Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 34 10 1001 1001 158 Max 35 35 11 1005 1005 162 Sum 1225 1225 363 36105 36105 5773 bravais-lattice index = 14 lattice parameter (alat) = 8.8439 a.u. unit-cell volume = 373.5916 (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 = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.843918 celldm(2)= 0.615385 celldm(3)= 0.884615 celldm(4)= 0.125333 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 0.615385 0.000000 ) a(3) = ( 0.000000 0.110872 0.877640 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.625000 -0.205285 ) b(3) = ( 0.000000 0.000000 1.139419 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Ti 12.00 47.86700 Ti( 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 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 373 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0000000 0.0146079), wk = 0.0026810 k( 3) = ( 0.0000000 0.0000000 0.0292159), wk = 0.0026810 k( 4) = ( 0.0000000 0.0000000 0.0438238), wk = 0.0026810 k( 5) = ( 0.0000000 0.0000000 0.0584318), wk = 0.0026810 k( 6) = ( 0.0000000 0.0000000 0.0730397), wk = 0.0026810 k( 7) = ( 0.0000000 0.0000000 0.0876477), wk = 0.0026810 k( 8) = ( 0.0000000 0.0000000 0.1022556), wk = 0.0026810 k( 9) = ( 0.0000000 0.0000000 0.1168635), wk = 0.0026810 k( 10) = ( 0.0000000 0.0000000 0.1314715), wk = 0.0026810 k( 11) = ( 0.0000000 0.0000000 0.1460794), wk = 0.0026810 k( 12) = ( 0.0000000 0.0000000 0.1606874), wk = 0.0026810 k( 13) = ( 0.0000000 0.0000000 0.1752953), wk = 0.0026810 k( 14) = ( 0.0000000 0.0000000 0.1899032), wk = 0.0026810 k( 15) = ( 0.0000000 0.0000000 0.2045112), wk = 0.0026810 k( 16) = ( 0.0000000 0.0000000 0.2191191), wk = 0.0026810 k( 17) = ( 0.0000000 0.0000000 0.2337271), wk = 0.0026810 k( 18) = ( 0.0000000 0.0000000 0.2483350), wk = 0.0026810 k( 19) = ( 0.0000000 0.0000000 0.2629429), wk = 0.0026810 k( 20) = ( 0.0000000 0.0000000 0.2775509), wk = 0.0026810 k( 21) = ( 0.0000000 0.0000000 0.2921588), wk = 0.0026810 k( 22) = ( 0.0000000 0.0000000 0.3067668), wk = 0.0026810 k( 23) = ( 0.0000000 0.0000000 0.3213747), wk = 0.0026810 k( 24) = ( 0.0000000 0.0000000 0.3359827), wk = 0.0026810 k( 25) = ( 0.0000000 0.0000000 0.3505906), wk = 0.0026810 k( 26) = ( 0.0000000 0.0000000 0.3651985), wk = 0.0026810 k( 27) = ( 0.0000000 0.0000000 0.3798065), wk = 0.0026810 k( 28) = ( 0.0000000 0.0000000 0.3944144), wk = 0.0026810 k( 29) = ( 0.0000000 0.0000000 0.4090224), wk = 0.0026810 k( 30) = ( 0.0000000 0.0000000 0.4236303), wk = 0.0026810 k( 31) = ( 0.0000000 0.0000000 0.4382382), wk = 0.0026810 k( 32) = ( 0.0000000 0.0000000 0.4528462), wk = 0.0026810 k( 33) = ( 0.0000000 0.0000000 0.4674541), wk = 0.0026810 k( 34) = ( 0.0000000 0.0000000 0.4820621), wk = 0.0026810 k( 35) = ( 0.0000000 0.0000000 0.4966700), wk = 0.0026810 k( 36) = ( 0.0000000 0.0000000 0.5112780), wk = 0.0026810 k( 37) = ( 0.0000000 0.0000000 0.5258859), wk = 0.0026810 k( 38) = ( 0.0000000 0.0000000 0.5404938), wk = 0.0026810 k( 39) = ( 0.0000000 0.0000000 0.5551018), wk = 0.0026810 k( 40) = ( 0.0000000 0.0000000 0.5697097), wk = 0.0026810 k( 41) = ( 0.0000000 0.0000000 0.5697097), wk = 0.0026810 k( 42) = ( 0.0000000 0.0147744 0.5697097), wk = 0.0026810 k( 43) = ( 0.0000000 0.0295489 0.5697097), wk = 0.0026810 k( 44) = ( 0.0000000 0.0443233 0.5697097), wk = 0.0026810 k( 45) = ( 0.0000000 0.0590977 0.5697097), wk = 0.0026810 k( 46) = ( 0.0000000 0.0738721 0.5697097), wk = 0.0026810 k( 47) = ( 0.0000000 0.0886466 0.5697097), wk = 0.0026810 k( 48) = ( 0.0000000 0.1034210 0.5697097), wk = 0.0026810 k( 49) = ( 0.0000000 0.1181954 0.5697097), wk = 0.0026810 k( 50) = ( 0.0000000 0.1329698 0.5697097), wk = 0.0026810 k( 51) = ( 0.0000000 0.1477443 0.5697097), wk = 0.0026810 k( 52) = ( 0.0000000 0.1625187 0.5697097), wk = 0.0026810 k( 53) = ( 0.0000000 0.1772931 0.5697097), wk = 0.0026810 k( 54) = ( 0.0000000 0.1920675 0.5697097), wk = 0.0026810 k( 55) = ( 0.0000000 0.2068420 0.5697097), wk = 0.0026810 k( 56) = ( 0.0000000 0.2216164 0.5697097), wk = 0.0026810 k( 57) = ( 0.0000000 0.2363908 0.5697097), wk = 0.0026810 k( 58) = ( 0.0000000 0.2511652 0.5697097), wk = 0.0026810 k( 59) = ( 0.0000000 0.2659397 0.5697097), wk = 0.0026810 k( 60) = ( 0.0000000 0.2807141 0.5697097), wk = 0.0026810 k( 61) = ( 0.0000000 0.2954885 0.5697097), wk = 0.0026810 k( 62) = ( 0.0000000 0.3102629 0.5697097), wk = 0.0026810 k( 63) = ( 0.0000000 0.3250374 0.5697097), wk = 0.0026810 k( 64) = ( 0.0000000 0.3398118 0.5697097), wk = 0.0026810 k( 65) = ( 0.0000000 0.3545862 0.5697097), wk = 0.0026810 k( 66) = ( 0.0000000 0.3693606 0.5697097), wk = 0.0026810 k( 67) = ( 0.0000000 0.3841351 0.5697097), wk = 0.0026810 k( 68) = ( 0.0000000 0.3989095 0.5697097), wk = 0.0026810 k( 69) = ( 0.0000000 0.4136839 0.5697097), wk = 0.0026810 k( 70) = ( 0.0000000 0.4284583 0.5697097), wk = 0.0026810 k( 71) = ( 0.0000000 0.4432328 0.5697097), wk = 0.0026810 k( 72) = ( 0.0000000 0.4580072 0.5697097), wk = 0.0026810 k( 73) = ( 0.0000000 0.4727816 0.5697097), wk = 0.0026810 k( 74) = ( 0.0000000 0.4875560 0.5697097), wk = 0.0026810 k( 75) = ( 0.0000000 0.5023305 0.5697097), wk = 0.0026810 k( 76) = ( 0.0000000 0.5171049 0.5697097), wk = 0.0026810 k( 77) = ( 0.0000000 0.5318793 0.5697097), wk = 0.0026810 k( 78) = ( 0.0000000 0.5466537 0.5697097), wk = 0.0026810 k( 79) = ( 0.0000000 0.5614282 0.5697097), wk = 0.0026810 k( 80) = ( 0.0000000 0.5762026 0.5697097), wk = 0.0026810 k( 81) = ( 0.0000000 0.5909770 0.5697097), wk = 0.0026810 k( 82) = ( 0.0000000 0.6057514 0.5697097), wk = 0.0026810 k( 83) = ( 0.0000000 0.6205259 0.5697097), wk = 0.0026810 k( 84) = ( 0.0000000 0.6353003 0.5697097), wk = 0.0026810 k( 85) = ( 0.0000000 0.6500747 0.5697097), wk = 0.0026810 k( 86) = ( 0.0000000 0.6648492 0.5697097), wk = 0.0026810 k( 87) = ( 0.0000000 0.6796236 0.5697097), wk = 0.0026810 k( 88) = ( 0.0000000 0.6943980 0.5697097), wk = 0.0026810 k( 89) = ( 0.0000000 0.7091724 0.5697097), wk = 0.0026810 k( 90) = ( 0.0000000 0.7239469 0.5697097), wk = 0.0026810 k( 91) = ( 0.0000000 0.7387213 0.5697097), wk = 0.0026810 k( 92) = ( 0.0000000 0.7534957 0.5697097), wk = 0.0026810 k( 93) = ( 0.0000000 0.7534957 0.5697097), wk = 0.0026810 k( 94) = ( 0.0000000 0.7608712 0.5568794), wk = 0.0026810 k( 95) = ( 0.0000000 0.7682468 0.5440491), wk = 0.0026810 k( 96) = ( 0.0000000 0.7756223 0.5312187), wk = 0.0026810 k( 97) = ( 0.0000000 0.7829978 0.5183884), wk = 0.0026810 k( 98) = ( 0.0000000 0.7903734 0.5055581), wk = 0.0026810 k( 99) = ( 0.0000000 0.7977489 0.4927278), wk = 0.0026810 k( 100) = ( 0.0000000 0.8051245 0.4798974), wk = 0.0026810 k( 101) = ( 0.0000000 0.8125000 0.4670671), wk = 0.0026810 k( 102) = ( 0.0000000 0.8125000 0.4670671), wk = 0.0026810 k( 103) = ( 0.0147059 0.8125000 0.4670671), wk = 0.0026810 k( 104) = ( 0.0294118 0.8125000 0.4670671), wk = 0.0026810 k( 105) = ( 0.0441177 0.8125000 0.4670671), wk = 0.0026810 k( 106) = ( 0.0588235 0.8125000 0.4670671), wk = 0.0026810 k( 107) = ( 0.0735294 0.8125000 0.4670671), wk = 0.0026810 k( 108) = ( 0.0882353 0.8125000 0.4670671), wk = 0.0026810 k( 109) = ( 0.1029412 0.8125000 0.4670671), wk = 0.0026810 k( 110) = ( 0.1176471 0.8125000 0.4670671), wk = 0.0026810 k( 111) = ( 0.1323529 0.8125000 0.4670671), wk = 0.0026810 k( 112) = ( 0.1470588 0.8125000 0.4670671), wk = 0.0026810 k( 113) = ( 0.1617647 0.8125000 0.4670671), wk = 0.0026810 k( 114) = ( 0.1764706 0.8125000 0.4670671), wk = 0.0026810 k( 115) = ( 0.1911765 0.8125000 0.4670671), wk = 0.0026810 k( 116) = ( 0.2058823 0.8125000 0.4670671), wk = 0.0026810 k( 117) = ( 0.2205882 0.8125000 0.4670671), wk = 0.0026810 k( 118) = ( 0.2352941 0.8125000 0.4670671), wk = 0.0026810 k( 119) = ( 0.2500000 0.8125000 0.4670671), wk = 0.0026810 k( 120) = ( 0.2647059 0.8125000 0.4670671), wk = 0.0026810 k( 121) = ( 0.2794118 0.8125000 0.4670671), wk = 0.0026810 k( 122) = ( 0.2941177 0.8125000 0.4670671), wk = 0.0026810 k( 123) = ( 0.3088235 0.8125000 0.4670671), wk = 0.0026810 k( 124) = ( 0.3235294 0.8125000 0.4670671), wk = 0.0026810 k( 125) = ( 0.3382353 0.8125000 0.4670671), wk = 0.0026810 k( 126) = ( 0.3529412 0.8125000 0.4670671), wk = 0.0026810 k( 127) = ( 0.3676471 0.8125000 0.4670671), wk = 0.0026810 k( 128) = ( 0.3823529 0.8125000 0.4670671), wk = 0.0026810 k( 129) = ( 0.3970588 0.8125000 0.4670671), wk = 0.0026810 k( 130) = ( 0.4117647 0.8125000 0.4670671), wk = 0.0026810 k( 131) = ( 0.4264706 0.8125000 0.4670671), wk = 0.0026810 k( 132) = ( 0.4411765 0.8125000 0.4670671), wk = 0.0026810 k( 133) = ( 0.4558823 0.8125000 0.4670671), wk = 0.0026810 k( 134) = ( 0.4705882 0.8125000 0.4670671), wk = 0.0026810 k( 135) = ( 0.4852941 0.8125000 0.4670671), wk = 0.0026810 k( 136) = ( 0.5000000 0.8125000 0.4670671), wk = 0.0026810 k( 137) = ( 0.5000000 0.8125000 0.4670671), wk = 0.0026810 k( 138) = ( 0.5000000 0.8198755 0.4542368), wk = 0.0026810 k( 139) = ( 0.5000000 0.8272511 0.4414064), wk = 0.0026810 k( 140) = ( 0.5000000 0.8346266 0.4285761), wk = 0.0026810 k( 141) = ( 0.5000000 0.8420022 0.4157458), wk = 0.0026810 k( 142) = ( 0.5000000 0.8493777 0.4029155), wk = 0.0026810 k( 143) = ( 0.5000000 0.8567532 0.3900851), wk = 0.0026810 k( 144) = ( 0.5000000 0.8641288 0.3772548), wk = 0.0026810 k( 145) = ( 0.5000000 0.8715043 0.3644245), wk = 0.0026810 k( 146) = ( 0.5000000 0.8715043 0.3644245), wk = 0.0026810 k( 147) = ( 0.5000000 0.8696604 0.3498286), wk = 0.0026810 k( 148) = ( 0.5000000 0.8678165 0.3352328), wk = 0.0026810 k( 149) = ( 0.5000000 0.8659726 0.3206369), wk = 0.0026810 k( 150) = ( 0.5000000 0.8641288 0.3060411), wk = 0.0026810 k( 151) = ( 0.5000000 0.8622849 0.2914452), wk = 0.0026810 k( 152) = ( 0.5000000 0.8604410 0.2768494), wk = 0.0026810 k( 153) = ( 0.5000000 0.8585971 0.2622536), wk = 0.0026810 k( 154) = ( 0.5000000 0.8567532 0.2476577), wk = 0.0026810 k( 155) = ( 0.5000000 0.8549093 0.2330619), wk = 0.0026810 k( 156) = ( 0.5000000 0.8530655 0.2184660), wk = 0.0026810 k( 157) = ( 0.5000000 0.8512216 0.2038702), wk = 0.0026810 k( 158) = ( 0.5000000 0.8493777 0.1892743), wk = 0.0026810 k( 159) = ( 0.5000000 0.8475338 0.1746785), wk = 0.0026810 k( 160) = ( 0.5000000 0.8456899 0.1600826), wk = 0.0026810 k( 161) = ( 0.5000000 0.8438460 0.1454868), wk = 0.0026810 k( 162) = ( 0.5000000 0.8420022 0.1308909), wk = 0.0026810 k( 163) = ( 0.5000000 0.8401583 0.1162951), wk = 0.0026810 k( 164) = ( 0.5000000 0.8383144 0.1016992), wk = 0.0026810 k( 165) = ( 0.5000000 0.8364705 0.0871034), wk = 0.0026810 k( 166) = ( 0.5000000 0.8346266 0.0725075), wk = 0.0026810 k( 167) = ( 0.5000000 0.8327827 0.0579117), wk = 0.0026810 k( 168) = ( 0.5000000 0.8309388 0.0433159), wk = 0.0026810 k( 169) = ( 0.5000000 0.8290950 0.0287200), wk = 0.0026810 k( 170) = ( 0.5000000 0.8272511 0.0141242), wk = 0.0026810 k( 171) = ( 0.5000000 0.8254072 -0.0004717), wk = 0.0026810 k( 172) = ( 0.5000000 0.8235633 -0.0150675), wk = 0.0026810 k( 173) = ( 0.5000000 0.8217194 -0.0296634), wk = 0.0026810 k( 174) = ( 0.5000000 0.8198755 -0.0442592), wk = 0.0026810 k( 175) = ( 0.5000000 0.8180316 -0.0588551), wk = 0.0026810 k( 176) = ( 0.5000000 0.8161878 -0.0734509), wk = 0.0026810 k( 177) = ( 0.5000000 0.8143439 -0.0880468), wk = 0.0026810 k( 178) = ( 0.5000000 0.8125000 -0.1026426), wk = 0.0026810 k( 179) = ( 0.5000000 0.8125000 -0.1026426), wk = 0.0026810 k( 180) = ( 0.4852941 0.8125000 -0.1026426), wk = 0.0026810 k( 181) = ( 0.4705882 0.8125000 -0.1026426), wk = 0.0026810 k( 182) = ( 0.4558823 0.8125000 -0.1026426), wk = 0.0026810 k( 183) = ( 0.4411765 0.8125000 -0.1026426), wk = 0.0026810 k( 184) = ( 0.4264706 0.8125000 -0.1026426), wk = 0.0026810 k( 185) = ( 0.4117647 0.8125000 -0.1026426), wk = 0.0026810 k( 186) = ( 0.3970588 0.8125000 -0.1026426), wk = 0.0026810 k( 187) = ( 0.3823529 0.8125000 -0.1026426), wk = 0.0026810 k( 188) = ( 0.3676471 0.8125000 -0.1026426), wk = 0.0026810 k( 189) = ( 0.3529412 0.8125000 -0.1026426), wk = 0.0026810 k( 190) = ( 0.3382353 0.8125000 -0.1026426), wk = 0.0026810 k( 191) = ( 0.3235294 0.8125000 -0.1026426), wk = 0.0026810 k( 192) = ( 0.3088235 0.8125000 -0.1026426), wk = 0.0026810 k( 193) = ( 0.2941177 0.8125000 -0.1026426), wk = 0.0026810 k( 194) = ( 0.2794118 0.8125000 -0.1026426), wk = 0.0026810 k( 195) = ( 0.2647059 0.8125000 -0.1026426), wk = 0.0026810 k( 196) = ( 0.2500000 0.8125000 -0.1026426), wk = 0.0026810 k( 197) = ( 0.2352941 0.8125000 -0.1026426), wk = 0.0026810 k( 198) = ( 0.2205882 0.8125000 -0.1026426), wk = 0.0026810 k( 199) = ( 0.2058823 0.8125000 -0.1026426), wk = 0.0026810 k( 200) = ( 0.1911765 0.8125000 -0.1026426), wk = 0.0026810 k( 201) = ( 0.1764706 0.8125000 -0.1026426), wk = 0.0026810 k( 202) = ( 0.1617647 0.8125000 -0.1026426), wk = 0.0026810 k( 203) = ( 0.1470588 0.8125000 -0.1026426), wk = 0.0026810 k( 204) = ( 0.1323529 0.8125000 -0.1026426), wk = 0.0026810 k( 205) = ( 0.1176471 0.8125000 -0.1026426), wk = 0.0026810 k( 206) = ( 0.1029412 0.8125000 -0.1026426), wk = 0.0026810 k( 207) = ( 0.0882353 0.8125000 -0.1026426), wk = 0.0026810 k( 208) = ( 0.0735294 0.8125000 -0.1026426), wk = 0.0026810 k( 209) = ( 0.0588235 0.8125000 -0.1026426), wk = 0.0026810 k( 210) = ( 0.0441177 0.8125000 -0.1026426), wk = 0.0026810 k( 211) = ( 0.0294118 0.8125000 -0.1026426), wk = 0.0026810 k( 212) = ( 0.0147059 0.8125000 -0.1026426), wk = 0.0026810 k( 213) = ( 0.0000000 0.8125000 -0.1026426), wk = 0.0026810 k( 214) = ( 0.0000000 0.8125000 -0.1026426), wk = 0.0026810 k( 215) = ( 0.0000000 0.8143439 -0.0880468), wk = 0.0026810 k( 216) = ( 0.0000000 0.8161878 -0.0734509), wk = 0.0026810 k( 217) = ( 0.0000000 0.8180316 -0.0588551), wk = 0.0026810 k( 218) = ( 0.0000000 0.8198755 -0.0442592), wk = 0.0026810 k( 219) = ( 0.0000000 0.8217194 -0.0296634), wk = 0.0026810 k( 220) = ( 0.0000000 0.8235633 -0.0150675), wk = 0.0026810 k( 221) = ( 0.0000000 0.8254072 -0.0004717), wk = 0.0026810 k( 222) = ( 0.0000000 0.8272511 0.0141242), wk = 0.0026810 k( 223) = ( 0.0000000 0.8290950 0.0287200), wk = 0.0026810 k( 224) = ( 0.0000000 0.8309388 0.0433159), wk = 0.0026810 k( 225) = ( 0.0000000 0.8327827 0.0579117), wk = 0.0026810 k( 226) = ( 0.0000000 0.8346266 0.0725075), wk = 0.0026810 k( 227) = ( 0.0000000 0.8364705 0.0871034), wk = 0.0026810 k( 228) = ( 0.0000000 0.8383144 0.1016992), wk = 0.0026810 k( 229) = ( 0.0000000 0.8401583 0.1162951), wk = 0.0026810 k( 230) = ( 0.0000000 0.8420022 0.1308909), wk = 0.0026810 k( 231) = ( 0.0000000 0.8438460 0.1454868), wk = 0.0026810 k( 232) = ( 0.0000000 0.8456899 0.1600826), wk = 0.0026810 k( 233) = ( 0.0000000 0.8475338 0.1746785), wk = 0.0026810 k( 234) = ( 0.0000000 0.8493777 0.1892743), wk = 0.0026810 k( 235) = ( 0.0000000 0.8512216 0.2038702), wk = 0.0026810 k( 236) = ( 0.0000000 0.8530655 0.2184660), wk = 0.0026810 k( 237) = ( 0.0000000 0.8549093 0.2330619), wk = 0.0026810 k( 238) = ( 0.0000000 0.8567532 0.2476577), wk = 0.0026810 k( 239) = ( 0.0000000 0.8585971 0.2622536), wk = 0.0026810 k( 240) = ( 0.0000000 0.8604410 0.2768494), wk = 0.0026810 k( 241) = ( 0.0000000 0.8622849 0.2914452), wk = 0.0026810 k( 242) = ( 0.0000000 0.8641288 0.3060411), wk = 0.0026810 k( 243) = ( 0.0000000 0.8659726 0.3206369), wk = 0.0026810 k( 244) = ( 0.0000000 0.8678165 0.3352328), wk = 0.0026810 k( 245) = ( 0.0000000 0.8696604 0.3498286), wk = 0.0026810 k( 246) = ( 0.0000000 0.8715043 0.3644245), wk = 0.0026810 k( 247) = ( 0.5000000 0.7534957 0.5697097), wk = 0.0026810 k( 248) = ( 0.5000000 0.7387213 0.5697097), wk = 0.0026810 k( 249) = ( 0.5000000 0.7239469 0.5697097), wk = 0.0026810 k( 250) = ( 0.5000000 0.7091724 0.5697097), wk = 0.0026810 k( 251) = ( 0.5000000 0.6943980 0.5697097), wk = 0.0026810 k( 252) = ( 0.5000000 0.6796236 0.5697097), wk = 0.0026810 k( 253) = ( 0.5000000 0.6648492 0.5697097), wk = 0.0026810 k( 254) = ( 0.5000000 0.6500747 0.5697097), wk = 0.0026810 k( 255) = ( 0.5000000 0.6353003 0.5697097), wk = 0.0026810 k( 256) = ( 0.5000000 0.6205259 0.5697097), wk = 0.0026810 k( 257) = ( 0.5000000 0.6057514 0.5697097), wk = 0.0026810 k( 258) = ( 0.5000000 0.5909770 0.5697097), wk = 0.0026810 k( 259) = ( 0.5000000 0.5762026 0.5697097), wk = 0.0026810 k( 260) = ( 0.5000000 0.5614282 0.5697097), wk = 0.0026810 k( 261) = ( 0.5000000 0.5466537 0.5697097), wk = 0.0026810 k( 262) = ( 0.5000000 0.5318793 0.5697097), wk = 0.0026810 k( 263) = ( 0.5000000 0.5171049 0.5697097), wk = 0.0026810 k( 264) = ( 0.5000000 0.5023305 0.5697097), wk = 0.0026810 k( 265) = ( 0.5000000 0.4875560 0.5697097), wk = 0.0026810 k( 266) = ( 0.5000000 0.4727816 0.5697097), wk = 0.0026810 k( 267) = ( 0.5000000 0.4580072 0.5697097), wk = 0.0026810 k( 268) = ( 0.5000000 0.4432328 0.5697097), wk = 0.0026810 k( 269) = ( 0.5000000 0.4284583 0.5697097), wk = 0.0026810 k( 270) = ( 0.5000000 0.4136839 0.5697097), wk = 0.0026810 k( 271) = ( 0.5000000 0.3989095 0.5697097), wk = 0.0026810 k( 272) = ( 0.5000000 0.3841351 0.5697097), wk = 0.0026810 k( 273) = ( 0.5000000 0.3693606 0.5697097), wk = 0.0026810 k( 274) = ( 0.5000000 0.3545862 0.5697097), wk = 0.0026810 k( 275) = ( 0.5000000 0.3398118 0.5697097), wk = 0.0026810 k( 276) = ( 0.5000000 0.3250374 0.5697097), wk = 0.0026810 k( 277) = ( 0.5000000 0.3102629 0.5697097), wk = 0.0026810 k( 278) = ( 0.5000000 0.2954885 0.5697097), wk = 0.0026810 k( 279) = ( 0.5000000 0.2807141 0.5697097), wk = 0.0026810 k( 280) = ( 0.5000000 0.2659397 0.5697097), wk = 0.0026810 k( 281) = ( 0.5000000 0.2511652 0.5697097), wk = 0.0026810 k( 282) = ( 0.5000000 0.2363908 0.5697097), wk = 0.0026810 k( 283) = ( 0.5000000 0.2216164 0.5697097), wk = 0.0026810 k( 284) = ( 0.5000000 0.2068420 0.5697097), wk = 0.0026810 k( 285) = ( 0.5000000 0.1920675 0.5697097), wk = 0.0026810 k( 286) = ( 0.5000000 0.1772931 0.5697097), wk = 0.0026810 k( 287) = ( 0.5000000 0.1625187 0.5697097), wk = 0.0026810 k( 288) = ( 0.5000000 0.1477443 0.5697097), wk = 0.0026810 k( 289) = ( 0.5000000 0.1329698 0.5697097), wk = 0.0026810 k( 290) = ( 0.5000000 0.1181954 0.5697097), wk = 0.0026810 k( 291) = ( 0.5000000 0.1034210 0.5697097), wk = 0.0026810 k( 292) = ( 0.5000000 0.0886466 0.5697097), wk = 0.0026810 k( 293) = ( 0.5000000 0.0738721 0.5697097), wk = 0.0026810 k( 294) = ( 0.5000000 0.0590977 0.5697097), wk = 0.0026810 k( 295) = ( 0.5000000 0.0443233 0.5697097), wk = 0.0026810 k( 296) = ( 0.5000000 0.0295489 0.5697097), wk = 0.0026810 k( 297) = ( 0.5000000 0.0147744 0.5697097), wk = 0.0026810 k( 298) = ( 0.5000000 -0.0000000 0.5697097), wk = 0.0026810 k( 299) = ( 0.5000000 -0.0000000 0.5697097), wk = 0.0026810 k( 300) = ( 0.5000000 -0.0000000 0.5551018), wk = 0.0026810 k( 301) = ( 0.5000000 -0.0000000 0.5404938), wk = 0.0026810 k( 302) = ( 0.5000000 -0.0000000 0.5258859), wk = 0.0026810 k( 303) = ( 0.5000000 -0.0000000 0.5112780), wk = 0.0026810 k( 304) = ( 0.5000000 -0.0000000 0.4966700), wk = 0.0026810 k( 305) = ( 0.5000000 -0.0000000 0.4820621), wk = 0.0026810 k( 306) = ( 0.5000000 -0.0000000 0.4674541), wk = 0.0026810 k( 307) = ( 0.5000000 -0.0000000 0.4528462), wk = 0.0026810 k( 308) = ( 0.5000000 -0.0000000 0.4382382), wk = 0.0026810 k( 309) = ( 0.5000000 -0.0000000 0.4236303), wk = 0.0026810 k( 310) = ( 0.5000000 -0.0000000 0.4090224), wk = 0.0026810 k( 311) = ( 0.5000000 -0.0000000 0.3944144), wk = 0.0026810 k( 312) = ( 0.5000000 -0.0000000 0.3798065), wk = 0.0026810 k( 313) = ( 0.5000000 -0.0000000 0.3651985), wk = 0.0026810 k( 314) = ( 0.5000000 -0.0000000 0.3505906), wk = 0.0026810 k( 315) = ( 0.5000000 -0.0000000 0.3359827), wk = 0.0026810 k( 316) = ( 0.5000000 -0.0000000 0.3213747), wk = 0.0026810 k( 317) = ( 0.5000000 -0.0000000 0.3067668), wk = 0.0026810 k( 318) = ( 0.5000000 -0.0000000 0.2921588), wk = 0.0026810 k( 319) = ( 0.5000000 -0.0000000 0.2775509), wk = 0.0026810 k( 320) = ( 0.5000000 -0.0000000 0.2629429), wk = 0.0026810 k( 321) = ( 0.5000000 -0.0000000 0.2483350), wk = 0.0026810 k( 322) = ( 0.5000000 -0.0000000 0.2337271), wk = 0.0026810 k( 323) = ( 0.5000000 -0.0000000 0.2191191), wk = 0.0026810 k( 324) = ( 0.5000000 -0.0000000 0.2045112), wk = 0.0026810 k( 325) = ( 0.5000000 -0.0000000 0.1899032), wk = 0.0026810 k( 326) = ( 0.5000000 -0.0000000 0.1752953), wk = 0.0026810 k( 327) = ( 0.5000000 -0.0000000 0.1606874), wk = 0.0026810 k( 328) = ( 0.5000000 -0.0000000 0.1460794), wk = 0.0026810 k( 329) = ( 0.5000000 -0.0000000 0.1314715), wk = 0.0026810 k( 330) = ( 0.5000000 -0.0000000 0.1168635), wk = 0.0026810 k( 331) = ( 0.5000000 -0.0000000 0.1022556), wk = 0.0026810 k( 332) = ( 0.5000000 -0.0000000 0.0876477), wk = 0.0026810 k( 333) = ( 0.5000000 -0.0000000 0.0730397), wk = 0.0026810 k( 334) = ( 0.5000000 -0.0000000 0.0584318), wk = 0.0026810 k( 335) = ( 0.5000000 -0.0000000 0.0438238), wk = 0.0026810 k( 336) = ( 0.5000000 -0.0000000 0.0292159), wk = 0.0026810 k( 337) = ( 0.5000000 -0.0000000 0.0146079), wk = 0.0026810 k( 338) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026810 k( 339) = ( 0.0000000 0.0000000 0.5697097), wk = 0.0026810 k( 340) = ( 0.0147059 -0.0000000 0.5697097), wk = 0.0026810 k( 341) = ( 0.0294118 -0.0000000 0.5697097), wk = 0.0026810 k( 342) = ( 0.0441177 -0.0000000 0.5697097), wk = 0.0026810 k( 343) = ( 0.0588235 -0.0000000 0.5697097), wk = 0.0026810 k( 344) = ( 0.0735294 -0.0000000 0.5697097), wk = 0.0026810 k( 345) = ( 0.0882353 -0.0000000 0.5697097), wk = 0.0026810 k( 346) = ( 0.1029412 -0.0000000 0.5697097), wk = 0.0026810 k( 347) = ( 0.1176471 -0.0000000 0.5697097), wk = 0.0026810 k( 348) = ( 0.1323529 -0.0000000 0.5697097), wk = 0.0026810 k( 349) = ( 0.1470588 -0.0000000 0.5697097), wk = 0.0026810 k( 350) = ( 0.1617647 -0.0000000 0.5697097), wk = 0.0026810 k( 351) = ( 0.1764706 -0.0000000 0.5697097), wk = 0.0026810 k( 352) = ( 0.1911765 -0.0000000 0.5697097), wk = 0.0026810 k( 353) = ( 0.2058823 -0.0000000 0.5697097), wk = 0.0026810 k( 354) = ( 0.2205882 -0.0000000 0.5697097), wk = 0.0026810 k( 355) = ( 0.2352941 -0.0000000 0.5697097), wk = 0.0026810 k( 356) = ( 0.2500000 -0.0000000 0.5697097), wk = 0.0026810 k( 357) = ( 0.2647059 -0.0000000 0.5697097), wk = 0.0026810 k( 358) = ( 0.2794118 -0.0000000 0.5697097), wk = 0.0026810 k( 359) = ( 0.2941177 -0.0000000 0.5697097), wk = 0.0026810 k( 360) = ( 0.3088235 -0.0000000 0.5697097), wk = 0.0026810 k( 361) = ( 0.3235294 -0.0000000 0.5697097), wk = 0.0026810 k( 362) = ( 0.3382353 -0.0000000 0.5697097), wk = 0.0026810 k( 363) = ( 0.3529412 -0.0000000 0.5697097), wk = 0.0026810 k( 364) = ( 0.3676471 -0.0000000 0.5697097), wk = 0.0026810 k( 365) = ( 0.3823529 -0.0000000 0.5697097), wk = 0.0026810 k( 366) = ( 0.3970588 -0.0000000 0.5697097), wk = 0.0026810 k( 367) = ( 0.4117647 -0.0000000 0.5697097), wk = 0.0026810 k( 368) = ( 0.4264706 -0.0000000 0.5697097), wk = 0.0026810 k( 369) = ( 0.4411765 -0.0000000 0.5697097), wk = 0.0026810 k( 370) = ( 0.4558823 -0.0000000 0.5697097), wk = 0.0026810 k( 371) = ( 0.4705882 -0.0000000 0.5697097), wk = 0.0026810 k( 372) = ( 0.4852941 -0.0000000 0.5697097), wk = 0.0026810 k( 373) = ( 0.5000000 -0.0000000 0.5697097), wk = 0.0026810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0026810 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0026810 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026810 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0026810 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0026810 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026810 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0026810 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0026810 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026810 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0026810 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0026810 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026810 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026810 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0026810 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026810 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0026810 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0026810 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026810 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0026810 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0026810 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026810 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0026810 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0026810 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026810 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0026810 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026810 k( 28) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0026810 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0026810 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0026810 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026810 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0026810 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0026810 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026810 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0026810 k( 36) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0026810 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026810 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0026810 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0026810 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 42) = ( 0.0000000 0.0090919 0.5016381), wk = 0.0026810 k( 43) = ( 0.0000000 0.0181839 0.5032761), wk = 0.0026810 k( 44) = ( 0.0000000 0.0272759 0.5049142), wk = 0.0026810 k( 45) = ( 0.0000000 0.0363678 0.5065523), wk = 0.0026810 k( 46) = ( 0.0000000 0.0454598 0.5081903), wk = 0.0026810 k( 47) = ( 0.0000000 0.0545517 0.5098284), wk = 0.0026810 k( 48) = ( 0.0000000 0.0636437 0.5114665), wk = 0.0026810 k( 49) = ( 0.0000000 0.0727356 0.5131045), wk = 0.0026810 k( 50) = ( 0.0000000 0.0818276 0.5147426), wk = 0.0026810 k( 51) = ( 0.0000000 0.0909195 0.5163807), wk = 0.0026810 k( 52) = ( 0.0000000 0.1000115 0.5180187), wk = 0.0026810 k( 53) = ( 0.0000000 0.1091035 0.5196568), wk = 0.0026810 k( 54) = ( 0.0000000 0.1181954 0.5212949), wk = 0.0026810 k( 55) = ( 0.0000000 0.1272874 0.5229329), wk = 0.0026810 k( 56) = ( 0.0000000 0.1363793 0.5245710), wk = 0.0026810 k( 57) = ( 0.0000000 0.1454713 0.5262091), wk = 0.0026810 k( 58) = ( 0.0000000 0.1545632 0.5278471), wk = 0.0026810 k( 59) = ( 0.0000000 0.1636552 0.5294852), wk = 0.0026810 k( 60) = ( 0.0000000 0.1727471 0.5311233), wk = 0.0026810 k( 61) = ( 0.0000000 0.1818391 0.5327613), wk = 0.0026810 k( 62) = ( 0.0000000 0.1909310 0.5343994), wk = 0.0026810 k( 63) = ( 0.0000000 0.2000230 0.5360375), wk = 0.0026810 k( 64) = ( 0.0000000 0.2091149 0.5376755), wk = 0.0026810 k( 65) = ( 0.0000000 0.2182069 0.5393136), wk = 0.0026810 k( 66) = ( 0.0000000 0.2272989 0.5409516), wk = 0.0026810 k( 67) = ( 0.0000000 0.2363908 0.5425897), wk = 0.0026810 k( 68) = ( 0.0000000 0.2454828 0.5442278), wk = 0.0026810 k( 69) = ( 0.0000000 0.2545747 0.5458658), wk = 0.0026810 k( 70) = ( 0.0000000 0.2636667 0.5475039), wk = 0.0026810 k( 71) = ( 0.0000000 0.2727586 0.5491420), wk = 0.0026810 k( 72) = ( 0.0000000 0.2818506 0.5507800), wk = 0.0026810 k( 73) = ( 0.0000000 0.2909425 0.5524181), wk = 0.0026810 k( 74) = ( 0.0000000 0.3000345 0.5540562), wk = 0.0026810 k( 75) = ( 0.0000000 0.3091264 0.5556942), wk = 0.0026810 k( 76) = ( 0.0000000 0.3182184 0.5573323), wk = 0.0026810 k( 77) = ( 0.0000000 0.3273104 0.5589704), wk = 0.0026810 k( 78) = ( 0.0000000 0.3364023 0.5606084), wk = 0.0026810 k( 79) = ( 0.0000000 0.3454943 0.5622465), wk = 0.0026810 k( 80) = ( 0.0000000 0.3545862 0.5638846), wk = 0.0026810 k( 81) = ( 0.0000000 0.3636782 0.5655226), wk = 0.0026810 k( 82) = ( 0.0000000 0.3727701 0.5671607), wk = 0.0026810 k( 83) = ( 0.0000000 0.3818621 0.5687988), wk = 0.0026810 k( 84) = ( 0.0000000 0.3909540 0.5704368), wk = 0.0026810 k( 85) = ( 0.0000000 0.4000460 0.5720749), wk = 0.0026810 k( 86) = ( 0.0000000 0.4091379 0.5737130), wk = 0.0026810 k( 87) = ( 0.0000000 0.4182299 0.5753510), wk = 0.0026810 k( 88) = ( 0.0000000 0.4273219 0.5769891), wk = 0.0026810 k( 89) = ( 0.0000000 0.4364138 0.5786272), wk = 0.0026810 k( 90) = ( 0.0000000 0.4455058 0.5802652), wk = 0.0026810 k( 91) = ( 0.0000000 0.4545977 0.5819033), wk = 0.0026810 k( 92) = ( 0.0000000 0.4636897 0.5835413), wk = 0.0026810 k( 93) = ( 0.0000000 0.4636897 0.5835413), wk = 0.0026810 k( 94) = ( 0.0000000 0.4682285 0.5730987), wk = 0.0026810 k( 95) = ( 0.0000000 0.4727673 0.5626560), wk = 0.0026810 k( 96) = ( 0.0000000 0.4773060 0.5522134), wk = 0.0026810 k( 97) = ( 0.0000000 0.4818448 0.5417707), wk = 0.0026810 k( 98) = ( 0.0000000 0.4863836 0.5313280), wk = 0.0026810 k( 99) = ( 0.0000000 0.4909224 0.5208853), wk = 0.0026810 k( 100) = ( 0.0000000 0.4954612 0.5104427), wk = 0.0026810 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 103) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0026810 k( 104) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0026810 k( 105) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0026810 k( 106) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0026810 k( 107) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0026810 k( 108) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0026810 k( 109) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0026810 k( 110) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0026810 k( 111) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0026810 k( 112) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0026810 k( 113) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0026810 k( 114) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0026810 k( 115) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0026810 k( 116) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0026810 k( 117) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0026810 k( 118) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0026810 k( 119) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026810 k( 120) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0026810 k( 121) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0026810 k( 122) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0026810 k( 123) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0026810 k( 124) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0026810 k( 125) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0026810 k( 126) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0026810 k( 127) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0026810 k( 128) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0026810 k( 129) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0026810 k( 130) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0026810 k( 131) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0026810 k( 132) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0026810 k( 133) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0026810 k( 134) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0026810 k( 135) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0026810 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 138) = ( 0.5000000 0.5045388 0.4895573), wk = 0.0026810 k( 139) = ( 0.5000000 0.5090776 0.4791147), wk = 0.0026810 k( 140) = ( 0.5000000 0.5136164 0.4686720), wk = 0.0026810 k( 141) = ( 0.5000000 0.5181552 0.4582293), wk = 0.0026810 k( 142) = ( 