Program PWSCF v.5.1.1 starts on 22May2015 at 23:26:19 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: ./TiPd.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 56 20 6 2473 528 89 Max 57 21 7 2477 548 91 Sum 2717 979 297 118767 25791 4321 bravais-lattice index = 14 lattice parameter (alat) = 11.1551 a.u. unit-cell volume = 508.7524 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.155053 celldm(2)= 0.474166 celldm(3)= 0.774183 celldm(4)= 0.055996 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 0.474166 0.000000 ) a(3) = ( 0.000000 0.043351 0.772968 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 2.108967 -0.118279 ) b(3) = ( 0.000000 0.000000 1.293715 ) PseudoPot. # 1 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Ti 12.00 47.86700 Ti( 1.00) Pd 10.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -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_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0000000 0.0184816), wk = 0.0029070 k( 3) = ( 0.0000000 0.0000000 0.0369633), wk = 0.0029070 k( 4) = ( 0.0000000 0.0000000 0.0554449), wk = 0.0029070 k( 5) = ( 0.0000000 0.0000000 0.0739266), wk = 0.0029070 k( 6) = ( 0.0000000 0.0000000 0.0924082), wk = 0.0029070 k( 7) = ( 0.0000000 0.0000000 0.1108898), wk = 0.0029070 k( 8) = ( 0.0000000 0.0000000 0.1293715), wk = 0.0029070 k( 9) = ( 0.0000000 0.0000000 0.1478531), wk = 0.0029070 k( 10) = ( 0.0000000 0.0000000 0.1663348), wk = 0.0029070 k( 11) = ( 0.0000000 0.0000000 0.1848164), wk = 0.0029070 k( 12) = ( 0.0000000 0.0000000 0.2032980), wk = 0.0029070 k( 13) = ( 0.0000000 0.0000000 0.2217797), wk = 0.0029070 k( 14) = ( 0.0000000 0.0000000 0.2402613), wk = 0.0029070 k( 15) = ( 0.0000000 0.0000000 0.2587429), wk = 0.0029070 k( 16) = ( 0.0000000 0.0000000 0.2772246), wk = 0.0029070 k( 17) = ( 0.0000000 0.0000000 0.2957062), wk = 0.0029070 k( 18) = ( 0.0000000 0.0000000 0.3141879), wk = 0.0029070 k( 19) = ( 0.0000000 0.0000000 0.3326695), wk = 0.0029070 k( 20) = ( 0.0000000 0.0000000 0.3511511), wk = 0.0029070 k( 21) = ( 0.0000000 0.0000000 0.3696328), wk = 0.0029070 k( 22) = ( 0.0000000 0.0000000 0.3881144), wk = 0.0029070 k( 23) = ( 0.0000000 0.0000000 0.4065961), wk = 0.0029070 k( 24) = ( 0.0000000 0.0000000 0.4250777), wk = 0.0029070 k( 25) = ( 0.0000000 0.0000000 0.4435593), wk = 0.0029070 k( 26) = ( 0.0000000 0.0000000 0.4620410), wk = 0.0029070 k( 27) = ( 0.0000000 0.0000000 0.4805226), wk = 0.0029070 k( 28) = ( 0.0000000 0.0000000 0.4990043), wk = 0.0029070 k( 29) = ( 0.0000000 0.0000000 0.5174859), wk = 0.0029070 k( 30) = ( 0.0000000 0.0000000 0.5359675), wk = 0.0029070 k( 31) = ( 0.0000000 0.0000000 0.5544492), wk = 0.0029070 k( 32) = ( 0.0000000 0.0000000 0.5729308), wk = 0.0029070 k( 33) = ( 0.0000000 0.0000000 0.5914125), wk = 0.0029070 k( 34) = ( 0.0000000 0.0000000 0.6098941), wk = 0.0029070 k( 35) = ( 0.0000000 0.0000000 0.6283757), wk = 0.0029070 k( 36) = ( 0.0000000 0.0000000 0.6468574), wk = 0.0029070 k( 37) = ( 0.0000000 0.0000000 0.6468574), wk = 0.0029070 k( 38) = ( 0.0000000 0.0185731 0.6468574), wk = 0.0029070 k( 39) = ( 0.0000000 0.0371463 0.6468574), wk = 0.0029070 k( 40) = ( 0.0000000 0.0557194 0.6468574), wk = 0.0029070 k( 41) = ( 0.0000000 0.0742925 0.6468574), wk = 0.0029070 k( 42) = ( 0.0000000 0.0928657 0.6468574), wk = 0.0029070 k( 43) = ( 0.0000000 0.1114388 0.6468574), wk = 0.0029070 k( 44) = ( 0.0000000 0.1300119 0.6468574), wk = 0.0029070 k( 45) = ( 0.0000000 0.1485851 0.6468574), wk = 0.0029070 k( 46) = ( 0.0000000 0.1671582 0.6468574), wk = 0.0029070 k( 47) = ( 0.0000000 0.1857313 0.6468574), wk = 0.0029070 k( 48) = ( 0.0000000 0.2043045 0.6468574), wk = 0.0029070 k( 49) = ( 0.0000000 0.2228776 0.6468574), wk = 0.0029070 k( 50) = ( 0.0000000 0.2414507 0.6468574), wk = 0.0029070 k( 51) = ( 0.0000000 0.2600239 0.6468574), wk = 0.0029070 k( 52) = ( 0.0000000 0.2785970 0.6468574), wk = 0.0029070 k( 53) = ( 0.0000000 0.2971701 0.6468574), wk = 0.0029070 k( 54) = ( 0.0000000 0.3157433 0.6468574), wk = 0.0029070 k( 55) = ( 0.0000000 0.3343164 0.6468574), wk = 0.0029070 k( 56) = ( 0.0000000 0.3528895 0.6468574), wk = 0.0029070 k( 57) = ( 0.0000000 0.3714627 0.6468574), wk = 0.0029070 k( 58) = ( 0.0000000 0.3900358 0.6468574), wk = 0.0029070 k( 59) = ( 0.0000000 0.4086089 0.6468574), wk = 0.0029070 k( 60) = ( 0.0000000 0.4271821 0.6468574), wk = 0.0029070 k( 61) = ( 0.0000000 0.4457552 0.6468574), wk = 0.0029070 k( 62) = ( 0.0000000 0.4643283 0.6468574), wk = 0.0029070 k( 63) = ( 0.0000000 0.4829015 0.6468574), wk = 0.0029070 k( 64) = ( 0.0000000 0.5014746 0.6468574), wk = 0.0029070 k( 65) = ( 0.0000000 0.5200477 0.6468574), wk = 0.0029070 k( 66) = ( 0.0000000 0.5386208 0.6468574), wk = 0.0029070 k( 67) = ( 0.0000000 0.5571940 0.6468574), wk = 0.0029070 k( 68) = ( 0.0000000 0.5757671 0.6468574), wk = 0.0029070 k( 69) = ( 0.0000000 0.5943403 0.6468574), wk = 0.0029070 k( 70) = ( 0.0000000 0.6129134 0.6468574), wk = 0.0029070 k( 71) = ( 0.0000000 0.6314865 0.6468574), wk = 0.0029070 k( 72) = ( 0.0000000 0.6500597 0.6468574), wk = 0.0029070 k( 73) = ( 0.0000000 0.6686328 0.6468574), wk = 0.0029070 k( 74) = ( 0.0000000 0.6872059 0.6468574), wk = 0.0029070 k( 75) = ( 0.0000000 0.7057790 0.6468574), wk = 0.0029070 k( 76) = ( 0.0000000 0.7243522 0.6468574), wk = 0.0029070 k( 77) = ( 0.0000000 0.7429253 0.6468574), wk = 0.0029070 k( 78) = ( 0.0000000 0.7614985 0.6468574), wk = 0.0029070 k( 79) = ( 0.0000000 0.7800716 0.6468574), wk = 0.0029070 k( 80) = ( 0.0000000 0.7986447 0.6468574), wk = 0.0029070 k( 81) = ( 0.0000000 0.8172179 0.6468574), wk = 0.0029070 k( 82) = ( 0.0000000 0.8357910 0.6468574), wk = 0.0029070 k( 83) = ( 0.0000000 0.8543641 0.6468574), wk = 0.0029070 k( 84) = ( 0.0000000 0.8729372 0.6468574), wk = 0.0029070 k( 85) = ( 0.0000000 0.8915104 0.6468574), wk = 0.0029070 k( 86) = ( 0.0000000 0.9100835 0.6468574), wk = 0.0029070 k( 87) = ( 0.0000000 0.9286566 0.6468574), wk = 0.0029070 k( 88) = ( 0.0000000 0.9472298 0.6468574), wk = 0.0029070 k( 89) = ( 0.0000000 0.9658029 0.6468574), wk = 0.0029070 k( 90) = ( 0.0000000 0.9843761 0.6468574), wk = 0.0029070 k( 91) = ( 0.0000000 1.0029492 0.6468574), wk = 0.0029070 k( 92) = ( 0.0000000 1.0215223 0.6468574), wk = 0.0029070 k( 93) = ( 0.0000000 1.0215223 0.6468574), wk = 0.0029070 k( 94) = ( 0.0000000 1.0297627 0.6320725), wk = 0.0029070 k( 95) = ( 0.0000000 1.0380030 0.6172877), wk = 0.0029070 k( 96) = ( 0.0000000 1.0462434 0.6025028), wk = 0.0029070 k( 97) = ( 0.0000000 1.0544837 0.5877180), wk = 0.0029070 k( 98) = ( 0.0000000 1.0544837 0.5877180), wk = 0.0029070 k( 99) = ( 0.0185185 1.0544837 0.5877180), wk = 0.0029070 k( 100) = ( 0.0370370 1.0544837 0.5877180), wk = 0.0029070 k( 101) = ( 0.0555556 1.0544837 0.5877180), wk = 0.0029070 k( 102) = ( 0.0740741 1.0544837 0.5877180), wk = 0.0029070 k( 103) = ( 0.0925926 1.0544837 0.5877180), wk = 0.0029070 k( 104) = ( 0.1111111 1.0544837 0.5877180), wk = 0.0029070 k( 105) = ( 0.1296296 1.0544837 0.5877180), wk = 0.0029070 k( 106) = ( 0.1481482 1.0544837 0.5877180), wk = 0.0029070 k( 107) = ( 0.1666667 1.0544837 0.5877180), wk = 0.0029070 k( 108) = ( 0.1851852 1.0544837 0.5877180), wk = 0.0029070 k( 109) = ( 0.2037037 1.0544837 0.5877180), wk = 0.0029070 k( 110) = ( 0.2222222 1.0544837 0.5877180), wk = 0.0029070 k( 111) = ( 0.2407407 1.0544837 0.5877180), wk = 0.0029070 k( 112) = ( 0.2592593 1.0544837 0.5877180), wk = 0.0029070 k( 113) = ( 0.2777778 1.0544837 0.5877180), wk = 0.0029070 k( 114) = ( 0.2962963 1.0544837 0.5877180), wk = 0.0029070 k( 115) = ( 0.3148148 1.0544837 0.5877180), wk = 0.0029070 k( 116) = ( 0.3333333 1.0544837 0.5877180), wk = 0.0029070 k( 117) = ( 0.3518519 1.0544837 0.5877180), wk = 0.0029070 k( 118) = ( 0.3703704 1.0544837 0.5877180), wk = 0.0029070 k( 119) = ( 0.3888889 1.0544837 0.5877180), wk = 0.0029070 k( 120) = ( 0.4074074 1.0544837 0.5877180), wk = 0.0029070 k( 121) = ( 0.4259259 1.0544837 0.5877180), wk = 0.0029070 k( 122) = ( 0.4444444 1.0544837 0.5877180), wk = 0.0029070 k( 123) = ( 0.4629630 1.0544837 0.5877180), wk = 0.0029070 k( 124) = ( 0.4814815 1.0544837 0.5877180), wk = 0.0029070 k( 125) = ( 0.5000000 1.0544837 0.5877180), wk = 0.0029070 k( 126) = ( 0.5000000 1.0544837 0.5877180), wk = 0.0029070 k( 127) = ( 0.5000000 1.0627241 0.5729331), wk = 0.0029070 k( 128) = ( 0.5000000 1.0709645 0.5581482), wk = 0.0029070 k( 129) = ( 0.5000000 1.0792048 0.5433634), wk = 0.0029070 k( 130) = ( 0.5000000 1.0874452 0.5285785), wk = 0.0029070 k( 131) = ( 0.5000000 1.0874452 0.5285785), wk = 0.0029070 k( 132) = ( 0.5000000 1.0864151 0.5102123), wk = 0.0029070 k( 133) = ( 0.5000000 1.0853851 0.4918462), wk = 0.0029070 k( 134) = ( 0.5000000 1.0843550 0.4734800), wk = 0.0029070 k( 135) = ( 0.5000000 1.0833250 0.4551138), wk = 0.0029070 k( 136) = ( 0.5000000 1.0822950 0.4367476), wk = 0.0029070 k( 137) = ( 0.5000000 1.0812649 0.4183814), wk = 0.0029070 k( 138) = ( 0.5000000 1.0802349 0.4000152), wk = 0.0029070 k( 139) = ( 0.5000000 1.0792048 0.3816491), wk = 0.0029070 k( 140) = ( 0.5000000 1.0781748 0.3632829), wk = 0.0029070 k( 141) = ( 0.5000000 1.0771447 0.3449167), wk = 0.0029070 k( 142) = ( 0.5000000 1.0761147 0.3265505), wk = 0.0029070 k( 143) = ( 0.5000000 1.0750846 0.3081843), wk = 0.0029070 k( 144) = ( 0.5000000 1.0740546 0.2898181), wk = 0.0029070 k( 145) = ( 0.5000000 1.0730245 0.2714519), wk = 0.0029070 k( 146) = ( 0.5000000 1.0719945 0.2530858), wk = 0.0029070 k( 147) = ( 0.5000000 1.0709645 0.2347196), wk = 0.0029070 k( 148) = ( 0.5000000 1.0699344 0.2163534), wk = 0.0029070 k( 149) = ( 0.5000000 1.0689044 0.1979872), wk = 0.0029070 k( 150) = ( 0.5000000 1.0678743 0.1796210), wk = 0.0029070 k( 151) = ( 0.5000000 1.0668443 0.1612548), wk = 0.0029070 k( 152) = ( 0.5000000 1.0658142 0.1428886), wk = 0.0029070 k( 153) = ( 0.5000000 1.0647842 0.1245224), wk = 0.0029070 k( 154) = ( 0.5000000 1.0637542 0.1061563), wk = 0.0029070 k( 155) = ( 0.5000000 1.0627241 0.0877901), wk = 0.0029070 k( 156) = ( 0.5000000 1.0616941 0.0694239), wk = 0.0029070 k( 157) = ( 0.5000000 1.0606640 0.0510577), wk = 0.0029070 k( 158) = ( 0.5000000 1.0596340 0.0326915), wk = 0.0029070 k( 159) = ( 0.5000000 1.0586039 0.0143253), wk = 0.0029070 k( 160) = ( 0.5000000 1.0575739 -0.0040409), wk = 0.0029070 k( 161) = ( 0.5000000 1.0565438 -0.0224070), wk = 0.0029070 k( 162) = ( 0.5000000 1.0555138 -0.0407732), wk = 0.0029070 k( 163) = ( 0.5000000 1.0544837 -0.0591394), wk = 0.0029070 k( 164) = ( 0.5000000 1.0544837 -0.0591394), wk = 0.0029070 k( 165) = ( 0.4814815 1.0544837 -0.0591394), wk = 0.0029070 k( 166) = ( 0.4629630 1.0544837 -0.0591394), wk = 0.0029070 k( 167) = ( 0.4444444 1.0544837 -0.0591394), wk = 0.0029070 k( 168) = ( 0.4259259 1.0544837 -0.0591394), wk = 0.0029070 k( 169) = ( 0.4074074 1.0544837 -0.0591394), wk = 0.0029070 k( 170) = ( 0.3888889 1.0544837 -0.0591394), wk = 0.0029070 k( 171) = ( 0.3703704 1.0544837 -0.0591394), wk = 0.0029070 k( 172) = ( 0.3518519 1.0544837 -0.0591394), wk = 0.0029070 k( 173) = ( 0.3333333 1.0544837 -0.0591394), wk = 0.0029070 k( 174) = ( 0.3148148 1.0544837 -0.0591394), wk = 0.0029070 k( 175) = ( 0.2962963 1.0544837 -0.0591394), wk = 0.0029070 k( 176) = ( 0.2777778 1.0544837 -0.0591394), wk = 0.0029070 k( 177) = ( 0.2592593 1.0544837 -0.0591394), wk = 0.0029070 k( 178) = ( 0.2407407 1.0544837 -0.0591394), wk = 0.0029070 k( 179) = ( 0.2222222 1.0544837 -0.0591394), wk = 0.0029070 k( 180) = ( 0.2037037 1.0544837 -0.0591394), wk = 0.0029070 k( 181) = ( 0.1851852 1.0544837 -0.0591394), wk = 0.0029070 k( 182) = ( 0.1666667 1.0544837 -0.0591394), wk = 0.0029070 k( 183) = ( 0.1481482 1.0544837 -0.0591394), wk = 0.0029070 k( 184) = ( 0.1296296 1.0544837 -0.0591394), wk = 0.0029070 k( 185) = ( 0.1111111 1.0544837 -0.0591394), wk = 0.0029070 k( 186) = ( 0.0925926 1.0544837 -0.0591394), wk = 0.0029070 k( 187) = ( 0.0740741 1.0544837 -0.0591394), wk = 0.0029070 k( 188) = ( 0.0555556 1.0544837 -0.0591394), wk = 0.0029070 k( 189) = ( 0.0370370 1.0544837 -0.0591394), wk = 0.0029070 k( 190) = ( 0.0185185 1.0544837 -0.0591394), wk = 0.0029070 k( 191) = ( 0.0000000 1.0544837 -0.0591394), wk = 0.0029070 k( 192) = ( 0.0000000 1.0544837 -0.0591394), wk = 0.0029070 k( 193) = ( 0.0000000 1.0555138 -0.0407732), wk = 0.0029070 k( 194) = ( 0.0000000 1.0565438 -0.0224070), wk = 0.0029070 k( 195) = ( 0.0000000 1.0575739 -0.0040409), wk = 0.0029070 k( 196) = ( 0.0000000 1.0586039 0.0143253), wk = 0.0029070 k( 197) = ( 0.0000000 1.0596340 0.0326915), wk = 0.0029070 k( 198) = ( 0.0000000 1.0606640 0.0510577), wk = 0.0029070 k( 199) = ( 0.0000000 1.0616941 0.0694239), wk = 0.0029070 k( 200) = ( 0.0000000 1.0627241 0.0877901), wk = 0.0029070 k( 201) = ( 0.0000000 1.0637542 0.1061563), wk = 0.0029070 k( 202) = ( 0.0000000 1.0647842 0.1245224), wk = 0.0029070 k( 203) = ( 0.0000000 1.0658142 0.1428886), wk = 0.0029070 k( 204) = ( 0.0000000 1.0668443 0.1612548), wk = 0.0029070 k( 205) = ( 0.0000000 1.0678743 0.1796210), wk = 0.0029070 k( 206) = ( 0.0000000 1.0689044 0.1979872), wk = 0.0029070 k( 207) = ( 0.0000000 1.0699344 0.2163534), wk = 0.0029070 k( 208) = ( 0.0000000 1.0709645 0.2347196), wk = 0.0029070 k( 209) = ( 0.0000000 1.0719945 0.2530858), wk = 0.0029070 k( 210) = ( 0.0000000 1.0730245 0.2714519), wk = 0.0029070 k( 211) = ( 0.0000000 1.0740546 0.2898181), wk = 0.0029070 k( 212) = ( 0.0000000 1.0750846 0.3081843), wk = 0.0029070 k( 213) = ( 0.0000000 1.0761147 0.3265505), wk = 0.0029070 k( 214) = ( 0.0000000 1.0771447 0.3449167), wk = 0.0029070 k( 215) = ( 0.0000000 1.0781748 0.3632829), wk = 0.0029070 k( 216) = ( 0.0000000 1.0792048 0.3816491), wk = 0.0029070 k( 217) = ( 0.0000000 1.0802349 0.4000152), wk = 0.0029070 k( 218) = ( 0.0000000 1.0812649 0.4183814), wk = 0.0029070 k( 219) = ( 0.0000000 1.0822950 0.4367476), wk = 0.0029070 k( 220) = ( 0.0000000 1.0833250 0.4551138), wk = 0.0029070 k( 221) = ( 0.0000000 1.0843550 0.4734800), wk = 0.0029070 k( 222) = ( 0.0000000 1.0853851 0.4918462), wk = 0.0029070 k( 223) = ( 0.0000000 1.0864151 0.5102123), wk = 0.0029070 k( 224) = ( 0.0000000 1.0874452 0.5285785), wk = 0.0029070 k( 225) = ( 0.5000000 1.0215223 0.6468574), wk = 0.0029070 k( 226) = ( 0.5000000 1.0029492 0.6468574), wk = 0.0029070 k( 227) = ( 0.5000000 0.9843761 0.6468574), wk = 0.0029070 k( 228) = ( 0.5000000 0.9658029 0.6468574), wk = 0.0029070 k( 229) = ( 0.5000000 0.9472298 0.6468574), wk = 0.0029070 k( 230) = ( 0.5000000 0.9286566 0.6468574), wk = 0.0029070 k( 231) = ( 0.5000000 0.9100835 0.6468574), wk = 0.0029070 k( 232) = ( 0.5000000 0.8915104 0.6468574), wk = 0.0029070 k( 233) = ( 0.5000000 0.8729372 0.6468574), wk = 0.0029070 k( 234) = ( 0.5000000 0.8543641 0.6468574), wk = 0.0029070 k( 235) = ( 0.5000000 0.8357910 0.6468574), wk = 0.0029070 k( 236) = ( 0.5000000 0.8172179 0.6468574), wk = 0.0029070 k( 237) = ( 0.5000000 0.7986447 0.6468574), wk = 0.0029070 k( 238) = ( 0.5000000 0.7800716 0.6468574), wk = 0.0029070 k( 239) = ( 0.5000000 0.7614985 0.6468574), wk = 0.0029070 k( 240) = ( 0.5000000 0.7429253 0.6468574), wk = 0.0029070 k( 241) = ( 0.5000000 0.7243522 0.6468574), wk = 0.0029070 k( 242) = ( 0.5000000 0.7057790 0.6468574), wk = 0.0029070 k( 243) = ( 0.5000000 0.6872059 0.6468574), wk = 0.0029070 k( 244) = ( 0.5000000 0.6686328 0.6468574), wk = 0.0029070 k( 245) = ( 0.5000000 0.6500597 0.6468574), wk = 0.0029070 k( 246) = ( 0.5000000 0.6314865 0.6468574), wk = 0.0029070 k( 247) = ( 0.5000000 0.6129134 0.6468574), wk = 0.0029070 k( 248) = ( 0.5000000 0.5943403 0.6468574), wk = 0.0029070 k( 249) = ( 0.5000000 0.5757671 0.6468574), wk = 0.0029070 k( 250) = ( 0.5000000 0.5571940 0.6468574), wk = 0.0029070 k( 251) = ( 0.5000000 0.5386208 0.6468574), wk = 0.0029070 k( 252) = ( 0.5000000 0.5200477 0.6468574), wk = 0.0029070 k( 253) = ( 0.5000000 0.5014746 0.6468574), wk = 0.0029070 k( 254) = ( 0.5000000 0.4829015 0.6468574), wk = 0.0029070 k( 255) = ( 0.5000000 0.4643283 0.6468574), wk = 0.0029070 k( 256) = ( 0.5000000 0.4457552 0.6468574), wk = 0.0029070 k( 257) = ( 0.5000000 0.4271821 0.6468574), wk = 0.0029070 k( 258) = ( 0.5000000 0.4086089 0.6468574), wk = 0.0029070 k( 259) = ( 0.5000000 0.3900358 0.6468574), wk = 0.0029070 k( 260) = ( 0.5000000 0.3714627 0.6468574), wk = 0.0029070 k( 261) = ( 0.5000000 0.3528895 0.6468574), wk = 0.0029070 k( 262) = ( 0.5000000 0.3343164 0.6468574), wk = 0.0029070 k( 263) = ( 0.5000000 0.3157433 0.6468574), wk = 0.0029070 k( 264) = ( 0.5000000 0.2971701 0.6468574), wk = 0.0029070 k( 265) = ( 0.5000000 0.2785970 0.6468574), wk = 0.0029070 k( 266) = ( 0.5000000 0.2600239 0.6468574), wk = 0.0029070 k( 267) = ( 0.5000000 0.2414507 0.6468574), wk = 0.0029070 k( 268) = ( 0.5000000 0.2228776 0.6468574), wk = 0.0029070 k( 269) = ( 0.5000000 0.2043045 0.6468574), wk = 0.0029070 k( 270) = ( 0.5000000 0.1857313 0.6468574), wk = 0.0029070 k( 271) = ( 0.5000000 0.1671582 0.6468574), wk = 0.0029070 k( 272) = ( 0.5000000 0.1485851 0.6468574), wk = 0.0029070 k( 273) = ( 0.5000000 0.1300119 0.6468574), wk = 0.0029070 k( 274) = ( 0.5000000 0.1114388 0.6468574), wk = 0.0029070 k( 275) = ( 0.5000000 0.0928657 0.6468574), wk = 0.0029070 k( 276) = ( 0.5000000 0.0742925 0.6468574), wk = 0.0029070 k( 277) = ( 0.5000000 0.0557194 0.6468574), wk = 0.0029070 k( 278) = ( 0.5000000 0.0371463 0.6468574), wk = 0.0029070 k( 279) = ( 0.5000000 0.0185731 0.6468574), wk = 0.0029070 k( 280) = ( 0.5000000 -0.0000000 0.6468574), wk = 0.0029070 k( 281) = ( 0.5000000 -0.0000000 0.6468574), wk = 0.0029070 k( 282) = ( 0.5000000 -0.0000000 0.6283757), wk = 0.0029070 k( 283) = ( 0.5000000 -0.0000000 0.6098941), wk = 0.0029070 k( 284) = ( 0.5000000 -0.0000000 0.5914125), wk = 0.0029070 k( 285) = ( 0.5000000 -0.0000000 0.5729308), wk = 0.0029070 k( 286) = ( 0.5000000 -0.0000000 0.5544492), wk = 0.0029070 k( 287) = ( 0.5000000 -0.0000000 0.5359675), wk = 0.0029070 k( 288) = ( 0.5000000 -0.0000000 0.5174859), wk = 0.0029070 k( 289) = ( 0.5000000 -0.0000000 0.4990043), wk = 0.0029070 k( 290) = ( 0.5000000 -0.0000000 0.4805226), wk = 0.0029070 k( 291) = ( 0.5000000 -0.0000000 0.4620410), wk = 0.0029070 k( 292) = ( 0.5000000 -0.0000000 0.4435593), wk = 0.0029070 k( 293) = ( 0.5000000 -0.0000000 0.4250777), wk = 0.0029070 k( 294) = ( 0.5000000 -0.0000000 0.4065961), wk = 0.0029070 k( 295) = ( 0.5000000 -0.0000000 0.3881144), wk = 0.0029070 k( 296) = ( 0.5000000 -0.0000000 0.3696328), wk = 0.0029070 k( 297) = ( 0.5000000 -0.0000000 0.3511511), wk = 0.0029070 k( 298) = ( 0.5000000 -0.0000000 0.3326695), wk = 0.0029070 k( 299) = ( 0.5000000 -0.0000000 0.3141879), wk = 0.0029070 k( 300) = ( 0.5000000 -0.0000000 0.2957062), wk = 0.0029070 k( 301) = ( 0.5000000 -0.0000000 0.2772246), wk = 0.0029070 k( 302) = ( 0.5000000 -0.0000000 0.2587429), wk = 0.0029070 k( 303) = ( 0.5000000 -0.0000000 0.2402613), wk = 0.0029070 k( 304) = ( 0.5000000 -0.0000000 0.2217797), wk = 0.0029070 k( 305) = ( 0.5000000 -0.0000000 0.2032980), wk = 0.0029070 k( 306) = ( 0.5000000 -0.0000000 0.1848164), wk = 0.0029070 k( 307) = ( 0.5000000 -0.0000000 0.1663348), wk = 0.0029070 k( 308) = ( 0.5000000 -0.0000000 0.1478531), wk = 0.0029070 k( 309) = ( 0.5000000 -0.0000000 0.1293715), wk = 0.0029070 k( 310) = ( 0.5000000 -0.0000000 0.1108898), wk = 0.0029070 k( 311) = ( 0.5000000 -0.0000000 0.0924082), wk = 0.0029070 k( 312) = ( 0.5000000 -0.0000000 0.0739266), wk = 0.0029070 k( 313) = ( 0.5000000 -0.0000000 0.0554449), wk = 0.0029070 k( 314) = ( 0.5000000 -0.0000000 0.0369633), wk = 0.0029070 k( 315) = ( 0.5000000 -0.0000000 0.0184816), wk = 0.0029070 k( 316) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029070 k( 317) = ( 0.0000000 0.0000000 0.6468574), wk = 0.0029070 k( 318) = ( 0.0185185 -0.0000000 0.6468574), wk = 0.0029070 k( 319) = ( 0.0370370 -0.0000000 0.6468574), wk = 0.0029070 k( 320) = ( 0.0555556 -0.0000000 0.6468574), wk = 0.0029070 k( 321) = ( 0.0740741 -0.0000000 0.6468574), wk = 0.0029070 k( 322) = ( 0.0925926 -0.0000000 0.6468574), wk = 0.0029070 k( 323) = ( 0.1111111 -0.0000000 0.6468574), wk = 0.0029070 k( 324) = ( 0.1296296 -0.0000000 0.6468574), wk = 0.0029070 k( 325) = ( 0.1481482 -0.0000000 0.6468574), wk = 0.0029070 k( 326) = ( 0.1666667 -0.0000000 0.6468574), wk = 0.0029070 k( 327) = ( 0.1851852 -0.0000000 0.6468574), wk = 0.0029070 k( 328) = ( 0.2037037 -0.0000000 0.6468574), wk = 0.0029070 k( 329) = ( 0.2222222 -0.0000000 0.6468574), wk = 0.0029070 k( 330) = ( 0.2407407 -0.0000000 0.6468574), wk = 0.0029070 k( 331) = ( 0.2592593 -0.0000000 0.6468574), wk = 0.0029070 k( 332) = ( 0.2777778 -0.0000000 0.6468574), wk = 0.0029070 k( 333) = ( 0.2962963 -0.0000000 0.6468574), wk = 0.0029070 k( 334) = ( 0.3148148 -0.0000000 0.6468574), wk = 0.0029070 k( 335) = ( 0.3333333 -0.0000000 0.6468574), wk = 0.0029070 k( 336) = ( 0.3518519 -0.0000000 0.6468574), wk = 0.0029070 k( 337) = ( 0.3703704 -0.0000000 0.6468574), wk = 0.0029070 k( 338) = ( 0.3888889 -0.0000000 0.6468574), wk = 0.0029070 k( 339) = ( 0.4074074 -0.0000000 0.6468574), wk = 0.0029070 k( 340) = ( 0.4259259 -0.0000000 0.6468574), wk = 0.0029070 k( 341) = ( 0.4444444 -0.0000000 0.6468574), wk = 0.0029070 k( 342) = ( 0.4629630 -0.0000000 0.6468574), wk = 0.0029070 k( 343) = ( 0.4814815 -0.0000000 0.6468574), wk = 0.0029070 k( 344) = ( 0.5000000 -0.0000000 0.6468574), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0029070 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0029070 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0029070 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0029070 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029070 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0029070 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0029070 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0029070 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029070 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0029070 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0029070 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0029070 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029070 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0029070 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0029070 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0029070 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0029070 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029070 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0029070 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0029070 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0029070 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029070 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0029070 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0029070 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0029070 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029070 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0029070 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0029070 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0029070 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0029070 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.0088067 0.5008052), wk = 0.0029070 k( 39) = ( 0.0000000 0.0176135 0.5016103), wk = 0.0029070 k( 40) = ( 0.0000000 0.0264202 0.5024155), wk = 0.0029070 k( 41) = ( 0.0000000 0.0352270 0.5032207), wk = 0.0029070 k( 42) = ( 0.0000000 0.0440337 0.5040258), wk = 0.0029070 k( 43) = ( 0.0000000 0.0528404 0.5048310), wk = 0.0029070 k( 44) = ( 0.0000000 0.0616472 0.5056361), wk = 0.0029070 k( 45) = ( 0.0000000 0.0704539 0.5064413), wk = 0.0029070 k( 46) = ( 0.0000000 0.0792607 0.5072465), wk = 0.0029070 k( 47) = ( 0.0000000 0.0880674 0.5080516), wk = 0.0029070 k( 48) = ( 0.0000000 0.0968742 0.5088568), wk = 0.0029070 k( 49) = ( 0.0000000 0.1056809 0.5096620), wk = 0.0029070 k( 50) = ( 0.0000000 0.1144876 0.5104671), wk = 0.0029070 k( 51) = ( 0.0000000 0.1232944 0.5112723), wk = 0.0029070 k( 52) = ( 0.0000000 0.1321011 0.5120774), wk = 0.0029070 k( 53) = ( 0.0000000 0.1409079 0.5128826), wk = 0.0029070 k( 54) = ( 0.0000000 0.1497146 0.5136878), wk = 0.0029070 k( 55) = ( 0.0000000 0.1585214 0.5144929), wk = 0.0029070 k( 56) = ( 0.0000000 0.1673281 0.5152981), wk = 0.0029070 k( 57) = ( 0.0000000 0.1761348 0.5161033), wk = 0.0029070 k( 58) = ( 0.0000000 0.1849416 0.5169084), wk = 0.0029070 k( 59) = ( 0.0000000 0.1937483 0.5177136), wk = 0.0029070 k( 60) = ( 0.0000000 0.2025551 0.5185188), wk = 0.0029070 k( 61) = ( 0.0000000 0.2113618 0.5193239), wk = 0.0029070 k( 62) = ( 0.0000000 0.2201685 0.5201291), wk = 0.0029070 k( 63) = ( 0.0000000 0.2289753 0.5209342), wk = 0.0029070 k( 64) = ( 0.0000000 0.2377820 0.5217394), wk = 0.0029070 k( 65) = ( 0.0000000 0.2465888 0.5225446), wk = 0.0029070 k( 66) = ( 0.0000000 0.2553955 0.5233497), wk = 0.0029070 k( 67) = ( 0.0000000 0.2642023 0.5241549), wk = 0.0029070 k( 68) = ( 0.0000000 0.2730090 0.5249601), wk = 0.0029070 k( 69) = ( 0.0000000 0.2818157 0.5257652), wk = 0.0029070 k( 70) = ( 0.0000000 0.2906225 0.5265704), wk = 0.0029070 k( 71) = ( 0.0000000 0.2994292 0.5273755), wk = 0.0029070 k( 72) = ( 0.0000000 0.3082360 0.5281807), wk = 0.0029070 k( 73) = ( 0.0000000 0.3170427 0.5289859), wk = 0.0029070 k( 74) = ( 0.0000000 0.3258495 0.5297910), wk = 0.0029070 k( 75) = ( 0.0000000 0.3346562 0.5305962), wk = 0.0029070 k( 76) = ( 0.0000000 0.3434629 0.5314013), wk = 0.0029070 k( 77) = ( 0.0000000 0.3522697 0.5322065), wk = 0.0029070 k( 78) = ( 0.0000000 0.3610764 0.5330117), wk = 0.0029070 k( 79) = ( 0.0000000 0.3698832 0.5338168), wk = 0.0029070 k( 80) = ( 0.0000000 0.3786899 0.5346220), wk = 0.0029070 k( 81) = ( 0.0000000 0.3874967 0.5354272), wk = 0.0029070 k( 82) = ( 0.0000000 0.3963034 0.5362323), wk = 0.0029070 k( 83) = ( 0.0000000 0.4051101 0.5370375), wk = 0.0029070 k( 84) = ( 0.0000000 0.4139169 0.5378427), wk = 0.0029070 k( 85) = ( 0.0000000 0.4227236 0.5386478), wk = 0.0029070 k( 86) = ( 0.0000000 0.4315304 0.5394530), wk = 0.0029070 k( 87) = ( 0.0000000 0.4403371 0.5402581), wk = 0.0029070 k( 88) = ( 0.0000000 0.4491439 0.5410633), wk = 0.0029070 k( 89) = ( 0.0000000 0.4579506 0.5418685), wk = 0.0029070 k( 90) = ( 0.0000000 0.4667573 0.5426736), wk = 0.0029070 k( 91) = ( 0.0000000 0.4755641 0.5434788), wk = 0.0029070 k( 92) = ( 0.0000000 0.4843708 0.5442840), wk = 0.0029070 k( 93) = ( 0.0000000 0.4843708 0.5442840), wk = 0.0029070 k( 94) = ( 0.0000000 0.4882781 0.5332130), wk = 0.0029070 k( 95) = ( 0.0000000 0.4921854 0.5221420), wk = 0.0029070 k( 96) = ( 0.0000000 0.4960927 0.5110710), wk = 0.0029070 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029070 k( 99) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0029070 k( 100) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0029070 k( 101) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0029070 k( 102) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0029070 k( 103) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0029070 k( 104) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0029070 k( 105) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0029070 k( 106) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0029070 k( 107) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029070 k( 108) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0029070 k( 109) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0029070 k( 110) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0029070 k( 111) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0029070 k( 112) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0029070 k( 113) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0029070 k( 114) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0029070 k( 115) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0029070 k( 116) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029070 k( 117) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0029070 k( 118) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0029070 k( 119) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0029070 k( 120) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0029070 k( 121) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0029070 k( 122) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0029070 k( 123) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0029070 k( 124) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0029070 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 127) = ( 0.5000000 0.5039073 0.4889290), wk = 0.0029070 k( 128) = ( 0.5000000 0.5078146 0.4778580), wk = 0.0029070 k( 129) = ( 0.5000000 0.5117219 0.4667870), wk = 0.0029070 k( 130) = ( 0.5000000 0.5156292 0.4557160), wk = 0.0029070 k( 131) = ( 0.5000000 0.5156292 0.4557160), wk = 0.0029070 k( 132) = ( 0.5000000 0.5151408 0.4414749), wk = 0.0029070 k( 133) = ( 0.5000000 0.5146524 0.4272338), wk = 0.0029070 k( 134) = ( 0.5000000 0.5141639 0.4129927), wk = 0.0029070 k( 135) = ( 0.5000000 0.5136755 0.3987515), wk = 0.0029070 k( 136) = ( 0.5000000 0.5131871 0.3845104), wk = 0.0029070 k( 137) = ( 0.5000000 0.5126987 0.3702693), wk = 0.0029070 k( 138) = ( 0.5000000 0.5122103 0.3560282), wk = 0.0029070 k( 139) = ( 0.5000000 0.5117219 0.3417870), wk = 0.0029070 k( 140) = ( 0.5000000 0.5112335 0.3275459), wk = 0.0029070 k( 141) = ( 0.5000000 0.5107451 0.3133048), wk = 0.0029070 k( 142) = ( 0.5000000 0.5102566 0.2990636), wk = 0.0029070 k( 143) = ( 0.5000000 0.5097682 0.2848225), wk = 0.0029070 k( 144) = ( 0.5000000 0.5092798 0.2705814), wk = 0.0029070 k( 145) = ( 0.5000000 0.5087914 0.2563403), wk = 0.0029070 k( 146) = ( 0.5000000 0.5083030 0.2420991), wk = 0.0029070 k( 147) = ( 0.5000000 0.5078146 0.2278580), wk = 0.0029070 k( 148) = ( 0.5000000 0.5073262 0.2136169), wk = 0.0029070 k( 149) = ( 0.5000000 0.5068378 0.1993758), wk = 0.0029070 k( 150) = ( 0.5000000 0.5063493 0.1851346), wk = 0.0029070 k( 151) = ( 0.5000000 0.5058609 0.1708935), wk = 0.0029070 k( 152) = ( 0.5000000 0.5053725 0.1566524), wk = 0.0029070 k( 153) = ( 0.5000000 0.5048841 0.1424113), wk = 0.0029070 k( 154) = ( 0.5000000 0.5043957 0.1281701), wk = 0.0029070 k( 155) = ( 0.5000000 0.5039073 0.1139290), wk = 0.0029070 k( 156) = ( 0.5000000 0.5034189 0.0996879), wk = 0.0029070 k( 157) = ( 0.5000000 0.5029305 0.0854468), wk = 0.0029070 k( 158) = ( 0.5000000 0.5024421 0.0712056), wk = 0.0029070 k( 159) = ( 0.5000000 0.5019537 0.0569645), wk = 0.0029070 k( 160) = ( 0.5000000 0.5014652 0.0427234), wk = 0.0029070 k( 161) = ( 0.5000000 0.5009768 0.0284822), wk = 0.0029070 k( 162) = ( 0.5000000 0.5004884 0.0142411), wk = 0.0029070 k( 163) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 164) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 165) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0029070 k( 166) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0029070 k( 167) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0029070 k( 168) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0029070 k( 169) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0029070 k( 170) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0029070 k( 171) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0029070 k( 172) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0029070 k( 173) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029070 k( 174) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0029070 k( 175) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0029070 k( 176) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0029070 k( 177) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0029070 k( 178) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0029070 k( 179) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0029070 k( 180) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0029070 k( 181) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0029070 k( 182) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029070 k( 183) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0029070 k( 184) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0029070 k( 185) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0029070 k( 186) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0029070 k( 187) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0029070 k( 188) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0029070 k( 189) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0029070 k( 190) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0029070 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 193) = ( 0.0000000 0.5004884 0.0142411), wk = 0.0029070 k( 194) = ( 0.0000000 0.5009768 0.0284822), wk = 0.0029070 k( 195) = ( 0.0000000 0.5014652 0.0427234), wk = 0.0029070 k( 196) = ( 0.0000000 0.5019537 0.0569645), wk = 0.0029070 k( 197) = ( 0.0000000 0.5024421 0.0712056), wk = 0.0029070 k( 198) = ( 0.0000000 0.5029305 0.0854468), wk = 0.0029070 k( 199) = ( 0.0000000 0.5034189 0.0996879), wk = 0.0029070 k( 200) = ( 0.0000000 0.5039073 0.1139290), wk = 0.0029070 k( 201) = ( 0.0000000 0.5043957 0.1281701), wk = 0.0029070 k( 202) = ( 0.0000000 0.5048841 0.1424113), wk = 0.0029070 k( 203) = ( 0.0000000 0.5053725 0.1566524), wk = 0.0029070 k( 204) = ( 0.0000000 0.5058609 0.1708935), wk = 0.0029070 k( 205) = ( 0.0000000 0.5063493 0.1851346), wk = 0.0029070 k( 206) = ( 0.0000000 0.5068378 0.1993758), wk = 0.0029070 k( 207) = ( 0.0000000 0.5073262 0.2136169), wk = 0.0029070 k( 208) = ( 0.0000000 0.5078146 0.2278580), wk = 0.0029070 k( 209) = ( 0.0000000 0.5083030 0.2420991), wk = 0.0029070 k( 210) = ( 0.0000000 0.5087914 0.2563403), wk = 0.0029070 k( 211) = ( 0.0000000 0.5092798 0.2705814), wk = 0.0029070 k( 212) = ( 0.0000000 0.5097682 0.2848225), wk = 0.0029070 k( 213) = ( 0.0000000 0.5102566 0.2990637), wk = 0.0029070 k( 214) = ( 0.0000000 0.5107451 0.3133048), wk = 0.0029070 k( 215) = ( 0.0000000 0.5112335 0.3275459), wk = 0.0029070 k( 216) = ( 0.0000000 0.5117219 0.3417870), wk = 0.0029070 k( 217) = ( 0.0000000 0.5122103 0.3560282), wk = 0.0029070 k( 218) = ( 0.0000000 0.5126987 0.3702693), wk = 0.0029070 k( 219) = ( 0.0000000 0.5131871 0.3845104), wk = 0.0029070 k( 220) = ( 0.0000000 0.5136755 0.3987515), wk = 0.0029070 k( 221) = ( 0.0000000 0.5141639 0.4129927), wk = 0.0029070 k( 222) = ( 0.0000000 0.5146524 0.4272338), wk = 0.0029070 k( 223) = ( 0.0000000 0.5151408 0.4414749), wk = 0.0029070 k( 224) = ( 0.0000000 0.5156292 0.4557160), wk = 0.0029070 k( 225) = ( 0.5000000 0.4843708 0.5442840), wk = 0.0029070 k( 226) = ( 0.5000000 0.4755641 0.5434788), wk = 0.0029070 k( 227) = ( 0.5000000 0.4667573 0.5426736), wk = 0.0029070 k( 228) = ( 0.5000000 0.4579506 0.5418685), wk = 0.0029070 k( 229) = ( 0.5000000 0.4491439 0.5410633), wk = 0.0029070 k( 230) = ( 0.5000000 0.4403371 0.5402581), wk = 0.0029070 k( 231) = ( 0.5000000 0.4315304 0.5394530), wk = 0.0029070 k( 232) = ( 0.5000000 0.4227236 0.5386478), wk = 0.0029070 k( 233) = ( 0.5000000 0.4139169 0.5378427), wk = 0.0029070 k( 234) = ( 0.5000000 0.4051101 0.5370375), wk = 0.0029070 k( 235) = ( 0.5000000 0.3963034 0.5362323), wk = 0.0029070 k( 236) = ( 0.5000000 0.3874967 0.5354272), wk = 0.0029070 k( 237) = ( 0.5000000 0.3786899 0.5346220), wk = 0.0029070 k( 238) = ( 0.5000000 0.3698832 0.5338168), wk = 0.0029070 k( 239) = ( 0.5000000 0.3610764 0.5330117), wk = 0.0029070 k( 240) = ( 0.5000000 0.3522697 0.5322065), wk = 0.0029070 k( 241) = ( 0.5000000 0.3434629 0.5314013), wk = 0.0029070 k( 242) = ( 0.5000000 0.3346562 0.5305962), wk = 0.0029070 k( 243) = ( 0.5000000 0.3258495 0.5297910), wk = 0.0029070 k( 244) = ( 0.5000000 0.3170427 0.5289859), wk = 0.0029070 k( 245) = ( 0.5000000 0.3082360 0.5281807), wk = 0.0029070 k( 246) = ( 0.5000000 0.2994292 0.5273755), wk = 0.0029070 k( 247) = ( 0.5000000 0.2906225 0.5265704), wk = 0.0029070 k( 248) = ( 0.5000000 0.2818157 0.5257652), wk = 0.0029070 k( 249) = ( 0.5000000 0.2730090 0.5249601), wk = 0.0029070 k( 250) = ( 0.5000000 0.2642023 0.5241549), wk = 0.0029070 k( 251) = ( 0.5000000 0.2553955 0.5233497), wk = 0.0029070 k( 252) = ( 0.5000000 0.2465888 0.5225446), wk = 0.0029070 k( 253) = ( 0.5000000 0.2377820 0.5217394), wk = 0.0029070 k( 254) = ( 0.5000000 0.2289753 0.5209342), wk = 0.0029070 k( 255) = ( 0.5000000 0.2201685 0.5201291), wk = 0.0029070 k( 256) = ( 0.5000000 0.2113618 0.5193239), wk = 0.0029070 k( 257) = ( 0.5000000 0.2025551 0.5185188), wk = 0.0029070 k( 258) = ( 0.5000000 0.1937483 0.5177136), wk = 0.0029070 k( 259) = ( 0.5000000 0.1849416 0.5169084), wk = 0.0029070 k( 260) = ( 0.5000000 0.1761348 0.5161033), wk = 0.0029070 k( 261) = ( 0.5000000 0.1673281 0.5152981), wk = 0.0029070 k( 262) = ( 0.5000000 0.1585214 0.5144929), wk = 0.0029070 k( 263) = ( 0.5000000 0.1497146 0.5136878), wk = 0.0029070 k( 264) = ( 0.5000000 0.1409079 0.5128826), wk = 0.0029070 k( 265) = ( 0.5000000 0.1321011 0.5120774), wk = 0.0029070 k( 266) = ( 0.5000000 0.1232944 0.5112723), wk = 0.0029070 k( 267) = ( 0.5000000 0.1144876 0.5104671), wk = 0.0029070 k( 268) = ( 0.5000000 0.1056809 0.5096620), wk = 0.0029070 k( 269) = ( 0.5000000 0.0968742 0.5088568), wk = 0.0029070 k( 270) = ( 0.5000000 0.0880674 0.5080516), wk = 0.0029070 k( 271) = ( 0.5000000 0.0792607 0.5072465), wk = 0.0029070 k( 272) = ( 0.5000000 0.0704539 0.5064413), wk = 0.0029070 k( 273) = ( 0.5000000 0.0616472 0.5056361), wk = 0.0029070 k( 274) = ( 0.5000000 0.0528404 0.5048310), wk = 0.0029070 k( 275) = ( 0.5000000 0.0440337 0.5040258), wk = 0.0029070 k( 276) = ( 0.5000000 0.0352270 0.5032207), wk = 0.0029070 k( 277) = ( 0.5000000 0.0264202 0.5024155), wk = 0.0029070 k( 278) = ( 0.5000000 0.0176135 0.5016103), wk = 0.0029070 k( 279) = ( 0.5000000 0.0088067 0.5008052), wk = 0.0029070 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 k( 281) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 k( 282) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0029070 k( 283) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0029070 k( 284) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0029070 k( 285) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0029070 k( 286) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0029070 k( 287) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0029070 k( 288) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029070 k( 289) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0029070 k( 290) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0029070 k( 291) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0029070 k( 292) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0029070 k( 293) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0029070 k( 294) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0029070 k( 295) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029070 k( 296) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0029070 k( 297) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0029070 k( 298) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0029070 k( 299) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0029070 k( 300) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0029070 k( 301) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0029070 k( 302) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029070 k( 303) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0029070 k( 304) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0029070 k( 305) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0029070 k( 306) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0029070 k( 307) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0029070 k( 308) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0029070 k( 309) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029070 k( 310) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0029070 k( 311) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0029070 k( 312) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0029070 k( 313) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0029070 k( 314) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0029070 k( 315) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0029070 k( 316) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 318) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0029070 k( 319) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0029070 k( 320) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0029070 k( 321) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0029070 k( 322) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0029070 k( 323) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0029070 k( 324) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0029070 k( 325) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0029070 k( 326) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0029070 k( 327) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0029070 k( 328) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0029070 k( 329) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0029070 k( 330) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0029070 k( 331) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0029070 k( 332) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0029070 k( 333) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0029070 k( 334) = ( 0.3148148 0.0000000 0.5000000), wk = 0.0029070 k( 335) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0029070 k( 336) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0029070 k( 337) = ( 0.3703704 0.0000000 0.5000000), wk = 0.0029070 k( 338) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0029070 k( 339) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0029070 k( 340) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0029070 k( 341) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0029070 k( 342) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0029070 k( 343) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0029070 k( 344) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 Dense grid: 118767 G-vectors FFT dimensions: ( 90, 45, 72) Smooth grid: 25791 G-vectors FFT dimensions: ( 54, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 142, 52) NL pseudopotentials 0.15 Mb ( 71, 136) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2474) G-vector shells 0.02 Mb ( 2442) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 142, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiPd.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 43.9 secs Computing kpt #: 3 total cpu time spent up to now is 45.2 secs Computing kpt #: 4 total cpu time spent up to now is 46.4 secs Computing kpt #: 5 total cpu time spent up to now is 47.6 secs Computing kpt #: 6 total cpu time spent up to now is 48.8 secs Computing kpt #: 7 total cpu time spent up to now is 50.0 secs Computing kpt #: 8 total cpu time spent up to now is 51.2 secs Computing kpt #: 9 total cpu time spent up to now is 52.4 secs Computing kpt #: 10 total cpu time spent up to now is 53.7 secs Computing kpt #: 11 total cpu time spent up to now is 55.0 secs Computing kpt #: 12 total cpu time spent up to now is 56.6 secs Computing kpt #: 13 total cpu time spent up to now is 58.4 secs Computing kpt #: 14 total cpu time spent up to now is 59.6 secs Computing kpt #: 15 total cpu time spent up to now is 60.9 secs Computing kpt #: 16 total cpu time spent up to now is 62.1 secs Computing kpt #: 17 total cpu time spent up to now is 63.3 secs Computing kpt #: 18 total cpu time spent up to now is 64.6 secs Computing kpt #: 19 total cpu time spent up to now is 65.8 secs Computing kpt #: 20 total cpu time spent up to now is 67.0 secs Computing kpt #: 21 total cpu time spent up to now is 68.2 secs Computing kpt #: 22 total cpu time spent up to now is 69.4 secs Computing kpt #: 23 total cpu time spent up to now is 70.6 secs Computing kpt #: 24 total cpu time spent up to now is 71.8 secs Computing kpt #: 25 total cpu time spent up to now is 72.9 secs Computing kpt #: 26 total cpu time spent up to now is 74.1 secs Computing kpt #: 27 total cpu time spent up to now is 75.2 secs Computing kpt #: 28 total cpu time spent up to now is 76.3 secs Computing kpt #: 29 total cpu time spent up to now is 77.5 secs Computing kpt #: 30 total cpu time spent up to now is 78.6 secs Computing kpt #: 31 total cpu time spent up to now is 79.7 secs Computing kpt #: 32 total cpu time spent up to now is 81.0 secs Computing kpt #: 33 total cpu time spent up to now is 82.1 secs Computing kpt #: 34 total cpu time spent up to now is 83.3 secs Computing kpt #: 35 total cpu time spent up to now is 84.5 secs Computing kpt #: 36 total cpu time spent up to now is 85.7 secs Computing kpt #: 37 total cpu time spent up to now is 86.9 secs Computing kpt #: 38 total cpu time spent up to now is 88.0 secs Computing kpt #: 39 total cpu time spent up to now is 89.2 secs Computing kpt #: 40 total cpu time spent up to now is 90.3 secs Computing kpt #: 41 total cpu time spent up to now is 91.4 secs Computing kpt #: 42 total cpu time spent up to now is 92.5 secs Computing kpt #: 43 total cpu time spent up to now is 93.5 secs Computing kpt #: 44 total cpu time spent up to now is 94.6 secs Computing kpt #: 45 total cpu time spent up to now is 95.8 secs Computing kpt #: 46 total cpu time spent up to now is 96.9 secs Computing kpt #: 47 total cpu time spent up to now is 98.0 secs Computing kpt #: 48 total cpu time spent up to now is 99.1 secs Computing kpt #: 49 total cpu time spent up to now is 100.2 secs Computing kpt #: 50 total cpu time spent up to now is 101.3 secs Computing kpt #: 51 total cpu time spent up to now is 102.5 secs Computing kpt #: 52 total cpu time spent up to now is 103.6 secs Computing kpt #: 53 total cpu time spent up to now is 104.8 secs Computing kpt #: 54 total cpu time spent up to now is 105.9 secs Computing kpt #: 55 total cpu time spent up to now is 107.1 secs Computing kpt #: 56 total cpu time spent up to now is 108.3 secs Computing kpt #: 57 total cpu time spent up to now is 109.6 secs Computing kpt #: 58 total cpu time spent up to now is 110.8 secs Computing kpt #: 59 total cpu time spent up to now is 112.0 secs Computing kpt #: 60 total cpu time spent up to now is 113.2 secs Computing kpt #: 61 total cpu time spent up to now is 114.4 secs Computing kpt #: 62 total cpu time spent up to now is 115.6 secs Computing kpt #: 63 total cpu time spent up to now is 116.8 secs Computing kpt #: 64 total cpu time spent up to now is 118.0 secs Computing kpt #: 65 total cpu time spent up to now is 119.3 secs Computing kpt #: 66 total cpu time spent up to now is 120.5 secs Computing kpt #: 67 total cpu time spent up to now is 121.8 secs Computing kpt #: 68 total cpu time spent up to now is 123.0 secs Computing kpt #: 69 total cpu time spent up to now is 124.2 secs Computing kpt #: 70 total cpu time spent up to now is 125.4 secs Computing kpt #: 71 total cpu time spent up to now is 126.6 secs Computing kpt #: 72 total cpu time spent up to now is 127.8 secs Computing kpt #: 73 total cpu time spent up to now is 129.1 secs Computing kpt #: 74 total cpu time spent up to now is 130.6 secs Computing kpt #: 75 total cpu time spent up to now is 132.1 secs Computing kpt #: 76 total cpu time spent up to now is 133.6 secs Computing kpt #: 77 total cpu time spent up to now is 135.0 secs Computing kpt #: 78 total cpu time spent up to now is 136.5 secs Computing kpt #: 79 total cpu time spent up to now is 138.0 secs Computing kpt #: 80 total cpu time spent up to now is 139.4 secs Computing kpt #: 81 total cpu time spent up to now is 141.1 secs Computing kpt #: 82 total cpu time spent up to now is 142.7 secs Computing kpt #: 83 total cpu time spent up to now is 144.2 secs Computing kpt #: 84 total cpu time spent up to now is 145.7 secs Computing kpt #: 85 total cpu time spent up to now is 147.2 secs Computing kpt #: 86 total cpu time spent up to now is 148.7 secs Computing kpt #: 87 total cpu time spent up to now is 150.1 secs Computing kpt #: 88 total cpu time spent up to now is 151.6 secs Computing kpt #: 89 total cpu time spent up to now is 152.9 secs Computing kpt #: 90 total cpu time spent up to now is 154.3 secs Computing kpt #: 91 total cpu time spent up to now is 155.5 secs Computing kpt #: 92 total cpu time spent up to now is 156.7 secs Computing kpt #: 93 total cpu time spent up to now is 157.9 secs Computing kpt #: 94 total cpu time spent up to now is 159.1 secs Computing kpt #: 95 total cpu time spent up to now is 160.3 secs Computing kpt #: 96 total cpu time spent up to now is 161.5 secs Computing kpt #: 97 total cpu time spent up to now is 162.7 secs Computing kpt #: 98 total cpu time spent up to now is 163.8 secs Computing kpt #: 99 total cpu time spent up to now is 165.0 secs Computing kpt #: 100 total cpu time spent up to now is 166.2 secs Computing kpt #: 101 total cpu time spent up to now is 167.5 secs Computing kpt #: 102 total cpu time spent up to now is 168.7 secs Computing kpt #: 103 total cpu time spent up to now is 169.9 secs Computing kpt #: 104 total cpu time spent up to now is 171.1 secs Computing kpt #: 105 total cpu time spent up to now is 172.3 secs Computing kpt #: 106 total cpu time spent up to now is 173.6 secs Computing kpt #: 107 total cpu time spent up to now is 174.9 secs Computing kpt #: 108 total cpu time spent up to now is 176.2 secs Computing kpt #: 109 total cpu time spent up to now is 177.6 secs Computing kpt #: 110 total cpu time spent up to now is 179.0 secs Computing kpt #: 111 total cpu time spent up to now is 180.3 secs Computing kpt #: 112 total cpu time spent up to now is 181.5 secs Computing kpt #: 113 total cpu time spent up to now is 182.9 secs Computing kpt #: 114 total cpu time spent up to now is 184.3 secs Computing kpt #: 115 total cpu time spent up to now is 185.9 secs Computing kpt #: 116 total cpu time spent up to now is 187.6 secs Computing kpt #: 117 total cpu time spent up to now is 189.4 secs Computing kpt #: 118 total cpu time spent up to now is 190.9 secs Computing kpt #: 119 total cpu time spent up to now is 192.5 secs Computing kpt #: 120 total cpu time spent up to now is 194.1 secs Computing kpt #: 121 total cpu time spent up to now is 195.8 secs Computing kpt #: 122 total cpu time spent up to now is 197.5 secs Computing kpt #: 123 total cpu time spent up to now is 199.1 secs Computing kpt #: 124 total cpu time spent up to now is 200.4 secs Computing kpt #: 125 total cpu time spent up to now is 202.0 secs Computing kpt #: 126 total cpu time spent up to now is 203.5 secs Computing kpt #: 127 total cpu time spent up to now is 205.1 secs Computing kpt #: 128 total cpu time spent up to now is 206.6 secs Computing kpt #: 129 total cpu time spent up to now is 208.1 secs Computing kpt #: 130 total cpu time spent up to now is 209.7 secs Computing kpt #: 131 total cpu time spent up to now is 211.2 secs Computing kpt #: 132 total cpu time spent up to now is 212.6 secs Computing kpt #: 133 total cpu time spent up to now is 214.0 secs Computing kpt #: 134 total cpu time spent up to now is 215.5 secs Computing kpt #: 135 total cpu time spent up to now is 217.4 secs Computing kpt #: 136 total cpu time spent up to now is 219.1 secs Computing kpt #: 137 total cpu time spent up to now is 220.8 secs Computing kpt #: 138 total cpu time spent up to now is 222.4 secs Computing kpt #: 139 total cpu time spent up to now is 224.1 secs Computing kpt #: 140 total cpu time spent up to now is 225.6 secs Computing kpt #: 141 total cpu time spent up to now is 227.4 secs Computing kpt #: 142 total cpu time spent up to now is 229.1 secs Computing kpt #: 143 total cpu time spent up to now is 230.6 secs Computing kpt #: 144 total cpu time spent up to now is 232.2 secs Computing kpt #: 145 total cpu time spent up to now is 233.7 secs Computing kpt #: 146 total cpu time spent up to now is 235.1 secs Computing kpt #: 147 total cpu time spent up to now is 236.4 secs Computing kpt #: 148 total cpu time spent up to now is 237.8 secs Computing kpt #: 149 total cpu time spent up to now is 239.2 secs Computing kpt #: 150 total cpu time spent up to now is 240.4 secs Computing kpt #: 151 total cpu time spent up to now is 241.6 secs Computing kpt #: 152 total cpu time spent up to now is 242.8 secs Computing kpt #: 153 total cpu time spent up to now is 244.0 secs Computing kpt #: 154 total cpu time spent up to now is 245.2 secs Computing kpt #: 155 total cpu time spent up to now is 246.6 secs Computing kpt #: 156 total cpu time spent up to now is 247.7 secs Computing kpt #: 157 total cpu time spent up to now is 249.1 secs Computing kpt #: 158 total cpu time spent up to now is 250.3 secs Computing kpt #: 159 total cpu time spent up to now is 251.5 secs Computing kpt #: 160 total cpu time spent up to now is 252.7 secs Computing kpt #: 161 total cpu time spent up to now is 253.9 secs Computing kpt #: 162 total cpu time spent up to now is 255.1 secs Computing kpt #: 163 total cpu time spent up to now is 256.2 secs Computing kpt #: 164 total cpu time spent up to now is 257.4 secs Computing kpt #: 165 total cpu time spent up to now is 258.6 secs Computing kpt #: 166 total cpu time spent up to now is 259.8 secs Computing kpt #: 167 total cpu time spent up to now is 260.9 secs Computing kpt #: 168 total cpu time spent up to now is 262.1 secs Computing kpt #: 169 total cpu time spent up to now is 263.4 secs Computing kpt #: 170 total cpu time spent up to now is 264.7 secs Computing kpt #: 171 total cpu time spent up to now is 265.9 secs Computing kpt #: 172 total cpu time spent up to now is 267.1 secs Computing kpt #: 173 total cpu time spent up to now is 268.3 secs Computing kpt #: 174 total cpu time spent up to now is 269.5 secs Computing kpt #: 175 total cpu time spent up to now is 270.7 secs Computing kpt #: 176 total cpu time spent up to now is 271.8 secs Computing kpt #: 177 total cpu time spent up to now is 273.0 secs Computing kpt #: 178 total cpu time spent up to now is 274.2 secs Computing kpt #: 179 total cpu time spent up to now is 275.4 secs Computing kpt #: 180 total cpu time spent up to now is 276.5 secs Computing kpt #: 181 total cpu time spent up to now is 277.7 secs Computing kpt #: 182 total cpu time spent up to now is 278.9 secs Computing kpt #: 183 total cpu time spent up to now is 280.0 secs Computing kpt #: 184 total cpu time spent up to now is 281.3 secs Computing kpt #: 185 total cpu time spent up to now is 282.5 secs Computing kpt #: 186 total cpu time spent up to now is 283.7 secs Computing kpt #: 187 total cpu time spent up to now is 284.8 secs Computing kpt #: 188 total cpu time spent up to now is 286.0 secs Computing kpt #: 189 total cpu time spent up to now is 287.2 secs Computing kpt #: 190 total cpu time spent up to now is 288.3 secs Computing kpt #: 191 total cpu time spent up to now is 289.5 secs Computing kpt #: 192 total cpu time spent up to now is 290.7 secs Computing kpt #: 193 total cpu time spent up to now is 291.8 secs Computing kpt #: 194 total cpu time spent up to now is 293.0 secs Computing kpt #: 195 total cpu time spent up to now is 294.2 secs Computing kpt #: 196 total cpu time spent up to now is 295.4 secs Computing kpt #: 197 total cpu time spent up to now is 296.5 secs Computing kpt #: 198 total cpu time spent up to now is 298.0 secs Computing kpt #: 199 total cpu time spent up to now is 299.2 secs Computing kpt #: 200 total cpu time spent up to now is 300.4 secs Computing kpt #: 201 total cpu time spent up to now is 302.0 secs Computing kpt #: 202 total cpu time spent up to now is 303.6 secs Computing kpt #: 203 total cpu time spent up to now is 304.9 secs Computing kpt #: 204 total cpu time spent up to now is 306.3 secs Computing kpt #: 205 total cpu time spent up to now is 308.1 secs Computing kpt #: 206 total cpu time spent up to now is 309.8 secs Computing kpt #: 207 total cpu time spent up to now is 311.4 secs Computing kpt #: 208 total cpu time spent up to now is 312.9 secs Computing kpt #: 209 total cpu time spent up to now is 314.6 secs Computing kpt #: 210 total cpu time spent up to now is 316.2 secs Computing kpt #: 211 total cpu time spent up to now is 319.0 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.4 secs Computing kpt #: 213 total cpu time