Program PWSCF v.5.1.1 starts on 16Jul2015 at 17:52:25 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./TiI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 225 80 22 14079 3040 444 Max 227 81 23 14080 3061 449 Sum 7219 2587 733 450543 97675 14297 bravais-lattice index = 14 lattice parameter (alat) = 13.4666 a.u. unit-cell volume = 1929.8786 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.466637 celldm(2)= 1.000000 celldm(3)= 0.911900 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.499051 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.499051 0.866573 0.000000 ) a(3) = ( 0.000000 0.000000 0.911900 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.575890 -0.000000 ) b(2) = ( 0.000000 1.153971 -0.000000 ) b(3) = ( 0.000000 0.000000 1.096611 ) PseudoPot. # 1 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0111182 0.0192329 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0222363 0.0384657 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0333544 0.0576986 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0444726 0.0769314 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0555907 0.0961643 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0667089 0.1153971 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0778270 0.1346300 -0.0000000), wk = 0.0035211 k( 9) = ( 0.0889452 0.1538628 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1000633 0.1730957 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1111815 0.1923285 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1222996 0.2115614 -0.0000000), wk = 0.0035211 k( 13) = ( 0.1334178 0.2307942 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1445359 0.2500271 -0.0000000), wk = 0.0035211 k( 15) = ( 0.1556541 0.2692599 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1667722 0.2884928 -0.0000000), wk = 0.0035211 k( 17) = ( 0.1778904 0.3077256 -0.0000000), wk = 0.0035211 k( 18) = ( 0.1890085 0.3269585 -0.0000000), wk = 0.0035211 k( 19) = ( 0.2001267 0.3461913 -0.0000000), wk = 0.0035211 k( 20) = ( 0.2112448 0.3654242 -0.0000000), wk = 0.0035211 k( 21) = ( 0.2223630 0.3846570 -0.0000000), wk = 0.0035211 k( 22) = ( 0.2334811 0.4038899 -0.0000000), wk = 0.0035211 k( 23) = ( 0.2445992 0.4231228 -0.0000000), wk = 0.0035211 k( 24) = ( 0.2557174 0.4423556 -0.0000000), wk = 0.0035211 k( 25) = ( 0.2668355 0.4615884 -0.0000000), wk = 0.0035211 k( 26) = ( 0.2779537 0.4808213 -0.0000000), wk = 0.0035211 k( 27) = ( 0.2890718 0.5000542 -0.0000000), wk = 0.0035211 k( 28) = ( 0.3001900 0.5192870 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3113081 0.5385199 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3224263 0.5577527 -0.0000000), wk = 0.0035211 k( 31) = ( 0.3335444 0.5769856 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3335444 