0.5000000 0.5226940 0.4477867), wk = 0.0026810 k( 143) = ( 0.5000000 0.5272328 0.4373440), wk = 0.0026810 k( 144) = ( 0.5000000 0.5317715 0.4269013), wk = 0.0026810 k( 145) = ( 0.5000000 0.5363103 0.4164586), wk = 0.0026810 k( 146) = ( 0.5000000 0.5363103 0.4164586), wk = 0.0026810 k( 147) = ( 0.5000000 0.5351756 0.4034443), wk = 0.0026810 k( 148) = ( 0.5000000 0.5340409 0.3904300), wk = 0.0026810 k( 149) = ( 0.5000000 0.5329062 0.3774156), wk = 0.0026810 k( 150) = ( 0.5000000 0.5317715 0.3644013), wk = 0.0026810 k( 151) = ( 0.5000000 0.5306369 0.3513870), wk = 0.0026810 k( 152) = ( 0.5000000 0.5295022 0.3383727), wk = 0.0026810 k( 153) = ( 0.5000000 0.5283674 0.3253583), wk = 0.0026810 k( 154) = ( 0.5000000 0.5272328 0.3123440), wk = 0.0026810 k( 155) = ( 0.5000000 0.5260980 0.2993297), wk = 0.0026810 k( 156) = ( 0.5000000 0.5249634 0.2863153), wk = 0.0026810 k( 157) = ( 0.5000000 0.5238287 0.2733010), wk = 0.0026810 k( 158) = ( 0.5000000 0.5226940 0.2602867), wk = 0.0026810 k( 159) = ( 0.5000000 0.5215593 0.2472723), wk = 0.0026810 k( 160) = ( 0.5000000 0.5204246 0.2342580), wk = 0.0026810 k( 161) = ( 0.5000000 0.5192899 0.2212437), wk = 0.0026810 k( 162) = ( 0.5000000 0.5181552 0.2082293), wk = 0.0026810 k( 163) = ( 0.5000000 0.5170205 0.1952150), wk = 0.0026810 k( 164) = ( 0.5000000 0.5158858 0.1822007), wk = 0.0026810 k( 165) = ( 0.5000000 0.5147511 0.1691863), wk = 0.0026810 k( 166) = ( 0.5000000 0.5136164 0.1561720), wk = 0.0026810 k( 167) = ( 0.5000000 0.5124817 0.1431577), wk = 0.0026810 k( 168) = ( 0.5000000 0.5113470 0.1301433), wk = 0.0026810 k( 169) = ( 0.5000000 0.5102123 0.1171290), wk = 0.0026810 k( 170) = ( 0.5000000 0.5090776 0.1041147), wk = 0.0026810 k( 171) = ( 0.5000000 0.5079429 0.0911003), wk = 0.0026810 k( 172) = ( 0.5000000 0.5068082 0.0780860), wk = 0.0026810 k( 173) = ( 0.5000000 0.5056735 0.0650717), wk = 0.0026810 k( 174) = ( 0.5000000 0.5045388 0.0520573), wk = 0.0026810 k( 175) = ( 0.5000000 0.5034041 0.0390430), wk = 0.0026810 k( 176) = ( 0.5000000 0.5022694 0.0260287), wk = 0.0026810 k( 177) = ( 0.5000000 0.5011347 0.0130143), wk = 0.0026810 k( 178) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026810 k( 179) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026810 k( 180) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0026810 k( 181) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0026810 k( 182) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0026810 k( 183) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0026810 k( 184) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0026810 k( 185) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0026810 k( 186) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0026810 k( 187) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0026810 k( 188) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0026810 k( 189) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0026810 k( 190) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0026810 k( 191) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0026810 k( 192) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0026810 k( 193) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0026810 k( 194) = ( 0.2794118 0.5000000 0.0000000), wk = 0.0026810 k( 195) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0026810 k( 196) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026810 k( 197) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0026810 k( 198) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0026810 k( 199) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0026810 k( 200) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0026810 k( 201) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0026810 k( 202) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0026810 k( 203) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0026810 k( 204) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0026810 k( 205) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0026810 k( 206) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0026810 k( 207) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0026810 k( 208) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0026810 k( 209) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0026810 k( 210) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0026810 k( 211) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0026810 k( 212) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0026810 k( 213) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026810 k( 214) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026810 k( 215) = ( 0.0000000 0.5011347 0.0130143), wk = 0.0026810 k( 216) = ( 0.0000000 0.5022694 0.0260287), wk = 0.0026810 k( 217) = ( 0.0000000 0.5034041 0.0390430), wk = 0.0026810 k( 218) = ( 0.0000000 0.5045388 0.0520573), wk = 0.0026810 k( 219) = ( 0.0000000 0.5056735 0.0650717), wk = 0.0026810 k( 220) = ( 0.0000000 0.5068082 0.0780860), wk = 0.0026810 k( 221) = ( 0.0000000 0.5079429 0.0911003), wk = 0.0026810 k( 222) = ( 0.0000000 0.5090776 0.1041147), wk = 0.0026810 k( 223) = ( 0.0000000 0.5102123 0.1171290), wk = 0.0026810 k( 224) = ( 0.0000000 0.5113470 0.1301433), wk = 0.0026810 k( 225) = ( 0.0000000 0.5124817 0.1431577), wk = 0.0026810 k( 226) = ( 0.0000000 0.5136164 0.1561720), wk = 0.0026810 k( 227) = ( 0.0000000 0.5147511 0.1691863), wk = 0.0026810 k( 228) = ( 0.0000000 0.5158858 0.1822007), wk = 0.0026810 k( 229) = ( 0.0000000 0.5170205 0.1952150), wk = 0.0026810 k( 230) = ( 0.0000000 0.5181552 0.2082293), wk = 0.0026810 k( 231) = ( 0.0000000 0.5192899 0.2212437), wk = 0.0026810 k( 232) = ( 0.0000000 0.5204246 0.2342580), wk = 0.0026810 k( 233) = ( 0.0000000 0.5215593 0.2472723), wk = 0.0026810 k( 234) = ( 0.0000000 0.5226940 0.2602867), wk = 0.0026810 k( 235) = ( 0.0000000 0.5238287 0.2733010), wk = 0.0026810 k( 236) = ( 0.0000000 0.5249634 0.2863153), wk = 0.0026810 k( 237) = ( 0.0000000 0.5260980 0.2993297), wk = 0.0026810 k( 238) = ( 0.0000000 0.5272328 0.3123440), wk = 0.0026810 k( 239) = ( 0.0000000 0.5283674 0.3253583), wk = 0.0026810 k( 240) = ( 0.0000000 0.5295022 0.3383726), wk = 0.0026810 k( 241) = ( 0.0000000 0.5306369 0.3513870), wk = 0.0026810 k( 242) = ( 0.0000000 0.5317715 0.3644013), wk = 0.0026810 k( 243) = ( 0.0000000 0.5329062 0.3774157), wk = 0.0026810 k( 244) = ( 0.0000000 0.5340409 0.3904300), wk = 0.0026810 k( 245) = ( 0.0000000 0.5351756 0.4034443), wk = 0.0026810 k( 246) = ( 0.0000000 0.5363103 0.4164586), wk = 0.0026810 k( 247) = ( 0.5000000 0.4636897 0.5835414), wk = 0.0026810 k( 248) = ( 0.5000000 0.4545977 0.5819033), wk = 0.0026810 k( 249) = ( 0.5000000 0.4455058 0.5802652), wk = 0.0026810 k( 250) = ( 0.5000000 0.4364138 0.5786272), wk = 0.0026810 k( 251) = ( 0.5000000 0.4273219 0.5769891), wk = 0.0026810 k( 252) = ( 0.5000000 0.4182299 0.5753510), wk = 0.0026810 k( 253) = ( 0.5000000 0.4091379 0.5737130), wk = 0.0026810 k( 254) = ( 0.5000000 0.4000460 0.5720749), wk = 0.0026810 k( 255) = ( 0.5000000 0.3909540 0.5704368), wk = 0.0026810 k( 256) = ( 0.5000000 0.3818621 0.5687988), wk = 0.0026810 k( 257) = ( 0.5000000 0.3727701 0.5671607), wk = 0.0026810 k( 258) = ( 0.5000000 0.3636782 0.5655226), wk = 0.0026810 k( 259) = ( 0.5000000 0.3545862 0.5638846), wk = 0.0026810 k( 260) = ( 0.5000000 0.3454943 0.5622465), wk = 0.0026810 k( 261) = ( 0.5000000 0.3364023 0.5606084), wk = 0.0026810 k( 262) = ( 0.5000000 0.3273104 0.5589704), wk = 0.0026810 k( 263) = ( 0.5000000 0.3182184 0.5573323), wk = 0.0026810 k( 264) = ( 0.5000000 0.3091264 0.5556942), wk = 0.0026810 k( 265) = ( 0.5000000 0.3000345 0.5540562), wk = 0.0026810 k( 266) = ( 0.5000000 0.2909425 0.5524181), wk = 0.0026810 k( 267) = ( 0.5000000 0.2818506 0.5507800), wk = 0.0026810 k( 268) = ( 0.5000000 0.2727586 0.5491420), wk = 0.0026810 k( 269) = ( 0.5000000 0.2636667 0.5475039), wk = 0.0026810 k( 270) = ( 0.5000000 0.2545747 0.5458658), wk = 0.0026810 k( 271) = ( 0.5000000 0.2454828 0.5442278), wk = 0.0026810 k( 272) = ( 0.5000000 0.2363908 0.5425897), wk = 0.0026810 k( 273) = ( 0.5000000 0.2272988 0.5409516), wk = 0.0026810 k( 274) = ( 0.5000000 0.2182069 0.5393136), wk = 0.0026810 k( 275) = ( 0.5000000 0.2091149 0.5376755), wk = 0.0026810 k( 276) = ( 0.5000000 0.2000230 0.5360375), wk = 0.0026810 k( 277) = ( 0.5000000 0.1909310 0.5343994), wk = 0.0026810 k( 278) = ( 0.5000000 0.1818391 0.5327613), wk = 0.0026810 k( 279) = ( 0.5000000 0.1727471 0.5311233), wk = 0.0026810 k( 280) = ( 0.5000000 0.1636552 0.5294852), wk = 0.0026810 k( 281) = ( 0.5000000 0.1545632 0.5278471), wk = 0.0026810 k( 282) = ( 0.5000000 0.1454713 0.5262090), wk = 0.0026810 k( 283) = ( 0.5000000 0.1363793 0.5245710), wk = 0.0026810 k( 284) = ( 0.5000000 0.1272874 0.5229329), wk = 0.0026810 k( 285) = ( 0.5000000 0.1181954 0.5212949), wk = 0.0026810 k( 286) = ( 0.5000000 0.1091034 0.5196568), wk = 0.0026810 k( 287) = ( 0.5000000 0.1000115 0.5180187), wk = 0.0026810 k( 288) = ( 0.5000000 0.0909195 0.5163807), wk = 0.0026810 k( 289) = ( 0.5000000 0.0818276 0.5147426), wk = 0.0026810 k( 290) = ( 0.5000000 0.0727356 0.5131045), wk = 0.0026810 k( 291) = ( 0.5000000 0.0636437 0.5114665), wk = 0.0026810 k( 292) = ( 0.5000000 0.0545517 0.5098284), wk = 0.0026810 k( 293) = ( 0.5000000 0.0454598 0.5081903), wk = 0.0026810 k( 294) = ( 0.5000000 0.0363678 0.5065523), wk = 0.0026810 k( 295) = ( 0.5000000 0.0272759 0.5049142), wk = 0.0026810 k( 296) = ( 0.5000000 0.0181839 0.5032761), wk = 0.0026810 k( 297) = ( 0.5000000 0.0090919 0.5016381), wk = 0.0026810 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 k( 300) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0026810 k( 301) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0026810 k( 302) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0026810 k( 303) = ( 0.5000000 0.0000000 0.4487179), wk = 0.0026810 k( 304) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0026810 k( 305) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0026810 k( 306) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0026810 k( 307) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0026810 k( 308) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0026810 k( 309) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0026810 k( 310) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0026810 k( 311) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0026810 k( 312) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026810 k( 313) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0026810 k( 314) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0026810 k( 315) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0026810 k( 316) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0026810 k( 317) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0026810 k( 318) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0026810 k( 319) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0026810 k( 320) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0026810 k( 321) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0026810 k( 322) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0026810 k( 323) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0026810 k( 324) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0026810 k( 325) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026810 k( 326) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0026810 k( 327) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0026810 k( 328) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0026810 k( 329) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0026810 k( 330) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0026810 k( 331) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0026810 k( 332) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0026810 k( 333) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0026810 k( 334) = ( 0.5000000 0.0000000 0.0512821), wk = 0.0026810 k( 335) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0026810 k( 336) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0026810 k( 337) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0026810 k( 338) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026810 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 340) = ( 0.0147059 0.0000000 0.5000000), wk = 0.0026810 k( 341) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0026810 k( 342) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0026810 k( 343) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0026810 k( 344) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0026810 k( 345) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0026810 k( 346) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0026810 k( 347) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0026810 k( 348) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0026810 k( 349) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0026810 k( 350) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0026810 k( 351) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0026810 k( 352) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0026810 k( 353) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0026810 k( 354) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0026810 k( 355) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0026810 k( 356) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026810 k( 357) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0026810 k( 358) = ( 0.2794118 0.0000000 0.5000000), wk = 0.0026810 k( 359) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0026810 k( 360) = ( 0.3088235 0.0000000 0.5000000), wk = 0.0026810 k( 361) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0026810 k( 362) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0026810 k( 363) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0026810 k( 364) = ( 0.3676471 0.0000000 0.5000000), wk = 0.0026810 k( 365) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0026810 k( 366) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0026810 k( 367) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0026810 k( 368) = ( 0.4264706 0.0000000 0.5000000), wk = 0.0026810 k( 369) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0026810 k( 370) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0026810 k( 371) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0026810 k( 372) = ( 0.4852941 0.0000000 0.5000000), wk = 0.0026810 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 Dense grid: 36105 G-vectors FFT dimensions: ( 54, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 250, 52) NL pseudopotentials 0.26 Mb ( 125, 136) Each V/rho on FFT grid 0.05 Mb ( 3456) Each G-vector array 0.01 Mb ( 1004) G-vector shells 0.01 Mb ( 1004) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 250, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiNi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 11.0 secs Computing kpt #: 12 total cpu time spent up to now is 11.9 secs Computing kpt #: 13 total cpu time spent up to now is 12.7 secs Computing kpt #: 14 total cpu time spent up to now is 13.6 secs Computing kpt #: 15 total cpu time spent up to now is 14.5 secs Computing kpt #: 16 total cpu time spent up to now is 15.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.2 secs Computing kpt #: 18 total cpu time spent up to now is 17.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.9 secs Computing kpt #: 21 total cpu time spent up to now is 19.7 secs Computing kpt #: 22 total cpu time spent up to now is 20.6 secs Computing kpt #: 23 total cpu time spent up to now is 21.5 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.3 secs Computing kpt #: 26 total cpu time spent up to now is 24.3 secs Computing kpt #: 27 total cpu time spent up to now is 25.2 secs Computing kpt #: 28 total cpu time spent up to now is 26.1 secs Computing kpt #: 29 total cpu time spent up to now is 27.0 secs Computing kpt #: 30 total cpu time spent up to now is 27.8 secs Computing kpt #: 31 total cpu time spent up to now is 28.7 secs Computing kpt #: 32 total cpu time spent up to now is 29.5 secs Computing kpt #: 33 total cpu time spent up to now is 30.4 secs Computing kpt #: 34 total cpu time spent up to now is 31.2 secs Computing kpt #: 35 total cpu time spent up to now is 32.0 secs Computing kpt #: 36 total cpu time spent up to now is 33.0 secs Computing kpt #: 37 total cpu time spent up to now is 33.8 secs Computing kpt #: 38 total cpu time spent up to now is 34.7 secs Computing kpt #: 39 total cpu time spent up to now is 35.6 secs Computing kpt #: 40 total cpu time spent up to now is 36.4 secs Computing kpt #: 41 total cpu time spent up to now is 37.3 secs Computing kpt #: 42 total cpu time spent up to now is 38.2 secs Computing kpt #: 43 total cpu time spent up to now is 39.0 secs Computing kpt #: 44 total cpu time spent up to now is 39.9 secs Computing kpt #: 45 total cpu time spent up to now is 40.7 secs Computing kpt #: 46 total cpu time spent up to now is 41.6 secs Computing kpt #: 47 total cpu time spent up to now is 42.4 secs Computing kpt #: 48 total cpu time spent up to now is 43.3 secs Computing kpt #: 49 total cpu time spent up to now is 44.1 secs Computing kpt #: 50 total cpu time spent up to now is 44.9 secs Computing kpt #: 51 total cpu time spent up to now is 45.8 secs Computing kpt #: 52 total cpu time spent up to now is 46.6 secs Computing kpt #: 53 total cpu time spent up to now is 47.5 secs Computing kpt #: 54 total cpu time spent up to now is 48.4 secs Computing kpt #: 55 total cpu time spent up to now is 49.3 secs Computing kpt #: 56 total cpu time spent up to now is 50.1 secs Computing kpt #: 57 total cpu time spent up to now is 51.0 secs Computing kpt #: 58 total cpu time spent up to now is 51.9 secs Computing kpt #: 59 total cpu time spent up to now is 52.8 secs Computing kpt #: 60 total cpu time spent up to now is 53.7 secs Computing kpt #: 61 total cpu time spent up to now is 54.5 secs Computing kpt #: 62 total cpu time spent up to now is 55.4 secs Computing kpt #: 63 total cpu time spent up to now is 56.3 secs Computing kpt #: 64 total cpu time spent up to now is 57.1 secs Computing kpt #: 65 total cpu time spent up to now is 58.0 secs Computing kpt #: 66 total cpu time spent up to now is 58.9 secs Computing kpt #: 67 total cpu time spent up to now is 59.7 secs Computing kpt #: 68 total cpu time spent up to now is 60.6 secs Computing kpt #: 69 total cpu time spent up to now is 61.4 secs Computing kpt #: 70 total cpu time spent up to now is 62.2 secs Computing kpt #: 71 total cpu time spent up to now is 63.1 secs Computing kpt #: 72 total cpu time spent up to now is 63.9 secs Computing kpt #: 73 total cpu time spent up to now is 64.7 secs Computing kpt #: 74 total cpu time spent up to now is 65.6 secs Computing kpt #: 75 total cpu time spent up to now is 66.4 secs Computing kpt #: 76 total cpu time spent up to now is 67.3 secs Computing kpt #: 77 total cpu time spent up to now is 68.1 secs Computing kpt #: 78 total cpu time spent up to now is 69.0 secs Computing kpt #: 79 total cpu time spent up to now is 69.8 secs Computing kpt #: 80 total cpu time spent up to now is 70.7 secs Computing kpt #: 81 total cpu time spent up to now is 71.6 secs Computing kpt #: 82 total cpu time spent up to now is 72.4 secs Computing kpt #: 83 total cpu time spent up to now is 73.3 secs Computing kpt #: 84 total cpu time spent up to now is 74.2 secs Computing kpt #: 85 total cpu time spent up to now is 75.0 secs Computing kpt #: 86 total cpu time spent up to now is 75.9 secs Computing kpt #: 87 total cpu time spent up to now is 76.7 secs Computing kpt #: 88 total cpu time spent up to now is 77.6 secs Computing kpt #: 89 total cpu time spent up to now is 78.4 secs Computing kpt #: 90 total cpu time spent up to now is 79.3 secs Computing kpt #: 91 total cpu time spent up to now is 80.1 secs Computing kpt #: 92 total cpu time spent up to now is 81.0 secs Computing kpt #: 93 total cpu time spent up to now is 81.9 secs Computing kpt #: 94 total cpu time spent up to now is 82.7 secs Computing kpt #: 95 total cpu time spent up to now is 83.6 secs Computing kpt #: 96 total cpu time spent up to now is 84.5 secs Computing kpt #: 97 total cpu time spent up to now is 85.3 secs Computing kpt #: 98 total cpu time spent up to now is 86.2 secs Computing kpt #: 99 total cpu time spent up to now is 87.1 secs Computing kpt #: 100 total cpu time spent up to now is 87.9 secs Computing kpt #: 101 total cpu time spent up to now is 88.8 secs Computing kpt #: 102 total cpu time spent up to now is 89.7 secs Computing kpt #: 103 total cpu time spent up to now is 90.5 secs Computing kpt #: 104 total cpu time spent up to now is 91.4 secs Computing kpt #: 105 total cpu time spent up to now is 92.3 secs Computing kpt #: 106 total cpu time spent up to now is 93.2 secs Computing kpt #: 107 total cpu time spent up to now is 94.1 secs Computing kpt #: 108 total cpu time spent up to now is 95.0 secs Computing kpt #: 109 total cpu time spent up to now is 95.8 secs Computing kpt #: 110 total cpu time spent up to now is 96.7 secs Computing kpt #: 111 total cpu time spent up to now is 97.6 secs Computing kpt #: 112 total cpu time spent up to now is 98.5 secs Computing kpt #: 113 total cpu time spent up to now is 99.3 secs Computing kpt #: 114 total cpu time spent up to now is 100.2 secs Computing kpt #: 115 total cpu time spent up to now is 101.0 secs Computing kpt #: 116 total cpu time spent up to now is 101.9 secs Computing kpt #: 117 total cpu time spent up to now is 102.7 secs Computing kpt #: 118 total cpu time spent up to now is 103.6 secs Computing kpt #: 119 total cpu time spent up to now is 104.6 secs Computing kpt #: 120 total cpu time spent up to now is 105.4 secs Computing kpt #: 121 total cpu time spent up to now is 106.3 secs Computing kpt #: 122 total cpu time spent up to now is 107.3 secs Computing kpt #: 123 total cpu time spent up to now is 108.2 secs Computing kpt #: 124 total cpu time spent up to now is 109.0 secs Computing kpt #: 125 total cpu time spent up to now is 109.9 secs Computing kpt #: 126 total cpu time spent up to now is 110.7 secs Computing kpt #: 127 total cpu time spent up to now is 111.6 secs Computing kpt #: 128 total cpu time spent up to now is 112.4 secs Computing kpt #: 129 total cpu time spent up to now is 113.3 secs Computing kpt #: 130 total cpu time spent up to now is 114.1 secs Computing kpt #: 131 total cpu time spent up to now is 115.0 secs Computing kpt #: 132 total cpu time spent up to now is 115.9 secs Computing kpt #: 133 total cpu time spent up to now is 116.7 secs Computing kpt #: 134 total cpu time spent up to now is 117.6 secs Computing kpt #: 135 total cpu time spent up to now is 118.5 secs Computing kpt #: 136 total cpu time spent up to now is 119.3 secs Computing kpt #: 137 total cpu time spent up to now is 120.2 secs Computing kpt #: 138 total cpu time spent up to now is 121.0 secs Computing kpt #: 139 total cpu time spent up to now is 121.9 secs Computing kpt #: 140 total cpu time spent up to now is 122.7 secs Computing kpt #: 141 total cpu time spent up to now is 123.6 secs Computing kpt #: 142 total cpu time spent up to now is 124.4 secs Computing kpt #: 143 total cpu time spent up to now is 125.3 secs Computing kpt #: 144 total cpu time spent up to now is 126.1 secs Computing kpt #: 145 total cpu time spent up to now is 126.9 secs Computing kpt #: 146 total cpu time spent up to now is 127.8 secs Computing kpt #: 147 total cpu time spent up to now is 128.6 secs Computing kpt #: 148 total cpu time spent up to now is 129.4 secs Computing kpt #: 149 total cpu time spent up to now is 130.2 secs Computing kpt #: 150 total cpu time spent up to now is 131.1 secs Computing kpt #: 151 total cpu time spent up to now is 131.9 secs Computing kpt #: 152 total cpu time spent up to now is 132.7 secs Computing kpt #: 153 total cpu time spent up to now is 133.5 secs Computing kpt #: 154 total cpu time spent up to now is 134.3 secs Computing kpt #: 155 total cpu time spent up to now is 135.1 secs Computing kpt #: 156 total cpu time spent up to now is 136.0 secs Computing kpt #: 157 total cpu time spent up to now is 136.8 secs Computing kpt #: 158 total cpu time spent up to now is 137.6 secs Computing kpt #: 159 total cpu time spent up to now is 138.4 secs Computing kpt #: 160 total cpu time spent up to now is 139.2 secs Computing kpt #: 161 total cpu time spent up to now is 140.0 secs Computing kpt #: 162 total cpu time spent up to now is 140.7 secs Computing kpt #: 163 total cpu time spent up to now is 141.5 secs Computing kpt #: 164 total cpu time spent up to now is 142.3 secs Computing kpt #: 165 total cpu time spent up to now is 143.2 secs Computing kpt #: 166 total cpu time spent up to now is 143.9 secs Computing kpt #: 167 total cpu time spent up to now is 144.7 secs Computing kpt #: 168 total cpu time spent up to now is 145.5 secs Computing kpt #: 169 total cpu time spent up to now is 146.3 secs Computing kpt #: 170 total cpu time spent up to now is 147.1 secs Computing kpt #: 171 total cpu time spent up to now is 147.9 secs Computing kpt #: 172 total cpu time spent up to now is 148.7 secs Computing kpt #: 173 total cpu time spent up to now is 149.5 secs Computing kpt #: 174 total cpu time spent up to now is 150.3 secs Computing kpt #: 175 total cpu time spent up to now is 151.1 secs Computing kpt #: 176 total cpu time spent up to now is 151.9 secs Computing kpt #: 177 total cpu time spent up to now is 152.7 secs Computing kpt #: 178 total cpu time spent up to now is 153.5 secs Computing kpt #: 179 total cpu time spent up to now is 154.3 secs Computing kpt #: 180 total cpu time spent up to now is 155.1 secs Computing kpt #: 181 total cpu time spent up to now is 155.9 secs Computing kpt #: 182 total cpu time spent up to now is 156.7 secs Computing kpt #: 183 total cpu time spent up to now is 157.5 secs Computing kpt #: 184 total cpu time spent up to now is 158.3 secs Computing kpt #: 185 total cpu time spent up to now is 159.0 secs Computing kpt #: 186 total cpu time spent up to now is 159.8 secs Computing kpt #: 187 total cpu time spent up to now is 160.6 secs Computing kpt #: 188 total cpu time spent up to now is 161.4 secs Computing kpt #: 189 total cpu time spent up to now is 162.2 secs Computing kpt #: 190 total cpu time spent up to now is 163.0 secs Computing kpt #: 191 total cpu time spent up to now is 163.8 secs Computing kpt #: 192 total cpu time spent up to now is 164.6 secs Computing kpt #: 193 total cpu time spent up to now is 165.4 secs Computing kpt #: 194 total cpu time spent up to now is 166.2 secs Computing kpt #: 195 total cpu time spent up to now is 167.0 secs Computing kpt #: 196 total cpu time spent up to now is 167.8 secs Computing kpt #: 197 total cpu time spent up to now is 168.6 secs Computing kpt #: 198 total cpu time spent up to now is 169.4 secs Computing kpt #: 199 total cpu time spent up to now is 170.2 secs Computing kpt #: 200 total cpu time spent up to now is 171.0 secs Computing kpt #: 201 total cpu time spent up to now is 171.8 secs Computing kpt #: 202 total cpu time spent up to now is 172.5 secs Computing kpt #: 203 total cpu time spent up to now is 173.3 secs Computing kpt #: 204 total cpu time spent up to now is 174.0 secs Computing kpt #: 205 total cpu time spent up to now is 174.7 secs Computing kpt #: 206 total cpu time spent up to now is 175.4 secs Computing kpt #: 207 total cpu time spent up to now is 176.2 secs Computing kpt #: 208 total cpu time spent up to now is 176.9 secs Computing kpt #: 209 total cpu time spent up to now is 177.6 secs Computing kpt #: 210 total cpu time spent up to now is 178.3 secs Computing kpt #: 211 total cpu time spent up to now is 178.9 secs Computing kpt #: 212 total cpu time spent up to now is 179.6 secs Computing kpt #: 213 total cpu time spent up to now is 180.2 secs Computing kpt #: 214 total cpu time spent up to now is 180.9 secs Computing kpt #: 215 total cpu time spent up to now is 181.6 secs Computing kpt #: 216 total cpu time spent up to now is 182.3 secs Computing kpt #: 217 total cpu time spent up to now is 182.9 secs Computing kpt #: 218 total cpu time spent up to now is 183.6 secs Computing kpt #: 219 total cpu time spent up to now is 184.2 secs Computing kpt #: 220 total cpu time spent up to now is 185.0 secs Computing kpt #: 221 total cpu time spent up to now is 185.7 secs Computing kpt #: 222 total cpu time spent up to now is 186.4 secs Computing kpt #: 223 total cpu time spent up to now is 187.1 secs Computing kpt #: 224 total cpu time spent up to now is 187.8 secs Computing kpt #: 225 total cpu time spent up to now is 188.6 secs Computing kpt #: 226 total cpu time spent up to now is 189.4 secs Computing kpt #: 227 total cpu time spent up to now is 190.2 secs Computing kpt #: 228 total cpu time spent up to now is 190.9 secs Computing kpt #: 229 total cpu time spent up to now is 191.8 secs Computing kpt #: 230 total cpu time spent up to now is 192.6 secs Computing kpt #: 231 total cpu time spent up to now is 193.4 secs Computing kpt #: 232 total cpu time spent up to now is 194.2 secs Computing kpt #: 233 total cpu time spent up to now is 195.1 secs Computing kpt #: 234 total cpu time spent up to now is 196.0 secs Computing kpt #: 235 total cpu time spent up to now is 196.9 secs Computing kpt #: 236 total cpu time spent up to now is 197.9 secs Computing kpt #: 237 total cpu time spent up to now is 198.8 secs Computing kpt #: 238 total cpu time spent up to now is 199.7 secs Computing kpt #: 239 total cpu time spent up to now is 200.5 secs Computing kpt #: 240 total cpu time spent up to now is 201.4 secs Computing kpt #: 241 total cpu time spent up to now is 202.3 secs Computing kpt #: 242 total cpu time spent up to now is 203.2 secs Computing kpt #: 243 total cpu time spent up to now is 204.1 secs Computing kpt #: 244 total cpu time spent up to now is 204.9 secs Computing kpt #: 245 total cpu time spent up to now is 205.8 secs Computing kpt #: 246 total cpu time spent up to now is 206.7 secs Computing kpt #: 247 total cpu time spent up to now is 207.5 secs Computing kpt #: 248 total cpu time spent up to now is 208.4 secs Computing kpt #: 249 total cpu time spent up to now is 209.2 secs Computing kpt #: 250 total cpu time spent up to now is 210.0 secs Computing kpt #: 251 total cpu time spent up to now is 210.8 secs Computing kpt #: 252 total cpu time spent up to now is 211.6 secs Computing kpt #: 253 total cpu time spent up to now is 212.4 secs Computing kpt #: 254 total cpu time spent up to now is 213.3 secs Computing kpt #: 255 total cpu time spent up to now is 214.1 secs Computing kpt #: 256 total cpu time spent up to now is 214.9 secs Computing kpt #: 257 total cpu time spent up to now is 215.7 secs Computing kpt #: 258 total cpu time spent up to now is 216.5 secs Computing kpt #: 259 total cpu time spent up to now is 217.3 secs Computing kpt #: 260 total cpu time spent up to now is 218.1 secs Computing kpt #: 261 total cpu time spent up to now is 218.9 secs Computing kpt #: 262 total cpu time spent up to now is 219.7 secs Computing kpt #: 263 total cpu time spent up to now is 