1601 16.3495 16.3534 16.9016 16.9532 k = 0.0000 0.8705 0.2579 ( 2659 PWs) bands (ev): -48.7457 -48.7457 -48.7412 -48.7412 -24.8258 -24.8104 -24.7915 -24.7754 -22.5680 -22.5644 -22.4833 -22.4816 -22.1793 -22.1524 -22.1269 -22.1019 -6.4470 -6.4309 -6.4004 -6.3837 -5.0306 -5.0094 -4.9667 -4.9417 5.2839 5.3149 5.3808 5.4183 5.6813 5.6993 5.8951 5.9080 7.2803 7.3401 7.5588 7.6257 8.2264 8.2579 8.5050 8.5808 8.7777 8.7959 8.9648 9.0033 9.7232 9.7364 9.9866 9.9940 12.9544 12.9800 13.4108 13.4682 14.7404 14.7848 15.2937 15.3206 16.1537 16.1629 16.3423 16.3528 16.8590 16.9112 k = 0.0000 0.8708 0.2731 ( 2653 PWs) bands (ev): -48.7455 -48.7455 -48.7412 -48.7412 -24.8258 -24.8110 -24.7909 -24.7754 -22.5692 -22.5656 -22.4819 -22.4802 -22.1788 -22.1521 -22.1272 -22.1023 -6.4563 -6.4405 -6.4105 -6.3943 -5.0168 -4.9961 -4.9512 -4.9266 5.2645 5.2943 5.3560 5.3918 5.6485 5.6667 5.8480 5.8613 7.3152 7.3779 7.5825 7.6528 8.2641 8.2965 8.5425 8.6170 8.7960 8.8184 9.0063 9.0413 9.7329 9.7449 9.9986 10.0064 12.8926 12.9177 13.3428 13.3989 14.7628 14.8055 15.2886 15.3154 16.1596 16.1647 16.3321 16.3503 16.8201 16.8731 k = 0.0000 0.8711 0.2883 ( 2655 PWs) bands (ev): -48.7455 -48.7455 -48.7413 -48.7413 -24.8258 -24.8117 -24.7903 -24.7755 -22.5703 -22.5669 -22.4806 -22.4789 -22.1783 -22.1520 -22.1273 -22.1028 -6.4651 -6.4498 -6.4201 -6.4046 -5.0035 -4.9833 -4.9361 -4.9121 5.2462 5.2750 5.3318 5.3660 5.6180 5.6363 5.8027 5.8166 7.3509 7.4163 7.6060 7.6796 8.3010 8.3341 8.5722 8.6420 8.8172 8.8426 9.0428 9.0746 9.7472 9.7577 10.0132 10.0215 12.8330 12.8577 13.2749 13.3295 14.7852 14.8264 15.2824 15.3092 16.1584 16.1692 16.3191 16.3457 16.7854 16.8390 k = 0.0000 0.8714 0.3035 ( 2653 PWs) bands (ev): -48.7454 -48.7454 -48.7414 -48.7414 -24.8257 -24.8124 -24.7896 -24.7756 -22.5713 -22.5681 -22.4794 -22.4777 -22.1777 -22.1523 -22.1272 -22.1034 -6.4735 -6.4588 -6.4293 -6.4144 -4.9906 -4.9711 -4.9215 -4.8984 5.2292 5.2569 5.3085 5.3411 5.5899 5.6082 5.7596 5.7739 7.3869 7.4552 7.6290 7.7059 8.3365 8.3701 8.5931 8.6550 8.8417 8.8698 9.0745 9.1034 9.7657 9.7746 10.0303 10.0389 12.7761 12.8005 13.2075 13.2605 14.8077 14.8473 15.2751 15.3018 16.1534 16.1731 16.3037 16.3391 16.7551 16.8092 k = 0.0000 0.8716 0.3187 ( 2653 PWs) bands (ev): -48.7453 -48.7453 -48.7415 -48.7415 -24.8256 -24.8132 -24.7889 -24.7757 -22.5723 -22.5693 -22.4782 -22.4766 -22.1770 -22.1528 -22.1268 -22.1040 -6.4814 -6.4673 -6.4378 -6.4237 -4.9783 -4.9597 -4.9076 -4.8854 5.2135 5.2403 5.2862 5.3172 5.5642 5.5825 5.7188 5.7336 7.4232 7.4942 7.6512 7.7313 8.3701 8.4040 8.6050 8.6577 8.8687 8.8997 9.1016 9.1281 9.7875 9.7951 10.0494 10.0583 12.7224 12.7467 13.1410 13.1924 14.8301 14.8681 15.2667 15.2934 16.1460 16.1754 16.2863 16.3304 16.7292 16.7832 k = 0.0000 0.8719 0.3339 ( 2655 PWs) bands (ev): -48.7453 -48.7453 -48.7416 -48.7416 -24.8254 -24.8141 -24.7881 -24.7760 -22.5732 -22.5703 -22.4771 -22.4755 -22.1763 -22.1535 -22.1262 -22.1048 -6.4887 -6.4753 -6.4457 -6.4325 -4.9667 -4.9490 -4.8945 -4.8733 5.1992 5.2250 5.2651 5.2946 5.5410 5.5592 5.6806 5.6958 7.4593 7.5331 7.6722 7.7556 8.4014 8.4352 8.6086 8.6526 8.8969 8.9308 9.1248 9.1494 9.8115 9.8186 10.0701 10.0792 12.6726 12.6967 13.0760 13.1256 14.8522 14.8887 15.2573 15.2840 16.1371 16.1760 16.2672 16.3198 16.7078 16.7609 k = 0.0000 0.8722 0.3492 ( 2655 PWs) bands (ev): -48.7452 -48.7452 -48.7416 -48.7416 -24.8252 -24.8149 -24.7873 -24.7763 -22.5739 -22.5713 -22.4761 -22.4746 -22.1754 -22.1544 -22.1254 -22.1055 -6.4953 -6.4828 -6.4530 -6.4406 -4.9559 -4.9392 -4.8822 -4.8622 5.1864 5.2113 5.2454 5.2734 5.5203 5.5383 5.6452 5.6607 7.4951 7.5718 7.6918 7.7783 8.4300 8.4632 8.6057 8.6420 8.9254 8.9611 9.1448 9.1678 9.8367 9.8441 10.0918 10.1009 12.6272 12.6511 13.0131 13.0607 14.8741 14.9090 15.2471 15.2736 16.1274 16.1753 16.2470 16.3077 16.6906 16.7417 k = 0.0000 0.8725 0.3644 ( 2653 PWs) bands (ev): -48.7451 -48.7451 -48.7417 -48.7417 -24.8249 -24.8157 -24.7865 -24.7766 -22.5746 -22.5722 -22.4752 -22.4738 -22.1745 -22.1554 -22.1244 -22.1064 -6.5013 -6.4897 -6.4595 -6.4480 -4.9459 -4.9303 -4.8709 -4.8522 5.1750 5.1990 5.2272 5.2538 5.5023 5.5200 5.6127 5.6284 7.5303 7.6098 7.7096 7.7992 8.4554 8.4874 8.5981 8.6279 8.9531 8.9893 9.1623 9.1839 9.8623 9.8704 10.1138 10.1226 12.5867 12.6104 12.9528 12.9982 14.8955 14.9288 15.2362 15.2624 16.1174 16.1737 16.2262 16.2942 16.6773 16.7253 k = 0.0000 0.8728 0.3796 ( 2653 PWs) bands (ev): -48.7450 -48.7450 -48.7418 -48.7418 -24.8246 -24.8166 -24.7857 -24.7769 -22.5752 -22.5731 -22.4743 -22.4731 -22.1735 -22.1566 -22.1233 -22.1073 -6.5067 -6.4959 -6.4652 -6.4547 -4.9368 -4.9223 -4.8606 -4.8432 5.1652 5.1881 5.2108 5.2359 5.4869 5.5041 5.5833 5.5989 7.5644 7.6467 7.7252 7.8177 8.4772 8.5073 8.5880 8.6122 8.9793 9.0144 9.1779 9.1980 9.8876 9.8963 10.1353 10.1438 12.5516 12.5750 12.8959 12.9388 14.9163 14.9478 15.2249 15.2504 16.1080 16.1718 16.2054 16.2799 16.6675 16.7112 k = 0.0000 0.8731 0.3948 ( 2652 PWs) bands (ev): -48.7449 -48.7449 -48.7419 -48.7419 -24.8242 -24.8174 -24.7849 -24.7773 -22.5757 -22.5738 -22.4736 -22.4725 -22.1724 -22.1578 -22.1222 -22.1083 -6.5113 -6.5015 -6.4702 -6.4606 -4.9287 -4.9155 -4.8513 -4.8355 5.1570 5.1786 5.1964 5.2197 5.4741 5.4906 5.5572 5.5725 7.5971 7.6822 7.7382 7.8335 8.4947 8.5217 8.5779 8.5965 9.0033 9.0359 9.1920 9.2102 9.9119 9.9208 10.1556 10.1635 12.5223 12.5451 12.8431 12.8830 14.9364 14.9657 15.2135 15.2380 16.0997 16.1702 16.1851 16.2649 16.6607 16.6989 k = 0.0000 0.8733 0.4100 ( 2650 PWs) bands (ev): -48.7447 -48.7447 -48.7420 -48.7420 -24.8238 -24.8182 -24.7841 -24.7778 -22.5761 -22.5745 -22.4729 -22.4719 -22.1713 -22.1591 -22.1210 -22.1093 -6.5151 -6.5065 -6.4744 -6.4658 -4.9217 -4.9097 -4.8433 -4.8289 5.1504 5.1701 5.1844 5.2055 5.4640 5.4795 5.5347 5.5492 7.6280 7.7155 7.7484 7.8458 8.5069 8.5284 8.5714 8.5833 9.0246 9.0537 9.2045 9.2205 9.9344 9.9431 10.1742 10.1812 12.4991 12.5209 12.7954 12.8318 14.9554 14.9822 15.2024 15.2255 16.0931 16.1658 16.1693 16.2499 16.6564 16.6881 k = 0.0000 0.8736 0.4252 ( 2644 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8233 -24.8190 -24.7833 -24.7782 -22.5763 -22.5750 -22.4723 -22.4715 -22.1701 -22.1604 -22.1197 -22.1103 -6.5182 -6.5107 -6.4777 -6.4702 -4.9157 -4.9050 -4.8364 -4.8236 5.1454 5.1621 5.1755 5.1932 5.4565 5.4703 5.5160 5.5291 7.6565 7.7439 7.7577 7.8543 8.5123 8.5264 8.5710 8.5753 9.0430 9.0676 9.2153 9.2291 9.9544 9.9623 10.1903 10.1962 12.4821 12.5022 12.7539 12.7860 14.9730 14.9965 15.1925 15.2131 16.0886 16.1478 16.1695 16.2353 16.6540 16.6784 k = 0.0000 0.8739 0.4404 ( 2642 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8228 -24.8197 -24.7825 -24.7788 -22.5765 -22.5755 -22.4718 -22.4712 -22.1688 -22.1618 -22.1185 -22.1114 -6.5205 -6.5141 -6.4802 -6.4737 -4.9109 -4.9014 -4.8307 -4.8196 5.1421 5.1543 5.1700 5.1830 5.4517 5.4627 5.5019 5.5124 7.6823 7.7537 7.7787 7.8583 8.5110 8.5199 8.5729 8.5743 9.0582 9.0778 9.2242 9.2356 9.9713 9.9779 10.2036 10.2080 12.4712 12.4885 12.7199 12.7466 14.9886 15.0077 15.1846 15.2016 16.0864 16.1316 16.1714 16.2215 16.6533 16.6698 k = 0.0000 0.8742 0.4557 ( 2644 PWs) bands (ev): -48.7446 -48.7446 -48.7420 -48.7420 -24.8222 -24.8205 -24.7818 -24.7793 -22.5767 -22.5759 -22.4715 -22.4710 -22.1676 -22.1632 -22.1172 -22.1126 -6.5221 -6.5168 -6.4818 -6.4765 -4.9072 -4.8991 -4.8264 -4.8170 5.1405 5.1474 5.1673 5.1749 5.4495 5.4561 5.4928 5.4991 7.7049 7.7528 7.8026 7.8575 8.5065 8.5135 8.5752 8.5764 9.0699 9.0844 9.2309 9.2399 9.9846 9.9895 10.2135 10.2164 12.4657 12.4791 12.6949 12.7148 15.0014 15.0147 15.1798 15.1918 16.0867 16.1174 16.1750 16.2089 16.6536 16.6620 k = 0.0000 0.8745 0.4709 ( 2650 PWs) bands (ev): -48.7446 -48.7446 -48.7421 -48.7421 -24.8217 -24.8212 -24.7811 -24.7800 -22.5768 -22.5761 -22.4712 -22.4709 -22.1663 -22.1646 -22.1160 -22.1138 -6.5228 -6.5188 -6.4826 -6.4783 -4.9047 -4.8979 -4.8233 -4.8156 5.1405 5.1419 5.1670 5.1689 5.4495 5.4501 5.4891 5.4896 7.7238 7.7469 7.8231 7.8515 8.5026 8.5097 8.5769 8.5784 9.0781 9.0874 9.2352 9.2420 9.9938 9.9967 10.2198 10.2210 12.4651 12.4729 12.6805 12.6918 15.0106 15.0166 15.1793 15.1847 16.0896 16.1055 16.1805 16.1979 16.6538 16.6560 k = 0.5000 0.8564 0.5029 ( 2662 PWs) bands (ev): -48.7435 -48.7435 -48.7435 -48.7435 -24.8088 -24.8088 -24.7933 -24.7933 -22.5484 -22.5484 -22.5045 -22.5045 -22.1507 -22.1507 -22.1288 -22.1288 -6.2876 -6.2876 -6.2387 -6.2387 -5.1992 -5.1992 -5.1717 -5.1717 5.7130 5.7130 5.7405 5.7405 6.2782 6.2782 6.3164 6.3164 6.8566 6.8566 6.8744 6.8744 7.6448 7.6448 7.6769 7.6769 8.7818 8.7818 8.7884 8.7884 10.5872 10.5872 10.5931 10.5931 13.7514 13.7514 13.7663 13.7663 14.2757 14.2757 14.2888 14.2888 16.0507 16.0507 16.0552 16.0552 17.9496 17.9509 k = 0.5000 0.8411 0.5029 ( 2660 PWs) bands (ev): -48.7436 -48.7436 -48.7436 -48.7436 -24.8084 -24.8084 -24.7929 -24.7929 -22.5478 -22.5478 -22.5039 -22.5039 -22.1508 -22.1508 -22.1289 -22.1289 -6.2881 -6.2881 -6.2392 -6.2392 -5.1995 -5.1995 -5.1719 -5.1719 5.7142 5.7142 5.7420 5.7420 6.2757 6.2757 6.3141 6.3141 6.8598 6.8598 6.8787 6.8787 7.6480 7.6480 7.6802 7.6802 8.7804 8.7804 8.7871 8.7871 10.5856 10.5856 10.5916 10.5916 13.7511 13.7511 13.7665 13.7665 14.2783 14.2783 14.2916 14.2916 16.0366 16.0366 16.0423 16.0423 17.9493 17.9499 k = 0.5000 0.8258 0.5029 ( 2660 PWs) bands (ev): -48.7439 -48.7439 -48.7439 -48.7439 -24.8078 -24.8078 -24.7922 -24.7922 -22.5466 -22.5466 -22.5027 -22.5027 -22.1510 -22.1510 -22.1290 -22.1290 -6.2890 -6.2890 -6.2400 -6.2400 -5.2002 -5.2002 -5.1725 -5.1725 5.7165 5.7165 5.7448 5.7448 6.2713 6.2713 6.3101 6.3101 6.8664 6.8664 6.8870 6.8870 7.6533 7.6533 7.6855 7.6855 8.7777 