0.5769856 -0.0000000), wk = 0.0035211 k( 33) = ( 0.3113081 0.5769856 -0.0000000), wk = 0.0035211 k( 34) = ( 0.2890718 0.5769856 -0.0000000), wk = 0.0035211 k( 35) = ( 0.2668355 0.5769856 -0.0000000), wk = 0.0035211 k( 36) = ( 0.2445992 0.5769856 -0.0000000), wk = 0.0035211 k( 37) = ( 0.2223630 0.5769856 -0.0000000), wk = 0.0035211 k( 38) = ( 0.2001267 0.5769856 -0.0000000), wk = 0.0035211 k( 39) = ( 0.1778904 0.5769856 -0.0000000), wk = 0.0035211 k( 40) = ( 0.1556541 0.5769856 -0.0000000), wk = 0.0035211 k( 41) = ( 0.1334178 0.5769856 -0.0000000), wk = 0.0035211 k( 42) = ( 0.1111815 0.5769856 -0.0000000), wk = 0.0035211 k( 43) = ( 0.0889452 0.5769856 -0.0000000), wk = 0.0035211 k( 44) = ( 0.0667089 0.5769856 -0.0000000), wk = 0.0035211 k( 45) = ( 0.0444726 0.5769856 -0.0000000), wk = 0.0035211 k( 46) = ( 0.0222363 0.5769856 -0.0000000), wk = 0.0035211 k( 47) = ( 0.0000000 0.5769856 -0.0000000), wk = 0.0035211 k( 48) = ( 0.0000000 0.5769856 -0.0000000), wk = 0.0035211 k( 49) = ( 0.0000000 0.5769856 0.0219322), wk = 0.0035211 k( 50) = ( 0.0000000 0.5769856 0.0438644), wk = 0.0035211 k( 51) = ( 0.0000000 0.5769856 0.0657967), wk = 0.0035211 k( 52) = ( 0.0000000 0.5769856 0.0877289), wk = 0.0035211 k( 53) = ( 0.0000000 0.5769856 0.1096611), wk = 0.0035211 k( 54) = ( 0.0000000 0.5769856 0.1315933), wk = 0.0035211 k( 55) = ( 0.0000000 0.5769856 0.1535255), wk = 0.0035211 k( 56) = ( 0.0000000 0.5769856 0.1754577), wk = 0.0035211 k( 57) = ( 0.0000000 0.5769856 0.1973900), wk = 0.0035211 k( 58) = ( 0.0000000 0.5769856 0.2193222), wk = 0.0035211 k( 59) = ( 0.0000000 0.5769856 0.2412544), wk = 0.0035211 k( 60) = ( 0.0000000 0.5769856 0.2631866), wk = 0.0035211 k( 61) = ( 0.0000000 0.5769856 0.2851188), wk = 0.0035211 k( 62) = ( 0.0000000 0.5769856 0.3070510), wk = 0.0035211 k( 63) = ( 0.0000000 0.5769856 0.3289833), wk = 0.0035211 k( 64) = ( 0.0000000 0.5769856 0.3509155), wk = 0.0035211 k( 65) = ( 0.0000000 0.5769856 0.3728477), wk = 0.0035211 k( 66) = ( 0.0000000 0.5769856 0.3947799), wk = 0.0035211 k( 67) = ( 0.0000000 0.5769856 0.4167121), wk = 0.0035211 k( 68) = ( 0.0000000 0.5769856 0.4386444), wk = 0.0035211 k( 69) = ( 0.0000000 0.5769856 0.4605766), wk = 0.0035211 k( 70) = ( 0.0000000 0.5769856 0.4825088), wk = 0.0035211 k( 71) = ( 0.0000000 0.5769856 0.5044410), wk = 0.0035211 k( 72) = ( 0.0000000 0.5769856 0.5263732), wk = 0.0035211 k( 73) = ( 0.0000000 0.5769856 0.5483054), wk = 0.0035211 k( 74) = ( 0.0000000 0.5769856 0.5483054), wk = 0.0035211 k( 75) = ( 0.0222363 0.5769856 0.5483054), wk = 0.0035211 k( 76) = ( 0.0444726 0.5769856 0.5483054), wk = 0.0035211 k( 77) = ( 0.0667089 0.5769856 0.5483054), wk = 0.0035211 k( 78) = ( 0.0889452 0.5769856 0.5483054), wk = 0.0035211 k( 79) = ( 0.1111815 0.5769856 0.5483054), wk = 0.0035211 k( 80) = ( 0.1334178 0.5769856 0.5483054), wk = 0.0035211 k( 81) = ( 0.1556541 0.5769856 0.5483054), wk = 0.0035211 k( 82) = ( 0.1778904 0.5769856 0.5483054), wk = 0.0035211 k( 83) = ( 0.2001267 0.5769856 0.5483054), wk = 0.0035211 k( 84) = ( 0.2223630 0.5769856 0.5483054), wk = 0.0035211 k( 85) = ( 0.2445992 0.5769856 0.5483054), wk = 0.0035211 k( 86) = ( 0.2668355 0.5769856 0.5483054), wk = 0.0035211 k( 87) = ( 0.2890718 0.5769856 0.5483054), wk = 0.0035211 k( 88) = ( 0.3113081 0.5769856 0.5483054), wk = 0.0035211 k( 89) = ( 0.3335444 0.5769856 0.5483054), wk = 0.0035211 k( 90) = ( 0.3335444 0.5769856 0.5483054), wk = 0.0035211 k( 91) = ( 0.3224263 0.5577527 0.5483054), wk = 0.0035211 k( 92) = ( 0.3113081 0.5385199 0.5483054), wk = 0.0035211 k( 93) = ( 0.3001900 0.5192870 0.5483054), wk = 0.0035211 k( 94) = ( 0.2890718 0.5000542 0.5483054), wk = 0.0035211 k( 95) = ( 0.2779537 0.4808213 0.5483054), wk = 0.0035211 k( 96) = ( 0.2668355 0.4615884 0.5483054), wk = 0.0035211 k( 97) = ( 0.2557174 0.4423556 0.5483054), wk = 0.0035211 k( 98) = ( 0.2445992 0.4231228 0.5483054), wk = 0.0035211 k( 99) = ( 0.2334811 0.4038899 0.5483054), wk = 0.0035211 k( 100) = ( 0.2223630 0.3846570 0.5483054), wk = 0.0035211 k( 101) = ( 0.2112448 0.3654242 0.5483054), wk = 0.0035211 k( 102) = ( 0.2001267 0.3461913 0.5483054), wk = 0.0035211 k( 103) = ( 0.1890085 0.3269585 0.5483054), wk = 0.0035211 k( 104) = ( 0.1778904 0.3077256 0.5483054), wk = 0.0035211 k( 105) = ( 0.1667722 0.2884928 0.5483054), wk = 0.0035211 k( 106) = ( 0.1556541 0.2692599 0.5483054), wk = 0.0035211 k( 107) = ( 0.1445359 0.2500271 0.5483054), wk = 0.0035211 k( 108) = ( 0.1334178 0.2307942 0.5483054), wk = 0.0035211 k( 109) = ( 0.1222996 0.2115614 0.5483054), wk = 0.0035211 k( 110) = ( 0.1111815 0.1923285 0.5483054), wk = 0.0035211 k( 111) = ( 0.1000633 0.1730957 0.5483054), wk = 0.0035211 k( 112) = ( 0.0889452 0.1538628 0.5483054), wk = 0.0035211 k( 113) = ( 0.0778270 0.1346300 0.5483054), wk = 0.0035211 k( 114) = ( 0.0667089 0.1153971 0.5483054), wk = 0.0035211 k( 115) = ( 0.0555907 0.0961643 0.5483054), wk = 0.0035211 k( 116) = ( 0.0444726 0.0769314 0.5483054), wk = 0.0035211 k( 117) = ( 0.0333544 0.0576986 0.5483054), wk = 0.0035211 k( 118) = ( 0.0222363 0.0384657 0.5483054), wk = 0.0035211 k( 119) = ( 0.0111182 0.0192329 0.5483054), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.5483054), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.5483054), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.5263732), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.5044410), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.4825088), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.4605766), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.4386444), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.4167121), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.3947799), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.3728477), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.3509155), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.3289833), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.3070510), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.2851188), wk = 0.0035211 k( 134) = ( 0.0000000 0.0000000 0.2631866), wk = 0.0035211 k( 135) = ( 0.0000000 0.0000000 0.2412544), wk = 0.0035211 k( 136) = ( 0.0000000 0.0000000 0.2193222), wk = 0.0035211 k( 137) = ( 0.0000000 0.0000000 0.1973900), wk = 0.0035211 k( 138) = ( 0.0000000 0.0000000 0.1754577), wk = 0.0035211 k( 139) = ( 0.0000000 0.0000000 0.1535255), wk = 0.0035211 k( 140) = ( 0.0000000 0.0000000 0.1315933), wk = 0.0035211 k( 141) = ( 0.0000000 0.0000000 0.1096611), wk = 0.0035211 k( 142) = ( 0.0000000 0.0000000 0.0877289), wk = 0.0035211 k( 143) = ( 0.0000000 0.0000000 0.0657967), wk = 0.0035211 k( 144) = ( 0.0000000 0.0000000 0.0438644), wk = 0.0035211 k( 145) = ( 0.0000000 0.0000000 0.0219322), wk = 0.0035211 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 148) = ( -0.0192308 0.0111169 0.0000000), wk = 0.0035211 k( 149) = ( -0.0384615 0.0222339 0.0000000), wk = 0.0035211 k( 150) = ( -0.0576923 0.0333508 0.0000000), wk = 0.0035211 k( 151) = ( -0.0769231 0.0444678 0.0000000), wk = 0.0035211 k( 152) = ( -0.0961538 0.0555847 0.0000000), wk = 0.0035211 k( 153) = ( -0.1153846 0.0667017 0.0000000), wk = 0.0035211 k( 154) = ( -0.1346154 0.0778186 0.0000000), wk = 0.0035211 k( 155) = ( -0.1538461 0.0889355 0.0000000), wk = 0.0035211 k( 156) = ( -0.1730769 0.1000525 0.0000000), wk = 0.0035211 k( 157) = ( -0.1923077 0.1111694 0.0000000), wk = 0.0035211 k( 158) = ( -0.2115385 0.1222864 0.0000000), wk = 0.0035211 k( 159) = ( -0.2307692 0.1334033 0.0000000), wk = 0.0035211 k( 160) = ( -0.2500000 0.1445203 0.0000000), wk = 0.0035211 k( 161) = ( -0.2692308 0.1556372 0.0000000), wk = 0.0035211 k( 162) = ( -0.2884615 0.1667542 0.0000000), wk = 0.0035211 k( 163) = ( -0.3076923 0.1778711 0.0000000), wk = 0.0035211 k( 164) = ( -0.3269231 0.1889880 0.0000000), wk = 0.0035211 k( 165) = ( -0.3461538 0.2001050 0.0000000), wk = 0.0035211 k( 166) = ( -0.3653846 0.2112219 0.0000000), wk = 0.0035211 k( 167) = ( -0.3846154 0.2223389 0.0000000), wk = 0.0035211 k( 168) = ( -0.4038462 0.2334558 0.0000000), wk = 0.0035211 k( 169) = ( -0.4230769 0.2445728 0.0000000), wk = 0.0035211 k( 170) = ( -0.4423077 0.2556897 0.0000000), wk = 0.0035211 k( 171) = ( -0.4615385 0.2668066 0.0000000), wk = 0.0035211 k( 172) = ( -0.4807692 0.2779236 0.0000000), wk = 0.0035211 k( 173) = ( -0.5000000 0.2890405 0.0000000), wk = 0.0035211 k( 