spent up to now is 324.7 secs Computing kpt #: 214 total cpu time spent up to now is 326.4 secs Computing kpt #: 215 total cpu time spent up to now is 328.0 secs Computing kpt #: 216 total cpu time spent up to now is 329.7 secs Computing kpt #: 217 total cpu time spent up to now is 331.3 secs Computing kpt #: 218 total cpu time spent up to now is 332.8 secs Computing kpt #: 219 total cpu time spent up to now is 334.2 secs Computing kpt #: 220 total cpu time spent up to now is 335.5 secs Computing kpt #: 221 total cpu time spent up to now is 336.8 secs Computing kpt #: 222 total cpu time spent up to now is 338.1 secs Computing kpt #: 223 total cpu time spent up to now is 339.3 secs Computing kpt #: 224 total cpu time spent up to now is 340.5 secs Computing kpt #: 225 total cpu time spent up to now is 342.1 secs Computing kpt #: 226 total cpu time spent up to now is 343.7 secs Computing kpt #: 227 total cpu time spent up to now is 345.4 secs Computing kpt #: 228 total cpu time spent up to now is 347.2 secs Computing kpt #: 229 total cpu time spent up to now is 348.9 secs Computing kpt #: 230 total cpu time spent up to now is 350.7 secs Computing kpt #: 231 total cpu time spent up to now is 352.5 secs Computing kpt #: 232 total cpu time spent up to now is 355.0 secs Computing kpt #: 233 total cpu time spent up to now is 357.4 secs Computing kpt #: 234 total cpu time spent up to now is 360.0 secs Computing kpt #: 235 total cpu time spent up to now is 362.4 secs Computing kpt #: 236 total cpu time spent up to now is 364.9 secs Computing kpt #: 237 total cpu time spent up to now is 366.8 secs Computing kpt #: 238 total cpu time spent up to now is 368.8 secs Computing kpt #: 239 total cpu time spent up to now is 370.7 secs Computing kpt #: 240 total cpu time spent up to now is 372.6 secs Computing kpt #: 241 total cpu time spent up to now is 374.4 secs Computing kpt #: 242 total cpu time spent up to now is 376.3 secs Computing kpt #: 243 total cpu time spent up to now is 378.1 secs Computing kpt #: 244 total cpu time spent up to now is 379.9 secs Computing kpt #: 245 total cpu time spent up to now is 381.6 secs Computing kpt #: 246 total cpu time spent up to now is 383.2 secs Computing kpt #: 247 total cpu time spent up to now is 384.8 secs Computing kpt #: 248 total cpu time spent up to now is 386.4 secs Computing kpt #: 249 total cpu time spent up to now is 387.8 secs Computing kpt #: 250 total cpu time spent up to now is 389.3 secs Computing kpt #: 251 total cpu time spent up to now is 390.7 secs Computing kpt #: 252 total cpu time spent up to now is 392.2 secs Computing kpt #: 253 total cpu time spent up to now is 393.8 secs Computing kpt #: 254 total cpu time spent up to now is 395.5 secs Computing kpt #: 255 total cpu time spent up to now is 397.1 secs Computing kpt #: 256 total cpu time spent up to now is 398.7 secs Computing kpt #: 257 total cpu time spent up to now is 400.0 secs Computing kpt #: 258 total cpu time spent up to now is 401.5 secs Computing kpt #: 259 total cpu time spent up to now is 402.9 secs Computing kpt #: 260 total cpu time spent up to now is 404.0 secs Computing kpt #: 261 total cpu time spent up to now is 405.2 secs Computing kpt #: 262 total cpu time spent up to now is 406.3 secs Computing kpt #: 263 total cpu time spent up to now is 407.5 secs Computing kpt #: 264 total cpu time spent up to now is 408.6 secs Computing kpt #: 265 total cpu time spent up to now is 409.8 secs Computing kpt #: 266 total cpu time spent up to now is 410.9 secs Computing kpt #: 267 total cpu time spent up to now is 412.0 secs Computing kpt #: 268 total cpu time spent up to now is 413.2 secs Computing kpt #: 269 total cpu time spent up to now is 414.3 secs Computing kpt #: 270 total cpu time spent up to now is 415.5 secs Computing kpt #: 271 total cpu time spent up to now is 416.8 secs Computing kpt #: 272 total cpu time spent up to now is 417.9 secs Computing kpt #: 273 total cpu time spent up to now is 419.1 secs Computing kpt #: 274 total cpu time spent up to now is 420.3 secs Computing kpt #: 275 total cpu time spent up to now is 421.4 secs Computing kpt #: 276 total cpu time spent up to now is 422.5 secs Computing kpt #: 277 total cpu time spent up to now is 423.6 secs Computing kpt #: 278 total cpu time spent up to now is 424.7 secs Computing kpt #: 279 total cpu time spent up to now is 425.8 secs Computing kpt #: 280 total cpu time spent up to now is 426.9 secs Computing kpt #: 281 total cpu time spent up to now is 428.0 secs Computing kpt #: 282 total cpu time spent up to now is 429.1 secs Computing kpt #: 283 total cpu time spent up to now is 430.1 secs Computing kpt #: 284 total cpu time spent up to now is 431.3 secs Computing kpt #: 285 total cpu time spent up to now is 432.5 secs Computing kpt #: 286 total cpu time spent up to now is 433.7 secs Computing kpt #: 287 total cpu time spent up to now is 434.8 secs Computing kpt #: 288 total cpu time spent up to now is 435.9 secs Computing kpt #: 289 total cpu time spent up to now is 437.1 secs Computing kpt #: 290 total cpu time spent up to now is 438.4 secs Computing kpt #: 291 total cpu time spent up to now is 439.6 secs Computing kpt #: 292 total cpu time spent up to now is 440.7 secs Computing kpt #: 293 total cpu time spent up to now is 441.9 secs Computing kpt #: 294 total cpu time spent up to now is 443.0 secs Computing kpt #: 295 total cpu time spent up to now is 444.4 secs Computing kpt #: 296 total cpu time spent up to now is 445.9 secs Computing kpt #: 297 total cpu time spent up to now is 447.2 secs Computing kpt #: 298 total cpu time spent up to now is 448.7 secs Computing kpt #: 299 total cpu time spent up to now is 450.2 secs Computing kpt #: 300 total cpu time spent up to now is 451.6 secs Computing kpt #: 301 total cpu time spent up to now is 453.0 secs Computing kpt #: 302 total cpu time spent up to now is 454.4 secs Computing kpt #: 303 total cpu time spent up to now is 455.7 secs Computing kpt #: 304 total cpu time spent up to now is 457.1 secs Computing kpt #: 305 total cpu time spent up to now is 458.3 secs Computing kpt #: 306 total cpu time spent up to now is 459.5 secs Computing kpt #: 307 total cpu time spent up to now is 460.7 secs Computing kpt #: 308 total cpu time spent up to now is 462.0 secs Computing kpt #: 309 total cpu time spent up to now is 463.2 secs Computing kpt #: 310 total cpu time spent up to now is 464.4 secs Computing kpt #: 311 total cpu time spent up to now is 465.6 secs Computing kpt #: 312 total cpu time spent up to now is 466.9 secs Computing kpt #: 313 total cpu time spent up to now is 468.0 secs Computing kpt #: 314 total cpu time spent up to now is 469.1 secs Computing kpt #: 315 total cpu time spent up to now is 470.2 secs Computing kpt #: 316 total cpu time spent up to now is 471.4 secs Computing kpt #: 317 total cpu time spent up to now is 472.6 secs Computing kpt #: 318 total cpu time spent up to now is 473.6 secs Computing kpt #: 319 total cpu time spent up to now is 474.7 secs Computing kpt #: 320 total cpu time spent up to now is 475.8 secs Computing kpt #: 321 total cpu time spent up to now is 476.9 secs Computing kpt #: 322 total cpu time spent up to now is 478.1 secs Computing kpt #: 323 total cpu time spent up to now is 479.2 secs Computing kpt #: 324 total cpu time spent up to now is 480.4 secs Computing kpt #: 325 total cpu time spent up to now is 481.6 secs Computing kpt #: 326 total cpu time spent up to now is 482.7 secs Computing kpt #: 327 total cpu time spent up to now is 483.9 secs Computing kpt #: 328 total cpu time spent up to now is 485.0 secs Computing kpt #: 329 total cpu time spent up to now is 486.2 secs Computing kpt #: 330 total cpu time spent up to now is 487.5 secs Computing kpt #: 331 total cpu time spent up to now is 488.7 secs Computing kpt #: 332 total cpu time spent up to now is 489.8 secs Computing kpt #: 333 total cpu time spent up to now is 490.9 secs Computing kpt #: 334 total cpu time spent up to now is 492.1 secs Computing kpt #: 335 total cpu time spent up to now is 493.3 secs Computing kpt #: 336 total cpu time spent up to now is 494.5 secs Computing kpt #: 337 total cpu time spent up to now is 495.6 secs Computing kpt #: 338 total cpu time spent up to now is 496.8 secs Computing kpt #: 339 total cpu time spent up to now is 498.0 secs Computing kpt #: 340 total cpu time spent up to now is 499.2 secs Computing kpt #: 341 total cpu time spent up to now is 500.3 secs Computing kpt #: 342 total cpu time spent up to now is 501.4 secs Computing kpt #: 343 total cpu time spent up to now is 502.5 secs Computing kpt #: 344 total cpu time spent up to now is 503.6 secs ethr = 2.27E-11, avg # of iterations = 23.3 total cpu time spent up to now is 503.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3209 PWs) bands (ev): -45.8091 -45.8091 -45.8045 -45.8045 -22.4854 -22.4854 -22.4576 -22.4576 -21.9311 -21.9311 -21.9007 -21.9007 -21.4981 -21.4981 -21.4967 -21.4967 5.2820 5.2820 6.7680 6.7680 7.0319 7.0319 7.1075 7.1075 7.5729 7.5729 8.1789 8.1789 8.7137 8.7137 8.9349 8.9349 9.0256 9.0256 9.7102 9.7102 10.0231 10.0231 10.3412 10.3412 10.3450 10.3450 11.2851 11.2851 11.3632 11.3632 12.1617 12.1617 12.6237 12.6237 13.2141 13.2141 k = 0.0000 0.0000 0.0185 ( 3209 PWs) bands (ev): -45.8091 -45.8091 -45.8045 -45.8045 -22.4854 -22.4854 -22.4576 -22.4576 -21.9311 -21.9311 -21.9007 -21.9007 -21.4982 -21.4982 -21.4967 -21.4967 5.2838 5.2838 6.7692 6.7692 7.0322 7.0322 7.1083 7.1083 7.5734 7.5734 8.1795 8.1795 8.7133 8.7133 8.9354 8.9354 9.0263 9.0263 9.7102 9.7102 10.0231 10.0231 10.3405 10.3405 10.3442 10.3442 11.2831 11.2831 11.3621 11.3621 12.1603 12.1603 12.6220 12.6220 13.2163 13.2163 k = 0.0000 0.0000 0.0370 ( 3209 PWs) bands (ev): -45.8091 -45.8091 -45.8045 -45.8045 -22.4854 -22.4854 -22.4577 -22.4577 -21.9312 -21.9312 -21.9008 -21.9008 -21.4982 -21.4982 -21.4967 -21.4967 5.2894 5.2894 6.7729 6.7729 7.0333 7.0333 7.1105 7.1105 7.5748 7.5748 8.1813 8.1813 8.7123 8.7123 8.9367 8.9367 9.0283 9.0283 9.7103 9.7103 10.0229 10.0229 10.3365 10.3365 10.3438 10.3438 11.2770 11.2770 11.3587 11.3587 12.1562 12.1562 12.6169 12.6169 13.2228 13.2228 k = 0.0000 0.0000 0.0554 ( 3201 PWs) bands (ev): -45.8091 -45.8091 -45.8045 -45.8045 -22.4854 -22.4854 -22.4578 -22.4578 -21.9312 -21.9312 -21.9009 -21.9009 -21.4981 -21.4981 -21.4967 -21.4967 5.2986 5.2986 6.7790 6.7790 7.0352 7.0352 7.1143 7.1143 7.5771 7.5771 8.1843 8.1843 8.7104 8.7104 8.9390 8.9390 9.0316 9.0316 9.7105 9.7105 10.0226 10.0226 10.3283 10.3283 10.3447 10.3447 11.2669 11.2669 11.3531 11.3531 12.1494 12.1494 12.6084 12.6084 13.2336 13.2336 k = 0.0000 0.0000 0.0739 ( 3195 PWs) bands (ev): -45.8091 -45.8091 -45.8045 -45.8045 -22.4853 -22.4853 -22.4579 -22.4579 -21.9312 -21.9312 -21.9010 -21.9010 -21.4981 -21.4981 -21.4968 -21.4968 5.3115 5.3115 6.7874 6.7874 7.0378 7.0378 7.1196 7.1196 7.5804 7.5804 8.1884 8.1884 8.7078 8.7078 8.9421 8.9421 9.0362 9.0362 9.7108 9.7108 10.0222 10.0222 10.3165 10.3165 10.3463 10.3463 11.2528 11.2528 11.3453 11.3453 12.1400 12.1400 12.5966 12.5966 13.2487 13.2487 k = 0.0000 0.0000 0.0924 ( 3196 PWs) bands (ev): -45.8090 -45.8090 -45.8044 -45.8044 -22.4854 -22.4854 -22.4580 -22.4580 -21.9312 -21.9312 -21.9013 -21.9013 -21.4982 -21.4982 -21.4968 -21.4968 5.3281 5.3281 6.7980 6.7980 7.0412 7.0412 7.1266 7.1266 7.5846 7.5846 8.1937 8.1937 8.7044 8.7044 8.9462 8.9462 9.0421 9.0421 9.7112 9.7112 10.0216 10.0216 10.3013 10.3013 10.3486 10.3486 11.2348 11.2348 11.3354 11.3354 12.1281 12.1281 12.5816 12.5816 13.2679 13.2679 k = 0.0000 0.0000 0.1109 ( 3199 PWs) bands (ev): -45.8090 -45.8090 -45.8044 -45.8044 -22.4854 -22.4854 -22.4582 -22.4582 -21.9313 -21.9313 -21.9015 -21.9015 -21.4983 -21.4983 -21.4969 -21.4969 5.3482 5.3482 6.8104 6.8104 7.0455 7.0455 7.1353 7.1353 7.5897 7.5897 8.2001 8.2001 8.7001 8.7001 8.9511 8.9511 9.0490 9.0490 9.7116 9.7116 10.0208 10.0208 10.2825 10.2825 10.3516 10.3516 11.2129 11.2129 11.3234 11.3234 12.1138 12.1138 12.5634 12.5634 13.2913 13.2913 k = 0.0000 0.0000 0.1294 ( 3199 PWs) bands (ev): -45.8090 -45.8090 -45.8044 -45.8044 -22.4855 -22.4855 -22.4584 -22.4584 -21.9314 -21.9314 -21.9018 -21.9018 -21.4983 -21.4983 -21.4969 -21.4969 5.3720 5.3720 6.8245 6.8245 7.0507 7.0507 7.1459 7.1459 7.5957 7.5957 8.2075 8.2075 8.6947 8.6947 8.9570 8.9570 9.0571 9.0571 9.7120 9.7120 10.0199 10.0199 10.2602 10.2602 10.3554 10.3554 11.1873 11.1873 11.3093 11.3093 12.0972 12.0972 12.5421 12.5421 13.3186 13.3186 k = 0.0000 0.0000 0.1479 ( 3196 PWs) bands (ev): -45.8089 -45.8089 -45.8044 -45.8044 -22.4855 -22.4855 -22.4587 -22.4587 -21.9315 -21.9315 -21.9021 -21.9021 -21.4984 -21.4984 -21.4970 -21.4970 5.3993 5.3993 6.8400 6.8400 7.0569 7.0569 7.1584 7.1584 7.6027 7.6027 8.2161 8.2161 8.6884 8.6884 8.9637 8.9637 9.0662 9.0662 9.7125 9.7125 10.0188 10.0188 10.2344 10.2344 10.3602 10.3602 11.1580 11.1580 11.2934 11.2934 12.0786 12.0786 12.5178 12.5178 13.3497 13.3497 k = 0.0000 0.0000 0.1663 ( 3199 PWs) bands (ev): -45.8089 -45.8089 -45.8044 -45.8044 -22.4856 -22.4856 -22.4589 -22.4589 -21.9317 -21.9317 -21.9025 -21.9025 -21.4984 -21.4984 -21.4970 -21.4970 5.4300 5.4300 6.8564 6.8564 7.0642 7.0642 7.1731 7.1731 7.6106 7.6106 8.2256 8.2256 8.6810 8.6810 8.9711 8.9711 9.0761 9.0761 9.7130 9.7130 10.0175 10.0175 10.2049 10.2049 10.3661 10.3661 11.1252 11.1252 11.2756 11.2756 12.0581 12.0581 12.4908 12.4908 13.3845 13.3845 k = 0.0000 0.0000 0.1848 ( 3199 PWs) bands (ev): -45.8088 -45.8088 -45.8043 -45.8043 -22.4857 -22.4857 -22.4592 -22.4592 -21.9318 -21.9318 -21.9029 -21.9029 -21.4985 -21.4985 -21.4971 -21.4971 5.4642 5.4642 6.8732 6.8732 7.0726 7.0726 7.1902 7.1902 7.6193 7.6193 8.2360 8.2360 8.6725 8.6725 8.9794 8.9794 9.0868 9.0868 9.7134 9.7134 10.0159 10.0159 10.1718 10.1718 10.3731 10.3731 11.0892 11.0892 11.2561 11.2561 12.0361 12.0361 12.4610 12.4610 13.4224 13.4224 k = 0.0000 0.0000 0.2033 ( 3201 PWs) bands (ev): -45.8088 -45.8088 -45.8043 -45.8043 -22.4858 -22.4858 -22.4596 -22.4596 -21.9320 -21.9320 -21.9034 -21.9034 -21.4985 -21.4985 -21.4972 -21.4972 5.5017 5.5017 6.8902 6.8902 7.0823 7.0823 7.2099 7.2099 7.6290 7.6290 8.2474 8.2474 8.6629 8.6629 8.9882 8.9882 9.0982 9.0982 9.7136 9.7136 10.0139 10.0139 10.1353 10.1353 10.3815 10.3815 11.0503 11.0503 11.2351 11.2351 12.0129 12.0129 12.4287 12.4287 13.4110 13.4110 k = 0.0000 0.0000 0.2218 ( 3202 PWs) bands (ev): -45.8087 -45.8087 -45.8043 -45.8043 -22.4858 -22.4858 -22.4599 -22.4599 -21.9321 -21.9321 -21.9038 -21.9038 -21.4986 -21.4986 -21.4973 -21.4973 5.5425 5.5425 6.9068 6.9068 7.0932 7.0932 7.2325 7.2325 7.6396 7.6396 8.2595 8.2595 8.6521 8.6521 8.9976 8.9976 9.1101 9.1101 9.7136 9.7136 10.0112 10.0112 10.0956 10.0956 10.3912 10.3912 11.0088 11.0088 11.2125 11.2125 11.9887 11.9887 12.3941 12.3941 13.3255 13.3255 k = 0.0000 0.0000 0.2403 ( 3204 PWs) bands (ev): -45.8087 -45.8087 -45.8043 -45.8043 -22.4859 -22.4859 -22.4603 -22.4603 -21.9323 -21.9323 -21.9043 -21.9043 -21.4987 -21.4987 -21.4974 -21.4974 5.5865 5.5865 6.9226 6.9226 7.1053 7.1053 7.2581 7.2581 7.6510 7.6510 8.2724 8.2724 8.6401 8.6401 9.0074 9.0074 9.1224 9.1224 9.7130 9.7130 10.0061 10.0061 10.0546 10.0546 10.4023 10.4023 10.9651 10.9651 11.1885 11.1885 11.9640 11.9640 12.3572 12.3572 13.2403 13.2403 k = 0.0000 0.0000 0.2587 ( 3201 PWs) bands (ev): -45.8086 -45.8086 -45.8042 -45.8042 -22.4860 -22.4860 -22.4606 -22.4606 -21.9324 -21.9324 -21.9048 -21.9048 -21.4988 -21.4988 -21.4975 -21.4975 5.6335 5.6335 6.9373 6.9373 7.1186 7.1186 7.2867 7.2867 7.6633 7.6633 8.2859 8.2859 8.6270 8.6270 9.0175 9.0175 9.1349 9.1349 9.7115 9.7115 9.9879 9.9879 10.0235 10.0235 10.4150 10.4150 10.9197 10.9197 11.1633 11.1633 11.9391 11.9391 12.3184 12.3184 13.1566 13.1566 k = 0.0000 0.0000 0.2772 ( 3203 PWs) bands (ev): -45.8085 -45.8085 -45.8042 -45.8042 -22.4861 -22.4861 -22.4610 -22.4610 -21.9326 -21.9326 -21.9053 -21.9053 -21.4989 -21.4989 -21.4976 -21.4976 5.6835 5.6835 6.9507 6.9507 7.1331 7.1331 7.3185 7.3185 7.6765 7.6765 8.2998 8.2998 8.6127 8.6127 9.0278 9.0278 9.1476 9.1476 9.7081 9.7081 9.9459 9.9459 10.0139 10.0139 10.4293 10.4293 10.8731 10.8731 11.1369 11.1369 11.9144 11.9144 12.2777 12.2777 13.0746 13.0746 k = 0.0000 0.0000 0.2957 ( 3203 PWs) bands (ev): -45.8085 -45.8085 -45.8042 -45.8042 -22.4862 -22.4862 -22.4614 -22.4614 -21.9327 -21.9327 -21.9059 -21.9059 -21.4989 -21.4989 -21.4977 -21.4977 5.7362 5.7362 6.9629 6.9629 7.1488 7.1488 7.3531 7.3531 7.6905 7.6905 8.3142 8.3142 8.5974 8.5974 9.0379 9.0379 9.1601 9.1601 9.7012 9.7012 9.8976 9.8976 10.0100 10.0100 10.4452 10.4452 10.8259 10.8259 11.1095 11.1095 11.8902 11.8902 12.2354 12.2354 12.9948 12.9948 k = 0.0000 0.0000 0.3142 ( 3203 PWs) bands (ev): -45.8084 -45.8084 -45.8041 -45.8041 -22.4862 -22.4862 -22.4618 -22.4618 -21.9329 -21.9329 -21.9064 -21.9064 -21.4990 -21.4990 -21.4978 -21.4978 5.7916 5.7916 6.9736 6.9736 7.1654 7.1654 7.3904 7.3904 7.7053 7.7053 8.3288 8.3288 8.5811 8.5811 9.0477 9.0477 9.1724 9.1724 9.6872 9.6872 9.8517 9.8517 10.0072 10.0072 10.4626 10.4626 10.7786 10.7786 11.0811 11.0811 11.8667 11.8667 12.1917 12.1917 12.9174 12.9174 k = 0.0000 0.0000 0.3327 ( 3207 PWs) bands (ev): -45.8083 -45.8083 -45.8041 -45.8041 -22.4863 -22.4863 -22.4622 -22.4622 -21.9330 -21.9330 -21.9070 -21.9070 -21.4991 -21.4991 -21.4979 -21.4979 5.8494 5.8494 6.9831 6.9831 7.1831 7.1831 7.4300 7.4300 7.7210 7.7210 8.3433 8.3433 8.5638 8.5638 9.0569 9.0569 9.1843 9.1843 9.6602 9.6602 9.8151 9.8151 10.0048 10.0048 10.4816 10.4816 10.7318 10.7318 11.0519 11.0519 11.8444 11.8444 12.1468 12.1468 12.8425 12.8425 k = 0.0000 0.0000 0.3512 ( 3215 PWs) bands (ev): -45.8083 -45.8083 -45.8041 -45.8041 -22.4864 -22.4864 -22.4627 -22.4627 -21.9332 -21.9332 -21.9076 -21.9076 -21.4992 -21.4992 -21.4981 -21.4981 5.9094 5.9094 6.9912 6.9912 7.2017 7.2017 7.4714 7.4714 7.7375 7.7375 8.3577 8.3577 8.5457 8.5457 9.0650 9.0650 9.1955 9.1955 9.6168 9.6168 9.7923 9.7923 10.0025 10.0025 10.5022 10.5022 10.6859 10.6859 11.0220 11.0220 11.8233 11.8233 12.1009 12.1009 12.7703 12.7703 k = 0.0000 0.0000 0.3696 ( 3215 PWs) bands (ev): -45.8082 -45.8082 -45.8040 -45.8040 -22.4865 -22.4865 -22.4631 -22.4631 -21.9334 -21.9334 -21.9081 -21.9081 -21.4993 -21.4993 -21.4982 -21.4982 5.9714 5.9714 6.9982 6.9982 7.2215 7.2215 7.5141 7.5141 7.7548 7.7548 8.3715 8.3715 8.5269 8.5269 9.0715 9.0715 9.2060 9.2060 9.5607 9.5607 9.7805 9.7805 10.0003 10.0003 10.5241 10.5241 10.6415 10.6415 10.9914 10.9914 11.8037 11.8037 12.0542 12.0542 12.7010 12.7010 k = 0.0000 0.0000 0.3881 ( 3219 PWs) bands (ev): -45.8081 -45.8081 -45.8040 -45.8040 -22.4866 -22.4866 -22.4635 -22.4635 -21.9335 -21.9335 -21.9087 -21.9087 -21.4994 -21.4994 -21.4983 -21.4983 6.0350 6.0350 7.0039 7.0039 7.2423 7.2423 7.5575 7.5575 7.7729 7.7729 8.3843 8.3843 8.5078 8.5078 9.0753 9.0753 9.2154 9.2154 9.4987 9.4987 9.7750 9.7750 9.9982 9.9982 10.5468 10.5468 10.5995 10.5995 10.9603 10.9603 11.7857 11.7857 12.0070 12.0070 12.6348 12.6348 k = 0.0000 0.0000 0.4066 ( 3219 PWs) bands (ev): -45.8081 -45.8081 -45.8040 -45.8040 -22.4866 -22.4866 -22.4639 -22.4639 -21.9336 -21.9336 -21.9092 -21.9092 -21.4995 -21.4995 -21.4984 -21.4984 6.1000 6.1000 7.0083 7.0083 7.2645 7.2645 7.6010 7.6010 7.7917 7.7917 8.3953 8.3953 8.4889 8.4889 9.0747 9.0747 9.2235 9.2235 9.4362 9.4362 9.7728 9.7728 9.9961 9.9961 10.5531 10.5531 10.5771 10.5771 10.9289 10.9289 11.7694 11.7694 11.9596 11.9596 12.5718 12.5718 k = 0.0000 0.0000 0.4251 ( 3219 PWs) bands (ev): -45.8080 -45.8080 -45.8039 -45.8039 -22.4867 -22.4867 -22.4643 -22.4643 -21.9337 -21.9337 -21.9097 -21.9097 -21.4995 -21.4995 -21.4985 -21.4985 6.1658 6.1658 7.0115 7.0115 7.2880 7.2880 7.6437 7.6437 7.8114 7.8114 8.4030 8.4030 8.4714 8.4714 9.0671 9.0671 9.2297 9.2297 9.3788 9.3788 9.7724 9.7724 9.9941 9.9941 10.5174 10.5174 10.6001 10.6001 10.8972 10.8972 11.7548 11.7548 11.9121 11.9121 12.5123 12.5123 k = 0.0000 0.0000 0.4436 ( 3217 PWs) bands (ev): -45.8079 -45.8079 -45.8039 -45.8039 -22.4867 -22.4867 -22.4646 -22.4646 -21.9339 -21.9339 -21.9102 -21.9102 -21.4996 -21.4996 -21.4986 -21.4986 6.2321 6.2321 7.0133 7.0133 7.3131 7.3131 7.6848 7.6848 7.8317 7.8317 8.4037 8.4037 8.4584 8.4584 9.0487 9.0487 9.2334 9.2334 9.3328 9.3328 9.7731 9.7731 9.9921 9.9921 10.4817 10.4817 10.6266 10.6266 10.8657 10.8657 11.7420 11.7420 11.8650 11.8650 12.4566 12.4566 k = 0.0000 0.0000 0.4620 ( 3221 PWs) bands (ev): -45.8079 -45.8079 -45.8039 -45.8039 -22.4868 -22.4868 -22.4650 -22.4650 -21.9340 -21.9340 -21.9107 -21.9107 -21.4997 -21.4997 -21.4987 -21.4987 6.2983 6.2983 7.0137 7.0137 7.3400 7.3400 7.7236 7.7236 7.8527 7.8527 8.3940 8.3940 8.4530 8.4530 9.0170 9.0170 9.2341 9.2341 9.3030 9.3030 9.7743 9.7743 9.9902 9.9902 10.4484 10.4484 10.6538 10.6538 10.8346 10.8346 11.7308 11.7308 11.8186 11.8186 12.4048 12.4048 k = 0.0000 0.0000 0.4805 ( 3225 PWs) bands (ev): -45.8078 -45.8078 -45.8039 -45.8039 -22.4869 -22.4869 -22.4653 -22.4653 -21.9341 -21.9341 -21.9111 -21.9111 -21.4997 -21.4997 -21.4988 -21.4988 6.3637 6.3637 7.0126 7.0126 7.3691 7.3691 7.7589 7.7589 7.8742 7.8742 8.3756 8.3756 8.4526 8.4526 8.9738 8.9738 9.2328 9.2328 9.2885 9.2885 9.7760 9.7760 9.9884 9.9884 10.4179 10.4179 10.6812 10.6812 10.8047 10.8047 11.7209 11.7209 11.7735 11.7735 12.3572 12.3572 k = 0.0000 0.0000 0.4990 ( 3229 PWs) bands (ev): -45.8078 -45.8078 -45.8039 -45.8039 -22.4869 -22.4869 -22.4656 -22.4656 -21.9342 -21.9342 -21.9115 -21.9115 -21.4998 -21.4998 -21.4989 -21.4989 6.4276 6.4276 7.0099 7.0099 7.4006 7.4006 7.7899 7.7899 7.8958 7.8958 8.3523 8.3523 8.4525 8.4525 8.9251 8.9251 9.2320 9.2320 9.2830 9.2830 9.7780 9.7780 9.9866 9.9866 10.3903 10.3903 10.7068 10.7068 10.7775 10.7775 11.7105 11.7105 11.7320 11.7320 12.3141 12.3141 k = 0.0000 0.0000 0.5175 ( 3227 PWs) bands (ev): -45.8077 -45.8077 -45.8038 -45.8038 -22.4870 -22.4870 -22.4659 -22.4659 -21.9343 -21.9343 -21.9119 -21.9119 -21.4999 -21.4999 -21.4989 -21.4989 6.4893 6.4893 7.0054 7.0054 7.4348 7.4348 7.8156 7.8156 7.9172 7.9172 8.3257 8.3257 8.4507 8.4507 8.8772 8.8772 9.2329 9.2329 9.2811 9.2811 9.7801 9.7801 9.9849 9.9849 10.3658 10.3658 10.7217 10.7217 10.7623 10.7623 11.6828 11.6828 11.7111 11.7111 12.2756 12.2756 k = 0.0000 0.0000 0.5360 ( 3219 PWs) bands (ev): -45.8077 -45.8077 -45.8038 -45.8038 -22.4870 -22.4870 -22.4661 -22.4661 -21.9343 -21.9343 -21.9121 -21.9121 -21.4999 -21.4999 -21.4990 -21.4990 6.5477 6.5477 6.9992 6.9992 7.4719 7.4719 7.8346 7.8346 7.9380 7.9380 8.2960 8.2960 8.4466 8.4466 8.8348 8.8348 9.2354 9.2354 9.2803 9.2803 9.7822 9.7822 9.9832 9.9832 10.3444 10.3444 10.7088 10.7088 10.7760 10.7760 11.6447 11.6447 11.7045 11.7045 12.2420 12.2420 k = 0.0000 0.0000 0.5544 ( 3221 PWs) bands (ev): -45.8077 -45.8077 -45.8038 -45.8038 -22.4870 -22.4870 -22.4663 -22.4663 -21.9344 -21.9344 -21.9124 -21.9124 -21.4999 -21.4999 -21.4990 -21.4990 6.6019 6.6019 6.9913 6.9913 7.5120 7.5120 7.8456 7.8456 7.9581 7.9581 8.2636 8.2636 8.4409 8.4409 8.8005 8.8005 9.2388 9.2388 9.2796 9.2796 9.7843 9.7843 9.9817 9.9817 10.3263 10.3263 10.6877 10.6877 10.7989 10.7989 11.6088 11.6088 11.7002 11.7002 12.2133 12.2133 k = 0.0000 0.0000 0.5729 ( 3219 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4870 -22.4870 -22.4664 -22.4664 -21.9344 -21.9344 -21.9126 -21.9126 -21.5000 -21.5000 -21.4991 -21.4991 6.6507 6.6507 6.9819 6.9819 7.5550 7.5550 7.8466 7.8466 7.9778 7.9778 8.2295 8.2295 8.4347 8.4347 8.7748 8.7748 9.2427 9.2427 9.2785 9.2785 9.7862 9.7862 9.9804 9.9804 10.3115 10.3115 10.6679 10.6679 10.8213 10.8213 11.5770 11.5770 11.6972 11.6972 12.1897 12.1897 k = 0.0000 0.0000 0.5914 ( 3217 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4665 -22.4665 -21.9345 -21.9345 -21.9128 -21.9128 -21.5000 -21.5000 -21.4991 -21.4991 6.6928 6.6928 6.9714 6.9714 7.6004 7.6004 7.8363 7.8363 7.9969 7.9969 8.1960 8.1960 8.4292 8.4292 8.7570 8.7570 9.2466 9.2466 9.2771 9.2771 9.7878 9.7878 9.9793 9.9793 10.3000 10.3000 10.6514 10.6514 10.8407 10.8407 11.5504 11.5504 11.6950 11.6950 12.1713 12.1713 k = 0.0000 0.0000 0.6099 ( 3215 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4666 -22.4666 -21.9345 -21.9345 -21.9129 -21.9129 -21.5000 -21.5000 -21.4991 -21.4991 6.7261 6.7261 6.9612 6.9612 7.6473 7.6473 7.8145 7.8145 8.0151 8.0151 8.1660 8.1660 8.4253 8.4253 8.7458 8.7458 9.2502 9.2502 9.2754 9.2754 9.7890 9.7890 9.9784 9.9784 10.2918 10.2918 10.6391 10.6391 10.8559 10.8559 11.5302 11.5302 11.6936 11.6936 12.1581 12.1581 k = 0.0000 0.0000 0.6284 ( 3218 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4667 -22.4667 -21.9345 -21.9345 -21.9130 -21.9130 -21.5000 -21.5000 -21.4991 -21.4991 6.7482 6.7482 6.9532 6.9532 7.6936 7.6936 7.7831 7.7831 8.0299 8.0299 8.1436 8.1436 8.4229 8.4229 8.7396 8.7396 9.2528 9.2528 9.2740 9.2740 9.7898 9.7898 9.9779 9.9779 10.2869 10.2869 10.6314 10.6314 10.8655 10.8655 11.5176 11.5176 11.6928 11.6928 12.1501 12.1501 k = 0.0000 0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4667 -22.4667 -21.9345 -21.9345 -21.9130 -21.9130 -21.5000 -21.5000 -21.4992 -21.4992 6.7561 6.7561 6.9501 6.9501 7.7275 7.7275 7.7540 7.7540 8.0362 8.0362 8.1347 8.1347 8.4222 8.4222 8.7376 8.7376 9.2538 9.2538 9.2734 9.2734 9.7901 9.7901 9.9777 9.9777 10.2852 10.2852 10.6288 10.6288 10.8688 10.8688 11.5133 11.5133 11.6926 11.6926 12.1475 12.1475 k = 0.0000 0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4667 -22.4667 -21.9345 -21.9345 -21.9130 -21.9130 -21.5000 -21.5000 -21.4992 -21.4992 6.7561 6.7561 6.9501 6.9501 7.7275 7.7275 7.7540 7.7540 8.0362 8.0362 8.1347 8.1347 8.4222 8.4222 8.7376 8.7376 9.2538 9.2538 9.2734 9.2734 9.7901 9.7901 9.9777 9.9777 10.2852 10.2852 10.6288 10.6288 10.8688 10.8688 11.5133 11.5133 11.6926 11.6926 12.1475 12.1475 k = 0.0000 0.0186 0.6469 ( 3214 PWs) bands (ev): -45.8075 -45.8075 -45.8037 -45.8037 -22.4871 -22.4871 -22.4667 -22.4667 -21.9344 -21.9344 -21.9129 -21.9129 -21.5003 -21.5003 -21.4995 -21.4995 6.7582 6.7582 6.9521 6.9521 7.7283 7.7283 7.7550 7.7550 8.0361 8.0361 8.1348 8.1348 8.4214 8.4214 8.7371 8.7371 9.2495 9.2495 9.2727 9.2727 9.7863 9.7863 9.9761 9.9761 10.2874 10.2874 10.6301 10.6301 10.8725 10.8725 11.5145 11.5145 11.6960 11.6960 12.1500 12.1500 k = 0.0000 0.0371 0.6469 ( 3218 PWs) bands (ev): -45.8074 -45.8074 -45.8036 -45.8036 -22.4871 -22.4871 -22.4667 -22.4667 -21.9343 -21.9343 -21.9128 -21.9128 -21.5013 -21.5013 -21.5005 -21.5005 6.7645 6.7645 6.9581 6.9581 7.7306 7.7306 7.7580 7.7580 8.0358 8.0358 8.1349 8.1349 8.4192 8.4192 8.7353 8.7353 9.2377 9.2377 9.2697 9.2697 9.7750 9.7750 9.9711 9.9711 10.2940 10.2940 10.6338 10.6338 10.8834 10.8834 11.5182 11.5182 11.7060 11.7060 12.1577 12.1577 k = 0.0000 0.0557 0.6469 ( 3212 PWs) bands (ev): -45.8072 -45.8072 -45.8034 -45.8034 -22.4871 -22.4871 -22.4667 -22.4667 -21.9341 -21.9341 -21.9126 -21.9126 -21.5029 -21.5029 -21.5021 -21.5021 6.7751 6.7751 6.9681 6.9681 7.7345 7.7345 7.7630 7.7630 8.0352 8.0352 8.1350 8.1350 8.4154 8.4154 8.7325 8.7325 9.2195 9.2195 9.2638 9.2638 9.7567 9.7567 9.9628 9.9628 10.3049 10.3049 10.6401 10.6401 10.9010 10.9010 11.5243 11.5243 11.7225 11.7225 12.1704 12.1704 k = 0.0000 0.0743 0.6469 ( 3210 PWs) bands (ev): -45.8069 -45.8069 -45.8031 -45.8031 -22.4871 -22.4871 -22.4668 -22.4668 -21.9338 -21.9338 -21.9123 -21.9123 -21.5052 -21.5052 -21.5043 -21.5043 6.7899 6.7899 6.9821 6.9821 7.7398 7.7398 7.7698 7.7698 8.0345 8.0345 8.1352 8.1352 8.4103 8.4103 8.7285 8.7285 9.1956 9.1956 9.2547 9.2547 9.7323 9.7323 9.9512 9.9512 10.3199 10.3199 10.6490 10.6490 10.9245 10.9245 11.5328 11.5328 11.7452 11.7452 12.1878 12.1878 k = 0.0000 0.0929 0.6469 ( 3210 PWs) bands (ev): -45.8065 -45.8065 -45.8026 -45.8026 -22.4871 -22.4871 -22.4668 -22.4668 -21.9333 -21.9333 -21.9119 -21.9119 -21.5082 -21.5082 -21.5073 -21.5073 6.8088 6.8088 7.0000 7.0000 7.7466 7.7466 7.7785 7.7785 8.0335 8.0335 8.1354 8.1354 8.4037 8.4037 8.7234 8.7234 9.1664 9.1664 9.2427 9.2427 9.7024 9.7024 9.9363 9.9363 10.3391 10.3391 10.6607 10.6607 10.9533 10.9533 11.5435 11.5435 11.7736 11.7736 12.2100 12.2100 k = 0.0000 0.1114 0.6469 ( 3206 PWs) bands (ev): -45.8060 -45.8060 -45.8022 -45.8022 -22.4871 -22.4871 -22.4669 -22.4669 -21.9329 -21.9329 -21.9115 -21.9115 -21.5117 -21.5117 -21.5108 -21.5108 6.8318 6.8318 7.0218 7.0218 7.7548 7.7548 7.7888 7.7888 8.0321 8.0321 8.1357 8.1357 8.3959 8.3959 8.7172 8.7172 9.1326 9.1326 9.2282 9.2282 9.6681 9.6681 9.9183 9.9183 10.3623 10.3623 10.6751 10.6751 10.9863 10.9863 11.5562 11.5562 11.8075 11.8075 12.2364 12.2364 k = 0.0000 0.1300 0.6469 ( 3209 PWs) bands (ev): -45.8054 -45.8054 -45.8016 -45.8016 -22.4871 -22.4871 -22.4670 -22.4670 -21.9323 -21.9323 -21.9109 -21.9109 -21.5159 -21.5159 -21.5150 -21.5150 6.8590 6.8590 7.0473 7.0473 7.7644 7.7644 7.8008 7.8008 8.0304 8.0304 8.1359 8.1359 8.3870 8.3870 8.7100 8.7100 9.0947 9.0947 9.2115 9.2115 9.6300 9.6300 9.8972 9.8972 10.3893 10.3893 10.6924 10.6924 11.0229 11.0229 11.5710 11.5710 11.8461 11.8461 12.2670 12.2670 k = 0.0000 0.1486 0.6469 ( 3210 PWs) bands (ev): -45.8047 -45.8047 -45.8009 -45.8009 -22.4871 -22.4871 -22.4671 -22.4671 -21.9316 -21.9316 -21.9103 -21.9103 -21.5207 -21.5207 -21.5197 -21.5197 6.8901 6.8901 7.0764 7.0764 7.7752 7.7752 7.8141 7.8141 8.0282 8.0282 8.1361 8.1361 8.3771 8.3771 8.7016 8.7016 9.0534 9.0534 9.1931 9.1931 9.5891 9.5891 9.8734 9.8734 10.4202 10.4202 10.7126 10.7126 11.0623 11.0623 11.5875 11.5875 11.8892 11.8892 12.3014 12.3014 k = 0.0000 0.1672 0.6469 ( 3212 PWs) bands (ev): -45.8040 -45.8040 -45.8002 -45.8002 -22.4872 -22.4872 -22.4672 -22.4672 -21.9309 -21.9309 -21.9095 -21.9095 -21.5261 -21.5261 -21.5251 -21.5251 6.9252 6.9252 7.1091 7.1091 7.7871 7.7871 7.8287 7.8287 8.0255 8.0255 8.1363 8.1363 8.3663 8.3663 8.6921 8.6921 9.0093 9.0093 9.1732 9.1732 9.5459 9.5459 9.8469 9.8469 10.4547 10.4547 10.7357 10.7357 11.1038 11.1038 11.6056 11.6056 11.9360 11.9360 12.3392 12.3392 k = 0.0000 0.1857 0.6469 ( 3214 PWs) bands (ev): -45.8032 -45.8032 -45.7994 -45.7994 -22.4873 -22.4873 -22.4674 -22.4674 -21.9300 -21.9300 -21.9088 -21.9088 -21.5320 -21.5320 -21.5309 -21.5309 6.9641 6.9641 7.1450 7.1450 7.8001 7.8001 7.8443 7.8443 8.0222 8.0222 8.1363 8.1363 8.3551 8.3551 8.6816 8.6816 8.9630 8.9630 9.1525 9.1525 9.5010 9.5010 9.8181 9.8181 10.4930 10.4930 10.7618 10.7618 11.1469 11.1469 11.6251 11.6251 11.9862 11.9862 12.3801 12.3801 k = 0.0000 0.2043 0.6469 ( 3220 PWs) bands (ev): -45.8023 -45.8023 -45.7985 -45.7985 -22.4874 -22.4874 -22.4676 -22.4676 -21.9292 -21.9292 -21.9079 -21.9079 -21.5385 -21.5385 -21.5374 -21.5374 7.0067 7.0067 7.1841 7.1841 7.8139 7.8139 7.8606 7.8606 8.0183 8.0183 8.1363 8.1363 8.3435 8.3435 8.6698 8.6698 8.9154 8.9154 9.1313 9.1313 9.4550 9.4550 9.7872 9.7872 10.5348 10.5348 10.7909 10.7909 11.1910 11.1910 11.6460 11.6460 12.0391 12.0391 12.4238 12.4238 k = 0.0000 0.2229 0.6469 ( 3218 PWs) bands (ev): -45.8013 -45.8013 -45.7975 -45.7975 -22.4875 -22.4875 -22.4678 -22.4678 -21.9282 -21.9282 -21.9070 -21.9070 -21.5455 -21.5455 -21.5443 -21.5443 7.0528 7.0528 7.2260 7.2260 7.8285 7.8285 7.8775 7.8775 8.0137 8.0137 8.1360 8.1360 8.3320 8.3320 8.6566 8.6566 8.8672 8.8672 9.1101 9.1101 9.4083 9.4083 9.7544 9.7544 10.5802 10.5802 10.8230 10.8230 11.2358 11.2358 11.6680 11.6680 12.0944 12.0944 12.4700 12.4700 k = 0.0000 0.2415 0.6469 ( 3214 PWs) bands (ev): -45.8002 -45.8002 -45.7964 -45.7964 -22.4876 -22.4876 -22.4680 -22.4680 -21.9271 -21.9271 -21.9060 -21.9060 -21.5529 -21.5529 -21.5516 -21.5516 7.1023 7.1023 7.2703 7.2703 7.8435 7.8435 7.8944 7.8944 8.0085 8.0085 8.1356 8.1356 8.3209 8.3209 8.6416 8.6416 8.8195 8.8195 9.0894 9.0894 9.3613 9.3613 9.7200 9.7200 10.6292 10.6292 10.8582 10.8582 11.2808 11.2808 11.6910 11.6910 12.1516 12.1516 12.5183 12.5183 k = 0.0000 0.2600 0.6469 ( 3216 PWs) bands (ev): -45.7991 -45.7991 -45.7953 -45.7953 -22.4877 -22.4877 -22.4683 -22.4683 -21.9260 -21.9260 -21.9049 -21.9049 -21.5608 -21.5608 -21.5595 -21.5595 7.1549 7.1549 7.3166 7.3166 7.8587 7.8587 7.9109 7.9109 8.0033 8.0033 8.1349 8.1349 8.3106 8.3106 8.6240 8.6240 8.7737 8.7737 9.0698 9.0698 9.3144 9.3144 9.6841 9.6841 10.6816 10.6816 10.8964 10.8964 11.3256 11.3256 11.7148 11.7148 12.2102 12.2102 12.5684 12.5684 k = 0.0000 0.2786 0.6469 ( 3216 PWs) bands (ev): -45.7979 -45.7979 -45.7942 -45.7942 -22.4879 -22.4879 -22.4686 -22.4686 -21.9248 -21.9248 -21.9038 -21.9038 -21.5691 -21.5691 -21.5678 -21.5678 7.2102 7.2102 7.3641 7.3641 7.8736 7.8736 7.9259 7.9259 7.9989 7.9989 8.1340 8.1340 8.3015 8.3015 8.6027 8.6027 8.7316 8.7316 9.0519 9.0519 9.2679 9.2679 9.6469 9.6469 10.7374 10.7374 10.9377 10.9377 11.3700 11.3700 11.7394 11.7394 12.2698 12.2698 12.6201 12.6201 k = 0.0000 0.2972 0.6469 ( 3220 PWs) bands (ev): -45.7967 -45.7967 -45.7929 -45.7929 -22.4881 -22.4881 -22.4690 -22.4690 -21.9236 -21.9236 -21.9026 -21.9026 -21.5779 -21.5779 -21.5765 -21.5765 7.2677 7.2677 7.4121 7.4121 7.8874 7.8874 7.9379 7.9379 7.9978 7.9978 8.1327 8.1327 8.2941 8.2941 8.5761 8.5761 8.6955 8.6955 9.0360 9.0360 9.2222 9.2222 9.6088 9.6088 10.7965 10.7965 10.9820 10.9820 11.4135 11.4135 11.7645 11.7645 12.3300 12.3300 12.6731 12.6731 k = 0.0000 0.3157 0.6469 ( 3218 PWs) bands (ev): -45.7954 -45.7954 -45.7916 -45.7916 -22.4884 -22.4884 -22.4694 -22.4694 -21.9223 -21.9223 -21.9014 -21.9014 -21.5869 -21.5869 -21.5855 -21.5855 7.3268 7.3268 7.4594 7.4594 7.8985 7.8985 7.9458 7.9458 8.0025 8.0025 8.1310 8.1310 8.2888 8.2888 8.5439 8.5439 8.6666 8.6666 9.0229 9.0229 9.1776 9.1776 9.5698 9.5698 10.8589 10.8589 11.0294 11.0294 11.4561 11.4561 11.7901 11.7901 12.3904 12.3904 12.7270 12.7270 k = 0.0000 0.3343 0.6469 ( 3219 PWs) bands (ev): -45.7940 -45.7940 -45.7903 -45.7903 -22.4887 -22.4887 -22.4699 -22.4699 -21.9209 -21.9209 -21.9001 -21.9001 -21.5963 -21.5963 -21.5948 -21.5948 7.3864 7.3864 7.5045 7.5045 7.9040 7.9040 7.9529 7.9529 8.0133 8.0133 8.1292 8.1292 8.2859 8.2859 8.5081 8.5081 8.6441 8.6441 9.0130 9.0130 9.1345 9.1345 9.5302 9.5302 10.9244 10.9244 11.0798 11.0798 11.4972 11.4972 11.8161 11.8161 12.4507 12.4507 12.7817 12.7817 k = 0.0000 0.3529 0.6469 ( 3217 PWs) bands (ev): -45.7926 -45.7926 -45.7889 -45.7889 -22.4891 -22.4891 -22.4705 -22.4705 -21.9195 -21.9195 -21.8987 -21.8987 -21.6059 -21.6059 -21.6044 -21.6044 7.4450 7.4450 7.5456 7.5456 7.9028 7.9028 7.9634 7.9634 8.0275 8.0275 8.1275 8.1275 8.2857 8.2857 8.4717 8.4717 8.6263 8.6263 9.0067 9.0067 9.0933 9.0933 9.4901 9.4901 10.9927 10.9927 11.1334 11.1334 11.5368 11.5368 11.8423 11.8423 12.5105 12.5105 12.8368 12.8368 k = 0.0000 0.3715 0.6469 ( 3215 PWs) bands (ev): -45.7911 -45.7911 -45.7874 -45.7874 -22.4895 -22.4895 -22.4710 -22.4710 -21.9181 -21.9181 -21.8973 -21.8973 -21.6158 -21.6158 -21.6143 -21.6143 7.5003 7.5003 7.5807 7.5807 7.8984 7.8984 7.9773 7.9773 8.0425 8.0425 8.1267 8.1267 8.2884 8.2884 8.4385 8.4385 8.6117 8.6117 9.0040 9.0040 9.0549 9.0549 9.4497 9.4497 11.0638 11.0638 11.1900 11.1900 11.5745 11.5745 11.8685 11.8685 12.5694 12.5694 12.8921 12.8921 k = 0.0000 0.3900 0.6469 ( 3215 PWs) bands (ev): -45.7897 -45.7897 -45.7859 -45.7859 -22.4900 -22.4900 -22.4717 -22.4717 -21.9166 -21.9166 -21.8959 -21.8959 -21.6259 -21.6259 -21.6243 -21.6243 7.5485 7.5485 7.6082 7.6082 7.8951 7.8951 7.9926 7.9926 8.0562 8.0562 8.1279 8.1279 8.2931 8.2931 8.4133 8.4133 8.5996 8.5996 9.0013 9.0013 9.0235 9.0235 9.4093 9.4093 11.1371 11.1371 11.2500 11.2500 11.6102 11.6102 11.8946 11.8946 12.6270 12.6270 12.9304 12.9304 k = 0.0000 0.4086 0.6469 ( 3221 PWs) bands (ev): -45.7881 -45.7881 -45.7844 -45.7844 -22.4905 -22.4905 -22.4725 -22.4725 -21.9151 -21.9151 -21.8945 -21.8945 -21.6362 -21.6362 -21.6346 -21.6346 7.5845 7.5845 7.6277 7.6277 7.8958 7.8958 8.0077 8.0077 8.0669 8.0669 8.1320 8.1320 8.2977 8.2977 8.4027 8.4027 8.5898 8.5898 8.9786 8.9786 9.0200 9.0200 9.3689 9.3689 11.2123 11.2123 11.3134 11.3134 11.6435 11.6435 11.9203 11.9203 12.6828 12.6828 12.8929 12.8929 k = 0.0000 0.4272 0.6469 ( 3219 PWs) bands (ev): -45.7866 -45.7866 -45.7829 -45.7829 -22.4911 -22.4911 -22.4733 -22.4733 -21.9136 -21.9136 -21.8931 -21.8931 -21.6466 -21.6466 -21.6449 -21.6449 7.6023 7.6023 7.6413 7.6413 7.9009 7.9009 8.0202 8.0202 8.0750 8.0750 8.1386 8.1386 8.3012 8.3012 8.4129 8.4129 8.5829 8.5829 8.9495 8.9495 9.0311 9.0311 9.3289 9.3289 11.2886 11.2886 11.3806 11.3806 11.6744 11.6744 11.9454 11.9454 12.7364 12.7364 12.8565 12.8565 k = 0.0000 0.4458 0.6469 ( 3221 PWs) bands (ev): -45.7850 -45.7850 -45.7813 -45.7813 -22.4918 -22.4918 -22.4742 -22.4742 -21.9121 -21.9121 -21.8916 -21.8916 -21.6570 -21.6570 -21.6554 -21.6554 7.6022 7.6022 7.6485 7.6485 7.9073 7.9073 8.0277 8.0277 8.0823 8.0823 8.1452 8.1452 8.3098 8.3098 8.4419 8.4419 8.5800 8.5800 8.9233 8.9233 9.0482 9.0482 9.2895 9.2895 11.3654 11.3654 11.4520 11.4520 11.7027 11.7027 11.9695 11.9695 12.7851 12.7851 12.8243 12.8243 k = 0.0000 0.4643 0.6469 ( 3223 PWs) bands (ev): -45.7834 -45.7834 -45.7797 -45.7797 -22.4926 -22.4926 -22.4752 -22.4752 -21.9106 -21.9106 -21.8901 -21.8901 -21.6676 -21.6676 -21.6659 -21.6659 7.5900 7.5900 7.6467 7.6467 7.9104 7.9104 8.0292 8.0292 8.0882 8.0882 8.1499 8.1499 8.3322 8.3322 8.4816 8.4816 8.5846 8.5846 8.9017 8.9017 9.0703 9.0703 9.2512 9.2512 11.4418 11.4418 11.5279 11.5279 11.7282 11.7282 11.9923 11.9923 12.7836 12.7836 12.8414 12.8414 k = 0.0000 0.4829 0.6469 ( 3225 PWs) bands (ev): -45.7817 -45.7817 -45.7781 -45.7781 -22.4934 -22.4934 -22.4762 -22.4762 -21.9090 -21.9090 -21.8886 -21.8886 -21.6781 -21.6781 -21.6764 -21.6764 7.5702 7.5702 7.6360 7.6360 7.9076 7.9076 8.0257 8.0257 8.0901 8.0901 8.1525 8.1525 8.3709 8.3709 8.5195 8.5195 8.6050 8.6050 8.8860 8.8860 9.0964 9.0964 9.2151 9.2151 11.5174 11.5174 11.6080 11.6080 11.7511 11.7511 12.0136 12.0136 12.7537 12.7537 12.8858 12.8858 k = 0.0000 0.5015 0.6469 ( 3225 PWs) bands (ev): -45.7801 -45.7801 -45.7764 -45.7764 -22.4943 -22.4943 -22.4774 -22.4774 -21.9074 -21.9074 -21.8871 -21.8871 -21.6887 -21.6887 -21.6869 -21.6869 7.5455 7.5455 7.6178 7.6178 7.8990 7.8990 8.0183 8.0183 8.0874 8.0874 8.1533 8.1533 8.4199 8.4199 8.5473 8.5473 8.6476 8.6476 8.8785 8.8785 9.1224 9.1224 9.1860 9.1860 11.5921 11.5921 11.6912 11.6912 11.7718 11.7718 12.0328 12.0328 12.7248 12.7248 12.9278 12.9278 k = 0.0000 0.5200 0.6469 ( 3229 PWs) bands (ev): -45.7784 -45.7784 -45.7748 -45.7748 -22.4953 -22.4953 -22.4786 -22.4786 -21.9059 -21.9059 -21.8856 -21.8856 -21.6992 -21.6992 -21.6973 -21.6973 7.5177 7.5177 7.5938 7.5938 7.8860 7.8860 8.0076 8.0076 8.0807 8.0807 8.1528 8.1528 8.4658 8.4658 8.5778 8.5778 8.7008 8.7008 8.8836 8.8836 9.1247 9.1247 9.1887 9.1887 11.6658 11.6658 11.7685 11.7685 11.7986 11.7986 12.0498 12.0498 12.6982 12.6982 12.9598 12.9598 k = 0.0000 0.5386 0.6469 ( 3232 PWs) bands (ev): -45.7768 -45.7768 -45.7731 -45.7731 -22.4964 -22.4964 -22.4799 -22.4799 -21.9044 -21.9044 -21.8841 -21.8841 -21.7095 -21.7095 -21.7076 -21.7076 7.4877 7.4877 7.5653 7.5653 7.8700 7.8700 7.9943 7.9943 8.0711 8.0711 8.1515 8.1515 8.4954 8.4954 8.6238 8.6238 8.7505 8.7505 8.9076 8.9076 9.1025 9.1025 9.2264 9.2264 11.7378 11.7378 11.7970 11.7970 11.8743 11.8743 12.0642 12.0642 12.6742 12.6742 12.9495 12.9495 k = 0.0000 0.5572 0.6469 ( 3234 PWs) bands (ev): -45.7751 -45.7751 -45.7715 -45.7715 -22.4975 -22.4975 -22.4813 -22.4813 -21.9029 -21.9029 -21.8826 -21.8826 -21.7197 -21.7197 -21.7178 -21.7178 7.4563 7.4563 7.5337 7.5337 7.8521 7.8521 7.9789 7.9789 8.0589 8.0589 8.1496 8.1496 8.5108 8.5108 8.6749 8.6749 8.7942 8.7942 8.9504 8.9504 9.0846 9.0846 9.2767 9.2767 11.7939 11.7939 11.8251 11.8251 11.9638 11.9638 12.0759 12.0759 12.6530 12.6530 12.9398 12.9398 k = 0.0000 0.5758 0.6469 ( 3234 PWs) bands (ev): -45.7735 -45.7735 -45.7699 -45.7699 -22.4987 -22.4987 -22.4828 -22.4828 -21.9014 -21.9014 -21.8811 -21.8811 -21.7297 -21.7297 -21.7278 -21.7278 7.4242 7.4242 7.4997 7.4997 7.8329 7.8329 7.9618 7.9618 8.0444 8.0444 8.1476 8.1476 8.5197 8.5197 8.7130 8.7130 8.8389 8.8389 8.9939 8.9939 9.0924 9.0924 9.3363 9.3363 11.8077 11.8077 11.8904 11.8904 12.0543 12.0543 12.0850 12.0850 12.6349 12.6349 12.9338 12.9338 k = 0.0000 0.5943 0.6469 ( 3232 PWs) bands (ev): -45.7718 -45.7718 -45.7682 -45.7682 -22.5000 -22.5000 -22.4843 -22.4843 -21.9000 -21.9000 -21.8797 -21.8797 -21.7395 -21.7395 -21.7376 -21.7376 7.3916 7.3916 7.4643 7.4643 7.8129 7.8129 7.9434 7.9434 8.0279 8.0279 8.1455 8.1455 8.5256 8.5256 8.7357 8.7357 8.8740 8.8740 9.0263 9.0263 9.1444 9.1444 9.4053 9.4053 11.8118 11.8118 11.9608 11.9608 12.0896 12.0896 12.1460 12.1460 12.6199 12.6199 12.9316 12.9316 k = 0.0000 0.6129 0.6469 ( 3232 PWs) bands (ev): -45.7702 -45.7702 -45.7666 -45.7666 -22.5013 -22.5013 -22.4859 -22.4859 -21.8986 -21.8986 -21.8783 -21.8783 -21.7491 -21.7491 -21.7471 -21.7471 7.3589 7.3589 7.4282 7.4282 7.7924 7.7924 7.9240 7.9240 8.0099 8.0099 8.1437 8.1437 8.5295 8.5295 8.7503 8.7503 8.8820 8.8820 9.0722 9.0722 9.2227 9.2227 9.4839 9.4839 11.8119 11.8119 12.0303 12.0303 12.0926 12.0926 12.2349 12.2349 12.6080 12.6080 12.9330 12.9330 k = 0.0000 0.6315 0.6469 ( 3234 PWs) bands (ev): -45.7686 -45.7686 -45.7650 -45.7650 -22.5028 -22.5028 -22.4876 -22.4876 -21.8973 -21.8973 -21.8770 -21.8770 -21.7583 -21.7583 -21.7564 -21.7564 7.3264 7.3264 7.3918 7.3918 7.7717 7.7717 7.9038 7.9038 7.9908 7.9908 8.1420 8.1420 8.5318 8.5318 8.7607 8.7607 8.8723 8.8723 9.1295 9.1295 9.3143 9.3143 9.5714 9.5714 11.8088 11.8088 12.0904 12.0904 12.1002 12.1002 12.3210 12.3210 12.5993 12.5993 12.9376 12.9376 k = 0.0000 0.6501 0.6469 ( 3238 PWs) bands (ev): -45.7671 -45.7671 -45.7635 -45.7635 -22.5042 -22.5042 -22.4894 -22.4894 -21.8961 -21.8961 -21.8758 -21.8758 -21.7673 -21.7673 -21.7653 -21.7653 7.2942 7.2942 7.3556 7.3556 7.7508 7.7508 7.8830 7.8830 7.9709 7.9709 8.1406 8.1406 8.5327 8.5327 8.7665 8.7665 8.8597 8.8597 9.1869 9.1869 9.4155 9.4155 9.6667 9.6667 11.8029 11.8029 12.0895 12.0895 12.1636 12.1636 12.4027 12.4027 12.5936 12.5936 12.9451 12.9451 k = 0.0000 0.6686 0.6469 ( 3239 PWs) bands (ev): -45.7655 -45.7655 -45.7620 -45.7620 -22.5058 -22.5058 -22.4911 -22.4911 -21.8950 -21.8950 -21.8746 -21.8746 -21.7759 -21.7759 -21.7739 -21.7739 7.2626 7.2626 7.3200 7.3200 7.7301 7.7301 7.8618 7.8618 7.9507 7.9507 8.1395 8.1395 8.5320 8.5320 8.7648 8.7648 8.8531 8.8531 9.2406 9.2406 9.5241 9.5241 9.7683 9.7683 11.7947 11.7947 12.0847 12.0847 12.2250 12.2250 12.4780 12.4780 12.5908 12.5908 12.9550 12.9550 k = 0.0000 0.6872 0.6469 ( 3239 PWs) bands (ev): -45.7640 -45.7640 -45.7605 -45.7605 -22.5074 -22.5074 -22.4930 -22.4930 -21.8940 -21.8940 -21.8735 -21.8735 -21.7841 -21.7841 -21.7821 -21.7821 7.2316 7.2316 7.2852 7.2852 7.7095 7.7095 7.8405 7.8405 7.9304 7.9304 8.1386 8.1386 8.5297 8.5297 8.7544 8.7544 8.8562 8.8562 9.2901 9.2901 9.6380 9.6380 9.8746 9.8746 11.7845 11.7845 12.0780 12.0780 12.2821 12.2821 12.5447 12.5447 12.5909 12.5909 12.9668 12.9668 k = 0.0000 0.7058 0.6469 ( 3237 PWs) bands (ev): -45.7626 -45.7626 -45.7590 -45.7590 -22.5090 -22.5090 -22.4948 -22.4948 -21.8930 -21.8930 -21.8726 -21.8726 -21.7919 -21.7919 -21.7899 -21.7899 7.2013 7.2013 7.2515 7.2515 7.6893 7.6893 7.8191 7.8191 7.9103 7.9103 8.1380 8.1380 8.5257 8.5257 8.7386 8.7386 8.8666 8.8666 9.3360 9.3360 9.7558 9.7558 9.9844 9.9844 11.7727 11.7727 12.0698 12.0698 12.3340 12.3340 12.5887 12.5887 12.6059 12.6059 12.9802 12.9802 k = 0.0000 0.7244 0.6469 ( 3233 PWs) bands (ev): -45.7612 -45.7612 -45.7576 -45.7576 -22.5106 -22.5106 -22.4967 -22.4967 -21.8922 -21.8922 -21.8717 -21.8717 -21.7992 -21.7992 -21.7972 -21.7972 7.1719 7.1719 7.2191 7.2191 7.6695 7.6695 7.7979 7.7979 7.8905 7.8905 8.1378 8.1378 8.5199 8.5199 8.7214 8.7214 8.8809 8.8809 9.3790 9.3790 9.8763 9.8763 10.0967 10.0967 11.7597 11.7597 12.0605 12.0605 12.3801 12.3801 12.5946 12.5946 12.6495 12.6495 12.9948 12.9948 k = 0.0000 0.7429 0.6469 ( 3233 PWs) bands (ev): -45.7598 -45.7598 -45.7563 -45.7563 -22.5122 -22.5122 -22.4986 -22.4986 -21.8916 -21.8916 -21.8711 -21.8711 -21.8061 -21.8061 -21.8041 -21.8041 7.1435 7.1435 7.1882 7.1882 7.6502 7.6502 7.7769 7.7769 7.8713 7.8713 8.1379 8.1379 8.5120 8.5120 8.7048 8.7048 8.8971 8.8971 9.4193 9.4193 9.9987 9.9987 10.2105 10.2105 11.7457 11.7457 12.0503 12.0503 12.4197 12.4197 12.6000 12.6000 12.6833 12.6833 13.0101 13.0101 k = 0.0000 0.7615 0.6469 ( 3233 PWs) bands (ev): -45.7585 -45.7585 -45.7550 -45.7550 -22.5138 -22.5138 -22.5004 -22.5004 -21.8911 -21.8911 -21.8706 -21.8706 -21.8124 -21.8124 -21.8104 -21.8104 7.1161 7.1161 7.1587 7.1587 7.6316 7.6316 7.7565 7.7565 7.8528 7.8528 8.1383 8.1383 8.5021 8.5021 8.6900 8.6900 8.9142 8.9142 9.4572 9.4572 10.1221 10.1221 10.3251 10.3251 11.7311 11.7311 12.0397 12.0397 12.4526 12.4526 12.6064 12.6064 12.7060 12.7060 13.0259 13.0259 k = 0.0000 0.7801 0.6469 ( 3231 PWs) bands (ev): -45.7573 -45.7573 -45.7538 -45.7538 -22.5155 -22.5155 -22.5023 -22.5023 -21.8908 -21.8908 -21.8704 -21.8704 -21.8182 -21.8182 -21.8162 -21.8162 7.0898 7.0898 7.1310 7.1310 7.6136 7.6136 7.7367 7.7367 7.8350 7.8350 8.1390 8.1390 8.4902 8.4902 8.6774 8.6774 8.9317 8.9317 9.4930 9.4930 10.2460 10.2460 10.4396 10.4396 11.7163 11.7163 12.0288 12.0288 12.4787 12.4787 12.6136 12.6136 12.7188 12.7188 13.0418 13.0418 k = 0.0000 0.7986 0.6469 ( 3231 PWs) bands (ev): -45.7561 -45.7561 -45.7526 -45.7526 -22.5171 -22.5171 -22.5041 -22.5041 -21.8907 -21.8907 -21.8704 -21.8704 -21.8234 -21.8234 -21.8214 -21.8214 7.0648 7.0648 7.1050 7.1050 7.5965 7.5965 7.7176 7.7176 7.8181 7.8181 8.1401 8.1401 8.4766 8.4766 8.6672 8.6672 8.9490 8.9490 9.5267 9.5267 10.3697 10.3697 10.5536 10.5536 11.7013 11.7013 12.0180 12.0180 12.4983 12.4983 12.6214 12.6214 12.7232 12.7232 13.0576 13.0576 k = 0.0000 0.8172 0.6469 ( 3229 PWs) bands (ev): -45.7550 -45.7550 -45.7515 -45.7515 -22.5186 -22.5186 -22.5059 -22.5059 -21.8908 -21.8908 -21.8707 -21.8707 -21.8281 -21.8281 -21.8260 -21.8260 7.0410 7.0410 7.0808 7.0808 7.5802 7.5802 7.6994 7.6994 7.8020 7.8020 8.1416 8.1416 8.4616 8.4616 8.6590 8.6590 8.9659 8.9659 9.5583 9.5583 10.4927 10.4927 10.6661 10.6661 11.6866 11.6866 12.0074 12.0074 12.5117 12.5117 12.6294 12.6294 12.7204 12.7204 13.0730 13.0730 k = 0.0000 0.8358 0.6469 ( 3227 PWs) bands (ev): -45.7539 -45.7539 -45.7504 -45.7504 -22.5201 -22.5201 -22.5076 -22.5076 -21.8911 -21.8911 -21.8713 -21.8713 -21.8321 -21.8321 -21.8299 -21.8299 7.0187 7.0187 7.0585 7.0585 7.5648 7.5648 7.6822 7.6822 7.7870 7.7870 8.1435 8.1435 8.4457 8.4457 8.6527 8.6527 8.9821 8.9821 9.5878 9.5878 10.6143 10.6143 10.7766 10.7766 11.6722 11.6722 11.9972 11.9972 12.5196 12.5196 12.6374 12.6374 12.7116 12.7116 13.0879 13.0879 k = 0.0000 0.8544 0.6469 ( 3225 PWs) bands (ev): -45.7530 -45.7530 -45.7495 -45.7495 -22.5216 -22.5216 -22.5093 -22.5093 -21.8916 -21.8916 -21.8723 -21.8723 -21.8355 -21.8355 -21.8332 -21.8332 6.9978 6.9978 7.0380 7.0380 7.5504 7.5504 7.6661 7.6661 7.7730 7.7730 8.1458 8.1458 8.4294 8.4294 8.6478 8.6478 8.9975 8.9975 9.6152 9.6152 10.7339 10.7339 10.8843 10.8843 11.6582 11.6582 11.9876 11.9876 12.5225 12.5225 12.6446 12.6446 12.6982 12.6982 13.1021 13.1021 k = 0.0000 0.8729 0.6469 ( 3231 PWs) bands (ev): -45.7521 -45.7521 -45.7486 -45.7486 -22.5230 -22.5230 -22.5108 -22.5108 -21.8924 -21.8924 -21.8735 -21.8735 -21.8385 -21.8385 -21.8358 -21.8358 6.9785 6.9785 7.0193 7.0193 7.5371 7.5371 7.6511 7.6511 7.7600 7.7600 8.1485 8.1485 8.4129 8.4129 8.6441 8.6441 9.0120 9.0120 9.6405 9.6405 10.8508 10.8508 10.9883 10.9883 11.6450 11.6450 11.9787 11.9787 12.5211 12.5211 12.6490 12.6490 12.6825 12.6825 13.1154 13.1154 k = 0.0000 0.8915 0.6469 ( 3231 PWs) bands (ev): -45.7513 -45.7513 -45.7478 -45.7478 -22.5243 -22.5243 -22.5123 -22.5123 -21.8932 -21.8932 -21.8750 -21.8750 -21.8409 -21.8409 -21.8378 -21.8378 6.9608 6.9608 7.0024 7.0024 7.5249 7.5249 7.6374 7.6374 7.7481 7.7481 8.1517 8.1517 8.3967 8.3967 8.6412 8.6412 9.0253 9.0253 9.6635 9.6635 10.9642 10.9642 11.0879 11.0879 11.6325 11.6325 11.9705 11.9705 12.5160 12.5160 12.6417 12.6417 12.6740 12.6740 13.1278 13.1278 k = 0.0000 0.9101 0.6469 ( 3233 PWs) bands (ev): -45.7505 -45.7505 -45.7471 -45.7471 -22.5254 -22.5254 -22.5136 -22.5136 -21.8942 -21.8942 -21.8766 -21.8766 -21.8429 -21.8429 -21.8392 -21.8392 6.9449 6.9449 6.9874 6.9874 7.5138 7.5138 7.6250 7.6250 7.7374 7.7374 8.1552 8.1552 8.3810 8.3810 8.6391 8.6391 9.0373 9.0373 9.6843 9.6843 11.0733 11.0733 11.1821 11.1821 11.6209 11.6209 11.9631 11.9631 12.5075 12.5075 12.6191 12.6191 12.6767 12.6767 13.1390 13.1390 k = 0.0000 0.9287 0.6469 ( 3236 PWs) bands (ev): -45.7499 -45.7499 -45.7464 -45.7464 -22.5265 -22.5265 -22.5148 -22.5148 -21.8951 -21.8951 -21.8782 -21.8782 -21.8446 -21.8446 -21.8403 -21.8403 6.9307 6.9307 6.9742 6.9742 7.5038 7.5038 7.6139 7.6139 7.7278 7.7278 8.1592 8.1592 8.3660 8.3660 8.6374 8.6374 9.0480 9.0480 9.7027 9.7027 11.1770 11.1770 11.2698 11.2698 11.6102 11.6102 11.9567 11.9567 12.4960 12.4960 12.5906 12.5906 12.6824 12.6824 13.1492 13.1492 k = 0.0000 0.9472 0.6469 ( 3242 PWs) bands (ev): -45.7493 -45.7493 -45.7459 -45.7459 -22.5275 -22.5275 -22.5159 -22.5159 -21.8962 -21.8962 -21.8797 -21.8797 -21.8459 -21.8459 -21.8410 -21.8410 6.9184 6.9184 6.9628 6.9628 7.4951 7.4951 7.6042 7.6042 7.7194 7.7194 8.1634 8.1634 8.3520 8.3520 8.6361 8.6361 9.0572 9.0572 9.7188 9.7188 11.2737 11.2737 11.3502 11.3502 11.6006 11.6006 11.9513 11.9513 12.4807 12.4807 12.5607 12.5607 12.6884 12.6884 13.1581 13.1581 k = 0.0000 0.9658 0.6469 ( 3236 PWs) bands (ev): -45.7488 -45.7488 -45.7454 -45.7454 -22.5283 -22.5283 -22.5168 -22.5168 -21.8970 -21.8970 -21.8811 -21.8811 -21.8468 -21.8468 -21.8415 -21.8415 6.9079 6.9079 6.9532 6.9532 7.4876 7.4876 7.5960 7.5960 7.7122 7.7122 8.1679 8.1679 8.3392 8.3392 8.6352 8.6352 9.0649 9.0649 9.7325 9.7325 11.3608 11.3608 11.4229 11.4229 11.5922 11.5922 11.9469 11.9469 12.4595 12.4595 12.5342 12.5342 12.6941 12.6941 13.1657 13.1657 k = 0.0000 0.9844 0.6469 ( 3235 PWs) bands (ev): -45.7484 -45.7484 -45.7450 -45.7450 -22.5289 -22.5289 -22.5175 -22.5175 -21.8978 -21.8978 -21.8823 -21.8823 -21.8475 -21.8475 -21.8419 -21.8419 6.8993 6.8993 6.9455 6.9455 7.4815 7.4815 7.5893 7.5893 7.7063 7.7063 8.1725 8.1725 8.3278 8.3278 8.6344 8.6344 9.0710 9.0710 9.7437 9.7437 11.4334 11.4334 11.4895 11.4895 11.5852 11.5852 11.9436 11.9436 12.4298 12.4298 12.5161 12.5161 12.6992 12.6992 13.1720 13.1720 k = 0.0000 1.0029 0.6469 ( 3231 PWs) bands (ev): -45.7481 -45.7481 -45.7447 -45.7447 -22.5294 -22.5294 -22.5181 -22.5181 -21.8984 -21.8984 -21.8833 -21.8833 -21.8480 -21.8480 -21.8421 -21.8421 6.8927 6.8927 6.9395 6.9395 7.4766 7.4766 7.5840 7.5840 7.7016 7.7016 8.1770 8.1770 8.3181 8.3181 8.6339 8.6339 9.0755 9.0755 9.7524 9.7524 11.4854 11.4854 11.5509 11.5509 11.5812 11.5812 11.9414 11.9414 12.3929 12.3929 12.5078 12.5078 12.7036 12.7036 13.1769 13.1769 k = 0.0000 1.0215 0.6469 ( 3231 PWs) bands (ev): -45.7479 -45.7479 -45.7445 -45.7445 -22.5298 -22.5298 -22.5185 -22.5185 -21.8989 -21.8989 -21.8839 -21.8839 -21.8484 -21.8484 -21.8422 -21.8422 6.8880 6.8880 6.9354 6.9354 7.4730 7.4730 7.5803 7.5803 7.6982 7.6982 8.1811 8.1811 8.3103 8.3103 8.6335 8.6335 9.0783 9.0783 9.7586 9.7586 11.5151 11.5151 11.5720 11.5720 11.6131 11.6131 11.9403 11.9403 12.3532 12.3532 12.5086 12.5086 12.7074 12.7074 13.1804 13.1804 k = 0.0000 1.0215 0.6469 ( 3231 PWs) bands (ev): -45.7479 -45.7479 -45.7445 -45.7445 -22.5298 -22.5298 -22.5185 -22.5185 -21.8989 -21.8989 -21.8839 -21.8839 -21.8484 -21.8484 -21.8422 -21.8422 6.8880 6.8880 6.9354 6.9354 7.4730 7.4730 7.5803 7.5803 7.6982 7.6982 8.1811 8.1811 8.3103 8.3103 8.6335 8.6335 9.0783 9.0783 9.7586 9.7586 11.5151 11.5151 11.5720 11.5720 11.6131 11.6131 11.9403 11.9403 12.3532 12.3532 12.5086 12.5086 12.7074 12.7074 13.1804 13.1804 k = 0.0000 1.0298 0.6321 ( 3232 PWs) bands (ev): -45.7479 -45.7479 -45.7444 -45.7444 -22.5298 -22.5298 -22.5186 -22.5186 -21.8990 -21.8990 -21.8841 -21.8841 -21.8484 -21.8484 -21.8423 -21.8423 6.8822 6.8822 6.9285 6.9285 7.4668 7.4668 7.5781 7.5781 7.6912 7.6912 8.1818 8.1818 8.3031 8.3031 8.6308 8.6308 9.0804 9.0804 9.7576 9.7576 11.5503 11.5503 11.5882 11.5882 11.6264 11.6264 11.9353 11.9353 12.3524 12.3524 12.5028 12.5028 12.7149 12.7149 13.1817 13.1817 k = 0.0000 1.0380 0.6173 ( 3230 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5298 -22.5298 -22.5187 -22.5187 -21.8990 -21.8990 -21.8842 -21.8842 -21.8484 -21.8484 -21.8423 -21.8423 6.8781 6.8781 6.9235 6.9235 7.4624 7.4624 7.5766 7.5766 7.6862 7.6862 8.1824 8.1824 8.2978 8.2978 8.6288 8.6288 9.0820 9.0820 9.7568 9.7568 11.5767 11.5767 11.6022 11.6022 11.6335 11.6335 11.9315 11.9315 12.3509 12.3509 12.4987 12.4987 12.7202 12.7202 13.1827 13.1827 k = 0.0000 1.0462 0.6025 ( 3228 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5298 -22.5298 -22.5187 -22.5187 -21.8991 -21.8991 -21.8843 -21.8843 -21.8483 -21.8483 -21.8423 -21.8423 6.8756 6.8756 6.9205 6.9205 7.4597 7.4597 7.5757 7.5757 7.6832 7.6832 8.1829 8.1829 8.2945 8.2945 8.6277 8.6277 9.0829 9.0829 9.7564 9.7564 11.5919 11.5919 11.6158 11.6158 11.6338 11.6338 11.9290 11.9290 12.3497 12.3497 12.4962 12.4962 12.7235 12.7235 13.1832 13.1832 k = 0.0000 1.0545 0.5877 ( 3230 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5299 -22.5299 -22.5187 -22.5187 -21.8991 -21.8991 -21.8844 -21.8844 -21.8483 -21.8483 -21.8423 -21.8423 6.8748 6.8748 6.9195 6.9195 7.4588 7.4588 7.5754 7.5754 7.6822 7.6822 8.1831 8.1831 8.2934 8.2934 8.6273 8.6273 9.0832 9.0832 9.7562 9.7562 11.5964 11.5964 11.6264 11.6264 11.6285 11.6285 11.9282 11.9282 12.3492 12.3492 12.4953 12.4953 12.7246 12.7246 13.1834 13.1834 k = 0.0000 1.0545 0.5877 ( 3230 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5299 -22.5299 -22.5187 -22.5187 -21.8991 -21.8991 -21.8844 -21.8844 -21.8483 -21.8483 -21.8423 -21.8423 6.8748 6.8748 6.9195 6.9195 7.4588 7.4588 7.5754 7.5754 7.6822 7.6822 8.1831 8.1831 8.2934 8.2934 8.6273 8.6273 9.0832 9.0832 9.7562 9.7562 11.5964 11.5964 11.6264 11.6264 11.6285 11.6285 11.9282 11.9282 12.3492 12.3492 12.4953 12.4953 12.7246 12.7246 13.1834 13.1834 k = 0.0185 1.0545 0.5877 ( 3226 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5298 -22.5298 -22.5187 -22.5187 -21.8991 -21.8991 -21.8844 -21.8844 -21.8483 -21.8483 -21.8423 -21.8423 6.8747 6.8747 6.9191 6.9191 7.4590 7.4590 7.5758 7.5758 7.6820 7.6820 8.1816 8.1816 8.2926 8.2926 8.6255 8.6255 9.0858 9.0858 9.7579 9.7579 11.5976 11.5976 11.6271 11.6271 11.6317 11.6317 11.9281 11.9281 12.3496 12.3496 12.4951 12.4951 12.7270 12.7270 13.1828 13.1828 k = 0.0370 1.0545 0.5877 ( 3220 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5298 -22.5298 -22.5187 -22.5187 -21.8990 -21.8990 -21.8844 -21.8844 -21.8483 -21.8483 -21.8423 -21.8423 6.8744 6.8744 6.9179 6.9179 7.4595 7.4595 7.5769 7.5769 7.6814 7.6814 8.1772 8.1772 8.2901 8.2901 8.6203 8.6203 9.0935 9.0935 9.7626 9.7626 11.6016 11.6016 11.6309 11.6309 11.6394 11.6394 11.9278 11.9278 12.3505 12.3505 12.4944 12.4944 12.7343 12.7343 13.1811 13.1811 k = 0.0556 1.0545 0.5877 ( 3228 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5298 -22.5298 -22.5188 -22.5188 -21.8990 -21.8990 -21.8845 -21.8845 -21.8482 -21.8482 -21.8423 -21.8423 6.8740 6.8740 6.9160 6.9160 7.4605 7.4605 7.5787 7.5787 7.6804 7.6804 8.1701 8.1701 8.2860 8.2860 8.6116 8.6116 9.1062 9.1062 9.7703 9.7703 11.6084 11.6084 11.6384 11.6384 11.6507 11.6507 11.9273 11.9273 12.3522 12.3522 12.4934 12.4934 12.7462 12.7462 13.1783 13.1783 k = 0.0741 1.0545 0.5877 ( 3230 PWs) bands (ev): -45.7478 -45.7478 -45.7444 -45.7444 -22.5297 -22.5297 -22.5189 -22.5189 -21.8989 -21.8989 -21.8846 -21.8846 -21.8482 -21.8482 -21.8423 -21.8423 6.8734 6.8734 6.9134 6.9134 7.4618 7.4618 7.5811 7.5811 7.6792 7.6792 8.1605 8.1605 8.2805 8.2805 8.5997 8.5997 9.1237 9.1237 9.7805 9.7805 11.6182 11.6182 11.6493 11.6493 11.6656 11.6656 11.9267 11.9267 12.3545 12.3545 12.4925 12.4925 12.7624 12.7624 13.1743 13.1743 k = 0.0926 1.0545 0.5877 ( 3232 PWs) bands (ev): -45.7477 -45.7477 -45.7444 -45.7444 -22.5296 -22.5296 -22.5190 -22.5190 -21.8989 -21.8989 -21.8848 -21.8848 -21.8481 -21.8481 -21.8423 -21.8423 6.8725 6.8725 6.9102 6.9102 7.4634 7.4634 7.5839 7.5839 7.6780 7.6780 8.1490 8.1490 8.2735 8.2735 8.5847 8.5847 9.1456 9.1456 9.7930 9.7930 11.6309 11.6309 11.6635 11.6635 11.6837 11.6837 11.9261 11.9261 12.3576 12.3576 12.4919 12.4919 12.7828 12.7828 13.1692 13.1692 k = 0.1111 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7477 -45.7477 -45.7445 -45.7445 -22.5296 -22.5296 -22.5191 -22.5191 -21.8988 -21.8988 -21.8850 -21.8850 -21.8480 -21.8480 -21.8423 -21.8423 6.8715 6.8715 6.9065 6.9065 7.4653 7.4653 7.5869 7.5869 7.6768 7.6768 8.1357 8.1357 8.2652 8.2652 8.5669 8.5669 9.1717 9.1717 9.8072 9.8072 11.6463 11.6463 11.6809 11.6809 11.7051 11.7051 11.9255 11.9255 12.3615 12.3615 12.4920 12.4920 12.8070 12.8070 13.1631 13.1631 k = 0.1296 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7477 -45.7477 -45.7445 -45.7445 -22.5294 -22.5294 -22.5192 -22.5192 -21.8987 -21.8987 -21.8852 -21.8852 -21.8479 -21.8479 -21.8424 -21.8424 6.8703 6.8703 6.9023 6.9023 7.4675 7.4675 7.5898 7.5898 7.6761 7.6761 8.1212 8.1212 8.2559 8.2559 8.5468 8.5468 9.2015 9.2015 9.8227 9.8227 11.6640 11.6640 11.7010 11.7010 11.7299 11.7299 11.9251 11.9251 12.3662 12.3662 12.4929 12.4929 12.8349 12.8349 13.1560 13.1560 k = 0.1481 1.0545 0.5877 ( 3238 PWs) bands (ev): -45.7476 -45.7476 -45.7445 -45.7445 -22.5293 -22.5293 -22.5194 -22.5194 -21.8985 -21.8985 -21.8854 -21.8854 -21.8478 -21.8478 -21.8424 -21.8424 6.8689 6.8689 6.8978 6.8978 7.4700 7.4700 7.5923 7.5923 7.6761 7.6761 8.1056 8.1056 8.2456 8.2456 8.5248 8.5248 9.2344 9.2344 9.8390 9.8390 11.6835 11.6835 11.7236 11.7236 11.7583 11.7583 11.9252 11.9252 12.3719 12.3719 12.4949 12.4949 12.8662 12.8662 13.1479 13.1479 k = 0.1667 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7476 -45.7476 -45.7446 -45.7446 -22.5291 -22.5291 -22.5195 -22.5195 -21.8984 -21.8984 -21.8857 -21.8857 -21.8476 -21.8476 -21.8424 -21.8424 6.8673 6.8673 6.8932 6.8932 7.4726 7.4726 7.5940 7.5940 7.6771 7.6771 8.0895 8.0895 8.2346 8.2346 8.5011 8.5011 9.2700 9.2700 9.8556 9.8556 11.7039 11.7039 11.7481 11.7481 11.7908 11.7908 11.9262 11.9262 12.3787 12.3787 12.4981 12.4981 12.9007 12.9007 13.1389 13.1389 k = 0.1852 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7475 -45.7475 -45.7446 -45.7446 -22.5290 -22.5290 -22.5197 -22.5197 -21.8982 -21.8982 -21.8860 -21.8860 -21.8475 -21.8475 -21.8424 -21.8424 6.8655 6.8655 6.8884 6.8884 7.4755 7.4755 7.5948 7.5948 7.6794 7.6794 8.0729 8.0729 8.2231 8.2231 8.4763 8.4763 9.3079 9.3079 9.8721 9.8721 11.7247 11.7247 11.7739 11.7739 11.8271 11.8271 11.9288 11.9288 12.3867 12.3867 12.5025 12.5025 12.9383 12.9383 13.1292 13.1292 k = 0.2037 1.0545 0.5877 ( 3238 PWs) bands (ev): -45.7475 -45.7475 -45.7447 -45.7447 -22.5288 -22.5288 -22.5199 -22.5199 -21.8980 -21.8980 -21.8863 -21.8863 -21.8473 -21.8473 -21.8425 -21.8425 6.8635 6.8635 6.8836 6.8836 7.4785 7.4785 7.5945 7.5945 7.6831 7.6831 8.0560 8.0560 8.2114 8.2114 8.4508 8.4508 9.3476 9.3476 9.8883 9.8883 11.7451 11.7451 11.8000 11.8000 11.8665 11.8665 11.9348 11.9348 12.3960 12.3960 12.5082 12.5082 12.9785 12.9785 13.1187 13.1187 k = 0.2222 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7474 -45.7474 -45.7448 -45.7448 -22.5286 -22.5286 -22.5201 -22.5201 -21.8978 -21.8978 -21.8866 -21.8866 -21.8471 -21.8471 -21.8425 -21.8425 6.8613 6.8613 6.8789 6.8789 7.4817 7.4817 7.5930 7.5930 7.6881 7.6881 8.0392 8.0392 8.1995 8.1995 8.4248 8.4248 9.3885 9.3885 9.9037 9.9037 11.7648 11.7648 11.8248 11.8248 11.9058 11.9058 11.9490 11.9490 12.4068 12.4068 12.5152 12.5152 13.0207 13.0207 13.1079 13.1079 k = 0.2407 1.0545 0.5877 ( 3240 PWs) bands (ev): -45.7473 -45.7473 -45.7448 -45.7448 -22.5284 -22.5284 -22.5203 -22.5203 -21.8975 -21.8975 -21.8870 -21.8870 -21.8470 -21.8470 -21.8425 -21.8425 6.8589 6.8589 6.8744 6.8744 7.4850 7.4850 7.5907 7.5907 7.6944 7.6944 8.0224 8.0224 8.1878 8.1878 8.3986 8.3986 9.4303 9.4303 9.9181 9.9181 11.7832 11.7832 11.8459 11.8459 11.9371 11.9371 11.9813 11.9813 12.4192 12.4192 12.5235 12.5235 13.0631 13.0631 13.0978 13.0978 k = 0.2593 1.0545 0.5877 ( 3246 PWs) bands (ev): -45.7473 -45.7473 -45.7449 -45.7449 -22.5282 -22.5282 -22.5206 -22.5206 -21.8973 -21.8973 -21.8874 -21.8874 -21.8468 -21.8468 -21.8426 -21.8426 6.8562 6.8562 6.8702 6.8702 7.4883 7.4883 7.5876 7.5876 7.7017 7.7017 8.0058 8.0058 8.1765 8.1765 8.3727 8.3727 9.4726 9.4726 9.9312 9.9312 11.8002 11.8002 11.8610 11.8610 11.9646 11.9646 12.0292 12.0292 12.4333 12.4333 12.5331 12.5331 13.0803 13.0803 13.1128 13.1128 k = 0.2778 1.0545 0.5877 ( 3242 PWs) bands (ev): -45.7472 -45.7472 -45.7450 -45.7450 -22.5280 -22.5280 -22.5208 -22.5208 -21.8971 -21.8971 -21.8877 -21.8877 -21.8466 -21.8466 -21.8426 -21.8426 6.8535 6.8535 6.8663 6.8663 7.4918 7.4918 7.5841 7.5841 7.7097 7.7097 7.9894 7.9894 8.1657 8.1657 8.3471 8.3471 9.5150 9.5150 9.9429 9.9429 11.8157 11.8157 11.8704 11.8704 11.9962 11.9962 12.0837 12.0837 12.4492 12.4492 12.5439 12.5439 13.0698 13.0698 13.1535 13.1535 k = 0.2963 1.0545 0.5877 ( 3234 PWs) bands (ev): -45.7471 -45.7471 -45.7451 -45.7451 -22.5277 -22.5277 -22.5210 -22.5210 -21.8968 -21.8968 -21.8880 -21.8880 -21.8464 -21.8464 -21.8426 -21.8426 6.8507 6.8507 6.8627 6.8627 7.4953 7.4953 7.5802 7.5802 7.7184 7.7184 7.9735 7.9735 8.1556 8.1556 8.3222 8.3222 9.5570 9.5570 9.9529 9.9529 11.8294 11.8294 11.8762 11.8762 12.0325 12.0325 12.1417 12.1417 12.4669 12.4669 12.5558 12.5558 13.0579 13.0579 13.1898 13.1898 k = 0.3148 1.0545 0.5877 ( 3234 PWs) bands (ev): -45.7470 -45.7470 -45.7451 -45.7451 -22.5274 -22.5274 -22.5213 -22.5213 -21.8965 -21.8965 -21.8885 -21.8885 -21.8462 -21.8462 -21.8427 -21.8427 6.8479 6.8479 6.8594 6.8594 7.4988 7.4988 7.5761 7.5761 7.7275 7.7275 7.9579 7.9579 8.1465 8.1465 8.2981 8.2981 9.5984 9.5984 9.9611 9.9611 11.8415 11.8415 11.8799 11.8799 12.0720 12.0720 12.2019 12.2019 12.4864 12.4864 12.5688 12.5688 13.0462 13.0462 13.2144 13.2144 k = 0.3333 1.0545 0.5877 ( 3232 PWs) bands (ev): -45.7469 -45.7469 -45.7452 -45.7452 -22.5271 -22.5271 -22.5215 -22.5215 -21.8961 -21.8961 -21.8888 -21.8888 -21.8460 -21.8460 -21.8428 -21.8428 6.8453 6.8453 6.8563 6.8563 7.5024 7.5024 7.5720 7.5720 7.7370 7.7370 7.9428 7.9428 8.1384 8.1384 8.2750 8.2750 9.6388 9.6388 9.9673 9.9673 11.8518 11.8518 11.8825 11.8825 12.1138 12.1138 12.2629 12.2629 12.5074 12.5074 12.5826 12.5826 13.0352 13.0352 13.2206 13.2206 k = 0.3519 1.0545 0.5877 ( 3234 PWs) bands (ev): -45.7469 -45.7469 -45.7453 -45.7453 -22.5269 -22.5269 -22.5218 -22.5218 -21.8958 -21.8958 -21.8892 -21.8892 -21.8457 -21.8457 -21.8429 -21.8429 6.8430 6.8430 6.8534 6.8534 7.5060 7.5060 7.5678 7.5678 7.7467 7.7467 7.9283 7.9283 8.1315 8.1315 8.2531 8.2531 9.6779 9.6779 9.9713 9.9713 11.8606 11.8606 11.8846 11.8846 12.1569 12.1569 12.3235 12.3235 12.5296 12.5296 12.5973 12.5973 13.0254 13.0254 13.2080 13.2080 k = 0.3704 1.0545 0.5877 ( 3236 PWs) bands (ev): -45.7468 -45.7468 -45.7454 -45.7454 -22.5266 -22.5266 -22.5221 -22.5221 -21.8955 -21.8955 -21.8897 -21.8897 -21.8456 -21.8456 -21.8430 -21.8430 6.8409 6.8409 6.8507 6.8507 7.5096 7.5096 7.5636 7.5636 7.7567 7.7567 7.9142 7.9142 8.1260 8.1260 8.2325 8.2325 9.7153 9.7153 9.9731 9.9731 11.8679 11.8679 11.8864 11.8864 12.2009 12.2009 12.3818 12.3818 12.5524 12.5524 12.6126 12.6126 13.0176 13.0176 13.1845 13.1845 k = 0.3889 1.0545 0.5877 ( 3242 PWs) bands (ev): -45.7467 -45.7467 -45.7455 -45.7455 -22.5263 -22.5263 -22.5224 -22.5224 -21.8952 -21.8952 -21.8901 -21.8901 -21.8453 -21.8453 -21.8432 -21.8432 6.8392 6.8392 6.8481 6.8481 7.5133 7.5133 7.5595 7.5595 7.7667 7.7667 7.9007 7.9007 8.1220 8.1220 8.2134 8.2134 9.7508 9.7508 9.9724 9.9724 11.8739 11.8739 11.8881 11.8881 12.2453 12.2453 12.4352 12.4352 12.5747 12.5747 12.6283 12.6283 13.0128 13.0128 13.1588 13.1588 k = 0.4074 1.0545 0.5877 ( 3242 PWs) bands (ev): -45.7466 -45.7466 -45.7456 -45.7456 -22.5260 -22.5260 -22.5228 -22.5228 -21.8948 -21.8948 -21.8906 -21.8906 -21.8451 -21.8451 -21.8433 -21.8433 6.8380 6.8380 6.8457 6.8457 7.5170 7.5170 7.5555 7.5555 7.7768 7.7768 7.8877 7.8877 8.1195 8.1195 8.1958 8.1958 9.7841 9.7841 9.9692 9.9692 11.8787 11.8787 11.8895 11.8895 12.2895 12.2895 12.4801 12.4801 12.5960 12.5960 12.6439 12.6439 13.0122 13.0122 13.1379 13.1379 k = 0.4259 1.0545 0.5877 ( 3242 PWs) bands (ev): -45.7465 -45.7465 -45.7457 -45.7457 -22.5257 -22.5257 -22.5231 -22.5231 -21.8944 -21.8944 -21.8911 -21.8911 -21.8449 -21.8449 -21.8434 -21.8434 6.8371 6.8371 6.8436 6.8436 7.5207 7.5207 7.5514 7.5514 7.7871 7.7871 7.8752 7.8752 8.1188 8.1188 8.1798 8.1798 9.8151 9.8151 9.9634 9.9634 11.8825 11.8825 11.8907 11.8907 12.3331 12.3331 12.5123 12.5123 12.6161 12.6161 12.6583 12.6583 13.0172 13.0172 13.1263 13.1263 k = 0.4444 1.0545 0.5877 ( 3242 PWs) bands (ev): -45.7464 -45.7464 -45.7458 -45.7458 -22.5253 -22.5253 -22.5234 -22.5234 -21.8940 -21.8940 -21.8915 -21.8915 -21.8447 -21.8447 -21.8436 -21.8436 6.8366 6.8366 6.8417 6.8417 7.5244 7.5244 7.5475 7.5475 7.7974 7.7974 7.8631 7.8631 8.1198 8.1198 8.1656 8.1656 9.8435 9.8435 9.9549 9.9549 11.8855 11.8855 11.8915 11.8915 12.3756 12.3756 12.5280 12.5280 12.6350 12.6350 12.6697 12.6697 13.0291 13.0291 13.1252 13.1252 k = 0.4630 1.0545 0.5877 ( 3244 PWs) bands (ev): -45.7463 -45.7463 -45.7459 -45.7459 -22.5250 -22.5250 -22.5237 -22.5237 -21.8936 -21.8936 -21.8919 -21.8919 -21.8445 -21.8445 -21.8438 -21.8438 6.8365 6.8365 6.8400 6.8400 7.5282 7.5282 7.5436 7.5436 7.8078 7.8078 7.8515 7.8515 8.1227 8.1227 8.1532 8.1532 9.8692 9.8692 9.9435 9.9435 11.8879 11.8879 11.8918 11.8918 12.4161 12.4161 12.5269 12.5269 12.6519 12.6519 12.6767 12.6767 13.0485 13.0485 13.1287 13.1287 k = 0.4815 1.0545 0.5877 ( 3240 PWs) bands (ev): -45.7462 -45.7462 -45.7460 -45.7460 -22.5247 -22.5247 -22.5240 -22.5240 -21.8932 -21.8932 -21.8923 -21.8923 -21.8443 -21.8443 -21.8439 -21.8439 6.8369 6.8369 6.8386 6.8386 7.5320 7.5320 7.5397 7.5397 7.8184 7.8184 7.8402 7.8402 8.1274 8.1274 8.1427 8.1427 9.8921 9.8921 9.9293 9.9293 11.8897 11.8897 11.8916 11.8916 12.4536 12.4536 12.5118 12.5118 12.6653 12.6653 12.6782 12.6782 13.0741 13.0741 13.1228 13.1228 k = 0.5000 1.0545 0.5877 ( 3244 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5244 -22.5244 -22.5244 -22.5244 -21.8928 -21.8928 -21.8928 -21.8928 -21.8441 -21.8441 -21.8441 -21.8441 6.8376 6.8376 6.8376 6.8376 7.5358 7.5358 7.5358 7.5358 7.8292 7.8292 7.8292 7.8292 8.1341 8.1341 8.1341 8.1341 9.9122 9.9122 9.9122 9.9122 11.8909 11.8909 11.8909 11.8909 12.4863 12.4863 12.4863 12.4863 12.6743 12.6743 12.6743 12.6743 13.1017 13.1017 13.1017 13.1017 k = 0.5000 1.0545 0.5877 ( 3244 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5244 -22.5244 -22.5244 -22.5244 -21.8928 -21.8928 -21.8928 -21.8928 -21.8441 -21.8441 -21.8441 -21.8441 6.8376 6.8376 6.8376 6.8376 7.5358 7.5358 7.5358 7.5358 7.8292 7.8292 7.8292 7.8292 8.1341 8.1341 8.1341 8.1341 9.9122 9.9122 9.9122 9.9122 11.8909 11.8909 11.8909 11.8909 12.4863 12.4863 12.4863 12.4863 12.6743 12.6743 12.6743 12.6743 13.1017 13.1017 13.1017 13.1017 k = 0.5000 1.0627 0.5729 ( 3240 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5244 -22.5244 -22.5243 -22.5243 -21.8928 -21.8928 -21.8927 -21.8927 -21.8442 -21.8442 -21.8440 -21.8440 6.8366 6.8366 6.8403 6.8403 7.5355 7.5355 7.5380 7.5380 7.8272 7.8272 7.8320 7.8320 8.1331 8.1331 8.1360 8.1360 9.9114 9.9114 9.9118 9.9118 11.8888 11.8888 11.8903 11.8903 12.4695 12.4695 12.4875 12.4875 12.6724 12.6724 12.6744 12.6744 13.0943 13.0943 13.1164 13.1164 k = 0.5000 1.0710 0.5581 ( 3236 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5245 -22.5245 -22.5241 -22.5241 -21.8928 -21.8928 -21.8926 -21.8926 -21.8443 -21.8443 -21.8438 -21.8438 6.8375 6.8375 6.8449 6.8449 7.5372 7.5372 7.5420 7.5420 7.8260 7.8260 7.8357 7.8357 8.1330 8.1330 8.1389 8.1389 9.9094 9.9094 9.9102 9.9102 11.8839 11.8839 11.8870 11.8870 12.4392 12.4392 12.4732 12.4732 12.6690 12.6690 12.6728 12.6728 13.0945 13.0945 13.1356 13.1356 k = 0.5000 1.0792 0.5434 ( 3234 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5245 -22.5245 -22.5240 -22.5240 -21.8927 -21.8927 -21.8925 -21.8925 -21.8444 -21.8444 -21.8437 -21.8437 6.8402 6.8402 6.8512 6.8512 7.5408 7.5408 7.5479 7.5479 7.8257 7.8257 7.8402 7.8402 8.1338 8.1338 8.1426 8.1426 9.9062 9.9062 9.9074 9.9074 11.8762 11.8762 11.8808 11.8808 12.3982 12.3982 12.4452 12.4452 12.6644 12.6644 12.6693 12.6693 13.1001 13.1001 13.1550 13.1550 k = 0.5000 1.0874 0.5286 ( 3232 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5245 -22.5245 -22.5238 -22.5238 -21.8926 -21.8926 -21.8923 -21.8923 -21.8445 -21.8445 -21.8436 -21.8436 6.8447 6.8447 6.8593 6.8593 7.5464 7.5464 7.5556 7.5556 7.8261 7.8261 7.8455 7.8455 8.1356 8.1356 8.1472 8.1472 9.9019 9.9019 9.9035 9.9035 11.8654 11.8654 11.8714 11.8714 12.3497 12.3497 12.4065 12.4065 12.6585 12.6585 12.6643 12.6643 13.1075 13.1075 13.1706 13.1706 k = 0.5000 1.0874 0.5286 ( 3232 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5245 -22.5245 -22.5238 -22.5238 -21.8926 -21.8926 -21.8923 -21.8923 -21.8445 -21.8445 -21.8436 -21.8436 6.8447 6.8447 6.8593 6.8593 7.5464 7.5464 7.5556 7.5556 7.8261 7.8261 7.8455 7.8455 8.1356 8.1356 8.1472 8.1472 9.9019 9.9019 9.9035 9.9035 11.8654 11.8654 11.8714 11.8714 12.3497 12.3497 12.4065 12.4065 12.6585 12.6585 12.6643 12.6643 13.1075 13.1075 13.1706 13.1706 k = 0.5000 1.0864 0.5102 ( 3236 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5247 -22.5247 -22.5238 -22.5238 -21.8927 -21.8927 -21.8923 -21.8923 -21.8448 -21.8448 -21.8436 -21.8436 6.8508 6.8508 6.8688 6.8688 7.5544 7.5544 7.5657 7.5657 7.8259 7.8259 7.8507 7.8507 8.1392 8.1392 8.1546 8.1546 9.8964 9.8964 9.8979 9.8979 11.8606 11.8606 11.8657 11.8657 12.2961 12.2961 12.3599 12.3599 12.6618 12.6618 12.6683 12.6683 13.0897 13.0897 13.1597 13.1597 k = 0.5000 1.0854 0.4918 ( 3232 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5248 -22.5248 -22.5238 -22.5238 -21.8928 -21.8928 -21.8923 -21.8923 -21.8450 -21.8450 -21.8436 -21.8436 6.8590 6.8590 6.8803 6.8803 7.5648 7.5648 7.5779 7.5779 7.8264 7.8264 7.8566 7.8566 8.1444 8.1444 8.1635 8.1635 9.8892 9.8892 9.8907 9.8907 11.8538 11.8538 11.8581 11.8581 12.2379 12.2379 12.3070 12.3070 12.6634 12.6634 12.6707 12.6707 13.0651 13.0651 13.1400 13.1400 k = 0.5000 1.0844 0.4735 ( 3232 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5250 -22.5250 -22.5239 -22.5239 -21.8929 -21.8929 -21.8924 -21.8924 -21.8452 -21.8452 -21.8436 -21.8436 6.8693 6.8693 6.8938 6.8938 7.5777 7.5777 7.5921 7.5921 7.8276 7.8276 7.8632 7.8632 8.1512 8.1512 8.1736 8.1736 9.8805 9.8805 9.8819 9.8819 11.8452 11.8452 11.8485 11.8485 12.1763 12.1763 12.2493 12.2493 12.6630 12.6630 12.6709 12.6709 13.0337 13.0337 13.1121 13.1121 k = 0.5000 1.0833 0.4551 ( 3234 PWs) bands (ev): -45.7462 -45.7462 -45.7461 -45.7461 -22.5252 -22.5252 -22.5239 -22.5239 -21.8930 -21.8930 -21.8925 -21.8925 -21.8455 -21.8455 -21.8437 -21.8437 6.8816 6.8816 6.9093 6.9093 7.5929 7.5929 7.6082 7.6082 7.8294 7.8294 7.8706 7.8706 8.1596 8.1596 8.1851 8.1851 9.8702 9.8702 9.8715 9.8715 11.8348 11.8348 11.8370 11.8370 12.1121 12.1121 12.1878 12.1878 12.6606 12.6606 12.6685 12.6685 12.9950 12.9950 13.0760 13.0760 k = 0.5000 1.0823 0.4367 ( 3240 PWs) bands (ev): -45.7462 -45.7462 -45.7461 -45.7461 -22.5254 -22.5254 -22.5240 -22.5240 -21.8932 -21.8932 -21.8925 -21.8925 -21.8458 -21.8458 -21.8439 -21.8439 6.8960 6.8960 6.9267 6.9267 7.6104 7.6104 7.6259 7.6259 7.8319 7.8319 7.8789 7.8789 8.1696 8.1696 8.1979 8.1979 9.8582 9.8582 9.8594 9.8594 11.8227 11.8227 11.8234 11.8234 12.0462 12.0462 12.1234 12.1234 12.6561 12.6561 12.6632 12.6632 12.9491 12.9491 13.0313 13.0313 k = 0.5000 1.0813 0.4184 ( 3236 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5256 -22.5256 -22.5241 -22.5241 -21.8933 -21.8933 -21.8926 -21.8926 -21.8461 -21.8461 -21.8440 -21.8440 6.9124 6.9124 6.9460 6.9460 7.6300 7.6300 7.6451 7.6451 7.8350 7.8350 7.8882 7.8882 8.1810 8.1810 8.2118 8.2118 9.8447 9.8447 9.8457 9.8457 11.8073 11.8073 11.8090 11.8090 11.9799 11.9799 12.0569 12.0569 12.6495 12.6495 12.6548 12.6548 12.8964 12.8964 12.9780 12.9780 k = 0.5000 1.0802 0.4000 ( 3230 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5258 -22.5258 -22.5241 -22.5241 -21.8934 -21.8934 -21.8927 -21.8927 -21.8463 -21.8463 -21.8441 -21.8441 6.9307 6.9307 6.9670 6.9670 7.6518 7.6518 7.6654 7.6654 7.8389 7.8389 7.8987 7.8987 8.1939 8.1939 8.2269 8.2269 9.8296 9.8296 9.8304 9.8304 11.7873 11.7873 11.7936 11.7936 11.9151 11.9151 11.9890 11.9890 12.6405 12.6405 12.6424 12.6424 12.8384 12.8384 12.9170 12.9170 k = 0.5000 1.0792 0.3816 ( 3228 PWs) bands (ev): -45.7461 -45.7461 -45.7461 -45.7461 -22.5260 -22.5260 -22.5242 -22.5242 -21.8935 -21.8935 -21.8928 -21.8928 -21.8466 -21.8466 -21.8443 -21.8443 6.9509 6.9509 6.9897 6.9897 7.6754 7.6754 7.6865 7.6865 7.8434 7.8434 7.9105 7.9105 8.2083 8.2083 8.2432 8.2432 9.8130 9.8130 9.8136 9.8136 11.7594 11.7594 11.7761 11.7761 11.8563 11.8563 11.9206 11.9206 12.6239 12.6239 12.6289 12.6289 12.7784 12.7784 12.8500 12.8500 k = 0.5000 1.0782 0.3633 ( 3224 PWs) bands (ev): -45.7461 -45.7461 -45.7460 -45.7460 -22.5262 -22.5262 -22.5243 -22.5243 -21.8937 -21.8937 -21.8929 -21.8929 -21.8469 -21.8469 -21.8444 -21.8444 6.9730 6.9730 7.0141 7.0141 7.7007 7.7007 7.7079 7.7079 7.8487 7.8487 7.9239 7.9239 8.2241 8.2241 8.2605 8.2605 9.7949 9.7949 9.7952 9.7952 11.7168 11.7168 11.7553 11.7553 11.8110 11.8110 11.8537 11.8537 12.5945 12.5945 12.6133 12.6133 12.7226 12.7226 12.7797 12.7797 k = 0.5000 1.0771 0.3449 ( 3226 PWs) bands (ev): -45.7460 -45.7460 -45.7460 -45.7460 -22.5264 -22.5264 -22.5245 -22.5245 -21.8938 -21.8938 -21.8930 -21.8930 -21.8472 -21.8472 -21.8446 -21.8446 6.9968 6.9968 7.0400 7.0400 7.7275 7.7275 7.7292 7.7292 7.8550 7.8550 7.9392 7.9392 8.2412 8.2412 8.2788 8.2788 9.7753 9.7753 9.7753 9.7753 11.6591 11.6591 11.7264 11.7264 11.7800 11.7800 11.7934 11.7934 12.5474 12.5474 12.5902 12.5902 12.6792 12.6792 12.7113 12.7113 k = 0.5000 1.0761 0.3266 ( 3230 PWs) bands (ev): -45.7460 -45.7460 -45.7460 -45.7460 -22.5266 -22.5266 -22.5246 -22.5246 -21.8940 -21.8940 -21.8931 -21.8931 -21.8475 -21.8475 -21.8449 -21.8449 7.0222 7.0222 7.0674 7.0674 7.7500 7.7500 7.7551 7.7551 7.8624 7.8624 7.9566 7.9566 8.2597 8.2597 8.2980 8.2980 9.7539 9.7539 9.7542 9.7542 11.5939 11.5939 11.6789 11.6789 11.7507 11.7507 11.7563 11.7563 12.4833 12.4833 12.5502 12.5502 12.6490 12.6490 12.6555 12.6555 k = 0.5000 1.0751 0.3082 ( 3226 PWs) bands (ev): -45.7460 -45.7460 -45.7460 -45.7460 -22.5268 -22.5268 -22.5248 -22.5248 -21.8941 -21.8941 -21.8932 -21.8932 -21.8478 -21.8478 -21.8451 -21.8451 7.0492 7.0492 7.0961 7.0961 7.7698 7.7698 7.7830 7.7830 7.8715 7.8715 7.9763 7.9763 8.2793 8.2793 8.3181 8.3181 9.7312 9.7312 9.7318 9.7318 11.5263 11.5263 11.6163 11.6163 11.7227 11.7227 11.7352 11.7352 12.4095 12.4095 12.4870 12.4870 12.6200 12.6200 12.6260 12.6260 k = 0.5000 1.0741 0.2898 ( 3220 PWs) bands (ev): -45.7460 -45.7460 -45.7459 -45.7459 -22.5270 -22.5270 -22.5249 -22.5249 -21.8942 -21.8942 -21.8933 -21.8933 -21.8481 -21.8481 -21.8453 -21.8453 7.0777 7.0777 7.1259 7.1259 7.7881 7.7881 7.8095 7.8095 7.8836 7.8836 7.9985 7.9985 8.3002 8.3002 8.3391 8.3391 9.7071 9.7071 9.7081 9.7081 11.4583 11.4583 11.5491 11.5491 11.6990 11.6990 11.7151 11.7151 12.3314 12.3314 12.4102 12.4102 12.5962 12.5962 12.6061 12.6061 k = 0.5000 1.0730 0.2715 ( 3222 PWs) bands (ev): -45.7460 -45.7460 -45.7459 -45.7459 -22.5272 -22.5272 -22.5251 -22.5251 -21.8943 -21.8943 -21.8935 -21.8935 -21.8484 -21.8484 -21.8456 -21.8456 7.1074 7.1074 7.1568 7.1568 7.8049 7.8049 7.8324 7.8324 7.9007 7.9007 8.0230 8.0230 8.3221 8.3221 8.3608 8.3608 9.6817 9.6817 9.6831 9.6831 11.3911 11.3911 11.4813 11.4813 11.6759 11.6759 11.6952 11.6952 12.2519 12.2519 12.3284 12.3284 12.5767 12.5767 12.5873 12.5873 k = 0.5000 1.0720 0.2531 ( 3220 PWs) bands (ev): -45.7459 -45.7459 -45.7459 -45.7459 -22.5274 -22.5274 -22.5253 -22.5253 -21.8945 -21.8945 -21.8936 -21.8936 -21.8486 -21.8486 -21.8459 -21.8459 7.1384 7.1384 7.1885 7.1885 7.8199 7.8199 7.8500 7.8500 7.9241 7.9241 8.0497 8.0497 8.3452 8.3452 8.3833 8.3833 9.6551 9.6551 9.6569 9.6569 11.3253 11.3253 11.4144 11.4144 11.6522 11.6522 11.6752 11.6752 12.1729 12.1729 12.2453 12.2453 12.5586 12.5586 12.5691 12.5691 k = 0.5000 1.0710 0.2347 ( 3228 PWs) bands (ev): -45.7459 -45.7459 -45.7459 -45.7459 -22.5276 -22.5276 -22.5255 -22.5255 -21.8946 -21.8946 -21.8938 -21.8938 -21.8489 -21.8489 -21.8462 -21.8462 7.1703 7.1703 7.2210 7.2210 7.8333 7.8333 7.8628 7.8628 7.9531 7.9531 8.0782 8.0782 8.3692 8.3692 8.4063 8.4063 9.6275 9.6275 9.6297 9.6297 11.2615 11.2615 11.3491 11.3491 11.6270 11.6270 11.6546 11.6546 12.0961 12.0961 12.1628 12.1628 12.5412 12.5412 12.5511 12.5511 k = 0.5000 1.0699 0.2164 ( 3216 PWs) bands (ev): -45.7459 -45.7459 -45.7459 -45.7459 -22.5277 -22.5277 -22.5256 -22.5256 -21.8947 -21.8947 -21.8939 -21.8939 -21.8491 -21.8491 -21.8465 -21.8465 7.2031 7.2031 7.2539 7.2539 7.8451 7.8451 7.8726 7.8726 7.9855 7.9855 8.1078 8.1078 8.3942 8.3942 8.4300 8.4300 9.5989 9.5989 9.6014 9.6014 11.2003 11.2003 11.2861 11.2861 11.5995 11.5995 11.6330 11.6330 12.0227 12.0227 12.0822 12.0822 12.5242 12.5242 12.5334 12.5334 k = 0.5000 1.0689 0.1980 ( 3214 PWs) bands (ev): -45.7459 -45.7459 -45.7458 -45.7458 -22.5278 -22.5278 -22.5258 -22.5258 -21.8948 -21.8948 -21.8940 -21.8940 -21.8493 -21.8493 -21.8468 -21.8468 7.2366 7.2366 7.2871 7.2871 7.8554 7.8554 7.8806 7.8806 8.0197 8.0197 8.1382 8.1382 8.4201 8.4201 8.4542 8.4542 9.5696 9.5696 9.5724 9.5724 11.1420 11.1420 11.2258 11.2258 11.5688 11.5688 11.6096 11.6096 11.9543 11.9543 12.0049 12.0049 12.5076 12.5076 12.5160 12.5160 k = 0.5000 1.0679 0.1796 ( 3214 PWs) bands (ev): -45.7459 -45.7459 -45.7458 -45.7458 -22.5279 -22.5279 -22.5260 -22.5260 -21.8949 -21.8949 -21.8942 -21.8942 -21.8495 -21.8495 -21.8471 -21.8471 7.2705 7.2705 7.3203 7.3203 7.8645 7.8645 7.8874 7.8874 8.0547 8.0547 8.1687 8.1687 8.4467 8.4467 8.4788 8.4788 9.5395 9.5395 9.5426 9.5426 11.0871 11.0871 11.1687 11.1687 11.5338 11.5338 11.5835 11.5835 11.8925 11.8925 11.9326 11.9326 12.4913 12.4913 12.4990 12.4990 k = 0.5000 1.0668 0.1613 ( 3218 PWs) bands (ev): -45.7458 -45.7458 -45.7458 -45.7458 -22.5281 -22.5281 -22.5263 -22.5263 -21.8950 -21.8950 -21.8943 -21.8943 -21.8497 -21.8497 -21.8474 -21.8474 7.3045 7.3045 7.3533 7.3533 7.8724 7.8724 7.8933 7.8933 8.0898 8.0898 8.1987 8.1987 8.4741 8.4741 8.5038 8.5038 9.5090 9.5090 9.5122 9.5122 11.0361 11.0361 11.1153 11.1153 11.4938 11.4938 11.5532 11.5532 11.8386 11.8386 11.8670 11.8670 12.4756 12.4756 12.4825 12.4825 k = 0.5000 1.0658 0.1429 ( 3218 PWs) bands (ev): -45.7458 -45.7458 -45.7458 -45.7458 -22.5282 -22.5282 -22.5265 -22.5265 -21.8951 -21.8951 -21.8944 -21.8944 -21.8499 -21.8499 -21.8477 -21.8477 7.3385 7.3385 7.3857 7.3857 7.8791 7.8791 7.8983 7.8983 8.1245 8.1245 8.2278 8.2278 8.5020 8.5020 8.5290 8.5290 9.4782 9.4782 9.4815 9.4815 10.9894 10.9894 11.0661 11.0661 11.4487 11.4487 11.5174 11.5174 11.7931 11.7931 11.8102 11.8102 12.4605 12.4605 12.4666 12.4666 k = 0.5000 1.0648 0.1245 ( 3216 PWs) bands (ev): -45.7458 -45.7458 -45.7458 -45.7458 -22.5283 -22.5283 -22.5267 -22.5267 -21.8952 -21.8952 -21.8946 -21.8946 -21.8500 -21.8500 -21.8480 -21.8480 7.3720 7.3720 7.4173 7.4173 7.8848 7.8848 7.9024 7.9024 8.1583 8.1583 8.2554 8.2554 8.5303 8.5303 8.5543 8.5543 9.4473 9.4473 9.4507 9.4507 10.9474 10.9474 11.0215 11.0215 11.3992 11.3992 11.4751 11.4751 11.7559 11.7559 11.7634 11.7634 12.4462 12.4462 12.4516 12.4516 k = 0.5000 1.0638 0.1062 ( 3218 PWs) bands (ev): -45.7458 -45.7458 -45.7458 -45.7458 -22.5284 -22.5284 -22.5269 -22.5269 -21.8953 -21.8953 -21.8947 -21.8947 -21.8502 -21.8502 -21.8483 -21.8483 7.4048 7.4048 7.4476 7.4476 7.8895 7.8895 7.9057 7.9057 8.1909 8.1909 8.2809 8.2809 8.5588 8.5588 8.5796 8.5796 9.4167 9.4167 9.4200 9.4200 10.9105 10.9105 10.9818 10.9818 11.3468 11.3468 11.4269 11.4269 11.7259 11.7259 11.7267 11.7267 12.4327 12.4327 12.4375 12.4375 k = 0.5000 1.0627 0.0878 ( 3220 PWs) bands (ev): -45.7458 -45.7458 -45.7457 -45.7457 -22.5284 -22.5284 -22.5271 -22.5271 -21.8953 -21.8953 -21.8948 -21.8948 -21.8503 -21.8503 -21.8486 -21.8486 7.4365 7.4365 7.4763 7.4763 7.8933 7.8933 7.9081 7.9081 8.2218 8.2218 8.3041 8.3041 8.5870 8.5870 8.6047 8.6047 9.3866 9.3866 9.3897 9.3897 10.8790 10.8790 10.9474 10.9474 11.2934 11.2934 11.3745 11.3745 11.6987 11.6987 11.7018 11.7018 12.4203 12.4203 12.4245 12.4245 k = 0.5000 1.0617 0.0694 ( 3220 PWs) bands (ev): -45.7458 -45.7458 -45.7457 -45.7457 -22.5285 -22.5285 -22.5272 -22.5272 -21.8954 -21.8954 -21.8949 -21.8949 -21.8504 -21.8504 -21.8488 -21.8488 7.4667 7.4667 7.5029 7.5029 7.8962 7.8962 7.9096 7.9096 8.2506 8.2506 8.3246 8.3246 8.6147 8.6147 8.6292 8.6292 9.3576 9.3576 9.3604 9.3604 10.8532 10.8532 10.9184 10.9184 11.2409 11.2409 11.3205 11.3205 11.6774 11.6774 11.6826 11.6826 12.4091 12.4091 12.4126 12.4126 k = 0.5000 1.0607 0.0511 ( 3220 PWs) bands (ev): -45.7458 -45.7458 -45.7457 -45.7457 -22.5285 -22.5285 -22.5274 -22.5274 -21.8954 -21.8954 -21.8950 -21.8950 -21.8504 -21.8504 -21.8491 -21.8491 7.4948 7.4948 7.5271 7.5271 7.8983 7.8983 7.9102 7.9102 8.2771 8.2771 8.3420 8.3420 8.6413 8.6413 8.6527 8.6527 9.3299 9.3299 9.3324 9.3324 10.8332 10.8332 10.8947 10.8947 11.1910 11.1910 11.2670 11.2670 11.6614 11.6614 11.6671 11.6671 12.3991 12.3991 12.4020 12.4020 k = 0.5000 1.0596 0.0327 ( 3220 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5285 -22.5285 -22.5276 -22.5276 -21.8955 -21.8955 -21.8951 -21.8951 -21.8504 -21.8504 -21.8493 -21.8493 7.5205 7.5205 7.5483 7.5483 7.8998 7.8998 7.9101 7.9101 8.3010 8.3010 8.3561 8.3561 8.6662 8.6662 8.6748 8.6748 9.3044 9.3044 9.3064 9.3064 10.8192 10.8192 10.8761 10.8761 11.1455 11.1455 11.2160 11.2160 11.6493 11.6493 11.6548 11.6548 12.3905 12.3905 12.3929 12.3929 k = 0.5000 1.0586 0.0143 ( 3218 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5285 -22.5285 -22.5277 -22.5277 -21.8955 -21.8955 -21.8952 -21.8952 -21.8504 -21.8504 -21.8495 -21.8495 7.5432 7.5432 7.5660 7.5660 7.9008 7.9008 7.9093 7.9093 8.3219 8.3219 8.3667 8.3667 8.6885 8.6885 8.6948 8.6948 9.2816 9.2816 9.2831 9.2831 10.8109 10.8109 10.8619 10.8619 11.1063 11.1063 11.1689 11.1689 11.6403 11.6403 11.6451 11.6451 12.3834 12.3834 12.3853 12.3853 k = 0.5000 1.0576-0.0040 ( 3212 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5284 -22.5284 -22.5279 -22.5279 -21.8954 -21.8954 -21.8952 -21.8952 -21.8504 -21.8504 -21.8497 -21.8497 7.5623 7.5623 7.5798 7.5798 7.9015 7.9015 7.9080 7.9080 8.3397 8.3397 8.3738 8.3738 8.7075 8.7075 8.7117 8.7117 9.2624 9.2624 9.2635 9.2635 10.8080 10.8080 10.8510 10.8510 11.0752 11.0752 11.1272 11.1272 11.6339 11.6339 11.6377 11.6377 12.3778 12.3778 12.3792 12.3792 k = 0.5000 1.0565-0.0224 ( 3218 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5284 -22.5284 -22.5280 -22.5280 -21.8954 -21.8954 -21.8953 -21.8953 -21.8504 -21.8504 -21.8499 -21.8499 7.5772 7.5772 7.5891 7.5891 7.9021 7.9021 7.9065 7.9065 8.3542 8.3542 8.3771 8.3771 8.7221 8.7221 8.7247 8.7247 9.2478 9.2478 9.2485 9.2485 10.8100 10.8100 10.8417 10.8417 11.0545 11.0545 11.0925 11.0925 11.6297 11.6297 11.6323 11.6323 12.3738 12.3738 12.3747 12.3747 k = 0.5000 1.0555-0.0408 ( 3222 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5283 -22.5283 -22.5281 -22.5281 -21.8954 -21.8954 -21.8954 -21.8954 -21.8503 -21.8503 -21.8501 -21.8501 7.5877 7.5877 7.5937 7.5937 7.9028 7.9028 7.9051 7.9051 8.3653 8.3653 8.3768 8.3768 8.7315 8.7315 8.7327 8.7327 9.2386 9.2386 9.2390 9.2390 10.8157 10.8157 10.8327 10.8327 11.0460 11.0460 11.0662 11.0662 11.6275 11.6275 11.6289 11.6289 12.3715 12.3715 12.3720 12.3720 k = 0.5000 1.0545-0.0591 ( 3224 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5282 -22.5282 -22.5282 -22.5282 -21.8954 -21.8954 -21.8954 -21.8954 -21.8502 -21.8502 -21.8502 -21.8502 7.5932 7.5932 7.5932 7.5932 7.9038 7.9038 7.9038 7.9038 8.3729 8.3729 8.3729 8.3729 8.7351 8.7351 8.7351 8.7351 9.2356 9.2356 9.2356 9.2356 10.8238 10.8238 10.8238 10.8238 11.0502 11.0502 11.0502 11.0502 11.6273 11.6273 11.6273 11.6273 12.3709 12.3709 12.3709 12.3709 k = 0.5000 1.0545-0.0591 ( 3224 PWs) bands (ev): -45.7457 -45.7457 -45.7457 -45.7457 -22.5282 -22.5282 -22.5282 -22.5282 -21.8954 -21.8954 -21.8954 -21.8954 -21.8502 -21.8502 -21.8502 -21.8502 7.5932 7.5932 7.5932 7.5932 7.9038 7.9038 7.9038 7.9038 8.3729 8.3729 8.3729 8.3729 8.7351 8.7351 8.7351 8.7351 9.2356 9.2356 9.2356 9.2356 10.8238 10.8238 10.8238 10.8238 11.0502 11.0502 11.0502 11.0502 11.6273 11.6273 11.6273 11.6273 12.3709 12.3709 12.3709 12.3709 k = 0.4815 1.0545-0.0591 ( 3220 PWs) bands (ev): -45.7458 -45.7458 -45.7456 -45.7456 -22.5287 -22.5287 -22.5278 -22.5278 -21.8959 -21.8959 -21.8949 -21.8949 -21.8505 -21.8505 -21.8498 -21.8498 7.5885 7.5885 7.5977 7.5977 7.8918 7.8918 7.9171 7.9171 8.3650 8.3650 8.3805 8.3805 8.7155 8.7155 8.7548 8.7548 9.2274 9.2274 9.2458 9.2458 10.8126 10.8126 10.8300 10.8300 11.0367 11.0367 11.0653 11.0653 11.5962 11.5962 11.6560 11.6560 12.3562 12.3562 12.3858 12.3858 k = 0.4630 1.0545-0.0591 ( 3218 PWs) bands (ev): -45.7459 -45.7459 -45.7455 -45.7455 -22.5291 -22.5291 -22.5273 -22.5273 -21.8964 -21.8964 -21.8944 -21.8944 -21.8509 -21.8509 -21.8495 -21.8495 7.5836 7.5836 7.6020 7.6020 7.8808 7.8808 7.9315 7.9315 8.3571 8.3571 8.3875 8.3875 8.6966 8.6966 8.7740 8.7740 9.2218 9.2218 9.2575 9.2575 10.7983 10.7983 10.8292 10.8292 11.0268 11.0268 11.0807 11.0807 11.5629 11.5629 11.6824 11.6824 12.3418 12.3418 12.4009 12.4009 k = 0.4444 1.0545-0.0591 ( 3218 PWs) bands (ev): -45.7461 -45.7461 -45.7454 -45.7454 -22.5296 -22.5296 -22.5269 -22.5269 -21.8970 -21.8970 -21.8938 -21.8938 -21.8512 -21.8512 -21.8491 -21.8491 7.5787 7.5787 7.6059 7.6059 7.8709 7.8709 7.9473 7.9473 8.3491 8.3491 8.3938 8.3938 8.6790 8.6790 8.7920 8.7920 9.2195 9.2195 9.2700 9.2700 10.7818 10.7818 10.8196 10.8196 11.0223 11.0223 11.0955 11.0955 11.5274 11.5274 11.7063 11.7063 12.3278 12.3278 12.4159 12.4159 k = 0.4259 1.0545-0.0591 ( 3218 PWs) bands (ev): -45.7462 -45.7462 -45.7452 -45.7452 -22.5300 -22.5300 -22.5264 -22.5264 -21.8975 -21.8975 -21.8933 -21.8933 -21.8516 -21.8516 -21.8488 -21.8488 7.5737 7.5737 7.6095 7.6095 7.8620 7.8620 7.9643 7.9643 8.3413 8.3413 8.3989 8.3989 8.6633 8.6633 8.8081 8.8081 9.2213 9.2213 9.2830 9.2830 10.7639 10.7639 10.8009 10.8009 11.0234 11.0234 11.1091 11.1091 11.4899 11.4899 11.7279 11.7279 12.3144 12.3144 12.4308 12.4308 k = 0.4074 1.0545-0.0591 ( 3220 PWs) bands (ev): -45.7463 -45.7463 -45.7451 -45.7451 -22.5304 -22.5304 -22.5260 -22.5260 -21.8980 -21.8980 -21.8928 -21.8928 -21.8519 -21.8519 -21.8485 -21.8485 7.5689 7.5689 7.6128 7.6128 7.8539 7.8539 7.9826 7.9826 8.3338 8.3338 8.4025 8.4025 8.6500 8.6500 8.8217 8.8217 9.2278 9.2278 9.2962 9.2962 10.7449 10.7449 10.7743 10.7743 11.0292 11.0292 11.1213 11.1213 11.4505 11.4505 11.7471 11.7471 12.3014 12.3014 12.4454 12.4454 k = 0.3889 1.0545-0.0591 ( 3222 PWs) bands (ev): -45.7464 -45.7464 -45.7450 -45.7450 -22.5309 -22.5309 -22.5256 -22.5256 -21.8985 -21.8985 -21.8923 -21.8923 -21.8522 -21.8522 -21.8481 -21.8481 7.5641 7.5641 7.6157 7.6157 7.8465 7.8465 8.0022 8.0022 8.3265 8.3265 8.4042 8.4042 8.6394 8.6394 8.8327 8.8327 9.2392 9.2392 9.3093 9.3093 10.7238 10.7238 10.7430 10.7430 11.0381 11.0381 11.1322 11.1322 11.4093 11.4093 11.7639 11.7639 12.2891 12.2891 12.4595 12.4595 k = 0.3704 1.0545-0.0591 ( 3228 PWs) bands (ev): -45.7465 -45.7465 -45.7449 -45.7449 -22.5313 -22.5313 -22.5252 -22.5252 -21.8990 -21.8990 -21.8919 -21.8919 -21.8526 -21.8526 -21.8478 -21.8478 7.5596 7.5596 7.6183 7.6183 7.8397 7.8397 8.0230 8.0230 8.3195 8.3195 8.4037 8.4037 8.6320 8.6320 8.8409 8.8409 9.2555 9.2555 9.3223 9.3223 10.6939 10.6939 10.7153 10.7153 11.0486 11.0486 11.1419 11.1419 11.3666 11.3666 11.7784 11.7784 12.2773 12.2773 12.4730 12.4730 k = 0.3519 1.0545-0.0591 ( 3228 PWs) bands (ev): -45.7466 -45.7466 -45.7448 -45.7448 -22.5317 -22.5317 -22.5248 -22.5248 -21.8995 -21.8995 -21.8914 -21.8914 -21.8529 -21.8529 -21.8475 -21.8475 7.5552 7.5552 7.6206 7.6206 7.8335 7.8335 8.0449 8.0449 8.3129 8.3129 8.4011 8.4011 8.6276 8.6276 8.8467 8.8467 9.2759 9.2759 9.3354 9.3354 10.6530 10.6530 10.6949 10.6949 11.0596 11.0596 11.1503 11.1503 11.3227 11.3227 11.7906 11.7906 12.2662 12.2662 12.4857 12.4857 k = 0.3333 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7467 -45.7467 -45.7447 -45.7447 -22.5321 -22.5321 -22.5245 -22.5245 -21.9000 -21.9000 -21.8910 -21.8910 -21.8532 -21.8532 -21.8472 -21.8472 7.5511 7.5511 7.6226 7.6226 7.8276 7.8276 8.0678 8.0678 8.3067 8.3067 8.3965 8.3965 8.6260 8.6260 8.8507 8.8507 9.2984 9.2984 9.3500 9.3500 10.6072 10.6072 10.6769 10.6769 11.0701 11.0701 11.1578 11.1578 11.2784 11.2784 11.8005 11.8005 12.2556 12.2556 12.4974 12.4974 k = 0.3148 1.0545-0.0591 ( 3236 PWs) bands (ev): -45.7468 -45.7468 -45.7446 -45.7446 -22.5325 -22.5325 -22.5241 -22.5241 -21.9005 -21.9005 -21.8905 -21.8905 -21.8535 -21.8535 -21.8469 -21.8469 7.5473 7.5473 7.6245 7.6245 7.8221 7.8221 8.0915 8.0915 8.3009 8.3009 8.3901 8.3901 8.6268 8.6268 8.8538 8.8538 9.3190 9.3190 9.3693 9.3693 10.5584 10.5584 10.6601 10.6601 11.0783 11.0783 11.1644 11.1644 11.2349 11.2349 11.8083 11.8083 12.2456 12.2456 12.5082 12.5082 k = 0.2963 1.0545-0.0591 ( 3234 PWs) bands (ev): -45.7469 -45.7469 -45.7445 -45.7445 -22.5329 -22.5329 -22.5238 -22.5238 -21.9009 -21.9009 -21.8901 -21.8901 -21.8538 -21.8538 -21.8467 -21.8467 7.5438 7.5438 7.6263 7.6263 7.8168 7.8168 8.1160 8.1160 8.2955 8.2955 8.3825 8.3825 8.6293 8.6293 8.8566 8.8566 9.3334 9.3334 9.3968 9.3968 10.5077 10.5077 10.6445 10.6445 11.0807 11.0807 11.1700 11.1700 11.1958 11.1958 11.8141 11.8141 12.2362 12.2362 12.5179 12.5179 k = 0.2778 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7470 -45.7470 -45.7444 -45.7444 -22.5332 -22.5332 -22.5234 -22.5234 -21.9013 -21.9013 -21.8897 -21.8897 -21.8541 -21.8541 -21.8463 -21.8463 7.5405 7.5405 7.6281 7.6281 7.8116 7.8116 8.1409 8.1409 8.2905 8.2905 8.3741 8.3741 8.6329 8.6329 8.8600 8.8600 9.3417 9.3417 9.4318 9.4318 10.4555 10.4555 10.6302 10.6302 11.0691 11.0691 11.1670 11.1670 11.1772 11.1772 11.8180 11.8180 12.2273 12.2273 12.5266 12.5266 k = 0.2593 1.0545-0.0591 ( 3230 PWs) bands (ev): -45.7471 -45.7471 -45.7443 -45.7443 -22.5336 -22.5336 -22.5231 -22.5231 -21.9017 -21.9017 -21.8892 -21.8892 -21.8544 -21.8544 -21.8461 -21.8461 7.5375 7.5375 7.6299 7.6299 7.8066 7.8066 8.1661 8.1661 8.2860 8.2860 8.3654 8.3654 8.6370 8.6370 8.8647 8.8647 9.3457 9.3457 9.4718 9.4718 10.4026 10.4026 10.6172 10.6172 11.0377 11.0377 11.1589 11.1589 11.1814 11.1814 11.8202 11.8202 12.2188 12.2188 12.5342 12.5342 k = 0.2407 1.0545-0.0591 ( 3230 PWs) bands (ev): -45.7472 -45.7472 -45.7442 -45.7442 -22.5339 -22.5339 -22.5228 -22.5228 -21.9021 -21.9021 -21.8889 -21.8889 -21.8546 -21.8546 -21.8458 -21.8458 7.5348 7.5348 7.6318 7.6318 7.8015 7.8015 8.1911 8.1911 8.2819 8.2819 8.3568 8.3568 8.6411 8.6411 8.8711 8.8711 9.3465 9.3465 9.5152 9.5152 10.3494 10.3494 10.6056 10.6056 10.9934 10.9934 11.1613 11.1613 11.1861 11.1861 11.8208 11.8208 12.2108 12.2108 12.5408 12.5408 k = 0.2222 1.0545-0.0591 ( 3230 PWs) bands (ev): -45.7473 -45.7473 -45.7442 -45.7442 -22.5342 -22.5342 -22.5225 -22.5225 -21.9024 -21.9024 -21.8885 -21.8885 -21.8548 -21.8548 -21.8456 -21.8456 7.5324 7.5324 7.6339 7.6339 7.7965 7.7965 8.2154 8.2154 8.2782 8.2782 8.3487 8.3487 8.6451 8.6451 8.8795 8.8795 9.3446 9.3446 9.5613 9.5613 10.2965 10.2965 10.5954 10.5954 10.9435 10.9435 11.1676 11.1676 11.1907 11.1907 11.8200 11.8200 12.2031 12.2031 12.5465 12.5465 k = 0.2037 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7473 -45.7473 -45.7441 -45.7441 -22.5345 -22.5345 -22.5222 -22.5222 -21.9028 -21.9028 -21.8882 -21.8882 -21.8551 -21.8551 -21.8454 -21.8454 7.5302 7.5302 7.6361 7.6361 7.7914 7.7914 8.2385 8.2385 8.2751 8.2751 8.3415 8.3415 8.6488 8.6488 8.8902 8.8902 9.3401 9.3401 9.6094 9.6094 10.2444 10.2444 10.5866 10.5866 10.8908 10.8908 11.1751 11.1751 11.1951 11.1951 11.8182 11.8182 12.1957 12.1957 12.5515 12.5515 k = 0.1852 1.0545-0.0591 ( 3234 PWs) bands (ev): -45.7474 -45.7474 -45.7440 -45.7440 -22.5347 -22.5347 -22.5220 -22.5220 -21.9031 -21.9031 -21.8879 -21.8879 -21.8553 -21.8553 -21.8452 -21.8452 7.5282 7.5282 7.6385 7.6385 7.7863 7.7863 8.2588 8.2588 8.2729 8.2729 8.3362 8.3362 8.6523 8.6523 8.9031 8.9031 9.3333 9.3333 9.6592 9.6592 10.1938 10.1938 10.5791 10.5791 10.8364 10.8364 11.1828 11.1828 11.1994 11.1994 11.8154 11.8154 12.1887 12.1887 12.5557 12.5557 k = 0.1667 1.0545-0.0591 ( 3238 PWs) bands (ev): -45.7475 -45.7475 -45.7439 -45.7439 -22.5350 -22.5350 -22.5218 -22.5218 -21.9034 -21.9034 -21.8877 -21.8877 -21.8555 -21.8555 -21.8450 -21.8450 7.5264 7.5264 7.6411 7.6411 7.7812 7.7812 8.2677 8.2677 8.2783 8.2783 8.3343 8.3343 8.6558 8.6558 8.9179 8.9179 9.3243 9.3243 9.7103 9.7103 10.1454 10.1454 10.5728 10.5728 10.7810 10.7810 11.1901 11.1901 11.2037 11.2037 11.8120 11.8120 12.1821 12.1821 12.5593 12.5593 k = 0.1481 1.0545-0.0591 ( 3234 PWs) bands (ev): -45.7475 -45.7475 -45.7439 -45.7439 -22.5352 -22.5352 -22.5216 -22.5216 -21.9036 -21.9036 -21.8874 -21.8874 -21.8557 -21.8557 -21.8448 -21.8448 7.5249 7.5249 7.6439 7.6439 7.7762 7.7762 8.2665 8.2665 8.2872 8.2872 8.3383 8.3383 8.6594 8.6594 8.9344 8.9344 9.3134 9.3134 9.7622 9.7622 10.0998 10.0998 10.5674 10.5674 10.7250 10.7250 11.1970 11.1970 11.2077 11.2077 11.8081 11.8081 12.1758 12.1758 12.5624 12.5624 k = 0.1296 1.0545-0.0591 ( 3234 PWs) bands (ev): -45.7476 -45.7476 -45.7438 -45.7438 -22.5354 -22.5354 -22.5214 -22.5214 -21.9038 -21.9038 -21.8872 -21.8872 -21.8558 -21.8558 -21.8447 -21.8447 7.5235 7.5235 7.6468 7.6468 7.7713 7.7713 8.2650 8.2650 8.2897 8.2897 8.3482 8.3482 8.6634 8.6634 8.9523 8.9523 9.3009 9.3009 9.8143 9.8143 10.0583 10.0583 10.5624 10.5624 10.6691 10.6691 11.2031 11.2031 11.2116 11.2116 11.8041 11.8041 12.1700 12.1700 12.5649 12.5649 k = 0.1111 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7476 -45.7476 -45.7438 -45.7438 -22.5355 -22.5355 -22.5212 -22.5212 -21.9040 -21.9040 -21.8870 -21.8870 -21.8559 -21.8559 -21.8446 -21.8446 7.5223 7.5223 7.6497 7.6497 7.7666 7.7666 8.2636 8.2636 8.2883 8.2883 8.3604 8.3604 8.6678 8.6678 8.9709 8.9709 9.2870 9.2870 9.8649 9.8649 10.0228 10.0228 10.5560 10.5560 10.6153 10.6153 11.2086 11.2086 11.2152 11.2152 11.8001 11.8001 12.1646 12.1646 12.5671 12.5671 k = 0.0926 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7477 -45.7477 -45.7438 -45.7438 -22.5357 -22.5357 -22.5211 -22.5211 -21.9042 -21.9042 -21.8868 -21.8868 -21.8560 -21.8560 -21.8444 -21.8444 7.5214 7.5214 7.6526 7.6526 7.7621 7.7621 8.2626 8.2626 8.2856 8.2856 8.3722 8.3722 8.6724 8.6724 8.9898 8.9898 9.2724 9.2724 9.9075 9.9075 10.0001 10.0001 10.5358 10.5358 10.5760 10.5760 11.2133 11.2133 11.2184 11.2184 11.7962 11.7962 12.1599 12.1599 12.5689 12.5689 k = 0.0741 1.0545-0.0591 ( 3234 PWs) bands (ev): -45.7477 -45.7477 -45.7437 -45.7437 -22.5358 -22.5358 -22.5210 -22.5210 -21.9043 -21.9043 -21.8867 -21.8867 -21.8561 -21.8561 -21.8444 -21.8444 7.5205 7.5205 7.6553 7.6553 7.7581 7.7581 8.2619 8.2619 8.2827 8.2827 8.3823 8.3823 8.6771 8.6771 9.0083 9.0083 9.2575 9.2575 9.9212 9.9212 10.0115 10.0115 10.4884 10.4884 10.5651 10.5651 11.2173 11.2173 11.2211 11.2211 11.7928 11.7928 12.1559 12.1559 12.5703 12.5703 k = 0.0556 1.0545-0.0591 ( 3236 PWs) bands (ev): -45.7477 -45.7477 -45.7437 -45.7437 -22.5359 -22.5359 -22.5209 -22.5209 -21.9044 -21.9044 -21.8866 -21.8866 -21.8562 -21.8562 -21.8443 -21.8443 7.5199 7.5199 7.6577 7.6577 7.7548 7.7548 8.2614 8.2614 8.2801 8.2801 8.3902 8.3902 8.6813 8.6813 9.0254 9.0254 9.2433 9.2433 9.9093 9.9093 10.0533 10.0533 10.4350 10.4350 10.5619 10.5619 11.2205 11.2205 11.2232 11.2232 11.7900 11.7900 12.1527 12.1527 12.5713 12.5713 k = 0.0370 1.0545-0.0591 ( 3236 PWs) bands (ev): -45.7477 -45.7477 -45.7437 -45.7437 -22.5359 -22.5359 -22.5209 -22.5209 -21.9045 -21.9045 -21.8865 -21.8865 -21.8563 -21.8563 -21.8443 -21.8443 7.5195 7.5195 7.6596 7.6596 7.7522 7.7522 8.2612 8.2612 8.2781 8.2781 8.3959 8.3959 8.6847 8.6847 9.0398 9.0398 9.2311 9.2311 9.8955 9.8955 10.1007 10.1007 10.3836 10.3836 10.5605 10.5605 11.2229 11.2229 11.2247 11.2247 11.7879 11.7879 12.1503 12.1503 12.5721 12.5721 k = 0.0185 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7477 -45.7477 -45.7437 -45.7437 -22.5360 -22.5360 -22.5208 -22.5208 -21.9045 -21.9045 -21.8864 -21.8864 -21.8563 -21.8563 -21.8442 -21.8442 7.5192 7.5192 7.6608 7.6608 7.7506 7.7506 8.2611 8.2611 8.2768 8.2768 8.3993 8.3993 8.6870 8.6870 9.0497 9.0497 9.2225 9.2225 9.8861 9.8861 10.1423 10.1423 10.3402 10.3402 10.5598 10.5598 11.2245 11.2245 11.2254 11.2254 11.7866 11.7866 12.1488 12.1488 12.5726 12.5726 k = 0.0000 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5360 -22.5360 -22.5207 -22.5207 -21.9046 -21.9046 -21.8864 -21.8864 -21.8563 -21.8563 -21.8442 -21.8442 7.5191 7.5191 7.6612 7.6612 7.7500 7.7500 8.2610 8.2610 8.2763 8.2763 8.4004 8.4004 8.6878 8.6878 9.0532 9.0532 9.2194 9.2194 9.8829 9.8829 10.1613 10.1613 10.3207 10.3207 10.5596 10.5596 11.2252 11.2252 11.2255 11.2255 11.7861 11.7861 12.1483 12.1483 12.5727 12.5727 k = 0.0000 1.0545-0.0591 ( 3232 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5360 -22.5360 -22.5207 -22.5207 -21.9046 -21.9046 -21.8864 -21.8864 -21.8563 -21.8563 -21.8442 -21.8442 7.5191 7.5191 7.6612 7.6612 7.7500 7.7500 8.2610 8.2610 8.2763 8.2763 8.4004 8.4004 8.6878 8.6878 9.0532 9.0532 9.2194 9.2194 9.8829 9.8829 10.1613 10.1613 10.3207 10.3207 10.5596 10.5596 11.2252 11.2252 11.2255 11.2255 11.7861 11.7861 12.1483 12.1483 12.5727 12.5727 k = 0.0000 1.0555-0.0408 ( 3234 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5360 -22.5360 -22.5208 -22.5208 -21.9046 -21.9046 -21.8864 -21.8864 -21.8563 -21.8563 -21.8442 -21.8442 7.5177 7.5177 7.6604 7.6604 7.7474 7.7474 8.2560 8.2560 8.2786 8.2786 8.4000 8.4000 8.6870 8.6870 9.0525 9.0525 9.2170 9.2170 9.8861 9.8861 10.1649 10.1649 10.3144 10.3144 10.5684 10.5684 11.1984 11.1984 11.2589 11.2589 11.7869 11.7869 12.1494 12.1494 12.5740 12.5740 k = 0.0000 1.0565-0.0224 ( 3234 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5360 -22.5360 -22.5207 -22.5207 -21.9045 -21.9045 -21.8864 -21.8864 -21.8563 -21.8563 -21.8442 -21.8442 7.5134 7.5134 7.6582 7.6582 7.7398 7.7398 8.2449 8.2449 8.2813 8.2813 8.3986 8.3986 8.6848 8.6848 9.0501 9.0501 9.2100 9.2100 9.8957 9.8957 10.1755 10.1755 10.2981 10.2981 10.5923 10.5923 11.1784 11.1784 11.2989 11.2989 11.7891 11.7891 12.1524 12.1524 12.5780 12.5780 k = 0.0000 1.0576-0.0040 ( 3234 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5359 -22.5359 -22.5207 -22.5207 -21.9045 -21.9045 -21.8864 -21.8864 -21.8562 -21.8562 -21.8441 -21.8441 7.5063 7.5063 7.6547 7.6547 7.7274 7.7274 8.2303 8.2303 8.2819 8.2819 8.3963 8.3963 8.6812 8.6812 9.0462 9.0462 9.1989 9.1989 9.9114 9.9114 10.1919 10.1919 10.2775 10.2775 10.6266 10.6266 11.1655 11.1655 11.3448 11.3448 11.7927 11.7927 12.1576 12.1576 12.5846 12.5846 k = 0.0000 1.0586 0.0143 ( 3237 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5358 -22.5358 -22.5207 -22.5207 -21.9044 -21.9044 -21.8864 -21.8864 -21.8561 -21.8561 -21.8441 -21.8441 7.4961 7.4961 7.6501 7.6501 7.7106 7.7106 8.2129 8.2129 8.2799 8.2799 8.3930 8.3930 8.6761 8.6761 9.0407 9.0407 9.1844 9.1844 9.9325 9.9325 10.2093 10.2093 10.2607 10.2607 10.6675 10.6675 11.1598 11.1598 11.3961 11.3961 11.7978 11.7978 12.1647 12.1647 12.5939 12.5939 k = 0.0000 1.0596 0.0327 ( 3235 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5357 -22.5357 -22.5206 -22.5206 -21.9043 -21.9043 -21.8863 -21.8863 -21.8560 -21.8560 -21.8441 -21.8441 7.4830 7.4830 7.6444 7.6444 7.6903 7.6903 8.1929 8.1929 8.2752 8.2752 8.3887 8.3887 8.6697 8.6697 9.0336 9.0336 9.1672 9.1672 9.9580 9.9580 10.2108 10.2108 10.2668 10.2668 10.7126 10.7126 11.1612 11.1612 11.4525 11.4525 11.8041 11.8041 12.1738 12.1738 12.6060 12.6060 k = 0.0000 1.0607 0.0511 ( 3235 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5356 -22.5356 -22.5206 -22.5206 -21.9042 -21.9042 -21.8863 -21.8863 -21.8558 -21.8558 -21.8440 -21.8440 7.4668 7.4668 7.6365 7.6365 7.6682 7.6682 8.1705 8.1705 8.2678 8.2678 8.3833 8.3833 8.6621 8.6621 9.0247 9.0247 9.1484 9.1484 9.9859 9.9859 10.1977 10.1977 10.2964 10.2964 10.7605 10.7605 11.1696 11.1696 11.5132 11.5132 11.8117 11.8117 12.1847 12.1847 12.6208 12.6208 k = 0.0000 1.0617 0.0694 ( 3236 PWs) bands (ev): -45.7478 -45.7478 -45.7437 -45.7437 -22.5355 -22.5355 -22.5205 -22.5205 -21.9040 -21.9040 -21.8862 -21.8862 -21.8557 -21.8557 -21.8440 -21.8440 7.4478 7.4478 7.6220 7.6220 7.6494 7.6494 8.1459 8.1459 8.2576 8.2576 8.3770 8.3770 8.6532 8.6532 9.0138 9.0138 9.1290 9.1290 10.0124 10.0124 10.1881 10.1881 10.3346 10.3346 10.8102 10.8102 11.1849 11.1849 11.5777 11.5777 11.8205 11.8205 12.1976 12.1976 12.6384 12.6384 k = 0.0000 1.0627 0.0878 ( 3234 PWs) bands (ev): -45.7478 -45.7478 -45.7438 -45.7438 -22.5353 -22.5353 -22.5205 -22.5205 -21.9039 -21.9039 -21.8862 -21.8862 -21.8555 -21.8555 -21.8439 -21.8439 7.4262 7.4262 7.5970 7.5970 7.6387 7.6387 8.1192 8.1192 8.2448 8.2448 8.3698 8.3698 8.6432 8.6432 9.0008 9.0008 9.1101 9.1101 10.0312 10.0312 10.1911 10.1911 10.3777 10.3777 10.8612 10.8612 11.2067 11.2067 11.6454 11.6454 11.8302 11.8302 12.2121 12.2121 12.6590 12.6590 k = 0.0000 1.0638 0.1062 ( 3240 PWs) bands (ev): -45.7478 -45.7478 -45.7438 -45.7438 -22.5352 -22.5352 -22.5204 -22.5204 -21.9037 -21.9037 -21.8861 -21.8861 -21.8553 -21.8553 -21.8438 -21.8438 7.4023 7.4023 7.5660 7.5660 7.6319 7.6319 8.0907 8.0907 8.2292 8.2292 8.3619 8.3619 8.6321 8.6321 8.9855 8.9855 9.0925 9.0925 10.0368 10.0368 10.2126 10.2126 10.4242 10.4242 10.9129 10.9129 11.2347 11.2347 11.7155 11.7155 11.8411 11.8411 12.2284 12.2284 12.6826 12.6826 k = 0.0000 1.0648 0.1245 ( 3242 PWs) bands (ev): -45.7478 -45.7478 -45.7438 -45.7438 -22.5350 -22.5350 -22.5203 -22.5203 -21.9036 -21.9036 -21.8860 -21.8860 -21.8550 -21.8550 -21.8437 -21.8437 7.3766 7.3766 7.5324 7.5324 7.6264 7.6264 8.0606 8.0606 8.2111 8.2111 8.3533 8.3533 8.6200 8.6200 8.9678 8.9678 9.0771 9.0771 10.0310 10.0310 10.2505 10.2505 10.4736 10.4736 10.9648 10.9648 11.2684 11.2684 11.7865 11.7865 11.8536 11.8536 12.2462 12.2462 12.7093 12.7093 k = 0.0000 1.0658 0.1429 ( 3240 PWs) bands (ev): -45.7478 -45.7478 -45.7438 -45.7438 -22.5348 -22.5348 -22.5202 -22.5202 -21.9034 -21.9034 -21.8859 -21.8859 -21.8547 -21.8547 -21.8437 -21.8437 7.3492 7.3492 7.4972 7.4972 7.6215 7.6215 8.0292 8.0292 8.1906 8.1906 8.3443 8.3443 8.6070 8.6070 8.9481 8.9481 9.0641 9.0641 10.0191 10.0191 10.2989 10.2989 10.5251 10.5251 11.0168 11.0168 11.3073 11.3073 11.8483 11.8483 11.8771 11.8771 12.2654 12.2654 12.7392 12.7392 k = 0.0000 1.0668 0.1613 ( 3232 PWs) bands (ev): -45.7478 -45.7478 -45.7439 -45.7439 -22.5345 -22.5345 -22.5201 -22.5201 -21.9031 -21.9031 -21.8858 -21.8858 -21.8544 -21.8544 -21.8435 -21.8435 7.3208 7.3208 7.4611 7.4611 7.6168 7.6168 7.9968 7.9968 8.1679 8.1679 8.3348 8.3348 8.5931 8.5931 8.9269 8.9269 9.0535 9.0535 10.0045 10.0045 10.3538 10.3538 10.5785 10.5785 11.0684 11.0684 11.3508 11.3508 11.8705 11.8705 11.9411 11.9411 12.2860 12.2860 12.7724 12.7724 k = 0.0000 1.0679 0.1796 ( 3237 PWs) bands (ev): -45.7478 -45.7478 -45.7439 -45.7439 -22.5343 -22.5343 -22.5200 -22.5200 -21.9029 -21.9029 -21.8858 -21.8858 -21.8541 -21.8541 -21.8435 -21.8435 7.2915 7.2915 7.4246 7.4246 7.6124 7.6124 7.9637 7.9637 8.1432 8.1432 8.3251 8.3251 8.5785 8.5785 8.9048 8.9048 9.0452 9.0452 9.9888 9.9888 10.4129 10.4129 10.6333 10.6333 11.1194 11.1194 11.3981 11.3981 11.8838 11.8838 12.0139 12.0139 12.3077 12.3077 12.8091 12.8091 k = 0.0000 1.0689 0.1980 ( 3233 PWs) bands (ev): -45.7478 -45.7478 -45.7439 -45.7439 -22.5340 -22.5340 -22.5199 -22.5199 -21.9027 -21.9027 -21.8857 -21.8857 -21.8538 -21.8538 -21.8434 -21.8434 7.2618 7.2618 7.3880 7.3880 7.6081 7.6081 7.9302 7.9302 8.1168 8.1168 8.3151 8.3151 8.5632 8.5632 8.8823 8.8823 9.0389 9.0389 9.9729 9.9729 10.4749 10.4749 10.6891 10.6891 11.1696 11.1696 11.4488 11.4488 11.8961 11.8961 12.0865 12.0865 12.3305 12.3305 12.8495 12.8495 k = 0.0000 1.0699 0.2164 ( 3235 PWs) bands (ev): -45.7478 -45.7478 -45.7440 -45.7440 -22.5337 -22.5337 -22.5198 -22.5198 -21.9024 -21.9024 -21.8856 -21.8856 -21.8534 -21.8534 -21.8433 -21.8433 7.2320 7.2320 7.3515 7.3515 7.6039 7.6039 7.8965 7.8965 8.0891 8.0891 8.3050 8.3050 8.5473 8.5473 8.8599 8.8599 9.0344 9.0344 9.9570 9.9570 10.5390 10.5390 10.7458 10.7458 11.2187 11.2187 11.5020 11.5020 11.9080 11.9080 12.1575 12.1575 12.3541 12.3541 12.8936 12.8936 k = 0.0000 1.0710 0.2347 ( 3240 PWs) bands (ev): -45.7478 -45.7478 -45.7440 -45.7440 -22.5335 -22.5335 -22.5197 -22.5197 -21.9022 -21.9022 -21.8854 -21.8854 -21.8531 -21.8531 -21.8432 -21.8432 7.2022 7.2022 7.3156 7.3156 7.5998 7.5998 7.8630 7.8630 8.0605 8.0605 8.2948 8.2948 8.5309 8.5309 8.8380 8.8380 9.0314 9.0314 9.9413 9.9413 10.6044 10.6044 10.8029 10.8029 11.2664 11.2664 11.5573 11.5573 11.9193 11.9193 12.2255 12.2255 12.3786 12.3786 12.9415 12.9415 k = 0.0000 1.0720 0.2531 ( 3239 PWs) bands (ev): -45.7478 -45.7478 -45.7440 -45.7440 -22.5332 -22.5332 -22.5196 -22.5196 -21.9020 -21.9020 -21.8854 -21.8854 -21.8528 -21.8528 -21.8431 -21.8431 7.1729 7.1729 7.2804 7.2804 7.5958 7.5958 7.8299 7.8299 8.0311 8.0311 8.2845 8.2845 8.5142 8.5142 8.8169 8.8169 9.0299 9.0299 9.9260 9.9260 10.6706 10.6706 10.8603 10.8603 11.3125 11.3125 11.6139 11.6139 11.9301 11.9301 12.2894 12.2894 12.4038 12.4038 12.9934 12.9934 k = 0.0000 1.0730 0.2715 ( 3241 PWs) bands (ev): -45.7478 -45.7478 -45.7441 -45.7441 -22.5330 -22.5330 -22.5195 -22.5195 -21.9017 -21.9017 -21.8852 -21.8852 -21.8525 -21.8525 -21.8430 -21.8430 7.1442 7.1442 7.2461 7.2461 7.5917 7.5917 7.7975 7.7975 8.0015 8.0015 8.2743 8.2743 8.4973 8.4973 8.7966 8.7966 9.0297 9.0297 9.9109 9.9109 10.7370 10.7370 10.9177 10.9177 11.3566 11.3566 11.6715 11.6715 11.9400 11.9400 12.3478 12.3478 12.4297 12.4297 13.0490 13.0490 k = 0.0000 1.0741 0.2898 ( 3241 PWs) bands (ev): -45.7478 -45.7478 -45.7441 -45.7441 -22.5327 -22.5327 -22.5194 -22.5194 -21.9015 -21.9015 -21.8851 -21.8851 -21.8521 -21.8521 -21.8429 -21.8429 7.1164 7.1164 7.2129 7.2129 7.5876 7.5876 7.7662 7.7662 7.9719 7.9719 8.2643 8.2643 8.4803 8.4803 8.7774 8.7774 9.0306 9.0306 9.8962 9.8962 10.8034 10.8034 10.9749 10.9749 11.3983 11.3983 11.7294 11.7294 11.9491 11.9491 12.3994 12.3994 12.4566 12.4566 13.1082 13.1082 k = 0.0000 1.0751 0.3082 ( 3245 PWs) bands (ev): -45.7478 -45.7478 -45.7441 -45.7441 -22.5324 -22.5324 -22.5193 -22.5193 -21.9013 -21.9013 -21.8850 -21.8850 -21.8518 -21.8518 -21.8428 -21.8428 7.0895 7.0895 7.1810 7.1810 7.5834 7.5834 7.7361 7.7361 7.9427 7.9427 8.2545 8.2545 8.4634 8.4634 8.7593 8.7593 9.0325 9.0325 9.8818 9.8818 10.8693 10.8693 11.0316 11.0316 11.4374 11.4374 11.7872 11.7872 11.9570 11.9570 12.4425 12.4425 12.4851 12.4851 13.1565 13.1565 k = 0.0000 1.0761 0.3266 ( 3245 PWs) bands (ev): -45.7478 -45.7478 -45.7442 -45.7442 -22.5322 -22.5322 -22.5192 -22.5192 -21.9010 -21.9010 -21.8849 -21.8849 -21.8514 -21.8514 -21.8428 -21.8428 7.0638 7.0638 7.1504 7.1504 7.5789 7.5789 7.7076 7.7076 7.9140 7.9140 8.2450 8.2450 8.4466 8.4466 8.7423 8.7423 9.0353 9.0353 9.8679 9.8679 10.9343 10.9343 11.0876 11.0876 11.4736 11.4736 11.8445 11.8445 11.9638 11.9638 12.4767 12.4767 12.5146 12.5146 13.1615 13.1615 k = 0.0000 1.0771 0.3449 ( 3241 PWs) bands (ev): -45.7479 -45.7479 -45.7442 -45.7442 -22.5319 -22.5319 -22.5191 -22.5191 -21.9007 -21.9007 -21.8848 -21.8848 -21.8511 -21.8511 -21.8427 -21.8427 7.0395 7.0395 7.1214 7.1214 7.5740 7.5740 7.6811 7.6811 7.8862 7.8862 8.2359 8.2359 8.4302 8.4302 8.7266 8.7266 9.0387 9.0387 9.8543 9.8543 10.9981 10.9981 11.1426 11.1426 11.5064 11.5064 11.9007 11.9007 11.9695 11.9695 12.5040 12.5040 12.5428 12.5428 13.1653 13.1653 k = 0.0000 1.0782 0.3633 ( 3237 PWs) bands (ev): -45.7479 -45.7479 -45.7442 -45.7442 -22.5316 -22.5316 -22.5190 -22.5190 -21.9005 -21.9005 -21.8846 -21.8846 -21.8507 -21.8507 -21.8426 -21.8426 7.0166 7.0166 7.0940 7.0940 7.5682 7.5682 7.6572 7.6572 7.8595 7.8595 8.2272 8.2272 8.4142 8.4142 8.7120 8.7120 9.0427 9.0427 9.8413 9.8413 11.0605 11.0605 11.1964 11.1964 11.5358 11.5358 11.9536 11.9536 11.9757 11.9757 12.5262 12.5262 12.5676 12.5676 13.1686 13.1686 k = 0.0000 1.0792 0.3816 ( 3239 PWs) bands (ev): -45.7479 -45.7479 -45.7443 -45.7443 -22.5313 -22.5313 -22.5190 -22.5190 -21.9003 -21.9003 -21.8846 -21.8846 -21.8504 -21.8504 -21.8425 -21.8425 6.9952 6.9952 7.0684 7.0684 7.5611 7.5611 7.6364 7.6364 7.8341 7.8341 8.2191 8.2191 8.3988 8.3988 8.6986 8.6986 9.0470 9.0470 9.8288 9.8288 11.1211 11.1211 11.2488 11.2488 11.5613 11.5613 11.9727 11.9727 12.0128 12.0128 12.5437 12.5437 12.5889 12.5889 13.1714 13.1714 k = 0.0000 1.0802 0.4000 ( 3239 PWs) bands (ev): -45.7479 -45.7479 -45.7443 -45.7443 -22.5311 -22.5311 -22.5189 -22.5189 -21.9000 -21.9000 -21.8845 -21.8845 -21.8501 -21.8501 -21.8425 -21.8425 6.9755 6.9755 7.0445 7.0445 7.5520 7.5520 7.6195 7.6195 7.8103 7.8103 8.2117 8.2117 8.3840 8.3840 8.6864 8.6864 9.0516 9.0516 9.8169 9.8169 11.1796 11.1796 11.2994 11.2994 11.5828 11.5828 11.9742 11.9742 12.0641 12.0641 12.5557 12.5557 12.6078 12.6078 13.1737 13.1737 k = 0.0000 1.0813 0.4184 ( 3244 PWs) bands (ev): -45.7479 -45.7479 -45.7443 -45.7443 -22.5309 -22.5309 -22.5188 -22.5188 -21.8998 -21.8998 -21.8844 -21.8844 -21.8498 -21.8498 -21.8424 -21.8424 6.9575 6.9575 7.0226 7.0226 7.5409 7.5409 7.6068 7.6068 7.7881 7.7881 8.2049 8.2049 8.3702 8.3702 8.6754 8.6754 9.0563 9.0563 9.8058 9.8058 11.2359 11.2359 11.3480 11.3480 11.6002 11.6002 11.9733 11.9733 12.1142 12.1142 12.5617 12.5617 12.6255 12.6255 13.1757 13.1757 k = 0.0000 1.0823 0.4367 ( 3242 PWs) bands (ev): -45.7479 -45.7479 -45.7444 -45.7444 -22.5306 -22.5306 -22.5188 -22.5188 -21.8996 -21.8996 -21.8843 -21.8843 -21.8495 -21.8495 -21.8424 -21.8424 6.9413 6.9413 7.0027 7.0027 7.5281 7.5281 7.5979 7.5979 7.7678 7.7678 8.1989 8.1989 8.3572 8.3572 8.6656 8.6656 9.0609 9.0609 9.7954 9.7954 11.2898 11.2898 11.3941 11.3941 11.6132 11.6132 11.9706 11.9706 12.1622 12.1622 12.5617 12.5617 12.6425 12.6425 13.1772 13.1772 k = 0.0000 1.0833 0.4551 ( 3239 PWs) bands (ev): -45.7479 -45.7479 -45.7444 -45.7444 -22.5304 -22.5304 -22.5187 -22.5187 -21.8994 -21.8994 -21.8842 -21.8842 -21.8492 -21.8492 -21.8424 -21.8424 6.9269 6.9269 6.9848 6.9848 7.5150 7.5150 7.5917 7.5917 7.7495 7.7495 8.1937 8.1937 8.3453 8.3453 8.6569 8.6569 9.0654 9.0654 9.7859 9.7859 11.3410 11.3410 11.4376 11.4376 11.6219 11.6219 11.9663 11.9663 12.2078 12.2078 12.5567 12.5567 12.6585 12.6585 13.1784 13.1784 k = 0.0000 1.0844 0.4735 ( 3237 PWs) bands (ev): -45.7479 -45.7479 -45.7444 -45.7444 -22.5302 -22.5302 -22.5187 -22.5187 -21.8993 -21.8993 -21.8841 -21.8841 -21.8490 -21.8490 -21.8424 -21.8424 6.9143 6.9143 6.9691 6.9691 7.5023 7.5023 7.5873 7.5873 7.7333 7.7333 8.1893 8.1893 8.3346 8.3346 8.6494 8.6494 9.0694 9.0694 9.7774 9.7774 11.3893 11.3893 11.4777 11.4777 11.6261 11.6261 11.9607 11.9607 12.2506 12.2506 12.5475 12.5475 12.6733 12.6733 13.1792 13.1792 k = 0.0000 1.0854 0.4918 ( 3239 PWs) bands (ev): -45.7479 -45.7479 -45.7444 -45.7444 -22.5300 -22.5300 -22.5186 -22.5186 -21.8991 -21.8991 -21.8841 -21.8841 -21.8487 -21.8487 -21.8423 -21.8423 6.9037 6.9037 6.9556 6.9556 7.4909 7.4909 7.5842 7.5842 7.7193 7.7193 8.1857 8.1857 8.3251 8.3251 8.6430 8.6430 9.0730 9.0730 9.7699 9.7699 11.4346 11.4346 11.5141 11.5141 11.6259 11.6259 11.9541 11.9541 12.2900 12.2900 12.5353 12.5353 12.6865 12.6865 13.1798 13.1798 k = 0.0000 1.0864 0.5102 ( 3231 PWs) bands (ev): -45.7479 -45.7479 -45.7445 -45.7445 -22.5299 -22.5299 -22.5185 -22.5185 -21.8990 -21.8990 -21.8840 -21.8840 -21.8485 -21.8485 -21.8423 -21.8423 6.8949 6.8949 6.9443 6.9443 7.4810 7.4810 7.5819 7.5819 7.7075 7.7075 8.1829 8.1829 8.3170 8.3170 8.6377 8.6377 9.0760 9.0760 9.7636 9.7636 11.4766 11.4766 11.5459 11.5459 11.6215 11.6215 11.9471 11.9471 12.3249 12.3249 12.5214 12.5214 12.6979 12.6979 13.1802 13.1802 k = 0.0000 1.0874 0.5286 ( 3231 PWs) bands (ev): -45.7479 -45.7479 -45.7445 -45.7445 -22.5298 -22.5298 -22.5185 -22.5185 -21.8989 -21.8989 -21.8839 -21.8839 -21.8484 -21.8484 -21.8422 -21.8422 6.8880 6.8880 6.9354 6.9354 7.4730 7.4730 7.5803 7.5803 7.6982 7.6982 8.1811 8.1811 8.3103 8.3103 8.6335 8.6335 9.0783 9.0783 9.7586 9.7586 11.5151 11.5151 11.5720 11.5720 11.6131 11.6131 11.9403 11.9403 12.3532 12.3532 12.5086 12.5086 12.7074 12.7074 13.1804 13.1804 k = 0.5000 1.0215 0.6469 ( 3232 PWs) bands (ev): -45.7462 -45.7462 -45.7462 -45.7462 -22.5245 -22.5245 -22.5238 -22.5238 -21.8926 -21.8926 -21.8923 -21.8923 -21.8445 -21.8445 -21.8436 -21.8436 6.8447 6.8447 6.8593 6.8593 7.5464 7.5464 7.5556 7.5556 7.8261 7.8261 7.8455 7.8455 8.1356 8.1356 8.1472 8.1472 9.9019 9.9019 9.9035 9.9035 11.8654 11.8654 11.8714 