8.7777 8.7845 8.7845 10.5829 10.5829 10.5889 10.5889 13.7512 13.7512 13.7671 13.7671 14.2831 14.2831 14.2965 14.2965 16.0102 16.0102 16.0176 16.0176 17.9453 17.9469 k = 0.5000 0.8105 0.5029 ( 2660 PWs) bands (ev): -48.7443 -48.7443 -48.7443 -48.7443 -24.8068 -24.8068 -24.7912 -24.7912 -22.5449 -22.5449 -22.5009 -22.5009 -22.1513 -22.1513 -22.1292 -22.1292 -6.2903 -6.2903 -6.2412 -6.2412 -5.2012 -5.2012 -5.1734 -5.1734 5.7200 5.7200 5.7489 5.7489 6.2653 6.2653 6.3045 6.3045 6.8765 6.8765 6.8991 6.8991 7.6607 7.6607 7.6929 7.6929 8.7738 8.7738 8.7806 8.7806 10.5789 10.5789 10.5849 10.5849 13.7518 13.7518 13.7681 13.7681 14.2900 14.2900 14.3035 14.3035 15.9720 15.9720 15.9813 15.9813 17.9396 17.9410 k = 0.5000 0.7952 0.5029 ( 2658 PWs) bands (ev): -48.7448 -48.7448 -48.7448 -48.7448 -24.8056 -24.8056 -24.7899 -24.7899 -22.5426 -22.5426 -22.4985 -22.4985 -22.1516 -22.1516 -22.1294 -22.1294 -6.2920 -6.2920 -6.2427 -6.2427 -5.2026 -5.2026 -5.1746 -5.1746 5.7246 5.7246 5.7543 5.7543 6.2576 6.2576 6.2973 6.2973 6.8901 6.8901 6.9148 6.9148 7.6701 7.6701 7.7023 7.7023 8.7685 8.7685 8.7754 8.7754 10.5738 10.5738 10.5798 10.5798 13.7528 13.7528 13.7695 13.7695 14.2990 14.2990 14.3124 14.3124 15.9226 15.9226 15.9336 15.9336 17.9321 17.9332 k = 0.5000 0.7800 0.5029 ( 2658 PWs) bands (ev): -48.7455 -48.7455 -48.7455 -48.7455 -24.8040 -24.8040 -24.7883 -24.7883 -22.5398 -22.5398 -22.4956 -22.4956 -22.1520 -22.1520 -22.1297 -22.1297 -6.2941 -6.2941 -6.2447 -6.2447 -5.2043 -5.2043 -5.1761 -5.1761 5.7304 5.7304 5.7611 5.7611 6.2485 6.2485 6.2887 6.2887 6.9070 6.9070 6.9338 6.9338 7.6816 7.6816 7.7137 7.7137 8.7620 8.7620 8.7690 8.7690 10.5675 10.5675 10.5735 10.5735 13.7541 13.7541 13.7712 13.7712 14.3100 14.3100 14.3233 14.3233 15.8627 15.8627 15.8751 15.8751 17.9238 17.9314 k = 0.5000 0.7647 0.5029 ( 2662 PWs) bands (ev): -48.7463 -48.7463 -48.7463 -48.7463 -24.8022 -24.8022 -24.7864 -24.7864 -22.5364 -22.5364 -22.4921 -22.4921 -22.1525 -22.1525 -22.1300 -22.1300 -6.2966 -6.2966 -6.2471 -6.2471 -5.2063 -5.2063 -5.1778 -5.1778 5.7372 5.7372 5.7690 5.7690 6.2381 6.2381 6.2786 6.2786 6.9272 6.9272 6.9558 6.9558 7.6953 7.6953 7.7272 7.7272 8.7543 8.7543 8.7615 8.7615 10.5600 10.5600 10.5660 10.5660 13.7559 13.7559 13.7732 13.7732 14.3229 14.3229 14.3360 14.3360 15.7929 15.7929 15.8065 15.8065 17.9143 17.9144 k = 0.5000 0.7494 0.5029 ( 2656 PWs) bands (ev): -48.7472 -48.7472 -48.7472 -48.7472 -24.8000 -24.8000 -24.7841 -24.7841 -22.5325 -22.5325 -22.4881 -22.4881 -22.1530 -22.1530 -22.1303 -22.1303 -6.2996 -6.2996 -6.2499 -6.2499 -5.2085 -5.2085 -5.1797 -5.1797 5.7452 5.7452 5.7783 5.7783 6.2265 6.2265 6.2673 6.2673 6.9505 6.9505 6.9807 6.9807 7.7111 7.7111 7.7428 7.7428 8.7455 8.7455 8.7529 8.7529 10.5513 10.5513 10.5573 10.5573 13.7580 13.7580 13.7756 13.7756 14.3377 14.3377 14.3506 14.3506 15.7141 15.7141 15.7286 15.7286 17.9038 17.9042 k = 0.5000 0.7341 0.5029 ( 2654 PWs) bands (ev): -48.7482 -48.7482 -48.7482 -48.7482 -24.7976 -24.7976 -24.7817 -24.7817 -22.5281 -22.5281 -22.4836 -22.4836 -22.1535 -22.1535 -22.1306 -22.1306 -6.3030 -6.3030 -6.2531 -6.2531 -5.2109 -5.2109 -5.1819 -5.1819 5.7542 5.7542 5.7887 5.7887 6.2137 6.2137 6.2547 6.2547 6.9768 6.9768 7.0083 7.0083 7.7291 7.7291 7.7605 7.7605 8.7357 8.7357 8.7434 8.7434 10.5415 10.5415 10.5475 10.5475 13.7605 13.7605 13.7783 13.7783 14.3542 14.3542 14.3668 14.3668 15.6271 15.6271 15.6422 15.6422 17.8923 17.8938 k = 0.5000 0.7188 0.5029 ( 2650 PWs) bands (ev): -48.7493 -48.7493 -48.7493 -48.7493 -24.7949 -24.7949 -24.7789 -24.7789 -22.5232 -22.5232 -22.4786 -22.4786 -22.1540 -22.1540 -22.1309 -22.1309 -6.3069 -6.3069 -6.2568 -6.2568 -5.2135 -5.2135 -5.1841 -5.1841 5.7643 5.7643 5.8003 5.8003 6.1998 6.1998 6.2409 6.2409 7.0059 7.0059 7.0385 7.0385 7.7492 7.7492 7.7802 7.7802 8.7250 8.7250 8.7330 8.7330 10.5306 10.5306 10.5366 10.5366 13.7632 13.7632 13.7812 13.7812 14.3724 14.3724 14.3846 14.3846 15.5327 15.5327 15.5482 15.5482 17.8798 17.8803 k = 0.5000 0.7035 0.5029 ( 2656 PWs) bands (ev): -48.7507 -48.7507 -48.7507 -48.7507 -24.7921 -24.7921 -24.7760 -24.7760 -22.5179 -22.5179 -22.4732 -22.4732 -22.1546 -22.1546 -22.1312 -22.1312 -6.3113 -6.3113 -6.2611 -6.2611 -5.2161 -5.2161 -5.1865 -5.1865 5.7754 5.7754 5.8130 5.8130 6.1848 6.1848 6.2259 6.2259 7.0378 7.0378 7.0711 7.0711 7.7714 7.7714 7.8019 7.8019 8.7136 8.7136 8.7218 8.7218 10.5185 10.5185 10.5245 10.5245 13.7661 13.7661 13.7843 13.7843 14.3921 14.3921 14.4039 14.4039 15.4318 15.4318 15.4475 15.4475 17.8665 17.8671 k = 0.5000 0.6882 0.5029 ( 2656 PWs) bands (ev): -48.7521 -48.7521 -48.7521 -48.7521 -24.7890 -24.7890 -24.7728 -24.7728 -22.5121 -22.5121 -22.4673 -22.4673 -22.1550 -22.1550 -22.1314 -22.1314 -6.3163 -6.3163 -6.2659 -6.2659 -5.2189 -5.2189 -5.1890 -5.1890 5.7874 5.7874 5.8269 5.8269 6.1688 6.1688 6.2099 6.2099 7.0722 7.0722 7.1061 7.1061 7.7955 7.7955 7.8255 7.8255 8.7015 8.7015 8.7101 8.7101 10.5053 10.5053 10.5113 10.5113 13.7692 13.7692 13.7877 13.7877 14.4132 14.4132 14.4245 14.4245 15.3254 15.3254 15.3412 15.3412 17.8523 17.8525 k = 0.5000 0.6729 0.5029 ( 2652 PWs) bands (ev): -48.7535 -48.7535 -48.7535 -48.7535 -24.7857 -24.7857 -24.7694 -24.7694 -22.5059 -22.5059 -22.4610 -22.4610 -22.1554 -22.1554 -22.1314 -22.1314 -6.3218 -6.3218 -6.2713 -6.2713 -5.2216 -5.2216 -5.1914 -5.1914 5.8003 5.8003 5.8419 5.8419 6.1518 6.1518 6.1928 6.1928 7.1093 7.1093 7.1435 7.1435 7.8215 7.8215 7.8509 7.8509 8.6890 8.6890 8.6980 8.6980 10.4911 10.4911 10.4970 10.4970 13.7724 13.7724 13.7912 13.7912 14.4354 14.4354 14.4461 14.4461 15.2143 15.2143 15.2302 15.2302 17.8375 17.8381 k = 0.5000 0.6576 0.5029 ( 2652 PWs) bands (ev): -48.7551 -48.7551 -48.7551 -48.7551 -24.7821 -24.7821 -24.7658 -24.7658 -22.4994 -22.4994 -22.4544 -22.4544 -22.1556 -22.1556 -22.1314 -22.1314 -6.3278 -6.3278 -6.2772 -6.2772 -5.2243 -5.2243 -5.1939 -5.1939 5.8139 5.8139 5.8579 5.8579 6.1338 6.1338 6.1749 6.1749 7.1488 7.1488 7.1832 7.1832 7.8491 7.8491 7.8780 7.8780 8.6763 8.6763 8.6857 8.6857 10.4757 10.4757 10.4817 10.4817 13.7756 13.7756 13.7947 13.7947 14.4585 14.4585 14.4684 14.4684 15.0995 15.0995 15.1157 15.1157 17.8222 17.8223 k = 0.5000 0.6423 0.5029 ( 2650 PWs) bands (ev): -48.7568 -48.7568 -48.7568 -48.7568 -24.7785 -24.7785 -24.7621 -24.7621 -22.4926 -22.4926 -22.4475 -22.4475 -22.1557 -22.1557 -22.1312 -22.1312 -6.3344 -6.3344 -6.2838 -6.2838 -5.2269 -5.2269 -5.1963 -5.1963 5.8279 5.8279 5.8748 5.8748 6.1149 6.1149 6.1562 6.1562 7.1907 7.1907 7.2251 7.2251 7.8781 7.8781 7.9065 7.9065 8.6635 8.6635 8.6734 8.6734 10.4593 10.4593 10.4653 10.4653 13.7787 13.7787 13.7984 13.7984 14.4818 14.4818 14.4909 14.4909 14.9823 14.9823 14.9991 14.9991 17.8063 17.8076 k = 0.5000 0.6270 0.5029 ( 2652 PWs) bands (ev): -48.7586 -48.7586 -48.7586 -48.7586 -24.7746 -24.7746 -24.7582 -24.7582 -22.4855 -22.4855 -22.4404 -22.4404 -22.1556 -22.1556 -22.1308 -22.1308 -6.3416 -6.3416 -6.2911 -6.2911 -5.2293 -5.2293 -5.1986 -5.1986 5.8419 5.8419 5.8925 5.8925 6.0953 6.0953 6.1373 6.1373 7.2350 7.2350 7.2692 7.2692 7.9083 7.9083 7.9362 7.9362 8.6511 8.6511 8.6615 8.6615 10.4418 10.4418 10.4478 10.4478 13.7815 13.7815 13.8020 13.8020 14.5040 14.5040 14.5122 14.5122 14.8644 14.8644 14.8826 14.8826 17.7901 17.7904 k = 0.5000 0.6117 0.5029 ( 2648 PWs) bands (ev): -48.7604 -48.7604 -48.7604 -48.7604 -24.7707 -24.7707 -24.7542 -24.7542 -22.4781 -22.4781 -22.4331 -22.4331 -22.1552 -22.1552 -22.1301 -22.1301 -6.3494 -6.3494 -6.2989 -6.2989 -5.2315 -5.2315 -5.2007 -5.2007 5.8554 5.8554 5.9105 5.9105 6.0756 6.0756 6.1187 6.1187 7.2815 7.2815 7.3155 7.3155 7.9392 7.9392 7.9667 7.9667 8.6393 8.6393 8.6503 8.6503 10.4233 10.4233 10.4293 10.4293 13.7838 13.7838 13.8055 13.8055 14.5204 14.5204 14.5283 14.5283 14.7504 14.7504 14.7715 14.7715 17.7737 17.7742 k = 0.5000 0.5964 0.5029 ( 2648 PWs) bands (ev): -48.7624 -48.7624 -48.7623 -48.7623 -24.7666 -24.7666 -24.7501 -24.7501 -22.4706 -22.4706 -22.4257 -22.4257 -22.1544 -22.1544 -22.1291 -22.1291 -6.3578 -6.3578 -6.3075 -6.3075 -5.2335 -5.2335 -5.2027 -5.2027 5.8672 5.8672 5.9277 5.9277 6.0566 6.0566 6.1015 6.1015 7.3302 7.3302 7.3639 7.3639 7.9704 7.9704 7.9976 7.9976 8.6285 8.6285 8.6402 8.6402 10.4038 10.4038 10.4097 10.4097 13.7854 13.7854 13.8088 13.8088 14.5112 14.5112 14.5219 14.5219 14.6603 14.6603 14.6847 14.6847 17.7573 17.7573 k = 0.5000 0.5811 0.5029 ( 2648 PWs) bands (ev): -48.7644 -48.7644 -48.7644 -48.7644 -24.7624 -24.7624 -24.7459 -24.7459 -22.4629 -22.4629 -22.4182 -22.4182 -22.1533 -22.1533 -22.1278 -22.1278 -6.3668 -6.3668 -6.3167 -6.3167 -5.2353 -5.2353 -5.2045 -5.2045 5.8756 5.8756 5.9416 5.9416 6.0411 6.0411 6.0876 6.0876 7.3809 7.3809 7.4142 7.4142 8.0014 8.0014 8.0285 8.0285 8.6194 8.6194 8.6318 8.6318 10.3833 10.3833 10.3892 10.3892 13.7857 13.7857 13.8118 13.8118 14.4391 14.4391 14.4540 14.4540 14.6370 14.6370 14.6568 14.6568 17.7409 17.7418 k = 0.5000 0.5659 0.5029 ( 2648 PWs) bands (ev): -48.7665 -48.7665 -48.7665 -48.7665 -24.7581 -24.7581 -24.7416 -24.7416 -22.4553 -22.4553 -22.4109 -22.4109 -22.1518 -22.1518 -22.1261 -22.1261 -6.3764 -6.3764 -6.3266 -6.3266 -5.2367 -5.2367 -5.2060 -5.2060 5.8784 5.8784 5.9460 5.9460 6.0349 6.0349 6.0796 6.0796 7.4336 7.4336 7.4664 7.4664 8.0315 8.0315 8.0586 8.0586 8.6124 8.6124 8.6256 8.6256 10.3617 10.3617 10.3676 10.3676 13.7838 13.7838 13.8143 13.8143 14.3282 14.3282 14.3497 14.3497 14.6528 14.6528 14.6680 14.6680 17.7249 17.7251 k = 0.5000 0.5506 0.5029 ( 2648 PWs) bands (ev): -48.7686 -48.7686 -48.7686 -48.7686 -24.7538 -24.7538 -24.7373 -24.7373 -22.4476 -22.4476 -22.4036 -22.4036 -22.1497 -22.1497 -22.1239 -22.1239 -6.3866 -6.3866 -6.3371 -6.3371 -5.2378 -5.2378 -5.2073 -5.2073 5.8735 5.8735 5.9359 5.9359 6.0430 6.0430 6.0796 6.0796 7.4879 7.4879 7.5202 7.5202 8.0601 8.0601 8.0873 8.0873 8.6084 8.6084 8.6224 8.6224 10.3392 10.3392 10.3451 10.3451 13.7783 13.7783 13.8158 13.8158 14.2085 14.2085 14.2390 14.2390 14.6781 14.6781 14.6909 14.6909 17.7089 17.7127 k = 0.5000 0.5353 0.5029 ( 2650 PWs) bands (ev): -48.7709 -48.7709 -48.7708 -48.7708 -24.7495 -24.7495 -24.7330 -24.7330 -22.4401 -22.4401 -22.3967 -22.3967 -22.1470 -22.1470 -22.1212 -22.1212 -6.3973 -6.3973 -6.3484 -6.3484 -5.2386 -5.2386 -5.2082 -5.2082 5.8604 5.8604 5.9148 5.9148 6.0617 6.0617 6.0886 6.0886 7.5437 7.5437 7.5755 7.5755 8.0865 8.0865 8.1140 8.1140 8.6080 8.6080 8.6228 8.6228 10.3157 10.3157 10.3216 10.3216 13.7659 13.7659 13.8153 13.8153 14.0883 14.0883 14.1325 14.1325 14.7064 14.7064 14.7178 14.7178 17.6936 17.6942 k = 0.5000 0.5200 0.5029 ( 2652 PWs) bands (ev): -48.7732 -48.7732 -48.7731 -48.7731 -24.7451 -24.7451 -24.7287 -24.7287 -22.4328 -22.4328 -22.3900 -22.3900 -22.1436 -22.1436 -22.1180 -22.1180 -6.4086 -6.4086 -6.3602 -6.3602 -5.2390 -5.2390 -5.2089 -5.2089 5.8405 5.8405 5.8879 5.8879 6.0857 6.0857 6.1055 6.1055 7.6005 7.6005 7.6317 7.6317 8.1101 8.1101 8.1380 8.1380 8.6120 8.6120 8.6277 8.6277 10.2912 10.2912 10.2972 10.2972 13.7400 13.7400 13.8085 13.8085 13.9742 13.9742 14.0389 14.0389 14.7362 14.7362 14.7466 14.7466 17.6788 17.6800 k = 0.5000 0.5047 0.5029 ( 2650 PWs) bands (ev): -48.7754 -48.7754 -48.7754 -48.7754 -24.7407 -24.7407 -24.7244 -24.7244 -22.4256 -22.4256 -22.3838 -22.3838 -22.1395 -22.1395 -22.1141 -22.1141 -6.4205 -6.4205 -6.3726 -6.3726 -5.2390 -5.2390 -5.2093 -5.2093 5.8153 5.8153 5.8576 5.8576 6.1128 6.1128 6.1287 6.1287 7.6581 7.6581 7.6886 7.6886 8.1305 8.1305 8.1588 8.1588 8.6210 8.6210 8.6375 8.6375 10.2658 10.2658 10.2718 10.2718 13.6910 13.6910 13.7740 13.7740 13.8883 13.8883 13.9689 13.9689 14.7667 14.7667 14.7763 14.7763 17.6649 17.6667 k = 0.5000 0.4894 0.5029 ( 2656 PWs) bands (ev): -48.7778 -48.7778 -48.7778 -48.7778 -24.7363 -24.7363 -24.7202 -24.7202 -22.4189 -22.4189 -22.3781 -22.3781 -22.1346 -22.1346 -22.1096 -22.1096 -6.4328 -6.4328 -6.3857 -6.3857 -5.2386 -5.2386 -5.2094 -5.2094 5.7865 5.7865 5.8249 5.8249 6.1421 6.1421 6.1566 6.1566 7.7156 7.7156 7.7452 7.7452 8.1477 8.1477 8.1768 8.1768 8.6354 8.6354 8.6527 8.6527 10.2395 10.2395 10.2455 10.2455 13.6153 13.6153 13.6844 13.6844 13.8589 13.8589 13.9269 13.9269 14.7977 14.7977 14.8066 14.8066 17.6518 17.6540 k = 0.5000 0.4741 0.5029 ( 2656 PWs) bands (ev): -48.7802 -48.7802 -48.7801 -48.7801 -24.7320 -24.7320 -24.7160 -24.7160 -22.4125 -22.4125 -22.3729 -22.3729 -22.1289 -22.1289 -22.1044 -22.1044 -6.4455 -6.4455 -6.3992 -6.3992 -5.2379 -5.2379 -5.2092 -5.2092 5.7551 5.7551 5.7905 5.7905 6.1736 6.1736 6.1879 6.1879 7.7721 7.7721 7.8006 7.8006 8.1625 8.1625 8.1926 8.1926 8.6551 8.6551 8.6732 8.6732 10.2122 10.2122 10.2184 10.2184 13.5209 13.5209 13.5731 13.5731 13.8529 13.8529 13.9051 13.9051 14.8288 14.8288 14.8371 14.8371 17.6396 17.6415 k = 0.5000 0.4588 0.5029 ( 2658 PWs) bands (ev): -48.7826 -48.7826 -48.7825 -48.7825 -24.7277 -24.7277 -24.7119 -24.7119 -22.4066 -22.4066 -22.3684 -22.3684 -22.1224 -22.1224 -22.0984 -22.0984 -6.4587 -6.4587 -6.4132 -6.4132 -5.2368 -5.2368 -5.2086 -5.2086 5.7217 5.7217 5.7546 5.7546 6.2072 6.2072 6.2220 6.2220 7.8261 7.8261 7.8532 7.8532 8.1764 8.1764 8.2081 8.2081 8.6797 8.6797 8.6986 8.6986 10.1840 10.1840 10.1903 10.1903 13.4177 13.4177 13.4586 13.4586 13.8522 13.8522 13.8940 13.8940 14.8599 14.8599 14.8677 14.8677 17.6285 17.6316 k = 0.5000 0.4435 0.5029 ( 2656 PWs) bands (ev): -48.7849 -48.7849 -48.7849 -48.7849 -24.7234 -24.7234 -24.7078 -24.7078 -22.4011 -22.4011 -22.3644 -22.3644 -22.1150 -22.1150 -22.0918 -22.0918 -6.4723 -6.4723 -6.4277 -6.4277 -5.2354 -5.2354 -5.2078 -5.2078 5.6868 5.6868 5.7177 5.7177 6.2430 6.2430 6.2582 6.2582 7.8756 7.8756 7.9008 7.9008 8.1918 8.1918 8.2257 8.2257 8.7084 8.7084 8.7283 8.7283 10.1549 10.1549 10.1614 10.1614 13.3114 13.3114 13.3449 13.3449 13.8531 13.8531 13.8884 13.8884 14.8909 14.8909 14.8983 14.8983 17.6186 17.6197 k = 0.5000 0.4282 0.5029 ( 2652 PWs) bands (ev): -48.7873 -48.7873 -48.7872 -48.7872 -24.7192 -24.7192 -24.7038 -24.7038 -22.3962 -22.3962 -22.3611 -22.3611 -22.1067 -22.1067 -22.0843 -22.0843 -6.4861 -6.4861 -6.4426 -6.4426 -5.2336 -5.2336 -5.2067 -5.2067 5.6507 5.6507 5.6798 5.6798 6.2807 6.2807 6.2964 6.2964 7.9177 7.9177 7.9405 7.9405 8.2121 8.2121 8.2488 8.2488 8.7405 8.7405 8.7616 8.7616 10.1250 10.1250 10.1317 10.1317 13.2047 13.2047 13.2332 13.2332 13.8548 13.8548 13.8857 13.8857 14.9217 14.9217 14.9286 14.9286 17.6099 17.6100 k = 0.5000 0.4129 0.5029 ( 2654 PWs) bands (ev): -48.7897 -48.7897 -48.7897 -48.7897 -24.7151 -24.7151 -24.7000 -24.7000 -22.3918 -22.3918 -22.3584 -22.3584 -22.0978 -22.0978 -22.0762 -22.0762 -6.5002 -6.5002 -6.4577 -6.4577 -5.2315 -5.2315 -5.2053 -5.2053 5.6137 5.6137 5.6413 5.6413 6.3203 6.3203 6.3364 6.3364 7.9495 7.9495 7.9696 7.9696 8.2407 8.2407 8.2803 8.2803 8.7752 8.7752 8.7975 8.7975 10.0943 10.0943 10.1012 10.1012 13.0991 13.0991 13.1240 13.1240 13.8568 13.8568 13.8846 13.8846 14.9521 14.9521 14.9587 14.9587 17.6024 17.6032 k = 0.5000 0.3976 0.5029 ( 2648 PWs) bands (ev): -48.7920 -48.7920 -48.7920 -48.7920 -24.7110 -24.7110 -24.6962 -24.6962 -22.3879 -22.3879 -22.3563 -22.3563 -22.0881 -22.0881 -22.0674 -22.0674 -6.5145 -6.5145 -6.4732 -6.4732 -5.2292 -5.2292 -5.2037 -5.2037 5.5762 5.5762 5.6023 5.6023 6.3617 6.3617 6.3781 6.3781 7.9700 7.9700 7.9874 7.9874 8.2793 8.2793 8.3212 8.3212 8.8118 8.8118 8.8354 8.8354 10.0628 10.0628 10.0701 10.0701 12.9955 12.9955 13.0178 13.0178 13.8591 13.8591 13.8846 13.8846 14.9820 14.9820 14.9883 14.9883 17.5959 17.5969 k = 0.5000 0.3823 0.5029 ( 2644 PWs) bands (ev): -48.7943 -48.7943 -48.7943 -48.7943 -24.7071 -24.7071 -24.6926 -24.6926 -22.3846 -22.3846 -22.3548 -22.3548 -22.0778 -22.0778 -22.0580 -22.0580 -6.5290 -6.5290 -6.4888 -6.4888 -5.2265 -5.2265 -5.2018 -5.2018 5.5381 5.5381 5.5629 5.5629 6.4048 6.4048 6.4214 6.4214 7.9800 7.9800 7.9952 7.9952 8.3270 8.3270 8.3705 8.3705 8.8495 8.8495 8.8745 8.8745 10.0306 10.0306 10.0384 10.0384 12.8944 12.8944 12.9146 12.9146 13.8617 13.8617 13.8853 13.8853 15.0114 15.0114 15.0174 15.0174 17.5908 17.5914 k = 0.5000 0.3670 0.5029 ( 2646 PWs) bands (ev): -48.7967 -48.7967 -48.7966 -48.7966 -24.7033 -24.7033 -24.6891 -24.6891 -22.3818 -22.3818 -22.3538 -22.3538 -22.0670 -22.0670 -22.0481 -22.0481 -6.5435 -6.5435 -6.5045 -6.5045 -5.2237 -5.2237 -5.1998 -5.1998 5.4999 5.4999 5.5234 5.5234 6.4496 6.4496 6.4662 6.4662 7.9820 7.9820 7.9955 7.9955 8.3814 8.3814 8.4261 8.4261 8.8878 8.8878 8.9142 8.9142 9.9979 9.9979 10.0061 10.0061 12.7961 12.7961 12.8148 12.8148 13.8645 13.8645 13.8867 13.8867 15.0402 15.0402 15.0460 15.0460 17.5868 17.5872 k = 0.5000 0.3517 0.5029 ( 2650 PWs) bands (ev): -48.7990 -48.7990 -48.7990 -48.7990 -24.6996 -24.6996 -24.6858 -24.6858 -22.3795 -22.3795 -22.3532 -22.3532 -22.0557 -22.0557 -22.0377 -22.0377 -6.5581 -6.5581 -6.5203 -6.5203 -5.2207 -5.2207 -5.1976 -5.1976 5.4616 5.4616 5.4838 5.4838 6.4959 6.4959 6.5125 6.5125 7.9784 7.9784 7.9908 7.9908 8.4400 8.4400 8.4858 8.4858 8.9262 8.9262 8.9541 8.9541 9.9646 9.9646 9.9736 9.9736 12.7008 12.7008 12.7183 12.7183 13.8676 13.8676 13.8885 13.8885 15.0683 15.0683 15.0739 15.0739 17.5844 17.5846 k = 0.5000 0.3365 0.5029 ( 2656 PWs) bands (ev): -48.8013 -48.8013 -48.8013 -48.8013 -24.6960 -24.6960 -24.6826 -24.6826 -22.3776 -22.3776 -22.3530 -22.3530 -22.0442 -22.0442 -22.0270 -22.0270 -6.5726 -6.5726 -6.5361 -6.5361 -5.2175 -5.2175 -5.1952 -5.1952 5.4235 5.4235 5.4445 5.4445 6.5436 6.5436 6.5601 6.5601 7.9711 7.9711 7.9827 7.9827 8.5010 8.5010 8.5478 8.5478 8.9643 8.9643 8.9936 8.9936 9.9311 9.9311 9.9408 9.9408 12.6089 12.6089 12.6255 12.6255 13.8710 13.8710 13.8908 13.8908 15.0956 15.0956 15.1010 15.1010 17.5823 17.5825 k = 0.5000 0.3212 0.5029 ( 2656 PWs) bands (ev): -48.8035 -48.8035 -48.8035 -48.8035 -24.6926 -24.6926 -24.6795 -24.6795 -22.3762 -22.3762 -22.3532 -22.3532 -22.0323 -22.0323 -22.0159 -22.0159 -6.5869 -6.5869 -6.5519 -6.5519 -5.2141 -5.2141 -5.1928 -5.1928 5.3856 5.3856 5.4055 5.4055 6.5926 6.5926 6.6089 6.6089 7.9612 7.9612 7.9725 7.9725 8.5629 8.5629 8.6108 8.6108 9.0018 9.0018 9.0323 9.0323 9.8974 9.8974 9.9082 9.9082 12.5203 12.5203 12.5362 12.5362 13.8748 13.8748 13.8936 13.8936 15.1221 15.1221 15.1274 15.1274 17.5816 17.5824 k = 0.5000 0.3059 0.5029 ( 2656 PWs) bands (ev): -48.8057 -48.8057 -48.8057 -48.8057 -24.6893 -24.6893 -24.6767 -24.6767 -22.3750 -22.3750 -22.3536 -22.3536 -22.0202 -22.0202 -22.0047 -22.0047 -6.6011 -6.6011 -6.5674 -6.5674 -5.2107 -5.2107 -5.1902 -5.1902 5.3482 5.3482 5.3671 5.3671 6.6427 6.6427 6.6589 6.6589 7.9498 7.9498 7.9608 7.9608 8.6246 8.6246 8.6736 8.6736 9.0383 9.0383 9.0699 9.0699 9.8638 9.8638 9.8760 9.8760 12.4352 12.4352 12.4506 12.4506 13.8790 13.8790 13.8969 13.8969 15.1477 15.1477 15.1528 15.1528 17.5817 17.5819 k = 0.5000 0.2906 0.5029 ( 2658 PWs) bands (ev): -48.8078 -48.8078 -48.8078 -48.8078 -24.6861 -24.6861 -24.6739 -24.6739 -22.3743 -22.3743 -22.3543 -22.3543 -22.0081 -22.0081 -21.9933 -21.9933 -6.6151 -6.6151 -6.5828 -6.5828 -5.2072 -5.2072 -5.1876 -5.1876 5.3115 5.3115 5.3293 5.3293 6.6939 6.6939 6.7099 6.7099 7.9373 7.9373 7.9484 7.9484 8.6853 8.6853 8.7354 8.7354 9.0736 9.0736 9.1060 9.1060 9.8308 9.8308 9.8446 9.8446 12.3537 12.3537 12.3687 12.3687 13.8836 13.8836 13.9007 13.9007 15.1724 15.1724 15.1774 15.1774 17.5825 17.5828 k = 0.5000 0.2753 0.5029 ( 2658 PWs) bands (ev): -48.8099 -48.8099 -48.8098 -48.8098 -24.6831 -24.6831 -24.6714 -24.6714 -22.3737 -22.3737 -22.3552 -22.3552 -21.9961 -21.9961 -21.9820 -21.9820 -6.6287 -6.6287 -6.5978 -6.5978 -5.2037 -5.2037 -5.1849 -5.1849 5.2756 5.2756 5.2923 5.2923 6.7460 6.7460 6.7617 6.7617 7.9243 7.9243 7.9355 7.9355 8.7442 8.7442 8.7952 8.7952 9.1074 9.1074 9.1401 9.1401 9.7988 9.7988 9.8147 9.8147 12.2758 12.2758 12.2906 12.2906 13.8888 13.8888 13.9050 13.9050 15.1960 15.1960 15.2009 15.2009 17.5839 17.5839 k = 0.5000 0.2600 0.5029 ( 2660 PWs) bands (ev): -48.8118 -48.8118 -48.8118 -48.8118 -24.6802 -24.6802 -24.6690 -24.6690 -22.3735 -22.3735 -22.3562 -22.3562 -21.9841 -21.9841 -21.9708 -21.9708 -6.6419 -6.6419 -6.6125 -6.6125 -5.2002 -5.2002 -5.1823 -5.1823 5.2406 5.2406 5.2564 5.2564 6.7988 6.7988 6.8143 6.8143 7.9110 7.9110 7.9225 7.9225 8.8004 8.8004 8.8521 8.8521 9.1394 9.1394 9.1718 9.1718 9.7684 9.7684 9.7869 9.7869 12.2016 12.2016 12.2162 12.2162 13.8944 13.8944 13.9098 13.9098 15.2186 15.2186 15.2234 15.2234 17.5857 17.5857 k = 0.5000 0.2447 0.5029 ( 2662 PWs) bands (ev): -48.8138 -48.8138 -48.8137 -48.8137 -24.6774 -24.6774 -24.6667 -24.6667 -22.3734 -22.3734 -22.3574 -22.3574 -21.9723 -21.9723 -21.9597 -21.9597 -6.6548 -6.6548 -6.6268 -6.6268 -5.1967 -5.1967 -5.1796 -5.1796 5.2068 5.2068 5.2215 5.2215 6.8522 6.8522 6.8673 6.8673 7.8978 7.8978 7.9095 7.9095 8.8533 8.8533 8.9049 8.9049 9.1693 9.1693 9.2008 9.2008 9.7404 9.7404 9.7621 9.7621 12.1312 12.1312 12.1456 12.1456 13.9005 13.9005 13.9150 13.9150 15.2401 15.2401 15.2448 15.2448 17.5877 17.5878 k = 0.5000 0.2294 0.5029 ( 2658 PWs) bands (ev): -48.8155 -48.8155 -48.8155 -48.8155 -24.6748 -24.6748 -24.6646 -24.6646 -22.3734 -22.3734 -22.3586 -22.3586 -21.9608 -21.9608 -21.9489 -21.9489 -6.6671 -6.6671 -6.6406 -6.6406 -5.1932 -5.1932 -5.1770 -5.1770 5.1743 5.1743 5.1880 5.1880 6.9057 6.9057 6.9205 6.9205 7.8847 7.8847 7.8969 7.8969 8.9018 8.9018 8.9526 8.9526 9.1969 9.1969 9.2267 9.2267 9.7158 9.7158 9.7413 9.7413 12.0646 12.0646 12.0788 12.0788 13.9070 13.9070 13.9208 13.9208 15.2605 15.2605 15.2651 15.2651 17.5898 17.5898 k = 0.5000 0.2141 0.5029 ( 2660 PWs) bands (ev): -48.8172 -48.8172 -48.8172 -48.8172 -24.6724 -24.6724 -24.6627 -24.6627 -22.3736 -22.3736 -22.3598 -22.3598 -21.9496 -21.9496 -21.9384 -21.9384 -6.6788 -6.6788 -6.6538 -6.6538 -5.1898 -5.1898 -5.1745 -5.1745 5.1431 5.1431 5.1559 5.1559 6.9594 6.9594 6.9738 6.9738 7.8720 7.8720 7.8846 7.8846 8.9450 8.9450 8.9938 8.9938 9.2216 9.2216 9.2496 9.2496 9.6959 9.6959 9.7256 9.7256 12.0018 12.0018 12.0158 12.0158 13.9140 13.9140 13.9269 13.9269 15.2797 15.2797 15.2842 15.2842 17.5918 17.5918 k = 0.5000 0.1988 0.5029 ( 2660 PWs) bands (ev): -48.8189 -48.8189 -48.8188 -48.8188 -24.6701 -24.6701 -24.6610 -24.6610 -22.3739 -22.3739 -22.3611 -22.3611 -21.9388 -21.9388 -21.9284 -21.9284 -6.6900 -6.6900 -6.6665 -6.6665 -5.1865 -5.1865 -5.1720 -5.1720 5.1135 5.1135 5.1253 5.1253 7.0127 7.0127 7.0268 7.0268 7.8598 7.8598 7.8728 7.8728 8.9816 8.9816 9.0270 9.0270 9.2431 9.2431 9.2698 9.2698 9.6819 9.6819 9.7159 9.7159 11.9428 11.9428 11.9567 11.9567 13.9213 13.9213 13.9334 13.9334 15.2977 15.2977 15.3020 15.3020 17.5935 17.5935 k = 0.5000 0.1835 0.5029 ( 2660 PWs) bands (ev): -48.8204 -48.8204 -48.8203 -48.8203 -24.6680 -24.6680 -24.6594 -24.6594 -22.3743 -22.3743 -22.3625 -22.3625 -21.9285 -21.9285 -21.9188 -21.9188 -6.7005 -6.7005 -6.6785 -6.6785 -5.1834 -5.1834 -5.1697 -5.1697 5.0855 5.0855 5.0964 5.0964 7.0655 7.0655 7.0792 7.0792 7.8481 7.8481 7.8616 7.8616 9.0104 9.0104 9.0511 9.0511 9.2613 9.2613 9.2884 9.2884 9.6748 9.6748 9.7127 9.7127 11.8877 11.8877 11.9014 11.9014 13.9288 13.9288 13.9402 13.9402 15.3144 15.3144 15.3187 15.3187 17.5948 17.5949 k = 0.5000 0.1682 0.5029 ( 2654 PWs) bands (ev): -48.8217 -48.8217 -48.8217 -48.8217 -24.6660 -24.6660 -24.6580 -24.6580 -22.3747 -22.3747 -22.3637 -22.3637 -21.9188 -21.9188 -21.9098 -21.9098 -6.7103 -6.7103 -6.6898 -6.6898 -5.1804 -5.1804 -5.1675 -5.1675 5.0594 5.0594 5.0694 5.0694 7.1174 7.1174 7.1307 7.1307 7.8370 7.8370 7.8511 7.8511 9.0301 9.0301 9.0654 9.0654 9.2767 9.2767 9.3059 9.3059 9.6751 9.6751 9.7157 9.7157 11.8366 11.8366 11.8501 11.8501 13.9366 13.9366 13.9470 13.9470 15.3300 15.3300 15.3340 15.3340 17.5957 17.5957 k = 0.5000 0.1529 0.5029 ( 2652 PWs) bands (ev): -48.8230 -48.8230 -48.8230 -48.8230 -24.6641 -24.6641 -24.6567 -24.6567 -22.3751 -22.3751 -22.3649 -22.3649 -21.9096 -21.9096 -21.9014 -21.9014 -6.7194 -6.7194 -6.7003 -6.7003 -5.1776 -5.1776 -5.1655 -5.1655 5.0352 5.0352 5.0442 5.0442 7.1678 7.1678 7.1808 7.1808 7.8267 7.8267 7.8414 7.8414 9.0402 9.0402 9.0700 9.0700 9.2910 9.2910 9.3225 9.3225 9.6825 9.6825 9.7243 9.7243 11.7895 11.7895 11.8026 11.8026 13.9443 13.9443 13.9539 13.9539 15.3442 15.3442 15.3481 15.3481 17.5960 17.5960 k = 0.5000 0.1376 0.5029 ( 2658 PWs) bands (ev): -48.8243 -48.8243 -48.8242 -48.8242 -24.6625 -24.6625 -24.6556 -24.6556 -22.3755 -22.3755 -22.3661 -22.3661 -21.9012 -21.9012 -21.8937 -21.8937 -6.7277 -6.7277 -6.7100 -6.7100 -5.1750 -5.1750 -5.1636 -5.1636 5.0130 5.0130 5.0211 5.0211 7.2165 7.2165 7.2290 7.2290 7.8171 7.8171 7.8323 7.8323 9.0411 9.0411 9.0661 9.0661 9.3051 9.3051 9.3381 9.3381 9.6958 9.6958 9.7371 9.7371 11.7464 11.7464 11.7592 11.7592 13.9519 13.9519 13.9607 13.9607 15.3572 15.3572 15.3608 15.3608 17.5957 17.5957 k = 0.5000 0.1223 0.5029 ( 2658 PWs) bands (ev): -48.8253 -48.8253 -48.8253 -48.8253 -24.6609 -24.6609 -24.6546 -24.6546 -22.3760 -22.3760 -22.3672 -22.3672 -21.8934 -21.8934 -21.8867 -21.8867 -6.7351 -6.7351 -6.7189 -6.7189 -5.1726 -5.1726 -5.1619 -5.1619 4.9929 4.9929 5.0001 5.0001 7.2627 7.2627 7.2749 7.2749 7.8084 7.8084 7.8241 7.8241 9.0343 9.0343 9.0556 9.0556 9.3195 9.3195 9.3523 9.3523 9.7134 9.7134 9.7525 9.7525 11.7075 11.7075 11.7199 11.7199 13.9594 13.9594 13.9673 13.9673 15.3688 15.3688 15.3722 15.3722 17.5948 17.5949 k = 0.5000 0.1071 0.5029 ( 2656 PWs) bands (ev): -48.8263 -48.8263 -48.8263 -48.8263 -24.6596 -24.6596 -24.6538 -24.6538 -22.3763 -22.3763 -22.3682 -22.3682 -21.8864 -21.8864 -21.8805 -21.8805 -6.7417 -6.7417 -6.7268 -6.7268 -5.1704 -5.1704 -5.1603 -5.1603 4.9750 4.9750 4.9813 4.9813 7.3061 7.3061 7.3177 7.3177 7.8006 7.8006 7.8168 7.8168 9.0221 9.0221 9.0407 9.0407 9.3337 9.3337 9.3650 9.3650 9.7335 9.7335 9.7693 9.7693 11.6728 11.6728 11.6848 11.6848 13.9664 13.9664 13.9734 13.9734 15.3791 15.3791 15.3823 15.3823 17.5935 17.5936 k = 0.5000 0.0918 0.5029 ( 2658 PWs) bands (ev): -48.8271 -48.8271 -48.8271 -48.8271 -24.6584 -24.6584 -24.6531 -24.6531 -22.3767 -22.3767 -22.3692 -22.3692 -21.8802 -21.8802 -21.8751 -21.8751 -6.7475 -6.7475 -6.7339 -6.7339 -5.1685 -5.1685 -5.1590 -5.1590 4.9593 4.9593 4.9648 4.9648 7.3458 7.3458 7.3569 7.3569 7.7937 7.7937 7.8102 7.8102 9.0067 9.0067 9.0234 9.0234 9.3471 9.3471 9.3760 9.3760 9.7543 9.7543 9.7860 9.7860 11.6425 11.6425 11.6540 11.6540 13.9729 13.9729 13.9791 13.9791 15.3881 15.3881 15.3910 15.3910 17.5919 17.5919 k = 0.5000 0.0765 0.5029 ( 2660 PWs) bands (ev): -48.8279 -48.8279 -48.8279 -48.8279 -24.6573 -24.6573 -24.6525 -24.6525 -22.3770 -22.3770 -22.3700 -22.3700 -21.8748 -21.8748 -21.8705 -21.8705 -6.7523 -6.7523 -6.7399 -6.7399 -5.1668 -5.1668 -5.1579 -5.1579 4.9461 4.9461 4.9506 4.9506 7.3814 7.3814 7.3917 7.3917 7.7879 7.7879 7.8045 7.8045 8.9901 8.9901 9.0055 9.0055 9.3592 9.3592 9.3852 9.3852 9.7745 9.7745 9.8015 9.8015 11.6166 11.6166 11.6276 11.6276 13.9787 13.9787 13.9840 13.9840 15.3957 15.3957 15.3984 15.3984 17.5901 17.5902 k = 0.5000 0.0612 0.5029 ( 2654 PWs) bands (ev): -48.8284 -48.8284 -48.8284 -48.8284 -24.6564 -24.6564 -24.6521 -24.6521 -22.3773 -22.3773 -22.3706 -22.3706 -21.8703 -21.8703 -21.8668 -21.8668 -6.7562 -6.7562 -6.7449 -6.7449 -5.1654 -5.1654 -5.1569 -5.1569 4.9352 4.9352 4.9389 4.9389 7.4120 7.4120 7.4213 7.4213 7.7831 7.7831 7.7997 7.7997 8.9742 8.9742 8.9885 8.9885 9.3696 9.3696 9.3926 9.3926 9.7928 9.7928 9.8149 9.8149 11.5953 11.5953 11.6057 11.6057 13.9837 13.9837 13.9882 13.9882 15.4020 15.4020 15.4044 15.4044 17.5883 17.5883 k = 0.5000 0.0459 0.5029 ( 2654 PWs) bands (ev): -48.8288 -48.8288 -48.8288 -48.8288 -24.6557 -24.6557 -24.6518 -24.6518 -22.3775 -22.3775 -22.3711 -22.3711 -21.8667 -21.8667 -21.8639 -21.8639 -6.7593 -6.7593 -6.7489 -6.7489 -5.1643 -5.1643 -5.1562 -5.1562 4.9268 4.9268 4.9296 4.9296 7.4369 7.4369 7.4450 7.4450 7.7794 7.7794 7.7958 7.7958 8.9603 8.9603 8.9739 8.9739 9.3780 9.3780 9.3982 9.3982 9.8085 9.8085 9.8256 9.8256 11.5786 11.5786 11.5885 11.5885 13.9878 13.9878 13.9916 13.9916 15.4069 15.4069 15.4091 15.4091 17.5867 17.5867 k = 0.5000 0.0306 0.5029 ( 2658 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6552 -24.6552 -24.6516 -24.6516 -22.3776 -22.3776 -22.3715 -22.3715 -21.8640 -21.8640 -21.8620 -21.8620 -6.7615 -6.7615 -6.7518 -6.7518 -5.1635 -5.1635 -5.1557 -5.1557 4.9209 4.9209 4.9229 4.9229 7.4556 7.4556 7.4622 7.4622 7.7769 7.7769 7.7929 7.7929 8.9496 8.9496 8.9626 8.9626 9.3842 9.3842 9.4021 9.4021 9.8209 9.8209 9.8330 9.8330 11.5666 11.5666 11.5762 11.5762 13.9908 13.9908 13.9939 13.9939 15.4104 15.4104 15.4124 15.4124 17.5854 17.5855 k = 0.5000 0.0153 0.5029 ( 2654 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6549 -24.6549 -24.6514 -24.6514 -22.3777 -22.3777 -22.3717 -22.3717 -21.8623 -21.8623 -21.8609 -21.8609 -6.7627 -6.7627 -6.7536 -6.7536 -5.1630 -5.1630 -5.1554 -5.1554 4.9174 4.9174 4.9187 4.9187 7.4673 7.4673 7.4725 7.4725 7.7754 7.7754 7.7910 7.7910 8.9428 8.9428 8.9555 8.9555 9.3880 9.3880 9.4043 9.4043 9.8291 9.8291 9.8368 9.8368 11.5594 11.5594 11.5687 11.5687 13.9927 13.9927 13.9953 13.9953 15.4125 15.4125 