174) = ( -0.5000000 0.2890405 0.0000000), wk = 0.0035211 k( 175) = ( -0.4889030 0.3082369 -0.0000000), wk = 0.0035211 k( 176) = ( -0.4778059 0.3274332 -0.0000000), wk = 0.0035211 k( 177) = ( -0.4667089 0.3466295 -0.0000000), wk = 0.0035211 k( 178) = ( -0.4556118 0.3658259 -0.0000000), wk = 0.0035211 k( 179) = ( -0.4445148 0.3850222 -0.0000000), wk = 0.0035211 k( 180) = ( -0.4334178 0.4042185 -0.0000000), wk = 0.0035211 k( 181) = ( -0.4223207 0.4234149 -0.0000000), wk = 0.0035211 k( 182) = ( -0.4112237 0.4426112 -0.0000000), wk = 0.0035211 k( 183) = ( -0.4001267 0.4618075 -0.0000000), wk = 0.0035211 k( 184) = ( -0.3890296 0.4810039 -0.0000000), wk = 0.0035211 k( 185) = ( -0.3779326 0.5002002 -0.0000000), wk = 0.0035211 k( 186) = ( -0.3668355 0.5193966 -0.0000000), wk = 0.0035211 k( 187) = ( -0.3557385 0.5385929 -0.0000000), wk = 0.0035211 k( 188) = ( -0.3446415 0.5577892 -0.0000000), wk = 0.0035211 k( 189) = ( -0.3335444 0.5769856 -0.0000000), wk = 0.0035211 k( 190) = ( -0.3335444 0.5769856 -0.0000000), wk = 0.0035211 k( 191) = ( -0.3335444 0.5769856 0.0219322), wk = 0.0035211 k( 192) = ( -0.3335444 0.5769856 0.0438644), wk = 0.0035211 k( 193) = ( -0.3335444 0.5769856 0.0657967), wk = 0.0035211 k( 194) = ( -0.3335444 0.5769856 0.0877289), wk = 0.0035211 k( 195) = ( -0.3335444 0.5769856 0.1096611), wk = 0.0035211 k( 196) = ( -0.3335444 0.5769856 0.1315933), wk = 0.0035211 k( 197) = ( -0.3335444 0.5769856 0.1535255), wk = 0.0035211 k( 198) = ( -0.3335444 0.5769856 0.1754577), wk = 0.0035211 k( 199) = ( -0.3335444 0.5769856 0.1973900), wk = 0.0035211 k( 200) = ( -0.3335444 0.5769856 0.2193222), wk = 0.0035211 k( 201) = ( -0.3335444 0.5769856 0.2412544), wk = 0.0035211 k( 202) = ( -0.3335444 0.5769856 0.2631866), wk = 0.0035211 k( 203) = ( -0.3335444 0.5769856 0.2851188), wk = 0.0035211 k( 204) = ( -0.3335444 0.5769856 0.3070510), wk = 0.0035211 k( 205) = ( -0.3335444 0.5769856 0.3289833), wk = 0.0035211 k( 206) = ( -0.3335444 0.5769856 0.3509155), wk = 0.0035211 k( 207) = ( -0.3335444 0.5769856 0.3728477), wk = 0.0035211 k( 208) = ( -0.3335444 0.5769856 0.3947799), wk = 0.0035211 k( 209) = ( -0.3335444 0.5769856 0.4167121), wk = 0.0035211 k( 210) = ( -0.3335444 0.5769856 0.4386444), wk = 0.0035211 k( 211) = ( -0.3335444 0.5769856 0.4605766), wk = 0.0035211 k( 212) = ( -0.3335444 0.5769856 0.4825088), wk = 0.0035211 k( 213) = ( -0.3335444 0.5769856 0.5044410), wk = 0.0035211 k( 214) = ( -0.3335444 0.5769856 0.5263732), wk = 0.0035211 k( 215) = ( -0.3335444 0.5769856 0.5483054), wk = 0.0035211 k( 216) = ( -0.3335444 0.5769856 0.5483054), wk = 0.0035211 k( 217) = ( -0.3446415 0.5577892 0.5483054), wk = 0.0035211 k( 218) = ( -0.3557385 0.5385929 0.5483054), wk = 0.0035211 k( 219) = ( -0.3668355 0.5193966 0.5483054), wk = 0.0035211 k( 