220.5 secs Computing kpt #: 264 total cpu time spent up to now is 221.3 secs Computing kpt #: 265 total cpu time spent up to now is 222.1 secs Computing kpt #: 266 total cpu time spent up to now is 222.9 secs Computing kpt #: 267 total cpu time spent up to now is 223.7 secs Computing kpt #: 268 total cpu time spent up to now is 224.5 secs Computing kpt #: 269 total cpu time spent up to now is 225.3 secs Computing kpt #: 270 total cpu time spent up to now is 226.0 secs Computing kpt #: 271 total cpu time spent up to now is 226.8 secs Computing kpt #: 272 total cpu time spent up to now is 227.7 secs Computing kpt #: 273 total cpu time spent up to now is 228.5 secs Computing kpt #: 274 total cpu time spent up to now is 229.3 secs Computing kpt #: 275 total cpu time spent up to now is 230.1 secs Computing kpt #: 276 total cpu time spent up to now is 231.0 secs Computing kpt #: 277 total cpu time spent up to now is 231.8 secs Computing kpt #: 278 total cpu time spent up to now is 232.6 secs Computing kpt #: 279 total cpu time spent up to now is 233.5 secs Computing kpt #: 280 total cpu time spent up to now is 234.3 secs Computing kpt #: 281 total cpu time spent up to now is 235.2 secs Computing kpt #: 282 total cpu time spent up to now is 236.0 secs Computing kpt #: 283 total cpu time spent up to now is 236.8 secs Computing kpt #: 284 total cpu time spent up to now is 237.7 secs Computing kpt #: 285 total cpu time spent up to now is 238.5 secs Computing kpt #: 286 total cpu time spent up to now is 239.4 secs Computing kpt #: 287 total cpu time spent up to now is 240.2 secs Computing kpt #: 288 total cpu time spent up to now is 241.0 secs Computing kpt #: 289 total cpu time spent up to now is 241.9 secs Computing kpt #: 290 total cpu time spent up to now is 242.7 secs Computing kpt #: 291 total cpu time spent up to now is 243.6 secs Computing kpt #: 292 total cpu time spent up to now is 244.4 secs Computing kpt #: 293 total cpu time spent up to now is 245.2 secs Computing kpt #: 294 total cpu time spent up to now is 246.0 secs Computing kpt #: 295 total cpu time spent up to now is 246.8 secs Computing kpt #: 296 total cpu time spent up to now is 247.6 secs Computing kpt #: 297 total cpu time spent up to now is 248.3 secs Computing kpt #: 298 total cpu time spent up to now is 249.1 secs Computing kpt #: 299 total cpu time spent up to now is 249.8 secs Computing kpt #: 300 total cpu time spent up to now is 250.6 secs Computing kpt #: 301 total cpu time spent up to now is 251.5 secs Computing kpt #: 302 total cpu time spent up to now is 252.2 secs Computing kpt #: 303 total cpu time spent up to now is 253.0 secs Computing kpt #: 304 total cpu time spent up to now is 253.8 secs Computing kpt #: 305 total cpu time spent up to now is 254.6 secs Computing kpt #: 306 total cpu time spent up to now is 255.4 secs Computing kpt #: 307 total cpu time spent up to now is 256.2 secs Computing kpt #: 308 total cpu time spent up to now is 257.1 secs Computing kpt #: 309 total cpu time spent up to now is 257.9 secs Computing kpt #: 310 total cpu time spent up to now is 258.7 secs Computing kpt #: 311 total cpu time spent up to now is 259.5 secs Computing kpt #: 312 total cpu time spent up to now is 260.4 secs Computing kpt #: 313 total cpu time spent up to now is 261.2 secs Computing kpt #: 314 total cpu time spent up to now is 262.1 secs Computing kpt #: 315 total cpu time spent up to now is 262.9 secs Computing kpt #: 316 total cpu time spent up to now is 263.7 secs Computing kpt #: 317 total cpu time spent up to now is 264.6 secs Computing kpt #: 318 total cpu time spent up to now is 265.4 secs Computing kpt #: 319 total cpu time spent up to now is 266.3 secs Computing kpt #: 320 total cpu time spent up to now is 267.1 secs Computing kpt #: 321 total cpu time spent up to now is 268.0 secs Computing kpt #: 322 total cpu time spent up to now is 268.8 secs Computing kpt #: 323 total cpu time spent up to now is 269.7 secs Computing kpt #: 324 total cpu time spent up to now is 270.5 secs Computing kpt #: 325 total cpu time spent up to now is 271.4 secs Computing kpt #: 326 total cpu time spent up to now is 272.2 secs Computing kpt #: 327 total cpu time spent up to now is 273.1 secs Computing kpt #: 328 total cpu time spent up to now is 273.9 secs Computing kpt #: 329 total cpu time spent up to now is 274.8 secs Computing kpt #: 330 total cpu time spent up to now is 275.6 secs Computing kpt #: 331 total cpu time spent up to now is 276.5 secs Computing kpt #: 332 total cpu time spent up to now is 277.3 secs Computing kpt #: 333 total cpu time spent up to now is 278.2 secs Computing kpt #: 334 total cpu time spent up to now is 279.0 secs Computing kpt #: 335 total cpu time spent up to now is 279.8 secs Computing kpt #: 336 total cpu time spent up to now is 280.7 secs Computing kpt #: 337 total cpu time spent up to now is 281.5 secs Computing kpt #: 338 total cpu time spent up to now is 282.3 secs Computing kpt #: 339 total cpu time spent up to now is 283.2 secs Computing kpt #: 340 total cpu time spent up to now is 284.1 secs Computing kpt #: 341 total cpu time spent up to now is 285.0 secs Computing kpt #: 342 total cpu time spent up to now is 285.9 secs Computing kpt #: 343 total cpu time spent up to now is 286.7 secs Computing kpt #: 344 total cpu time spent up to now is 287.6 secs Computing kpt #: 345 total cpu time spent up to now is 288.5 secs Computing kpt #: 346 total cpu time spent up to now is 289.4 secs Computing kpt #: 347 total cpu time spent up to now is 290.2 secs Computing kpt #: 348 total cpu time spent up to now is 291.1 secs Computing kpt #: 349 total cpu time spent up to now is 292.0 secs Computing kpt #: 350 total cpu time spent up to now is 292.8 secs Computing kpt #: 351 total cpu time spent up to now is 293.7 secs Computing kpt #: 352 total cpu time spent up to now is 294.5 secs Computing kpt #: 353 total cpu time spent up to now is 295.4 secs Computing kpt #: 354 total cpu time spent up to now is 296.2 secs Computing kpt #: 355 total cpu time spent up to now is 297.1 secs Computing kpt #: 356 total cpu time spent up to now is 297.9 secs Computing kpt #: 357 total cpu time spent up to now is 298.8 secs Computing kpt #: 358 total cpu time spent up to now is 299.6 secs Computing kpt #: 359 total cpu time spent up to now is 300.5 secs Computing kpt #: 360 total cpu time spent up to now is 301.4 secs Computing kpt #: 361 total cpu time spent up to now is 302.2 secs Computing kpt #: 362 total cpu time spent up to now is 303.0 secs Computing kpt #: 363 total cpu time spent up to now is 303.9 secs Computing kpt #: 364 total cpu time spent up to now is 304.8 secs Computing kpt #: 365 total cpu time spent up to now is 305.8 secs Computing kpt #: 366 total cpu time spent up to now is 306.7 secs Computing kpt #: 367 total cpu time spent up to now is 307.5 secs Computing kpt #: 368 total cpu time spent up to now is 308.4 secs Computing kpt #: 369 total cpu time spent up to now is 309.3 secs Computing kpt #: 370 total cpu time spent up to now is 310.1 secs Computing kpt #: 371 total cpu time spent up to now is 311.0 secs Computing kpt #: 372 total cpu time spent up to now is 311.8 secs Computing kpt #: 373 total cpu time spent up to now is 312.5 secs ethr = 2.27E-08, avg # of iterations = 32.6 total cpu time spent up to now is 312.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -42.8112 -42.8112 -42.6546 -42.6546 -19.6482 -19.6482 -19.3677 -19.3677 -19.0042 -19.0042 -18.7332 -18.7332 -18.6889 -18.6889 -18.4369 -18.4369 6.4977 6.4977 9.8795 9.8795 9.9639 9.9639 10.2159 10.2159 10.2743 10.2743 11.1805 11.1805 11.3796 11.3796 11.7018 11.7018 11.8188 11.8188 12.4453 12.4453 12.8150 12.8150 13.3206 13.3206 13.5794 13.5794 13.6769 13.6769 14.7975 14.7975 15.0883 15.0883 15.3155 15.3155 15.5687 15.5687 k = 0.0000 0.0000 0.0146 ( 4512 PWs) bands (ev): -42.8112 -42.8112 -42.6546 -42.6546 -19.6482 -19.6482 -19.3677 -19.3677 -19.0042 -19.0042 -18.7332 -18.7332 -18.6889 -18.6889 -18.4369 -18.4369 6.4994 6.4994 9.8806 9.8806 9.9643 9.9643 10.2164 10.2164 10.2749 10.2749 11.1812 11.1812 11.3803 11.3803 11.7020 11.7020 11.8190 11.8190 12.4452 12.4452 12.8148 12.8148 13.3156 13.3156 13.5708 13.5708 13.6805 13.6805 14.7974 14.7974 15.0946 15.0946 15.3137 15.3137 15.5696 15.5696 k = 0.0000 0.0000 0.0292 ( 4506 PWs) bands (ev): -42.8112 -42.8112 -42.6546 -42.6546 -19.6482 -19.6482 -19.3678 -19.3678 -19.0043 -19.0043 -18.7332 -18.7332 -18.6890 -18.6890 -18.4369 -18.4369 6.5046 6.5046 9.8838 9.8838 9.9655 9.9655 10.2179 10.2179 10.2764 10.2764 11.1830 11.1830 11.3826 11.3826 11.7026 11.7026 11.8196 11.8196 12.4450 12.4450 12.8142 12.8142 13.3008 13.3008 13.5480 13.5480 13.6881 13.6881 14.7971 14.7971 15.1129 15.1129 15.3087 15.3087 15.5724 15.5724 k = 0.0000 0.0000 0.0438 ( 4509 PWs) bands (ev): -42.8111 -42.8111 -42.6546 -42.6546 -19.6482 -19.6482 -19.3679 -19.3679 -19.0043 -19.0043 -18.7333 -18.7333 -18.6890 -18.6890 -18.4369 -18.4369 6.5131 6.5131 9.8890 9.8890 9.9676 9.9676 10.2204 10.2204 10.2790 10.2790 11.1861 11.1861 11.3862 11.3862 11.7036 11.7036 11.8207 11.8207 12.4446 12.4446 12.8133 12.8133 13.2767 13.2767 13.5156 13.5156 13.6953 13.6953 14.7965 14.7965 15.1427 15.1427 15.3007 15.3007 15.5768 15.5768 k = 0.0000 0.0000 0.0584 ( 4506 PWs) bands (ev): -42.8111 -42.8111 -42.6546 -42.6546 -19.6483 -19.6483 -19.3681 -19.3681 -19.0044 -19.0044 -18.7333 -18.7333 -18.6891 -18.6891 -18.4369 -18.4369 6.5251 6.5251 9.8959 9.8959 9.9710 9.9710 10.2239 10.2239 10.2827 10.2827 11.1905 11.1905 11.3914 11.3914 11.7050 11.7050 11.8223 11.8223 12.4441 12.4441 12.8119 12.8119 13.2445 13.2445 13.4760 13.4760 13.6997 13.6997 14.7957 14.7957 15.1825 15.1825 15.2907 15.2907 15.5825 15.5825 k = 0.0000 0.0000 0.0730 ( 4506 PWs) bands (ev): -42.8111 -42.8111 -42.6546 -42.6546 -19.6483 -19.6483 -19.3684 -19.3684 -19.0046 -19.0046 -18.7334 -18.7334 -18.6892 -18.6892 -18.4369 -18.4369 6.5405 6.5405 9.9039 9.9039 9.9760 9.9760 10.2284 10.2284 10.2874 10.2874 11.1960 11.1960 11.3979 11.3979 11.7068 11.7068 11.8242 11.8242 12.4433 12.4433 12.8100 12.8100 13.2052 13.2052 13.4302 13.4302 13.7004 13.7004 14.7948 14.7948 15.2282 15.2282 15.2819 15.2819 15.5890 15.5890 k = 0.0000 0.0000 0.0876 ( 4503 PWs) bands (ev): -42.8111 -42.8111 -42.6546 -42.6546 -19.6483 -19.6483 -19.3686 -19.3686 -19.0047 -19.0047 -18.7335 -18.7335 -18.6894 -18.6894 -18.4369 -18.4369 6.5592 6.5592 9.9123 9.9123 9.9834 9.9834 10.2340 10.2340 10.2932 10.2932 11.2027 11.2027 11.4058 11.4058 11.7090 11.7090 11.8266 11.8266 12.4423 12.4423 12.8075 12.8075 13.1601 13.1601 13.3788 13.3788 13.6971 13.6971 14.7936 14.7936 15.2488 15.2488 15.3045 15.3045 15.5961 15.5961 k = 0.0000 0.0000 0.1023 ( 4515 PWs) bands (ev): -42.8111 -42.8111 -42.6545 -42.6545 -19.6484 -19.6484 -19.3690 -19.3690 -19.0049 -19.0049 -18.7337 -18.7337 -18.6896 -18.6896 -18.4370 -18.4370 6.5814 6.5814 9.9202 9.9202 9.9939 9.9939 10.2404 10.2404 10.3001 10.3001 11.2105 11.2105 11.4150 11.4150 11.7116 11.7116 11.8294 11.8294 12.4411 12.4411 12.8043 12.8043 13.1106 13.1106 13.3223 13.3223 13.6894 13.6894 14.7922 14.7922 15.2364 15.2364 15.3658 15.3658 15.6035 15.6035 k = 0.0000 0.0000 0.1169 ( 4510 PWs) bands (ev): -42.8110 -42.8110 -42.6545 -42.6545 -19.6485 -19.6485 -19.3693 -19.3693 -19.0051 -19.0051 -18.7338 -18.7338 -18.6897 -18.6897 -18.4370 -18.4370 6.6068 6.6068 9.9270 9.9270 10.0082 10.0082 10.2479 10.2479 10.3080 10.3080 11.2193 11.2193 11.4255 11.4255 11.7145 11.7145 11.8325 11.8325 12.4396 12.4396 12.8001 12.8001 13.0579 13.0579 13.2608 13.2608 13.6776 13.6776 14.7906 14.7906 15.2185 15.2185 15.4371 15.4371 15.6110 15.6110 k = 0.0000 0.0000 0.1315 ( 4512 PWs) bands (ev): -42.8110 -42.8110 -42.6545 -42.6545 -19.6485 -19.6485 -19.3698 -19.3698 -19.0054 -19.0054 -18.7340 -18.7340 -18.6899 -18.6899 -18.4370 -18.4370 6.6356 6.6356 9.9321 9.9321 10.0264 10.0264 10.2564 10.2564 10.3170 10.3170 11.2292 11.2292 11.4370 11.4370 11.7177 11.7177 11.8361 11.8361 12.4377 12.4377 12.7943 12.7943 13.0037 13.0037 13.1949 13.1949 13.6616 13.6616 14.7889 14.7889 15.1987 15.1987 15.5142 15.5142 15.6185 15.6185 k = 0.0000 0.0000 0.1461 ( 4510 PWs) bands (ev): -42.8109 -42.8109 -42.6544 -42.6544 -19.6486 -19.6486 -19.3702 -19.3702 -19.0056 -19.0056 -18.7341 -18.7341 -18.6902 -18.6902 -18.4370 -18.4370 6.6676 6.6676 9.9359 9.9359 10.0483 10.0483 10.2659 10.2659 10.3271 10.3271 11.2400 11.2400 11.4497 11.4497 11.7212 11.7212 11.8400 11.8400 12.4353 12.4353 12.7856 12.7856 12.9500 12.9500 13.1246 13.1246 13.6415 13.6415 14.7870 14.7870 15.1774 15.1774 15.5924 15.5924 15.6291 15.6291 k = 0.0000 0.0000 0.1607 ( 4507 PWs) bands (ev): -42.8109 -42.8109 -42.6544 -42.6544 -19.6487 -19.6487 -19.3707 -19.3707 -19.0059 -19.0059 -18.7343 -18.7343 -18.6904 -18.6904 -18.4371 -18.4371 6.7028 6.7028 9.9383 9.9383 10.0736 10.0736 10.2763 10.2763 10.3383 10.3383 11.2516 11.2516 11.4633 11.4633 11.7250 11.7250 11.8442 11.8442 12.4322 12.4322 12.7711 12.7711 12.9005 12.9005 13.0505 13.0505 13.6175 13.6175 14.7849 14.7849 15.1551 15.1551 15.6251 15.6251 15.6882 15.6882 k = 0.0000 0.0000 0.1753 ( 4507 PWs) bands (ev): -42.8109 -42.8109 -42.6544 -42.6544 -19.6488 -19.6488 -19.3713 -19.3713 -19.0062 -19.0062 -18.7345 -18.7345 -18.6907 -18.6907 -18.4371 -18.4371 6.7413 6.7413 9.9397 9.9397 10.1017 10.1017 10.2879 10.2879 10.3506 10.3506 11.2640 11.2640 11.4778 11.4778 11.7290 11.7290 11.8488 11.8488 12.4281 12.4281 12.7456 12.7456 12.8612 12.8612 12.9732 12.9732 13.5897 13.5897 14.7826 14.7826 15.1318 15.1318 15.6311 15.6311 15.7760 15.7760 k = 0.0000 0.0000 0.1899 ( 4509 PWs) bands (ev): -42.8108 -42.8108 -42.6543 -42.6543 -19.6489 -19.6489 -19.3718 -19.3718 -19.0065 -19.0065 -18.7347 -18.7347 -18.6910 -18.6910 -18.4371 -18.4371 6.7829 6.7829 9.9401 9.9401 10.1323 10.1323 10.3005 10.3005 10.3640 10.3640 11.2770 11.2770 11.4930 11.4930 11.7333 11.7333 11.8536 11.8536 12.4223 12.4223 12.7065 12.7065 12.8351 12.8351 12.8936 12.8936 13.5584 13.5584 14.7803 14.7803 15.1077 15.1077 15.6343 15.6343 15.8674 15.8674 k = 0.0000 0.0000 0.2045 ( 4507 PWs) bands (ev): -42.8108 -42.8108 -42.6543 -42.6543 -19.6490 -19.6490 -19.3724 -19.3724 -19.0068 -19.0068 -18.7350 -18.7350 -18.6912 -18.6912 -18.4371 -18.4371 6.8275 6.8275 9.9395 9.9395 10.1650 10.1650 10.3143 10.3143 10.3787 10.3787 11.2906 11.2906 11.5088 11.5088 11.7377 11.7377 11.8588 11.8588 12.4140 12.4140 12.6587 12.6587 12.8019 12.8019 12.8290 12.8290 13.5237 13.5237 14.7778 14.7778 15.0828 15.0828 15.6354 15.6354 15.9200 15.9200 k = 0.0000 0.0000 0.2191 ( 4510 PWs) bands (ev): -42.8107 -42.8107 -42.6543 -42.6543 -19.6491 -19.6491 -19.3730 -19.3730 -19.0072 -19.0072 -18.7352 -18.7352 -18.6915 -18.6915 -18.4372 -18.4372 6.8752 6.8752 9.9379 9.9379 10.1993 10.1993 10.3295 10.3295 10.3947 10.3947 11.3045 11.3045 11.5250 11.5250 11.7423 11.7423 11.8641 11.8641 12.4014 12.4014 12.6096 12.6096 12.7216 12.7216 12.8148 12.8148 13.4858 13.4858 14.7752 14.7752 15.0572 15.0572 15.6341 15.6341 15.8982 15.8982 k = 0.0000 0.0000 0.2337 ( 4502 PWs) bands (ev): -42.8107 -42.8107 -42.6542 -42.6542 -19.6492 -19.6492 -19.3736 -19.3736 -19.0075 -19.0075 -18.7354 -18.7354 -18.6918 -18.6918 -18.4372 -18.4372 6.9259 6.9259 9.9350 9.9350 10.2345 10.2345 10.3464 10.3464 10.4120 10.4120 11.3187 11.3187 11.5416 11.5416 11.7469 11.7469 11.8696 11.8696 12.3815 12.3815 12.5646 12.5646 12.6364 12.6364 12.8072 12.8072 13.4451 13.4451 14.7725 14.7725 15.0311 15.0311 15.6302 15.6302 15.8802 15.8802 k = 0.0000 0.0000 0.2483 ( 4508 PWs) bands (ev): -42.8106 -42.8106 -42.6542 -42.6542 -19.6493 -19.6493 -19.3743 -19.3743 -19.0079 -19.0079 -18.7357 -18.7357 -18.6922 -18.6922 -18.4372 -18.4372 6.9794 6.9794 9.9309 9.9309 10.2697 10.2697 10.3655 10.3655 10.4309 10.4309 11.3328 11.3328 11.5582 11.5582 11.7516 11.7516 11.8752 11.8752 12.3511 12.3511 12.5254 12.5254 12.5538 12.5538 12.8012 12.8012 13.4016 13.4016 14.7697 14.7697 15.0044 15.0044 15.6237 15.6237 15.8664 15.8664 k = 0.0000 0.0000 0.2629 ( 4511 PWs) bands (ev): -42.8105 -42.8105 -42.6541 -42.6541 -19.6494 -19.6494 -19.3750 -19.3750 -19.0083 -19.0083 -18.7359 -18.7359 -18.6925 -18.6925 -18.4373 -18.4373 7.0357 7.0357 9.9252 9.9252 10.3035 10.3035 10.3878 10.3878 10.4518 10.4518 11.3466 11.3466 11.5747 11.5747 11.7563 11.7563 11.8808 11.8808 12.3096 12.3096 12.4583 12.4583 12.5101 12.5101 12.7958 12.7958 13.3556 13.3556 14.7669 14.7669 14.9772 14.9772 15.6149 15.6149 15.8568 15.8568 k = 0.0000 0.0000 0.2776 ( 4509 PWs) bands (ev): -42.8105 -42.8105 -42.6541 -42.6541 -19.6495 -19.6495 -19.3756 -19.3756 -19.0086 -19.0086 -18.7361 -18.7361 -18.6928 -18.6928 -18.4373 -18.4373 7.0948 7.0948 9.9177 9.9177 10.3343 10.3343 10.4137 10.4137 10.4754 10.4754 11.3598 11.3598 11.5909 11.5909 11.7608 11.7608 11.8863 11.8863 12.2594 12.2594 12.3750 12.3750 12.4929 12.4929 12.7909 12.7909 13.3074 13.3074 14.7640 14.7640 14.9498 14.9498 15.6041 15.6041 15.8511 15.8511 k = 0.0000 0.0000 0.2922 ( 4505 PWs) bands (ev): -42.8104 -42.8104 -42.6541 -42.6541 -19.6496 -19.6496 -19.3763 -19.3763 -19.0090 -19.0090 -18.7364 -18.7364 -18.6931 -18.6931 -18.4373 -18.4373 7.1564 7.1564 9.9082 9.9082 10.3614 10.3614 10.4428 10.4428 10.5027 10.5027 11.3719 11.3719 11.6065 11.6065 11.7651 11.7651 11.8915 11.8915 12.2039 12.2039 12.2934 12.2934 12.4824 12.4824 12.7863 12.7863 13.2571 13.2571 14.7611 14.7611 14.9222 14.9222 15.5921 15.5921 15.8486 15.8486 k = 0.0000 0.0000 0.3068 ( 4510 PWs) bands (ev): -42.8104 -42.8104 -42.6540 -42.6540 -19.6498 -19.6498 -19.3770 -19.3770 -19.0094 -19.0094 -18.7366 -18.7366 -18.6934 -18.6934 -18.4374 -18.4374 7.2205 7.2205 9.8964 9.8964 10.3852 10.3852 10.4728 10.4728 10.5351 10.5351 11.3825 11.3825 11.6212 11.6212 11.7691 11.7691 11.8960 11.8960 12.1456 12.1456 12.2161 12.2161 12.4753 12.4753 12.7818 12.7818 13.2051 13.2051 14.7582 14.7582 14.8946 14.8946 15.5796 15.5796 15.8487 15.8487 k = 0.0000 0.0000 0.3214 ( 4513 PWs) bands (ev): -42.8103 -42.8103 -42.6540 -42.6540 -19.6499 -19.6499 -19.3776 -19.3776 -19.0097 -19.0097 -18.7369 -18.7369 -18.6938 -18.6938 -18.4374 -18.4374 7.2869 7.2869 9.8819 9.8819 10.4070 10.4070 10.5019 10.5019 10.5731 10.5731 11.3907 11.3907 11.6348 11.6348 11.7726 11.7726 11.8991 11.8991 12.0866 12.0866 12.1452 12.1452 12.4702 12.4702 12.7773 12.7773 13.1516 13.1516 14.7553 14.7553 14.8671 14.8671 15.5673 15.5673 15.8505 15.8505 k = 0.0000 0.0000 0.3360 ( 4523 PWs) bands (ev): -42.8103 -42.8103 -42.6539 -42.6539 -19.6500 -19.6500 -19.3783 -19.3783 -19.0101 -19.0101 -18.7371 -18.7371 -18.6941 -18.6941 -18.4374 -18.4374 7.3556 7.3556 9.8645 9.8645 10.4276 10.4276 10.5297 10.5297 10.6154 10.6154 11.3957 11.3957 11.6467 11.6467 11.7754 11.7754 11.8992 11.8992 12.0293 12.0293 12.0825 12.0825 12.4662 12.4662 12.7730 12.7730 13.0969 13.0969 14.7524 14.7524 14.8400 14.8400 15.5555 15.5555 15.8535 15.8535 k = 0.0000 0.0000 0.3506 ( 4525 PWs) bands (ev): -42.8102 -42.8102 -42.6539 -42.6539 -19.6501 -19.6501 -19.3789 -19.3789 -19.0105 -19.0105 -18.7373 -18.7373 -18.6944 -18.6944 -18.4374 -18.4374 7.4262 7.4262 9.8437 9.8437 10.4476 10.4476 10.5569 10.5569 10.6605 10.6605 11.3965 11.3965 11.6567 11.6567 11.7772 11.7772 11.8930 11.8930 11.9772 11.9772 12.0308 12.0308 12.4631 12.4631 12.7687 12.7687 13.0412 13.0412 14.7495 14.7495 14.8134 14.8134 15.5447 15.5447 15.8571 15.8571 k = 0.0000 0.0000 0.3652 ( 4530 PWs) bands (ev): -42.8102 -42.8102 -42.6538 -42.6538 -19.6502 -19.6502 -19.3795 -19.3795 -19.0108 -19.0108 -18.7376 -18.7376 -18.6947 -18.6947 -18.4375 -18.4375 7.4987 7.4987 9.8194 9.8194 10.4673 10.4673 10.5839 10.5839 10.7067 10.7067 11.3921 11.3921 11.6644 11.6644 11.7777 11.7777 11.8745 11.8745 11.9337 11.9337 11.9953 11.9953 12.4604 12.4604 12.7644 12.7644 12.9851 12.9851 14.7465 14.7465 14.7877 14.7877 15.5351 15.5351 15.8606 15.8606 k = 0.0000 0.0000 0.3798 ( 4534 PWs) bands (ev): -42.8101 -42.8101 -42.6538 -42.6538 -19.6503 -19.6503 -19.3801 -19.3801 -19.0111 -19.0111 -18.7378 -18.7378 -18.6950 -18.6950 -18.4375 -18.4375 7.5728 7.5728 9.7912 9.7912 10.4870 10.4870 10.6112 10.6112 10.7524 10.7524 11.3823 11.3823 11.6696 11.6696 11.7758 11.7758 11.8424 11.8424 11.9010 11.9010 11.9780 11.9780 12.4581 12.4581 12.7600 12.7600 12.9288 12.9288 14.7431 14.7431 14.7634 14.7634 15.5267 15.5267 15.8633 15.8633 k = 0.0000 0.0000 0.3944 ( 4537 PWs) bands (ev): -42.8101 -42.8101 -42.6538 -42.6538 -19.6504 -19.6504 -19.3807 -19.3807 -19.0114 -19.0114 -18.7380 -18.7380 -18.6952 -18.6952 -18.4375 -18.4375 7.6482 7.6482 9.7590 9.7590 10.5066 10.5066 10.6389 10.6389 10.7960 10.7960 11.3681 11.3681 11.6723 11.6723 11.7660 11.7660 11.8093 11.8093 11.8789 11.8789 11.9721 11.9721 12.4559 12.4559 12.7552 12.7552 12.8732 12.8732 14.7344 14.7344 14.7456 14.7456 15.5197 15.5197 15.8645 15.8645 k = 0.0000 0.0000 0.4090 ( 4540 PWs) bands (ev): -42.8100 -42.8100 -42.6537 -42.6537 -19.6505 -19.6505 -19.3812 -19.3812 -19.0117 -19.0117 -18.7382 -18.7382 -18.6955 -18.6955 -18.4376 -18.4376 7.7245 7.7245 9.7226 9.7226 10.5262 10.5262 10.6671 10.6671 10.8355 10.8355 11.3523 11.3523 11.6711 11.6711 11.7376 11.7376 11.7951 11.7951 11.8656 11.8656 11.9709 11.9709 12.4537 12.4537 12.7490 12.7490 12.8199 12.8199 14.7142 14.7142 14.7407 14.7407 15.5142 15.5142 15.8633 15.8633 k = 0.0000 0.0000 0.4236 ( 4534 PWs) bands (ev): -42.8100 -42.8100 -42.6537 -42.6537 -19.6506 -19.6506 -19.3817 -19.3817 -19.0120 -19.0120 -18.7384 -18.7384 -18.6957 -18.6957 -18.4376 -18.4376 7.8014 7.8014 9.6820 9.6820 10.5458 10.5458 10.6957 10.6957 10.8683 10.8683 11.3392 11.3392 11.6566 11.6566 11.7107 11.7107 11.7929 11.7929 11.8581 11.8581 11.9712 11.9712 12.4513 12.4513 12.7348 12.7348 12.7759 12.7759 14.6934 14.6934 14.7380 14.7380 15.5100 15.5100 15.8592 15.8592 k = 0.0000 0.0000 0.4382 ( 4528 PWs) bands (ev): -42.8099 -42.8099 -42.6537 -42.6537 -19.6506 -19.6506 -19.3822 -19.3822 -19.0123 -19.0123 -18.7385 -18.7385 -18.6959 -18.6959 -18.4376 -18.4376 7.8784 7.8784 9.6377 9.6377 10.5656 10.5656 10.7246 10.7246 10.8915 10.8915 11.3335 11.3335 11.6208 11.6208 11.7037 11.7037 11.7939 11.7939 11.8541 11.8541 11.9715 11.9715 12.4486 12.4486 12.6978 12.6978 12.7570 12.7570 14.6740 14.6740 14.7358 14.7358 15.5071 15.5071 15.8516 15.8516 k = 0.0000 0.0000 0.4528 ( 4526 PWs) bands (ev): -42.8099 -42.8099 -42.6536 -42.6536 -19.6507 -19.6507 -19.3826 -19.3826 -19.0125 -19.0125 -18.7387 -18.7387 -18.6961 -18.6961 -18.4376 -18.4376 7.9547 7.9547 9.5901 9.5901 10.5853 10.5853 10.7536 10.7536 10.9032 10.9032 11.3387 11.3387 11.5774 11.5774 11.7056 11.7056 11.7958 11.7958 11.8519 11.8519 11.9709 11.9709 12.4453 12.4453 12.6515 12.6515 12.7505 12.7505 14.6561 14.6561 14.7338 14.7338 15.5054 15.5054 15.8409 15.8409 k = 0.0000 0.0000 0.4675 ( 4526 PWs) bands (ev): -42.8099 -42.8099 -42.6536 -42.6536 -19.6508 -19.6508 -19.3830 -19.3830 -19.0127 -19.0127 -18.7388 -18.7388 -18.6963 -18.6963 -18.4376 -18.4376 8.0296 8.0296 9.5399 9.5399 10.6051 10.6051 10.7825 10.7825 10.9035 10.9035 11.3559 11.3559 11.5336 11.5336 11.7095 11.7095 11.7979 11.7979 11.8504 11.8504 11.9691 11.9691 12.4408 12.4408 12.6073 12.6073 12.7466 12.7466 14.6401 14.6401 14.7320 14.7320 15.5049 15.5049 15.8279 15.8279 k = 0.0000 0.0000 0.4821 ( 4530 PWs) bands (ev): -42.8098 -42.8098 -42.6536 -42.6536 -19.6508 -19.6508 -19.3833 -19.3833 -19.0129 -19.0129 -18.7389 -18.7389 -18.6965 -18.6965 -18.4377 -18.4377 8.1019 8.1019 9.4884 9.4884 10.6250 10.6250 10.8105 10.8105 10.8946 10.8946 11.3829 11.3829 11.4919 11.4919 11.7134 11.7134 11.8000 11.8000 11.8491 11.8491 11.9656 11.9656 12.4343 12.4343 12.5683 12.5683 12.7436 12.7436 14.6261 14.6261 14.7304 14.7304 15.5052 15.5052 15.8137 15.8137 k = 0.0000 0.0000 0.4967 ( 4532 PWs) bands (ev): -42.8098 -42.8098 -42.6536 -42.6536 -19.6509 -19.6509 -19.3836 -19.3836 -19.0131 -19.0131 -18.7390 -18.7390 -18.6966 -18.6966 -18.4377 -18.4377 8.1703 8.1703 9.4373 9.4373 10.6448 10.6448 10.8361 10.8361 10.8808 10.8808 11.4136 11.4136 11.4564 11.4564 11.7159 11.7159 11.8021 11.8021 11.8473 11.8473 11.9605 11.9605 12.4251 12.4251 12.5370 12.5370 12.7413 12.7413 14.6141 14.6141 14.7291 14.7291 15.5063 15.5063 15.7994 15.7994 k = 0.0000 0.0000 0.5113 ( 4530 PWs) bands (ev): -42.8098 -42.8098 -42.6536 -42.6536 -19.6509 -19.6509 -19.3838 -19.3838 -19.0132 -19.0132 -18.7391 -18.7391 -18.6967 -18.6967 -18.4377 -18.4377 8.2326 8.2326 9.3886 9.3886 10.6645 10.6645 10.8487 10.8487 10.8746 10.8746 11.4094 11.4094 11.4633 11.4633 11.7159 11.7159 11.8042 11.8042 11.8447 11.8447 11.9542 11.9542 12.4128 12.4128 12.5147 12.5147 12.7394 12.7394 14.6041 14.6041 14.7280 14.7280 15.5078 15.5078 15.7861 15.7861 k = 0.0000 0.0000 0.5259 ( 4531 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3840 -19.3840 -19.0133 -19.0133 -18.7392 -18.7392 -18.6968 -18.6968 -18.4377 -18.4377 8.2864 8.2864 9.3451 9.3451 10.6839 10.6839 10.8345 10.8345 10.8910 10.8910 11.3815 11.3815 11.4994 11.4994 11.7125 11.7125 11.8066 11.8066 11.8411 11.8411 11.9475 11.9475 12.3991 12.3991 12.5006 12.5006 12.7380 12.7380 14.5964 14.5964 14.7271 14.7271 15.5095 15.5095 15.7748 15.7748 k = 0.0000 0.0000 0.5405 ( 4532 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3842 -19.3842 -19.0134 -19.0134 -18.7392 -18.7392 -18.6969 -18.6969 -18.4377 -18.4377 8.3285 8.3285 9.3102 9.3102 10.7021 10.7021 10.8159 10.8159 10.9079 10.9079 11.3583 11.3583 11.5341 11.5341 11.7055 11.7055 11.8095 11.8095 11.8368 11.8368 11.9417 11.9417 12.3868 12.3868 12.4926 12.4926 12.7370 12.7370 14.5908 14.5908 14.7265 14.7265 15.5110 15.5110 15.7661 15.7661 k = 0.0000 0.0000 0.5551 ( 4534 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3842 -19.3842 -19.0134 -19.0134 -18.7393 -18.7393 -18.6969 -18.6969 -18.4377 -18.4377 8.3557 8.3557 9.2873 9.2873 10.7170 10.7170 10.8001 10.8001 10.9194 10.9194 11.3433 11.3433 11.5606 11.5606 11.6971 11.6971 11.8123 11.8123 11.8327 11.8327 11.9378 11.9378 12.3786 12.3786 12.4886 12.4886 12.7363 12.7363 14.5874 14.5874 14.7261 14.7261 15.5121 15.5121 15.7606 15.7606 k = 0.0000 0.0000 0.5697 ( 4528 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3843 -19.3843 -19.0135 -19.0135 -18.7393 -18.7393 -18.6969 -18.6969 -18.4377 -18.4377 8.3651 8.3651 9.2793 9.2793 10.7236 10.7236 10.7933 10.7933 10.9235 10.9235 11.3380 11.3380 11.5710 11.5710 11.6929 11.6929 11.8137 11.8137 11.8309 11.8309 11.9364 11.9364 12.3757 12.3757 12.4874 12.4874 12.7361 12.7361 14.5863 14.5863 14.7260 14.7260 15.5125 15.5125 15.7587 15.7587 k = 0.0000 0.0000 0.5697 ( 4528 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3843 -19.3843 -19.0135 -19.0135 -18.7393 -18.7393 -18.6969 -18.6969 -18.4377 -18.4377 8.3651 8.3651 9.2793 9.2793 10.7236 10.7236 10.7933 10.7933 10.9235 10.9235 11.3380 11.3380 11.5710 11.5710 11.6929 11.6929 11.8137 11.8137 11.8309 11.8309 11.9364 11.9364 12.3757 12.3757 12.4874 12.4874 12.7361 12.7361 14.5863 14.5863 14.7260 14.7260 15.5125 15.5125 15.7587 15.7587 k = 0.0000 0.0148 0.5697 ( 4529 PWs) bands (ev): -42.8097 -42.8097 -42.6535 -42.6535 -19.6509 -19.6509 -19.3843 -19.3843 -19.0134 -19.0134 -18.7395 -18.7395 -18.6971 -18.6971 -18.4379 -18.4379 8.3663 8.3663 9.2810 9.2810 10.7242 10.7242 10.7943 10.7943 10.9234 10.9234 11.3374 11.3374 11.5675 11.5675 11.6955 11.6955 11.7998 11.7998 11.8446 11.8446 11.9364 11.9364 12.3758 12.3758 12.4855 12.4855 12.7398 12.7398 14.5863 14.5863 14.7255 14.7255 15.5125 15.5125 15.7582 15.7582 k = 0.0000 0.0295 0.5697 ( 4531 PWs) bands (ev): -42.8095 -42.8095 -42.6535 -42.6535 -19.6507 -19.6507 -19.3844 -19.3844 -19.0134 -19.0134 -18.7401 -18.7401 -18.6977 -18.6977 -18.4386 -18.4386 8.3700 8.3700 9.2863 9.2863 10.7261 10.7261 10.7974 10.7974 10.9231 10.9231 11.3357 11.3357 11.5577 11.5577 11.7024 11.7024 11.7799 11.7799 11.8639 11.8639 11.9367 11.9367 12.3758 12.3758 12.4804 12.4804 12.7505 12.7505 14.5862 14.5862 14.7241 14.7241 15.5128 15.5128 15.7565 15.7565 k = 0.0000 0.0443 0.5697 ( 4537 PWs) bands (ev): -42.8092 -42.8092 -42.6535 -42.6535 -19.6502 -19.6502 -19.3845 -19.3845 -19.0133 -19.0133 -18.7411 -18.7411 -18.6985 -18.6985 -18.4398 -18.4398 8.3762 8.3762 9.2950 9.2950 10.7292 10.7292 10.8025 10.8025 10.9228 10.9228 11.3328 11.3328 11.5435 11.5435 11.7114 11.7114 11.7604 11.7604 11.8828 11.8828 11.9374 11.9374 12.3753 12.3753 12.4736 12.4736 12.7671 12.7671 14.5860 14.5860 14.7217 14.7217 15.5131 15.5131 15.7540 15.7540 k = 0.0000 0.0591 0.5697 ( 4538 PWs) bands (ev): -42.8087 -42.8087 -42.6534 -42.6534 -19.6496 -19.6496 -19.3847 -19.3847 -19.0132 -19.0132 -18.7426 -18.7426 -18.6998 -18.6998 -18.4414 -18.4414 8.3848 8.3848 9.3071 9.3071 10.7337 10.7337 10.8095 10.8095 10.9222 10.9222 11.3288 11.3288 11.5265 11.5265 11.7180 11.7180 11.7447 11.7447 11.8998 11.8998 11.9395 11.9395 12.3733 12.3733 12.4671 12.4671 12.7885 12.7885 14.5856 14.5856 14.7185 14.7185 15.5135 15.5135 15.7509 15.7509 k = 0.0000 0.0739 0.5697 ( 4536 PWs) bands (ev): -42.8081 -42.8081 -42.6533 -42.6533 -19.6488 -19.6488 -19.3849 -19.3849 -19.0130 -19.0130 -18.7444 -18.7444 -18.7014 -18.7014 -18.4434 -18.4434 8.3959 8.3959 9.3227 9.3227 10.7394 10.7394 10.8182 10.8182 10.9215 10.9215 11.3237 11.3237 11.5077 11.5077 11.7105 11.7105 11.7435 11.7435 11.9128 11.9128 11.9451 11.9451 12.3686 12.3686 12.4631 12.4631 12.8137 12.8137 14.5847 14.5847 14.7143 14.7143 15.5137 15.5137 15.7477 15.7477 k = 0.0000 0.0886 0.5697 ( 4534 PWs) bands (ev): -42.8074 -42.8074 -42.6532 -42.6532 -19.6479 -19.6479 -19.3852 -19.3852 -19.0128 -19.0128 -18.7466 -18.7466 -18.7033 -18.7033 -18.4459 -18.4459 8.4094 8.4094 9.3416 9.3416 10.7464 10.7464 10.8285 10.8285 10.9207 10.9207 11.3176 11.3176 11.4879 11.4879 11.6935 11.6935 11.7517 11.7517 11.9201 11.9201 11.9558 11.9558 12.3606 12.3606 12.4629 12.4629 12.8418 12.8418 14.5834 14.5834 14.7093 14.7093 15.5137 15.5137 15.7448 15.7448 k = 0.0000 0.1034 0.5697 ( 4534 PWs) bands (ev): -42.8065 -42.8065 -42.6531 -42.6531 -19.6467 -19.6467 -19.3855 -19.3855 -19.0125 -19.0125 -18.7491 -18.7491 -18.7056 -18.7056 -18.4488 -18.4488 8.4253 8.4253 9.3638 9.3638 10.7546 10.7546 10.8401 10.8401 10.9198 10.9198 11.3104 11.3104 11.4676 11.4676 11.6754 11.6754 11.7607 11.7607 11.9236 11.9236 11.9699 11.9699 12.3495 12.3495 12.4668 12.4668 12.8723 12.8723 14.5812 14.5812 14.7036 14.7036 15.5135 15.5135 15.7429 15.7429 k = 0.0000 0.1182 0.5697 ( 4534 PWs) bands (ev): -42.8056 -42.8056 -42.6530 -42.6530 -19.6455 -19.6455 -19.3859 -19.3859 -19.0123 -19.0123 -18.7521 -18.7521 -18.7082 -18.7082 -18.4521 -18.4521 8.4435 8.4435 9.3892 9.3892 10.7640 10.7640 10.8528 10.8528 10.9187 10.9187 11.3023 11.3023 11.4472 11.4472 11.6577 11.6577 11.7687 11.7687 11.9260 11.9260 11.9849 11.9849 12.3359 12.3359 12.4742 12.4742 12.9049 12.9049 14.5780 14.5780 14.6972 14.6972 15.5131 15.5131 15.7424 15.7424 k = 0.0000 0.1330 0.5697 ( 4532 PWs) bands (ev): -42.8045 -42.8045 -42.6529 -42.6529 -19.6440 -19.6440 -19.3864 -19.3864 -19.0120 -19.0120 -18.7553 -18.7553 -18.7112 -18.7112 -18.4558 -18.4558 8.4642 8.4642 9.4178 9.4178 10.7744 10.7744 10.8664 10.8664 10.9176 10.9176 11.2933 11.2933 11.4271 11.4271 11.6409 11.6409 11.7749 11.7749 11.9286 11.9286 11.9994 11.9994 12.3210 12.3210 12.4845 12.4845 12.9392 12.9392 14.5735 14.5735 14.6902 14.6902 15.5125 15.5125 15.7438 15.7438 k = 0.0000 0.1477 0.5697 ( 4528 PWs) bands (ev): -42.8033 -42.8033 -42.6527 -42.6527 -19.6425 -19.6425 -19.3870 -19.3870 -19.0116 -19.0116 -18.7588 -18.7588 -18.7145 -18.7145 -18.4599 -18.4599 8.4871 8.4871 9.4493 9.4493 10.7857 10.7857 10.8804 10.8804 10.9166 10.9166 11.2835 11.2835 11.4076 11.4076 11.6251 11.6251 11.7789 11.7789 11.9322 11.9322 12.0132 12.0132 12.3052 12.3052 12.4971 12.4971 12.9749 12.9749 14.5675 14.5675 14.6827 14.6827 15.5121 15.5121 15.7475 15.7475 k = 0.0000 0.1625 0.5697 ( 4528 PWs) bands (ev): -42.8019 -42.8019 -42.6526 -42.6526 -19.6408 -19.6408 -19.3876 -19.3876 -19.0113 -19.0113 -18.7627 -18.7627 -18.7182 -18.7182 -18.4643 -18.4643 8.5123 8.5123 9.4838 9.4838 10.7977 10.7977 10.8940 10.8940 10.9163 10.9163 11.2729 11.2729 11.3889 11.3889 11.6106 11.6106 11.7805 11.7805 11.9369 11.9369 12.0258 12.0258 12.2891 12.2891 12.5117 12.5117 13.0120 13.0120 14.5596 14.5596 14.6747 14.6747 15.5123 15.5123 15.7536 15.7536 k = 0.0000 0.1773 0.5697 ( 4518 PWs) bands (ev): -42.8005 -42.8005 -42.6524 -42.6524 -19.6390 -19.6390 -19.3883 -19.3883 -19.0109 -19.0109 -18.7667 -18.7667 -18.7221 -18.7221 -18.4690 -18.4690 8.5398 8.5398 9.5210 9.5210 10.8102 10.8102 10.9044 10.9044 10.9193 10.9193 11.2616 11.2616 11.3714 11.3714 11.5975 11.5975 11.7798 11.7798 11.9429 11.9429 12.0371 12.0371 12.2730 12.2730 12.5281 12.5281 13.0502 13.0502 14.5496 14.5496 14.6665 14.6665 15.5135 15.5135 15.7623 15.7623 k = 0.0000 0.1921 0.5697 ( 4520 PWs) bands (ev): -42.7989 -42.7989 -42.6523 -42.6523 -19.6370 -19.6370 -19.3892 -19.3892 -19.0105 -19.0105 -18.7710 -18.7710 -18.7264 -18.7264 -18.4741 -18.4741 8.5695 8.5695 9.5608 9.5608 10.8230 10.8230 10.9071 10.9071 10.9299 10.9299 11.2496 11.2496 11.3554 11.3554 11.5859 11.5859 11.7767 11.7767 11.9502 11.9502 12.0469 12.0469 12.2570 12.2570 12.5461 12.5461 13.0895 13.0895 14.5374 14.5374 14.6580 14.6580 15.5163 15.5163 15.7735 15.7735 k = 0.0000 0.2068 0.5697 ( 4518 PWs) bands (ev): -42.7972 -42.7972 -42.6521 -42.6521 -19.6350 -19.6350 -19.3901 -19.3901 -19.0100 -19.0100 -18.7755 -18.7755 -18.7309 -18.7309 -18.4795 -18.4795 8.6013 8.6013 9.6030 9.6030 10.8357 10.8357 10.9065 10.9065 10.9434 10.9434 11.2371 11.2371 11.3413 11.3413 11.5759 11.5759 11.7716 11.7716 11.9586 11.9586 12.0553 12.0553 12.2414 12.2414 12.5657 12.5657 13.1297 13.1297 14.5228 14.5228 14.6495 14.6495 15.5211 15.5211 15.7872 15.7872 k = 0.0000 0.2216 0.5697 ( 4517 PWs) bands (ev): -42.7954 -42.7954 -42.6519 -42.6519 -19.6328 -19.6328 -19.3911 -19.3911 -19.0095 -19.0095 -18.7802 -18.7802 -18.7358 -18.7358 -18.4851 -18.4851 8.6352 8.6352 9.6475 9.6475 10.8479 10.8479 10.9052 10.9052 10.9572 10.9572 11.2241 11.2241 11.3295 11.3295 11.5673 11.5673 11.7646 11.7646 11.9679 11.9679 12.0620 12.0620 12.2264 12.2264 12.5870 12.5870 13.1707 13.1707 14.5059 14.5059 14.6410 14.6410 15.5285 15.5285 15.8033 15.8033 k = 0.0000 0.2364 0.5697 ( 4519 PWs) bands (ev): -42.7936 -42.7936 -42.6518 -42.6518 -19.6306 -19.6306 -19.3923 -19.3923 -19.0090 -19.0090 -18.7850 -18.7850 -18.7409 -18.7409 -18.4910 -18.4910 8.6711 8.6711 9.6939 9.6939 10.8593 10.8593 10.9041 10.9041 10.9704 10.9704 11.2107 11.2107 11.3203 11.3203 11.5602 11.5602 11.7561 11.7561 11.9777 11.9777 12.0669 12.0669 12.2121 12.2121 12.6100 12.6100 13.2124 13.2124 14.4866 14.4866 14.6327 14.6327 15.5386 15.5386 15.8217 15.8217 k = 0.0000 0.2512 0.5697 ( 4521 PWs) bands (ev): -42.7916 -42.7916 -42.6516 -42.6516 -19.6283 -19.6283 -19.3936 -19.3936 -19.0085 -19.0085 -18.7899 -18.7899 -18.7462 -18.7462 -18.4971 -18.4971 8.7089 8.7089 9.7420 9.7420 10.8691 10.8691 10.9035 10.9035 10.9827 10.9827 11.1971 11.1971 11.3141 11.3141 11.5544 11.5544 11.7462 11.7462 11.9878 11.9878 12.0702 12.0702 12.1987 12.1987 12.6348 12.6348 13.2548 13.2548 14.4651 14.4651 14.6247 14.6247 15.5516 15.5516 15.8422 15.8422 k = 0.0000 0.2659 0.5697 ( 4520 PWs) bands (ev): -42.7895 -42.7895 -42.6515 -42.6515 -19.6260 -19.6260 -19.3950 -19.3950 -19.0080 -19.0080 -18.7949 -18.7949 -18.7518 -18.7518 -18.5034 -18.5034 8.7486 8.7486 9.7915 9.7915 10.8764 10.8764 10.9045 10.9045 10.9939 10.9939 11.1833 11.1833 11.3113 11.3113 11.5498 11.5498 11.7352 11.7352 11.9980 11.9980 12.0717 12.0717 12.1865 12.1865 12.6615 12.6615 13.2977 13.2977 14.4416 14.4416 14.6171 14.6171 15.5675 15.5675 15.8648 15.8648 k = 0.0000 0.2807 0.5697 ( 4518 PWs) bands (ev): -42.7874 -42.7874 -42.6513 -42.6513 -19.6236 -19.6236 -19.3966 -19.3966 -19.0074 -19.0074 -18.7999 -18.7999 -18.7576 -18.7576 -18.5098 -18.5098 8.7901 8.7901 9.8420 9.8420 10.8803 10.8803 10.9078 10.9078 11.0038 11.0038 11.1694 11.1694 11.3120 11.3120 11.5460 11.5460 11.7232 11.7232 12.0075 12.0075 12.0719 12.0719 12.1757 12.1757 12.6902 12.6902 13.3409 13.3409 14.4164 14.4164 14.6102 14.6102 15.5864 15.5864 15.8882 15.8882 k = 0.0000 0.2955 0.5697 ( 4511 PWs) bands (ev): -42.7851 -42.7851 -42.6512 -42.6512 -19.6212 -19.6212 -19.3984 -19.3984 -19.0068 -19.0068 -18.8050 -18.8050 -18.7636 -18.7636 -18.5165 -18.5165 8.8333 8.8333 9.8932 9.8932 10.8813 10.8813 10.9131 10.9131 11.0124 11.0124 11.1554 11.1554 11.3165 11.3165 11.5428 11.5428 11.7103 11.7103 12.0156 12.0156 12.0714 12.0714 12.1667 12.1667 12.7210 12.7210 13.3845 13.3845 14.3896 14.3896 14.6040 14.6040 15.6079 15.6079 15.8787 15.8787 k = 0.0000 0.3103 0.5697 ( 4509 PWs) bands (ev): -42.7828 -42.7828 -42.6511 -42.6511 -19.6187 -19.6187 -19.4003 -19.4003 -19.0061 -19.0061 -18.8100 -18.8100 -18.7697 -18.7697 -18.5233 -18.5233 8.8781 8.8781 9.9447 9.9447 10.8806 10.8806 10.9193 10.9193 11.0196 11.0196 11.1415 11.1415 11.3245 11.3245 11.5399 11.5399 11.6968 11.6968 12.0205 12.0205 12.0717 12.0717 12.1598 12.1598 12.7539 12.7539 13.4281 13.4281 14.3617 14.3617 14.5988 14.5988 15.6319 15.6319 15.8242 15.8242 k = 0.0000 0.3250 0.5697 ( 4511 PWs) bands (ev): -42.7804 -42.7804 -42.6510 -42.6510 -19.6163 -19.6163 -19.4023 -19.4023 -19.0055 -19.0055 -18.8149 -18.8149 -18.7760 -18.7760 -18.5303 -18.5303 8.9244 8.9244 9.9958 9.9958 10.8790 10.8790 10.9259 10.9259 11.0258 11.0258 11.1278 11.1278 11.3357 11.3357 11.5371 11.5371 11.6826 11.6826 12.0206 12.0206 12.0742 12.0742 12.1554 12.1554 12.7889 12.7889 13.4718 13.4718 14.3328 14.3328 14.5947 14.5947 15.6581 15.6581 15.7674 15.7674 k = 0.0000 0.3398 0.5697 ( 4515 PWs) bands (ev): -42.7780 -42.7780 -42.6509 -42.6509 -19.6138 -19.6138 -19.4046 -19.4046 -19.0048 -19.0048 -18.8197 -18.8197 -18.7824 -18.7824 -18.5373 -18.5373 8.9721 8.9721 10.0462 10.0462 10.8771 10.8771 10.9326 10.9326 11.0311 11.0311 11.1144 11.1144 11.3494 11.3494 11.5342 11.5342 11.6680 11.6680 12.0158 12.0158 12.0786 12.0786 12.1545 12.1545 12.8261 12.8261 13.5153 13.5153 14.3032 14.3032 14.5919 14.5919 15.6859 15.6859 15.7105 15.7105 k = 0.0000 0.3546 0.5697 ( 4511 PWs) bands (ev): -42.7754 -42.7754 -42.6508 -42.6508 -19.6114 -19.6114 -19.4070 -19.4070 -19.0041 -19.0041 -18.8245 -18.8245 -18.7888 -18.7888 -18.5445 -18.5445 9.0210 9.0210 10.0952 10.0952 10.8750 10.8750 10.9396 10.9396 11.0360 11.0360 11.1014 11.1014 11.3648 11.3648 11.5314 11.5314 11.6532 11.6532 12.0074 12.0074 12.0826 12.0826 12.1581 12.1581 12.8652 12.8652 13.5584 13.5584 14.2732 14.2732 14.5906 14.5906 15.6532 15.6532 15.7157 15.7157 k = 0.0000 0.3694 0.5697 ( 4506 PWs) bands (ev): -42.7729 -42.7729 -42.6508 -42.6508 -19.6090 -19.6090 -19.4097 -19.4097 -19.0033 -19.0033 -18.8291 -18.8291 -18.7954 -18.7954 -18.5517 -18.5517 9.0710 9.0710 10.1423 10.1423 10.8729 10.8729 10.9472 10.9472 11.0405 11.0405 11.0894 11.0894 11.3806 11.3806 11.5291 11.5291 11.6382 11.6382 11.9968 11.9968 12.0848 12.0848 12.1670 12.1670 12.9062 12.9062 13.6010 13.6010 14.2429 14.2429 14.5910 14.5910 15.5968 15.5968 15.7462 15.7462 k = 0.0000 0.3841 0.5697 ( 4507 PWs) bands (ev): -42.7702 -42.7702 -42.6508 -42.6508 -19.6066 -19.6066 -19.4125 -19.4125 -19.0025 -19.0025 -18.8335 -18.8335 -18.8019 -18.8019 -18.5591 -18.5591 9.1220 9.1220 10.1868 10.1868 10.8706 10.8706 10.9553 10.9553 11.0441 11.0441 11.0795 11.0795 11.3949 11.3949 11.5278 11.5278 11.6235 11.6235 11.9849 11.9849 12.0848 12.0848 12.1809 12.1809 12.9489 12.9489 13.6428 13.6428 14.2126 14.2126 14.5934 14.5934 15.5410 15.5410 15.7772 15.7772 k = 0.0000 0.3989 0.5697 ( 4507 PWs) bands (ev): -42.7676 -42.7676 -42.6508 -42.6508 -19.6043 -19.6043 -19.4155 -19.4155 -19.0016 -19.0016 -18.8377 -18.8377 -18.8084 -18.8084 -18.5664 -18.5664 9.1738 9.1738 10.2283 10.2283 10.8684 10.8684 10.9642 10.9642 11.0442 11.0442 11.0748 11.0748 11.4058 11.4058 11.5284 11.5284 11.6098 11.6098 11.9722 11.9722 12.0838 12.0838 12.1990 12.1990 12.9930 12.9930 13.6836 13.6836 14.1824 14.1824 14.5979 14.5979 15.4860 15.4860 15.8085 15.8085 k = 0.0000 0.4137 0.5697 ( 4508 PWs) bands (ev): -42.7649 -42.7649 -42.6509 -42.6509 -19.6021 -19.6021 -19.4187 -19.4187 -19.0006 -19.0006 -18.8418 -18.8418 -18.8149 -18.8149 -18.5739 -18.5739 9.2263 9.2263 10.2662 10.2662 10.8660 10.8660 10.9734 10.9734 11.0388 11.0388 11.0780 11.0780 11.4112 11.4112 11.5308 11.5308 11.5988 11.5988 11.9590 11.9590 12.0829 12.0829 12.2204 12.2204 13.0382 13.0382 13.7232 13.7232 14.1523 14.1523 14.6048 14.6048 15.4320 15.4320 15.8396 15.8396 k = 0.0000 0.4285 0.5697 ( 4511 PWs) bands (ev): -42.7621 -42.7621 -42.6510 -42.6510 -19.5999 -19.5999 -19.4221 -19.4221 -18.9996 -18.9996 -18.8456 -18.8456 -18.8213 -18.8213 -18.5813 -18.5813 9.2792 9.2792 10.3004 10.3004 10.8636 10.8636 10.9822 10.9822 11.0309 11.0309 11.0867 11.0867 11.4103 11.4103 11.5317 11.5317 11.5941 11.5941 11.9457 11.9457 12.0832 12.0832 12.2446 12.2446 13.0843 13.0843 13.7613 13.7613 14.1225 14.1225 14.6144 14.6144 15.3791 15.3791 15.8702 15.8702 k = 0.0000 0.4432 0.5697 ( 4508 PWs) bands (ev): -42.7594 -42.7594 -42.6512 -42.6512 -19.5977 -19.5977 -19.4256 -19.4256 -18.9986 -18.9986 -18.8492 -18.8492 -18.8276 -18.8276 -18.5888 -18.5888 9.3324 9.3324 10.3308 10.3308 10.8611 10.8611 10.9887 10.9887 11.0247 11.0247 11.0986 11.0986 11.4038 11.4038 11.5263 11.5263 11.5994 11.5994 11.9323 11.9323 12.0859 12.0859 12.2711 12.2711 13.1309 13.1309 13.7977 13.7977 14.0930 14.0930 14.6268 14.6268 15.3274 15.3274 15.8997 15.8997 k = 0.0000 0.4580 0.5697 ( 4509 PWs) bands (ev): -42.7566 -42.7566 -42.6513 -42.6513 -19.5957 -19.5957 -19.4294 -19.4294 -18.9974 -18.9974 -18.8525 -18.8525 -18.8337 -18.8337 -18.5963 -18.5963 9.3858 9.3858 10.3574 10.3574 10.8585 10.8585 10.9890 10.9890 11.0249 11.0249 11.1121 11.1121 11.3930 11.3930 11.5149 11.5149 11.6129 11.6129 11.9191 11.9191 12.0918 12.0918 12.2999 12.2999 13.1776 13.1776 13.8322 13.8322 14.0638 14.0638 14.6421 14.6421 15.2770 15.2770 15.9281 15.9281 k = 0.0000 0.4728 0.5697 ( 4511 PWs) bands (ev): -42.7538 -42.7538 -42.6515 -42.6515 -19.5937 -19.5937 -19.4333 -19.4333 -18.9961 -18.9961 -18.8557 -18.8557 -18.8397 -18.8397 -18.6039 -18.6039 9.4390 9.4390 10.3805 10.3805 10.8558 10.8558 10.9830 10.9830 11.0320 11.0320 11.1262 11.1262 11.3792 11.3792 11.5002 11.5002 11.6304 11.6304 11.9061 11.9061 12.1021 12.1021 12.3307 12.3307 13.2240 13.2240 13.8645 13.8645 14.0350 14.0350 14.6606 14.6606 15.2281 15.2281 15.9548 15.9548 k = 0.0000 0.4876 0.5697 ( 4513 PWs) bands (ev): -42.7510 -42.7510 -42.6518 -42.6518 -19.5918 -19.5918 -19.4374 -19.4374 -18.9948 -18.9948 -18.8587 -18.8587 -18.8453 -18.8453 -18.6114 -18.6114 9.4919 9.4919 10.4004 10.4004 10.8531 10.8531 10.9741 10.9741 11.0424 11.0424 11.1398 11.1398 11.3632 11.3632 11.4841 11.4841 11.6493 11.6493 11.8934 11.8934 12.1173 12.1173 12.3636 12.3636 13.2698 13.2698 13.8947 13.8947 14.0065 14.0065 14.6822 14.6822 15.1806 15.1806 15.9796 15.9796 k = 0.0000 0.5023 0.5697 ( 4514 PWs) bands (ev): -42.7482 -42.7482 -42.6521 -42.6521 -19.5899 -19.5899 -19.4417 -19.4417 -18.9933 -18.9933 -18.8617 -18.8617 -18.8506 -18.8506 -18.6188 -18.6188 9.5443 9.5443 10.4177 10.4177 10.8504 10.8504 10.9645 10.9645 11.0542 11.0542 11.1518 11.1518 11.3456 11.3456 11.4672 11.4672 11.6684 11.6684 11.8810 11.8810 12.1381 12.1381 12.3984 12.3984 13.3146 13.3146 13.9224 13.9224 13.9785 13.9785 14.7069 14.7069 15.1348 15.1348 16.0020 16.0020 k = 0.0000 0.5171 0.5697 ( 4516 PWs) bands (ev): -42.7454 -42.7454 -42.6525 -42.6525 -19.5882 -19.5882 -19.4460 -19.4460 -18.9917 -18.9917 -18.8649 -18.8649 -18.8552 -18.8552 -18.6263 -18.6263 9.5961 9.5961 10.4327 10.4327 10.8476 10.8476 10.9548 10.9548 11.0662 11.0662 11.1615 11.1615 11.3270 11.3270 11.4500 11.4500 11.6872 11.6872 11.8692 11.8692 12.1645 12.1645 12.4352 12.4352 13.3579 13.3579 13.9451 13.9451 13.9535 13.9535 14.7344 14.7344 15.0908 15.0908 16.0217 16.0217 k = 0.0000 0.5319 0.5697 ( 4510 PWs) bands (ev): -42.7426 -42.7426 -42.6529 -42.6529 -19.5864 -19.5864 -19.4506 -19.4506 -18.9901 -18.9901 -18.8684 -18.8684 -18.8589 -18.8589 -18.6337 -18.6337 9.6469 9.6469 10.4460 10.4460 10.8448 10.8448 10.9452 10.9452 11.0776 11.0776 11.1689 11.1689 11.3076 11.3076 11.4328 11.4328 11.7055 11.7055 11.8578 11.8578 12.1963 12.1963 12.4740 12.4740 13.3994 13.3994 13.9222 13.9222 13.9721 13.9721 14.7643 14.7643 15.0491 15.0491 16.0380 16.0380 k = 0.0000 0.5467 0.5697 ( 4506 PWs) bands (ev): -42.7399 -42.7399 -42.6533 -42.6533 -19.5848 -19.5848 -19.4552 -19.4552 -18.9883 -18.9883 -18.8725 -18.8725 -18.8617 -18.8617 -18.6410 -18.6410 9.6965 9.6965 10.4580 10.4580 10.8420 10.8420 10.9360 10.9360 11.0869 11.0869 11.1746 11.1746 11.2880 11.2880 11.4158 11.4158 11.7234 11.7234 11.8471 11.8471 12.2328 12.2328 12.5148 12.5148 13.4388 13.4388 13.8949 13.8949 13.9933 13.9933 14.7954 14.7954 15.0105 15.0105 16.0501 16.0501 k = 0.0000 0.5614 0.5697 ( 4502 PWs) bands (ev): -42.7372 -42.7372 -42.6538 -42.6538 -19.5832 -19.5832 -19.4598 -19.4598 -18.9863 -18.9863 -18.8768 -18.8768 -18.8637 -18.8637 -18.6483 -18.6483 9.7449 9.7449 10.4690 10.4690 10.8392 10.8392 10.9273 10.9273 11.0920 11.0920 11.1798 11.1798 11.2687 11.2687 11.3992 11.3992 11.7408 11.7408 11.8371 11.8371 12.2733 12.2733 12.5577 12.5577 13.4756 13.4756 13.8675 13.8675 14.0128 14.0128 14.8251 14.8251 14.9774 14.9774 16.0571 16.0571 k = 0.0000 0.5762 0.5697 ( 4506 PWs) bands (ev): -42.7345 -42.7345 -42.6543 -42.6543 -19.5816 -19.5816 -19.4646 -19.4646 -18.9843 -18.9843 -18.8813 -18.8813 -18.8650 -18.8650 -18.6554 -18.6554 9.7919 9.7919 10.4794 10.4794 10.8364 10.8364 10.9190 10.9190 11.0912 11.0912 11.1846 11.1846 11.2515 11.2515 11.3834 11.3834 11.7578 11.7578 11.8281 11.8281 12.3167 12.3167 12.6027 12.6027 13.5096 13.5096 13.8403 13.8403 14.0305 14.0305 14.8454 14.8454 14.9576 14.9576 16.0579 16.0579 k = 0.0000 0.5910 0.5697 ( 4503 PWs) bands (ev): -42.7319 -42.7319 -42.6549 -42.6549 -19.5800 -19.5800 -19.4694 -19.4694 -18.9822 -18.9822 -18.8857 -18.8857 -18.8660 -18.8660 -18.6624 -18.6624 9.8371 9.8371 10.4895 10.4895 10.8335 10.8335 10.9113 10.9113 11.0841 11.0841 11.1852 11.1852 11.2406 11.2406 11.3688 11.3688 11.7736 11.7736 11.8208 11.8208 12.3619 12.3619 12.6499 12.6499 13.5406 13.5406 13.8131 13.8131 14.0468 14.0468 14.8424 14.8424 14.9646 14.9646 16.0516 16.0516 k = 0.0000 0.6058 0.5697 ( 4514 PWs) bands (ev): -42.7294 -42.7294 -42.6555 -42.6555 -19.5785 -19.5785 -19.4742 -19.4742 -18.9800 -18.9800 -18.8900 -18.8900 -18.8666 -18.8666 -18.6693 -18.6693 9.8806 9.8806 10.4994 10.4994 10.8307 10.8307 10.9042 10.9042 11.0715 11.0715 11.1752 11.1752 11.2410 11.2410 11.3564 11.3564 11.7862 11.7862 11.8172 11.8172 12.4079 12.4079 12.6991 12.6991 13.5682 13.5682 13.7859 13.7859 14.0619 14.0619 14.8199 14.8199 14.9944 14.9944 16.0381 16.0381 k = 0.0000 0.6205 0.5697 ( 4509 PWs) bands (ev): -42.7269 -42.7269 -42.6561 -42.6561 -19.5769 -19.5769 -19.4790 -19.4790 -18.9776 -18.9776 -18.8942 -18.8942 -18.8669 -18.8669 -18.6760 -18.6760 9.9221 9.9221 10.5095 10.5095 10.8278 10.8278 10.8977 10.8977 11.0550 11.0550 11.1569 11.1569 11.2481 11.2481 11.3476 11.3476 11.7905 11.7905 11.8222 11.8222 12.4539 12.4539 12.7502 12.7502 13.5924 13.5924 13.7588 13.7588 14.0760 14.0760 14.7905 14.7905 15.0339 15.0339 16.0178 16.0178 k = 0.0000 0.6353 0.5697 ( 4515 PWs) bands (ev): -42.7245 -42.7245 -42.6568 -42.6568 -19.5754 -19.5754 -19.4837 -19.4837 -18.9752 -18.9752 -18.8981 -18.8981 -18.8669 -18.8669 -18.6825 -18.6825 9.9614 9.9614 10.5197 10.5197 10.8248 10.8248 10.8917 10.8917 11.0355 11.0355 11.1350 11.1350 11.2539 11.2539 11.3451 11.3451 11.7879 11.7879 11.8347 11.8347 12.4990 12.4990 12.8028 12.8028 13.6129 13.6129 13.7318 13.7318 14.0892 14.0892 14.7596 14.7596 15.0776 15.0776 15.9922 15.9922 k = 0.0000 0.6501 0.5697 ( 4520 PWs) bands (ev): -42.7222 -42.7222 -42.6575 -42.6575 -19.5738 -19.5738 -19.4884 -19.4884 -18.9728 -18.9728 -18.9019 -18.9019 -18.8668 -18.8668 -18.6888 -18.6888 9.9985 9.9985 10.5303 10.5303 10.8217 10.8217 10.8862 10.8862 11.0142 11.0142 11.1119 11.1119 11.2541 11.2541 11.3505 11.3505 11.7835 11.7835 11.8494 11.8494 12.5429 12.5429 12.8566 12.8566 13.6297 13.6297 13.7050 13.7050 14.1018 14.1018 14.7286 14.7286 15.1234 15.1234 15.9625 15.9625 k = 0.0000 0.6648 0.5697 ( 4515 PWs) bands (ev): -42.7200 -42.7200 -42.6582 -42.6582 -19.5722 -19.5722 -19.4929 -19.4929 -18.9703 -18.9703 -18.9056 -18.9056 -18.8664 -18.8664 -18.6947 -18.6947 10.0331 10.0331 10.5412 10.5412 10.8185 10.8185 10.8812 10.8812 10.9916 10.9916 11.0884 11.0884 11.2486 11.2486 11.3625 11.3625 11.7791 11.7791 11.8644 11.8644 12.5851 12.5851 12.9106 12.9106 13.6427 13.6427 13.6787 13.6787 14.1140 14.1140 14.6984 14.6984 15.1705 15.1705 15.9301 15.9301 k = 0.0000 0.6796 0.5697 ( 4519 PWs) bands (ev): -42.7180 -42.7180 -42.6589 -42.6589 -19.5706 -19.5706 -19.4973 -19.4973 -18.9678 -18.9678 -18.9090 -18.9090 -18.8658 -18.8658 -18.7004 -18.7004 10.0651 10.0651 10.5526 10.5526 10.8153 10.8153 10.8763 10.8763 10.9687 10.9687 11.0653 11.0653 11.2398 11.2398 11.3781 11.3781 11.7752 11.7752 11.8791 11.8791 12.6253 12.6253 12.9642 12.9642 13.6492 13.6492 13.6561 13.6561 14.1258 14.1258 14.6691 14.6691 15.2182 15.2182 15.8961 15.8961 k = 0.0000 0.6944 0.5697 ( 4515 PWs) bands (ev): -42.7160 -42.7160 -42.6596 -42.6596 -19.5690 -19.5690 -19.5016 -19.5016 -18.9652 -18.9652 -18.9123 -18.9123 -18.8651 -18.8651 -18.7056 -18.7056 10.0940 10.0940 10.5643 10.5643 10.8118 10.8118 10.8712 10.8712 10.9461 10.9461 11.0431 11.0431 11.2295 11.2295 11.3948 11.3948 11.7720 11.7720 11.8934 11.8934 12.6634 12.6634 13.0161 13.0161 13.6274 13.6274 13.6596 13.6596 14.1374 14.1374 14.6408 14.6408 15.2660 15.2660 15.8613 15.8613 k = 0.0000 0.7092 0.5697 ( 4519 PWs) bands (ev): -42.7143 -42.7143 -42.6602 -42.6602 -19.5673 -19.5673 -19.5056 -19.5056 -18.9627 -18.9627 -18.9154 -18.9154 -18.8644 -18.8644 -18.7105 -18.7105 10.1197 10.1197 10.5763 10.5763 10.8082 10.8082 10.8653 10.8653 10.9251 10.9251 11.0224 11.0224 11.2188 11.2188 11.4109 11.4109 11.7696 11.7696 11.9070 11.9070 12.6993 12.6993 13.0650 13.0650 13.6044 13.6044 13.6630 13.6630 14.1490 14.1490 14.6137 14.6137 15.3134 15.3134 15.8265 15.8265 k = 0.0000 0.7239 0.5697 ( 4521 PWs) bands (ev): -42.7127 -42.7127 -42.6609 -42.6609 -19.5657 -19.5657 -19.5093 -19.5093 -18.9603 -18.9603 -18.9183 -18.9183 -18.8636 -18.8636 -18.7148 -18.7148 10.1417 10.1417 10.5884 10.5884 10.8042 10.8042 10.8574 10.8574 10.9074 10.9074 11.0037 11.0037 11.2084 11.2084 11.4256 11.4256 11.7681 11.7681 11.9198 11.9198 12.7328 12.7328 13.1093 13.1093 13.5837 13.5837 13.6642 13.6642 14.1605 14.1605 14.5877 14.5877 15.3599 15.3599 15.7923 15.7923 k = 0.0000 0.7387 0.5697 ( 4521 PWs) bands (ev): -42.7113 -42.7113 -42.6614 -42.6614 -19.5641 -19.5641 -19.5128 -19.5128 -18.9579 -18.9579 -18.9210 -18.9210 -18.8627 -18.8627 -18.7187 -18.7187 10.1595 10.1595 10.6004 10.6004 10.7996 10.7996 10.8470 10.8470 10.8945 10.8945 10.9873 10.9873 11.1984 11.1984 11.4381 11.4381 11.7673 11.7673 11.9318 11.9318 12.7639 12.7639 13.1469 13.1469 13.5663 13.5663 13.6642 13.6642 14.1721 14.1721 14.5629 14.5629 15.4049 15.4049 15.7590 15.7590 k = 0.0000 0.7535 0.5697 ( 4519 PWs) bands (ev): -42.7101 -42.7101 -42.6620 -42.6620 -19.5626 -19.5626 -19.5157 -19.5157 -18.9557 -18.9557 -18.9234 -18.9234 -18.8620 -18.8620 -18.7219 -18.7219 10.1725 10.1725 10.6119 10.6119 10.7940 10.7940 10.8354 10.8354 10.8862 10.8862 10.9738 10.9738 11.1893 11.1893 11.4479 11.4479 11.7674 11.7674 11.9426 11.9426 12.7922 12.7922 13.1757 13.1757 13.5529 13.5529 13.6642 13.6642 14.1838 14.1838 14.5393 14.5393 15.4475 15.4475 15.7270 15.7270 k = 0.0000 0.7535 0.5697 ( 4519 PWs) bands (ev): -42.7101 -42.7101 -42.6620 -42.6620 -19.5626 -19.5626 -19.5157 -19.5157 -18.9557 -18.9557 -18.9234 -18.9234 -18.8620 -18.8620 -18.7219 -18.7219 10.1725 10.1725 10.6119 10.6119 10.7940 10.7940 10.8354 10.8354 10.8862 10.8862 10.9738 10.9738 11.1893 11.1893 11.4479 11.4479 11.7674 11.7674 11.9426 11.9426 12.7922 12.7922 13.1757 13.1757 13.5529 13.5529 13.6642 13.6642 14.1838 14.1838 14.5393 14.5393 15.4475 15.4475 15.7270 15.7270 k = 0.0000 0.7609 0.5569 ( 4523 PWs) bands (ev): -42.7096 -42.7096 -42.6622 -42.6622 -19.5618 -19.5618 -19.5170 -19.5170 -18.9546 -18.9546 -18.9244 -18.9244 -18.8616 -18.8616 -18.7233 -18.7233 10.1713 10.1713 10.6099 10.6099 10.7882 10.7882 10.8281 10.8281 10.8792 10.8792 10.9621 10.9621 11.1803 11.1803 11.4495 11.4495 11.7678 11.7678 11.9559 11.9559 12.8068 12.8068 13.1731 13.1731 13.5522 13.5522 13.6736 13.6736 14.2082 14.2082 14.5248 14.5248 15.4749 15.4749 15.7476 15.7476 k = 0.0000 0.7682 0.5440 ( 4521 PWs) bands (ev): -42.7092 -42.7092 -42.6624 -42.6624 -19.5611 -19.5611 -19.5180 -19.5180 -18.9536 -18.9536 -18.9254 -18.9254 -18.8612 -18.8612 -18.7245 -18.7245 10.1691 10.1691 10.6080 10.6080 10.7840 10.7840 10.8212 10.8212 10.8731 10.8731 10.9522 10.9522 11.1724 11.1724 11.4509 11.4509 11.7682 11.7682 11.9681 11.9681 12.8198 12.8198 13.1704 13.1704 13.5499 13.5499 13.6839 13.6839 14.2319 14.2319 14.5098 14.5098 15.5008 15.5008 15.7661 15.7661 k = 0.0000 0.7756 0.5312 ( 4516 PWs) bands (ev): -42.7089 -42.7089 -42.6626 -42.6626 -19.5605 -19.5605 -19.5190 -19.5190 -18.9527 -18.9527 -18.9262 -18.9262 -18.8609 -18.8609 -18.7255 -18.7255 10.1665 10.1665 10.6061 10.6061 10.7811 10.7811 10.8147 10.8147 10.8679 10.8679 10.9440 10.9440 11.1655 11.1655 11.4521 11.4521 11.7685 11.7685 11.9790 11.9790 12.8312 12.8312 13.1677 13.1677 13.5469 13.5469 13.6938 13.6938 14.2547 14.2547 14.4943 14.4943 15.5248 15.5248 15.7823 15.7823 k = 0.0000 0.7830 0.5184 ( 4520 PWs) bands (ev): -42.7086 -42.7086 -42.6627 -42.6627 -19.5600 -19.5600 -19.5198 -19.5198 -18.9519 -18.9519 -18.9270 -18.9270 -18.8606 -18.8606 -18.7263 -18.7263 10.1638 10.1638 10.6043 10.6043 10.7796 10.7796 10.8090 10.8090 10.8635 10.8635 10.9375 10.9375 11.1598 11.1598 11.4531 11.4531 11.7687 11.7687 11.9882 11.9882 12.8408 12.8408 13.1653 13.1653 13.5440 13.5440 13.7027 13.7027 14.2762 14.2762 14.4787 14.4787 15.5462 15.5462 15.7961 15.7961 k = 0.0000 0.7904 0.5056 ( 4524 PWs) bands (ev): -42.7083 -42.7083 -42.6628 -42.6628 -19.5596 -19.5596 -19.5204 -19.5204 -18.9512 -18.9512 -18.9276 -18.9276 -18.8604 -18.8604 -18.7270 -18.7270 10.1614 10.1614 10.6026 10.6026 10.7790 10.7790 10.8041 10.8041 10.8601 10.8601 10.9326 10.9326 11.1553 11.1553 11.4540 11.4540 11.7689 11.7689 11.9956 11.9956 12.8484 12.8484 13.1633 13.1633 13.5415 13.5415 13.7099 13.7099 14.2959 14.2959 14.4636 14.4636 15.5641 15.5641 15.8070 15.8070 k = 0.0000 0.7977 0.4927 ( 4527 PWs) bands (ev): -42.7081 -42.7081 -42.6629 -42.6629 -19.5593 -19.5593 -19.5209 -19.5209 -18.9507 -18.9507 -18.9280 -18.9280 -18.8602 -18.8602 -18.7274 -18.7274 10.1595 10.1595 10.6013 10.6013 10.7791 10.7791 10.8002 10.8002 10.8575 10.8575 10.9292 10.9292 11.1521 11.1521 11.4545 11.4545 11.7690 11.7690 12.0010 12.0010 12.8539 12.8539 13.1618 13.1618 13.5396 13.5396 13.7152 13.7152 14.3127 14.3127 14.4500 14.4500 15.5778 15.5778 15.8150 15.8150 k = 0.0000 0.8051 0.4799 ( 4520 PWs) bands (ev): -42.7080 -42.7080 -42.6630 -42.6630 -19.5591 -19.5591 -19.5212 -19.5212 -18.9504 -18.9504 -18.9283 -18.9283 -18.8601 -18.8601 -18.7277 -18.7277 10.1583 10.1583 10.6005 10.6005 10.7795 10.7795 10.7976 10.7976 10.8559 10.8559 10.9272 10.9272 11.1501 11.1501 11.4549 11.4549 11.7691 11.7691 12.0043 12.0043 12.8572 12.8572 13.1608 13.1608 13.5384 13.5384 13.7185 13.7185 14.3247 14.3247 14.4400 14.4400 15.5864 15.5864 15.8199 15.8199 k = 0.0000 0.8125 0.4671 ( 4518 PWs) bands (ev): -42.7080 -42.7080 -42.6630 -42.6630 -19.5590 -19.5590 -19.5213 -19.5213 -18.9503 -18.9503 -18.9284 -18.9284 -18.8601 -18.8601 -18.7278 -18.7278 10.1579 10.1579 10.6002 10.6002 10.7797 10.7797 10.7967 10.7967 10.8554 10.8554 10.9265 10.9265 11.1495 11.1495 11.4550 11.4550 11.7691 11.7691 12.0054 12.0054 12.8583 12.8583 13.1605 13.1605 13.5380 13.5380 13.7196 13.7196 14.3293 14.3293 14.4361 14.4361 15.5893 15.5893 15.8216 15.8216 k = 0.0000 0.8125 0.4671 ( 4518 PWs) bands (ev): -42.7080 -42.7080 -42.6630 -42.6630 -19.5590 -19.5590 -19.5213 -19.5213 -18.9503 -18.9503 -18.9284 -18.9284 -18.8601 -18.8601 -18.7278 -18.7278 10.1579 10.1579 10.6002 10.6002 10.7797 10.7797 10.7967 10.7967 10.8554 10.8554 10.9265 10.9265 11.1495 11.1495 11.4550 11.4550 11.7691 11.7691 12.0054 12.0054 12.8583 12.8583 13.1605 13.1605 13.5380 13.5380 13.7196 13.7196 14.3293 14.3293 14.4361 14.4361 15.5893 15.5893 15.8216 15.8216 k = 0.0147 0.8125 0.4671 ( 4522 PWs) bands (ev): -42.7080 -42.7080 -42.6630 -42.6630 -19.5592 -19.5592 -19.5214 -19.5214 -18.9511 -18.9511 -18.9280 -18.9280 -18.8597 -18.8597 -18.7275 -18.7275 10.1565 10.1565 10.5991 10.5991 10.7664 10.7664 10.8063 10.8063 10.8576 10.8576 10.9224 10.9224 11.1544 11.1544 11.4571 11.4571 11.7609 11.7609 12.0151 12.0151 12.8591 12.8591 13.1615 13.1615 13.5374 13.5374 13.7197 13.7197 14.3293 14.3293 14.4378 14.4378 15.5890 15.5890 15.8218 15.8218 k = 0.0294 0.8125 0.4671 ( 4520 PWs) bands (ev): -42.7079 -42.7079 -42.6631 -42.6631 -19.5597 -19.5597 -19.5218 -19.5218 -18.9532 -18.9532 -18.9270 -18.9270 -18.8585 -18.8585 -18.7265 -18.7265 10.1526 10.1526 10.5957 10.5957 10.7447 10.7447 10.8175 10.8175 10.8608 10.8608 10.9142 10.9142 11.1678 11.1678 11.4634 11.4634 11.7394 11.7394 12.0410 12.0410 12.8614 12.8614 13.1643 13.1643 13.5355 13.5355 13.7199 13.7199 14.3295 14.3295 14.4428 14.4428 15.5881 15.5881 15.8226 15.8226 k = 0.0441 0.8125 0.4671 ( 4520 PWs) bands (ev): -42.7078 -42.7078 -42.6632 -42.6632 -19.5606 -19.5606 -19.5225 -19.5225 -18.9562 -18.9562 -18.9259 -18.9259 -18.8564 -18.8564 -18.7249 -18.7249 10.1461 10.1461 10.5901 10.5901 10.7209 10.7209 10.8264 10.8264 10.8546 10.8546 10.9131 10.9131 11.1867 11.1867 11.4737 11.4737 11.7103 11.7103 12.0774 12.0774 12.8653 12.8653 13.1691 13.1691 13.5324 13.5324 13.7202 13.7202 14.3298 14.3298 14.4511 14.4511 15.5865 15.5865 15.8239 15.8239 k = 0.0588 0.8125 0.4671 ( 4524 PWs) bands (ev): -42.7076 -42.7076 -42.6634 -42.6634 -19.5619 -19.5619 -19.5234 -19.5234 -18.9597 -18.9597 -18.9252 -18.9252 -18.8534 -18.8534 -18.7227 -18.7227 10.1374 10.1374 10.5819 10.5819 10.6962 10.6962 10.8266 10.8266 10.8426 10.8426 10.9233 10.9233 11.2084 11.2084 11.4878 11.4878 11.6777 11.6777 12.1203 12.1203 12.8708 12.8708 13.1758 13.1758 13.5281 13.5281 13.7206 13.7206 14.3302 14.3302 14.4626 14.4626 15.5843 15.5843 15.8261 15.8261 k = 0.0735 0.8125 0.4671 ( 4522 PWs) bands (ev): -42.7074 -42.7074 -42.6636 -42.6636 -19.5634 -19.5634 -19.5246 -19.5246 -18.9633 -18.9633 -18.9249 -18.9249 -18.8496 -18.8496 -18.7201 -18.7201 10.1267 10.1267 10.5710 10.5710 10.6711 10.6711 10.8030 10.8030 10.8482 10.8482 10.9383 10.9383 11.2309 11.2309 11.5052 11.5052 11.6443 11.6443 12.1674 12.1674 12.8778 12.8778 13.1843 13.1843 13.5228 13.5228 13.7208 13.7208 14.3309 14.3309 14.4771 14.4771 15.5813 15.5813 15.8291 15.8291 k = 0.0882 0.8125 0.4671 ( 4526 PWs) bands (ev): -42.7071 -42.7071 -42.6639 -42.6639 -19.5653 -19.5653 -19.5261 -19.5261 -18.9670 -18.9670 -18.9253 -18.9253 -18.8449 -18.8449 -18.7169 -18.7169 10.1143 10.1143 10.5573 10.5573 10.6459 10.6459 10.7740 10.7740 10.8575 10.8575 10.9546 10.9546 11.2531 11.2531 11.5245 11.5245 11.6126 11.6126 12.2175 12.2175 12.8864 12.8864 13.1947 13.1947 13.5167 13.5167 13.7207 13.7207 14.3319 14.3319 14.4947 14.4947 15.5775 15.5775 15.8332 15.8332 k = 0.1029 0.8125 0.4671 ( 4530 PWs) bands (ev): -42.7068 -42.7068 -42.6642 -42.6642 -19.5674 -19.5674 -19.5279 -19.5279 -18.9707 -18.9707 -18.9263 -18.9263 -18.8394 -18.8394 -18.7134 -18.7134 10.1005 10.1005 10.5406 10.5406 10.6204 10.6204 10.7446 10.7446 10.8674 10.8674 10.9711 10.9711 11.2741 11.2741 11.5381 11.5381 11.5907 11.5907 12.2698 12.2698 12.8966 12.8966 13.2068 13.2068 13.5098 13.5098 13.7203 13.7203 14.3331 14.3331 14.5150 14.5150 15.5728 15.5728 15.8384 15.8384 k = 0.1176 0.8125 0.4671 ( 4528 PWs) bands (ev): -42.7065 -42.7065 -42.6645 -42.6645 -19.5697 -19.5697 -19.5299 -19.5299 -18.9742 -18.9742 -18.9279 -18.9279 -18.8332 -18.8332 -18.7096 -18.7096 10.0857 10.0857 10.5211 10.5211 10.5944 10.5944 10.7162 10.7162 10.8775 10.8775 10.9874 10.9874 11.2933 11.2933 11.5257 11.5257 11.5991 11.5991 12.3236 12.3236 12.9086 12.9086 13.2206 13.2206 13.5023 13.5023 13.7193 13.7193 14.3346 14.3346 14.5381 14.5381 15.5671 15.5671 15.8448 15.8448 k = 0.1324 0.8125 0.4671 ( 4532 PWs) bands (ev): -42.7061 -42.7061 -42.6649 -42.6649 -19.5722 -19.5722 -19.5322 -19.5322 -18.9775 -18.9775 -18.9299 -18.9299 -18.8266 -18.8266 -18.7055 -18.7055 10.0700 10.0700 10.4991 10.4991 10.5678 10.5678 10.6896 10.6896 10.8875 10.8875 11.0035 11.0035 11.3102 11.3102 11.4988 11.4988 11.6268 11.6268 12.3783 12.3783 12.9227 12.9227 13.2361 13.2361 13.4944 13.4944 13.7174 13.7174 14.3364 14.3364 14.5637 14.5637 15.5603 15.5603 15.8525 15.8525 k = 0.1471 0.8125 0.4671 ( 4532 PWs) bands (ev): -42.7056 -42.7056 -42.6653 -42.6653 -19.5749 -19.5749 -19.5347 -19.5347 -18.9807 -18.9807 -18.9322 -18.9322 -18.8194 -18.8194 -18.7013 -18.7013 10.0539 10.0539 10.4750 10.4750 10.5405 10.5405 10.6652 10.6652 10.8973 10.8973 11.0193 11.0193 11.3242 11.3242 11.4708 11.4708 11.6606 11.6606 12.4333 12.4333 12.9390 12.9390 13.2530 13.2530 13.4863 13.4863 13.7147 13.7147 14.3384 14.3384 14.5917 14.5917 15.5522 15.5522 15.8615 15.8615 k = 0.1618 0.8125 0.4671 ( 4536 PWs) bands (ev): -42.7052 -42.7052 -42.6658 -42.6658 -19.5777 -19.5777 -19.5374 -19.5374 -18.9836 -18.9836 -18.9348 -18.9348 -18.8119 -18.8119 -18.6969 -18.6969 10.0375 10.0375 10.4490 10.4490 10.5128 10.5128 10.6426 10.6426 10.9065 10.9065 11.0348 11.0348 11.3343 11.3343 11.4450 11.4450 11.6981 11.6981 12.4879 12.4879 12.9582 12.9582 13.2713 13.2713 13.4783 13.4783 13.7109 13.7109 14.3406 14.3406 14.6220 14.6220 15.5427 15.5427 15.8718 15.8718 k = 0.1765 0.8125 0.4671 ( 4534 PWs) bands (ev): -42.7046 -42.7046 -42.6664 -42.6664 -19.5806 -19.5806 -19.5404 -19.5404 -18.9864 -18.9864 -18.9377 -18.9377 -18.8042 -18.8042 -18.6925 -18.6925 10.0210 10.0210 10.4213 10.4213 10.4854 10.4854 10.6216 10.6216 10.9151 10.9151 11.0501 11.0501 11.3385 11.3385 11.4242 11.4242 11.7382 11.7382 12.5410 12.5410 12.9809 12.9809 13.2907 13.2907 13.4706 13.4706 13.7059 13.7059 14.3429 14.3429 14.6545 14.6545 15.5316 15.5316 15.8834 15.8834 k = 0.1912 0.8125 0.4671 ( 4532 PWs) bands (ev): -42.7041 -42.7041 -42.6669 -42.6669 -19.5835 -19.5835 -19.5435 -19.5435 -18.9888 -18.9888 -18.9406 -18.9406 -18.7962 -18.7962 -18.6882 -18.6882 10.0048 10.0048 10.3920 10.3920 10.4591 10.4591 10.6015 10.6015 10.9231 10.9231 11.0650 11.0650 11.3343 11.3343 11.4113 11.4113 11.7807 11.7807 12.5916 12.5916 13.0079 13.0079 13.3107 13.3107 13.4636 13.4636 13.6996 13.6996 14.3450 14.3450 14.6889 14.6889 15.5188 15.5188 15.8961 15.8961 k = 0.2059 0.8125 0.4671 ( 4534 PWs) bands (ev): -42.7034 -42.7034 -42.6675 -42.6675 -19.5864 -19.5864 -19.5468 -19.5468 -18.9911 -18.9911 -18.9437 -18.9437 -18.7881 -18.7881 -18.6838 -18.6838 9.9888 9.9888 10.3616 10.3616 10.4341 10.4341 10.5821 10.5821 10.9305 10.9305 11.0795 11.0795 11.3215 11.3215 11.4066 11.4066 11.8251 11.8251 12.6384 12.6384 13.0401 13.0401 13.3307 13.3307 13.4582 13.4582 13.6919 13.6919 14.3468 14.3468 14.7252 14.7252 15.5039 15.5039 15.9098 15.9098 k = 0.2206 0.8125 0.4671 ( 4532 PWs) bands (ev): -42.7028 -42.7028 -42.6682 -42.6682 -19.5893 -19.5893 -19.5503 -19.5503 -18.9931 -18.9931 -18.9468 -18.9468 -18.7800 -18.7800 -18.6796 -18.6796 9.9734 9.9734 10.3303 10.3303 10.4107 10.4107 10.5629 10.5629 10.9374 10.9374 11.0934 11.0934 11.3041 11.3041 11.4067 11.4067 11.8712 11.8712 12.6805 12.6805 13.0784 13.0784 13.3494 13.3494 13.4556 13.4556 13.6828 13.6828 14.3480 14.3480 14.7633 14.7633 15.4869 15.4869 15.9244 15.9244 k = 0.2353 0.8125 0.4671 ( 4528 PWs) bands (ev): -42.7021 -42.7021 -42.6688 -42.6688 -19.5922 -19.5922 -19.5539 -19.5539 -18.9949 -18.9949 -18.9499 -18.9499 -18.7718 -18.7718 -18.6756 -18.6756 9.9586 9.9586 10.2986 10.2986 10.3890 10.3890 10.5439 10.5439 10.9436 10.9436 11.1064 11.1064 11.2855 11.2855 11.4084 11.4084 11.9187 11.9187 12.7171 12.7171 13.1232 13.1232 13.3646 13.3646 13.4580 13.4580 13.6724 13.6724 14.3485 14.3485 14.8028 14.8028 15.4676 15.4676 15.9395 15.9395 k = 0.2500 0.8125 0.4671 ( 4530 PWs) bands (ev): -42.7014 -42.7014 -42.6696 -42.6696 -19.5950 -19.5950 -19.5576 -19.5576 -18.9964 -18.9964 -18.9530 -18.9530 -18.7636 -18.7636 -18.6717 -18.6717 9.9445 9.9445 10.2669 10.2669 10.3689 10.3689 10.5248 10.5248 10.9494 10.9494 11.1182 11.1182 11.2677 11.2677 11.4101 11.4101 11.9674 11.9674 12.7480 12.7480 13.1742 13.1742 13.3741 13.3741 13.4678 13.4678 13.6606 13.6606 14.3479 14.3479 14.8436 14.8436 15.4458 15.4458 15.9549 15.9549 k = 0.2647 0.8125 0.4671 ( 4530 PWs) bands (ev): -42.7006 -42.7006 -42.6703 -42.6703 -19.5977 -19.5977 -19.5614 -19.5614 -18.9977 -18.9977 -18.9561 -18.9561 -18.7555 -18.7555 -18.6681 -18.6681 9.9313 9.9313 10.2356 10.2356 10.3504 10.3504 10.5058 10.5058 10.9549 10.9549 11.1283 11.1283 11.2520 11.2520 11.4112 11.4112 12.0170 12.0170 12.7735 12.7735 13.2306 13.2306 13.3780 13.3780 13.4851 13.4851 13.6476 13.6476 14.3460 14.3460 14.8854 14.8854 15.4215 15.4215 15.9700 15.9700 k = 0.2794 0.8125 0.4671 ( 4524 PWs) bands (ev): -42.6998 -42.6998 -42.6711 -42.6711 -19.6002 -19.6002 -19.5652 -19.5652 -18.9988 -18.9988 -18.9592 -18.9592 -18.7475 -18.7475 -18.6647 -18.6647 9.9191 9.9191 10.2048 10.2048 10.3334 10.3334 10.4867 10.4867 10.9599 10.9599 11.1355 11.1355 11.2397 11.2397 11.4115 11.4115 12.0673 12.0673 12.7942 12.7942 13.2900 13.2900 13.3795 13.3795 13.5079 13.5079 13.6336 13.6336 14.3426 14.3426 14.9278 14.9278 15.3949 15.3949 15.9843 15.9843 k = 0.2941 0.8125 0.4671 ( 4526 PWs) bands (ev): -42.6990 -42.6990 -42.6719 -42.6719 -19.6026 -19.6026 -19.5690 -19.5690 -18.9997 -18.9997 -18.9621 -18.9621 -18.7397 -18.7397 -18.6616 -18.6616 9.9079 9.9079 10.1749 10.1749 10.3180 10.3180 10.4677 10.4677 10.9647 10.9647 11.1389 11.1389 11.2319 11.2319 11.4110 11.4110 12.1181 12.1181 12.8108 12.8108 13.3414 13.3414 13.3907 13.3907 13.5336 13.5336 13.6192 13.6192 14.3376 14.3376 14.9700 14.9700 15.3663 15.3663 15.9971 15.9971 k = 0.3088 0.8125 0.4671 ( 4526 PWs) bands (ev): -42.6982 -42.6982 -42.6727 -42.6727 -19.6048 -19.6048 -19.5728 -19.5728 -19.0004 -19.0004 -18.9650 -18.9650 -18.7320 -18.7320 -18.6589 -18.6589 9.8979 9.8979 10.1460 10.1460 10.3041 10.3041 10.4489 10.4489 10.9693 10.9693 11.1375 11.1375 11.2296 11.2296 11.4095 11.4095 12.1692 12.1692 12.8240 12.8240 13.3556 13.3556 13.4411 13.4411 13.5588 13.5588 13.6071 13.6071 14.3306 14.3306 15.0106 15.0106 15.3368 15.3368 16.0075 16.0075 k = 0.3235 0.8125 0.4671 ( 4522 PWs) bands (ev): -42.6973 -42.6973 -42.6736 -42.6736 -19.6068 -19.6068 -19.5766 -19.5766 -19.0009 -19.0009 -18.9679 -18.9679 -18.7245 -18.7245 -18.6565 -18.6565 9.8891 9.8891 10.1182 10.1182 10.2917 10.2917 10.4303 10.4303 10.9738 10.9738 11.1321 11.1321 11.2321 11.2321 11.4073 11.4073 12.2203 12.2203 12.8340 12.8340 13.3542 13.3542 13.5075 13.5075 13.5698 13.5698 13.6112 13.6112 14.3218 14.3218 15.0469 15.0469 15.3090 15.3090 16.0146 16.0146 k = 0.3382 0.8125 0.4671 ( 4520 PWs) bands (ev): -42.6964 -42.6964 -42.6745 -42.6745 -19.6086 -19.6086 -19.5803 -19.5803 -19.0012 -19.0012 -18.9706 -18.9706 -18.7173 -18.7173 -18.6544 -18.6544 9.8815 9.8815 10.0915 10.0915 10.2809 10.2809 10.4120 10.4120 10.9781 10.9781 11.1239 11.1239 11.2379 11.2379 11.4043 11.4043 12.2712 12.2712 12.8414 12.8414 13.3506 13.3506 13.5499 13.5499 13.5855 13.5855 13.6393 13.6393 14.3111 14.3111 15.0728 15.0728 15.2886 15.2886 16.0174 16.0174 k = 0.3529 0.8125 0.4671 ( 4512 PWs) bands (ev): -42.6955 -42.6955 -42.6754 -42.6754 -19.6101 -19.6101 -19.5840 -19.5840 -19.0013 -19.0013 -18.9732 -18.9732 -18.7103 -18.7103 -18.6528 -18.6528 9.8753 9.8753 10.0662 10.0662 10.2716 10.2716 10.3942 10.3942 10.9824 10.9824 11.1145 11.1145 11.2456 11.2456 11.4005 11.4005 12.3217 12.3217 12.8462 12.8462 13.3467 13.3467 13.5360 13.5360 13.6447 13.6447 13.6821 13.6821 14.2986 14.2986 15.0787 15.0787 15.2853 15.2853 16.0150 16.0150 k = 0.3676 0.8125 0.4671 ( 4516 PWs) bands (ev): -42.6945 -42.6945 -42.6764 -42.6764 -19.6114 -19.6114 -19.5875 -19.5875 -19.0012 -19.0012 -18.9758 -18.9758 -18.7036 -18.7036 -18.6515 -18.6515 9.8704 9.8704 10.0422 10.0422 10.2639 10.2639 10.3770 10.3770 10.9867 10.9867 11.1046 11.1046 11.2544 11.2544 11.3961 11.3961 12.3714 12.3714 12.8485 12.8485 13.3432 13.3432 13.5174 13.5174 13.6884 13.6884 13.7458 13.7458 14.2847 14.2847 15.0597 15.0597 15.3039 15.3039 16.0067 16.0067 k = 0.3824 0.8125 0.4671 ( 4514 PWs) bands (ev): -42.6936 -42.6936 -42.6773 -42.6773 -19.6125 -19.6125 -19.5908 -19.5908 -19.0010 -19.0010 -18.9782 -18.9782 -18.6972 -18.6972 -18.6507 -18.6507 9.8669 9.8669 10.0196 10.0196 10.2578 10.2578 10.3604 10.3604 10.9910 10.9910 11.0948 11.0948 11.2636 11.2636 11.3912 11.3912 12.4202 12.4202 12.8482 12.8482 13.3404 13.3404 13.4979 13.4979 13.7247 13.7247 13.8175 13.8175 14.2702 14.2702 15.0218 15.0218 15.3380 15.3380 15.9923 15.9923 k = 0.3971 0.8125 0.4671 ( 4516 PWs) bands (ev): -42.6926 -42.6926 -42.6783 -42.6783 -19.6132 -19.6132 -19.5940 -19.5940 -19.0006 -19.0006 -18.9805 -18.9805 -18.6912 -18.6912 -18.6502 -18.6502 9.8649 9.8649 9.9984 9.9984 10.2533 10.2533 10.3447 10.3447 10.9954 10.9954 11.0853 11.0853 11.2730 11.2730 11.3856 11.3856 12.4676 12.4676 12.8454 12.8454 13.3385 13.3385 13.4781 13.4781 13.7596 13.7596 13.8889 13.8889 14.2564 14.2564 14.9728 14.9728 15.3802 15.3802 15.9719 15.9719 k = 0.4118 0.8125 0.4671 ( 4510 PWs) bands (ev): -42.6916 -42.6916 -42.6793 -42.6793 -19.6137 -19.6137 -19.5971 -19.5971 -19.0000 -19.0000 -18.9828 -18.9828 -18.6855 -18.6855 -18.6503 -18.6503 9.8644 9.8644 9.9788 9.9788 10.2503 10.2503 10.3299 10.3299 11.0000 11.0000 11.0762 11.0762 11.2824 11.2824 11.3797 11.3797 12.5134 12.5134 12.8397 12.8397 13.3377 13.3377 13.4586 13.4586 13.7942 13.7942 13.9553 13.9553 14.2464 14.2464 14.9168 14.9168 15.4262 15.4262 15.9461 15.9461 k = 0.4265 0.8125 0.4671 ( 4510 PWs) bands (ev): -42.6906 -42.6906 -42.6803 -42.6803 -19.6139 -19.6139 -19.5999 -19.5999 -18.9993 -18.9993 -18.9849 -18.9849 -18.6802 -18.6802 -18.6507 -18.6507 9.8653 9.8653 9.9607 9.9607 10.2489 10.2489 10.3161 10.3161 11.0046 11.0046 11.0676 11.0676 11.2917 11.2917 11.3732 11.3732 12.5573 12.5573 12.8311 12.8311 13.3382 13.3382 13.4397 13.4397 13.8286 13.8286 14.0100 14.0100 14.2465 14.2465 14.8559 14.8559 15.4741 15.4741 15.9155 15.9155 k = 0.4412 0.8125 0.4671 ( 4504 PWs) bands (ev): -42.6896 -42.6896 -42.6813 -42.6813 -19.6137 -19.6137 -19.6025 -19.6025 -18.9984 -18.9984 -18.9869 -18.9869 -18.6753 -18.6753 -18.6517 -18.6517 9.8678 9.8678 9.9440 9.9440 10.2491 10.2491 10.3034 10.3034 11.0095 11.0095 11.0595 11.0595 11.3009 11.3009 11.3664 11.3664 12.5990 12.5990 12.8193 12.8193 13.3401 13.3401 13.4218 13.4218 13.8626 13.8626 14.0427 14.0427 14.2668 14.2668 14.7913 14.7913 15.5227 15.5227 15.8808 15.8808 k = 0.4559 0.8125 0.4671 ( 4510 PWs) bands (ev): -42.6886 -42.6886 -42.6823 -42.6823 -19.6133 -19.6133 -19.6048 -19.6048 -18.9975 -18.9975 -18.9887 -18.9887 -18.6709 -18.6709 -18.6531 -18.6531 9.8718 9.8718 9.9290 9.9290 10.2508 10.2508 10.2918 10.2918 11.0146 11.0146 11.0518 11.0518 11.3100 11.3100 11.3592 11.3592 12.6380 12.6380 12.8040 12.8040 13.3437 13.3437 13.4052 13.4052 13.8961 13.8961 14.0492 14.0492 14.3112 14.3112 14.7238 14.7238 15.5715 15.5715 15.8427 15.8427 k = 0.4706 0.8125 0.4671 ( 4506 PWs) bands (ev): -42.6875 -42.6875 -42.6834 -42.6834 -19.6126 -19.6126 -19.6069 -19.6069 -18.9963 -18.9963 -18.9905 -18.9905 -18.6668 -18.6668 -18.6549 -18.6549 9.8774 9.8774 9.9155 9.9155 10.2540 10.2540 10.2815 10.2815 11.0199 11.0199 11.0447 11.0447 11.3188 11.3188 11.3517 11.3517 12.6742 12.6742 12.7853 12.7853 13.3491 13.3491 13.3902 13.3902 13.9288 13.9288 14.0376 14.0376 14.3718 14.3718 14.6541 14.6541 15.6198 15.6198 15.8019 15.8019 k = 0.4853 0.8125 0.4671 ( 4506 PWs) bands (ev): -42.6865 -42.6865 -42.6844 -42.6844 -19.6116 -19.6116 -19.6088 -19.6088 -18.9951 -18.9951 -18.9921 -18.9921 -18.6631 -18.6631 -18.6572 -18.6572 9.8846 9.8846 9.9036 9.9036 10.2587 10.2587 10.2725 10.2725 11.0256 11.0256 11.0379 11.0379 11.3274 11.3274 11.3438 11.3438 12.7072 12.7072 12.7629 12.7629 13.3564 13.3564 13.3770 13.3770 13.9602 13.9602 14.0163 14.0163 14.4400 14.4400 14.5829 14.5829 15.6674 15.6674 15.7588 15.7588 k = 0.5000 0.8125 0.4671 ( 4504 PWs) bands (ev): -42.6854 -42.6854 -42.6854 -42.6854 -19.6103 -19.6103 -19.6103 -19.6103 -18.9937 -18.9937 -18.9937 -18.9937 -18.6599 -18.6599 -18.6599 -18.6599 9.8933 9.8933 9.8933 9.8933 10.2649 10.2649 10.2649 10.2649 11.0316 11.0316 11.0316 11.0316 11.3357 11.3357 11.3357 11.3357 12.7368 12.7368 12.7368 12.7368 13.3657 13.3657 13.3657 13.3657 13.9898 13.9898 13.9898 13.9898 14.5111 14.5111 14.5111 14.5111 15.7138 15.7138 15.7138 15.7138 k = 0.5000 0.8125 0.4671 ( 4504 PWs) bands (ev): -42.6854 -42.6854 -42.6854 -42.6854 -19.6103 -19.6103 -19.6103 -19.6103 -18.9937 -18.9937 -18.9937 -18.9937 -18.6599 -18.6599 -18.6599 -18.6599 9.8933 9.8933 9.8933 9.8933 10.2649 10.2649 10.2649 10.2649 11.0316 11.0316 11.0316 11.0316 11.3357 11.3357 11.3357 11.3357 12.7368 12.7368 12.7368 12.7368 13.3657 13.3657 13.3657 13.3657 13.9898 13.9898 13.9898 13.9898 14.5111 14.5111 14.5111 14.5111 15.7138 15.7138 15.7138 15.7138 k = 0.5000 0.8199 0.4542 ( 4510 PWs) bands (ev): -42.6854 -42.6854 -42.6854 -42.6854 -19.6103 -19.6103 -19.6103 -19.6103 -18.9940 -18.9940 -18.9933 -18.9933 -18.6602 -18.6602 -18.6597 -18.6597 9.8929 9.8929 9.8951 9.8951 10.2647 10.2647 10.2663 10.2663 11.0318 11.0318 11.0330 11.0330 11.3349 11.3349 11.3374 11.3374 12.7352 12.7352 12.7359 12.7359 13.3628 13.3628 13.3663 13.3663 13.9827 13.9827 13.9878 13.9878 14.5130 14.5130 14.5157 14.5157 15.7107 15.7107 15.7111 15.7111 k = 0.5000 0.8273 0.4414 ( 4514 PWs) bands (ev): -42.6855 -42.6855 -42.6855 -42.6855 -19.6103 -19.6103 -19.6101 -19.6101 -18.9943 -18.9943 -18.9930 -18.9930 -18.6605 -18.6605 -18.6594 -18.6594 9.8940 9.8940 9.8983 9.8983 10.2656 10.2656 10.2688 10.2688 11.0338 11.0338 11.0362 11.0362 11.3350 11.3350 11.3399 11.3399 12.7310 12.7310 12.7325 12.7325 13.3576 13.3576 13.3646 13.3646 13.9673 13.9673 13.9771 13.9771 14.5210 14.5210 14.5262 14.5262 15.7019 15.7019 15.7026 15.7026 k = 0.5000 0.8346 0.4286 ( 4510 PWs) bands (ev): -42.6855 -42.6855 -42.6855 -42.6855 -19.6101 -19.6101 -19.6099 -19.6099 -18.9946 -18.9946 -18.9926 -18.9926 -18.6609 -18.6609 -18.6591 -18.6591 9.8965 9.8965 9.9028 9.9028 10.2676 10.2676 10.2724 10.2724 11.0375 11.0375 11.0411 11.0411 11.3359 11.3359 11.3433 11.3433 12.7243 12.7243 12.7264 12.7264 13.3501 13.3501 13.3605 13.3605 13.9450 13.9450 13.9591 13.9591 14.5341 14.5341 14.5414 14.5414 15.6873 15.6873 15.6882 15.6882 k = 0.5000 0.8420 0.4157 ( 4516 PWs) bands (ev): -42.6856 -42.6856 -42.6856 -42.6856 -19.6099 -19.6099 -19.6095 -19.6095 -18.9948 -18.9948 -18.9922 -18.9922 -18.6612 -18.6612 -18.6589 -18.6589 9.9002 9.9002 9.9086 9.9086 10.2709 10.2709 10.2773 10.2773 11.0429 11.0429 11.0477 11.0477 11.3376 11.3376 11.3476 11.3476 12.7150 12.7150 12.7176 12.7176 13.3404 13.3404 13.3541 13.3541 13.9174 13.9174 13.9352 13.9352 14.5507 14.5507 14.5594 14.5594 15.6667 15.6667 15.6679 15.6679 k = 0.5000 0.8494 0.4029 ( 4516 PWs) bands (ev): -42.6857 -42.6857 -42.6856 -42.6856 -19.6096 -19.6096 -19.6092 -19.6092 -18.9951 -18.9951 -18.9918 -18.9918 -18.6616 -18.6616 -18.6587 -18.6587 9.9052 9.9052 9.9156 9.9156 10.2755 10.2755 10.2833 10.2833 11.0498 11.0498 11.0559 11.0559 11.3402 11.3402 11.3528 11.3528 12.7030 12.7030 12.7061 12.7061 13.3284 13.3284 13.3453 13.3453 13.8862 13.8862 13.9074 13.9074 14.5690 14.5690 14.5789 14.5789 15.6402 15.6402 15.6415 15.6415 k = 0.5000 0.8568 0.3901 ( 4518 PWs) bands (ev): -42.6858 -42.6858 -42.6857 -42.6857 -19.6092 -19.6092 -19.6087 -19.6087 -18.9953 -18.9953 -18.9914 -18.9914 -18.6619 -18.6619 -18.6585 -18.6585 9.9114 9.9114 9.9237 9.9237 10.2814 10.2814 10.2906 10.2906 11.0582 11.0582 11.0657 11.0657 11.3436 11.3436 11.3589 11.3589 12.6884 12.6884 12.6918 12.6918 13.3141 13.3141 13.3340 13.3340 13.8531 13.8531 13.8771 13.8771 14.5877 14.5877 14.5985 14.5985 15.6078 15.6078 15.6090 15.6090 k = 0.5000 0.8641 0.3773 ( 4522 PWs) bands (ev): -42.6859 -42.6859 -42.6858 -42.6858 -19.6087 -19.6087 -19.6081 -19.6081 -18.9956 -18.9956 -18.9910 -18.9910 -18.6623 -18.6623 -18.6583 -18.6583 9.9185 9.9185 9.9326 9.9326 10.2888 10.2888 10.2994 10.2994 11.0680 11.0680 11.0769 11.0769 11.3478 11.3478 11.3659 11.3659 12.6709 12.6709 12.6746 12.6746 13.2977 13.2977 13.3203 13.3203 13.8193 13.8193 13.8456 13.8456 14.6056 14.6056 14.6171 14.6171 15.5696 15.5696 15.5707 15.5707 k = 0.5000 0.8715 0.3644 ( 4518 PWs) bands (ev): -42.6860 -42.6860 -42.6860 -42.6860 -19.6082 -19.6082 -19.6075 -19.6075 -18.9958 -18.9958 -18.9905 -18.9905 -18.6627 -18.6627 -18.6581 -18.6581 9.9265 9.9265 9.9424 9.9424 10.2978 10.2978 10.3096 10.3096 11.0792 11.0792 11.0896 11.0896 11.3529 11.3529 11.3738 11.3738 12.6507 12.6507 12.6543 12.6543 13.2793 13.2793 13.3041 13.3041 13.7856 13.7856 13.8140 13.8140 14.6218 14.6218 14.6339 14.6339 15.5259 15.5259 15.5269 15.5269 k = 0.5000 0.8715 0.3644 ( 4518 PWs) bands (ev): -42.6860 -42.6860 -42.6860 -42.6860 -19.6082 -19.6082 -19.6075 -19.6075 -18.9958 -18.9958 -18.9905 -18.9905 -18.6627 -18.6627 -18.6581 -18.6581 9.9265 9.9265 9.9424 9.9424 10.2978 10.2978 10.3096 10.3096 11.0792 11.0792 11.0896 11.0896 11.3529 11.3529 11.3738 11.3738 12.6507 12.6507 12.6543 12.6543 13.2793 13.2793 13.3041 13.3041 13.7856 13.7856 13.8140 13.8140 14.6218 14.6218 14.6339 14.6339 15.5259 15.5259 15.5269 15.5269 k = 0.5000 0.8697 0.3498 ( 4518 PWs) bands (ev): -42.6859 -42.6859 -42.6859 -42.6859 -19.6085 -19.6085 -19.6078 -19.6078 -18.9958 -18.9958 -18.9908 -18.9908 -18.6627 -18.6627 -18.6582 -18.6582 9.9388 9.9388 9.9549 9.9549 10.3065 10.3065 10.3182 10.3182 11.0880 11.0880 11.0991 11.0991 11.3576 11.3576 11.3799 11.3799 12.6423 12.6423 12.6459 12.6459 13.2566 13.2566 13.2815 13.2815 13.7679 13.7679 13.7962 13.7962 14.5954 14.5954 14.6078 14.6078 15.5044 15.5044 15.5053 15.5053 k = 0.5000 0.8678 0.3352 ( 4518 PWs) bands (ev): -42.6859 -42.6859 -42.6859 -42.6859 -19.6087 -19.6087 -19.6082 -19.6082 -18.9959 -18.9959 -18.9910 -18.9910 -18.6626 -18.6626 -18.6582 -18.6582 9.9525 9.9525 9.9688 9.9688 10.3163 10.3163 10.3281 10.3281 11.0975 11.0975 11.1094 11.1094 11.3633 11.3633 11.3869 11.3869 12.6324 12.6324 12.6359 12.6359 13.2313 13.2313 13.2560 13.2560 13.7491 13.7491 13.7771 13.7771 14.5640 14.5640 14.5768 14.5768 15.4822 15.4822 15.4831 15.4831 k = 0.5000 0.8660 0.3206 ( 4520 PWs) bands (ev): -42.6859 -42.6859 -42.6858 -42.6858 -19.6089 -19.6089 -19.6086 -19.6086 -18.9959 -18.9959 -18.9913 -18.9913 -18.6626 -18.6626 -18.6583 -18.6583 9.9675 9.9675 9.9840 9.9840 10.3274 10.3274 10.3393 10.3393 11.1078 11.1078 11.1204 11.1204 11.3698 11.3698 11.3947 11.3947 12.6206 12.6206 12.6239 12.6239 13.2037 13.2037 13.2280 13.2280 13.7291 13.7291 13.7567 13.7567 14.5287 14.5287 14.5417 14.5417 15.4597 15.4597 15.4606 15.4606 k = 0.5000 0.8641 0.3060 ( 4526 PWs) bands (ev): -42.6858 -42.6858 -42.6858 -42.6858 -19.6092 -19.6092 -19.6089 -19.6089 -18.9960 -18.9960 -18.9916 -18.9916 -18.6626 -18.6626 -18.6584 -18.6584 9.9838 9.9838 10.0004 10.0004 10.3398 10.3398 10.3516 10.3516 11.1189 11.1189 11.1320 11.1320 11.3773 11.3773 11.4034 11.4034 12.6069 12.6069 12.6098 12.6098 13.1747 13.1747 13.1983 13.1983 13.7078 13.7078 13.7348 13.7348 14.4900 14.4900 14.5034 14.5034 15.4370 15.4370 15.4379 15.4379 k = 0.5000 0.8623 0.2914 ( 4534 PWs) bands (ev): -42.6858 -42.6858 -42.6857 -42.6857 -19.6095 -19.6095 -19.6093 -19.6093 -18.9960 -18.9960 -18.9918 -18.9918 -18.6625 -18.6625 -18.6585 -18.6585 10.0013 10.0013 10.0180 10.0180 10.3534 10.3534 10.3651 10.3651 11.1306 11.1306 11.1442 11.1442 11.3857 11.3857 11.4129 11.4129 12.5909 12.5909 12.5935 12.5935 13.1446 13.1446 13.1674 13.1674 13.6852 13.6852 13.7115 13.7115 14.4487 14.4487 14.4623 14.4623 15.4144 15.4144 15.4152 15.4152 k = 0.5000 0.8604 0.2768 ( 4530 PWs) bands (ev): -42.6857 -42.6857 -42.6857 -42.6857 -19.6097 -19.6097 -19.6096 -19.6096 -18.9961 -18.9961 -18.9921 -18.9921 -18.6625 -18.6625 -18.6585 -18.6585 10.0199 10.0199 10.0367 10.0367 10.3682 10.3682 10.3797 10.3797 11.1429 11.1429 11.1569 11.1569 11.3949 11.3949 11.4232 11.4232 12.5726 12.5726 12.5747 12.5747 13.1141 13.1141 13.1359 13.1359 13.6612 13.6612 13.6867 13.6867 14.4052 14.4052 14.4191 14.4191 15.3921 15.3921 15.3928 15.3928 k = 0.5000 0.8586 0.2623 ( 4528 PWs) bands (ev): -42.6857 -42.6857 -42.6856 -42.6856 -19.6100 -19.6100 -19.6100 -19.6100 -18.9961 -18.9961 -18.9923 -18.9923 -18.6625 -18.6625 -18.6586 -18.6586 10.0395 10.0395 10.0564 10.0564 10.3842 10.3842 10.3956 10.3956 11.1558 11.1558 11.1701 11.1701 11.4049 11.4049 11.4342 11.4342 12.5517 12.5517 12.5531 12.5531 13.0839 13.0839 13.1046 13.1046 13.6359 13.6359 13.6606 13.6606 14.3599 14.3599 14.3741 14.3741 15.3701 15.3701 15.3708 15.3708 k = 0.5000 0.8568 0.2477 ( 4522 PWs) bands (ev): -42.6856 -42.6856 -42.6856 -42.6856 -19.6103 -19.6103 -19.6103 -19.6103 -18.9962 -18.9962 -18.9926 -18.9926 -18.6625 -18.6625 -18.6587 -18.6587 10.0601 10.0601 10.0770 10.0770 10.4015 10.4015 10.4125 10.4125 11.1693 11.1693 11.1837 11.1837 11.4157 11.4157 11.4459 11.4459 12.5280 12.5280 12.5288 12.5288 13.0544 13.0544 13.0740 13.0740 13.6093 13.6093 13.6331 13.6331 14.3133 14.3133 14.3277 14.3277 15.3488 15.3488 15.3494 15.3494 k = 0.5000 0.8549 0.2331 ( 4522 PWs) bands (ev): -42.6856 -42.6856 -42.6856 -42.6856 -19.6107 -19.6107 -19.6105 -19.6105 -18.9962 -18.9962 -18.9928 -18.9928 -18.6624 -18.6624 -18.6588 -18.6588 10.0816 10.0816 10.0984 10.0984 10.4199 10.4199 10.4306 10.4306 11.1833 11.1833 11.1976 11.1976 11.4272 11.4272 11.4581 11.4581 12.5016 12.5016 12.5016 12.5016 13.0261 13.0261 13.0446 13.0446 13.5814 13.5814 13.6044 13.6044 14.2655 14.2655 14.2801 14.2801 15.3281 15.3281 15.3287 15.3287 k = 0.5000 0.8531 0.2185 ( 4518 PWs) bands (ev): -42.6855 -42.6855 -42.6855 -42.6855 -19.6110 -19.6110 -19.6108 -19.6108 -18.9963 -18.9963 -18.9930 -18.9930 -18.6624 -18.6624 -18.6589 -18.6589 10.1040 10.1040 10.1206 10.1206 10.4394 10.4394 10.4497 10.4497 11.1978 11.1978 11.2118 11.2118 11.4393 11.4393 11.4707 11.4707 12.4716 12.4716 12.4724 12.4724 12.9995 12.9995 13.0168 13.0168 13.5523 13.5523 13.5745 13.5745 14.2167 14.2167 14.2316 14.2316 15.3083 15.3083 15.3088 15.3088 k = 0.5000 0.8512 0.2039 ( 4520 PWs) bands (ev): -42.6855 -42.6855 -42.6855 -42.6855 -19.6113 -19.6113 -19.6111 -19.6111 -18.9963 -18.9963 -18.9933 -18.9933 -18.6624 -18.6624 -18.6590 -18.6590 10.1270 10.1270 10.1435 10.1435 10.4600 10.4600 10.4698 10.4698 11.2128 11.2128 11.2262 11.2262 11.4520 11.4520 11.4837 11.4837 12.4390 12.4390 12.4406 12.4406 12.9746 12.9746 12.9909 12.9909 13.5222 13.5222 13.5437 13.5437 14.1673 14.1673 14.1823 14.1823 15.2894 15.2894 15.2898 15.2898 k = 0.5000 0.8494 0.1893 ( 4514 PWs) bands (ev): -42.6855 -42.6855 -42.6854 -42.6854 -19.6116 -19.6116 -19.6113 -19.6113 -18.9964 -18.9964 -18.9935 -18.9935 -18.6623 -18.6623 -18.6591 -18.6591 10.1507 10.1507 10.1670 10.1670 10.4816 10.4816 10.4908 10.4908 11.2281 11.2281 11.2408 11.2408 11.4651 11.4651 11.4968 11.4968 12.4040 12.4040 12.4063 12.4063 12.9518 12.9518 12.9672 12.9672 13.4912 13.4912 13.5121 13.5121 14.1173 14.1173 14.1324 14.1324 15.2715 15.2715 15.2719 15.2719 k = 0.5000 0.8475 0.1747 ( 4512 PWs) bands (ev): -42.6854 -42.6854 -42.6854 -42.6854 -19.6119 -19.6119 -19.6116 -19.6116 -18.9964 -18.9964 -18.9937 -18.9937 -18.6623 -18.6623 -18.6592 -18.6592 10.1749 10.1749 10.1909 10.1909 10.5041 10.5041 10.5127 10.5127 11.2437 11.2437 11.2554 11.2554 11.4785 11.4785 11.5100 11.5100 12.3671 12.3671 12.3701 12.3701 12.9310 12.9310 12.9455 12.9455 13.4595 13.4595 13.4798 13.4798 14.0670 14.0670 14.0822 14.0822 15.2547 15.2547 15.2550 15.2550 k = 0.5000 0.8457 0.1601 ( 4514 PWs) bands (ev): -42.6854 -42.6854 -42.6854 -42.6854 -19.6122 -19.6122 -19.6119 -19.6119 -18.9964 -18.9964 -18.9939 -18.9939 -18.6623 -18.6623 -18.6593 -18.6593 10.1995 10.1995 10.2151 10.2151 10.5274 10.5274 10.5352 10.5352 11.2597 11.2597 11.2699 11.2699 11.4921 11.4921 11.5229 11.5229 12.3288 12.3288 12.3323 12.3323 12.9121 12.9121 12.9261 12.9261 13.4272 13.4272 13.4471 13.4471 14.0164 14.0164 14.0318 14.0318 15.2389 15.2389 15.2391 15.2391 k = 0.5000 0.8438 0.1455 ( 4514 PWs) bands (ev): -42.6853 -42.6853 -42.6853 -42.6853 -19.6125 -19.6125 -19.6121 -19.6121 -18.9965 -18.9965 -18.9941 -18.9941 -18.6622 -18.6622 -18.6594 -18.6594 10.2245 10.2245 10.2397 10.2397 10.5514 10.5514 10.5584 10.5584 11.2758 11.2758 11.2843 11.2843 11.5057 11.5057 11.5354 11.5354 12.2895 12.2895 12.2934 12.2934 12.8951 12.8951 12.9087 12.9087 13.3946 13.3946 13.4142 13.4142 13.9659 13.9659 13.9813 13.9813 15.2243 15.2243 15.2244 15.2244 k = 0.5000 0.8420 0.1309 ( 4514 PWs) bands (ev): -42.6853 -42.6853 -42.6853 -42.6853 -19.6128 -19.6128 -19.6124 -19.6124 -18.9965 -18.9965 -18.9943 -18.9943 -18.6622 -18.6622 -18.6595 -18.6595 10.2498 10.2498 10.2644 10.2644 10.5759 10.5759 10.5820 10.5820 11.2922 11.2922 11.2985 11.2985 11.5193 11.5193 11.5473 11.5473 12.2500 12.2500 12.2540 12.2540 12.8798 12.8798 12.8933 12.8933 13.3617 13.3617 13.3812 13.3812 13.9157 13.9157 13.9311 13.9311 15.2107 15.2107 15.2108 15.2108 k = 0.5000 0.8402 0.1163 ( 4516 PWs) bands (ev): -42.6853 -42.6853 -42.6853 -42.6853 -19.6130 -19.6130 -19.6126 -19.6126 -18.9966 -18.9966 -18.9945 -18.9945 -18.6621 -18.6621 -18.6596 -18.6596 10.2751 10.2751 10.2892 10.2892 10.6008 10.6008 10.6059 10.6059 11.3085 11.3085 11.3121 11.3121 11.5326 11.5326 11.5582 11.5582 12.2107 12.2107 12.2145 12.2145 12.8662 12.8662 12.8798 12.8798 13.3289 13.3289 13.3483 13.3483 13.8659 13.8659 13.8813 13.8813 15.1982 15.1982 15.1982 15.1982 k = 0.5000 0.8383 0.1017 ( 4516 PWs) bands (ev): -42.6853 -42.6853 -42.6852 -42.6852 -19.6133 -19.6133 -19.6129 -19.6129 -18.9966 -18.9966 -18.9947 -18.9947 -18.6621 -18.6621 -18.6597 -18.6597 10.3005 10.3005 10.3139 10.3139 10.6259 10.6259 10.6299 10.6299 11.3248 11.3248 11.3251 11.3251 11.5456 11.5456 11.5679 11.5679 12.1723 12.1723 12.1756 12.1756 12.8543 12.8543 12.8681 12.8681 13.2962 13.2962 13.3158 13.3158 13.8169 13.8169 13.8323 13.8323 15.1867 15.1867 15.1867 15.1867 k = 0.5000 0.8365 0.0871 ( 4512 PWs) bands (ev): -42.6852 -42.6852 -42.6852 -42.6852 -19.6135 -19.6135 -19.6131 -19.6131 -18.9966 -18.9966 -18.9949 -18.9949 -18.6620 -18.6620 -18.6598 -18.6598 10.3257 10.3257 10.3384 10.3384 10.6510 10.6510 10.6539 10.6539 11.3372 11.3372 11.3408 11.3408 11.5583 11.5583 11.5763 11.5763 12.1354 12.1354 12.1378 12.1378 12.8439 12.8439 12.8583 12.8583 13.2640 13.2640 13.2839 13.2839 13.7689 13.7689 13.7842 13.7842 15.1763 15.1763 15.1763 15.1763 k = 0.5000 0.8346 0.0725 ( 4514 PWs) bands (ev): -42.6852 -42.6852 -42.6852 -42.6852 -19.6137 -19.6137 -19.6133 -19.6133 -18.9966 -18.9966 -18.9950 -18.9950 -18.6620 -18.6620 -18.6599 -18.6599 10.3506 10.3506 10.3625 10.3625 10.6759 10.6759 10.6776 10.6776 11.3482 11.3482 11.3562 11.3562 11.5704 11.5704 11.5832 11.5832 12.1004 12.1004 12.1014 12.1014 12.8351 12.8351 12.8502 12.8502 13.2323 13.2323 13.2527 13.2527 13.7222 13.7222 13.7374 13.7374 15.1668 15.1668 15.1668 15.1668 k = 0.5000 0.8328 0.0579 ( 4516 PWs) bands (ev): -42.6852 -42.6852 -42.6852 -42.6852 -19.6139 -19.6139 -19.6135 -19.6135 -18.9966 -18.9966 -18.9952 -18.9952 -18.6619 -18.6619 -18.6601 -18.6601 10.3750 10.3750 10.3861 10.3861 10.7004 10.7004 10.7009 10.7009 11.3576 11.3576 11.3705 11.3705 11.5822 11.5822 11.5886 11.5886 12.0670 12.0670 12.0678 12.0678 12.8280 12.8280 12.8440 12.8440 13.2013 13.2013 13.2223 13.2223 13.6772 13.6772 13.6921 13.6921 15.1583 15.1583 15.1583 15.1583 k = 0.5000 0.8309 0.0433 ( 4520 PWs) bands (ev): -42.6852 -42.6852 -42.6851 -42.6851 -19.6141 -19.6141 -19.6137 -19.6137 -18.9967 -18.9967 -18.9953 -18.9953 -18.6619 -18.6619 -18.6602 -18.6602 10.3987 10.3987 10.4089 10.4089 10.7235 10.7235 10.7242 10.7242 11.3652 11.3652 11.3834 11.3834 11.5929 11.5929 11.5938 11.5938 12.0348 12.0348 12.0380 12.0380 12.8226 12.8226 12.8396 12.8396 13.1712 13.1712 13.1930 13.1930 13.6342 13.6342 13.6489 13.6489 15.1506 15.1506 15.1507 15.1507 k = 0.5000 0.8291 0.0287 ( 4526 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6143 -19.6143 -19.6139 -19.6139 -18.9967 -18.9967 -18.9955 -18.9955 -18.6618 -18.6618 -18.6603 -18.6603 10.4215 10.4215 10.4308 10.4308 10.7452 10.7452 10.7471 10.7471 11.3708 11.3708 11.3940 11.3940 11.5966 11.5966 11.6053 11.6053 12.0050 12.0050 12.0110 12.0110 12.8190 12.8190 12.8371 12.8371 13.1421 13.1421 13.1647 13.1647 13.5937 13.5937 13.6079 13.6079 15.1438 15.1438 15.1439 15.1439 k = 0.5000 0.8273 0.0141 ( 4526 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6144 -19.6144 -19.6141 -19.6141 -18.9967 -18.9967 -18.9956 -18.9956 -18.6618 -18.6618 -18.6604 -18.6604 10.4431 10.4431 10.4515 10.4515 10.7659 10.7659 10.7688 10.7688 11.3741 11.3741 11.4016 11.4016 11.6006 11.6006 11.6168 11.6168 11.9778 11.9778 11.9868 11.9868 12.8174 12.8174 12.8365 12.8365 13.1142 13.1142 13.1375 13.1375 13.5560 13.5560 13.5696 13.5696 15.1379 15.1379 15.1379 15.1379 k = 0.5000 0.8254-0.0005 ( 4522 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6145 -19.6145 -19.6142 -19.6142 -18.9967 -18.9967 -18.9958 -18.9958 -18.6617 -18.6617 -18.6605 -18.6605 10.4633 10.4633 10.4707 10.4707 10.7853 10.7853 10.7890 10.7890 11.3753 11.3753 11.4057 11.4057 11.6058 11.6058 11.6284 11.6284 11.9533 11.9533 11.9652 11.9652 12.8178 12.8178 12.8378 12.8378 13.0876 13.0876 13.1115 13.1115 13.5216 13.5216 13.5344 13.5344 15.1328 15.1328 15.1328 15.1328 k = 0.5000 0.8236-0.0151 ( 4522 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6146 -19.6146 -19.6144 -19.6144 -18.9966 -18.9966 -18.9959 -18.9959 -18.6616 -18.6616 -18.6606 -18.6606 10.4818 10.4818 10.4881 10.4881 10.8031 10.8031 10.8074 10.8074 11.3747 11.3747 11.4059 11.4059 11.6129 11.6129 11.6399 11.6399 11.9315 11.9315 11.9459 11.9459 12.8202 12.8202 12.8409 12.8409 13.0625 13.0625 13.0867 13.0867 13.4909 13.4909 13.5027 13.5027 15.1284 15.1284 15.1284 15.1284 k = 0.5000 0.8217-0.0297 ( 4522 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6147 -19.6147 -19.6145 -19.6145 -18.9966 -18.9966 -18.9960 -18.9960 -18.6616 -18.6616 -18.6607 -18.6607 10.4982 10.4982 10.5034 10.5034 10.8191 10.8191 10.8237 10.8237 11.3728 11.3728 11.4026 11.4026 11.6220 11.6220 11.6511 11.6511 11.9125 11.9125 11.9286 11.9286 12.8247 12.8247 12.8456 12.8456 13.0392 13.0392 13.0633 13.0633 13.4644 13.4644 13.4748 13.4748 15.1247 15.1247 15.1247 15.1247 k = 0.5000 0.8199-0.0443 ( 4518 PWs) bands (ev): -42.6851 -42.6851 -42.6851 -42.6851 -19.6148 -19.6148 -19.6146 -19.6146 -18.9966 -18.9966 -18.9961 -18.9961 -18.6615 -18.6615 -18.6608 -18.6608 10.5122 10.5122 10.5164 10.5164 10.8330 10.8330 10.8375 10.8375 11.3704 11.3704 11.3967 11.3967 11.6329 11.6329 11.6612 11.6612 11.8965 11.8965 11.9130 11.9130 12.8310 12.8310 12.8515 12.8515 13.0183 13.0183 13.0414 13.0414 13.4424 13.4424 13.4512 13.4512 15.1217 15.1217 15.1218 15.1218 k = 0.5000 0.8180-0.0589 ( 4518 PWs) bands (ev): -42.6851 -42.6851 -42.6850 -42.6850 -19.6148 -19.6148 -19.6147 -19.6147 -18.9966 -18.9966 -18.9962 -18.9962 -18.6614 -18.6614 -18.6609 -18.6609 10.5236 10.5236 10.5268 10.5268 10.8446 10.8446 10.8484 10.8484 11.3684 11.3684 11.3895 11.3895 11.6445 11.6445 11.6693 11.6693 11.8840 11.8840 11.8993 11.8993 12.8388 12.8388 12.8575 12.8575 13.0006 13.0006 13.0214 13.0214 13.4252 13.4252 13.4322 13.4322 15.1194 15.1194 15.1195 15.1195 k = 0.5000 0.8162-0.0735 ( 4522 PWs) bands (ev): -42.6850 -42.6850 -42.6850 -42.6850 -19.6148 -19.6148 -19.6148 -19.6148 -18.9965 -18.9965 -18.9963 -18.9963 -18.6613 -18.6613 -18.6610 -18.6610 10.5321 10.5321 10.5342 10.5342 10.8534 10.8534 10.8562 10.8562 11.3674 11.3674 11.3822 11.3822 11.6558 11.6558 11.6744 11.6744 11.8756 11.8756 11.8875 11.8875 12.8474 12.8474 12.8624 12.8624 12.9876 12.9876 13.0040 13.0040 13.4132 13.4132 13.4180 13.4180 15.1178 15.1178 15.1178 15.1178 k = 0.5000 0.8143-0.0880 ( 4520 PWs) bands (ev): -42.6850 -42.6850 -42.6850 -42.6850 -19.6149 -19.6149 -19.6148 -19.6148 -18.9965 -18.9965 -18.9963 -18.9963 -18.6612 -18.6612 -18.6611 -18.6611 10.5375 10.5375 10.5385 10.5385 10.8591 10.8591 10.8607 10.8607 11.3682 11.3682 11.3758 11.3758 11.6656 11.6656 11.6756 11.6756 11.8719 11.8719 11.8785 11.8785 12.8556 12.8556 12.8642 12.8642 12.9810 12.9810 12.9904 12.9904 13.4064 13.4064 13.4089 13.4089 15.1169 15.1169 15.1169 15.1169 k = 0.5000 0.8125-0.1026 ( 4516 PWs) bands (ev): -42.6850 -42.6850 -42.6850 -42.6850 -19.6148 -19.6148 -19.6148 -19.6148 -18.9964 -18.9964 -18.9964 -18.9964 -18.6611 -18.6611 -18.6611 -18.6611 10.5397 10.5397 10.5397 10.5397 10.8616 10.8616 10.8616 10.8616 11.3710 11.3710 11.3710 11.3710 11.6725 11.6725 11.6725 11.6725 11.8730 11.8730 11.8730 11.8730 12.8618 12.8618 12.8618 12.8618 12.9821 12.9821 12.9821 12.9821 13.4050 13.4050 13.4050 13.4050 15.1165 15.1165 15.1165 15.1165 k = 0.5000 0.8125-0.1026 ( 4516 PWs) bands (ev): -42.6850 -42.6850 -42.6850 -42.6850 -19.6148 -19.6148 -19.6148 -19.6148 -18.9964 -18.9964 -18.9964 -18.9964 -18.6611 -18.6611 -18.6611 -18.6611 10.5397 10.5397 10.5397 10.5397 10.8616 10.8616 10.8616 10.8616 11.3710 11.3710 11.3710 11.3710 11.6725 11.6725 11.6725 11.6725 11.8730 11.8730 11.8730 11.8730 12.8618 12.8618 12.8618 12.8618 12.9821 12.9821 12.9821 12.9821 13.4050 13.4050 13.4050 13.4050 15.1165 15.1165 15.1165 15.1165 k = 0.4853 0.8125-0.1026 ( 4516 PWs) bands (ev): -42.6861 -42.6861 -42.6840 -42.6840 -19.6161 -19.6161 -19.6133 -19.6133 -18.9978 -18.9978 -18.9949 -18.9949 -18.6644 -18.6644 -18.6584 -18.6584 10.5354 10.5354 10.5428 10.5428 10.8419 10.8419 10.8837 10.8837 11.3599 11.3599 11.3819 11.3819 11.6659 11.6659 11.6776 11.6776 11.8487 11.8487 11.8972 11.8972 12.8543 12.8543 12.8696 12.8696 12.9733 12.9733 12.9913 12.9913 13.3783 13.3783 13.4349 13.4349 15.1008 15.1008 15.1300 15.1300 k = 0.4706 0.8125-0.1026 ( 4516 PWs) bands (ev): -42.6871 -42.6871 -42.6830 -42.6830 -19.6171 -19.6171 -19.6114 -19.6114 -18.9990 -18.9990 -18.9933 -18.9933 -18.6680 -18.6680 -18.6561 -18.6561 10.5305 10.5305 10.5444 10.5444 