15.4144 15.4144 17.5846 17.5846 k = 0.5000-0.0000 0.5029 ( 2656 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6548 -24.6548 -24.6514 -24.6514 -22.3777 -22.3777 -22.3718 -22.3718 -21.8617 -21.8617 -21.8606 -21.8606 -6.7632 -6.7632 -6.7541 -6.7541 -5.1629 -5.1629 -5.1553 -5.1553 4.9163 4.9163 4.9173 4.9173 7.4713 7.4713 7.4759 7.4759 7.7749 7.7749 7.7904 7.7904 8.9405 8.9405 8.9531 8.9531 9.3893 9.3893 9.4051 9.4051 9.8323 9.8323 9.8377 9.8377 11.5570 11.5570 11.5662 11.5662 13.9934 13.9934 13.9958 13.9958 15.4133 15.4133 15.4151 15.4151 17.5843 17.5843 k = 0.5000-0.0000 0.5029 ( 2656 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6548 -24.6548 -24.6514 -24.6514 -22.3777 -22.3777 -22.3718 -22.3718 -21.8617 -21.8617 -21.8606 -21.8606 -6.7632 -6.7632 -6.7541 -6.7541 -5.1629 -5.1629 -5.1553 -5.1553 4.9163 4.9163 4.9173 4.9173 7.4713 7.4713 7.4759 7.4759 7.7749 7.7749 7.7904 7.7904 8.9405 8.9405 8.9531 8.9531 9.3893 9.3893 9.4051 9.4051 9.8323 9.8323 9.8377 9.8377 11.5570 11.5570 11.5662 11.5662 13.9934 13.9934 13.9958 13.9958 15.4133 15.4133 15.4151 15.4151 17.5843 17.5843 k = 0.5000-0.0000 0.4877 ( 2658 PWs) bands (ev): -48.8295 -48.8295 -48.8295 -48.8295 -24.6548 -24.6548 -24.6514 -24.6514 -22.3777 -22.3777 -22.3718 -22.3718 -21.8618 -21.8618 -21.8605 -21.8605 -6.7628 -6.7628 -6.7537 -6.7537 -5.1635 -5.1635 -5.1559 -5.1559 4.9178 4.9178 4.9190 4.9190 7.4703 7.4703 7.4751 7.4751 7.7730 7.7730 7.7885 7.7885 8.9425 8.9425 8.9553 8.9553 9.3863 9.3863 9.4021 9.4021 9.8311 9.8311 9.8396 9.8396 11.5588 11.5588 11.5686 11.5686 13.9954 13.9954 13.9979 13.9979 15.4122 15.4122 15.4144 15.4144 17.5834 17.5834 k = 0.5000-0.0000 0.4725 ( 2662 PWs) bands (ev): -48.8295 -48.8295 -48.8295 -48.8295 -24.6549 -24.6549 -24.6513 -24.6513 -22.3777 -22.3777 -22.3718 -22.3718 -21.8620 -21.8620 -21.8605 -21.8605 -6.7616 -6.7616 -6.7525 -6.7525 -5.1653 -5.1653 -5.1575 -5.1575 4.9224 4.9224 4.9240 4.9240 7.4672 7.4672 7.4724 7.4724 7.7674 7.7674 7.7832 7.7832 8.9479 8.9479 8.9614 8.9614 9.3777 9.3777 9.3939 9.3939 9.8294 9.8294 9.8431 9.8431 11.5642 11.5642 11.5758 11.5758 14.0013 14.0013 14.0040 14.0040 15.4092 15.4092 15.4124 15.4124 17.5805 17.5805 k = 0.5000-0.0000 0.4572 ( 2656 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6549 -24.6549 -24.6512 -24.6512 -22.3777 -22.3777 -22.3717 -22.3717 -21.8622 -21.8622 -21.8604 -21.8604 -6.7597 -6.7597 -6.7505 -6.7505 -5.1683 -5.1683 -5.1602 -5.1602 4.9301 4.9301 4.9322 4.9322 7.4619 7.4619 7.4677 7.4677 7.7588 7.7588 7.7748 7.7748 8.9554 8.9554 8.9701 8.9701 9.3655 9.3655 9.3817 9.3817 9.8279 9.8279 9.8465 9.8465 11.5735 11.5735 11.5873 11.5873 14.0112 14.0112 14.0142 14.0142 15.4045 15.4045 15.4087 15.4087 17.5756 17.5756 k = 0.5000-0.0000 0.4420 ( 2650 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6549 -24.6549 -24.6510 -24.6510 -22.3777 -22.3777 -22.3716 -22.3716 -21.8625 -21.8625 -21.8602 -21.8602 -6.7571 -6.7571 -6.7477 -6.7477 -5.1725 -5.1725 -5.1641 -5.1641 4.9409 4.9409 4.9435 4.9435 7.4542 7.4542 7.4606 7.4606 7.7479 7.7479 7.7642 7.7642 8.9624 8.9624 8.9788 8.9788 9.3526 9.3526 9.3682 9.3682 9.8263 9.8263 9.8490 9.8490 11.5866 11.5866 11.6027 11.6027 14.0249 14.0249 14.0283 14.0283 15.3980 15.3980 15.4035 15.4035 17.5688 17.5689 k = 0.5000-0.0000 0.4267 ( 2652 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6550 -24.6550 -24.6508 -24.6508 -22.3777 -22.3777 -22.3714 -22.3714 -21.8629 -21.8629 -21.8602 -21.8602 -6.7537 -6.7537 -6.7442 -6.7442 -5.1779 -5.1779 -5.1690 -5.1690 4.9548 4.9548 4.9580 4.9580 7.4437 7.4437 7.4507 7.4507 7.7358 7.7358 7.7524 7.7524 8.9653 8.9653 8.9841 8.9841 9.3430 9.3430 9.3571 9.3571 9.8241 9.8241 9.8500 9.8500 11.6033 11.6033 11.6217 11.6217 14.0423 14.0423 14.0462 14.0462 15.3899 15.3899 15.3967 15.3967 17.5600 17.5600 k = 0.5000-0.0000 0.4115 ( 2658 PWs) bands (ev): -48.8295 -48.8295 -48.8295 -48.8295 -24.6551 -24.6551 -24.6506 -24.6506 -22.3777 -22.3777 -22.3713 -22.3713 -21.8633 -21.8633 -21.8602 -21.8602 -6.7496 -6.7496 -6.7399 -6.7399 -5.1843 -5.1843 -5.1749 -5.1749 4.9719 4.9719 4.9756 4.9756 7.4302 7.4302 7.4377 7.4377 7.7236 7.7236 7.7403 7.7403 8.9602 8.9602 8.9816 8.9816 9.3408 9.3408 9.3530 9.3530 9.8207 9.8207 9.8490 9.8490 11.6233 11.6233 11.6438 11.6438 14.0633 14.0633 14.0677 14.0677 15.3801 15.3801 15.3882 15.3882 17.5492 17.5492 k = 0.5000-0.0000 0.3963 ( 2652 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6551 -24.6551 -24.6503 -24.6503 -22.3776 -22.3776 -22.3711 -22.3711 -21.8637 -21.8637 -21.8602 -21.8602 -6.7448 -6.7448 -6.7348 -6.7348 -5.1917 -5.1917 -5.1818 -5.1818 4.9919 4.9919 4.9962 4.9962 7.4134 7.4134 7.4212 7.4212 7.7120 7.7120 7.7289 7.7289 8.9439 8.9439 8.9677 8.9677 9.3495 9.3495 9.3596 9.3596 9.8158 9.8158 9.8458 9.8458 11.6463 11.6463 11.6687 11.6687 14.0877 14.0877 14.0926 14.0926 15.3689 15.3689 15.3783 15.3783 17.5363 17.5363 k = 0.5000-0.0000 0.3810 ( 2644 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6552 -24.6552 -24.6500 -24.6500 -22.3776 -22.3776 -22.3709 -22.3709 -21.8641 -21.8641 -21.8602 -21.8602 -6.7393 -6.7393 -6.7291 -6.7291 -5.2002 -5.2002 -5.1897 -5.1897 5.0149 5.0149 5.0198 5.0198 7.3933 7.3933 7.4012 7.4012 7.7019 7.7019 7.7188 7.7188 8.9157 8.9157 8.9411 8.9411 9.3699 9.3699 9.3781 9.3781 9.8092 9.8092 9.8400 9.8400 11.6719 11.6719 11.6959 11.6959 14.1151 14.1151 14.1208 14.1208 15.3561 15.3561 15.3670 15.3670 17.5212 17.5212 k = 0.5000-0.0000 0.3658 ( 2646 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6553 -24.6553 -24.6497 -24.6497 -22.3775 -22.3775 -22.3707 -22.3707 -21.8646 -21.8646 -21.8603 -21.8603 -6.7332 -6.7332 -6.7227 -6.7227 -5.2096 -5.2096 -5.1986 -5.1986 5.0409 5.0409 5.0463 5.0463 7.3700 7.3700 7.3779 7.3779 7.6934 7.6934 7.7104 7.7104 8.8768 8.8768 8.9033 8.9033 9.4006 9.4006 9.4074 9.4074 9.8007 9.8007 9.8319 9.8319 11.6998 11.6998 11.7250 11.7250 14.1455 14.1455 14.1519 14.1519 15.3419 15.3419 15.3543 15.3543 17.5040 17.5040 k = 0.5000-0.0000 0.3505 ( 2640 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6553 -24.6553 -24.6494 -24.6494 -22.3775 -22.3775 -22.3705 -22.3705 -21.8651 -21.8651 -21.8603 -21.8603 -6.7264 -6.7264 -6.7157 -6.7157 -5.2198 -5.2198 -5.2082 -5.2082 5.0697 5.0697 5.0756 5.0756 7.3440 7.3440 7.3516 7.3516 7.6867 7.6867 7.7036 7.7036 8.8296 8.8296 8.8567 8.8567 9.4393 9.4393 9.4451 9.4451 9.7904 9.7904 9.8215 9.8215 11.7294 11.7294 11.7556 11.7556 14.1785 14.1785 14.1858 14.1858 15.3263 15.3263 15.3405 15.3405 17.4847 17.4847 k = 0.5000-0.0000 0.3353 ( 2638 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6553 -24.6553 -24.6491 -24.6491 -22.3774 -22.3774 -22.3702 -22.3702 -21.8656 -21.8656 -21.8605 -21.8605 -6.7191 -6.7191 -6.7082 -6.7082 -5.2308 -5.2308 -5.2187 -5.2187 5.1013 5.1013 5.1077 5.1077 7.3155 7.3155 7.3229 7.3229 7.6814 7.6814 7.6985 7.6985 8.7763 8.7763 8.8036 8.8036 9.4837 9.4837 9.4887 9.4887 9.7785 9.7785 9.8090 9.8090 11.7604 11.7604 11.7873 11.7873 14.2136 14.2136 14.2221 14.2221 15.3096 15.3096 15.3255 15.3255 17.4631 17.4632 k = 0.5000-0.0000 0.3201 ( 2638 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6488 -24.6488 -22.3773 -22.3773 -22.3700 -22.3700 -21.8661 -21.8661 -21.8606 -21.8606 -6.7112 -6.7112 -6.7001 -6.7001 -5.2425 -5.2425 -5.2299 -5.2299 5.1355 5.1355 5.1424 5.1424 7.2853 7.2853 7.2923 7.2923 7.6773 7.6773 7.6946 7.6946 8.7186 8.7186 8.7462 8.7462 9.5318 9.5318 9.5362 9.5362 9.7655 9.7655 9.7949 9.7949 11.7924 11.7924 11.8196 11.8196 14.2507 14.2507 14.2605 14.2605 15.2919 15.2919 15.3097 15.3097 17.4395 17.4396 k = 0.5000-0.0000 0.3048 ( 2634 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6484 -24.6484 -22.3772 -22.3772 -22.3697 -22.3697 -21.8666 -21.8666 -21.8608 -21.8608 -6.7029 -6.7029 -6.6915 -6.6915 -5.2548 -5.2548 -5.2417 -5.2417 5.1723 5.1723 5.1796 5.1796 7.2538 7.2538 7.2604 7.2604 7.6738 7.6738 7.6916 7.6916 8.6581 8.6581 8.6858 8.6858 9.5813 9.5813 9.5857 9.5857 9.7524 9.7524 9.7799 9.7799 11.8249 11.8249 11.8524 11.8524 14.2893 14.2893 14.3007 14.3007 15.2733 15.2733 15.2933 15.2933 17.4137 17.4137 k = 0.5000-0.0000 0.2896 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6481 -24.6481 -22.3772 -22.3772 -22.3695 -22.3695 -21.8671 -21.8671 -21.8610 -21.8610 -6.6941 -6.6941 -6.6825 -6.6825 -5.2676 -5.2676 -5.2541 -5.2541 5.2116 5.2116 5.2193 5.2193 7.2214 7.2214 7.2277 7.2277 7.6704 7.6704 7.6889 7.6889 8.5960 8.5960 8.6239 8.6239 9.6283 9.6283 9.6351 9.6351 9.7421 9.7421 9.7656 9.7656 11.8577 11.8577 11.8851 11.8851 14.3289 14.3289 14.3423 14.3423 15.2541 15.2541 15.2765 15.2765 17.3859 17.3860 k = 0.5000-0.0000 0.2743 ( 2634 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6478 -24.6478 -22.3770 -22.3770 -22.3693 -22.3693 -21.8676 -21.8676 -21.8612 -21.8612 -6.6849 -6.6849 -6.6732 -6.6732 -5.2808 -5.2808 -5.2670 -5.2670 5.2532 5.2532 5.2613 5.2613 7.1885 7.1885 7.1946 7.1946 7.6667 7.6667 7.6860 7.6860 8.5333 8.5333 8.5616 8.5616 9.6612 9.6612 9.6779 9.6779 9.7447 9.7447 9.7590 9.7590 11.8905 11.8905 11.9176 11.9176 14.3691 14.3691 14.3849 14.3849 15.2345 15.2345 15.2598 15.2598 17.3562 17.3563 k = 0.5000-0.0000 0.2591 ( 2634 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6475 -24.6475 -22.3770 -22.3770 -22.3690 -22.3690 -21.8681 -21.8681 -21.8614 -21.8614 -6.6754 -6.6754 -6.6636 -6.6636 -5.2944 -5.2944 -5.2802 -5.2802 5.2970 5.2970 5.3054 5.3054 7.1556 7.1556 7.1614 7.1614 7.6619 7.6619 7.6824 7.6824 8.4710 8.4710 8.4997 8.4997 9.6655 9.6655 9.6928 9.6928 9.7735 9.7735 9.7816 9.7816 11.9228 11.9228 11.9494 11.9494 14.4093 14.4093 14.4280 14.4280 15.2150 15.2150 15.2434 15.2434 17.3248 17.3248 k = 0.5000-0.0000 0.2439 