11.8714 12.3497 12.3497 12.4065 12.4065 12.6585 12.6585 12.6643 12.6643 13.1075 13.1075 13.1706 13.1706 k = 0.5000 1.0029 0.6469 ( 3232 PWs) bands (ev): -45.7464 -45.7464 -45.7464 -45.7464 -22.5241 -22.5241 -22.5234 -22.5234 -21.8921 -21.8921 -21.8917 -21.8917 -21.8443 -21.8443 -21.8432 -21.8432 6.8484 6.8484 6.8646 6.8646 7.5492 7.5492 7.5588 7.5588 7.8294 7.8294 7.8502 7.8502 8.1355 8.1355 8.1464 8.1464 9.8987 9.8987 9.9011 9.9011 11.8405 11.8405 11.8504 11.8504 12.3278 12.3278 12.3878 12.3878 12.6381 12.6381 12.6439 12.6439 13.1444 13.1444 13.2037 13.2037 k = 0.5000 0.9844 0.6469 ( 3234 PWs) bands (ev): -45.7467 -45.7467 -45.7467 -45.7467 -22.5236 -22.5236 -22.5229 -22.5229 -21.8913 -21.8913 -21.8909 -21.8909 -21.8440 -21.8440 -21.8428 -21.8428 6.8540 6.8540 6.8718 6.8718 7.5531 7.5531 7.5632 7.5632 7.8342 7.8342 7.8564 7.8564 8.1352 8.1352 8.1456 8.1456 9.8940 9.8940 9.8972 9.8972 11.8041 11.8041 11.8168 11.8168 12.3055 12.3055 12.3675 12.3675 12.6168 12.6168 12.6222 12.6222 13.1769 13.1769 13.2300 13.2300 k = 0.5000 0.9658 0.6469 ( 3236 PWs) bands (ev): -45.7471 -45.7471 -45.7471 -45.7471 -22.5230 -22.5230 -22.5222 -22.5222 -21.8904 -21.8904 -21.8899 -21.8899 -21.8435 -21.8435 -21.8422 -21.8422 6.8616 6.8616 6.8809 6.8809 7.5581 7.5581 7.5687 7.5687 7.8405 7.8405 7.8642 7.8642 8.1350 8.1350 8.1447 8.1447 9.8876 9.8876 9.8917 9.8917 11.7561 11.7561 11.7707 11.7707 12.2836 12.2836 12.3463 12.3463 12.5952 12.5952 12.5999 12.5999 13.2035 13.2035 13.2487 13.2487 k = 0.5000 0.9472 0.6469 ( 3232 PWs) bands (ev): -45.7476 -45.7476 -45.7476 -45.7476 -22.5221 -22.5221 -22.5213 -22.5213 -21.8893 -21.8893 -21.8887 -21.8887 -21.8428 -21.8428 -21.8413 -21.8413 6.8710 6.8710 6.8919 6.8919 7.5642 7.5642 7.5753 7.5753 7.8483 7.8483 7.8734 7.8734 8.1347 8.1347 8.1438 8.1438 9.8795 9.8795 9.8844 9.8844 11.6975 11.6975 11.7130 11.7130 12.2620 12.2620 12.3245 12.3245 12.5741 12.5741 12.5779 12.5779 13.2239 13.2239 13.2603 13.2603 k = 0.5000 0.9287 0.6469 ( 3226 PWs) bands (ev): -45.7482 -45.7482 -45.7481 -45.7481 -22.5211 -22.5211 -22.5202 -22.5202 -21.8881 -21.8881 -21.8874 -21.8874 -21.8418 -21.8418 -21.8402 -21.8402 6.8823 6.8823 6.9049 6.9049 7.5714 7.5714 7.5830 7.5830 7.8576 7.8576 7.8840 7.8840 8.1345 8.1345 8.1430 8.1430 9.8696 9.8696 9.8752 9.8752 11.6292 11.6292 11.6452 11.6452 12.2398 12.2398 12.3013 12.3013 12.5539 12.5539 12.5570 12.5570 13.2381 13.2381 13.2656 13.2656 k = 0.5000 0.9101 0.6469 ( 3226 PWs) bands (ev): -45.7488 -45.7488 -45.7488 -45.7488 -22.5200 -22.5200 -22.5191 -22.5191 -21.8869 -21.8869 -21.8861 -21.8861 -21.8406 -21.8406 -21.8388 -21.8388 6.8955 6.8955 6.9197 6.9197 7.5795 7.5795 7.5917 7.5917 7.8682 7.8682 7.8959 7.8959 8.1345 8.1345 8.1422 8.1422 9.8576 9.8576 9.8639 9.8639 11.5528 11.5528 11.5689 11.5689 12.2156 12.2156 12.2755 12.2755 12.5356 12.5356 12.5381 12.5381 13.2461 13.2461 13.2649 13.2649 k = 0.5000 0.8915 0.6469 ( 3224 PWs) bands (ev): -45.7495 -45.7495 -45.7495 -45.7495 -22.5188 -22.5188 -22.5178 -22.5178 -21.8857 -21.8857 -21.8848 -21.8848 -21.8389 -21.8389 -21.8369 -21.8369 6.9106 6.9106 6.9364 6.9364 7.5886 7.5886 7.6013 7.6013 7.8801 7.8801 7.9091 7.9091 8.1346 8.1346 8.1416 8.1416 9.8434 9.8434 9.8503 9.8503 11.4699 11.4699 11.4862 11.4862 12.1878 12.1878 12.2456 12.2456 12.5197 12.5197 12.5221 12.5221 13.2465 13.2465 13.2573 13.2573 k = 0.5000 0.8729 0.6469 ( 3226 PWs) bands (ev): -45.7503 -45.7503 -45.7503 -45.7503 -22.5174 -22.5174 -22.5164 -22.5164 -21.8846 -21.8846 -21.8836 -21.8836 -21.8367 -21.8367 -21.8347 -21.8347 6.9274 6.9274 6.9549 6.9549 7.5986 7.5986 7.6119 7.6119 7.8932 7.8932 7.9233 7.9233 8.1351 8.1351 8.1412 8.1412 9.8266 9.8266 9.8341 9.8341 11.3822 11.3822 11.3986 11.3986 12.1552 12.1552 12.2105 12.2105 12.5069 12.5069 12.5096 12.5096 13.2350 13.2350 13.2404 13.2404 k = 0.5000 0.8544 0.6469 ( 3224 PWs) bands (ev): -45.7512 -45.7512 -45.7512 -45.7512 -22.5160 -22.5160 -22.5150 -22.5150 -21.8836 -21.8836 -21.8826 -21.8826 -21.8340 -21.8340 -21.8319 -21.8319 6.9461 6.9461 6.9753 6.9753 7.6094 7.6094 7.6234 7.6234 7.9073 7.9073 7.9384 7.9384 8.1362 8.1362 8.1412 8.1412 9.8071 9.8071 9.8149 9.8149 11.2910 11.2910 11.3080 11.3080 12.1168 12.1168 12.1694 12.1694 12.4975 12.4975 12.5006 12.5006 13.2073 13.2073 13.2121 13.2121 k = 0.5000 0.8358 0.6469 ( 3230 PWs) bands (ev): -45.7522 -45.7522 -45.7522 -45.7522 -22.5145 -22.5145 -22.5134 -22.5134 -21.8829 -21.8829 -21.8818 -21.8818 -21.8308 -21.8308 -21.8286 -21.8286 6.9665 6.9665 6.9974 6.9974 7.6210 7.6210 7.6357 7.6357 7.9223 7.9223 7.9541 7.9541 8.1381 8.1381 8.1418 8.1418 9.7843 9.7843 9.7925 9.7925 11.1980 11.1980 11.2157 11.2157 12.0722 12.0722 12.1220 12.1220 12.4912 12.4912 12.4950 12.4950 13.1665 13.1665 13.1730 13.1730 k = 0.5000 0.8172 0.6469 ( 3234 PWs) bands (ev): -45.7533 -45.7533 -45.7532 -45.7532 -22.5129 -22.5129 -22.5118 -22.5118 -21.8824 -21.8824 -21.8812 -21.8812 -21.8269 -21.8269 -21.8247 -21.8247 6.9886 6.9886 7.0213 7.0213 7.6333 7.6333 7.6487 7.6487 7.9379 7.9379 7.9701 7.9701 8.1412 8.1412 8.1431 8.1431 9.7579 9.7579 9.7664 9.7664 11.1044 11.1044 11.1231 11.1231 12.0214 12.0214 12.0687 12.0687 12.4874 12.4874 12.4919 12.4919 13.1184 13.1184 13.1262 13.1262 k = 0.5000 0.7986 0.6469 ( 3232 PWs) bands (ev): -45.7544 -45.7544 -45.7543 -45.7543 -22.5112 -22.5112 -22.5101 -22.5101 -21.8821 -21.8821 -21.8809 -21.8809 -21.8224 -21.8224 -21.8201 -21.8201 7.0124 7.0124 7.0470 7.0470 7.6462 7.6462 7.6624 7.6624 7.9538 7.9538 7.9859 7.9859 8.1456 8.1456 8.1460 8.1460 9.7275 9.7275 9.7359 9.7359 11.0116 11.0116 11.0317 11.0317 11.9649 11.9649 12.0097 12.0097 12.4854 12.4854 12.4905 12.4905 13.0671 13.0671 13.0750 13.0750 k = 0.5000 0.7801 0.6469 ( 3228 PWs) bands (ev): -45.7555 -45.7555 -45.7555 -45.7555 -22.5095 -22.5095 -22.5084 -22.5084 -21.8820 -21.8820 -21.8809 -21.8809 -21.8173 -21.8173 -21.8150 -21.8150 7.0379 7.0379 7.0744 7.0744 7.6596 7.6596 7.6766 7.6766 7.9697 7.9697 8.0010 8.0010 8.1495 8.1495 8.1530 8.1530 9.6924 9.6924 9.7008 9.7008 10.9209 10.9209 10.9427 10.9427 11.9029 11.9029 11.9455 11.9455 12.4840 12.4840 12.4895 12.4895 13.0154 13.0154 13.0225 13.0225 k = 0.5000 0.7615 0.6469 ( 3236 PWs) bands (ev): -45.7568 -45.7568 -45.7568 -45.7568 -22.5078 -22.5078 -22.5067 -22.5067 -21.8821 -21.8821 -21.8811 -21.8811 -21.8116 -21.8116 -21.8093 -21.8093 7.0649 7.0649 7.1034 7.1034 7.6734 7.6734 7.6912 7.6912 7.9849 7.9849 8.0147 8.0147 8.1554 8.1554 8.1628 8.1628 9.6521 9.6521 9.6603 9.6603 10.8334 10.8334 10.8572 10.8572 11.8360 11.8360 11.8767 11.8767 12.4820 12.4820 12.4877 12.4877 12.9654 12.9654 12.9711 12.9711 k = 0.5000 0.7429 0.6469 ( 3234 PWs) bands (ev): -45.7581 -45.7581 -45.7580 -45.7580 -22.5061 -22.5061 -22.5049 -22.5049 -21.8825 -21.8825 -21.8815 -21.8815 -21.8054 -21.8054 -21.8031 -21.8031 7.0935 7.0935 7.1340 7.1340 7.6874 7.6874 7.7060 7.7060 7.9991 7.9991 8.0266 8.0266 8.1639 8.1639 8.1760 8.1760 9.6062 9.6062 9.6142 9.6142 10.7502 10.7502 10.7763 10.7763 11.7648 11.7648 11.8038 11.8038 12.4776 12.4776 12.4833 12.4833 12.9193 12.9193 12.9233 12.9233 k = 0.5000 0.7244 0.6469 ( 3236 PWs) bands (ev): -45.7594 -45.7594 -45.7594 -45.7594 -22.5043 -22.5043 -22.5032 -22.5032 -21.8830 -21.8830 -21.8821 -21.8821 -21.7986 -21.7986 -21.7964 -21.7964 7.1235 7.1235 7.1662 7.1662 7.7015 7.7015 7.7209 7.7209 8.0116 8.0116 8.0365 8.0365 8.1753 8.1753 8.1928 8.1928 9.5544 9.5544 9.5620 9.5620 10.6722 10.6722 10.7008 10.7008 11.6898 11.6898 11.7274 11.7274 12.4688 12.4688 12.4745 12.4745 12.8794 12.8794 12.8815 12.8815 k = 0.5000 0.7058 0.6469 ( 3234 PWs) bands (ev): -45.7608 -45.7608 -45.7608 -45.7608 -22.5026 -22.5026 -22.5014 -22.5014 -21.8837 -21.8837 -21.8828 -21.8828 -21.7913 -21.7913 -21.7891 -21.7891 7.1549 7.1549 7.1999 7.1999 7.7155 7.7155 7.7356 7.7356 8.0223 8.0223 8.0446 8.0446 8.1900 8.1900 8.2130 8.2130 9.4966 9.4966 9.5038 9.5038 10.6000 10.6000 10.6313 10.6313 11.6116 11.6116 11.6480 11.6480 12.4537 12.4537 12.4592 12.4592 12.8478 12.8478 12.8479 12.8479 k = 0.5000 0.6872 0.6469 ( 3228 PWs) bands (ev): -45.7623 -45.7623 -45.7622 -45.7622 -22.5009 -22.5009 -22.4997 -22.4997 -21.8845 -21.8845 -21.8837 -21.8837 -21.7835 -21.7835 -21.7814 -21.7814 7.1876 7.1876 7.2350 7.2350 7.7292 7.7292 7.7500 7.7500 8.0312 8.0312 8.0514 8.0514 8.2080 8.2080 8.2364 8.2364 9.4327 9.4327 9.4397 9.4397 10.5339 10.5339 10.5680 10.5680 11.5308 11.5308 11.5663 11.5663 12.4305 12.4305 12.4360 12.4360 12.8243 12.8243 12.8260 12.8260 k = 0.5000 0.6686 0.6469 ( 3226 PWs) bands (ev): -45.7638 -45.7638 -45.7637 -45.7637 -22.4992 -22.4992 -22.4980 -22.4980 -21.8855 -21.8855 -21.8847 -21.8847 -21.7753 -21.7753 -21.7733 -21.7733 7.2215 7.2215 7.2714 7.2714 7.7425 7.7425 7.7638 7.7638 8.0384 8.0384 8.0574 8.0574 8.2289 8.2289 8.2623 8.2623 9.3634 9.3634 9.3703 9.3703 10.4740 10.4740 10.5111 10.5111 11.4479 11.4479 11.4827 11.4827 12.3989 12.3989 12.4046 12.4046 12.8111 12.8111 12.8142 12.8142 k = 0.5000 0.6501 0.6469 ( 3232 PWs) bands (ev): -45.7653 -45.7653 -45.7653 -45.7653 -22.4975 -22.4975 -22.4964 -22.4964 -21.8866 -21.8866 -21.8858 -21.8858 -21.7668 -21.7668 -21.7648 -21.7648 7.2565 7.2565 7.3090 7.3090 7.7551 7.7551 7.7766 7.7766 8.0445 8.0445 8.0632 8.0632 8.2522 8.2522 8.2904 8.2904 9.2892 9.2892 9.2963 9.2963 10.4200 10.4200 10.4600 10.4600 11.3636 11.3636 11.3978 11.3978 12.3598 12.3598 12.3661 12.3661 12.8073 12.8073 12.8115 12.8115 k = 0.5000 0.6315 0.6469 ( 3230 PWs) bands (ev): -45.7669 -45.7669 -45.7668 -45.7668 -22.4959 -22.4959 -22.4948 -22.4948 -21.8877 -21.8877 -21.8870 -21.8870 -21.7579 -21.7579 -21.7559 -21.7559 7.2924 7.2924 7.3478 7.3478 7.7667 7.7667 7.7882 7.7882 8.0498 8.0498 8.0693 8.0693 8.2775 8.2775 8.3202 8.3202 9.2111 9.2111 9.2189 9.2189 10.3714 10.3714 10.4144 10.4144 11.2784 11.2784 11.3124 11.3124 12.3148 12.3148 12.3219 12.3219 12.8111 12.8111 12.8160 12.8160 k = 0.5000 0.6129 0.6469 ( 3232 PWs) bands (ev): -45.7684 -45.7684 -45.7684 -45.7684 -22.4944 -22.4944 -22.4932 -22.4932 -21.8890 -21.8890 -21.8883 -21.8883 -21.7486 -21.7486 -21.7467 -21.7467 7.3292 7.3292 7.3876 7.3876 7.7772 7.7772 7.7984 7.7984 8.0548 8.0548 8.0759 8.0759 8.3042 8.3042 8.3512 8.3512 9.1302 9.1302 9.1393 9.1393 10.3276 10.3276 10.3735 10.3735 11.1928 11.1928 11.2268 11.2268 12.2657 12.2657 12.2737 12.2737 12.8206 12.8206 12.8259 12.8259 k = 0.5000 0.5943 0.6469 ( 3232 PWs) bands (ev): -45.7701 -45.7701 -45.7700 -45.7700 -22.4929 -22.4929 -22.4918 -22.4918 -21.8903 -21.8903 -21.8897 -21.8897 -21.7391 -21.7391 -21.7372 -21.7372 7.3666 7.3666 7.4282 7.4282 7.7864 7.7864 7.8067 7.8067 8.0595 8.0595 8.0834 8.0834 8.3314 8.3314 8.3832 8.3832 9.0478 9.0478 9.0590 9.0590 10.2878 10.2878 10.3367 10.3367 11.1076 11.1076 11.1418 11.1418 12.2137 12.2137 12.2227 12.2227 12.8344 12.8344 12.8398 12.8398 k = 0.5000 0.5758 0.6469 ( 3230 PWs) bands (ev): -45.7717 -45.7717 -45.7716 -45.7716 -22.4915 -22.4915 -22.4904 -22.4904 -21.8916 -21.8916 -21.8911 -21.8911 -21.7293 -21.7293 -21.7275 -21.7275 7.4044 7.4044 7.4694 7.4694 7.7942 7.7942 7.8131 7.8131 8.0640 8.0640 8.0918 8.0918 8.3585 8.3585 8.4156 8.4156 8.9654 8.9654 8.9798 8.9798 10.2514 10.2514 10.3031 10.3031 11.0233 11.0233 11.0578 11.0578 12.1598 12.1598 12.1700 12.1700 12.8509 12.8509 12.8561 12.8561 k = 0.5000 0.5572 0.6469 ( 3230 PWs) bands (ev): -45.7733 -45.7733 -45.7733 -45.7733 -22.4902 -22.4902 -22.4891 -22.4891 -21.8931 -21.8931 -21.8925 -21.8925 -21.7193 -21.7193 -21.7176 -21.7176 7.4424 7.4424 7.5108 7.5108 7.8006 7.8006 7.8173 7.8173 8.0682 8.0682 8.1011 8.1011 8.3841 8.3841 8.4475 8.4475 8.8848 8.8848 8.9039 8.9039 10.2177 10.2177 10.2721 10.2721 10.9406 10.9406 10.9755 10.9755 12.1049 12.1049 12.1161 12.1161 12.8690 12.8690 12.8738 12.8738 k = 0.5000 0.5386 0.6469 ( 3236 PWs) bands (ev): -45.7750 -45.7750 -45.7749 -45.7749 -22.4890 -22.4890 -22.4879 -22.4879 -21.8945 -21.8945 -21.8940 -21.8940 -21.7091 -21.7091 -21.7074 -21.7074 7.4802 7.4802 7.5522 7.5522 7.8057 7.8057 7.8192 7.8192 8.0714 8.0714 8.1110 8.1110 8.4065 8.4065 8.4776 8.4776 8.8086 8.8086 8.8345 8.8345 10.1859 10.1859 10.2429 10.2429 10.8600 10.8600 10.8954 10.8954 12.0492 12.0492 12.0616 12.0616 12.8874 12.8874 12.8914 12.8914 k = 0.5000 0.5200 0.6469 ( 3238 PWs) bands (ev): -45.7766 -45.7766 -45.7766 -45.7766 -22.4878 -22.4878 -22.4867 -22.4867 -21.8960 -21.8960 -21.8956 -21.8956 -21.6988 -21.6988 -21.6972 -21.6972 7.5174 7.5174 7.5926 7.5926 7.8100 7.8100 7.8189 7.8189 8.0730 8.0730 8.1209 8.1209 8.4225 8.4225 8.5024 8.5024 8.7417 8.7417 8.7760 8.7760 10.1555 10.1555 10.2148 10.2148 10.7822 10.7822 10.8180 10.8180 11.9933 11.9933 12.0067 12.0067 12.9043 12.9043 12.9070 12.9070 k = 0.5000 0.5015 0.6469 ( 3234 PWs) bands (ev): -45.7783 -45.7783 -45.7782 -45.7782 -22.4867 -22.4867 -22.4856 -22.4856 -21.8975 -21.8975 -21.8971 -21.8971 -21.6884 -21.6884 -21.6868 -21.6868 7.5535 7.5535 7.6309 7.6309 7.8143 7.8143 7.8163 7.8163 8.0716 8.0716 8.1302 8.1302 8.4282 8.4282 8.5133 8.5133 8.6941 8.6941 8.7344 8.7344 10.1259 10.1259 10.1871 10.1871 10.7080 10.7080 10.7441 10.7441 11.9372 11.9372 11.9517 11.9517 12.9169 12.9169 12.9174 12.9174 k = 0.5000 0.4829 0.6469 ( 3228 PWs) bands (ev): -45.7799 -45.7799 -45.7799 -45.7799 -22.4856 -22.4856 -22.4846 -22.4846 -21.8990 -21.8990 -21.8986 -21.8986 -21.6778 -21.6778 -21.6763 -21.6763 7.5877 7.5877 7.6646 7.6646 7.8113 7.8113 7.8206 7.8206 8.0657 8.0657 8.1377 8.1377 8.4212 8.4212 8.4988 8.4988 8.6793 8.6793 8.7143 8.7143 10.0967 10.0967 10.1591 10.1591 10.6383 10.6383 10.6741 10.6741 11.8813 11.8813 11.8967 11.8967 12.9184 12.9184 12.9209 12.9209 k = 0.5000 0.4643 0.6469 ( 3226 PWs) bands (ev): -45.7815 -45.7815 -45.7815 -45.7815 -22.4847 -22.4847 -22.4837 -22.4837 -21.9005 -21.9005 -21.9001 -21.9001 -21.6673 -21.6673 -21.6658 -21.6658 7.6185 7.6185 7.6900 7.6900 7.8042 7.8042 7.8320 7.8320 8.0536 8.0536 8.1423 8.1423 8.4048 8.4048 8.4658 8.4658 8.6931 8.6931 8.7147 8.7147 10.0674 10.0674 10.1301 10.1301 10.5737 10.5737 10.6087 10.6087 11.8256 11.8256 11.8420 11.8420 12.9064 12.9064 12.9120 12.9120 k = 0.5000 0.4458 0.6469 ( 3232 PWs) bands (ev): -45.7831 -45.7831 -45.7831 -45.7831 -22.4838 -22.4838 -22.4829 -22.4829 -21.9020 -21.9020 -21.9016 -21.9016 -21.6568 -21.6568 -21.6554 -21.6554 7.6440 7.6440 7.7027 7.7027 7.7953 7.7953 7.8514 7.8514 8.0348 8.0348 8.1429 8.1429 8.3868 8.3868 8.4319 8.4319 8.7202 8.7202 8.7299 8.7299 10.0377 10.0377 10.0995 10.0995 10.5150 10.5150 10.5481 10.5481 11.7702 11.7702 11.7876 11.7876 12.8816 12.8816 12.8893 12.8893 k = 0.5000 0.4272 0.6469 ( 3228 PWs) bands (ev): -45.7847 -45.7847 -45.7847 -45.7847 -22.4830 -22.4830 -22.4821 -22.4821 -21.9034 -21.9034 -21.9031 -21.9031 -21.6463 -21.6463 -21.6449 -21.6449 7.6606 7.6606 7.7018 7.7018 7.7867 7.7867 7.8774 7.8774 8.0114 8.0114 8.1396 8.1396 8.3732 8.3732 8.4069 8.4069 8.7525 8.7525 8.7539 8.7539 10.0076 10.0076 10.0669 10.0669 10.4629 10.4629 10.4929 10.4929 11.7153 11.7153 11.7336 11.7336 12.8468 12.8468 12.8558 12.8558 k = 0.5000 0.4086 0.6469 ( 3226 PWs) bands (ev): -45.7863 -45.7863 -45.7863 -45.7863 -22.4823 -22.4823 -22.4814 -22.4814 -21.9049 -21.9049 -21.9046 -21.9046 -21.6359 -21.6359 -21.6346 -21.6346 7.6629 7.6629 7.6887 7.6887 7.7817 7.7817 7.9019 7.9019 7.9915 7.9915 8.1345 8.1345 8.3662 8.3662 8.3932 8.3932 8.7829 8.7829 8.7869 8.7869 9.9771 9.9771 10.0323 10.0323 10.4175 10.4175 10.4432 10.4432 11.6610 11.6610 11.6801 11.6801 12.8054 12.8054 12.8151 12.8151 k = 0.5000 0.3900 0.6469 ( 3230 PWs) bands (ev): -45.7878 -45.7878 -45.7878 -45.7878 -22.4817 -22.4817 -22.4808 -22.4808 -21.9064 -21.9064 -21.9061 -21.9061 -21.6256 -21.6256 -21.6244 -21.6244 7.6478 7.6478 7.6649 7.6649 7.7825 7.7825 7.9075 7.9075 7.9935 7.9935 8.1314 8.1314 8.3654 8.3654 8.3895 8.3895 8.8146 8.8146 8.8220 8.8220 9.9464 9.9464 9.9961 9.9961 10.3787 10.3787 10.3988 10.3988 11.6073 11.6073 11.6273 11.6273 12.7595 12.7595 12.7698 12.7698 k = 0.5000 0.3715 0.6469 ( 3226 PWs) bands (ev): -45.7893 -45.7893 -45.7893 -45.7893 -22.4811 -22.4811 -22.4802 -22.4802 -21.9078 -21.9078 -21.9075 -21.9075 -21.6155 -21.6155 -21.6143 -21.6143 7.6180 7.6180 7.6317 7.6317 7.7863 7.7863 7.8923 7.8923 8.0205 8.0205 8.1335 8.1335 8.3692 8.3692 8.3928 8.3928 8.8479 8.8479 8.8571 8.8571 9.9162 9.9162 9.9590 9.9590 10.3460 10.3460 10.3597 10.3597 11.5544 11.5544 11.5751 11.5751 12.7107 12.7107 12.7216 12.7216 k = 0.5000 0.3529 0.6469 ( 3230 PWs) bands (ev): -45.7908 -45.7908 -45.7907 -45.7907 -22.4806 -22.4806 -22.4798 -22.4798 -21.9092 -21.9092 -21.9089 -21.9089 -21.6056 -21.6056 -21.6045 -21.6045 7.5784 7.5784 7.5906 7.5906 7.7898 7.7898 7.8731 7.8731 8.0561 8.0561 8.1419 8.1419 8.3764 8.3764 8.4006 8.4006 8.8818 8.8818 8.8916 8.8916 9.8873 9.8873 9.9221 9.9221 10.3185 10.3185 10.3253 10.3253 11.5022 11.5022 11.5237 11.5237 12.6600 12.6600 12.6713 12.6713 k = 0.5000 0.3343 0.6469 ( 3228 PWs) bands (ev): -45.7922 -45.7922 -45.7921 -45.7921 -22.4801 -22.4801 -22.4793 -22.4793 -21.9105 -21.9105 -21.9103 -21.9103 -21.5960 -21.5960 -21.5949 -21.5949 7.5327 7.5327 7.5439 7.5439 7.7916 7.7916 7.8558 7.8558 8.0937 8.0937 8.1563 8.1563 8.3857 8.3857 8.4110 8.4110 8.9157 8.9157 8.9252 8.9252 9.8604 9.8604 9.8867 9.8867 10.2951 10.2951 10.2954 10.2954 11.4510 11.4510 11.4732 11.4732 12.6082 12.6082 12.6199 12.6199 k = 0.5000 0.3157 0.6469 ( 3228 PWs) bands (ev): -45.7935 -45.7935 -45.7935 -45.7935 -22.4797 -22.4797 -22.4790 -22.4790 -21.9118 -21.9118 -21.9116 -21.9116 -21.5866 -21.5866 -21.5856 -21.5856 7.4837 7.4837 7.4938 7.4938 7.7914 7.7914 7.8410 7.8410 8.1309 8.1309 8.1752 8.1752 8.3963 8.3963 8.4227 8.4227 8.9491 8.9491 8.9576 8.9576 9.8364 9.8364 9.8537 9.8537 10.2685 10.2685 10.2759 10.2759 11.4009 11.4009 11.4236 11.4236 12.5557 12.5557 12.5678 12.5678 k = 0.5000 0.2972 0.6469 ( 3226 PWs) bands (ev): -45.7948 -45.7948 -45.7948 -45.7948 -22.4793 -22.4793 -22.4786 -22.4786 -21.9130 -21.9130 -21.9129 -21.9129 -21.5776 -21.5776 -21.5766 -21.5766 7.4333 7.4333 7.4422 7.4422 7.7898 7.7898 7.8284 7.8284 8.1669 8.1669 8.1971 8.1971 8.4076 8.4076 8.4347 8.4347 8.9818 8.9818 8.9885 8.9885 9.8162 9.8162 9.8242 9.8242 10.2450 10.2450 10.2591 10.2591 11.3518 11.3518 11.3751 11.3751 12.5033 12.5033 12.5157 12.5157 k = 0.5000 0.2786 0.6469 ( 3228 PWs) bands (ev): -45.7961 -45.7961 -45.7960 -45.7960 -22.4790 -22.4790 -22.4784 -22.4784 -21.9142 -21.9142 -21.9141 -21.9141 -21.5689 -21.5689 -21.5680 -21.5680 7.3829 7.3829 7.3907 7.3907 7.7870 7.7870 7.8175 7.8175 8.2010 8.2010 8.2206 8.2206 8.4193 8.4193 8.4464 8.4464 9.0134 9.0134 9.0178 9.0178 9.7990 9.7990 9.8004 9.8004 10.2239 10.2239 10.2444 10.2444 11.3041 11.3041 11.3278 11.3278 12.4513 12.4513 12.4639 12.4639 k = 0.5000 0.2600 0.6469 ( 3224 PWs) bands (ev): -45.7972 -45.7972 -45.7972 -45.7972 -22.4787 -22.4787 -22.4781 -22.4781 -21.9154 -21.9154 -21.9152 -21.9152 -21.5605 -21.5605 -21.5597 -21.5597 7.3334 7.3334 7.3403 7.3403 7.7835 7.7835 7.8080 7.8080 8.2328 8.2328 8.2445 8.2445 8.4309 8.4309 8.4574 8.4574 9.0436 9.0436 9.0455 9.0455 9.7786 9.7786 9.7894 9.7894 10.2048 10.2048 10.2314 10.2314 11.2577 11.2577 11.2818 11.2818 12.4001 12.4001 12.4129 12.4129 k = 0.5000 0.2415 0.6469 ( 3220 PWs) bands (ev): -45.7983 -45.7983 -45.7983 -45.7983 -22.4785 -22.4785 -22.4779 -22.4779 -21.9164 -21.9164 -21.9163 -21.9163 -21.5526 -21.5526 -21.5518 -21.5518 7.2857 7.2857 7.2916 7.2916 7.7796 7.7796 7.7994 7.7994 8.2619 8.2619 8.2682 8.2682 8.4421 8.4421 8.4672 8.4672 9.0714 9.0714 9.0724 9.0724 9.7634 9.7634 9.7834 9.7834 10.1872 10.1872 10.2196 10.2196 11.2130 11.2130 11.2373 11.2373 12.3502 12.3502 12.3630 12.3630 k = 0.5000 0.2229 0.6469 ( 3220 PWs) bands (ev): -45.7994 -45.7994 -45.7994 -45.7994 -22.4783 -22.4783 -22.4778 -22.4778 -21.9174 -21.9174 -21.9173 -21.9173 -21.5452 -21.5452 -21.5445 -21.5445 7.2402 7.2402 7.2454 7.2454 7.7756 7.7756 7.7917 7.7917 8.2882 8.2882 8.2908 8.2908 8.4528 8.4528 8.4757 8.4757 9.0958 9.0958 9.0995 9.0995 9.7536 9.7536 9.7825 9.7825 10.1709 10.1709 10.2087 10.2087 11.1700 11.1700 11.1944 11.1944 12.3019 12.3019 12.3147 12.3147 k = 0.5000 0.2043 0.6469 ( 3224 PWs) bands (ev): -45.8004 -45.8004 -45.8004 -45.8004 -22.4781 -22.4781 -22.4777 -22.4777 -21.9184 -21.9184 -21.9183 -21.9183 -21.5382 -21.5382 -21.5376 -21.5376 7.1975 7.1975 7.2019 7.2019 7.7715 7.7715 7.7847 7.7847 8.3114 8.3114 8.3121 8.3121 8.4627 8.4627 8.4828 8.4828 9.1187 9.1187 9.1249 9.1249 9.7490 9.7490 9.7862 9.7862 10.1556 10.1556 10.1984 10.1984 11.1291 11.1291 11.1533 11.1533 12.2556 12.2556 12.2682 12.2682 k = 0.5000 0.1857 0.6469 ( 3218 PWs) bands (ev): -45.8013 -45.8013 -45.8012 -45.8012 -22.4780 -22.4780 -22.4775 -22.4775 -21.9193 -21.9193 -21.9192 -21.9192 -21.5317 -21.5317 -21.5311 -21.5311 7.1577 7.1577 7.1615 7.1615 7.7674 7.7674 7.7783 7.7783 8.3315 8.3315 8.3316 8.3316 8.4719 8.4719 8.4884 8.4884 9.1404 9.1404 9.1487 9.1487 9.7493 9.7493 9.7940 9.7940 10.1411 10.1411 10.1884 10.1884 11.0904 11.0904 11.1142 11.1142 12.2118 12.2118 12.2240 12.2240 k = 0.5000 0.1672 0.6469 ( 3212 PWs) bands (ev): -45.8021 -45.8021 -45.8021 -45.8021 -22.4778 -22.4778 -22.4774 -22.4774 -21.9201 -21.9201 -21.9200 -21.9200 -21.5258 -21.5258 -21.5252 -21.5252 7.1212 7.1212 7.1245 7.1245 7.7636 7.7636 7.7726 7.7726 8.3487 8.3487 8.3490 8.3490 8.4800 8.4800 8.4928 8.4928 9.1609 9.1609 9.1707 9.1707 9.7541 9.7541 9.8052 9.8052 10.1272 10.1272 10.1785 10.1785 11.0542 11.0542 11.0774 11.0774 12.1707 12.1707 12.1824 12.1824 k = 0.5000 0.1486 0.6469 ( 3212 PWs) bands (ev): -45.8028 -45.8028 -45.8028 -45.8028 -22.4777 -22.4777 -22.4774 -22.4774 -21.9208 -21.9208 -21.9207 -21.9207 -21.5204 -21.5204 -21.5199 -21.5199 7.0882 7.0882 7.0910 7.0910 7.7600 7.7600 7.7674 7.7674 8.3631 8.3631 8.3643 8.3643 8.4872 8.4872 8.4962 8.4962 9.1803 9.1803 9.1911 9.1911 9.7627 9.7627 9.8189 9.8189 10.1139 10.1139 10.1686 10.1686 11.0209 11.0209 11.0430 11.0430 12.1328 12.1328 12.1438 12.1438 k = 0.5000 0.1300 0.6469 ( 3214 PWs) bands (ev): -45.8035 -45.8035 -45.8035 -45.8035 -22.4776 -22.4776 -22.4773 -22.4773 -21.9214 -21.9214 -21.9214 -21.9214 -21.5156 -21.5156 -21.5152 -21.5152 7.0587 7.0587 7.0611 7.0611 7.7568 7.7568 7.7628 7.7628 8.3749 8.3749 8.3772 8.3772 8.4934 8.4934 8.4988 8.4988 9.1985 9.1985 9.2096 9.2096 9.7744 9.7744 9.8341 9.8341 10.1015 10.1015 10.1584 10.1584 10.9906 10.9906 11.0114 11.0114 12.0985 12.0985 12.1086 12.1086 k = 0.5000 0.1114 0.6469 ( 3210 PWs) bands (ev): -45.8041 -45.8041 -45.8041 -45.8041 -22.4776 -22.4776 -22.4773 -22.4773 -21.9220 -21.9220 -21.9219 -21.9219 -21.5114 -21.5114 -21.5110 -21.5110 7.0330 7.0330 7.0350 7.0350 7.7539 7.7539 7.7588 7.7588 8.3845 8.3845 8.3878 8.3878 8.4985 8.4985 8.5009 8.5009 9.2154 9.2154 9.2262 9.2262 9.7884 9.7884 9.8496 9.8496 10.0900 10.0900 10.1479 10.1479 10.9638 10.9638 10.9828 10.9828 12.0680 12.0680 12.0770 12.0770 k = 0.5000 0.0929 0.6469 ( 3206 PWs) bands (ev): -45.8046 -45.8046 -45.8045 -45.8045 -22.4775 -22.4775 -22.4773 -22.4773 -21.9225 -21.9225 -21.9224 -21.9224 -21.5078 -21.5078 -21.5075 -21.5075 7.0111 7.0111 7.0127 7.0127 7.7514 7.7514 7.7553 7.7553 8.3920 8.3920 8.3960 8.3960 8.5027 8.5027 8.5027 8.5027 9.2306 9.2306 9.2406 9.2406 9.8040 9.8040 9.8642 9.8642 10.0801 10.0801 10.1369 10.1369 10.9408 10.9408 10.9576 10.9576 12.0417 12.0417 12.0496 12.0496 k = 0.5000 0.0743 0.6469 ( 3210 PWs) bands (ev): -45.8050 -45.8050 -45.8049 -45.8049 -22.4775 -22.4775 -22.4773 -22.4773 -21.9229 -21.9229 -21.9228 -21.9228 -21.5048 -21.5048 -21.5046 -21.5046 6.9932 6.9932 6.9944 6.9944 7.7494 7.7494 7.7524 7.7524 8.3978 8.3978 8.4020 8.4020 8.5045 8.5045 8.5058 8.5058 9.2440 9.2440 9.2526 9.2526 9.8204 9.8204 9.8764 9.8764 10.0726 10.0726 10.1254 10.1254 10.9218 10.9218 10.9360 10.9360 12.0199 12.0199 12.0264 12.0264 k = 0.5000 0.0557 0.6469 ( 3222 PWs) bands (ev): -45.8053 -45.8053 -45.8053 -45.8053 -22.4775 -22.4775 -22.4773 -22.4773 -21.9232 -21.9232 -21.9232 -21.9232 -21.5026 -21.5026 -21.5024 -21.5024 6.9791 6.9791 6.9800 6.9800 7.7479 7.7479 7.7500 7.7500 8.4023 8.4023 8.4060 8.4060 8.5062 8.5062 8.5081 8.5081 9.2551 9.2551 9.2620 9.2620 9.8369 9.8369 9.8847 9.8847 10.0684 10.0684 10.1136 10.1136 10.9073 10.9073 10.9183 10.9183 12.0029 12.0029 12.0079 12.0079 k = 0.5000 0.0371 0.6469 ( 3220 PWs) bands (ev): -45.8055 -45.8055 -45.8055 -45.8055 -22.4774 -22.4774 -22.4773 -22.4773 -21.9234 -21.9234 -21.9234 -21.9234 -21.5009 -21.5009 -21.5008 -21.5008 6.9691 6.9691 6.9697 6.9697 7.7469 7.7469 7.7483 7.7483 8.4055 8.4055 8.4084 8.4084 8.5078 8.5078 8.5095 8.5095 9.2638 9.2638 9.2685 9.2685 9.8526 9.8526 9.8879 9.8879 10.0684 10.0684 10.1018 10.1018 10.8973 10.8973 10.9049 10.9049 11.9909 11.9909 11.9943 11.9943 k = 0.5000 0.0186 0.6469 ( 3218 PWs) bands (ev): -45.8056 -45.8056 -45.8056 -45.8056 -22.4774 -22.4774 -22.4773 -22.4773 -21.9235 -21.9235 -21.9235 -21.9235 -21.4999 -21.4999 -21.4998 -21.4998 6.9632 6.9632 6.9635 6.9635 7.7464 7.7464 7.7471 7.7471 8.4078 8.4078 8.4093 8.4093 8.5090 8.5090 8.5100 8.5100 9.2695 9.2695 9.2720 9.2720 9.8667 9.8667 9.8855 9.8855 10.0725 10.0725 10.0904 10.0904 10.8920 10.8920 10.8959 10.8959 11.9839 11.9839 11.9856 11.9856 k = 0.5000-0.0000 0.6469 ( 3220 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4774 -22.4774 -22.4774 -22.4774 -21.9236 -21.9236 -21.9236 -21.9236 -21.4995 -21.4995 -21.4995 -21.4995 6.9613 6.9613 6.9613 6.9613 7.7465 7.7465 7.7465 7.7465 8.4090 8.4090 8.4090 8.4090 8.5098 8.5098 8.5098 8.5098 9.2723 9.2723 9.2723 9.2723 9.8780 9.8780 9.8780 9.8780 10.0803 10.0803 10.0803 10.0803 10.8916 10.8916 10.8916 10.8916 11.9822 11.9822 11.9822 11.9822 k = 0.5000-0.0000 0.6469 ( 3220 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4774 -22.4774 -22.4774 -22.4774 -21.9236 -21.9236 -21.9236 -21.9236 -21.4995 -21.4995 -21.4995 -21.4995 6.9613 6.9613 6.9613 6.9613 7.7465 7.7465 7.7465 7.7465 8.4090 8.4090 8.4090 8.4090 8.5098 8.5098 8.5098 8.5098 9.2723 9.2723 9.2723 9.2723 9.8780 9.8780 9.8780 9.8780 10.0803 10.0803 10.0803 10.0803 10.8916 10.8916 10.8916 10.8916 11.9822 11.9822 11.9822 11.9822 k = 0.5000-0.0000 0.6284 ( 3214 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4773 -22.4773 -22.4773 -22.4773 -21.9235 -21.9235 -21.9235 -21.9235 -21.4995 -21.4995 -21.4995 -21.4995 6.9596 6.9596 6.9610 6.9610 7.7446 7.7446 7.7462 7.7462 8.3687 8.3687 8.3905 8.3905 8.5236 8.5236 8.5486 8.5486 9.2672 9.2672 9.2762 9.2762 9.8774 9.8774 9.8813 9.8813 10.0830 10.0830 10.0846 10.0846 10.8924 10.8924 10.8941 10.8941 11.9830 11.9830 11.9848 11.9848 k = 0.5000-0.0000 0.6099 ( 3212 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4773 -22.4773 -22.4772 -22.4772 -21.9235 -21.9235 -21.9235 -21.9235 -21.4995 -21.4995 -21.4994 -21.4994 6.9559 6.9559 6.9588 6.9588 7.7404 7.7404 7.7437 7.7437 8.3109 8.3109 8.3352 8.3352 8.5679 8.5679 8.5984 8.5984 9.2607 9.2607 9.2786 9.2786 9.8793 9.8793 9.8865 9.8865 10.0928 10.0928 10.0964 10.0964 10.8966 10.8966 10.8999 10.8999 11.9874 11.9874 11.9909 11.9909 k = 0.5000-0.0000 0.5914 ( 3220 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4773 -22.4773 -22.4772 -22.4772 -21.9235 -21.9235 -21.9234 -21.9234 -21.4995 -21.4995 -21.4994 -21.4994 6.9503 6.9503 6.9545 6.9545 7.7335 7.7335 7.7387 7.7387 8.2496 8.2496 8.2728 8.2728 8.6136 8.6136 8.6458 8.6458 9.2531 9.2531 9.2797 9.2797 9.8834 9.8834 9.8926 9.8926 10.1100 10.1100 10.1165 10.1165 10.9042 10.9042 10.9089 10.9089 11.9953 11.9953 12.0005 12.0005 k = 0.5000-0.0000 0.5729 ( 3222 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4773 -22.4773 -22.4771 -22.4771 -21.9234 -21.9234 -21.9233 -21.9233 -21.4995 -21.4995 -21.4994 -21.4994 6.9426 6.9426 6.9480 6.9480 7.7234 7.7234 7.7308 7.7308 8.1887 8.1887 8.2099 8.2099 8.6553 8.6553 8.6878 8.6878 9.2445 9.2445 9.2794 9.2794 9.8887 9.8887 9.8986 9.8986 10.1353 10.1353 10.1454 10.1454 10.9150 10.9150 10.9211 10.9211 12.0068 12.0068 12.0137 12.0137 k = 0.5000-0.0000 0.5544 ( 3222 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4772 -22.4772 -22.4770 -22.4770 -21.9233 -21.9233 -21.9232 -21.9232 -21.4995 -21.4995 -21.4993 -21.4993 6.9329 6.9329 6.9394 6.9394 7.7092 7.7092 7.7191 7.7191 8.1306 8.1306 8.1492 8.1492 8.6913 8.6913 8.7234 8.7234 9.2350 9.2350 9.2778 9.2778 9.8942 9.8942 9.9036 9.9036 10.1691 10.1691 