10.8249 10.8249 10.9076 10.9076 11.3487 11.3487 11.3927 11.3927 11.6582 11.6582 11.6807 11.6807 11.8252 11.8252 11.9205 11.9205 12.8468 12.8468 12.8779 12.8779 12.9651 12.9651 13.0008 13.0008 13.3551 13.3551 13.4675 13.4675 15.0829 15.0829 15.1411 15.1411 k = 0.4559 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.6882 -42.6882 -42.6819 -42.6819 -19.6178 -19.6178 -19.6093 -19.6093 -19.0001 -19.0001 -18.9916 -18.9916 -18.6721 -18.6721 -18.6542 -18.6542 10.5252 10.5252 10.5438 10.5438 10.8113 10.8113 10.9330 10.9330 11.3376 11.3376 11.4031 11.4031 11.6495 11.6495 11.6811 11.6811 11.8034 11.8034 11.9424 11.9424 12.8391 12.8391 12.8869 12.8869 12.9580 12.9580 13.0102 13.0102 13.3358 13.3358 13.5025 13.5025 15.0629 15.0629 15.1498 15.1498 k = 0.4412 0.8125-0.1026 ( 4516 PWs) bands (ev): -42.6892 -42.6892 -42.6809 -42.6809 -19.6182 -19.6182 -19.6069 -19.6069 -19.0010 -19.0010 -18.9898 -18.9898 -18.6766 -18.6766 -18.6528 -18.6528 10.5199 10.5199 10.5407 10.5407 10.8015 10.8015 10.9595 10.9595 11.3266 11.3266 11.4129 11.4129 11.6400 11.6400 11.6780 11.6780 11.7848 11.7848 11.9623 11.9623 12.8311 12.8311 12.8968 12.8968 12.9523 12.9523 13.0197 13.0197 13.3206 13.3206 13.5394 13.5394 15.0409 15.0409 15.1560 15.1560 k = 0.4265 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6902 -42.6902 -42.6799 -42.6799 -19.6183 -19.6183 -19.6043 -19.6043 -19.0019 -19.0019 -18.9878 -18.9878 -18.6815 -18.6815 -18.6519 -18.6519 10.5146 10.5146 10.5348 10.5348 10.7957 10.7957 10.9869 10.9869 11.3157 11.3157 11.4220 11.4220 11.6295 11.6295 11.6707 11.6707 11.7704 11.7704 11.9797 11.9797 12.8230 12.8230 12.9074 12.9074 12.9485 12.9485 13.0292 13.0292 13.3096 13.3096 13.5779 13.5779 15.0169 15.0169 15.1597 15.1597 k = 0.4118 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6912 -42.6912 -42.6789 -42.6789 -19.6181 -19.6181 -19.6015 -19.6015 -19.0026 -19.0026 -18.9857 -18.9857 -18.6868 -18.6868 -18.6514 -18.6514 10.5095 10.5095 10.5263 10.5263 10.7940 10.7940 11.0149 11.0149 11.3050 11.3050 11.4301 11.4301 11.6178 11.6178 11.6600 11.6600 11.7603 11.7603 11.9940 11.9940 12.8151 12.8151 12.9180 12.9180 12.9475 12.9475 13.0386 13.0386 13.3027 13.3027 13.6175 13.6175 14.9911 14.9911 15.1608 15.1608 k = 0.3971 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6922 -42.6922 -42.6779 -42.6779 -19.6177 -19.6177 -19.5985 -19.5985 -19.0031 -19.0031 -18.9836 -18.9836 -18.6925 -18.6925 -18.6513 -18.6513 10.5042 10.5042 10.5160 10.5160 10.7959 10.7959 11.0434 11.0434 11.2945 11.2945 11.4367 11.4367 11.6046 11.6046 11.6477 11.6477 11.7536 11.7536 12.0046 12.0046 12.8080 12.8080 12.9267 12.9267 12.9516 12.9516 13.0481 13.0481 13.2998 13.2998 13.6580 13.6580 14.9636 14.9636 15.1591 15.1591 k = 0.3824 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6932 -42.6932 -42.6769 -42.6769 -19.6169 -19.6169 -19.5953 -19.5953 -19.0035 -19.0035 -18.9813 -18.9813 -18.6985 -18.6985 -18.6517 -18.6517 10.4961 10.4961 10.5068 10.5068 10.8010 10.8010 11.0721 11.0721 11.2844 11.2844 11.4414 11.4414 11.5897 11.5897 11.6363 11.6363 11.7487 11.7487 12.0113 12.0113 12.8022 12.8022 12.9316 12.9316 12.9624 12.9624 13.0578 13.0578 13.3008 13.3008 13.6990 13.6990 14.9344 14.9344 15.1547 15.1547 k = 0.3676 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.6942 -42.6942 -42.6760 -42.6760 -19.6158 -19.6158 -19.5919 -19.5919 -19.0037 -19.0037 -18.9789 -18.9789 -18.7049 -18.7049 -18.6526 -18.6526 10.4830 10.4830 10.5018 10.5018 10.8087 10.8087 11.1007 11.1007 11.2747 11.2747 11.4434 11.4434 11.5737 11.5737 11.6272 11.6272 11.7447 11.7447 12.0138 12.0138 12.7984 12.7984 12.9345 12.9345 12.9781 12.9781 13.0676 13.0676 13.3053 13.3053 13.7405 13.7405 14.9038 14.9038 15.1475 15.1475 k = 0.3529 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.6951 -42.6951 -42.6750 -42.6750 -19.6145 -19.6145 -19.5884 -19.5884 -19.0037 -19.0037 -18.9764 -18.9764 -18.7116 -18.7116 -18.6538 -18.6538 10.4673 10.4673 10.4989 10.4989 10.8186 10.8186 11.1290 11.1290 11.2656 11.2656 11.4420 11.4420 11.5578 11.5578 11.6206 11.6206 11.7407 11.7407 12.0119 12.0119 12.7969 12.7969 12.9372 12.9372 12.9965 12.9965 13.0778 13.0778 13.3131 13.3131 13.7820 13.7820 14.8720 14.8720 15.1373 15.1373 k = 0.3382 0.8125-0.1026 ( 4512 PWs) bands (ev): -42.6960 -42.6960 -42.6741 -42.6741 -19.6130 -19.6130 -19.5847 -19.5847 -19.0036 -19.0036 -18.9738 -18.9738 -18.7185 -18.7185 -18.6554 -18.6554 10.4505 10.4505 10.4972 10.4972 10.8301 10.8301 11.1565 11.1565 11.2574 11.2574 11.4368 11.4368 11.5431 11.5431 11.6168 11.6168 11.7364 11.7364 12.0057 12.0057 12.7980 12.7980 12.9406 12.9406 13.0168 13.0168 13.0887 13.0887 13.3240 13.3240 13.8235 13.8235 14.8390 14.8390 15.1243 15.1243 k = 0.3235 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6969 -42.6969 -42.6732 -42.6732 -19.6111 -19.6111 -19.5810 -19.5810 -19.0033 -19.0033 -18.9712 -18.9712 -18.7258 -18.7258 -18.6575 -18.6575 10.4332 10.4332 10.4964 10.4964 10.8430 10.8430 11.1821 11.1821 11.2510 11.2510 11.4277 11.4277 11.5300 11.5300 11.6155 11.6155 11.7314 11.7314 11.9955 11.9955 12.8016 12.8016 12.9447 12.9447 13.0382 13.0382 13.1006 13.1006 13.3377 13.3377 13.8648 13.8648 14.8052 14.8052 15.1084 15.1084 k = 0.3088 0.8125-0.1026 ( 4512 PWs) bands (ev): -42.6978 -42.6978 -42.6723 -42.6723 -19.6091 -19.6091 -19.5772 -19.5772 -19.0028 -19.0028 -18.9684 -18.9684 -18.7333 -18.7333 -18.6599 -18.6599 10.4157 10.4157 10.4965 10.4965 10.8567 10.8567 11.2027 11.2027 11.2492 11.2492 11.4155 11.4155 11.5185 11.5185 11.6163 11.6163 11.7258 11.7258 11.9819 11.9819 12.8075 12.8075 12.9499 12.9499 13.0596 13.0596 13.1146 13.1146 13.3538 13.3538 13.9056 13.9056 14.7707 14.7707 15.0896 15.0896 k = 0.2941 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.6986 -42.6986 -42.6715 -42.6715 -19.6069 -19.6069 -19.5734 -19.5734 -19.0021 -19.0021 -18.9655 -18.9655 -18.7409 -18.7409 -18.6626 -18.6626 10.3983 10.3983 10.4975 10.4975 10.8712 10.8712 11.2120 11.2120 11.2582 11.2582 11.4014 11.4014 11.5081 11.5081 11.6189 11.6189 11.7195 11.7195 11.9652 11.9652 12.8153 12.8153 12.9561 12.9561 13.0793 13.0793 13.1322 13.1322 13.3721 13.3721 13.9458 13.9458 14.7359 14.7359 15.0680 15.0680 k = 0.2794 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.6995 -42.6995 -42.6707 -42.6707 -19.6044 -19.6044 -19.5695 -19.5695 -19.0013 -19.0013 -18.9626 -18.9626 -18.7488 -18.7488 -18.6656 -18.6656 10.3811 10.3811 10.4992 10.4992 10.8860 10.8860 11.2109 11.2109 11.2762 11.2762 11.3869 11.3869 11.4984 11.4984 11.6227 11.6227 11.7124 11.7124 11.9463 11.9463 12.8246 12.8246 12.9636 12.9636 13.0960 13.0960 13.1546 13.1546 13.3922 13.3922 13.9853 13.9853 14.7010 14.7010 15.0438 15.0438 k = 0.2647 0.8125-0.1026 ( 4512 PWs) bands (ev): -42.7003 -42.7003 -42.6699 -42.6699 -19.6018 -19.6018 -19.5657 -19.5657 -19.0002 -19.0002 -18.9597 -18.9597 -18.7568 -18.7568 -18.6690 -18.6690 10.3642 10.3642 10.5018 10.5018 10.9011 10.9011 11.2064 11.2064 11.2949 11.2949 11.3743 11.3743 11.4891 11.4891 11.6271 11.6271 11.7047 11.7047 11.9259 11.9259 12.8349 12.8349 12.9726 12.9726 13.1097 13.1097 13.1817 13.1817 13.4139 13.4139 14.0239 14.0239 14.6664 14.6664 15.0171 15.0171 k = 0.2500 0.8125-0.1026 ( 4510 PWs) bands (ev): -42.7010 -42.7010 -42.6691 -42.6691 -19.5991 -19.5991 -19.5619 -19.5619 -18.9989 -18.9989 -18.9566 -18.9566 -18.7648 -18.7648 -18.6726 -18.6726 10.3478 10.3478 10.5052 10.5052 10.9162 10.9162 11.2012 11.2012 11.3077 11.3077 11.3676 11.3676 11.4801 11.4801 11.6316 11.6316 11.6966 11.6966 11.9045 11.9045 12.8456 12.8456 12.9831 12.9831 13.1213 13.1213 13.2124 13.2124 13.4366 13.4366 14.0614 14.0614 14.6324 14.6324 14.9881 14.9881 k = 0.2353 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.7017 -42.7017 -42.6684 -42.6684 -19.5963 -19.5963 -19.5582 -19.5582 -18.9973 -18.9973 -18.9536 -18.9536 -18.7730 -18.7730 -18.6764 -18.6764 10.3320 10.3320 10.5093 10.5093 10.9311 10.9311 11.1962 11.1962 11.3086 11.3086 11.3723 11.3723 11.4714 11.4714 11.6355 11.6355 11.6883 11.6883 11.8831 11.8831 12.8563 12.8563 12.9952 12.9952 13.1314 13.1314 13.2459 13.2459 13.4601 13.4601 14.0975 14.0975 14.5994 14.5994 14.9571 14.9571 k = 0.2206 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.7024 -42.7024 -42.6678 -42.6678 -19.5933 -19.5933 -19.5546 -19.5546 -18.9956 -18.9956 -18.9505 -18.9505 -18.7811 -18.7811 -18.6804 -18.6804 10.3169 10.3169 10.5140 10.5140 10.9456 10.9456 11.1917 11.1917 11.3002 11.3002 11.3851 11.3851 11.4633 11.4633 11.6381 11.6381 11.6804 11.6804 11.8624 11.8624 12.8667 12.8667 13.0092 13.0092 13.1407 13.1407 13.2815 13.2815 13.4839 13.4839 14.1321 14.1321 14.5680 14.5680 14.9244 14.9244 k = 0.2059 0.8125-0.1026 ( 4508 PWs) bands (ev): -42.7031 -42.7031 -42.6671 -42.6671 -19.5904 -19.5904 -19.5512 -19.5512 -18.9936 -18.9936 -18.9475 -18.9475 -18.7893 -18.7893 -18.6846 -18.6846 10.3024 10.3024 10.5194 10.5194 10.9595 10.9595 11.1880 11.1880 11.2887 11.2887 11.3992 11.3992 11.4564 11.4564 11.6382 11.6382 11.6736 11.6736 11.8429 11.8429 12.8765 12.8765 13.0249 13.0249 13.1493 13.1493 13.3188 13.3188 13.5072 13.5072 14.1648 14.1648 14.5386 14.5386 14.8904 14.8904 k = 0.1912 0.8125-0.1026 ( 4504 PWs) bands (ev): -42.7037 -42.7037 -42.6665 -42.6665 -19.5874 -19.5874 -19.5478 -19.5478 -18.9914 -18.9914 -18.9445 -18.9445 -18.7973 -18.7973 -18.6889 -18.6889 10.2887 10.2887 10.5253 10.5253 10.9726 10.9726 11.1850 11.1850 11.2767 11.2767 11.4098 11.4098 11.4528 11.4528 11.6350 11.6350 11.6688 11.6688 11.8256 11.8256 12.8855 12.8855 13.0424 13.0424 13.1573 13.1573 13.3575 13.3575 13.5296 13.5296 14.1952 14.1952 14.5118 14.5118 14.8556 14.8556 k = 0.1765 0.8125-0.1026 ( 4502 PWs) bands (ev): -42.7043 -42.7043 -42.6659 -42.6659 -19.5844 -19.5844 -19.5447 -19.5447 -18.9890 -18.9890 -18.9416 -18.9416 -18.8053 -18.8053 -18.6932 -18.6932 10.2758 10.2758 10.5317 10.5317 10.9846 10.9846 11.1830 11.1830 11.2653 11.2653 11.4130 11.4130 11.4550 11.4550 11.6287 11.6287 11.6655 11.6655 11.8109 11.8109 12.8938 12.8938 13.0613 13.0613 13.1648 13.1648 13.3972 13.3972 13.5504 13.5504 14.2229 14.2229 14.4883 14.4883 14.8206 14.8206 k = 0.1618 0.8125-0.1026 ( 4502 PWs) bands (ev): -42.7048 -42.7048 -42.6654 -42.6654 -19.5814 -19.5814 -19.5417 -19.5417 -18.9863 -18.9863 -18.9388 -18.9388 -18.8130 -18.8130 -18.6975 -18.6975 10.2638 10.2638 10.5384 10.5384 10.9954 10.9954 11.1817 11.1817 11.2551 11.2551 11.4091 11.4091 11.4622 11.4622 11.6206 11.6206 11.6629 11.6629 11.7992 11.7992 12.9012 12.9012 13.0816 13.0816 13.1718 13.1718 13.4376 13.4376 13.5688 13.5688 14.2473 14.2473 14.4686 14.4686 14.7861 14.7861 k = 0.1471 0.8125-0.1026 ( 4504 PWs) bands (ev): -42.7053 -42.7053 -42.6649 -42.6649 -19.5786 -19.5786 -19.5390 -19.5390 -18.9834 -18.9834 -18.9362 -18.9362 -18.8204 -18.8204 -18.7018 -18.7018 10.2526 10.2526 10.5453 10.5453 11.0049 11.0049 11.1812 11.1812 11.2464 11.2464 11.4018 11.4018 11.4701 11.4701 11.6119 11.6119 11.6602 11.6602 11.7906 11.7906 12.9079 12.9079 13.1030 13.1030 13.1784 13.1784 13.4784 13.4784 13.5845 13.5845 14.2676 14.2676 14.4532 14.4532 14.7531 14.7531 k = 0.1324 0.8125-0.1026 ( 4500 PWs) bands (ev): -42.7057 -42.7057 -42.6645 -42.6645 -19.5759 -19.5759 -19.5365 -19.5365 -18.9803 -18.9803 -18.9339 -18.9339 -18.8275 -18.8275 -18.7060 -18.7060 10.2425 10.2425 10.5523 10.5523 11.0129 11.0129 11.1810 11.1810 11.2396 11.2396 11.3930 11.3930 11.4768 11.4768 11.6031 11.6031 11.6575 11.6575 11.7849 11.7849 12.9139 12.9139 13.1251 13.1251 13.1845 13.1845 13.5186 13.5186 13.5973 13.5973 14.2830 14.2830 14.4426 14.4426 14.7224 14.7224 k = 0.1176 0.8125-0.1026 ( 4506 PWs) bands (ev): -42.7061 -42.7061 -42.6641 -42.6641 -19.5733 -19.5733 -19.5343 -19.5343 -18.9771 -18.9771 -18.9319 -18.9319 -18.8342 -18.8342 -18.7100 -18.7100 10.2333 10.2333 10.5592 10.5592 11.0194 11.0194 11.1807 11.1807 11.2352 11.2352 11.3837 11.3837 11.4814 11.4814 11.5945 11.5945 11.6553 11.6553 11.7814 11.7814 12.9192 12.9192 13.1475 13.1475 13.1904 13.1904 13.5560 13.5560 13.6087 13.6087 14.2925 14.2925 14.4370 14.4370 14.6954 14.6954 k = 0.1029 0.8125-0.1026 ( 4512 PWs) bands (ev): -42.7065 -42.7065 -42.6637 -42.6637 -19.5709 -19.5709 -19.5323 -19.5323 -18.9736 -18.9736 -18.9304 -18.9304 -18.8403 -18.8403 -18.7138 -18.7138 10.2250 10.2250 10.5659 10.5659 11.0246 11.0246 11.1798 11.1798 11.2333 11.2333 11.3741 11.3741 11.4841 11.4841 11.5862 11.5862 11.6539 11.6539 11.7796 11.7796 12.9238 12.9238 13.1692 13.1692 13.1966 13.1966 13.5829 13.5829 13.6260 13.6260 14.2954 14.2954 14.4361 14.4361 14.6731 14.6731 k = 0.0882 0.8125-0.1026 ( 4508 PWs) bands (ev): -42.7068 -42.7068 -42.6634 -42.6634 -19.5687 -19.5687 -19.5305 -19.5305 -18.9701 -18.9701 -18.9293 -18.9293 -18.8458 -18.8458 -18.7173 -18.7173 10.2179 10.2179 10.5722 10.5722 11.0286 11.0286 11.1782 11.1782 11.2338 11.2338 11.3648 11.3648 11.4851 11.4851 11.5783 11.5783 11.6536 11.6536 11.7789 11.7789 12.9278 12.9278 13.1870 13.1870 13.2059 13.2059 13.5915 13.5915 13.6566 13.6566 14.2914 14.2914 14.4394 14.4394 14.6561 14.6561 k = 0.0735 0.8125-0.1026 ( 4514 PWs) bands (ev): -42.7070 -42.7070 -42.6632 -42.6632 -19.5668 -19.5668 -19.5291 -19.5291 -18.9666 -18.9666 -18.9288 -18.9288 -18.8505 -18.8505 -18.7203 -18.7203 10.2118 10.2118 10.5779 10.5779 11.0315 11.0315 11.1761 11.1761 11.2361 11.2361 11.3560 11.3560 11.4851 11.4851 11.5707 11.5707 11.6542 11.6542 11.7789 11.7789 12.9311 12.9311 13.1963 13.1963 13.2222 13.2222 13.5901 13.5901 13.6920 13.6920 14.2813 14.2813 14.4458 14.4458 14.6444 14.6444 k = 0.0588 0.8125-0.1026 ( 4520 PWs) bands (ev): -42.7073 -42.7073 -42.6630 -42.6630 -19.5652 -19.5652 -19.5279 -19.5279 -18.9631 -18.9631 -18.9289 -18.9289 -18.8544 -18.8544 -18.7230 -18.7230 10.2068 10.2068 10.5829 10.5829 11.0336 11.0336 11.1738 11.1738 11.2394 11.2394 11.3480 11.3480 11.4846 11.4846 11.5639 11.5639 11.6554 11.6554 11.7793 11.7793 12.9339 12.9339 13.2009 13.2009 13.2411 13.2411 13.5846 13.5846 13.7263 13.7263 14.2667 14.2667 14.4541 14.4541 14.6373 14.6373 k = 0.0441 0.8125-0.1026 ( 4518 PWs) bands (ev): -42.7074 -42.7074 -42.6628 -42.6628 -19.5640 -19.5640 -19.5270 -19.5270 -18.9599 -18.9599 -18.9295 -18.9295 -18.8574 -18.8574 -18.7251 -18.7251 10.2028 10.2028 10.5870 10.5870 11.0351 11.0351 11.1718 11.1718 11.2430 11.2430 11.3412 11.3412 11.4839 11.4839 11.5580 11.5580 11.6568 11.6568 11.7797 11.7797 12.9360 12.9360 13.2038 13.2038 13.2584 13.2584 13.5774 13.5774 13.7569 13.7569 14.2503 14.2503 14.4629 14.4629 14.6334 14.6334 k = 0.0294 0.8125-0.1026 ( 4520 PWs) bands (ev): -42.7075 -42.7075 -42.6627 -42.6627 -19.5630 -19.5630 -19.5263 -19.5263 -18.9571 -18.9571 -18.9303 -18.9303 -18.8596 -18.8596 -18.7267 -18.7267 10.2000 10.2000 10.5900 10.5900 11.0360 11.0360 11.1702 11.1702 11.2460 11.2460 11.3361 11.3361 11.4833 11.4833 11.5535 11.5535 11.6581 11.6581 11.7801 11.7801 12.9375 12.9375 13.2057 13.2057 13.2724 13.2724 13.5704 13.5704 13.7814 13.7814 14.2351 14.2351 14.4705 14.4705 14.6317 14.6317 k = 0.0147 0.8125-0.1026 ( 4520 PWs) bands (ev): -42.7076 -42.7076 -42.6626 -42.6626 -19.5625 -19.5625 -19.5259 -19.5259 -18.9552 -18.9552 -18.9311 -18.9311 -18.8608 -18.8608 -18.7276 -18.7276 10.1983 10.1983 10.5918 10.5918 11.0365 11.0365 11.1692 11.1692 11.2481 11.2481 11.3328 11.3328 11.4829 11.4829 11.5506 11.5506 11.6590 11.6590 11.7804 11.7804 12.9384 12.9384 13.2068 13.2068 13.2816 13.2816 13.5653 13.5653 13.7974 13.7974 14.2243 14.2243 14.4757 14.4757 14.6311 14.6311 k = 0.0000 0.8125-0.1026 ( 4520 PWs) bands (ev): -42.7076 -42.7076 -42.6626 -42.6626 -19.5623 -19.5623 -19.5258 -19.5258 -18.9545 -18.9545 -18.9314 -18.9314 -18.8613 -18.8613 -18.7280 -18.7280 10.1978 10.1978 10.5924 10.5924 11.0367 11.0367 11.1688 11.1688 11.2488 11.2488 11.3317 11.3317 11.4828 11.4828 11.5496 11.5496 11.6593 11.6593 11.7805 11.7805 12.9387 12.9387 13.2072 13.2072 13.2847 13.2847 13.5634 13.5634 13.8031 13.8031 14.2204 14.2204 14.4775 14.4775 14.6309 14.6309 k = 0.0000 0.8125-0.1026 ( 4520 PWs) bands (ev): -42.7076 -42.7076 -42.6626 -42.6626 -19.5623 -19.5623 -19.5258 -19.5258 -18.9545 -18.9545 -18.9314 -18.9314 -18.8613 -18.8613 -18.7280 -18.7280 10.1978 10.1978 10.5924 10.5924 11.0367 11.0367 11.1688 11.1688 11.2488 11.2488 11.3317 11.3317 11.4828 11.4828 11.5496 11.5496 11.6593 11.6593 11.7805 11.7805 12.9387 12.9387 13.2072 13.2072 13.2847 13.2847 13.5634 13.5634 13.8031 13.8031 14.2204 14.2204 14.4775 14.4775 14.6309 14.6309 k = 0.0000 0.8143-0.0880 ( 4519 PWs) bands (ev): -42.7076 -42.7076 -42.6626 -42.6626 -19.5623 -19.5623 -19.5258 -19.5258 -18.9545 -18.9545 -18.9314 -18.9314 -18.8613 -18.8613 -18.7280 -18.7280 10.1978 10.1978 10.5929 10.5929 11.0363 11.0363 11.1677 11.1677 11.2479 11.2479 11.3314 11.3314 11.4800 11.4800 11.5514 11.5514 11.6596 11.6596 11.7807 11.7807 12.9394 12.9394 13.2021 13.2021 13.2901 13.2901 13.5644 13.5644 13.8020 13.8020 14.2211 14.2211 14.4790 14.4790 14.6336 14.6336 k = 0.0000 0.8162-0.0735 ( 4521 PWs) bands (ev): -42.7077 -42.7077 -42.6626 -42.6626 -19.5623 -19.5623 -19.5257 -19.5257 -18.9545 -18.9545 -18.9313 -18.9313 -18.8613 -18.8613 -18.7279 -18.7279 10.1979 10.1979 10.5943 10.5943 11.0350 11.0350 11.1642 11.1642 11.2449 11.2449 11.3305 11.3305 11.4724 11.4724 11.5559 11.5559 11.6606 11.6606 11.7811 11.7811 12.9413 12.9413 13.1898 13.1898 13.3032 13.3032 13.5672 13.5672 13.7987 13.7987 14.2232 14.2232 14.4833 14.4833 14.6417 14.6417 k = 0.0000 0.8180-0.0589 ( 4527 PWs) bands (ev): -42.7077 -42.7077 -42.6626 -42.6626 -19.5623 -19.5623 -19.5257 -19.5257 -18.9545 -18.9545 -18.9313 -18.9313 -18.8613 -18.8613 -18.7279 -18.7279 10.1980 10.1980 10.5965 10.5965 11.0330 11.0330 11.1586 11.1586 11.2401 11.2401 11.3289 11.3289 11.4616 11.4616 11.5614 11.5614 11.6625 11.6625 11.7819 11.7819 12.9445 12.9445 13.1743 13.1743 13.3200 13.3200 13.5720 13.5720 13.7934 13.7934 14.2266 14.2266 14.4906 14.4906 14.6550 14.6550 k = 0.0000 0.8199-0.0443 ( 4521 PWs) bands (ev): -42.7077 -42.7077 -42.6626 -42.6626 -19.5623 -19.5623 -19.5256 -19.5256 -18.9545 -18.9545 -18.9312 -18.9312 -18.8613 -18.8613 -18.7279 -18.7279 10.1983 10.1983 10.5996 10.5996 11.0301 11.0301 11.1508 11.1508 11.2335 11.2335 11.3265 11.3265 11.4488 11.4488 11.5666 11.5666 11.6653 11.6653 11.7829 11.7829 12.9487 12.9487 13.1581 13.1581 13.3384 13.3384 13.5786 13.5786 13.7861 13.7861 14.2315 14.2315 14.5008 14.5008 14.6733 14.6733 k = 0.0000 0.8217-0.0297 ( 4525 PWs) bands (ev): -42.7077 -42.7077 -42.6626 -42.6626 -19.5623 -19.5623 -19.5254 -19.5254 -18.9545 -18.9545 -18.9311 -18.9311 -18.8613 -18.8613 -18.7278 -18.7278 10.1986 10.1986 10.6035 10.6035 11.0264 11.0264 11.1412 11.1412 11.2253 11.2253 11.3232 11.3232 11.4347 11.4347 11.5708 11.5708 11.6694 11.6694 11.7840 11.7840 12.9537 12.9537 13.1421 13.1421 13.3575 13.3575 13.5869 13.5869 13.7771 13.7771 14.2376 14.2376 14.5138 14.5138 14.6965 14.6965 k = 0.0000 0.8236-0.0151 ( 4522 PWs) bands (ev): -42.7077 -42.7077 -42.6626 -42.6626 -19.5622 -19.5622 -19.5253 -19.5253 -18.9545 -18.9545 -18.9310 -18.9310 -18.8613 -18.8613 -18.7277 -18.7277 10.1990 10.1990 10.6081 10.6081 11.0220 11.0220 11.1299 11.1299 11.2156 11.2156 11.3189 11.3189 11.4197 11.4197 11.5734 11.5734 11.6748 11.6748 11.7851 11.7851 12.9591 12.9591 13.1273 13.1273 13.3766 13.3766 13.5970 13.5970 13.7666 13.7666 14.2450 14.2450 14.5298 14.5298 14.7244 14.7244 k = 0.0000 0.8254-0.0005 ( 4518 PWs) bands (ev): -42.7078 -42.7078 -42.6626 -42.6626 -19.5622 -19.5622 -19.5251 -19.5251 -18.9545 -18.9545 -18.9309 -18.9309 -18.8613 -18.8613 -18.7277 -18.7277 10.1994 10.1994 10.6134 10.6134 11.0169 11.0169 11.1170 11.1170 11.2045 11.2045 11.3134 11.3134 11.4045 11.4045 11.5743 11.5743 11.6815 11.6815 11.7863 11.7863 12.9642 12.9642 13.1145 13.1145 13.3955 13.3955 13.6087 13.6087 13.7548 13.7548 14.2535 14.2535 14.5486 14.5486 14.7565 14.7565 k = 0.0000 0.8273 0.0141 ( 4512 PWs) bands (ev): -42.7078 -42.7078 -42.6626 -42.6626 -19.5622 -19.5622 -19.5250 -19.5250 -18.9545 -18.9545 -18.9307 -18.9307 -18.8613 -18.8613 -18.7276 -18.7276 10.2000 10.2000 10.6193 10.6193 11.0111 11.0111 11.1029 11.1029 11.1923 11.1923 11.3064 11.3064 11.3893 11.3893 11.5735 11.5735 11.6894 11.6894 11.7873 11.7873 12.9681 12.9681 13.1047 13.1047 13.4140 13.4140 13.6218 13.6218 13.7420 13.7420 14.2632 14.2632 14.5703 14.5703 14.7927 14.7927 k = 0.0000 0.8291 0.0287 ( 4508 PWs) bands (ev): -42.7079 -42.7079 -42.6625 -42.6625 -19.5622 -19.5622 -19.5247 -19.5247 -18.9545 -18.9545 -18.9306 -18.9306 -18.8613 -18.8613 -18.7275 -18.7275 10.2007 10.2007 10.6256 10.6256 11.0045 11.0045 11.0877 11.0877 11.1790 11.1790 11.2978 11.2978 11.3747 11.3747 11.5712 11.5712 11.6982 11.6982 11.7883 11.7883 12.9697 12.9697 13.0990 13.0990 13.4319 13.4319 13.6360 13.6360 13.7288 13.7288 14.2739 14.2739 14.5948 14.5948 14.8327 14.8327 k = 0.0000 0.8309 0.0433 ( 4506 PWs) bands (ev): -42.7079 -42.7079 -42.6625 -42.6625 -19.5622 -19.5622 -19.5245 -19.5245 -18.9545 -18.9545 -18.9304 -18.9304 -18.8614 -18.8614 -18.7274 -18.7274 10.2014 10.2014 10.6323 10.6323 10.9974 10.9974 11.0715 11.0715 11.1649 11.1649 11.2871 11.2871 11.3610 11.3610 11.5676 11.5676 11.7078 11.7078 11.7890 11.7890 12.9682 12.9682 13.0984 13.0984 13.4489 13.4489 13.6504 13.6504 13.7160 13.7160 14.2856 14.2856 14.6223 14.6223 14.8762 14.8762 k = 0.0000 0.8328 0.0579 ( 4508 PWs) bands (ev): -42.7080 -42.7080 -42.6625 -42.6625 -19.5622 -19.5622 -19.5243 -19.5243 -18.9545 -18.9545 -18.9302 -18.9302 -18.8614 -18.8614 -18.7272 -18.7272 10.2022 10.2022 10.6393 10.6393 10.9897 10.9897 11.0546 11.0546 11.1500 11.1500 11.2745 11.2745 11.3485 11.3485 11.5629 11.5629 11.7179 11.7179 11.7894 11.7894 12.9632 12.9632 13.1029 13.1029 13.4649 13.4649 13.6623 13.6623 13.7066 13.7066 14.2982 14.2982 14.6525 14.6525 14.9230 14.9230 k = 0.0000 0.8346 0.0725 ( 4513 PWs) bands (ev): -42.7080 -42.7080 -42.6625 -42.6625 -19.5622 -19.5622 -19.5240 -19.5240 -18.9545 -18.9545 -18.9299 -18.9299 -18.8614 -18.8614 -18.7271 -18.7271 10.2031 10.2031 10.6465 10.6465 10.9813 10.9813 11.0372 11.0372 11.1346 11.1346 11.2599 11.2599 11.3373 11.3373 11.5574 11.5574 11.7283 11.7283 11.7896 11.7896 12.9554 12.9554 13.1121 13.1121 13.4797 13.4797 13.6637 13.6637 13.7087 13.7087 14.3114 14.3114 14.6857 14.6857 14.9729 14.9729 k = 0.0000 0.8365 0.0871 ( 4513 PWs) bands (ev): -42.7081 -42.7081 -42.6625 -42.6625 -19.5622 -19.5622 -19.5237 -19.5237 -18.9545 -18.9545 -18.9297 -18.9297 -18.8614 -18.8614 -18.7270 -18.7270 10.2041 10.2041 10.6537 10.6537 10.9723 10.9723 11.0195 11.0195 11.1188 11.1188 11.2439 11.2439 11.3271 11.3271 11.5512 11.5512 11.7390 11.7390 11.7896 11.7896 12.9456 12.9456 13.1248 13.1248 13.4929 13.4929 13.6542 13.6542 13.7231 13.7231 14.3254 14.3254 14.7216 14.7216 15.0256 15.0256 k = 0.0000 0.8383 0.1017 ( 4512 PWs) bands (ev): -42.7082 -42.7082 -42.6625 -42.6625 -19.5621 -19.5621 -19.5234 -19.5234 -18.9545 -18.9545 -18.9295 -18.9295 -18.8614 -18.8614 -18.7268 -18.7268 10.2051 10.2051 10.6607 10.6607 10.9624 10.9624 11.0019 11.0019 11.1027 11.1027 11.2267 11.2267 11.3176 11.3176 11.5446 11.5446 11.7498 11.7498 11.7894 11.7894 12.9347 12.9347 13.1401 13.1401 13.5040 13.5040 13.6412 13.6412 13.7426 13.7426 14.3398 14.3398 14.7602 14.7602 15.0809 15.0809 k = 0.0000 0.8402 0.1163 ( 4506 PWs) bands (ev): -42.7082 -42.7082 -42.6625 -42.6625 -19.5621 -19.5621 -19.5230 -19.5230 -18.9545 -18.9545 -18.9292 -18.9292 -18.8615 -18.8615 -18.7266 -18.7266 10.2061 10.2061 10.6676 10.6676 10.9516 10.9516 10.9848 10.9848 11.0865 11.0865 11.2089 11.2089 11.3087 11.3087 11.5377 11.5377 11.7605 11.7605 11.7890 11.7890 12.9232 12.9232 13.1572 13.1572 13.5123 13.5123 13.6284 13.6284 13.7644 13.7644 14.3547 14.3547 14.8015 14.8015 15.1388 15.1388 k = 0.0000 0.8420 0.1309 ( 4505 PWs) bands (ev): -42.7083 -42.7083 -42.6625 -42.6625 -19.5621 -19.5621 -19.5227 -19.5227 -18.9545 -18.9545 -18.9289 -18.9289 -18.8615 -18.8615 -18.7264 -18.7264 10.2070 10.2070 10.6741 10.6741 10.9394 10.9394 10.9687 10.9687 11.0703 11.0703 11.1908 11.1908 11.3002 11.3002 11.5306 11.5306 11.7709 11.7709 11.7887 11.7887 12.9116 12.9116 13.1758 13.1758 13.5168 13.5168 13.6176 13.6176 13.7876 13.7876 14.3699 14.3699 14.8454 14.8454 15.1989 15.1989 k = 0.0000 0.8438 0.1455 ( 4507 PWs) bands (ev): -42.7084 -42.7084 -42.6624 -42.6624 -19.5621 -19.5621 -19.5223 -19.5223 -18.9546 -18.9546 -18.9286 -18.9286 -18.8615 -18.8615 -18.7263 -18.7263 10.2079 10.2079 10.6802 10.6802 10.9255 10.9255 10.9542 10.9542 11.0541 11.0541 11.1726 11.1726 11.2919 11.2919 11.5236 11.5236 11.7795 11.7795 11.7901 11.7901 12.9000 12.9000 13.1951 13.1951 13.5163 13.5163 13.6105 13.6105 13.8118 13.8118 14.3852 14.3852 14.8918 14.8918 15.2612 15.2612 k = 0.0000 0.8457 0.1601 ( 4513 PWs) bands (ev): -42.7085 -42.7085 -42.6624 -42.6624 -19.5621 -19.5621 -19.5219 -19.5219 -18.9546 -18.9546 -18.9283 -18.9283 -18.8615 -18.8615 -18.7260 -18.7260 10.2086 10.2086 10.6856 10.6856 10.9100 10.9100 10.9415 10.9415 11.0382 11.0382 11.1545 11.1545 11.2837 11.2837 11.5167 11.5167 11.7824 11.7824 11.7970 11.7970 12.8886 12.8886 13.2148 13.2148 13.5105 13.5105 13.6077 13.6077 13.8368 13.8368 14.4006 14.4006 14.9405 14.9405 15.3253 15.3253 k = 0.0000 0.8475 0.1747 ( 4517 PWs) bands (ev): -42.7086 -42.7086 -42.6624 -42.6624 -19.5621 -19.5621 -19.5216 -19.5216 -18.9546 -18.9546 -18.9280 -18.9280 -18.8616 -18.8616 -18.7258 -18.7258 10.2092 10.2092 10.6901 10.6901 10.8937 10.8937 10.9300 10.9300 11.0226 11.0226 11.1368 11.1368 11.2757 11.2757 11.5100 11.5100 11.7820 11.7820 11.8071 11.8071 12.8777 12.8777 13.2343 13.2343 13.5005 13.5005 13.6084 13.6084 13.8624 13.8624 14.4159 14.4159 14.9914 14.9914 15.3888 15.3888 k = 0.0000 0.8494 0.1893 ( 4517 PWs) bands (ev): -42.7087 -42.7087 -42.6624 -42.6624 -19.5621 -19.5621 -19.5212 -19.5212 -18.9546 -18.9546 -18.9277 -18.9277 -18.8616 -18.8616 -18.7256 -18.7256 10.2095 10.2095 10.6936 10.6936 10.8773 10.8773 10.9193 10.9193 11.0074 11.0074 11.1195 11.1195 11.2679 11.2679 11.5035 11.5035 11.7807 11.7807 11.8179 11.8179 12.8671 12.8671 13.2531 13.2531 13.4883 13.4883 13.6113 13.6113 13.8885 13.8885 14.4309 14.4309 15.0444 15.0444 15.4060 15.4060 k = 0.0000 0.8512 0.2039 ( 4511 PWs) bands (ev): -42.7088 -42.7088 -42.6623 -42.6623 -19.5621 -19.5621 -19.5207 -19.5207 -18.9547 -18.9547 -18.9274 -18.9274 -18.8616 -18.8616 -18.7254 -18.7254 10.2096 10.2096 10.6957 10.6957 10.8615 10.8615 10.9091 10.9091 10.9928 10.9928 11.1028 11.1028 11.2601 11.2601 11.4974 11.4974 11.7792 11.7792 11.8288 11.8288 12.8570 12.8570 13.2702 13.2702 13.4759 13.4759 13.6153 13.6153 13.9148 13.9148 14.4455 14.4455 15.0992 15.0992 15.4109 15.4109 k = 0.0000 0.8531 0.2185 ( 4513 PWs) bands (ev): -42.7089 -42.7089 -42.6623 -42.6623 -19.5621 -19.5621 -19.5203 -19.5203 -18.9547 -18.9547 -18.9270 -18.9270 -18.8617 -18.8617 -18.7251 -18.7251 10.2093 10.2093 10.6963 10.6963 10.8470 10.8470 10.8994 10.8994 10.9787 10.9787 11.0868 11.0868 11.2525 11.2525 11.4916 11.4916 11.7776 11.7776 11.8398 11.8398 12.8475 12.8475 13.2842 13.2842 13.4653 13.4653 13.6195 13.6195 13.9413 13.9413 14.4596 14.4596 15.1556 15.1556 15.4153 15.4153 k = 0.0000 0.8549 0.2331 ( 4511 PWs) bands (ev): -42.7090 -42.7090 -42.6623 -42.6623 -19.5622 -19.5622 -19.5199 -19.5199 -18.9548 -18.9548 -18.9267 -18.9267 -18.8617 -18.8617 -18.7248 -18.7248 10.2086 10.2086 10.6948 10.6948 10.8342 10.8342 10.8900 10.8900 10.9654 10.9654 11.0715 11.0715 11.2451 11.2451 11.4862 11.4862 11.7759 11.7759 11.8508 11.8508 12.8386 12.8386 13.2936 13.2936 13.4585 13.4585 13.6237 13.6237 13.9678 13.9678 14.4731 14.4731 15.2134 15.2134 15.4193 15.4193 k = 0.0000 0.8568 0.2477 ( 4511 PWs) bands (ev): -42.7091 -42.7091 -42.6623 -42.6623 -19.5622 -19.5622 -19.5194 -19.5194 -18.9549 -18.9549 -18.9263 -18.9263 -18.8617 -18.8617 -18.7245 -18.7245 10.2074 10.2074 10.6912 10.6912 10.8235 10.8235 10.8809 10.8809 10.9528 10.9528 11.0569 11.0569 11.2379 11.2379 11.4811 11.4811 11.7743 11.7743 11.8618 11.8618 12.8303 12.8303 13.2966 13.2966 13.4573 13.4573 13.6276 13.6276 13.9942 13.9942 14.4857 14.4857 15.2723 15.2723 15.4230 15.4230 k = 0.0000 0.8586 0.2623 ( 4507 PWs) bands (ev): -42.7092 -42.7092 -42.6622 -42.6622 -19.5622 -19.5622 -19.5190 -19.5190 -18.9549 -18.9549 -18.9260 -18.9260 -18.8618 -18.8618 -18.7243 -18.7243 10.2057 10.2057 10.6852 10.6852 10.8153 10.8153 10.8722 10.8722 10.9410 10.9410 11.0432 11.0432 11.2308 11.2308 11.4764 11.4764 11.7728 11.7728 11.8727 11.8727 12.8227 12.8227 13.2926 13.2926 13.4623 13.4623 13.6312 13.6312 14.0202 14.0202 14.4973 14.4973 15.3319 15.3319 15.4265 15.4265 k = 0.0000 0.8604 0.2768 ( 4507 PWs) bands (ev): -42.7093 -42.7093 -42.6622 -42.6622 -19.5622 -19.5622 -19.5185 -19.5185 -18.9550 -18.9550 -18.9256 -18.9256 -18.8618 -18.8618 -18.7240 -18.7240 10.2033 10.2033 10.6771 10.6771 10.8094 10.8094 10.8640 10.8640 10.9302 10.9302 11.0304 11.0304 11.2240 11.2240 11.4719 11.4719 11.7713 11.7713 11.8835 11.8835 12.8159 12.8159 13.2827 13.2827 13.4724 13.4724 13.6346 13.6346 14.0459 14.0459 14.5077 14.5077 15.3915 15.3915 15.4302 15.4302 k = 0.0000 0.8623 0.2914 ( 4507 PWs) bands (ev): -42.7095 -42.7095 -42.6622 -42.6622 -19.5623 -19.5623 -19.5181 -19.5181 -18.9551 -18.9551 -18.9252 -18.9252 -18.8618 -18.8618 -18.7236 -18.7236 10.2002 10.2002 10.6673 10.6673 10.8054 10.8054 10.8564 10.8564 10.9203 10.9203 11.0184 11.0184 11.2175 11.2175 11.4677 11.4677 11.7701 11.7701 11.8942 11.8942 12.8098 12.8098 13.2687 13.2687 13.4859 13.4859 13.6378 13.6378 14.0709 14.0709 14.5169 14.5169 15.4311 15.4311 15.4536 15.4536 k = 0.0000 0.8641 0.3060 ( 4515 PWs) bands (ev): -42.7096 -42.7096 -42.6621 -42.6621 -19.5623 -19.5623 -19.5176 -19.5176 -18.9552 -18.9552 -18.9249 -18.9249 -18.8618 -18.8618 -18.7233 -18.7233 10.1964 10.1964 10.6564 10.6564 10.8028 10.8028 10.8496 10.8496 10.9114 10.9114 11.0074 11.0074 11.2112 11.2112 11.4636 11.4636 11.7690 11.7690 11.9046 11.9046 12.8045 12.8045 13.2520 13.2520 13.5010 13.5010 13.6412 13.6412 14.0953 14.0953 14.5247 14.5247 15.4350 15.4350 15.5119 15.5119 k = 0.0000 0.8660 0.3206 ( 4515 PWs) bands (ev): -42.7097 -42.7097 -42.6621 -42.6621 -19.5624 -19.5624 -19.5172 -19.5172 -18.9553 -18.9553 -18.9245 -18.9245 -18.8619 -18.8619 -18.7230 -18.7230 10.1918 10.1918 10.6450 10.6450 10.8009 10.8009 10.8438 10.8438 10.9036 10.9036 10.9974 10.9974 11.2053 11.2053 11.4596 11.4596 11.7682 11.7682 11.9147 11.9147 12.8000 12.8000 13.2337 13.2337 13.5163 13.5163 13.6451 13.6451 14.1189 14.1189 14.5310 14.5310 15.4381 15.4381 15.5698 15.5698 k = 0.0000 0.8678 0.3352 ( 4513 PWs) bands (ev): -42.7098 -42.7098 -42.6620 -42.6620 -19.5624 -19.5624 -19.5167 -19.5167 -18.9554 -18.9554 -18.9241 -18.9241 -18.8619 -18.8619 -18.7226 -18.7226 10.1863 10.1863 10.6335 10.6335 10.7991 10.7991 10.8394 10.8394 10.8967 10.8967 10.9884 10.9884 11.1996 11.1996 11.4557 11.4557 11.7676 11.7676 11.9245 11.9245 12.7965 12.7965 13.2146 13.2146 13.5307 13.5307 13.6498 13.6498 14.1416 14.1416 14.5355 14.5355 15.4412 15.4412 15.6256 15.6256 k = 0.0000 0.8697 0.3498 ( 4515 PWs) bands (ev): -42.7100 -42.7100 -42.6620 -42.6620 -19.5625 -19.5625 -19.5162 -19.5162 -18.9556 -18.9556 -18.9238 -18.9238 -18.8619 -18.8619 -18.7223 -18.7223 10.1798 10.1798 10.6224 10.6224 10.7969 10.7969 10.8366 10.8366 10.8910 10.8910 10.9806 10.9806 11.1943 11.1943 11.4518 11.4518 11.7673 11.7673 11.9339 11.9339 12.7938 12.7938 13.1952 13.1952 13.5431 13.5431 13.6561 13.6561 14.1633 14.1633 14.5383 14.5383 15.4443 15.4443 15.6784 15.6784 k = 0.0000 0.8715 0.3644 ( 4519 PWs) bands (ev): -42.7101 -42.7101 -42.6620 -42.6620 -19.5626 -19.5626 -19.5157 -19.5157 -18.9557 -18.9557 -18.9234 -18.9234 -18.8620 -18.8620 -18.7219 -18.7219 10.1725 10.1725 10.6119 10.6119 10.7940 10.7940 10.8354 10.8354 10.8862 10.8862 10.9738 10.9738 11.1893 11.1893 11.4479 11.4479 11.7674 11.7674 11.9426 11.9426 12.7922 12.7922 13.1757 13.1757 13.5529 13.5529 13.6642 13.6642 14.1838 14.1838 14.5393 14.5393 15.4475 15.4475 15.7270 15.7270 k = 0.5000 0.7535 0.5697 ( 4518 PWs) bands (ev): -42.6860 -42.6860 -42.6860 -42.6860 -19.6082 -19.6082 -19.6075 -19.6075 -18.9958 -18.9958 -18.9905 -18.9905 -18.6627 -18.6627 -18.6581 -18.6581 9.9265 9.9265 9.9424 9.9424 10.2978 10.2978 10.3096 10.3096 11.0792 11.0792 11.0896 11.0896 11.3529 11.3529 11.3738 11.3738 12.6507 12.6507 12.6543 12.6543 13.2793 13.2793 13.3041 13.3041 13.7856 13.7856 13.8140 13.8140 14.6218 14.6218 14.6339 14.6339 15.5259 15.5259 15.5269 15.5269 k = 0.5000 0.7387 0.5697 ( 4520 PWs) bands (ev): -42.6863 -42.6863 -42.6863 -42.6863 -19.6068 -19.6068 -19.6057 -19.6057 -18.9959 -18.9959 -18.9893 -18.9893 -18.6634 -18.6634 -18.6577 -18.6577 9.9234 9.9234 9.9414 9.9414 10.3029 10.3029 10.3162 10.3162 11.0867 11.0867 11.0986 11.0986 11.3563 11.3563 11.3801 11.3801 12.6234 12.6234 12.6269 12.6269 13.2771 13.2771 13.3048 13.3048 13.7567 13.7567 13.7877 13.7877 14.6803 14.6803 14.6927 14.6927 15.4778 15.4778 15.4783 15.4783 k = 0.5000 0.7239 0.5697 ( 4518 PWs) bands (ev): -42.6867 -42.6867 -42.6867 -42.6867 -19.6050 -19.6050 -19.6036 -19.6036 -18.9960 -18.9960 -18.9879 -18.9879 -18.6641 -18.6641 -18.6574 -18.6574 9.9201 9.9201 9.9401 9.9401 10.3089 10.3089 10.3235 10.3235 11.0950 11.0950 11.1084 11.1084 11.3610 11.3610 11.3878 11.3878 12.5914 12.5914 12.5945 12.5945 13.2730 13.2730 13.3033 13.3033 13.7299 13.7299 13.7633 13.7633 14.7367 14.7367 14.7496 14.7496 15.4249 15.4249 15.4250 15.4250 k = 0.5000 0.7092 0.5697 ( 4520 PWs) bands (ev): -42.6872 -42.6872 -42.6872 -42.6872 -19.6029 -19.6029 -19.6011 -19.6011 -18.9959 -18.9959 -18.9865 -18.9865 -18.6649 -18.6649 -18.6571 -18.6571 9.9168 9.9168 9.9384 9.9384 10.3157 10.3157 10.3314 10.3314 11.1040 11.1040 11.1190 11.1190 11.3669 11.3669 11.3966 11.3966 12.5548 12.5548 12.5573 12.5573 13.2672 13.2672 13.2993 13.2993 13.7059 13.7059 13.7413 13.7413 14.7891 14.7891 14.8025 14.8025 15.3683 15.3683 15.3692 15.3692 k = 0.5000 0.6944 0.5697 ( 4518 PWs) bands (ev): -42.6878 -42.6878 -42.6877 -42.6877 -19.6004 -19.6004 -19.5983 -19.5983 -18.9957 -18.9957 -18.9848 -18.9848 -18.6657 -18.6657 -18.6568 -18.6568 9.9135 9.9135 9.9366 9.9366 10.3232 10.3232 10.3397 10.3397 11.1136 11.1136 11.1302 11.1302 11.3739 11.3739 11.4067 11.4067 12.5139 12.5139 12.5156 12.5156 13.2597 13.2597 13.2930 13.2930 13.6852 13.6852 13.7221 13.7221 14.8348 14.8348 14.8487 14.8487 15.3112 15.3112 15.3131 15.3131 k = 0.5000 0.6796 0.5697 ( 4516 PWs) bands (ev): -42.6884 -42.6884 -42.6884 -42.6884 -19.5977 -19.5977 -19.5952 -19.5952 -18.9953 -18.9953 -18.9830 -18.9830 -18.6665 -18.6665 -18.6566 -18.6566 9.9104 9.9104 9.9346 9.9346 10.3314 10.3314 10.3484 10.3484 11.1237 11.1237 11.1419 11.1419 11.3821 11.3821 11.4180 11.4180 12.4690 12.4690 12.4699 12.4699 13.2507 13.2507 13.2843 13.2843 13.6680 13.6680 13.7057 13.7057 14.8692 14.8692 14.8833 14.8833 15.2584 15.2584 15.2610 15.2610 k = 0.5000 0.6648 0.5697 ( 4520 PWs) bands (ev): -42.6891 -42.6891 -42.6891 -42.6891 -19.5947 -19.5947 -19.5918 -19.5918 -18.9947 -18.9947 -18.9811 -18.9811 -18.6673 -18.6673 -18.6564 -18.6564 9.9075 9.9075 9.9326 9.9326 10.3399 10.3399 10.3572 10.3572 11.1343 11.1343 11.1541 11.1541 11.3914 11.3914 11.4303 11.4303 12.4205 12.4205 12.4207 12.4207 13.2402 13.2402 13.2734 13.2734 13.6545 13.6545 13.6923 13.6923 14.8846 14.8846 14.8979 14.8979 15.2182 15.2182 15.2206 15.2206 k = 0.5000 0.6501 0.5697 ( 4518 PWs) bands (ev): -42.6899 -42.6899 -42.6898 -42.6898 -19.5914 -19.5914 -19.5881 -19.5881 -18.9940 -18.9940 -18.9790 -18.9790 -18.6681 -18.6681 -18.6561 -18.6561 9.9048 9.9048 9.9306 9.9306 10.3489 10.3489 10.3662 10.3662 11.1453 11.1453 11.1668 11.1668 11.4017 11.4017 11.4437 11.4437 12.3679 12.3679 12.3693 12.3693 13.2284 13.2284 13.2603 13.2603 13.6445 13.6445 13.6818 13.6818 14.8727 14.8727 14.8833 14.8833 15.2001 15.2001 15.2004 15.2004 k = 0.5000 0.6353 0.5697 ( 4516 PWs) bands (ev): -42.6907 -42.6907 -42.6906 -42.6906 -19.5878 -19.5878 -19.5842 -19.5842 -18.9932 -18.9932 -18.9768 -18.9768 -18.6690 -18.6690 -18.6559 -18.6559 9.9024 9.9024 9.9286 9.9286 10.3580 10.3580 10.3752 10.3752 11.1566 11.1566 11.1797 11.1797 11.4129 11.4129 11.4579 11.4579 12.3128 12.3128 12.3153 12.3153 13.2154 13.2154 13.2454 13.2454 13.6379 13.6379 13.6740 13.6740 14.8322 14.8322 14.8392 14.8392 15.2017 15.2017 15.2045 15.2045 k = 0.5000 0.6205 0.5697 ( 4512 PWs) bands (ev): -42.6915 -42.6915 -42.6915 -42.6915 -19.5840 -19.5840 -19.5801 -19.5801 -18.9922 -18.9922 -18.9744 -18.9744 -18.6698 -18.6698 -18.6558 -18.6558 9.9004 9.9004 9.9268 9.9268 10.3673 10.3673 10.3841 10.3841 11.1681 11.1681 11.1929 11.1929 11.4249 11.4249 11.4730 11.4730 12.2557 12.2557 12.2595 12.2595 13.2011 13.2011 13.2288 13.2288 13.6342 13.6342 13.6687 13.6687 14.7712 14.7712 14.7748 14.7748 15.2168 15.2168 15.2225 15.2225 k = 0.5000 0.6058 0.5697 ( 4512 PWs) bands (ev): -42.6925 -42.6925 -42.6924 -42.6924 -19.5800 -19.5800 -19.5758 -19.5758 -18.9910 -18.9910 -18.9719 -18.9719 -18.6707 -18.6707 -18.6556 -18.6556 9.8986 9.8986 9.9251 9.9251 10.3767 10.3767 10.3928 10.3928 11.1798 11.1798 11.2061 11.2061 11.4377 11.4377 11.4887 11.4887 12.1972 12.1972 12.2022 12.2022 13.1858 13.1858 13.2107 13.2107 13.6333 13.6333 13.6658 13.6658 14.6981 14.6981 14.6989 14.6989 15.2375 15.2375 15.2455 15.2455 k = 0.5000 0.5910 0.5697 ( 4502 PWs) bands (ev): -42.6935 -42.6935 -42.6934 -42.6934 -19.5759 -19.5759 -19.5712 -19.5712 -18.9896 -18.9896 -18.9693 -18.9693 -18.6715 -18.6715 -18.6554 -18.6554 9.8972 9.8972 9.9236 9.9236 10.3859 10.3859 10.4013 10.4013 11.1914 11.1914 11.2192 11.2192 11.4511 11.4511 11.5051 11.5051 12.1378 12.1378 12.1441 12.1441 13.1694 13.1694 13.1914 13.1914 13.6347 13.6347 13.6650 13.6650 14.6168 14.6168 14.6183 14.6183 15.2590 15.2590 15.2689 15.2689 k = 0.5000 0.5762 0.5697 ( 4500 PWs) bands (ev): -42.6945 -42.6945 -42.6945 -42.6945 -19.5715 -19.5715 -19.5666 -19.5666 -18.9881 -18.9881 -18.9664 -18.9664 -18.6723 -18.6723 -18.6553 -18.6553 9.8961 9.8961 9.9222 9.9222 10.3951 10.3951 10.4095 10.4095 11.2028 11.2028 11.2320 11.2320 11.4649 11.4649 11.5218 11.5218 12.0781 12.0781 12.0857 12.0857 13.1521 13.1521 13.1710 13.1710 13.6381 13.6381 13.6660 13.6660 14.5313 14.5313 14.5348 14.5348 15.2788 15.2788 15.2903 15.2903 k = 0.5000 0.5614 0.5697 ( 4498 PWs) bands (ev): -42.6956 -42.6956 -42.6955 -42.6955 -19.5671 -19.5671 -19.5618 -19.5618 -18.9864 -18.9864 -18.9635 -18.9635 -18.6731 -18.6731 -18.6551 -18.6551 9.8953 9.8953 9.9209 9.9209 10.4040 10.4040 10.4172 10.4172 11.2139 11.2139 11.2444 11.2444 11.4790 11.4790 11.5387 11.5387 12.0188 12.0188 12.0278 12.0278 13.1338 13.1338 13.1497 13.1497 13.6432 13.6432 13.6685 13.6685 14.4443 14.4443 14.4497 14.4497 15.2956 15.2956 15.3088 15.3088 k = 0.5000 0.5467 0.5697 ( 4506 PWs) bands (ev): -42.6967 -42.6967 -42.6967 -42.6967 -19.5625 -19.5625 -19.5569 -19.5569 -18.9845 -18.9845 -18.9604 -18.9604 -18.6738 -18.6738 -18.6549 -18.6549 9.8948 9.8948 9.9197 9.9197 10.4126 10.4126 10.4245 10.4245 11.2245 11.2245 11.2560 11.2560 11.4933 11.4933 11.5558 11.5558 11.9604 11.9604 11.9709 11.9709 13.1145 13.1145 13.1275 13.1275 13.6495 13.6495 13.6722 13.6722 14.3571 14.3571 14.3644 14.3644 15.3091 15.3091 15.3238 15.3238 k = 0.5000 0.5319 0.5697 ( 4508 PWs) bands (ev): -42.6979 -42.6979 -42.6978 -42.6978 -19.5579 -19.5579 -19.5520 -19.5520 -18.9825 -18.9825 -18.9571 -18.9571 -18.6745 -18.6745 -18.6547 -18.6547 9.8943 9.8943 9.9185 9.9185 10.4208 10.4208 10.4312 10.4312 11.2341 11.2341 11.2667 11.2667 11.5074 11.5074 11.5728 11.5728 11.9036 11.9036 11.9157 11.9157 13.0945 13.0945 13.1045 13.1045 13.6565 13.6565 13.6765 13.6765 14.2709 14.2709 14.2802 14.2802 15.3191 15.3191 15.3354 15.3354 k = 0.5000 0.5171 0.5697 ( 4510 PWs) bands (ev): -42.6991 -42.6991 -42.6990 -42.6990 -19.5531 -19.5531 -19.5470 -19.5470 -18.9803 -18.9803 -18.9537 -18.9537 -18.6752 -18.6752 -18.6545 -18.6545 9.8940 9.8940 9.9172 9.9172 10.4286 10.4286 10.4374 10.4374 11.2425 11.2425 11.2759 11.2759 11.5212 11.5212 11.5893 11.5893 11.8490 11.8490 11.8631 11.8631 13.0736 13.0736 13.0808 13.0808 13.6636 13.6636 13.6808 13.6808 14.1870 14.1870 14.1984 14.1984 15.3258 15.3258 15.3438 15.3438 k = 0.5000 0.5023 0.5697 ( 4508 PWs) bands (ev): -42.7003 -42.7003 -42.7003 -42.7003 -19.5484 -19.5484 -19.5419 -19.5419 -18.9779 -18.9779 -18.9502 -18.9502 -18.6758 -18.6758 -18.6542 -18.6542 9.8937 9.8937 9.9157 9.9157 10.4359 10.4359 10.4428 10.4428 11.2493 11.2493 11.2831 11.2831 11.5343 11.5343 11.6052 11.6052 11.7978 11.7978 11.8140 11.8140 13.0519 13.0519 13.0565 13.0565 13.6696 13.6696 13.6838 13.6838 14.1070 14.1070 14.1208 14.1208 15.3296 15.3296 15.3493 15.3493 k = 0.5000 0.4876 0.5697 ( 4500 PWs) bands (ev): -42.7016 -42.7016 -42.7015 -42.7015 -19.5436 -19.5436 -19.5369 -19.5369 -18.9753 -18.9753 -18.9466 -18.9466 -18.6763 -18.6763 -18.6539 -18.6539 9.8933 9.8933 9.9141 9.9141 10.4427 10.4427 10.4477 10.4477 11.2538 11.2538 11.2878 11.2878 11.5462 11.5462 11.6195 11.6195 11.7511 11.7511 11.7696 11.7696 13.0295 13.0295 13.0315 13.0315 13.6724 13.6724 13.6835 13.6835 14.0334 14.0334 14.0498 14.0498 15.3309 15.3309 15.3522 15.3522 k = 0.5000 0.4728 0.5697 ( 4500 PWs) bands (ev): -42.7029 -42.7029 -42.7028 -42.7028 -19.5389 -19.5389 -19.5319 -19.5319 -18.9726 -18.9726 -18.9429 -18.9429 -18.6768 -18.6768 -18.6536 -18.6536 9.8927 9.8927 9.9120 9.9120 10.4489 10.4489 10.4518 10.4518 11.2554 11.2554 11.2892 11.2892 11.5561 11.5561 11.6301 11.6301 11.7119 11.7119 11.7315 11.7315 13.0061 13.0061 13.0064 13.0064 13.6685 13.6685 13.6763 13.6763 13.9702 13.9702 13.9893 13.9893 15.3302 15.3302 15.3531 15.3531 k = 0.5000 0.4580 0.5697 ( 4500 PWs) bands (ev): -42.7042 -42.7042 -42.7041 -42.7041 -19.5342 -19.5342 -19.5270 -19.5270 -18.9698 -18.9698 -18.9391 -18.9391 -18.6772 -18.6772 -18.6533 -18.6533 9.8917 9.8917 9.9095 9.9095 10.4545 10.4545 10.4552 10.4552 11.2535 11.2535 11.2865 11.2865 11.5630 11.5630 11.6297 11.6297 11.6883 11.6883 11.7014 11.7014 12.9803 12.9803 12.9829 12.9829 13.6524 13.6524 13.6579 13.6579 13.9231 13.9231 13.9443 13.9443 15.3280 15.3280 15.3524 15.3524 k = 0.5000 0.4432 0.5697 ( 4500 PWs) bands (ev): -42.7055 -42.7055 -42.7054 -42.7054 -19.5295 -19.5295 -19.5222 -19.5222 -18.9667 -18.9667 -18.9352 -18.9352 -18.6774 -18.6774 -18.6529 -18.6529 9.8902 9.8902 9.9063 9.9063 10.4580 10.4580 10.4596 10.4596 11.2474 11.2474 11.2790 11.2790 11.5656 11.5656 11.6123 11.6123 11.6813 11.6813 11.6867 11.6867 12.9541 12.9541 12.9589 12.9589 13.6201 13.6201 13.6249 13.6249 13.8966 13.8966 13.9181 13.9181 15.3245 15.3245 15.3505 15.3505 k = 0.5000 0.4285 0.5697 ( 4500 PWs) bands (ev): -42.7068 -42.7068 -42.7068 -42.7068 -19.5249 -19.5249 -19.5174 -19.5174 -18.9636 -18.9636 -18.9313 -18.9313 -18.6776 -18.6776 -18.6525 -18.6525 9.8880 9.8880 9.9024 9.9024 10.4601 10.4601 10.4641 10.4641 11.2365 11.2365 11.2665 11.2665 11.5640 11.5640 11.5905 11.5905 11.6715 11.6715 11.6951 11.6951 12.9277 12.9277 12.9346 12.9346 13.5732 13.5732 13.5790 13.5790 13.8891 13.8891 13.9093 13.9093 15.3204 15.3204 15.3477 15.3477 k = 0.5000 0.4137 0.5697 ( 4500 PWs) bands (ev): -42.7082 -42.7082 -42.7081 -42.7081 -19.5204 -19.5204 -19.5128 -19.5128 -18.9603 -18.9603 -18.9274 -18.9274 -18.6777 -18.6777 -18.6520 -18.6520 9.8850 9.8850 9.8977 9.8977 10.4617 10.4617 10.4679 10.4679 11.2210 11.2210 11.2492 11.2492 11.5599 11.5599 11.5720 11.5720 11.6699 11.6699 11.7056 11.7056 12.9013 12.9013 12.9102 12.9102 13.5177 13.5177 13.5253 13.5253 13.8949 13.8949 13.9132 13.9132 15.3159 15.3159 15.3445 15.3445 k = 0.5000 0.3989 0.5697 ( 4500 PWs) bands (ev): -42.7095 -42.7095 -42.7094 -42.7094 -19.5160 -19.5160 -19.5083 -19.5083 -18.9568 -18.9568 -18.9234 -18.9234 -18.6776 -18.6776 -18.6514 -18.6514 9.8810 9.8810 9.8919 9.8919 10.4628 10.4628 10.4713 10.4713 11.2014 11.2014 11.2280 11.2280 11.5555 11.5555 11.5582 11.5582 11.6733 11.6733 11.7161 11.7161 12.8751 12.8751 12.8858 12.8858 13.4589 13.4589 13.4681 13.4681 13.9091 13.9091 13.9253 13.9253 15.3113 15.3113 15.3412 15.3412 k = 0.5000 0.3841 0.5697 ( 4502 PWs) bands (ev): -42.7109 -42.7109 -42.7108 -42.7108 -19.5117 -19.5117 -19.5039 -19.5039 -18.9533 -18.9533 -18.9194 -18.9194 -18.6774 -18.6774 -18.6509 -18.6509 9.8759 9.8759 9.8849 9.8849 10.4636 10.4636 10.4742 10.4742 11.1786 11.1786 11.2041 11.2041 11.5487 11.5487 11.5522 11.5522 11.6792 11.6792 11.7261 11.7261 12.8491 12.8491 12.8617 12.8617 13.3996 13.3996 13.4103 13.4103 13.9285 13.9285 13.9431 13.9431 15.3070 15.3070 15.3380 15.3380 k = 0.5000 0.3694 0.5697 ( 4502 PWs) bands (ev): -42.7122 -42.7122 -42.7121 -42.7121 -19.5076 -19.5076 -19.4997 -19.4997 -18.9497 -18.9497 -18.9155 -18.9155 -18.6770 -18.6770 -18.6502 -18.6502 9.8695 9.8695 9.8768 9.8768 10.4641 10.4641 10.4766 10.4766 11.1538 11.1538 11.1786 11.1786 11.5428 11.5428 11.5501 11.5501 11.6861 11.6861 11.7352 11.7352 12.8236 12.8236 12.8380 12.8380 13.3416 13.3416 13.3535 13.3535 13.9517 13.9517 13.9647 13.9647 15.3032 15.3032 15.3350 15.3350 k = 0.5000 0.3546 0.5697 ( 4504 PWs) bands (ev): -42.7135 -42.7135 -42.7134 -42.7134 -19.5035 -19.5035 -19.4957 -19.4957 -18.9461 -18.9461 -18.9116 -18.9116 -18.6765 -18.6765 -18.6495 -18.6495 9.8617 9.8617 9.8673 9.8673 10.4646 10.4646 10.4787 10.4787 11.1278 11.1278 11.1525 11.1525 11.5392 11.5392 11.5488 11.5488 11.6935 11.6935 11.7435 11.7435 12.7987 12.7987 12.8149 12.8149 13.2856 13.2856 13.2986 13.2986 13.9778 13.9778 13.9894 13.9894 15.3000 15.3000 15.3327 15.3327 k = 0.5000 0.3398 0.5697 ( 4510 PWs) bands (ev): -42.7148 -42.7148 -42.7147 -42.7147 -19.4997 -19.4997 -19.4919 -19.4919 -18.9423 -18.9423 -18.9079 -18.9079 -18.6759 -18.6759 -18.6488 -18.6488 9.8525 9.8525 9.8566 9.8566 10.4651 10.4651 10.4804 10.4804 11.1014 11.1014 11.1266 11.1266 11.5373 11.5373 11.5480 11.5480 11.7008 11.7008 11.7508 11.7508 12.7748 12.7748 12.7927 12.7927 13.2323 13.2323 13.2459 13.2459 14.0060 14.0060 14.0165 14.0165 15.2976 15.2976 15.3309 15.3309 k = 0.5000 0.3250 0.5697 ( 4508 PWs) bands (ev): -42.7161 -42.7161 -42.7160 -42.7160 -19.4960 -19.4960 -19.4882 -19.4882 -18.9386 -18.9386 -18.9042 -18.9042 -18.6750 -18.6750 -18.6480 -18.6480 9.8419 9.8419 9.8446 9.8446 10.4657 10.4657 10.4817 10.4817 11.0754 11.0754 11.1015 11.1015 11.5364 11.5364 11.5473 11.5473 11.7079 11.7079 11.7573 11.7573 12.7519 12.7519 12.7714 12.7714 13.1817 13.1817 13.1958 13.1958 14.0362 14.0362 14.0456 14.0456 15.2962 15.2962 15.3300 15.3300 k = 0.5000 0.3103 0.5697 ( 4508 PWs) bands (ev): -42.7174 -42.7174 -42.7173 -42.7173 -19.4924 -19.4924 -19.4848 -19.4848 -18.9348 -18.9348 -18.9006 -18.9006 -18.6741 -18.6741 -18.6472 -18.6472 9.8299 9.8299 9.8314 9.8314 10.4664 10.4664 10.4827 10.4827 11.0500 11.0500 11.0776 11.0776 11.5359 11.5359 11.5463 11.5463 11.7147 11.7147 11.7630 11.7630 12.7302 12.7302 12.7511 12.7511 13.1341 13.1341 13.1483 13.1483 14.0681 14.0681 14.0765 14.0765 15.2958 15.2958 15.3300 15.3300 k = 0.5000 0.2955 0.5697 ( 4512 PWs) bands (ev): -42.7186 -42.7186 -42.7185 -42.7185 -19.4890 -19.4890 -19.4815 -19.4815 -18.9310 -18.9310 -18.8973 -18.8973 -18.6729 -18.6729 -18.6463 -18.6463 9.8166 9.8166 9.8170 9.8170 10.4672 10.4672 10.4833 10.4833 11.0257 11.0257 11.0551 11.0551 11.5356 11.5356 11.5450 11.5450 11.7212 11.7212 11.7680 11.7680 12.7098 12.7098 12.7321 12.7321 13.0893 13.0893 13.1035 13.1035 14.1013 14.1013 14.1089 14.1089 15.2965 15.2965 15.3308 15.3308 k = 0.5000 0.2807 0.5697 ( 4506 PWs) bands (ev): -42.7198 -42.7198 -42.7197 -42.7197 -19.4858 -19.4858 -19.4785 -19.4785 -18.9272 -18.9272 -18.8940 -18.8940 -18.6716 -18.6716 -18.6454 -18.6454 9.8017 9.8017 9.8022 9.8022 10.4680 10.4680 10.4835 10.4835 11.0027 11.0027 11.0342 11.0342 11.5352 11.5352 11.5433 11.5433 11.7272 11.7272 11.7724 11.7724 12.6908 12.6908 12.7142 12.7142 13.0473 13.0473 13.0613 13.0613 14.1358 14.1358 14.1426 14.1426 15.2983 15.2983 15.3326 15.3326 k = 0.5000 0.2659 0.5697 ( 4506 PWs) bands (ev): -42.7210 -42.7210 -42.7209 -42.7209 -19.4828 -19.4828 -19.4756 -19.4756 -18.9235 -18.9235 -18.8910 -18.8910 -18.6702 -18.6702 -18.6445 -18.6445 9.7855 9.7855 9.7867 9.7867 10.4689 10.4689 10.4831 10.4831 10.9813 10.9813 11.0151 11.0151 11.5347 11.5347 11.5412 11.5412 11.7328 11.7328 11.7763 11.7763 12.6731 12.6731 12.6975 12.6975 13.0081 13.0081 13.0217 13.0217 14.1713 14.1713 14.1774 14.1774 15.3013 15.3013 15.3353 15.3353 k = 0.5000 0.2512 0.5697 ( 4500 PWs) bands (ev): -42.7221 -42.7221 -42.7220 -42.7220 -19.4799 -19.4799 -19.4730 -19.4730 -18.9198 -18.9198 -18.8882 -18.8882 -18.6686 -18.6686 -18.6436 -18.6436 9.7688 9.7688 9.7705 9.7705 10.4694 10.4694 10.4820 10.4820 10.9616 10.9616 10.9979 10.9979 11.5339 11.5339 11.5387 11.5387 11.7380 11.7380 11.7796 11.7796 12.6569 12.6569 12.6819 12.6819 12.9716 12.9716 12.9846 12.9846 14.2077 14.2077 14.2132 14.2132 15.3053 15.3053 15.3390 15.3390 k = 0.5000 0.2364 0.5697 ( 4508 PWs) bands (ev): -42.7232 -42.7232 -42.7231 -42.7231 -19.4772 -19.4772 -19.4705 -19.4705 -18.9162 -18.9162 -18.8856 -18.8856 -18.6669 -18.6669 -18.6426 -18.6426 9.7516 9.7516 9.7537 9.7537 10.4696 10.4696 10.4802 10.4802 10.9439 10.9439 10.9827 10.9827 11.5328 11.5328 11.5359 11.5359 11.7428 11.7428 11.7825 11.7825 12.6419 12.6419 12.6673 12.6673 12.9377 12.9377 12.9501 12.9501 14.2448 14.2448 14.2496 14.2496 15.3103 15.3103 15.3435 15.3435 k = 0.5000 0.2216 0.5697 ( 4508 PWs) bands (ev): -42.7242 -42.7242 -42.7241 -42.7241 -19.4747 -19.4747 -19.4683 -19.4683 -18.9127 -18.9127 -18.8833 -18.8833 -18.6650 -18.6650 -18.6417 -18.6417 9.7343 9.7343 9.7366 9.7366 10.4691 10.4691 10.4775 10.4775 10.9284 10.9284 10.9696 10.9696 11.5315 11.5315 11.5329 11.5329 11.7472 11.7472 11.7850 11.7850 12.6282 12.6282 12.6536 12.6536 12.9064 12.9064 12.9180 12.9180 14.2823 14.2823 14.2866 14.2866 15.3164 15.3164 15.3488 15.3488 k = 0.5000 0.2068 0.5697 ( 4512 PWs) bands (ev): -42.7252 -42.7252 -42.7251 -42.7251 -19.4723 -19.4723 -19.4662 -19.4662 -18.9093 -18.9093 -18.8812 -18.8812 -18.6631 -18.6631 -18.6408 -18.6408 9.7170 9.7170 9.7195 9.7195 10.4677 10.4677 10.4738 10.4738 10.9153 10.9153 10.9585 10.9585 11.5297 11.5297 11.5300 11.5300 11.7512 11.7512 11.7871 11.7871 12.6156 12.6156 12.6407 12.6407 12.8775 12.8775 12.8884 12.8884 14.3201 14.3201 14.3238 14.3238 15.3233 15.3233 15.3547 15.3547 k = 0.5000 0.1921 0.5697 ( 4512 PWs) bands (ev): -42.7261 -42.7261 -42.7261 -42.7261 -19.4701 -19.4701 -19.4644 -19.4644 -18.9060 -18.9060 -18.8793 -18.8793 -18.6611 -18.6611 -18.6399 -18.6399 9.7000 9.7000 9.7025 9.7025 10.4654 10.4654 10.4693 10.4693 10.9046 10.9046 10.9495 10.9495 11.5265 11.5265 11.5284 11.5284 11.7547 11.7547 11.7888 11.7888 12.6040 12.6040 12.6285 12.6285 12.8512 12.8512 12.8612 12.8612 14.3578 14.3578 14.3611 14.3611 15.3309 15.3309 15.3613 15.3613 k = 0.5000 0.1773 0.5697 ( 4512 PWs) bands (ev): -42.7270 -42.7270 -42.7269 -42.7269 -19.4681 -19.4681 -19.4627 -19.4627 -18.9028 -18.9028 -18.8777 -18.8777 -18.6590 -18.6590 -18.6391 -18.6391 9.6834 9.6834 9.6858 9.6858 10.4621 10.4621 10.4639 10.4639 10.8965 10.8965 10.9424 10.9424 11.5234 11.5234 11.5265 11.5265 11.7579 11.7579 11.7901 11.7901 12.5934 12.5934 12.6169 12.6169 12.8272 12.8272 12.8365 12.8365 14.3953 14.3953 14.3981 14.3981 15.3392 15.3392 15.3683 15.3683 k = 0.5000 0.1625 0.5697 ( 4504 PWs) bands (ev): -42.7278 -42.7278 -42.7277 -42.7277 -19.4662 -19.4662 -19.4612 -19.4612 -18.8997 -18.8997 -18.8763 -18.8763 -18.6569 -18.6569 -18.6384 -18.6384 9.6675 9.6675 9.6698 9.6698 10.4577 10.4577 10.4578 10.4578 10.8910 10.8910 10.9371 10.9371 11.5203 11.5203 11.5246 11.5246 11.7608 11.7608 11.7910 11.7910 12.5837 12.5837 12.6058 12.6058 12.8056 12.8056 12.8142 12.8142 14.4321 14.4321 14.4346 14.4346 15.3480 15.3480 15.3756 15.3756 k = 0.5000 0.1477 0.5697 ( 4508 PWs) bands (ev): -42.7285 -42.7285 -42.7285 -42.7285 -19.4645 -19.4645 -19.4599 -19.4599 -18.8968 -18.8968 -18.8752 -18.8752 -18.6549 -18.6549 -18.6377 -18.6377 9.6524 9.6524 9.6546 9.6546 10.4510 10.4510 10.4524 10.4524 10.8878 10.8878 10.9333 10.9333 11.5174 11.5174 11.5225 11.5225 11.7634 11.7634 11.7916 11.7916 12.5747 12.5747 12.5952 12.5952 12.7864 12.7864 12.7943 12.7943 14.4680 14.4680 14.4701 14.4701 15.3571 15.3571 15.3830 15.3830 k = 0.5000 0.1330 0.5697 ( 4510 PWs) bands (ev): -42.7292 -42.7292 -42.7292 -42.7292 -19.4629 -19.4629 -19.4587 -19.4587 -18.8940 -18.8940 -18.8744 -18.8744 -18.6528 -18.6528 -18.6371 -18.6371 9.6382 9.6382 9.6403 9.6403 10.4440 10.4440 10.4464 10.4464 10.8868 10.8868 10.9308 10.9308 11.5147 11.5147 11.5204 11.5204 11.7657 11.7657 11.7918 11.7918 12.5666 12.5666 12.5852 12.5852 12.7694 12.7694 12.7767 12.7767 14.5026 14.5026 14.5043 14.5043 15.3663 15.3663 15.3905 15.3905 k = 0.5000 0.1182 0.5697 ( 4512 PWs) bands (ev): -42.7299 -42.7299 -42.7298 -42.7298 -19.4615 -19.4615 -19.4577 -19.4577 -18.8914 -18.8914 -18.8737 -18.8737 -18.6507 -18.6507 -18.6367 -18.6367 9.6253 9.6253 9.6271 9.6271 10.4369 10.4369 10.4399 10.4399 10.8876 10.8876 10.9293 10.9293 11.5121 11.5121 11.5182 11.5182 11.7678 11.7678 11.7917 11.7917 12.5592 12.5592 12.5757 12.5757 12.7546 12.7546 12.7613 12.7613 14.5354 14.5354 14.5368 14.5368 15.3756 15.3756 15.3977 15.3977 k = 0.5000 0.1034 0.5697 ( 4514 PWs) bands (ev): -42.7304 -42.7304 -42.7304 -42.7304 -19.4602 -19.4602 -19.4569 -19.4569 -18.8889 -18.8889 -18.8733 -18.8733 -18.6488 -18.6488 -18.6363 -18.6363 9.6135 9.6135 9.6152 9.6152 10.4299 10.4299 10.4332 10.4332 10.8899 10.8899 10.9284 10.9284 11.5099 11.5099 11.5161 11.5161 11.7698 11.7698 11.7913 11.7913 12.5525 12.5525 12.5669 12.5669 12.7420 12.7420 12.7481 12.7481 14.5660 14.5660 14.5672 14.5672 15.3846 15.3846 15.4045 15.4045 k = 0.5000 0.0886 0.5697 ( 4514 PWs) bands (ev): -42.7309 -42.7309 -42.7309 -42.7309 -19.4591 -19.4591 -19.4562 -19.4562 -18.8866 -18.8866 -18.8731 -18.8731 -18.6469 -18.6469 -18.6361 -18.6361 9.6032 9.6032 9.6046 9.6046 10.4233 10.4233 10.4267 10.4267 10.8933 10.8933 10.9279 10.9279 11.5080 11.5080 11.5139 11.5139 11.7716 11.7716 11.7905 11.7905 12.5467 12.5467 12.5589 12.5589 12.7314 12.7314 12.7368 12.7368 14.5940 14.5940 14.5949 14.5949 15.3932 15.3932 15.4107 15.4107 k = 0.5000 0.0739 0.5697 ( 4508 PWs) bands (ev): -42.7313 -42.7313 -42.7313 -42.7313 -19.4581 -19.4581 -19.4557 -19.4557 -18.8845 -18.8845 -18.8732 -18.8732 -18.6451 -18.6451 -18.6361 -18.6361 9.5942 9.5942 9.5954 9.5954 10.4174 10.4174 10.4205 10.4205 10.8975 10.8975 10.9275 10.9275 11.5064 11.5064 11.5119 11.5119 11.7734 11.7734 11.7895 11.7895 12.5417 12.5417 12.5517 12.5517 12.7227 12.7227 12.7274 12.7274 14.6188 14.6188 14.6195 14.6195 15.4012 15.4012 15.4162 15.4162 k = 0.5000 0.0591 0.5697 ( 4506 PWs) bands (ev): -42.7316 -42.7316 -42.7316 -42.7316 -19.4572 -19.4572 -19.4553 -19.4553 -18.8826 -18.8826 -18.8734 -18.8734 -18.6435 -18.6435 -18.6362 -18.6362 9.5869 9.5869 9.5878 9.5878 10.4124 10.4124 10.4151 10.4151 10.9021 10.9021 10.9269 10.9269 11.5052 11.5052 11.5099 11.5099 11.7751 11.7751 11.7883 11.7883 12.5377 12.5377 12.5455 12.5455 12.7159 12.7159 12.7198 12.7198 14.6400 14.6400 14.6405 14.6405 15.4085 15.4085 15.4207 15.4207 k = 0.5000 0.0443 0.5697 ( 4506 PWs) bands (ev): -42.7319 -42.7319 -42.7319 -42.7319 -19.4565 -19.4565 -19.4550 -19.4550 -18.8808 -18.8808 -18.8739 -18.8739 -18.6420 -18.6420 -18.6365 -18.6365 9.5811 9.5811 9.5818 9.5818 10.4083 10.4083 10.4105 10.4105 10.9068 10.9068 10.9258 10.9258 11.5044 11.5044 11.5082 11.5082 11.7769 11.7769 11.7869 11.7869 12.5346 12.5346 12.5404 12.5404 12.7108 12.7108 12.7138 12.7138 14.6570 14.6570 14.6573 14.6573 15.4147 15.4147 15.4240 15.4240 k = 0.5000 0.0295 0.5697 ( 4500 PWs) bands (ev): -42.7321 -42.7321 -42.7321 -42.7321 -19.4559 -19.4559 -19.4549 -19.4549 -18.8792 -18.8792 -18.8746 -18.8746 -18.6406 -18.6406 -18.6370 -18.6370 9.5770 9.5770 9.5775 9.5775 10.4055 10.4055 10.4070 10.4070 10.9114 10.9114 10.9243 10.9243 11.5040 11.5040 11.5067 11.5067 11.7786 11.7786 11.7854 11.7854 12.5327 12.5327 12.5365 12.5365 12.7074 12.7074 12.7095 12.7095 14.6695 14.6695 14.6697 14.6697 15.4198 15.4198 15.4261 15.4261 k = 0.5000 0.0148 0.5697 ( 4496 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4555 -19.4555 -19.4550 -19.4550 -18.8777 -18.8777 -18.8754 -18.8754 -18.6395 -18.6395 -18.6376 -18.6376 9.5745 9.5745 9.5748 9.5748 10.4039 10.4039 10.4047 10.4047 10.9155 10.9155 10.9220 10.9220 11.5041 11.5041 11.5055 11.5055 11.7803 11.7803 11.7837 11.7837 12.5318 12.5318 12.5337 12.5337 12.7056 12.7056 12.7067 12.7067 14.6772 14.6772 14.6773 14.6773 15.4235 15.4235 15.4267 15.4267 k = 0.5000-0.0000 0.5697 ( 4496 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4552 -19.4552 -19.4552 -19.4552 -18.8765 -18.8765 -18.8765 -18.8765 -18.6385 -18.6385 -18.6385 -18.6385 9.5738 9.5738 9.5738 9.5738 10.4036 10.4036 10.4036 10.4036 10.9191 10.9191 10.9191 10.9191 11.5046 11.5046 11.5046 11.5046 11.7820 11.7820 11.7820 11.7820 12.5322 12.5322 12.5322 12.5322 12.7054 12.7054 12.7054 12.7054 14.6798 14.6798 14.6798 14.6798 15.4259 15.4259 15.4259 15.4259 k = 0.5000-0.0000 0.5697 ( 4496 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4552 -19.4552 -19.4552 -19.4552 -18.8765 -18.8765 -18.8765 -18.8765 -18.6385 -18.6385 -18.6385 -18.6385 9.5738 9.5738 9.5738 9.5738 10.4036 10.4036 10.4036 10.4036 10.9191 10.9191 10.9191 10.9191 11.5046 11.5046 11.5046 11.5046 11.7820 11.7820 11.7820 11.7820 12.5322 12.5322 12.5322 12.5322 12.7054 12.7054 12.7054 12.7054 14.6798 14.6798 14.6798 14.6798 15.4259 15.4259 15.4259 15.4259 k = 0.5000-0.0000 0.5551 ( 4498 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4552 -19.4552 -19.4551 -19.4551 -18.8765 -18.8765 -18.8765 -18.8765 -18.6385 -18.6385 -18.6384 -18.6384 9.5697 9.5697 9.5699 9.5699 10.4039 10.4039 10.4053 10.4053 10.9150 10.9150 10.9220 10.9220 11.5036 11.5036 11.5075 11.5075 11.7793 11.7793 11.7837 11.7837 12.5294 12.5294 12.5345 12.5345 12.7062 12.7062 12.7102 12.7102 14.6795 14.6795 14.6798 14.6798 15.4248 15.4248 15.4267 15.4267 k = 0.5000-0.0000 0.5405 ( 4500 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4552 -19.4552 -19.4550 -19.4550 -18.8765 -18.8765 -18.8764 -18.8764 -18.6385 -18.6385 -18.6384 -18.6384 9.5578 9.5578 9.5581 9.5581 10.4060 10.4060 10.4088 10.4088 10.9098 10.9098 10.9237 10.9237 11.5046 11.5046 11.5122 11.5122 11.7755 11.7755 11.7843 11.7843 12.5264 12.5264 12.5360 12.5360 12.7128 12.7128 12.7204 12.7204 14.6789 14.6789 14.6795 14.6795 15.4237 15.4237 15.4274 15.4274 k = 0.5000-0.0000 0.5259 ( 4498 PWs) bands (ev): -42.7323 -42.7323 -42.7323 -42.7323 -19.4551 -19.4551 -19.4549 -19.4549 -18.8764 -18.8764 -18.8763 -18.8763 -18.6385 -18.6385 -18.6384 -18.6384 9.5385 9.5385 9.5389 9.5389 10.4097 10.4097 10.4136 10.4136 10.9038 10.9038 10.9240 10.9240 11.5074 11.5074 11.5184 11.5184 11.7707 11.7707 11.7837 11.7837 12.5234 12.5234 12.5367 12.5367 12.7253 12.7253 12.7356 12.7356 14.6780 14.6780 14.6789 14.6789 15.4225 15.4225 15.4279 15.4279 k = 0.5000-0.0000 0.5113 ( 4500 PWs) bands (ev): -42.7323 -42.7323 -42.7323 -42.7323 -19.4551 -19.4551 -19.4548 -19.4548 -18.8763 -18.8763 -18.8762 -18.8762 -18.6384 -18.6384 -18.6383 -18.6383 9.5124 9.5124 9.5129 9.5129 10.4145 10.4145 10.4194 10.4194 10.8974 10.8974 10.9232 10.9232 11.5120 11.5120 11.5258 11.5258 11.7649 11.7649 11.7819 11.7819 12.5208 12.5208 12.5367 12.5367 12.7434 12.7434 12.7556 12.7556 14.6768 14.6768 14.6780 14.6780 15.4214 15.4214 15.4283 15.4283 k = 0.5000-0.0000 0.4967 ( 4492 PWs) bands (ev): -42.7323 -42.7323 -42.7323 -42.7323 -19.4550 -19.4550 -19.4546 -19.4546 -18.8762 -18.8762 -18.8760 -18.8760 -18.6384 -18.6384 -18.6383 -18.6383 9.4804 9.4804 9.4808 9.4808 10.4199 10.4199 10.4256 10.4256 10.8907 10.8907 10.9214 10.9214 11.5179 11.5179 11.5341 11.5341 11.7581 11.7581 11.7789 11.7789 12.5185 12.5185 12.5361 12.5361 12.7670 12.7670 12.7802 12.7802 14.6753 14.6753 14.6769 14.6769 15.4206 15.4206 15.4288 15.4288 k = 0.5000-0.0000 0.4821 ( 4500 PWs) bands (ev): -42.7323 -42.7323 -42.7323 -42.7323 -19.4548 -19.4548 -19.4544 -19.4544 -18.8761 -18.8761 -18.8758 -18.8758 -18.6384 -18.6384 -18.6382 -18.6382 9.4431 9.4431 9.4436 9.4436 10.4254 10.4254 10.4315 10.4315 10.8842 10.8842 10.9188 10.9188 11.5249 11.5249 11.5428 11.5428 11.7504 11.7504 11.7747 11.7747 12.5166 12.5166 12.5351 12.5351 12.7957 12.7957 12.8093 12.8093 14.6736 14.6736 14.6754 14.6754 15.4201 15.4201 15.4294 15.4294 k = 0.5000-0.0000 0.4675 ( 4498 PWs) bands (ev): -42.7323 -42.7323 -42.7323 -42.7323 -19.4547 -19.4547 -19.4542 -19.4542 -18.8759 -18.8759 -18.8756 -18.8756 -18.6383 -18.6383 -18.6382 -18.6382 9.4016 9.4016 9.4020 9.4020 10.4306 10.4306 10.4367 10.4367 10.8780 10.8780 10.9156 10.9156 11.5326 11.5326 11.5517 11.5517 11.7417 11.7417 11.7692 11.7692 12.5152 12.5152 12.5339 12.5339 12.8290 12.8290 12.8427 12.8427 14.6715 14.6715 14.6736 14.6736 15.4202 15.4202 15.4303 15.4303 k = 0.5000-0.0000 0.4528 ( 4504 PWs) bands (ev): -42.7324 -42.7324 -42.7324 -42.7324 -19.4545 -19.4545 -19.4540 -19.4540 -18.8757 -18.8757 -18.8754 -18.8754 -18.6383 -18.6383 -18.6381 -18.6381 9.3564 9.3564 9.3569 9.3569 10.4350 10.4350 10.4407 10.4407 10.8724 10.8724 10.9121 10.9121 11.5406 11.5406 11.5605 11.5605 11.7322 11.7322 11.7624 11.7624 12.5141 12.5141 12.5327 12.5327 12.8668 12.8668 12.8802 12.8802 14.6692 14.6692 14.6716 14.6716 15.4208 15.4208 15.4315 15.4315 k = 0.5000-0.0000 0.4382 ( 4506 PWs) bands (ev): -42.7324 -42.7324 -42.7324 -42.7324 -19.4543 -19.4543 -19.4538 -19.4538 -18.8755 -18.8755 -18.8751 -18.8751 -18.6382 -18.6382 -18.6380 -18.6380 9.3084 9.3084 9.3088 9.3088 10.4383 10.4383 10.4433 10.4433 10.8676 10.8676 10.9085 10.9085 11.5486 11.5486 11.5689 11.5689 11.7218 11.7218 11.7544 11.7544 12.5134 12.5134 12.5315 12.5315 12.9085 12.9085 12.9215 12.9215 14.6667 14.6667 14.6693 14.6693 15.4222 15.4222 15.4332 15.4332 k = 0.5000-0.0000 0.4236 ( 4510 PWs) bands (ev): -42.7324 -42.7324 -42.7324 -42.7324 -19.4541 -19.4541 -19.4535 -19.4535 -18.8752 -18.8752 -18.8748 -18.8748 -18.6381 -18.6381 -18.6379 -18.6379 9.2582 9.2582 9.2586 9.2586 10.4403 10.4403 10.4444 10.4444 10.8638 10.8638 10.9051 10.9051 11.5562 11.5562 11.5766 11.5766 11.7108 11.7108 11.7452 11.7452 12.5130 12.5130 12.5304 12.5304 12.9538 12.9538 12.9664 12.9664 14.6639 14.6639 14.6667 14.6667 15.4241 15.4241 15.4354 15.4354 k = 0.5000-0.0000 0.4090 ( 4512 PWs) bands (ev): -42.7325 -42.7325 -42.7325 -42.7325 -19.4538 -19.4538 -19.4532 -19.4532 -18.8750 -18.8750 -18.8745 -18.8745 -18.6381 -18.6381 -18.6378 -18.6378 9.2064 9.2064 9.2067 9.2067 10.4409 10.4409 10.4437 10.4437 10.8608 10.8608 10.9018 10.9018 11.5632 11.5632 11.5837 11.5837 11.6993 11.6993 11.7350 11.7350 12.5129 12.5129 12.5293 12.5293 13.0024 13.0024 13.0145 13.0145 14.6609 14.6609 14.6639 14.6639 15.4268 15.4268 15.4381 15.4381 k = 0.5000-0.0000 0.3944 ( 4510 PWs) bands (ev): -42.7325 -42.7325 -42.7325 -42.7325 -19.4536 -19.4536 -19.4529 -19.4529 -18.8747 -18.8747 -18.8742 -18.8742 -18.6380 -18.6380 -18.6377 -18.6377 9.1534 9.1534 9.1537 9.1537 10.4401 10.4401 