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6472 -24.6472 -22.3769 -22.3769 -22.3688 -22.3688 -21.8686 -21.8686 -21.8616 -21.8616 -6.6657 -6.6657 -6.6539 -6.6539 -5.3082 -5.3082 -5.2937 -5.2937 5.3427 5.3427 5.3515 5.3515 7.1228 7.1228 7.1285 7.1285 7.6557 7.6557 7.6772 7.6772 8.4103 8.4103 8.4394 8.4394 9.6532 9.6532 9.6818 9.6818 9.8202 9.8202 9.8272 9.8272 11.9544 11.9544 11.9805 11.9805 14.4489 14.4489 14.4711 14.4711 15.1958 15.1958 15.2280 15.2280 17.2918 17.2921 k = 0.5000-0.0000 0.2286 ( 2634 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6469 -24.6469 -22.3767 -22.3767 -22.3686 -22.3686 -21.8691 -21.8691 -21.8619 -21.8619 -6.6558 -6.6558 -6.6440 -6.6440 -5.3220 -5.3220 -5.3073 -5.3073 5.3904 5.3904 5.3995 5.3995 7.0904 7.0904 7.0959 7.0959 7.6471 7.6471 7.6699 7.6699 8.3520 8.3520 8.3817 8.3817 9.6358 9.6358 9.6636 9.6636 9.8718 9.8718 9.8780 9.8780 11.9852 11.9852 12.0106 12.0106 14.4872 14.4872 14.5135 14.5135 15.1775 15.1775 15.2140 15.2140 17.2576 17.2576 k = 0.5000-0.0000 0.2134 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6466 -24.6466 -22.3766 -22.3766 -22.3684 -22.3684 -21.8695 -21.8695 -21.8622 -21.8622 -6.6458 -6.6458 -6.6340 -6.6340 -5.3358 -5.3358 -5.3210 -5.3210 5.4396 5.4396 5.4490 5.4490 7.0585 7.0585 7.0639 7.0639 7.6357 7.6357 7.6596 7.6596 8.2975 8.2975 8.3276 8.3276 9.6166 9.6166 9.6433 9.6433 9.9240 9.9240 9.9296 9.9296 12.0149 12.0149 12.0394 12.0394 14.5235 14.5235 14.5546 14.5546 15.1606 15.1606 15.2021 15.2021 17.2223 17.2224 k = 0.5000-0.0000 0.1981 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6463 -24.6463 -22.3765 -22.3765 -22.3682 -22.3682 -21.8700 -21.8700 -21.8624 -21.8624 -6.6358 -6.6358 -6.6242 -6.6242 -5.3494 -5.3494 -5.3345 -5.3345 5.4903 5.4903 5.4998 5.4998 7.0271 7.0271 7.0325 7.0325 7.6208 7.6208 7.6454 7.6454 8.2478 8.2478 8.2780 8.2780 9.5967 9.5967 9.6223 9.6223 9.9753 9.9753 9.9805 9.9805 12.0432 12.0432 12.0668 12.0668 14.5570 14.5570 14.5936 14.5936 15.1458 15.1458 15.1930 15.1930 17.1864 17.1869 k = 0.5000-0.0000 0.1829 ( 2632 PWs) bands (ev): -48.8291 -48.8291 -48.8291 -48.8291 -24.6555 -24.6555 -24.6460 -24.6460 -22.3764 -22.3764 -22.3680 -22.3680 -21.8704 -21.8704 -21.8627 -21.8627 -6.6260 -6.6260 -6.6144 -6.6144 -5.3628 -5.3628 -5.3478 -5.3478 5.5420 5.5420 5.5518 5.5518 6.9965 6.9965 7.0017 7.0017 7.6019 7.6019 7.6269 7.6269 8.2039 8.2039 8.2338 8.2338 9.5768 9.5768 9.6014 9.6014 10.0250 10.0250 10.0297 10.0297 12.0701 12.0701 12.0926 12.0926 14.5869 14.5869 14.6295 14.6295 15.1340 15.1340 15.1873 15.1873 17.1503 17.1513 k = 0.5000-0.0000 0.1676 ( 2634 PWs) bands (ev): -48.8291 -48.8291 -48.8291 -48.8291 -24.6555 -24.6555 -24.6458 -24.6458 -22.3762 -22.3762 -22.3678 -22.3678 -21.8708 -21.8708 -21.8629 -21.8629 -6.6163 -6.6163 -6.6050 -6.6050 -5.3757 -5.3757 -5.3608 -5.3608 5.5946 5.5946 5.6045 5.6045 6.9664 6.9664 6.9717 6.9717 7.5789 7.5789 7.6037 7.6037 8.1665 8.1665 8.1956 8.1956 9.5573 9.5573 9.5809 9.5809 10.0726 10.0726 10.0769 10.0769 12.0953 12.0953 12.1167 12.1167 14.6125 14.6125 14.6613 14.6613 15.1258 15.1258 15.1856 15.1856 17.1140 17.1161 k = 0.5000-0.0000 0.1524 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6455 -24.6455 -22.3761 -22.3761 -22.3677 -22.3677 -21.8712 -21.8712 -21.8632 -21.8632 -6.6070 -6.6070 -6.5959 -6.5959 -5.3881 -5.3881 -5.3732 -5.3732 5.6477 5.6477 5.6576 5.6576 6.9371 6.9371 6.9424 6.9424 7.5520 7.5520 7.5759 7.5759 8.1359 8.1359 8.1635 8.1635 9.5385 9.5385 9.5611 9.5611 10.1176 10.1176 10.1216 10.1216 12.1188 12.1188 12.1390 12.1390 14.6333 14.6333 14.6882 14.6882 15.1221 15.1221 15.1882 15.1882 17.0783 17.0785 k = 0.5000-0.0000 0.1372 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6555 -24.6555 -24.6453 -24.6453 -22.3760 -22.3760 -22.3675 -22.3675 -21.8716 -21.8716 -21.8634 -21.8634 -6.5981 -6.5981 -6.5873 -6.5873 -5.3998 -5.3998 -5.3851 -5.3851 5.7006 5.7006 5.7106 5.7106 6.9084 6.9084 6.9137 6.9137 7.5220 7.5220 7.5444 7.5444 8.1119 8.1119 8.1375 8.1375 9.5206 9.5206 9.5424 9.5424 10.1596 10.1596 10.1632 10.1632 12.1404 12.1404 12.1594 12.1594 14.6492 14.6492 14.7094 14.7094 15.1233 15.1233 15.1949 15.1949 17.0437 17.0438 k = 0.5000-0.0000 0.1219 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6451 -24.6451 -22.3759 -22.3759 -22.3674 -22.3674 -21.8719 -21.8719 -21.8636 -21.8636 -6.5896 -6.5896 -6.5793 -6.5793 -5.4107 -5.4107 -5.3961 -5.3961 5.7531 5.7531 5.7629 5.7629 6.8803 6.8803 6.8856 6.8856 7.4900 7.4900 7.5105 7.5105 8.0937 8.0937 8.1170 8.1170 9.5039 9.5039 9.5249 9.5249 10.1982 10.1982 10.2015 10.2015 12.1600 12.1600 12.1778 12.1778 14.6604 14.6604 14.7248 14.7248 15.1292 15.1292 15.2054 15.2054 17.0106 17.0122 k = 0.5000-0.0000 0.1067 ( 2638 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6449 -24.6449 -22.3758 -22.3758 -22.3673 -22.3673 -21.8722 -21.8722 -21.8638 -21.8638 -6.5819 -6.5819 -6.5719 -6.5719 -5.4206 -5.4206 -5.4063 -5.4063 5.8042 5.8042 5.8138 5.8138 6.8529 6.8529 6.8582 6.8582 7.4573 7.4573 7.4756 7.4756 8.0804 8.0804 8.1012 8.1012 9.4887 9.4887 9.5089 9.5089 10.2332 10.2332 10.2362 10.2362 12.1775 12.1775 12.1942 12.1942 14.6675 14.6675 14.7348 14.7348 15.1393 15.1393 15.2188 15.2188 16.9795 16.9893 k = 0.5000-0.0000 0.0914 ( 2632 PWs) bands (ev): -48.8291 -48.8291 -48.8291 -48.8291 -24.6554 -24.6554 -24.6448 -24.6448 -22.3757 -22.3757 -22.3672 -22.3672 -21.8724 -21.8724 -21.8640 -21.8640 -6.5749 -6.5749 -6.5653 -6.5653 -5.4295 -5.4295 -5.4154 -5.4154 5.8532 5.8532 5.8625 5.8625 6.8264 6.8264 6.8316 6.8316 7.4255 7.4255 7.4414 7.4414 8.0712 8.0712 8.0892 8.0892 9.4750 9.4750 9.4946 9.4946 10.2642 10.2642 10.2669 10.2669 12.1929 12.1929 12.2084 12.2084 14.6713 14.6713 14.7404 14.7404 15.1522 15.1522 15.2338 15.2338 16.9511 16.9518 k = 0.5000-0.0000 0.0762 ( 2636 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6446 -24.6446 -22.3756 -22.3756 -22.3671 -22.3671 -21.8726 -21.8726 -21.8642 -21.8642 -6.5687 -6.5687 -6.5596 -6.5596 -5.4372 -5.4372 -5.4234 -5.4234 5.8990 5.8990 5.9078 5.9078 6.8013 6.8013 6.8063 6.8063 7.3960 7.3960 7.4095 7.4095 8.0649 8.0649 8.0804 8.0804 9.4631 9.4631 9.4821 9.4821 10.2910 10.2910 10.2933 10.2933 12.2061 12.2061 12.2204 12.2204 14.6728 14.6728 14.7426 14.7426 15.1664 15.1664 15.2492 15.2492 16.9260 16.9300 k = 0.5000-0.0000 0.0610 ( 2640 PWs) bands (ev): -48.8292 -48.8292 -48.8292 -48.8292 -24.6554 -24.6554 -24.6445 -24.6445 -22.3756 -22.3756 -22.3670 -22.3670 -21.8728 -21.8728 -21.8643 -21.8643 -6.5635 -6.5635 -6.5548 -6.5548 -5.4437 -5.4437 -5.4301 -5.4301 5.9403 5.9403 5.9483 5.9483 6.7782 6.7782 6.7828 6.7828 7.3701 7.3701 7.3814 7.3814 8.0609 8.0609 8.0739 8.0739 9.4532 9.4532 9.4717 9.4717 10.3132 10.3132 10.3153 10.3153 12.2170 12.2170 12.2303 12.2303 14.6727 14.6727 14.7428 14.7428 15.1804 15.1804 15.2638 15.2638 16.9046 16.9105 k = 0.5000-0.0000 0.0457 ( 2646 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6554 -24.6554 -24.6445 -24.6445 -22.3755 -22.3755 -22.3670 -22.3670 -21.8730 -21.8730 -21.8644 -21.8644 -6.5593 -6.5593 -6.5510 -6.5510 -5.4488 -5.4488 -5.4354 -5.4354 5.9754 5.9754 5.9825 5.9825 6.7581 6.7581 6.7622 6.7622 7.3490 7.3490 7.3582 7.3582 8.0586 8.0586 8.0693 8.0693 9.4453 9.4453 9.4634 9.4634 10.3308 10.3308 10.3325 10.3325 12.2255 12.2255 12.2380 12.2380 14.6719 14.6719 14.7420 14.7420 15.1928 15.1928 15.2765 15.2765 16.8877 16.8931 k = 0.5000-0.0000 0.0305 ( 2646 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6554 -24.6554 -24.6444 -24.6444 -22.3755 -22.3755 -22.3670 -22.3670 -21.8731 -21.8731 -21.8645 -21.8645 -6.5563 -6.5563 -6.5482 -6.5482 -5.4525 -5.4525 -5.4393 -5.4393 6.0026 6.0026 6.0087 6.0087 6.7425 6.7425 6.7457 6.7457 7.3334 7.3334 7.3408 7.3408 8.0573 8.0573 8.0662 8.0662 9.4396 9.4396 9.4574 9.4574 10.3435 10.3435 10.3450 10.3450 12.2316 12.2316 12.2434 12.2434 14.6709 14.6709 14.7408 14.7408 15.2024 15.2024 15.2862 15.2862 16.8761 16.8833 k = 0.5000-0.0000 0.0152 ( 2646 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6554 -24.6554 -24.6444 -24.6444 -22.3755 -22.3755 -22.3669 -22.3669 -21.8731 -21.8731 -21.8646 -21.8646 -6.5545 -6.5545 -6.5465 -6.5465 -5.4548 -5.4548 -5.4416 -5.4416 6.0199 6.0199 6.0251 6.0251 6.7325 6.7325 6.7348 6.7348 7.3240 7.3240 7.3301 7.3301 8.0568 8.0568 8.0643 8.0643 9.4362 9.4362 9.4538 9.4538 10.3511 10.3511 10.3525 10.3525 12.2353 12.2353 12.2467 12.2467 14.6701 14.6701 14.7399 14.7399 15.2086 15.2086 15.2924 15.2924 16.8689 16.8735 k = 0.5000-0.0000-0.0000 ( 2644 PWs) bands (ev): -48.8293 -48.8293 -48.8293 -48.8293 -24.6554 -24.6554 -24.6444 -24.6444 -22.3755 -22.3755 -22.3669 -22.3669 -21.8731 -21.8731 -21.8646 -21.8646 -6.5538 -6.5538 -6.5460 -6.5460 -5.4555 -5.4555 -5.4424 -5.4424 6.0259 6.0259 6.0307 6.0307 6.7292 6.7292 6.7309 6.7309 7.3208 7.3208 7.3264 7.3264 8.0567 8.0567 8.0637 8.0637 9.4350 9.4350 9.4526 9.4526 10.3537 10.3537 10.3550 10.3550 12.2366 12.2366 12.2478 12.2478 14.6699 14.6699 14.7396 14.7396 15.2107 15.2107 15.2944 15.2944 16.8661 16.8706 k = 0.0000 0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6746 -24.6746 -24.6243 -24.6243 -22.4113 -22.4113 -22.3301 -22.3301 -21.8857 -21.8857 -21.8538 -21.8538 -6.7020 -6.7020 -6.3362 -6.3362 -5.7150 -5.7150 -5.2429 -5.2429 5.8189 5.8189 6.2051 6.2051 6.4947 6.4947 6.9750 6.9750 7.0513 7.0513 7.7118 7.7118 8.0444 8.0444 8.1740 8.1740 9.2156 9.2156 9.6373 9.6373 9.7039 9.7039 10.8951 10.8951 12.2231 12.2231 12.2847 12.2847 14.4702 14.4702 14.9662 14.9662 15.1133 15.1133 15.3140 15.3140 16.7977 16.7977 k = 0.0152-0.0000 0.5029 ( 2638 PWs) bands (ev): -48.8328 -48.8328 -48.8257 -48.8257 -24.6746 -24.6745 -24.6244 -24.6242 -22.4115 -22.4110 -22.3302 -22.3302 -21.8857 -21.8856 -21.8539 -21.8537 -6.7028 -6.7017 -6.3378 -6.3374 -5.7136 -5.7131 -5.2431 -5.2420 5.8143 5.8150 6.1988 6.2004 6.4927 6.4929 6.9788 6.9814 7.0577 7.0611 7.7121 7.7131 8.0441 8.0448 8.1735 8.1762 9.2166 9.2175 9.6347 9.6378 9.7023 9.7042 10.8923 10.8925 12.2213 12.2225 12.2832 12.2839 14.4711 14.4717 14.9631 14.9646 15.1093 15.1145 15.3094 15.3172 16.8003 16.8007 k = 0.0303-0.0000 0.5029 ( 2638 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6746 -24.6743 -24.6246 -24.6242 -22.4116 -22.4107 -22.3304 -22.3303 -21.8857 -21.8855 -21.8540 -21.8536 -6.7041 -6.7020 -6.3422 -6.3414 -5.7090 -5.7079 -5.2424 -5.2403 5.8014 5.8028 6.1816 6.1848 6.4885 6.4885 6.9923 6.9971 7.0797 7.0861 7.7139 7.7159 8.0439 8.0455 8.1746 8.1801 9.2206 9.2225 9.6298 9.6358 9.7000 9.7035 10.8841 10.8844 12.2171 12.2194 12.2795 12.2808 14.4741 14.4753 14.9555 14.9583 15.1025 15.1128 15.3038 15.3191 16.8085 16.8093 k = 0.0455-0.0000 0.5029 ( 2640 PWs) bands (ev): -48.8328 -48.8328 -48.8257 -48.8257 -24.6746 -24.6741 -24.6249 -24.6243 -22.4117 -22.4102 -22.3307 -22.3306 -21.8855 -21.8852 -21.8540 -21.8535 -6.7060 -6.7028 -6.3492 -6.3481 -5.7012 -5.6997 -5.2410 -5.2378 5.7809 5.7829 6.1539 6.1584 6.4844 6.4846 7.0141 7.0208 7.1150 7.1236 7.7172 7.7202 8.0442 8.0464 8.1776 8.1858 9.2276 9.2304 9.6214 9.6294 9.6987 9.7031 10.8705 10.8710 12.2104 12.2139 12.2734 12.2753 14.4790 14.4810 14.9436 14.9478 15.0926 15.1073 15.2983 15.3201 16.8222 16.8233 k = 0.0606-0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6745 -24.6739 -24.6252 -24.6245 -22.4116 -22.4097 -22.3311 -22.3309 -21.8853 -21.8849 -21.8541 -21.8534 -6.7084 -6.7042 -6.3585 -6.3572 -5.6905 -5.6886 -5.2388 -5.2347 5.7538 5.7563 6.1165 6.1222 6.4829 6.4834 7.0429 7.0511 7.1604 7.1705 7.7217 7.7257 8.0451 8.0481 8.1826 8.1935 9.2374 9.2411 9.6082 9.6171 9.7002 9.7043 10.8517 10.8524 12.2013 12.2060 12.2650 12.2677 14.4853 14.4882 14.9281 14.9337 15.0789 15.0971 15.2939 15.3211 16.8409 16.8422 k = 0.0758-0.0000 0.5029 ( 2634 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6744 -24.6736 -24.6256 -24.6247 -22.4115 -22.4091 -22.3316 -22.3314 -21.8850 -21.8845 -21.8542 -21.8533 -6.7112 -6.7060 -6.3700 -6.3684 -5.6773 -5.6751 -5.2359 -5.2308 5.7211 5.7241 6.0713 6.0779 6.4854 6.4862 7.0774 7.0867 7.2123 7.2235 7.7274 7.7323 8.0471 8.0508 8.1901 8.2035 9.2499 9.2545 9.5895 9.5983 9.7049 9.7079 10.8278 10.8286 12.1898 12.1957 12.2544 12.2577 14.4924 14.4963 14.9100 14.9169 15.0611 15.0812 15.2921 15.3229 16.8642 16.8655 k = 0.0909-0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8327 -48.8327 -48.8257 -48.8257 -24.6742 -24.6733 -24.6261 -24.6251 -22.4113 -22.4085 -22.3323 -22.3320 -21.8846 -21.8840 -21.8543 -21.8533 -6.7144 -6.7083 -6.3832 -6.3815 -5.6618 -5.6593 -5.2324 -5.2263 5.6841 5.6874 6.0202 6.0274 6.4921 6.4931 7.1163 7.1266 7.2681 7.2799 7.7340 7.7396 8.0509 8.0552 8.2002 8.2162 9.2650 9.2704 9.5654 9.5737 9.7125 9.7139 10.7990 10.7999 12.1760 12.1831 12.2416 12.2455 14.4992 14.5044 14.8905 14.8988 15.0387 15.0594 15.2934 15.3261 16.8917 16.8928 k = 0.1061-0.0000 0.5029 ( 2634 PWs) bands (ev): -48.8325 -48.8325 -48.8258 -48.8258 -24.6740 -24.6730 -24.6266 -24.6254 -22.4110 -22.4078 -22.3331 -22.3326 -21.8841 -21.8835 -21.8544 -21.8532 -6.7181 -6.7111 -6.3978 -6.3961 -5.6444 -5.6417 -5.2282 -5.2212 5.6437 5.6472 5.9650 5.9725 6.5029 6.5040 7.1584 7.1696 7.3252 7.3374 7.7412 7.7475 8.0572 8.0621 8.2135 8.2320 9.2824 9.2886 9.5361 9.5439 9.7221 9.7223 10.7656 10.7666 12.1599 12.1682 12.2265 12.2311 14.5045 14.5111 14.8712 14.8810 15.0117 15.0319 15.2979 15.3310 16.9226 16.9234 k = 0.1212-0.0000 0.5029 ( 2632 PWs) bands (ev): -48.8325 -48.8325 -48.8258 -48.8258 -24.6738 -24.6726 -24.6272 -24.6259 -22.4107 -22.4070 -22.3339 -22.3334 -21.8836 -21.8829 -21.8545 -21.8531 -6.7220 -6.7142 -6.4136 -6.4119 -5.6253 -5.6225 -5.2234 -5.2157 5.6008 5.6045 5.9072 5.9149 6.5173 6.5184 7.2026 7.2147 7.3816 7.3940 7.7490 7.7557 8.0671 8.0725 8.2304 8.2511 9.3019 9.3089 9.5024 9.5096 9.7321 9.7339 10.7276 10.7288 12.1416 12.1511 12.2093 12.2145 14.5065 14.5147 14.8541 14.8653 14.9806 14.9996 15.3053 15.3377 16.9566 16.9567 k = 0.1364-0.0000 0.5029 ( 2636 PWs) bands (ev): -48.8324 -48.8324 -48.8260 -48.8260 -24.6735 -24.6722 -24.6279 -24.6264 -22.4103 -22.4062 -22.3349 -22.3343 -21.8830 -21.8823 -21.8545 -21.8531 -6.7263 -6.7177 -6.4303 -6.4286 -5.6049 -5.6021 -5.2182 -5.2097 5.5563 5.5602 5.8479 5.8557 6.5350 6.5362 7.2480 7.2610 7.4353 7.4476 7.7572 7.7640 8.0818 8.0873 8.2511 8.2738 9.3234 9.3311 9.4646 9.4714 9.7436 9.7468 10.6855 10.6867 12.1212 12.1318 12.1901 12.1958 14.5035 14.5130 14.8412 14.8532 14.9462 14.9638 15.3150 15.3462 16.9921 16.9929 k = 0.1515-0.0000 0.5029 ( 2634 PWs) bands (ev): -48.8323 -48.8323 -48.8260 -48.8260 -24.6732 -24.6718 -24.6286 -24.6270 -22.4097 -22.4053 -22.3360 -22.3352 -21.8823 -21.8816 -21.8546 -21.8530 -6.7307 -6.7214 -6.4476 -6.4461 -5.5835 -5.5808 -5.2125 -5.2033 5.5109 5.5149 5.7880 5.7958 6.5557 6.5570 7.2935 7.3074 7.4847 7.4966 7.7657 7.7725 8.1025 8.1078 8.2760 8.3004 9.3463 9.3545 9.4237 9.4299 9.7562 9.7607 10.6395 10.6408 12.0988 12.1104 12.1688 12.1751 14.4938 14.5044 14.8333 14.8452 14.9100 14.9269 15.3265 15.3561 17.0292 17.0311 k = 0.1667-0.0000 0.5029 ( 2630 PWs) bands (ev): -48.8322 -48.8322 -48.8260 -48.8260 -24.6728 -24.6713 -24.6294 -24.6276 -22.4091 -22.4043 -22.3371 -22.3363 -21.8816 -21.8808 -21.8547 -21.8530 -6.7353 -6.7254 -6.4653 -6.4640 -5.5613 -5.5586 -5.2065 -5.1967 5.4651 5.4691 5.7281 5.7359 6.5793 6.5806 7.3383 7.3530 7.5283 7.5393 7.7748 7.7811 8.1303 8.1351 8.3051 8.3310 9.3685 9.3711 9.3876 9.3880 9.7697 9.7754 10.5898 10.5912 12.0744 12.0871 12.1455 12.1524 14.4770 14.4881 14.8256 14.8354 14.8787 14.8962 15.3392 15.3672 17.0673 17.0707 k = 0.1818-0.0000 0.5029 ( 2626 PWs) bands (ev): -48.8320 -48.8320 -48.8261 -48.8261 -24.6724 -24.6707 -24.6303 -24.6283 -22.4084 -22.4032 -22.3384 -22.3374 -21.8808 -21.8800 -21.8548 -21.8530 -6.7400 -6.7295 -6.4833 -6.4822 -5.5385 -5.5360 -5.2003 -5.1899 5.4195 5.4235 5.6688 5.6764 6.6056 6.6069 7.3814 7.3970 7.5650 7.5748 7.7848 7.7904 8.1659 8.1697 8.3383 8.3653 9.3303 9.3364 9.3984 9.4085 9.7838 9.7906 10.5369 10.5383 12.0483 12.0620 12.1205 12.1279 14.4535 14.4646 14.8009 14.8088 14.8696 14.8872 15.3527 15.3790 17.1059 17.1110 k = 0.1970-0.0000 0.5029 ( 2626 PWs) bands (ev): -48.8319 -48.8319 -48.8262 -48.8262 -24.6720 -24.6701 -24.6311 -24.6290 -22.4076 -22.4022 -22.3398 -22.3386 -21.8800 -21.8792 -21.8549 -21.8530 -6.7448 -6.7338 -6.5013 -6.5005 -5.5154 -5.5130 -5.1939 -5.1830 5.3744 5.3784 5.6103 5.6178 6.6344 6.6357 7.4218 7.4384 7.5946 7.6029 7.7964 7.8010 8.2093 8.2119 8.3754 8.4032 9.2819 9.2877 9.4249 9.4356 9.7981 9.8059 10.4809 10.4824 12.0205 12.0352 12.0937 12.1015 14.4244 14.4352 14.7601 14.7673 14.8811 14.8974 15.3667 15.3913 17.1447 17.1518 k = 0.2121-0.0000 0.5029 ( 2628 PWs) bands (ev): -48.8318 -48.8318 -48.8263 -48.8263 -24.6715 -24.6695 -24.6321 -24.6299 -22.4068 -22.4010 -22.3412 -22.3399 -21.8791 -21.8783 -21.8550 -21.8530 -6.7495 -6.7381 -6.5193 -6.5188 -5.4920 -5.4899 -5.1874 -5.1762 5.3303 5.3342 5.5532 5.5604 6.6656 6.6670 7.4586 7.4760 7.6173 7.6240 7.8102 7.8136 8.2598 8.2610 8.4158 8.4441 9.2320 9.2375 9.4524 9.4636 9.8125 9.8213 10.4222 10.4238 11.9912 12.0068 12.0654 12.0736 14.3913 14.4017 14.7140 14.7205 14.9015 14.9165 15.3806 15.4038 17.1831 17.1926 k = 0.2273-0.0000 0.5029 ( 2628 PWs) bands (ev): -48.8317 -48.8317 -48.8264 -48.8264 -24.6709 -24.6689 -24.6331 -24.6307 -22.4058 -22.3998 -22.3427 -22.3412 -21.8782 -21.8775 -21.8551 -21.8531 -6.7541 -6.7423 -6.5370 -6.5369 -5.4686 -5.4668 -5.1810 -5.1694 5.2874 5.2912 5.4975 5.5046 6.6990 6.7005 7.4908 7.5087 7.6339 7.6390 7.8270 7.8293 8.3159 8.3162 8.4588 8.4873 9.1816 9.1869 9.4804 9.4921 9.8267 9.8363 10.3611 10.3628 11.9607 11.9772 12.0357 12.0441 14.3556 14.3655 14.6658 14.6715 14.9267 14.9406 15.3944 15.4160 17.2208 17.2330 k = 0.2424-0.0000 0.5029 ( 2630 PWs) bands (ev): -48.8316 -48.8316 -48.8266 -48.8266 -24.6704 -24.6682 -24.6341 -24.6317 -22.4048 -22.3986 -22.3444 -22.3426 -21.8773 -21.8765 -21.8553 -21.8532 -6.7586 -6.7465 -6.5548 -6.5545 -5.4453 -5.4438 -5.1746 -5.1628 5.2459 5.2496 5.4436 5.4504 6.7347 6.7362 7.5177 7.5359 7.6457 7.6491 7.8474 7.8488 8.3754 8.3771 8.5034 8.5318 9.1321 9.1369 9.5086 9.5207 9.8403 9.8508 10.2980 10.2998 11.9291 11.9463 12.0048 12.0134 14.3184 14.3278 14.6165 14.6216 14.9549 14.9678 15.4076 15.4279 17.2574 17.2726 k = 0.2576-0.0000 0.5029 ( 2630 PWs) bands (ev): -48.8315 -48.8315 -48.8267 -48.8267 -24.6698 -24.6674 -24.6352 -24.6326 -22.4037 -22.3973 -22.3460 -22.3441 -21.8763 -21.8756 -21.8554 -21.8533 -6.7629 -6.7505 -6.5723 -6.5716 -5.4222 -5.4211 -5.1685 -5.1565 5.2062 5.2097 5.3916 5.3981 6.7724 6.7741 7.5389 7.5569 7.6535 7.6553 7.8716 7.8724 8.4381 8.4413 8.5481 8.5762 9.0852 9.0892 9.5368 9.5492 9.8532 9.8644 10.2331 10.2350 11.8967 11.9146 11.9729 11.9815 14.2807 14.2896 14.5669 14.5713 14.9851 14.9970 15.4201 15.4390 17.2927 17.3112 k = 0.2727-0.0000 0.5029 ( 2628 PWs) bands (ev): -48.8314 -48.8314 -48.8268 -48.8268 -24.6691 -24.6667 -24.6363 -24.6336 -22.4026 -22.3960 -22.3477 -22.3456 -21.8753 -21.8747 -21.8556 -21.8534 -6.7669 -6.7544 -6.5894 -6.5882 -5.3995 -5.3988 -5.1627 -5.1506 5.1684 5.1717 5.3417 5.3480 6.8122 6.8139 7.5546 7.5719 7.6585 7.6588 7.8990 7.8997 8.5028 8.5075 8.5909 8.6179 9.0433 9.0460 9.5647 9.5773 9.8651 9.8770 10.1669 10.1688 11.8638 11.8823 11.9401 11.9487 14.2432 14.2517 14.5173 14.5211 15.0166 15.0276 15.4316 15.4492 17.3264 17.3485 k = 0.2879-0.0000 