10.1833 10.1833 10.9291 10.9291 10.9363 10.9363 12.0221 12.0221 12.0305 12.0305 k = 0.5000-0.0000 0.5360 ( 3218 PWs) bands (ev): -45.8058 -45.8058 -45.8058 -45.8058 -22.4771 -22.4771 -22.4769 -22.4769 -21.9231 -21.9231 -21.9230 -21.9230 -21.4995 -21.4995 -21.4992 -21.4992 6.9211 6.9211 6.9284 6.9284 7.6898 7.6898 7.7027 7.7027 8.0776 8.0776 8.0932 8.0932 8.7211 8.7211 8.7520 8.7520 9.2247 9.2247 9.2749 9.2749 9.8992 9.8992 9.9074 9.9074 10.2113 10.2113 10.2295 10.2295 10.9463 10.9463 10.9544 10.9544 12.0413 12.0413 12.0510 12.0510 k = 0.5000-0.0000 0.5175 ( 3218 PWs) bands (ev): -45.8058 -45.8058 -45.8058 -45.8058 -22.4769 -22.4769 -22.4767 -22.4767 -21.9229 -21.9229 -21.9228 -21.9228 -21.4995 -21.4995 -21.4992 -21.4992 6.9070 6.9070 6.9150 6.9150 7.6644 7.6644 7.6806 7.6806 8.0313 8.0313 8.0438 8.0438 8.7446 8.7446 8.7738 8.7738 9.2138 9.2138 9.2708 9.2708 9.9033 9.9033 9.9101 9.9101 10.2611 10.2611 10.2830 10.2830 10.9665 10.9665 10.9753 10.9753 12.0644 12.0644 12.0753 12.0753 k = 0.5000-0.0000 0.4990 ( 3216 PWs) bands (ev): -45.8058 -45.8058 -45.8058 -45.8058 -22.4768 -22.4768 -22.4765 -22.4765 -21.9227 -21.9227 -21.9226 -21.9226 -21.4994 -21.4994 -21.4991 -21.4991 6.8906 6.8906 6.8991 6.8991 7.6326 7.6326 7.6521 7.6521 7.9932 7.9932 8.0025 8.0025 8.7620 8.7620 8.7890 8.7890 9.2025 9.2025 9.2656 9.2656 9.9064 9.9064 9.9118 9.9118 10.3175 10.3175 10.3424 10.3424 10.9897 10.9897 10.9989 10.9989 12.0915 12.0915 12.1034 12.1034 k = 0.5000-0.0000 0.4805 ( 3218 PWs) bands (ev): -45.8059 -45.8059 -45.8058 -45.8058 -22.4766 -22.4766 -22.4763 -22.4763 -21.9225 -21.9225 -21.9223 -21.9223 -21.4994 -21.4994 -21.4990 -21.4990 6.8717 6.8717 6.8804 6.8804 7.5950 7.5950 7.6176 7.6176 7.9632 7.9632 7.9698 7.9698 8.7737 8.7737 8.7983 8.7983 9.1908 9.1908 9.2593 9.2593 9.9086 9.9086 9.9127 9.9127 10.3790 10.3790 10.4063 10.4063 11.0158 11.0158 11.0251 11.0251 12.1225 12.1225 12.1353 12.1353 k = 0.5000-0.0000 0.4620 ( 3214 PWs) bands (ev): -45.8059 -45.8059 -45.8059 -45.8059 -22.4764 -22.4764 -22.4761 -22.4761 -21.9222 -21.9222 -21.9220 -21.9220 -21.4993 -21.4993 -21.4989 -21.4989 6.8503 6.8503 6.8589 6.8589 7.5532 7.5532 7.5785 7.5785 7.9405 7.9405 7.9451 7.9451 8.7802 8.7802 8.8024 8.8024 9.1789 9.1789 9.2519 9.2519 9.9099 9.9099 9.9130 9.9130 10.4439 10.4439 10.4732 10.4732 11.0448 11.0448 11.0539 11.0539 12.1575 12.1575 12.1709 12.1709 k = 0.5000-0.0000 0.4436 ( 3216 PWs) bands (ev): -45.8059 -45.8059 -45.8059 -45.8059 -22.4762 -22.4762 -22.4759 -22.4759 -21.9220 -21.9220 -21.9218 -21.9218 -21.4993 -21.4993 -21.4988 -21.4988 6.8261 6.8261 6.8345 6.8345 7.5092 7.5092 7.5365 7.5365 7.9238 7.9238 7.9269 7.9269 8.7821 8.7821 8.8018 8.8018 9.1668 9.1668 9.2435 9.2435 9.9106 9.9106 9.9129 9.9129 10.5108 10.5108 10.5415 10.5415 11.0766 11.0766 11.0852 11.0852 12.1961 12.1961 12.2101 12.2101 k = 0.5000-0.0000 0.4251 ( 3212 PWs) bands (ev): -45.8060 -45.8060 -45.8060 -45.8060 -22.4760 -22.4760 -22.4757 -22.4757 -21.9217 -21.9217 -21.9214 -21.9214 -21.4992 -21.4992 -21.4987 -21.4987 6.7993 6.7993 6.8072 6.8072 7.4648 7.4648 7.4937 7.4937 7.9115 7.9115 7.9137 7.9137 8.7800 8.7800 8.7974 8.7974 9.1546 9.1546 9.2342 9.2342 9.9108 9.9108 9.9124 9.9124 10.5782 10.5782 10.6100 10.6100 11.1112 11.1112 11.1190 11.1190 12.2382 12.2382 12.2526 12.2526 k = 0.5000-0.0000 0.4066 ( 3216 PWs) bands (ev): -45.8060 -45.8060 -45.8060 -45.8060 -22.4758 -22.4758 -22.4754 -22.4754 -21.9214 -21.9214 -21.9212 -21.9212 -21.4991 -21.4991 -21.4987 -21.4987 6.7697 6.7697 6.7770 6.7770 7.4215 7.4215 7.4517 7.4517 7.9026 7.9026 7.9042 7.9042 8.7745 8.7745 8.7897 8.7897 9.1424 9.1424 9.2239 9.2239 9.9106 9.9106 9.9117 9.9117 10.6448 10.6448 10.6772 10.6772 11.1485 11.1485 11.1554 11.1554 12.2832 12.2832 12.2978 12.2978 k = 0.5000-0.0000 0.3881 ( 3216 PWs) bands (ev): -45.8061 -45.8061 -45.8061 -45.8061 -22.4756 -22.4756 -22.4752 -22.4752 -21.9211 -21.9211 -21.9208 -21.9208 -21.4991 -21.4991 -21.4986 -21.4986 6.7375 6.7375 6.7441 6.7441 7.3805 7.3805 7.4117 7.4117 7.8962 7.8962 7.8975 7.8975 8.7661 8.7661 8.7795 8.7795 9.1301 9.1301 9.2127 9.2127 9.9100 9.9100 9.9108 9.9108 10.7094 10.7094 10.7422 10.7422 11.1884 11.1884 11.1943 11.1943 12.3305 12.3305 12.3452 12.3452 k = 0.5000-0.0000 0.3696 ( 3216 PWs) bands (ev): -45.8061 -45.8061 -45.8061 -45.8061 -22.4753 -22.4753 -22.4749 -22.4749 -21.9207 -21.9207 -21.9205 -21.9205 -21.4990 -21.4990 -21.4985 -21.4985 6.7030 6.7030 6.7088 6.7088 7.3424 7.3424 7.3743 7.3743 7.8917 7.8917 7.8927 7.8927 8.7554 8.7554 8.7671 8.7671 9.1178 9.1178 9.2008 9.2008 9.9092 9.9092 9.9097 9.9097 10.7712 10.7712 10.8041 10.8041 11.2308 11.2308 11.2356 11.2356 12.3792 12.3792 12.3939 12.3939 k = 0.5000-0.0000 0.3512 ( 3216 PWs) bands (ev): -45.8062 -45.8062 -45.8062 -45.8062 -22.4751 -22.4751 -22.4747 -22.4747 -21.9204 -21.9204 -21.9202 -21.9202 -21.4989 -21.4989 -21.4984 -21.4984 6.6666 6.6666 6.6716 6.6716 7.3075 7.3075 7.3399 7.3399 7.8886 7.8886 7.8894 7.8894 8.7429 8.7429 8.7531 8.7531 9.1056 9.1056 9.1881 9.1881 9.9083 9.9083 9.9086 9.9086 10.8295 10.8295 10.8621 10.8621 11.2754 11.2754 11.2790 11.2790 12.4284 12.4284 12.4430 12.4430 k = 0.5000-0.0000 0.3327 ( 3220 PWs) bands (ev): -45.8062 -45.8062 -45.8062 -45.8062 -22.4749 -22.4749 -22.4745 -22.4745 -21.9201 -21.9201 -21.9199 -21.9199 -21.4988 -21.4988 -21.4983 -21.4983 6.6287 6.6287 6.6330 6.6330 7.2759 7.2759 7.3085 7.3085 7.8866 7.8866 7.8873 7.8873 8.7289 8.7289 8.7379 8.7379 9.0934 9.0934 9.1749 9.1749 9.9072 9.9072 9.9074 9.9074 10.8841 10.8841 10.9160 10.9160 11.3217 11.3217 11.3243 11.3243 12.4770 12.4770 12.4912 12.4912 k = 0.5000-0.0000 0.3142 ( 3216 PWs) bands (ev): -45.8063 -45.8063 -45.8063 -45.8063 -22.4746 -22.4746 -22.4742 -22.4742 -21.9197 -21.9197 -21.9195 -21.9195 -21.4987 -21.4987 -21.4982 -21.4982 6.5898 6.5898 6.5934 6.5934 7.2476 7.2476 7.2801 7.2801 7.8855 7.8855 7.8862 7.8862 8.7139 8.7139 8.7218 8.7218 9.0815 9.0815 9.1612 9.1612 9.9061 9.9061 9.9061 9.9061 10.9348 10.9348 10.9658 10.9658 11.3692 11.3692 11.3710 11.3710 12.5237 12.5237 12.5376 12.5376 k = 0.5000-0.0000 0.2957 ( 3212 PWs) bands (ev): -45.8063 -45.8063 -45.8063 -45.8063 -22.4743 -22.4743 -22.4739 -22.4739 -21.9194 -21.9194 -21.9191 -21.9191 -21.4986 -21.4986 -21.4981 -21.4981 6.5504 6.5504 6.5535 6.5535 7.2224 7.2224 7.2545 7.2545 7.8850 7.8850 7.8857 7.8857 8.6981 8.6981 8.7052 8.7052 9.0697 9.0697 9.1471 9.1471 9.9049 9.9049 9.9049 9.9049 10.9817 10.9817 11.0114 11.0114 11.4174 11.4174 11.4184 11.4184 12.5676 12.5676 12.5810 12.5810 k = 0.5000-0.0000 0.2772 ( 3212 PWs) bands (ev): -45.8064 -45.8064 -45.8063 -45.8063 -22.4741 -22.4741 -22.4737 -22.4737 -21.9190 -21.9190 -21.9188 -21.9188 -21.4985 -21.4985 -21.4980 -21.4980 6.5112 6.5112 6.5138 6.5138 7.2001 7.2001 7.2315 7.2315 7.8852 7.8852 7.8858 7.8858 8.6820 8.6820 8.6883 8.6883 9.0583 9.0583 9.1329 9.1329 9.9037 9.9037 9.9037 9.9037 11.0250 11.0250 11.0532 11.0532 11.4655 11.4655 11.4660 11.4660 12.6077 12.6077 12.6206 12.6206 k = 0.5000-0.0000 0.2587 ( 3216 PWs) bands (ev): -45.8064 -45.8064 -45.8064 -45.8064 -22.4739 -22.4739 -22.4735 -22.4735 -21.9187 -21.9187 -21.9185 -21.9185 -21.4984 -21.4984 -21.4979 -21.4979 6.4726 6.4726 6.4748 6.4748 7.1803 7.1803 7.2108 7.2108 7.8858 7.8858 7.8864 7.8864 8.6658 8.6658 8.6714 8.6714 9.0472 9.0472 9.1186 9.1186 9.9024 9.9024 9.9025 9.9025 11.0649 11.0649 11.0914 11.0914 11.5131 11.5131 11.5132 11.5132 12.6434 12.6434 12.6558 12.6558 k = 0.5000-0.0000 0.2403 ( 3212 PWs) bands (ev): -45.8065 -45.8065 -45.8064 -45.8064 -22.4736 -22.4736 -22.4732 -22.4732 -21.9184 -21.9184 -21.9182 -21.9182 -21.4983 -21.4983 -21.4978 -21.4978 6.4351 6.4351 6.4369 6.4369 7.1628 7.1628 7.1921 7.1921 7.8868 7.8868 7.8873 7.8873 8.6497 8.6497 8.6546 8.6546 9.0367 9.0367 9.1043 9.1043 9.9013 9.9013 9.9013 9.9013 11.1017 11.1017 11.1264 11.1264 11.5593 11.5593 11.5596 11.5596 12.6745 12.6745 12.6863 12.6863 k = 0.5000-0.0000 0.2218 ( 3204 PWs) bands (ev): -45.8065 -45.8065 -45.8065 -45.8065 -22.4733 -22.4733 -22.4730 -22.4730 -21.9180 -21.9180 -21.9178 -21.9178 -21.4982 -21.4982 -21.4978 -21.4978 6.3990 6.3990 6.4006 6.4006 7.1475 7.1475 7.1754 7.1754 7.8881 7.8881 7.8886 7.8886 8.6339 8.6339 8.6383 8.6383 9.0266 9.0266 9.0903 9.0903 9.9001 9.9001 9.9002 9.9002 11.1356 11.1356 11.1583 11.1583 11.6039 11.6039 11.6044 11.6044 12.7010 12.7010 12.7122 12.7122 k = 0.5000-0.0000 0.2033 ( 3204 PWs) bands (ev): -45.8066 -45.8066 -45.8065 -45.8065 -22.4731 -22.4731 -22.4728 -22.4728 -21.9177 -21.9177 -21.9175 -21.9175 -21.4981 -21.4981 -21.4977 -21.4977 6.3649 6.3649 6.3662 6.3662 7.1340 7.1340 7.1603 7.1603 7.8896 7.8896 7.8900 7.8900 8.6187 8.6187 8.6226 8.6226 9.0172 9.0172 9.0765 9.0765 9.8991 9.8991 9.8992 9.8992 11.1667 11.1667 11.1875 11.1875 11.6465 11.6465 11.6473 11.6473 12.7231 12.7231 12.7335 12.7335 k = 0.5000-0.0000 0.1848 ( 3202 PWs) bands (ev): -45.8066 -45.8066 -45.8066 -45.8066 -22.4729 -22.4729 -22.4726 -22.4726 -21.9174 -21.9174 -21.9173 -21.9173 -21.4980 -21.4980 -21.4976 -21.4976 6.3328 6.3328 6.3339 6.3339 7.1223 7.1223 7.1469 7.1469 7.8912 7.8912 7.8916 7.8916 8.6041 8.6041 8.6077 8.6077 9.0086 9.0086 9.0633 9.0633 9.8981 9.8981 9.8982 9.8982 11.1951 11.1951 11.2139 11.2139 11.6868 11.6868 11.6878 11.6878 12.7411 12.7411 12.7508 12.7508 k = 0.5000-0.0000 0.1663 ( 3204 PWs) bands (ev): -45.8066 -45.8066 -45.8066 -45.8066 -22.4727 -22.4727 -22.4724 -22.4724 -21.9172 -21.9172 -21.9170 -21.9170 -21.4979 -21.4979 -21.4976 -21.4976 6.3032 6.3032 6.3041 6.3041 7.1122 7.1122 7.1348 7.1348 7.8929 7.8929 7.8933 7.8933 8.5905 8.5905 8.5936 8.5936 9.0008 9.0008 9.0506 9.0506 9.8972 9.8972 9.8972 9.8972 11.2210 11.2210 11.2378 11.2378 11.7244 11.7244 11.7255 11.7255 12.7555 12.7555 12.7645 12.7645 k = 0.5000-0.0000 0.1479 ( 3214 PWs) bands (ev): -45.8067 -45.8067 -45.8067 -45.8067 -22.4726 -22.4726 -22.4723 -22.4723 -21.9170 -21.9170 -21.9168 -21.9168 -21.4979 -21.4979 -21.4975 -21.4975 6.2762 6.2762 6.2770 6.2770 7.1036 7.1036 7.1240 7.1240 7.8947 7.8947 7.8951 7.8951 8.5779 8.5779 8.5806 8.5806 8.9939 8.9939 9.0386 9.0386 9.8963 9.8963 9.8964 9.8964 11.2443 11.2443 11.2591 11.2591 11.7591 11.7591 11.7603 11.7603 12.7669 12.7669 12.7751 12.7751 k = 0.5000-0.0000 0.1294 ( 3212 PWs) bands (ev): -45.8067 -45.8067 -45.8067 -45.8067 -22.4724 -22.4724 -22.4721 -22.4721 -21.9168 -21.9168 -21.9166 -21.9166 -21.4978 -21.4978 -21.4975 -21.4975 6.2520 6.2520 6.2526 6.2526 7.0963 7.0963 7.1145 7.1145 7.8965 7.8965 7.8968 7.8968 8.5664 8.5664 8.5688 8.5688 8.9879 8.9879 9.0275 9.0275 9.8956 9.8956 9.8956 9.8956 11.2650 11.2650 11.2779 11.2779 11.7905 11.7905 11.7917 11.7917 12.7756 12.7756 12.7830 12.7830 k = 0.5000-0.0000 0.1109 ( 3212 PWs) bands (ev): -45.8067 -45.8067 -45.8067 -45.8067 -22.4722 -22.4722 -22.4720 -22.4720 -21.9166 -21.9166 -21.9165 -21.9165 -21.4977 -21.4977 -21.4975 -21.4975 6.2308 6.2308 6.2313 6.2313 7.0904 7.0904 7.1062 7.1062 7.8981 7.8981 7.8984 7.8984 8.5562 8.5562 8.5582 8.5582 8.9831 8.9831 9.0172 9.0172 9.8949 9.8949 9.8950 9.8950 11.2832 11.2832 11.2942 11.2942 11.8184 11.8184 11.8196 11.8196 12.7823 12.7823 12.7888 12.7888 k = 0.5000-0.0000 0.0924 ( 3214 PWs) bands (ev): -45.8068 -45.8068 -45.8067 -45.8067 -22.4721 -22.4721 -22.4719 -22.4719 -21.9164 -21.9164 -21.9163 -21.9163 -21.4977 -21.4977 -21.4974 -21.4974 6.2126 6.2126 6.2130 6.2130 7.0856 7.0856 7.0990 7.0990 7.8996 7.8996 7.8998 7.8998 8.5474 8.5474 8.5491 8.5491 8.9793 8.9793 9.0079 9.0079 9.8943 9.8943 9.8944 9.8944 11.2987 11.2987 11.3078 11.3078 11.8426 11.8426 11.8436 11.8436 12.7873 12.7873 12.7928 12.7928 k = 0.5000-0.0000 0.0739 ( 3216 PWs) bands (ev): -45.8068 -45.8068 -45.8068 -45.8068 -22.4720 -22.4720 -22.4718 -22.4718 -21.9163 -21.9163 -21.9162 -21.9162 -21.4976 -21.4976 -21.4974 -21.4974 6.1976 6.1976 6.1980 6.1980 7.0821 7.0821 7.0929 7.0929 7.9009 7.9009 7.9011 7.9011 8.5401 8.5401 8.5415 8.5415 8.9766 8.9766 8.9997 8.9997 9.8939 9.8939 9.8939 9.8939 11.3117 11.3117 11.3189 11.3189 11.8627 11.8627 11.8636 11.8636 12.7909 12.7909 12.7954 12.7954 k = 0.5000-0.0000 0.0554 ( 3208 PWs) bands (ev): -45.8068 -45.8068 -45.8068 -45.8068 -22.4719 -22.4719 -22.4718 -22.4718 -21.9161 -21.9161 -21.9161 -21.9161 -21.4975 -21.4975 -21.4974 -21.4974 6.1859 6.1859 6.1862 6.1862 7.0797 7.0797 7.0878 7.0878 7.9020 7.9020 7.9021 7.9021 8.5344 8.5344 8.5354 8.5354 8.9752 8.9752 8.9926 8.9926 9.8935 9.8935 9.8936 9.8936 11.3220 11.3220 11.3274 11.3274 11.8787 11.8787 11.8794 11.8794 12.7935 12.7935 12.7969 12.7969 k = 0.5000-0.0000 0.0370 ( 3210 PWs) bands (ev): -45.8068 -45.8068 -45.8068 -45.8068 -22.4718 -22.4718 -22.4717 -22.4717 -21.9160 -21.9160 -21.9160 -21.9160 -21.4975 -21.4975 -21.4974 -21.4974 6.1775 6.1775 6.1777 6.1777 7.0784 7.0784 7.0839 7.0839 7.9028 7.9028 7.9029 7.9029 8.5303 8.5303 8.5310 8.5310 8.9750 8.9750 8.9866 8.9866 9.8933 9.8933 9.8933 9.8933 11.3296 11.3296 11.3332 11.3332 11.8903 11.8903 11.8908 11.8908 12.7954 12.7954 12.7977 12.7977 k = 0.5000-0.0000 0.0185 ( 3214 PWs) bands (ev): -45.8068 -45.8068 -45.8068 -45.8068 -22.4718 -22.4718 -22.4717 -22.4717 -21.9160 -21.9160 -21.9160 -21.9160 -21.4975 -21.4975 -21.4974 -21.4974 6.1725 6.1725 6.1726 6.1726 7.0782 7.0782 7.0809 7.0809 7.9033 7.9033 7.9034 7.9034 8.5279 8.5279 8.5283 8.5283 8.9760 8.9760 8.9818 8.9818 9.8931 9.8931 9.8931 9.8931 11.3346 11.3346 11.3364 11.3364 11.8973 11.8973 11.8976 11.8976 12.7966 12.7966 12.7978 12.7978 k = 0.5000-0.0000-0.0000 ( 3214 PWs) bands (ev): -45.8068 -45.8068 -45.8068 -45.8068 -22.4717 -22.4717 -22.4717 -22.4717 -21.9160 -21.9160 -21.9160 -21.9160 -21.4975 -21.4975 -21.4975 -21.4975 6.1708 6.1708 6.1708 6.1708 7.0790 7.0790 7.0790 7.0790 7.9035 7.9035 7.9035 7.9035 8.5272 8.5272 8.5272 8.5272 8.9783 8.9783 8.9783 8.9783 9.8931 9.8931 9.8931 9.8931 11.3368 11.3368 11.3368 11.3368 11.8998 11.8998 11.8998 11.8998 12.7974 12.7974 12.7974 12.7974 k = 0.0000 0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4871 -22.4871 -22.4667 -22.4667 -21.9345 -21.9345 -21.9130 -21.9130 -21.5000 -21.5000 -21.4992 -21.4992 6.7561 6.7561 6.9501 6.9501 7.7275 7.7275 7.7540 7.7540 8.0362 8.0362 8.1347 8.1347 8.4222 8.4222 8.7376 8.7376 9.2538 9.2538 9.2734 9.2734 9.7901 9.7901 9.9777 9.9777 10.2852 10.2852 10.6288 10.6288 10.8688 10.8688 11.5133 11.5133 11.6926 11.6926 12.1475 12.1475 k = 0.0185-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4870 -22.4870 -22.4667 -22.4667 -21.9345 -21.9345 -21.9130 -21.9130 -21.5000 -21.5000 -21.4992 -21.4992 6.7567 6.7567 6.9502 6.9502 7.7281 7.7281 7.7536 7.7536 8.0360 8.0360 8.1362 8.1362 8.4224 8.4224 8.7373 8.7373 9.2538 9.2538 9.2734 9.2734 9.7903 9.7903 9.9776 9.9776 10.2849 10.2849 10.6282 10.6282 10.8668 10.8668 11.5113 11.5113 11.6943 11.6943 12.1473 12.1473 k = 0.0370-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4870 -22.4870 -22.4668 -22.4668 -21.9344 -21.9344 -21.9131 -21.9131 -21.5000 -21.5000 -21.4992 -21.4992 6.7584 6.7584 6.9506 6.9506 7.7296 7.7296 7.7526 7.7526 8.0355 8.0355 8.1407 8.1407 8.4230 8.4230 8.7363 8.7363 9.2536 9.2536 9.2735 9.2735 9.7910 9.7910 9.9773 9.9773 10.2839 10.2839 10.6261 10.6261 10.8610 10.8610 11.5057 11.5057 11.6992 11.6992 12.1466 12.1466 k = 0.0556-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8076 -45.8076 -45.8038 -45.8038 -22.4869 -22.4869 -22.4669 -22.4669 -21.9343 -21.9343 -21.9132 -21.9132 -21.5000 -21.5000 -21.4991 -21.4991 6.7613 6.7613 6.9514 6.9514 7.7321 7.7321 7.7509 7.7509 8.0349 8.0349 8.1478 8.1478 8.4240 8.4240 8.7347 8.7347 9.2534 9.2534 9.2736 9.2736 9.7921 9.7921 9.9768 9.9768 10.2822 10.2822 10.6224 10.6224 10.8516 10.8516 11.4968 11.4968 11.7069 11.7069 12.1455 12.1455 k = 0.0741-0.0000 0.6469 ( 3222 PWs) bands (ev): -45.8075 -45.8075 -45.8038 -45.8038 -22.4868 -22.4868 -22.4670 -22.4670 -21.9342 -21.9342 -21.9133 -21.9133 -21.5000 -21.5000 -21.4992 -21.4992 6.7653 6.7653 6.9523 6.9523 7.7356 7.7356 7.7487 7.7487 8.0343 8.0343 8.1575 8.1575 8.4253 8.4253 8.7325 8.7325 9.2532 9.2532 9.2738 9.2738 9.7937 9.7937 9.9761 9.9761 10.2798 10.2798 10.6167 10.6167 10.8393 10.8393 11.4852 11.4852 11.7166 11.7166 12.1440 12.1440 k = 0.0926-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8075 -45.8075 -45.8039 -45.8039 -22.4867 -22.4867 -22.4672 -22.4672 -21.9340 -21.9340 -21.9135 -21.9135 -21.5000 -21.5000 -21.4992 -21.4992 6.7703 6.7703 6.9536 6.9536 7.7397 7.7397 7.7463 7.7463 8.0339 8.0339 8.1694 8.1694 8.4272 8.4272 8.7296 8.7296 9.2529 9.2529 9.2741 9.2741 9.7957 9.7957 9.9752 9.9752 10.2767 10.2767 10.6085 10.6085 10.8249 10.8249 11.4715 11.4715 11.7278 11.7278 12.1419 12.1419 k = 0.1111-0.0000 0.6469 ( 3222 PWs) bands (ev): -45.8075 -45.8075 -45.8039 -45.8039 -22.4865 -22.4865 -22.4674 -22.4674 -21.9339 -21.9339 -21.9137 -21.9137 -21.5000 -21.5000 -21.4992 -21.4992 6.7764 6.7764 6.9551 6.9551 7.7416 7.7416 7.7464 7.7464 8.0340 8.0340 8.1831 8.1831 8.4294 8.4294 8.7261 8.7261 9.2525 9.2525 9.2743 9.2743 9.7981 9.7981 9.9740 9.9740 10.2728 10.2728 10.5970 10.5970 10.8095 10.8095 11.4558 11.4558 11.7400 11.7400 12.1394 12.1394 k = 0.1296-0.0000 0.6469 ( 3224 PWs) bands (ev): -45.8074 -45.8074 -45.8039 -45.8039 -22.4863 -22.4863 -22.4676 -22.4676 -21.9336 -21.9336 -21.9139 -21.9139 -21.5000 -21.5000 -21.4992 -21.4992 6.7833 6.7833 6.9567 6.9567 7.7391 7.7391 7.7515 7.7515 8.0346 8.0346 8.1985 8.1985 8.4322 8.4322 8.7220 8.7220 9.2521 9.2521 9.2747 9.2747 9.8009 9.8009 9.9726 9.9726 10.2683 10.2683 10.5814 10.5814 10.7944 10.7944 11.4385 11.4385 11.7529 11.7529 12.1364 12.1364 k = 0.1481-0.0000 0.6469 ( 3220 PWs) bands (ev): -45.8074 -45.8074 -45.8040 -45.8040 -22.4861 -22.4861 -22.4679 -22.4679 -21.9333 -21.9333 -21.9141 -21.9141 -21.4999 -21.4999 -21.4992 -21.4992 6.7911 6.7911 6.9586 6.9586 7.7360 7.7360 7.7576 7.7576 8.0362 8.0362 8.2152 8.2152 8.4354 8.4354 8.7173 8.7173 9.2518 9.2518 9.2750 9.2750 9.8040 9.8040 9.9710 9.9710 10.2629 10.2629 10.5611 10.5611 10.7808 10.7808 11.4196 11.4196 11.7661 11.7661 12.1328 12.1328 k = 0.1667-0.0000 0.6469 ( 3220 PWs) bands (ev): -45.8073 -45.8073 -45.8040 -45.8040 -22.4858 -22.4858 -22.4682 -22.4682 -21.9330 -21.9330 -21.9144 -21.9144 -21.4999 -21.4999 -21.4992 -21.4992 6.7997 6.7997 6.9605 6.9605 7.7328 7.7328 7.7639 7.7639 8.0388 8.0388 8.2328 8.2328 8.4391 8.4391 8.7121 8.7121 9.2514 9.2514 9.2754 9.2754 9.8074 9.8074 9.9690 9.9690 10.2568 10.2568 10.5358 10.5358 10.7695 10.7695 11.3992 11.3992 11.7795 11.7795 12.1288 12.1288 k = 0.1852-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8073 -45.8073 -45.8041 -45.8041 -22.4856 -22.4856 -22.4685 -22.4685 -21.9327 -21.9327 -21.9147 -21.9147 -21.4999 -21.4999 -21.4992 -21.4992 6.8089 6.8089 6.9626 6.9626 7.7298 7.7298 7.7702 7.7702 8.0430 8.0430 8.2512 8.2512 8.4433 8.4433 8.7062 8.7062 9.2512 9.2512 9.2758 9.2758 9.8111 9.8111 9.9667 9.9667 10.2497 10.2497 10.5058 10.5058 10.7609 10.7609 11.3773 11.3773 11.7929 11.7929 12.1241 12.1241 k = 0.2037-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8072 -45.8072 -45.8042 -45.8042 -22.4852 -22.4852 -22.4689 -22.4689 -21.9323 -21.9323 -21.9151 -21.9151 -21.4999 -21.4999 -21.4992 -21.4992 6.8186 6.8186 6.9647 6.9647 7.7270 7.7270 7.7761 7.7761 8.0489 8.0489 8.2700 8.2700 8.4480 8.4480 8.6998 8.6998 9.2510 9.2510 9.2762 9.2762 9.8151 9.8151 9.9641 9.9641 10.2418 10.2418 10.4718 10.4718 10.7550 10.7550 11.3539 11.3539 11.8061 11.8061 12.1190 12.1190 k = 0.2222-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8071 -45.8071 -45.8042 -45.8042 -22.4849 -22.4849 -22.4693 -22.4693 -21.9320 -21.9320 -21.9154 -21.9154 -21.4998 -21.4998 -21.4992 -21.4992 6.8288 6.8288 6.9669 6.9669 7.7245 7.7245 7.7813 7.7813 8.0570 8.0570 8.2888 8.2888 8.4532 8.4532 8.6928 8.6928 9.2509 9.2509 9.2767 9.2767 9.8192 9.8192 9.9612 9.9612 10.2330 10.2330 10.4350 10.4350 10.7514 10.7514 11.3289 11.3289 11.8191 11.8191 12.1132 12.1132 k = 0.2407-0.0000 0.6469 ( 3216 PWs) bands (ev): -45.8071 -45.8071 -45.8043 -45.8043 -22.4845 -22.4845 -22.4697 -22.4697 -21.9315 -21.9315 -21.9158 -21.9158 -21.4998 -21.4998 -21.4992 -21.4992 6.8392 6.8392 6.9689 6.9689 7.7224 7.7224 7.7856 7.7856 8.0674 8.0674 8.3074 8.3074 8.4588 8.4588 8.6853 8.6853 9.2509 9.2509 9.2771 9.2771 9.8234 9.8234 9.9578 9.9578 10.2231 10.2231 10.3966 10.3966 10.7499 10.7499 11.3025 11.3025 11.8318 11.8318 12.1070 12.1070 k = 0.2593-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8070 -45.8070 -45.8044 -45.8044 -22.4842 -22.4842 -22.4701 -22.4701 -21.9311 -21.9311 -21.9163 -21.9163 -21.4998 -21.4998 -21.4992 -21.4992 6.8499 6.8499 6.9709 6.9709 7.7208 7.7208 7.7887 7.7887 8.0805 8.0805 8.3255 8.3255 8.4646 8.4646 8.6772 8.6772 9.2511 9.2511 9.2776 9.2776 9.8277 9.8277 9.9541 9.9541 10.2121 10.2121 10.3576 10.3576 10.7503 10.7503 11.2746 11.2746 11.8441 11.8441 12.1003 12.1003 k = 0.2778-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8069 -45.8069 -45.8045 -45.8045 -22.4837 -22.4837 -22.4706 -22.4706 -21.9306 -21.9306 -21.9167 -21.9167 -21.4998 -21.4998 -21.4992 -21.4992 6.8606 6.8606 6.9727 6.9727 7.7196 7.7196 7.7905 7.7905 8.0962 8.0962 8.3428 8.3428 8.4706 8.4706 8.6684 8.6684 9.2515 9.2515 9.2780 9.2780 9.8320 9.8320 9.9498 9.9498 10.1999 10.1999 10.3193 10.3193 10.7521 10.7521 11.2453 11.2453 11.8561 11.8561 12.0931 12.0931 k = 0.2963-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8068 -45.8068 -45.8045 -45.8045 -22.4833 -22.4833 -22.4711 -22.4711 -21.9301 -21.9301 -21.9172 -21.9172 -21.4998 -21.4998 -21.4993 -21.4993 6.8713 6.8713 6.9743 6.9743 7.7189 7.7189 7.7910 7.7910 8.1148 8.1148 8.3593 8.3593 8.4765 8.4765 8.6590 8.6590 9.2522 9.2522 9.2784 9.2784 9.8362 9.8362 9.9452 9.9452 10.1863 10.1863 10.2830 10.2830 10.7555 10.7555 11.2149 11.2149 11.8677 11.8677 12.0854 12.0854 k = 0.3148-0.0000 0.6469 ( 3216 PWs) bands (ev): -45.8067 -45.8067 -45.8046 -45.8046 -22.4829 -22.4829 -22.4716 -22.4716 -21.9296 -21.9296 -21.9177 -21.9177 -21.4998 -21.4998 -21.4993 -21.4993 6.8818 6.8818 6.9756 6.9756 7.7188 7.7188 7.7902 7.7902 8.1359 8.1359 8.3747 8.3747 8.4819 8.4819 8.6488 8.6488 9.2531 9.2531 9.2788 9.2788 9.8402 9.8402 9.9401 9.9401 10.1712 10.1712 10.2496 10.2496 10.7602 10.7602 11.1836 11.1836 11.8790 11.8790 12.0773 12.0773 k = 0.3333-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8066 -45.8066 -45.8047 -45.8047 -22.4823 -22.4823 -22.4721 -22.4721 -21.9290 -21.9290 -21.9182 -21.9182 -21.4997 -21.4997 -21.4993 -21.4993 6.8921 6.8921 6.9765 6.9765 7.7192 7.7192 7.7883 7.7883 8.1594 8.1594 8.3890 8.3890 8.4866 8.4866 8.6378 8.6378 9.2542 9.2542 9.2790 9.2790 9.8440 9.8440 9.9345 9.9345 10.1546 10.1546 10.2201 10.2201 10.7663 10.7663 11.1516 11.1516 11.8899 11.8899 12.0688 12.0688 k = 0.3519-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8065 -45.8065 -45.8048 -45.8048 -22.4819 -22.4819 -22.4726 -22.4726 -21.9285 -21.9285 -21.9187 -21.9187 -21.4997 -21.4997 -21.4993 -21.4993 6.9021 6.9021 6.9771 6.9771 7.7201 7.7201 7.7854 7.7854 8.1850 8.1850 8.4023 8.4023 8.4903 8.4903 8.6258 8.6258 9.2557 9.2557 9.2792 9.2792 9.8475 9.8475 9.9286 9.9286 10.1371 10.1371 10.1947 10.1947 10.7738 10.7738 11.1193 11.1193 11.9006 11.9006 12.0600 12.0600 k = 0.3704-0.0000 0.6469 ( 3212 PWs) bands (ev): -45.8064 -45.8064 -45.8049 -45.8049 -22.4813 -22.4813 -22.4732 -22.4732 -21.9279 -21.9279 -21.9193 -21.9193 -21.4997 -21.4997 -21.4993 -21.4993 6.9116 6.9116 6.9772 6.9772 7.7217 7.7217 7.7816 7.7816 8.2123 8.2123 8.4144 8.4144 8.4927 8.4927 8.6127 8.6127 9.2574 9.2574 9.2792 9.2792 9.8507 9.8507 9.9225 9.9225 10.1199 10.1199 10.1729 10.1729 10.7827 10.7827 11.0871 11.0871 11.9111 11.9111 12.0509 12.0509 k = 0.3889-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8063 -45.8063 -45.8050 -45.8050 -22.4808 -22.4808 -22.4737 -22.4737 -21.9273 -21.9273 -21.9198 -21.9198 -21.4997 -21.4997 -21.4993 -21.4993 6.9206 6.9206 6.9768 6.9768 7.7237 7.7237 7.7773 7.7773 8.2410 8.2410 8.4254 8.4254 8.4936 8.4936 8.5984 8.5984 9.2593 9.2593 9.2790 9.2790 9.8537 9.8537 9.9161 9.9161 10.1044 10.1044 10.1539 10.1539 10.7931 10.7931 11.0554 11.0554 11.9215 11.9215 12.0415 12.0415 k = 0.4074-0.0000 0.6469 ( 3212 PWs) bands (ev): -45.8062 -45.8062 -45.8051 -45.8051 -22.4803 -22.4803 -22.4743 -22.4743 -21.9267 -21.9267 -21.9204 -21.9204 -21.4996 -21.4996 -21.4993 -21.4993 6.9291 6.9291 6.9758 6.9758 7.7264 7.7264 7.7725 7.7725 8.2706 8.2706 8.4348 8.4348 8.4932 8.4932 8.5831 8.5831 9.2614 9.2614 9.2786 9.2786 9.8567 9.8567 9.9097 9.9097 10.0917 10.0917 10.1370 10.1370 10.8051 10.8051 11.0244 11.0244 11.9317 11.9317 12.0319 12.0319 k = 0.4259-0.0000 0.6469 ( 3214 PWs) bands (ev): -45.8061 -45.8061 -45.8052 -45.8052 -22.4797 -22.4797 -22.4749 -22.4749 -21.9261 -21.9261 -21.9211 -21.9211 -21.4996 -21.4996 -21.4994 -21.4994 6.9369 6.9369 6.9743 6.9743 7.7295 7.7295 7.7674 7.7674 8.3005 8.3005 8.4419 8.4419 8.4920 8.4920 8.5670 8.5670 9.2636 9.2636 9.2780 9.2780 9.8598 9.8598 9.9032 9.9032 10.0824 10.0824 10.1219 10.1219 10.8188 10.8188 10.9946 10.9946 11.9418 11.9418 12.0221 12.0221 k = 0.4444-0.0000 0.6469 ( 3218 PWs) bands (ev): -45.8060 -45.8060 -45.8054 -45.8054 -22.4792 -22.4792 -22.4755 -22.4755 -21.9255 -21.9255 -21.9217 -21.9217 -21.4996 -21.4996 -21.4994 -21.4994 6.9440 6.9440 6.9720 6.9720 7.7331 7.7331 7.7621 7.7621 8.3302 8.3302 8.4446 8.4446 8.4915 8.4915 8.5508 8.5508 9.2659 9.2659 9.2770 9.2770 9.8634 9.8634 9.8968 9.8968 10.0768 10.0768 10.1084 10.1084 10.8341 10.8341 10.9662 10.9662 11.9519 11.9519 12.0123 12.0123 k = 0.4630-0.0000 0.6469 ( 3210 PWs) bands (ev): -45.8059 -45.8059 -45.8055 -45.8055 -22.4785 -22.4785 -22.4761 -22.4761 -21.9248 -21.9248 -21.9223 -21.9223 -21.4995 -21.4995 -21.4994 -21.4994 6.9505 6.9505 6.9692 6.9692 7.7372 7.7372 7.7568 7.7568 8.3588 8.3588 8.4402 8.4402 8.4942 8.4942 8.5353 8.5353 9.2681 9.2681 9.2757 9.2757 9.8676 9.8676 9.8904 9.8904 10.0747 10.0747 10.0968 10.0968 10.8514 10.8514 10.9395 10.9395 11.9620 11.9620 12.0023 12.0023 k = 0.4815-0.0000 0.6469 ( 3212 PWs) bands (ev): -45.8058 -45.8058 -45.8056 -45.8056 -22.4779 -22.4779 -22.4767 -22.4767 -21.9242 -21.9242 -21.9229 -21.9229 -21.4995 -21.4995 -21.4994 -21.4994 6.9563 6.9563 6.9656 6.9656 7.7417 7.7417 7.7515 7.7515 8.3855 8.3855 8.4279 8.4279 8.5005 8.5005 8.5215 8.5215 9.2703 9.2703 9.2741 9.2741 9.8725 9.8725 9.8841 9.8841 10.0759 10.0759 10.0873 10.0873 10.8705 10.8705 10.9146 10.9146 11.9721 11.9721 11.9922 11.9922 k = 0.5000-0.0000 0.6469 ( 3220 PWs) bands (ev): -45.8057 -45.8057 -45.8057 -45.8057 -22.4774 -22.4774 -22.4774 -22.4774 -21.9236 -21.9236 -21.9236 -21.9236 -21.4995 -21.4995 -21.4995 -21.4995 6.9613 6.9613 6.9613 6.9613 7.7465 7.7465 7.7465 7.7465 8.4090 8.4090 8.4090 8.4090 8.5098 8.5098 8.5098 8.5098 9.2723 9.2723 9.2723 9.2723 9.8780 9.8780 9.8780 9.8780 10.0803 10.0803 10.0803 10.0803 10.8916 10.8916 10.8916 10.8916 11.9822 11.9822 11.9822 11.9822 Writing output data file TiPd.save init_run : 3.39s CPU 13.64s WALL ( 1 calls) electrons : 458.83s CPU 465.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 458.82s CPU 464.95s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.61s WALL ( 1 calls) newd : 0.71s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 344 calls) cegterg : 425.37s CPU 428.94s WALL ( 496 calls) Called by sum_band: Called by *egterg: h_psi : 188.56s CPU 194.86s WALL ( 8851 calls) s_psi : 25.97s CPU 26.40s WALL ( 8851 calls) g_psi : 0.48s CPU 0.55s WALL ( 8011 calls) cdiaghg : 154.35s CPU 152.69s WALL ( 8355 calls) cegterg:over : 43.26s CPU 40.92s WALL ( 8011 calls) cegterg:upda : 6.72s CPU 8.95s WALL ( 8011 calls) cegterg:last : 6.92s CPU 7.59s WALL ( 1772 calls) Called by h_psi: h_psi:vloc : 140.23s CPU 145.15s WALL ( 8851 calls) h_psi:vnl : 48.15s CPU 49.24s WALL ( 8851 calls) add_vuspsi : 16.76s CPU 19.83s WALL ( 8851 calls) General routines calbec : 31.36s CPU 29.33s WALL ( 8851 calls) fft : 0.17s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 129.93s CPU 133.51s WALL ( 1102872 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.08s WALL ( 688 calls) Parallel routines fft_scatter : 87.33s CPU 89.63s WALL ( 1102895 calls) PWSCF : 8m28.87s CPU 9m42.43s WALL This run was terminated on: 23:36: 0 22May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=