10.4413 10.4413 10.8589 10.8589 10.8990 10.8990 11.5693 11.5693 11.5898 11.5898 11.6875 11.6875 11.7239 11.7239 12.5129 12.5129 12.5284 12.5284 13.0537 13.0537 13.0654 13.0654 14.6578 14.6578 14.6609 14.6609 15.4301 15.4301 15.4413 15.4413 k = 0.5000-0.0000 0.3798 ( 4510 PWs) bands (ev): -42.7325 -42.7325 -42.7325 -42.7325 -19.4533 -19.4533 -19.4526 -19.4526 -18.8744 -18.8744 -18.8739 -18.8739 -18.6379 -18.6379 -18.6376 -18.6376 9.0998 9.0998 9.1001 9.1001 10.4374 10.4374 10.4378 10.4378 10.8578 10.8578 10.8966 10.8966 11.5740 11.5740 11.5949 11.5949 11.6758 11.6758 11.7122 11.7122 12.5131 12.5131 12.5277 12.5277 13.1074 13.1074 13.1188 13.1188 14.6544 14.6544 14.6577 14.6577 15.4340 15.4340 15.4450 15.4450 k = 0.5000-0.0000 0.3652 ( 4510 PWs) bands (ev): -42.7326 -42.7326 -42.7326 -42.7326 -19.4530 -19.4530 -19.4522 -19.4522 -18.8740 -18.8740 -18.8735 -18.8735 -18.6378 -18.6378 -18.6375 -18.6375 9.0459 9.0459 9.0462 9.0462 10.4321 10.4321 10.4342 10.4342 10.8575 10.8575 10.8946 10.8946 11.5769 11.5769 11.5986 11.5986 11.6649 11.6649 11.7002 11.7002 12.5135 12.5135 12.5271 12.5271 13.1631 13.1631 13.1741 13.1741 14.6509 14.6509 14.6543 14.6543 15.4384 15.4384 15.4491 15.4491 k = 0.5000-0.0000 0.3506 ( 4520 PWs) bands (ev): -42.7326 -42.7326 -42.7326 -42.7326 -19.4527 -19.4527 -19.4519 -19.4519 -18.8737 -18.8737 -18.8731 -18.8731 -18.6377 -18.6377 -18.6374 -18.6374 8.9922 8.9922 8.9924 8.9924 10.4255 10.4255 10.4294 10.4294 10.8579 10.8579 10.8931 10.8931 11.5771 11.5771 11.6006 11.6006 11.6554 11.6554 11.6885 11.6885 12.5140 12.5140 12.5266 12.5266 13.2202 13.2202 13.2309 13.2309 14.6473 14.6473 14.6508 14.6508 15.4432 15.4432 15.4535 15.4535 k = 0.5000-0.0000 0.3360 ( 4520 PWs) bands (ev): -42.7327 -42.7327 -42.7327 -42.7327 -19.4523 -19.4523 -19.4515 -19.4515 -18.8733 -18.8733 -18.8728 -18.8728 -18.6376 -18.6376 -18.6373 -18.6373 8.9388 8.9388 8.9391 8.9391 10.4178 10.4178 10.4234 10.4234 10.8588 10.8588 10.8920 10.8920 11.5741 11.5741 11.6003 11.6003 11.6482 11.6482 11.6777 11.6777 12.5146 12.5146 12.5262 12.5262 13.2785 13.2785 13.2888 13.2888 14.6436 14.6436 14.6471 14.6471 15.4483 15.4483 15.4582 15.4582 k = 0.5000-0.0000 0.3214 ( 4522 PWs) bands (ev): -42.7327 -42.7327 -42.7327 -42.7327 -19.4520 -19.4520 -19.4512 -19.4512 -18.8730 -18.8730 -18.8724 -18.8724 -18.6375 -18.6375 -18.6372 -18.6372 8.8862 8.8862 8.8864 8.8864 10.4094 10.4094 10.4165 10.4165 10.8602 10.8602 10.8912 10.8912 11.5674 11.5674 11.5970 11.5970 11.6439 11.6439 11.6688 11.6688 12.5153 12.5153 12.5260 12.5260 13.3374 13.3374 13.3475 13.3475 14.6399 14.6399 14.6434 14.6434 15.4536 15.4536 15.4630 15.4630 k = 0.5000-0.0000 0.3068 ( 4528 PWs) bands (ev): -42.7328 -42.7328 -42.7328 -42.7328 -19.4516 -19.4516 -19.4508 -19.4508 -18.8726 -18.8726 -18.8720 -18.8720 -18.6374 -18.6374 -18.6371 -18.6371 8.8346 8.8346 8.8348 8.8348 10.4003 10.4003 10.4088 10.4088 10.8620 10.8620 10.8908 10.8908 11.5574 11.5574 11.5902 11.5902 11.6420 11.6420 11.6625 11.6625 12.5161 12.5161 12.5259 12.5259 13.3966 13.3966 13.4064 13.4064 14.6361 14.6361 14.6397 14.6397 15.4591 15.4591 15.4680 15.4680 k = 0.5000-0.0000 0.2922 ( 4526 PWs) bands (ev): -42.7328 -42.7328 -42.7328 -42.7328 -19.4513 -19.4513 -19.4505 -19.4505 -18.8722 -18.8722 -18.8716 -18.8716 -18.6373 -18.6373 -18.6370 -18.6370 8.7841 8.7841 8.7843 8.7843 10.3907 10.3907 10.4005 10.4005 10.8640 10.8640 10.8907 10.8907 11.5452 11.5452 11.5801 11.5801 11.6419 11.6419 11.6587 11.6587 12.5169 12.5169 12.5259 12.5259 13.4557 13.4557 13.4652 13.4652 14.6324 14.6324 14.6360 14.6360 15.4645 15.4645 15.4729 15.4729 k = 0.5000-0.0000 0.2776 ( 4526 PWs) bands (ev): -42.7329 -42.7329 -42.7329 -42.7329 -19.4509 -19.4509 -19.4501 -19.4501 -18.8718 -18.8718 -18.8712 -18.8712 -18.6371 -18.6371 -18.6369 -18.6369 8.7351 8.7351 8.7353 8.7353 10.3809 10.3809 10.3917 10.3917 10.8661 10.8661 10.8907 10.8907 11.5316 11.5316 11.5674 11.5674 11.6428 11.6428 11.6569 11.6569 12.5177 12.5177 12.5259 12.5259 13.5143 13.5143 13.5236 13.5236 14.6287 14.6287 14.6323 14.6323 15.4699 15.4699 15.4778 15.4778 k = 0.5000-0.0000 0.2629 ( 4526 PWs) bands (ev): -42.7329 -42.7329 -42.7329 -42.7329 -19.4506 -19.4506 -19.4498 -19.4498 -18.8714 -18.8714 -18.8709 -18.8709 -18.6370 -18.6370 -18.6367 -18.6367 8.6877 8.6877 8.6879 8.6879 10.3709 10.3709 10.3825 10.3825 10.8683 10.8683 10.8910 10.8910 11.5172 11.5172 11.5532 11.5532 11.6443 11.6443 11.6564 11.6564 12.5186 12.5186 12.5261 12.5261 13.5720 13.5720 13.5811 13.5811 14.6251 14.6251 14.6286 14.6286 15.4751 15.4751 15.4825 15.4825 k = 0.5000-0.0000 0.2483 ( 4528 PWs) bands (ev): -42.7330 -42.7330 -42.7330 -42.7330 -19.4502 -19.4502 -19.4494 -19.4494 -18.8710 -18.8710 -18.8705 -18.8705 -18.6369 -18.6369 -18.6366 -18.6366 8.6420 8.6420 8.6422 8.6422 10.3610 10.3610 10.3732 10.3732 10.8706 10.8706 10.8913 10.8913 11.5025 11.5025 11.5380 11.5380 11.6459 11.6459 11.6565 11.6565 12.5195 12.5195 12.5263 12.5263 13.6287 13.6287 13.6374 13.6374 14.6217 14.6217 14.6251 14.6251 15.4800 15.4800 15.4869 15.4869 k = 0.5000-0.0000 0.2337 ( 4528 PWs) bands (ev): -42.7330 -42.7330 -42.7330 -42.7330 -19.4499 -19.4499 -19.4491 -19.4491 -18.8707 -18.8707 -18.8701 -18.8701 -18.6368 -18.6368 -18.6365 -18.6365 8.5983 8.5983 8.5985 8.5985 10.3511 10.3511 10.3637 10.3637 10.8728 10.8728 10.8917 10.8917 11.4878 11.4878 11.5224 11.5224 11.6477 11.6477 11.6570 11.6570 12.5205 12.5205 12.5266 12.5266 13.6838 13.6838 13.6923 13.6923 14.6183 14.6183 14.6217 14.6217 15.4846 15.4846 15.4911 15.4911 k = 0.5000-0.0000 0.2191 ( 4530 PWs) bands (ev): -42.7331 -42.7331 -42.7331 -42.7331 -19.4495 -19.4495 -19.4488 -19.4488 -18.8703 -18.8703 -18.8697 -18.8697 -18.6367 -18.6367 -18.6364 -18.6364 8.5566 8.5566 8.5568 8.5568 10.3416 10.3416 10.3544 10.3544 10.8749 10.8749 10.8921 10.8921 11.4734 11.4734 11.5067 11.5067 11.6494 11.6494 11.6577 11.6577 12.5214 12.5214 12.5269 12.5269 13.7372 13.7372 13.7454 13.7454 14.6152 14.6152 14.6184 14.6184 15.4889 15.4889 15.4949 15.4949 k = 0.5000-0.0000 0.2045 ( 4530 PWs) bands (ev): -42.7331 -42.7331 -42.7331 -42.7331 -19.4492 -19.4492 -19.4484 -19.4484 -18.8699 -18.8699 -18.8694 -18.8694 -18.6366 -18.6366 -18.6363 -18.6363 8.5171 8.5171 8.5173 8.5173 10.3323 10.3323 10.3451 10.3451 10.8769 10.8769 10.8925 10.8925 11.4594 11.4594 11.4911 11.4911 11.6510 11.6510 11.6584 11.6584 12.5223 12.5223 12.5273 12.5273 13.7885 13.7885 13.7964 13.7964 14.6123 14.6123 14.6154 14.6154 15.4928 15.4928 15.4984 15.4984 k = 0.5000-0.0000 0.1899 ( 4530 PWs) bands (ev): -42.7332 -42.7332 -42.7332 -42.7332 -19.4489 -19.4489 -19.4481 -19.4481 -18.8696 -18.8696 -18.8691 -18.8691 -18.6365 -18.6365 -18.6362 -18.6362 8.4799 8.4799 8.4801 8.4801 10.3235 10.3235 10.3361 10.3361 10.8788 10.8788 10.8929 10.8929 11.4459 11.4459 11.4760 11.4760 11.6526 11.6526 11.6592 11.6592 12.5232 12.5232 12.5277 12.5277 13.8376 13.8376 13.8450 13.8450 14.6096 14.6096 14.6126 14.6126 15.4963 15.4963 15.5014 15.5014 k = 0.5000-0.0000 0.1753 ( 4526 PWs) bands (ev): -42.7332 -42.7332 -42.7332 -42.7332 -19.4485 -19.4485 -19.4479 -19.4479 -18.8692 -18.8692 -18.8688 -18.8688 -18.6364 -18.6364 -18.6361 -18.6361 8.4451 8.4451 8.4453 8.4453 10.3152 10.3152 10.3275 10.3275 10.8806 10.8806 10.8932 10.8932 11.4331 11.4331 11.4614 11.4614 11.6540 11.6540 11.6599 11.6599 12.5241 12.5241 12.5281 12.5281 13.8840 13.8840 13.8911 13.8911 14.6072 14.6072 14.6100 14.6100 15.4993 15.4993 15.5041 15.5041 k = 0.5000-0.0000 0.1607 ( 4522 PWs) bands (ev): -42.7332 -42.7332 -42.7332 -42.7332 -19.4482 -19.4482 -19.4476 -19.4476 -18.8689 -18.8689 -18.8685 -18.8685 -18.6363 -18.6363 -18.6360 -18.6360 8.4128 8.4128 8.4129 8.4129 10.3074 10.3074 10.3192 10.3192 10.8822 10.8822 10.8935 10.8935 11.4211 11.4211 11.4474 11.4474 11.6553 11.6553 11.6606 11.6606 12.5249 12.5249 12.5285 12.5285 13.9276 13.9276 13.9343 13.9343 14.6050 14.6050 14.6077 14.6077 15.5020 15.5020 15.5063 15.5063 k = 0.5000-0.0000 0.1461 ( 4516 PWs) bands (ev): -42.7333 -42.7333 -42.7333 -42.7333 -19.4480 -19.4480 -19.4474 -19.4474 -18.8686 -18.8686 -18.8682 -18.8682 -18.6362 -18.6362 -18.6360 -18.6360 8.3830 8.3830 8.3831 8.3831 10.3002 10.3002 10.3114 10.3114 10.8837 10.8837 10.8937 10.8937 11.4101 11.4101 11.4342 11.4342 11.6565 11.6565 11.6612 11.6612 12.5258 12.5258 12.5289 12.5289 13.9682 13.9682 13.9744 13.9744 14.6032 14.6032 14.6057 14.6057 15.5042 15.5042 15.5081 15.5081 k = 0.5000-0.0000 0.1315 ( 4514 PWs) bands (ev): -42.7333 -42.7333 -42.7333 -42.7333 -19.4477 -19.4477 -19.4471 -19.4471 -18.8683 -18.8683 -18.8679 -18.8679 -18.6361 -18.6361 -18.6359 -18.6359 8.3559 8.3559 8.3560 8.3560 10.2937 10.2937 10.3041 10.3041 10.8851 10.8851 10.8939 10.8939 11.3999 11.3999 11.4219 11.4219 11.6576 11.6576 11.6617 11.6617 12.5265 12.5265 12.5292 12.5292 14.0056 14.0056 14.0113 14.0113 14.6017 14.6017 14.6040 14.6040 15.5060 15.5060 15.5095 15.5095 k = 0.5000-0.0000 0.1169 ( 4514 PWs) bands (ev): -42.7333 -42.7333 -42.7333 -42.7333 -19.4474 -19.4474 -19.4469 -19.4469 -18.8680 -18.8680 -18.8677 -18.8677 -18.6360 -18.6360 -18.6358 -18.6358 8.3314 8.3314 8.3315 8.3315 10.2878 10.2878 10.2974 10.2974 10.8863 10.8863 10.8940 10.8940 11.3909 11.3909 11.4106 11.4106 11.6586 11.6586 11.6621 11.6621 12.5272 12.5272 12.5296 12.5296 14.0395 14.0395 14.0446 14.0446 14.6005 14.6005 14.6025 14.6025 15.5075 15.5075 15.5106 15.5106 k = 0.5000-0.0000 0.1023 ( 4518 PWs) bands (ev): -42.7334 -42.7334 -42.7334 -42.7334 -19.4472 -19.4472 -19.4468 -19.4468 -18.8678 -18.8678 -18.8675 -18.8675 -18.6359 -18.6359 -18.6358 -18.6358 8.3097 8.3097 8.3098 8.3098 10.2826 10.2826 10.2912 10.2912 10.8874 10.8874 10.8940 10.8940 11.3829 11.3829 11.4003 11.4003 11.6594 11.6594 11.6625 11.6625 12.5279 12.5279 12.5299 12.5299 14.0698 14.0698 14.0744 14.0744 14.5996 14.5996 14.6014 14.6014 15.5086 15.5086 15.5114 15.5114 k = 0.5000-0.0000 0.0876 ( 4520 PWs) bands (ev): -42.7334 -42.7334 -42.7334 -42.7334 -19.4470 -19.4470 -19.4466 -19.4466 -18.8676 -18.8676 -18.8673 -18.8673 -18.6358 -18.6358 -18.6357 -18.6357 8.2908 8.2908 8.2909 8.2909 10.2782 10.2782 10.2858 10.2858 10.8884 10.8884 10.8939 10.8939 11.3761 11.3761 11.3911 11.3911 11.6602 11.6602 11.6628 11.6628 12.5285 12.5285 12.5302 12.5302 14.0963 14.0963 14.1004 14.1004 14.5990 14.5990 14.6005 14.6005 15.5095 15.5095 15.5119 15.5119 k = 0.5000-0.0000 0.0730 ( 4512 PWs) bands (ev): -42.7334 -42.7334 -42.7334 -42.7334 -19.4468 -19.4468 -19.4465 -19.4465 -18.8674 -18.8674 -18.8672 -18.8672 -18.6358 -18.6358 -18.6357 -18.6357 8.2748 8.2748 8.2749 8.2749 10.2746 10.2746 10.2810 10.2810 10.8892 10.8892 10.8938 10.8938 11.3704 11.3704 11.3830 11.3830 11.6609 11.6609 11.6630 11.6630 12.5290 12.5290 12.5304 12.5304 14.1190 14.1190 14.1224 14.1224 14.5986 14.5986 14.5999 14.5999 15.5102 15.5102 15.5122 15.5122 k = 0.5000-0.0000 0.0584 ( 4510 PWs) bands (ev): -42.7334 -42.7334 -42.7334 -42.7334 -19.4467 -19.4467 -19.4464 -19.4464 -18.8672 -18.8672 -18.8671 -18.8671 -18.6357 -18.6357 -18.6356 -18.6356 8.2616 8.2616 8.2617 8.2617 10.2717 10.2717 10.2769 10.2769 10.8900 10.8900 10.8936 10.8936 11.3660 11.3660 11.3761 11.3761 11.6614 11.6614 11.6631 11.6631 12.5295 12.5295 12.5306 12.5306 14.1378 14.1378 14.1405 14.1405 14.5984 14.5984 14.5994 14.5994 15.5108 15.5108 15.5123 15.5123 k = 0.5000-0.0000 0.0438 ( 4514 PWs) bands (ev): -42.7334 -42.7334 -42.7334 -42.7334 -19.4465 -19.4465 -19.4463 -19.4463 -18.8671 -18.8671 -18.8670 -18.8670 -18.6357 -18.6357 -18.6356 -18.6356 8.2513 8.2513 8.2514 8.2514 10.2696 10.2696 10.2735 10.2735 10.8907 10.8907 10.8933 10.8933 11.3628 11.3628 11.3704 11.3704 11.6619 11.6619 11.6632 11.6632 12.5299 12.5299 12.5307 12.5307 14.1525 14.1525 14.1546 14.1546 14.5983 14.5983 14.5991 14.5991 15.5111 15.5111 15.5123 15.5123 k = 0.5000-0.0000 0.0292 ( 4518 PWs) bands (ev): -42.7335 -42.7335 -42.7335 -42.7335 -19.4464 -19.4464 -19.4463 -19.4463 -18.8670 -18.8670 -18.8669 -18.8669 -18.6357 -18.6357 -18.6356 -18.6356 8.2440 8.2440 8.2440 8.2440 10.2683 10.2683 10.2709 10.2709 10.8913 10.8913 10.8930 10.8930 11.3609 11.3609 11.3660 11.3660 11.6623 11.6623 11.6632 11.6632 12.5302 12.5302 12.5307 12.5307 14.1631 14.1631 14.1645 14.1645 14.5984 14.5984 14.5989 14.5989 15.5115 15.5115 15.5123 15.5123 k = 0.5000-0.0000 0.0146 ( 4516 PWs) bands (ev): -42.7335 -42.7335 -42.7335 -42.7335 -19.4464 -19.4464 -19.4463 -19.4463 -18.8669 -18.8669 -18.8669 -18.8669 -18.6356 -18.6356 -18.6356 -18.6356 8.2396 8.2396 8.2396 8.2396 10.2677 10.2677 10.2691 10.2691 10.8918 10.8918 10.8927 10.8927 11.3603 11.3603 11.3628 11.3628 11.6627 11.6627 11.6631 11.6631 12.5305 12.5305 12.5307 12.5307 14.1696 14.1696 14.1703 14.1703 14.5985 14.5985 14.5987 14.5987 15.5117 15.5117 15.5121 15.5121 k = 0.5000-0.0000-0.0000 ( 4514 PWs) bands (ev): -42.7335 -42.7335 -42.7335 -42.7335 -19.4463 -19.4463 -19.4463 -19.4463 -18.8669 -18.8669 -18.8669 -18.8669 -18.6356 -18.6356 -18.6356 -18.6356 8.2381 8.2381 8.2381 8.2381 10.2680 10.2680 10.2680 10.2680 10.8923 10.8923 10.8923 10.8923 11.3609 11.3609 11.3609 11.3609 11.6629 11.6629 11.6629 11.6629 12.5306 12.5306 12.5306 12.5306 14.1721 14.1721 14.1721 14.1721 14.5986 14.5986 14.5986 14.5986 15.5119 15.5119 15.5119 15.5119 k = 0.0000 0.0000 0.5697 ( 4528 PWs) bands (ev): -42.8098 -42.8098 -42.6535 -42.6535 -19.6510 -19.6510 -19.3843 -19.3843 -19.0135 -19.0135 -18.7393 -18.7393 -18.6969 -18.6969 -18.4377 -18.4377 8.3651 8.3651 9.2793 9.2793 10.7236 10.7236 10.7933 10.7933 10.9235 10.9235 11.3380 11.3380 11.5710 11.5710 11.6929 11.6929 11.8137 11.8137 11.8309 11.8309 11.9364 11.9364 12.3757 12.3757 12.4874 12.4874 12.7361 12.7361 14.5863 14.5863 14.7260 14.7260 15.5125 15.5125 15.7587 15.7587 k = 0.0147-0.0000 0.5697 ( 4530 PWs) bands (ev): -42.8097 -42.8097 -42.6536 -42.6536 -19.6507 -19.6507 -19.3843 -19.3843 -19.0133 -19.0133 -18.7393 -18.7393 -18.6970 -18.6970 -18.4380 -18.4380 8.3663 8.3663 9.2807 9.2807 10.7231 10.7231 10.7935 10.7935 10.9231 10.9231 11.3354 11.3354 11.5720 11.5720 11.6927 11.6927 11.8139 11.8139 11.8308 11.8308 11.9369 11.9369 12.3761 12.3761 12.4876 12.4876 12.7363 12.7363 14.5867 14.5867 14.7273 14.7273 15.5112 15.5112 15.7588 15.7588 k = 0.0294-0.0000 0.5697 ( 4528 PWs) bands (ev): -42.8094 -42.8094 -42.6539 -42.6539 -19.6499 -19.6499 -19.3844 -19.3844 -19.0130 -19.0130 -18.7393 -18.7393 -18.6973 -18.6973 -18.4389 -18.4389 8.3698 8.3698 9.2851 9.2851 10.7219 10.7219 10.7942 10.7942 10.9220 10.9220 11.3279 11.3279 11.5745 11.5745 11.6921 11.6921 11.8142 11.8142 11.8304 11.8304 11.9385 11.9385 12.3774 12.3774 12.4884 12.4884 12.7366 12.7366 14.5878 14.5878 14.7311 14.7311 15.5075 15.5075 15.7589 15.7589 k = 0.0441-0.0000 0.5697 ( 4526 PWs) bands (ev): -42.8090 -42.8090 -42.6543 -42.6543 -19.6486 -19.6486 -19.3845 -19.3845 -19.0125 -19.0125 -18.7393 -18.7393 -18.6977 -18.6977 -18.4404 -18.4404 8.3757 8.3757 9.2923 9.2923 10.7197 10.7197 10.7954 10.7954 10.9203 10.9203 11.3160 11.3160 11.5780 11.5780 11.6910 11.6910 11.8147 11.8147 11.8299 11.8299 11.9412 11.9412 12.3795 12.3795 12.4897 12.4897 12.7372 12.7372 14.5897 14.5897 14.7374 14.7374 15.5013 15.5013 15.7591 15.7591 k = 0.0588-0.0000 0.5697 ( 4534 PWs) bands (ev): -42.8085 -42.8085 -42.6549 -42.6549 -19.6467 -19.6467 -19.3847 -19.3847 -19.0117 -19.0117 -18.7394 -18.7394 -18.6983 -18.6983 -18.4425 -18.4425 8.3839 8.3839 9.3024 9.3024 10.7166 10.7166 10.7970 10.7970 10.9178 10.9178 11.3003 11.3003 11.5820 11.5820 11.6896 11.6896 11.8150 11.8150 11.8291 11.8291 11.9455 11.9455 12.3824 12.3824 12.4914 12.4914 12.7380 12.7380 14.5923 14.5923 14.7462 14.7462 15.4927 15.4927 15.7593 15.7593 k = 0.0735-0.0000 0.5697 ( 4536 PWs) bands (ev): -42.8077 -42.8077 -42.6556 -42.6556 -19.6443 -19.6443 -19.3849 -19.3849 -19.0108 -19.0108 -18.7396 -18.7396 -18.6990 -18.6990 -18.4451 -18.4451 8.3945 8.3945 9.3153 9.3153 10.7124 10.7124 10.7990 10.7990 10.9147 10.9147 11.2818 11.2818 11.5858 11.5858 11.6877 11.6877 11.8151 11.8151 11.8281 11.8281 11.9515 11.9515 12.3862 12.3862 12.4937 12.4937 12.7389 12.7389 14.5956 14.5956 14.7574 14.7574 15.4820 15.4820 15.7595 15.7595 k = 0.0882-0.0000 0.5697 ( 4542 PWs) bands (ev): -42.8068 -42.8068 -42.6566 -42.6566 -19.6414 -19.6414 -19.3852 -19.3852 -19.0096 -19.0096 -18.7398 -18.7398 -18.6997 -18.6997 -18.4483 -18.4483 8.4074 8.4074 9.3310 9.3310 10.7071 10.7071 10.8014 10.8014 10.9109 10.9109 11.2610 11.2610 11.5888 11.5888 11.6854 11.6854 11.8147 11.8147 11.8268 11.8268 11.9594 11.9594 12.3908 12.3908 12.4966 12.4966 12.7400 12.7400 14.5994 14.5994 14.7712 14.7712 15.4691 15.4691 15.7597 15.7597 k = 0.1029-0.0000 0.5697 ( 4544 PWs) bands (ev): -42.8058 -42.8058 -42.6576 -42.6576 -19.6380 -19.6380 -19.3855 -19.3855 -19.0082 -19.0082 -18.7401 -18.7401 -18.7006 -18.7006 -18.4521 -18.4521 8.4226 8.4226 9.3494 9.3494 10.7005 10.7005 10.8041 10.8041 10.9064 10.9064 11.2386 11.2386 11.5908 11.5908 11.6826 11.6826 11.8138 11.8138 11.8250 11.8250 11.9693 11.9693 12.3963 12.3963 12.5000 12.5000 12.7410 12.7410 14.6038 14.6038 14.7874 14.7874 15.4543 15.4543 15.7598 15.7598 k = 0.1176-0.0000 0.5697 ( 4544 PWs) bands (ev): -42.8046 -42.8046 -42.6589 -42.6589 -19.6341 -19.6341 -19.3860 -19.3860 -19.0065 -19.0065 -18.7406 -18.7406 -18.7015 -18.7015 -18.4563 -18.4563 8.4401 8.4401 9.3704 9.3704 10.6923 10.6923 10.8071 10.8071 10.9014 10.9014 11.2150 11.2150 11.5915 11.5915 11.6795 11.6795 11.8126 11.8126 11.8228 11.8228 11.9814 11.9814 12.4026 12.4026 12.5040 12.5040 12.7421 12.7421 14.6087 14.6087 14.8061 14.8061 15.4378 15.4378 15.7597 15.7597 k = 0.1324-0.0000 0.5697 ( 4538 PWs) bands (ev): -42.8032 -42.8032 -42.6603 -42.6603 -19.6297 -19.6297 -19.3865 -19.3865 -19.0046 -19.0046 -18.7413 -18.7413 -18.7023 -18.7023 -18.4611 -18.4611 8.4599 8.4599 9.3941 9.3941 10.6823 10.6823 10.8102 10.8102 10.8958 10.8958 11.1907 11.1907 11.5909 11.5909 11.6758 11.6758 11.8110 11.8110 11.8202 11.8202 11.9954 11.9954 12.4098 12.4098 12.5086 12.5086 12.7431 12.7431 14.6139 14.6139 14.8271 14.8271 15.4199 15.4199 15.7593 15.7593 k = 0.1471-0.0000 0.5697 ( 4532 PWs) bands (ev): -42.8017 -42.8017 -42.6618 -42.6618 -19.6249 -19.6249 -19.3871 -19.3871 -19.0025 -19.0025 -18.7423 -18.7423 -18.7030 -18.7030 -18.4663 -18.4663 8.4820 8.4820 9.4202 9.4202 10.6703 10.6703 10.8134 10.8134 10.8897 10.8897 11.1661 11.1661 11.5890 11.5890 11.6716 11.6716 11.8091 11.8091 11.8172 11.8172 12.0111 12.0111 12.4178 12.4178 12.5138 12.5138 12.7439 12.7439 14.6193 14.6193 14.8505 14.8505 15.4009 15.4009 15.7585 15.7585 k = 0.1618-0.0000 0.5697 ( 4532 PWs) bands (ev): -42.8000 -42.8000 -42.6635 -42.6635 -19.6196 -19.6196 -19.3877 -19.3877 -19.0002 -19.0002 -18.7436 -18.7436 -18.7036 -18.7036 -18.4720 -18.4720 8.5063 8.5063 9.4487 9.4487 10.6560 10.6560 10.8164 10.8164 10.8833 10.8833 11.1418 11.1418 11.5859 11.5859 11.6668 11.6668 11.8071 11.8071 11.8141 11.8141 12.0284 12.0284 12.4266 12.4266 12.5196 12.5196 12.7445 12.7445 14.6248 14.6248 14.8761 14.8761 15.3811 15.3811 15.7572 15.7572 k = 0.1765-0.0000 0.5697 ( 4528 PWs) bands (ev): -42.7982 -42.7982 -42.6654 -42.6654 -19.6140 -19.6140 -19.3885 -19.3885 -18.9977 -18.9977 -18.7453 -18.7453 -18.7039 -18.7039 -18.4781 -18.4781 8.5328 8.5328 9.4795 9.4795 10.6389 10.6389 10.8189 10.8189 10.8769 10.8769 11.1180 11.1180 11.5817 11.5817 11.6614 11.6614 11.8048 11.8048 11.8110 11.8110 12.0471 12.0471 12.4361 12.4361 12.5259 12.5259 12.7448 12.7448 14.6301 14.6301 14.9040 14.9040 15.3609 15.3609 15.7552 15.7552 k = 0.1912-0.0000 0.5697 ( 4524 PWs) bands (ev): -42.7963 -42.7963 -42.6674 -42.6674 -19.6080 -19.6080 -19.3894 -19.3894 -18.9948 -18.9948 -18.7475 -18.7475 -18.7040 -18.7040 -18.4845 -18.4845 8.5615 8.5615 9.5124 9.5124 10.6189 10.6189 10.8203 10.8203 10.8709 10.8709 11.0953 11.0953 11.5767 11.5767 11.6555 11.6555 11.8022 11.8022 11.8081 11.8081 12.0668 12.0668 12.4464 12.4464 12.5328 12.5328 12.7448 12.7448 14.6351 14.6351 14.9339 14.9339 15.3407 15.3407 15.7524 15.7524 k = 0.2059-0.0000 0.5697 ( 4524 PWs) bands (ev): -42.7942 -42.7942 -42.6695 -42.6695 -19.6017 -19.6017 -19.3905 -19.3905 -18.9918 -18.9918 -18.7501 -18.7501 -18.7037 -18.7037 -18.4913 -18.4913 8.5923 8.5923 9.5473 9.5473 10.5956 10.5956 10.8197 10.8197 10.8663 10.8663 11.0738 11.0738 11.5709 11.5709 11.6489 11.6489 11.7995 11.7995 11.8056 11.8056 12.0876 12.0876 12.4574 12.4574 12.5401 12.5401 12.7444 12.7444 14.6395 14.6395 14.9658 14.9658 15.3210 15.3210 15.7485 15.7485 k = 0.2206-0.0000 0.5697 ( 4520 PWs) bands (ev): -42.7920 -42.7920 -42.6718 -42.6718 -19.5950 -19.5950 -19.3916 -19.3916 -18.9885 -18.9885 -18.7532 -18.7532 -18.7031 -18.7031 -18.4984 -18.4984 8.6252 8.6252 9.5841 9.5841 10.5687 10.5687 10.8163 10.8163 10.8638 10.8638 11.0540 11.0540 11.5646 11.5646 11.6418 11.6418 11.7967 11.7967 11.8034 11.8034 12.1090 12.1090 12.4691 12.4691 12.5479 12.5479 12.7436 12.7436 14.6431 14.6431 14.9996 14.9996 15.3023 15.3023 15.7435 15.7435 k = 0.2353-0.0000 0.5697 ( 4520 PWs) bands (ev): -42.7896 -42.7896 -42.6742 -42.6742 -19.5881 -19.5881 -19.3929 -19.3929 -18.9849 -18.9849 -18.7568 -18.7568 -18.7022 -18.7022 -18.5057 -18.5057 8.6602 8.6602 9.6227 9.6227 10.5383 10.5383 10.8097 10.8097 10.8637 10.8637 11.0360 11.0360 11.5579 11.5579 11.6341 11.6341 11.7940 11.7940 11.8015 11.8015 12.1312 12.1312 12.4813 12.4813 12.5561 12.5561 12.7423 12.7423 14.6455 14.6455 15.0348 15.0348 15.2852 15.2852 15.7368 15.7368 k = 0.2500-0.0000 0.5697 ( 4522 PWs) bands (ev): -42.7872 -42.7872 -42.6767 -42.6767 -19.5809 -19.5809 -19.3944 -19.3944 -18.9811 -18.9811 -18.7608 -18.7608 -18.7010 -18.7010 -18.5133 -18.5133 8.6973 8.6973 9.6627 9.6627 10.5041 10.5041 10.8003 10.8003 10.8654 10.8654 11.0199 11.0199 11.5510 11.5510 11.6260 11.6260 11.7915 11.7915 11.7997 11.7997 12.1538 12.1538 12.4941 12.4941 12.5646 12.5646 12.7406 12.7406 14.6467 14.6467 15.0713 15.0713 15.2701 15.2701 15.7277 15.7277 k = 0.2647-0.0000 0.5697 ( 4522 PWs) bands (ev): -42.7846 -42.7846 -42.6793 -42.6793 -19.5735 -19.5735 -19.3960 -19.3960 -18.9770 -18.9770 -18.7653 -18.7653 -18.6994 -18.6994 -18.5210 -18.5210 8.7363 8.7363 9.7041 9.7041 10.4665 10.4665 10.7888 10.7888 10.8683 10.8683 11.0056 11.0056 11.5442 11.5442 11.6176 11.6176 11.7892 11.7892 11.7981 11.7981 12.1769 12.1769 12.5073 12.5073 12.5732 12.5732 12.7384 12.7384 14.6462 14.6462 15.1085 15.1085 15.2576 15.2576 15.7133 15.7133 k = 0.2794-0.0000 0.5697 ( 4518 PWs) bands (ev): -42.7819 -42.7819 -42.6821 -42.6821 -19.5659 -19.5659 -19.3978 -19.3978 -18.9726 -18.9726 -18.7703 -18.7703 -18.6976 -18.6976 -18.5289 -18.5289 8.7772 8.7772 9.7467 9.7467 10.4254 10.4254 10.7757 10.7757 10.8718 10.8718 10.9932 10.9932 11.5374 11.5374 11.6089 11.6089 11.7872 11.7872 11.7966 11.7966 12.2004 12.2004 12.5210 12.5210 12.5818 12.5818 12.7358 12.7358 14.6442 14.6442 15.1452 15.1452 15.2481 15.2481 15.6813 15.6813 k = 0.2941-0.0000 0.5697 ( 4514 PWs) bands (ev): -42.7791 -42.7791 -42.6849 -42.6849 -19.5582 -19.5582 -19.3998 -19.3998 -18.9680 -18.9680 -18.7756 -18.7756 -18.6954 -18.6954 -18.5368 -18.5368 8.8201 8.8201 9.7902 9.7902 10.3813 10.3813 10.7610 10.7610 10.8756 10.8756 10.9824 10.9824 11.5309 11.5309 11.6000 11.6000 11.7855 11.7855 11.7953 11.7953 12.2240 12.2240 12.5349 12.5349 12.5902 12.5902 12.7328 12.7328 14.6405 14.6405 15.1797 15.1797 15.2422 15.2422 15.6304 15.6304 k = 0.3088-0.0000 0.5697 ( 4516 PWs) bands (ev): -42.7762 -42.7762 -42.6879 -42.6879 -19.5504 -19.5504 -19.4020 -19.4020 -18.9631 -18.9631 -18.7813 -18.7813 -18.6930 -18.6930 -18.5448 -18.5448 8.8647 8.8647 9.8343 9.8343 10.3344 10.3344 10.7450 10.7450 10.8795 10.8795 10.9730 10.9730 11.5248 11.5248 11.5911 11.5911 11.7841 11.7841 11.7940 11.7940 12.2479 12.2479 12.5491 12.5491 12.5983 12.5983 12.7295 12.7295 14.6353 14.6353 15.2078 15.2078 15.2408 15.2408 15.5773 15.5773 k = 0.3235-0.0000 0.5697 ( 4516 PWs) bands (ev): -42.7732 -42.7732 -42.6910 -42.6910 -19.5425 -19.5425 -19.4045 -19.4045 -18.9579 -18.9579 -18.7873 -18.7873 -18.6904 -18.6904 -18.5528 -18.5528 8.9111 8.9111 9.8787 9.8787 10.2852 10.2852 10.7277 10.7277 10.8834 10.8834 10.9650 10.9650 11.5192 11.5192 11.5823 11.5823 11.7829 11.7829 11.7927 11.7927 12.2718 12.2718 12.5634 12.5634 12.6055 12.6055 12.7262 12.7262 14.6289 14.6289 15.2229 15.2229 15.2437 15.2437 15.5336 15.5336 k = 0.3382-0.0000 0.5697 ( 4514 PWs) bands (ev): -42.7701 -42.7701 -42.6941 -42.6941 -19.5346 -19.5346 -19.4072 -19.4072 -18.9524 -18.9524 -18.7937 -18.7937 -18.6874 -18.6874 -18.5608 -18.5608 8.9592 8.9592 9.9230 9.9230 10.2343 10.2343 10.7090 10.7090 10.8873 10.8873 10.9581 10.9581 11.5141 11.5141 11.5736 11.5736 11.7819 11.7819 11.7916 11.7916 12.2958 12.2958 12.5777 12.5777 12.6117 12.6117 12.7230 12.7230 14.6217 14.6217 15.2216 15.2216 15.2442 15.2442 15.5113 15.5113 k = 0.3529-0.0000 0.5697 ( 4514 PWs) bands (ev): -42.7669 -42.7669 -42.6973 -42.6973 -19.5266 -19.5266 -19.4101 -19.4101 -18.9467 -18.9467 -18.8003 -18.8003 -18.6842 -18.6842 -18.5687 -18.5687 9.0088 9.0088 9.9662 9.9662 10.1827 10.1827 10.6889 10.6889 10.8910 10.8910 10.9521 10.9521 11.5096 11.5096 11.5651 11.5651 11.7812 11.7812 11.7905 11.7905 12.3196 12.3196 12.5916 12.5916 12.6165 12.6165 12.7201 12.7201 14.6144 14.6144 15.1930 15.1930 15.2482 15.2482 15.5164 15.5164 k = 0.3676-0.0000 0.5697 ( 4514 PWs) bands (ev): -42.7637 -42.7637 -42.7006 -42.7006 -19.5188 -19.5188 -19.4133 -19.4133 -18.9407 -18.9407 -18.8072 -18.8072 -18.6808 -18.6808 -18.5765 -18.5765 9.0601 9.0601 10.0048 10.0048 10.1339 10.1339 10.6674 10.6674 10.8945 10.8945 10.9470 10.9470 11.5058 11.5058 11.5569 11.5569 11.7807 11.7807 11.7894 11.7894 12.3433 12.3433 12.6045 12.6045 12.6201 12.6201 12.7180 12.7180 14.6076 14.6076 15.1430 15.1430 15.2574 15.2574 15.5421 15.5421 k = 0.3824-0.0000 0.5697 ( 4518 PWs) bands (ev): -42.7604 -42.7604 -42.7039 -42.7039 -19.5110 -19.5110 -19.4168 -19.4168 -18.9344 -18.9344 -18.8144 -18.8144 -18.6771 -18.6771 -18.5842 -18.5842 9.1127 9.1127 10.0208 10.0208 10.1060 10.1060 10.6444 10.6444 10.8979 10.8979 10.9425 10.9425 11.5027 11.5027 11.5490 11.5490 11.7803 11.7803 11.7884 11.7884 12.3667 12.3667 12.6126 12.6126 12.6257 12.6257 12.7167 12.7167 14.6019 14.6019 15.0835 15.0835 15.2696 15.2696 15.5759 15.5759 k = 0.3971-0.0000 0.5697 ( 4510 PWs) bands (ev): -42.7570 -42.7570 -42.7074 -42.7074 -19.5033 -19.5033 -19.4205 -19.4205 -18.9279 -18.9279 -18.8218 -18.8218 -18.6731 -18.6731 -18.5917 -18.5917 9.1668 9.1668 9.9871 9.9871 10.1262 10.1262 10.6200 10.6200 10.9010 10.9010 10.9385 10.9385 11.5003 11.5003 11.5416 11.5416 11.7801 11.7801 11.7875 11.7875 12.3898 12.3898 12.6121 12.6121 12.6367 12.6367 12.7162 12.7162 14.5981 14.5981 15.0212 15.0212 15.2842 15.2842 15.5797 15.5797 k = 0.4118-0.0000 0.5697 ( 4510 PWs) bands (ev): -42.7536 -42.7536 -42.7108 -42.7108 -19.4958 -19.4958 -19.4246 -19.4246 -18.9211 -18.9211 -18.8294 -18.8294 -18.6689 -18.6689 -18.5991 -18.5991 9.2220 9.2220 9.9338 9.9338 10.1644 10.1644 10.5939 10.5939 10.9040 10.9040 10.9350 10.9350 11.4987 11.4987 11.5346 11.5346 11.7801 11.7801 11.7866 11.7866 12.4124 12.4124 12.6072 12.6072 12.6490 12.6490 12.7163 12.7163 14.5969 14.5969 14.9596 14.9596 15.3008 15.3008 15.5608 15.5608 k = 0.4265-0.0000 0.5697 ( 4508 PWs) bands (ev): -42.7501 -42.7501 -42.7143 -42.7143 -19.4885 -19.4885 -19.4289 -19.4289 -18.9141 -18.9141 -18.8371 -18.8371 -18.6645 -18.6645 -18.6062 -18.6062 9.2785 9.2785 9.8760 9.8760 10.2056 10.2056 10.5663 10.5663 10.9068 10.9068 10.9318 10.9318 11.4978 11.4978 11.5282 11.5282 11.7801 11.7801 11.7857 11.7857 12.4344 12.4344 12.5994 12.5994 12.6610 12.6610 12.7165 12.7165 14.5991 14.5991 14.9007 14.9007 15.3190 15.3190 15.5396 15.5396 k = 0.4412-0.0000 0.5697 ( 4506 PWs) bands (ev): -42.7466 -42.7466 -42.7179 -42.7179 -19.4813 -19.4813 -19.4335 -19.4335 -18.9069 -18.9069 -18.8449 -18.8449 -18.6598 -18.6598 -18.6131 -18.6131 9.3360 9.3360 9.8165 9.8165 10.2471 10.2471 10.5370 10.5370 10.9095 10.9095 10.9290 10.9290 11.4977 11.4977 11.5222 11.5222 11.7803 11.7803 11.7849 11.7849 12.4557 12.4557 12.5893 12.5893 12.6723 12.6723 12.7164 12.7164 14.6052 14.6052 14.8459 14.8459 15.3386 15.3386 15.5174 15.5174 k = 0.4559-0.0000 0.5697 ( 4508 PWs) bands (ev): -42.7430 -42.7430 -42.7214 -42.7214 -19.4744 -19.4744 -19.4385 -19.4385 -18.8995 -18.8995 -18.8528 -18.8528 -18.6548 -18.6548 -18.6198 -18.6198 9.3944 9.3944 9.7561 9.7561 10.2879 10.2879 10.5061 10.5061 10.9120 10.9120 10.9263 10.9263 11.4984 11.4984 11.5169 11.5169 11.7806 11.7806 11.7841 11.7841 12.4763 12.4763 12.5773 12.5773 12.6825 12.6825 12.7155 12.7155 14.6159 14.6159 14.7959 14.7959 15.3593 15.3593 15.4948 15.4948 k = 0.4706-0.0000 0.5697 ( 4508 PWs) bands (ev): -42.7394 -42.7394 -42.7250 -42.7250 -19.4677 -19.4677 -19.4437 -19.4437 -18.8920 -18.8920 -18.8607 -18.8607 -18.6496 -18.6496 -18.6263 -18.6263 9.4536 9.4536 9.6953 9.6953 10.3278 10.3278 10.4735 10.4735 10.9144 10.9144 10.9238 10.9238 11.4997 11.4997 11.5121 11.5121 11.7810 11.7810 11.7833 11.7833 12.4959 12.4959 12.5637 12.5637 12.6915 12.6915 12.7135 12.7135 14.6316 14.6316 14.7514 14.7514 15.3809 15.3809 15.4718 15.4718 k = 0.4853-0.0000 0.5697 ( 4498 PWs) bands (ev): -42.7358 -42.7358 -42.7286 -42.7286 -19.4613 -19.4613 -19.4493 -19.4493 -18.8843 -18.8843 -18.8686 -18.8686 -18.6442 -18.6442 -18.6325 -18.6325 9.5134 9.5134 9.6345 9.6345 10.3664 10.3664 10.4394 10.4394 10.9168 10.9168 10.9214 10.9214 11.5018 11.5018 11.5080 11.5080 11.7815 11.7815 11.7827 11.7827 12.5146 12.5146 12.5486 12.5486 12.6992 12.6992 12.7102 12.7102 14.6528 14.6528 14.7126 14.7126 15.4032 15.4032 15.4488 15.4488 k = 0.5000-0.0000 0.5697 ( 4496 PWs) bands (ev): -42.7322 -42.7322 -42.7322 -42.7322 -19.4552 -19.4552 -19.4552 -19.4552 -18.8765 -18.8765 -18.8765 -18.8765 -18.6385 -18.6385 -18.6385 -18.6385 9.5738 9.5738 9.5738 9.5738 10.4036 10.4036 10.4036 10.4036 10.9191 10.9191 10.9191 10.9191 11.5046 11.5046 11.5046 11.5046 11.7820 11.7820 11.7820 11.7820 12.5322 12.5322 12.5322 12.5322 12.7054 12.7054 12.7054 12.7054 14.6798 14.6798 14.6798 14.6798 15.4259 15.4259 15.4259 15.4259 Writing output data file TiNi.save init_run : 0.15s CPU 0.28s WALL ( 1 calls) electrons : 306.40s CPU 310.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 306.39s CPU 310.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 373 calls) cegterg : 294.70s CPU 298.59s WALL ( 757 calls) Called by sum_band: Called by *egterg: h_psi : 162.76s CPU 165.51s WALL ( 13307 calls) s_psi : 6.94s CPU 7.05s WALL ( 13307 calls) g_psi : 0.53s CPU 0.54s WALL ( 12177 calls) cdiaghg : 96.18s CPU 97.06s WALL ( 12550 calls) cegterg:over : 13.52s CPU 13.82s WALL ( 12177 calls) cegterg:upda : 11.12s CPU 11.14s WALL ( 12177 calls) cegterg:last : 7.15s CPU 7.12s WALL ( 2528 calls) cdiaghg:chol : 5.66s CPU 5.52s WALL ( 12550 calls) cdiaghg:inve : 3.61s CPU 3.68s WALL ( 12550 calls) cdiaghg:para : 6.14s CPU 5.85s WALL ( 25100 calls) Called by h_psi: h_psi:vloc : 139.02s CPU 141.28s WALL ( 13307 calls) h_psi:vnl : 23.21s CPU 23.71s WALL ( 13307 calls) add_vuspsi : 12.35s CPU 12.25s WALL ( 13307 calls) General routines calbec : 10.82s CPU 11.43s WALL ( 13307 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 131.23s CPU 133.60s WALL ( 1603908 calls) davcio : 0.20s CPU 0.28s WALL ( 746 calls) Parallel routines fft_scatter : 50.56s CPU 51.49s WALL ( 1603923 calls) PWSCF : 5m25.17s CPU 5m43.67s WALL This run was terminated on: 21: 3:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=