0.5029 ( 2628 PWs) bands (ev): -48.8313 -48.8313 -48.8269 -48.8269 -24.6684 -24.6658 -24.6375 -24.6347 -22.4013 -22.3946 -22.3496 -22.3472 -21.8742 -21.8737 -21.8558 -21.8536 -6.7706 -6.7580 -6.6060 -6.6043 -5.3772 -5.3770 -5.1573 -5.1451 5.1327 5.1359 5.2940 5.3000 6.8538 6.8556 7.5654 7.5817 7.6603 7.6615 7.9287 7.9295 8.5683 8.5745 8.6286 8.6534 9.0106 9.0110 9.5919 9.6045 9.8756 9.8881 10.0995 10.1016 11.8306 11.8496 11.9068 11.9152 14.2066 14.2148 14.4682 14.4714 15.0486 15.0588 15.4419 15.4584 17.3582 17.3841 k = 0.3030-0.0000 0.5029 ( 2632 PWs) bands (ev): -48.8312 -48.8312 -48.8271 -48.8271 -24.6676 -24.6650 -24.6387 -24.6358 -22.4000 -22.3932 -22.3514 -22.3488 -21.8732 -21.8728 -21.8560 -21.8538 -6.7739 -6.7612 -6.6220 -6.6199 -5.3558 -5.3555 -5.1523 -5.1401 5.0992 5.1022 5.2487 5.2544 6.8971 6.8991 7.5722 7.5872 7.6606 7.6632 7.9588 7.9603 8.6324 8.6414 8.6578 8.6777 8.9893 8.9927 9.6182 9.6307 9.8847 9.8977 10.0316 10.0339 11.7975 11.8168 11.8733 11.8813 14.1715 14.1793 14.4199 14.4227 15.0809 15.0902 15.4510 15.4662 17.3880 17.4179 k = 0.3182-0.0000 0.5029 ( 2630 PWs) bands (ev): -48.8310 -48.8310 -48.8272 -48.8272 -24.6668 -24.6641 -24.6398 -24.6369 -22.3986 -22.3917 -22.3533 -22.3505 -21.8722 -21.8718 -21.8562 -21.8540 -6.7768 -6.7641 -6.6374 -6.6347 -5.3352 -5.3344 -5.1479 -5.1358 5.0682 5.0709 5.2059 5.2113 6.9420 6.9443 7.5757 7.5893 7.6602 7.6641 7.9877 7.9899 8.6673 8.6865 8.7015 8.7077 8.9858 8.9944 9.6434 9.6553 9.8918 9.9050 9.9637 9.9662 11.7648 11.7844 11.8397 11.8473 14.1382 14.1456 14.3727 14.3750 15.1131 15.1215 15.4587 15.4727 17.4157 17.4498 k = 0.3333-0.0000 0.5029 ( 2630 PWs) bands (ev): -48.8309 -48.8309 -48.8273 -48.8273 -24.6660 -24.6632 -24.6410 -24.6380 -22.3972 -22.3902 -22.3552 -22.3521 -21.8711 -21.8708 -21.8565 -21.8543 -6.7791 -6.7666 -6.6521 -6.6490 -5.3154 -5.3141 -5.1441 -5.1322 5.0396 5.0422 5.1658 5.1708 6.9883 6.9908 7.5767 7.5888 7.6596 7.6648 8.0128 8.0161 8.6688 8.6826 8.7631 8.7717 9.0016 9.0154 9.6672 9.6777 9.8921 9.8925 9.9037 9.9142 11.7330 11.7527 11.8065 11.8134 14.1073 14.1143 14.3269 14.3289 15.1448 15.1524 15.4647 15.4777 17.4411 17.4794 k = 0.3485-0.0000 0.5029 ( 2632 PWs) bands (ev): -48.8307 -48.8307 -48.8275 -48.8275 -24.6652 -24.6623 -24.6423 -24.6392 -22.3957 -22.3886 -22.3572 -22.3539 -21.8700 -21.8699 -21.8568 -21.8547 -6.7810 -6.7686 -6.6662 -6.6625 -5.2964 -5.2946 -5.1411 -5.1293 5.0138 5.0160 5.1283 5.1329 7.0358 7.0386 7.5756 7.5862 7.6591 7.6656 8.0317 8.0361 8.6622 8.6728 8.8227 8.8330 9.0321 9.0497 9.6891 9.6966 9.8267 9.8332 9.9014 9.9158 11.7024 11.7221 11.7739 11.7800 14.0790 14.0857 14.2829 14.2845 15.1758 15.1826 15.4692 15.4810 17.4643 17.5068 k = 0.3636-0.0000 0.5029 ( 2638 PWs) bands (ev): -48.8306 -48.8306 -48.8277 -48.8277 -24.6643 -24.6613 -24.6436 -24.6404 -22.3941 -22.3871 -22.3593 -22.3556 -21.8690 -21.8690 -21.8571 -21.8551 -6.7823 -6.7700 -6.6795 -6.6752 -5.2783 -5.2759 -5.1388 -5.1273 4.9906 4.9926 5.0935 5.0979 7.0843 7.0874 7.5729 7.5821 7.6593 7.6670 8.0416 8.0474 8.6562 8.6652 8.8786 8.8904 9.0713 9.0914 9.7058 9.7080 9.7622 9.7777 9.9022 9.9169 11.6735 11.6930 11.7423 11.7475 14.0537 14.0600 14.2410 14.2422 15.2059 15.2119 15.4719 15.4827 17.4852 17.5318 k = 0.3788-0.0000 0.5029 ( 2642 PWs) bands (ev): -48.8305 -48.8305 -48.8280 -48.8280 -24.6634 -24.6604 -24.6448 -24.6416 -22.3925 -22.3855 -22.3613 -22.3574 -21.8681 -21.8680 -21.8575 -21.8555 -6.7830 -6.7710 -6.6920 -6.6872 -5.2611 -5.2582 -5.1374 -5.1262 4.9703 4.9721 5.0617 5.0657 7.1334 7.1369 7.5689 7.5766 7.6604 7.6693 8.0406 8.0478 8.6571 8.6655 8.9292 8.9426 9.1146 9.1362 9.6790 9.6913 9.7333 9.7579 9.9009 9.9156 11.6468 11.6659 11.7121 11.7162 14.0317 14.0376 14.2014 14.2022 15.2349 15.2401 15.4728 15.4825 17.5040 17.5539 k = 0.3939-0.0000 0.5029 ( 2640 PWs) bands (ev): -48.8303 -48.8303 -48.8281 -48.8281 -24.6624 -24.6593 -24.6460 -24.6428 -22.3908 -22.3839 -22.3633 -22.3591 -21.8672 -21.8670 -21.8579 -21.8560 -6.7831 -6.7713 -6.7038 -6.6984 -5.2450 -5.2415 -5.1369 -5.1260 4.9530 4.9544 5.0327 5.0364 7.1827 7.1867 7.5637 7.5700 7.6628 7.6730 8.0280 8.0364 8.6680 8.6764 8.9730 8.9880 9.1589 9.1815 9.6261 9.6327 9.7478 9.7654 9.8974 9.9120 11.6226 11.6412 11.6837 11.6865 14.0131 14.0186 14.1643 14.1648 15.2628 15.2671 15.4719 15.4806 17.5205 17.5663 k = 0.4091-0.0000 0.5029 ( 2648 PWs) bands (ev): -48.8303 -48.8303 -48.8283 -48.8283 -24.6614 -24.6583 -24.6474 -24.6440 -22.3891 -22.3822 -22.3654 -22.3610 -21.8663 -21.8660 -21.8583 -21.8565 -6.7825 -6.7710 -6.7147 -6.7088 -5.2299 -5.2258 -5.1374 -5.1269 4.9386 4.9397 5.0068 5.0101 7.2317 7.2362 7.5574 7.5622 7.6671 7.6785 8.0047 8.0143 8.6896 8.6980 9.0078 9.0243 9.2023 9.2254 9.5725 9.5767 9.7626 9.7764 9.8917 9.9060 11.6015 11.6193 11.6575 11.6588 13.9983 14.0034 14.1301 14.1301 15.2893 15.2928 15.4692 15.4768 17.5351 17.5728 k = 0.4242-0.0000 0.5029 ( 2648 PWs) bands (ev): -48.8302 -48.8302 -48.8285 -48.8285 -24.6604 -24.6572 -24.6486 -24.6453 -22.3872 -22.3805 -22.3675 -22.3628 -21.8655 -21.8650 -21.8588 -21.8571 -6.7812 -6.7700 -6.7249 -6.7184 -5.2158 -5.2112 -5.1389 -5.1288 4.9272 4.9280 4.9839 4.9868 7.2797 7.2848 7.5498 7.5531 7.6739 7.6866 7.9728 7.9835 8.7205 8.7292 9.0312 9.0489 9.2434 9.2666 9.5247 9.5269 9.7762 9.7869 9.8841 9.8979 11.5839 11.6006 11.6336 11.6338 13.9873 13.9920 14.0986 14.0989 15.3143 15.3169 15.4646 15.4712 17.5477 17.5793 k = 0.4394-0.0000 0.5029 ( 2652 PWs) bands (ev): -48.8301 -48.8301 -48.8286 -48.8286 -24.6593 -24.6560 -24.6499 -24.6466 -22.3854 -22.3788 -22.3696 -22.3646 -21.8647 -21.8640 -21.8593 -21.8577 -6.7791 -6.7683 -6.7342 -6.7272 -5.2029 -5.1977 -5.1415 -5.1318 4.9189 4.9193 4.9641 4.9666 7.3258 7.3314 7.5407 7.5423 7.6839 7.6978 7.9350 7.9468 8.7586 8.7677 9.0408 9.0588 9.2811 9.3041 9.4853 9.4855 9.7888 9.7964 9.8749 9.8879 11.5700 11.5856 11.6112 11.6131 13.9803 13.9846 14.0702 14.0710 15.3378 15.3396 15.4580 15.4637 17.5585 17.5836 k = 0.4545-0.0000 0.5029 ( 2652 PWs) bands (ev): -48.8300 -48.8300 -48.8288 -48.8288 -24.6582 -24.6549 -24.6512 -24.6478 -22.3835 -22.3771 -22.3716 -22.3664 -21.8639 -21.8631 -21.8599 -21.8583 -6.7763 -6.7659 -6.7427 -6.7352 -5.1912 -5.1853 -5.1451 -5.1359 4.9138 4.9138 4.9474 4.9495 7.3690 7.3750 7.5296 7.5296 7.6982 7.7131 7.8940 7.9067 8.8019 8.8115 9.0349 9.0522 9.3147 9.3369 9.4528 9.4564 9.8008 9.8051 9.8646 9.8763 11.5602 11.5745 11.5920 11.5957 13.9774 13.9812 14.0454 14.0465 15.3597 15.3606 15.4496 15.4543 17.5674 17.5864 k = 0.4697-0.0000 0.5029 ( 2656 PWs) bands (ev): -48.8298 -48.8298 -48.8291 -48.8291 -24.6571 -24.6538 -24.6524 -24.6490 -22.3816 -22.3753 -22.3737 -22.3682 -21.8631 -21.8622 -21.8605 -21.8590 -6.7727 -6.7628 -6.7503 -6.7423 -5.1806 -5.1741 -5.1499 -5.1412 4.9115 4.9118 4.9339 4.9356 7.4082 7.4142 7.5140 7.5157 7.7178 7.7333 7.8521 7.8659 8.8481 8.8584 9.0141 9.0300 9.3438 9.3647 9.4282 9.4359 9.8128 9.8137 9.8536 9.8638 11.5548 11.5674 11.5763 11.5819 13.9786 13.9819 14.0242 14.0258 15.3799 15.3799 15.4394 15.4431 17.5747 17.5874 k = 0.4848-0.0000 0.5029 ( 2658 PWs) bands (ev): -48.8296 -48.8296 -48.8293 -48.8293 -24.6560 -24.6536 -24.6526 -24.6502 -22.3797 -22.3757 -22.3736 -22.3700 -21.8624 -21.8614 -21.8611 -21.8598 -6.7684 -6.7588 -6.7572 -6.7486 -5.1711 -5.1641 -5.1558 -5.1477 4.9123 4.9129 4.9235 4.9249 7.4425 7.4480 7.4949 7.4982 7.7433 7.7591 7.8117 7.8265 8.8951 8.9064 8.9814 8.9956 9.3685 9.3871 9.4082 9.4202 9.8227 9.8250 9.8427 9.8507 11.5537 11.5646 11.5647 11.5720 13.9839 13.9868 14.0068 14.0088 15.3975 15.3984 15.4272 15.4300 17.5804 17.5867 k = 0.5000-0.0000 0.5029 ( 2656 PWs) bands (ev): -48.8294 -48.8294 -48.8294 -48.8294 -24.6548 -24.6548 -24.6514 -24.6514 -22.3777 -22.3777 -22.3718 -22.3718 -21.8617 -21.8617 -21.8606 -21.8606 -6.7632 -6.7632 -6.7541 -6.7541 -5.1629 -5.1629 -5.1553 -5.1553 4.9163 4.9163 4.9173 4.9173 7.4713 7.4713 7.4759 7.4759 7.7749 7.7749 7.7904 7.7904 8.9405 8.9405 8.9531 8.9531 9.3893 9.3893 9.4051 9.4051 9.8323 9.8323 9.8377 9.8377 11.5570 11.5570 11.5662 11.5662 13.9934 13.9934 13.9958 13.9958 15.4133 15.4133 15.4151 15.4151 17.5843 17.5843 Writing output data file MoO2.save init_run : 4.41s CPU 14.07s WALL ( 1 calls) electrons : 1317.30s CPU 1327.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.49s WALL ( 1 calls) potinit : 0.35s CPU 1.69s WALL ( 1 calls) Called by electrons: c_bands : 1317.22s CPU 1326.86s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.59s WALL ( 1 calls) newd : 0.34s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.10s WALL ( 356 calls) cegterg : 1289.40s CPU 1296.64s WALL ( 1517 calls) Called by sum_band: Called by *egterg: h_psi : 309.27s CPU 325.16s WALL ( 31000 calls) s_psi : 37.81s CPU 38.89s WALL ( 31000 calls) g_psi : 0.82s CPU 0.84s WALL ( 29127 calls) cdiaghg : 745.73s CPU 739.01s WALL ( 29483 calls) cegterg:over : 97.53s CPU 92.14s WALL ( 29127 calls) cegterg:upda : 14.40s CPU 20.91s WALL ( 29127 calls) cegterg:last : 11.53s CPU 12.51s WALL ( 2942 calls) Called by h_psi: h_psi:vloc : 225.03s CPU 239.41s WALL ( 31000 calls) h_psi:vnl : 83.97s CPU 84.75s WALL ( 31000 calls) add_vuspsi : 26.76s CPU 31.44s WALL ( 31000 calls) General routines calbec : 57.10s CPU 53.10s WALL ( 31000 calls) fft : 0.19s CPU 1.26s WALL ( 19 calls) ffts : 0.10s CPU 0.15s WALL ( 4 calls) fftw : 213.97s CPU 224.58s WALL ( 2204764 calls) interpolate : 0.17s CPU 0.22s WALL ( 4 calls) davcio : 0.02s CPU 1.13s WALL ( 712 calls) Parallel routines fft_scatter : 153.24s CPU 152.56s WALL ( 2204787 calls) PWSCF : 22m54.52s CPU 24m12.70s WALL This run was terminated on: 0:20:54 4Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=