220) = ( -0.3779326 0.5002002 0.5483054), wk = 0.0035211 k( 221) = ( -0.3890296 0.4810039 0.5483054), wk = 0.0035211 k( 222) = ( -0.4001267 0.4618075 0.5483054), wk = 0.0035211 k( 223) = ( -0.4112237 0.4426112 0.5483054), wk = 0.0035211 k( 224) = ( -0.4223207 0.4234149 0.5483054), wk = 0.0035211 k( 225) = ( -0.4334178 0.4042185 0.5483054), wk = 0.0035211 k( 226) = ( -0.4445148 0.3850222 0.5483054), wk = 0.0035211 k( 227) = ( -0.4556118 0.3658259 0.5483054), wk = 0.0035211 k( 228) = ( -0.4667089 0.3466295 0.5483054), wk = 0.0035211 k( 229) = ( -0.4778059 0.3274332 0.5483054), wk = 0.0035211 k( 230) = ( -0.4889030 0.3082369 0.5483054), wk = 0.0035211 k( 231) = ( -0.5000000 0.2890405 0.5483054), wk = 0.0035211 k( 232) = ( -0.5000000 0.2890405 0.5483054), wk = 0.0035211 k( 233) = ( -0.5000000 0.2890405 0.5263732), wk = 0.0035211 k( 234) = ( -0.5000000 0.2890405 0.5044410), wk = 0.0035211 k( 235) = ( -0.5000000 0.2890405 0.4825088), wk = 0.0035211 k( 236) = ( -0.5000000 0.2890405 0.4605766), wk = 0.0035211 k( 237) = ( -0.5000000 0.2890405 0.4386444), wk = 0.0035211 k( 238) = ( -0.5000000 0.2890405 0.4167121), wk = 0.0035211 k( 239) = ( -0.5000000 0.2890405 0.3947799), wk = 0.0035211 k( 240) = ( -0.5000000 0.2890405 0.3728477), wk = 0.0035211 k( 241) = ( -0.5000000 0.2890405 0.3509155), wk = 0.0035211 k( 242) = ( -0.5000000 0.2890405 0.3289833), wk = 0.0035211 k( 243) = ( -0.5000000 0.2890405 0.3070510), wk = 0.0035211 k( 244) = ( -0.5000000 0.2890405 0.2851188), wk = 0.0035211 k( 245) = ( -0.5000000 0.2890405 0.2631866), wk = 0.0035211 k( 246) = ( -0.5000000 0.2890405 0.2412544), wk = 0.0035211 k( 247) = ( -0.5000000 0.2890405 0.2193222), wk = 0.0035211 k( 248) = ( -0.5000000 0.2890405 0.1973900), wk = 0.0035211 k( 249) = ( -0.5000000 0.2890405 0.1754577), wk = 0.0035211 k( 250) = ( -0.5000000 0.2890405 0.1535255), wk = 0.0035211 k( 251) = ( -0.5000000 0.2890405 0.1315933), wk = 0.0035211 k( 252) = ( -0.5000000 0.2890405 0.1096611), wk = 0.0035211 k( 253) = ( -0.5000000 0.2890405 0.0877289), wk = 0.0035211 k( 254) = ( -0.5000000 0.2890405 0.0657967), wk = 0.0035211 k( 255) = ( -0.5000000 0.2890405 0.0438644), wk = 0.0035211 k( 256) = ( -0.5000000 0.2890405 0.0219322), wk = 0.0035211 k( 257) = ( -0.5000000 0.2890405 0.0000000), wk = 0.0035211 k( 258) = ( 0.0000000 0.0000000 0.5483054), wk = 0.0035211 k( 259) = ( -0.0192308 0.0111169 0.5483054), wk = 0.0035211 k( 260) = ( -0.0384615 0.0222339 0.5483054), wk = 0.0035211 k( 261) = ( -0.0576923 0.0333508 0.5483054), wk = 0.0035211 k( 262) = ( -0.0769231 0.0444678 0.5483054), wk = 0.0035211 k( 263) = ( -0.0961538 0.0555847 0.5483054), wk = 0.0035211 k( 264) = ( -0.1153846 0.0667017 0.5483054), wk = 0.0035211 k( 265) = ( -0.1346154 0.0778186 0.5483054), wk = 0.0035211 k( 266) = ( -0.1538461 0.0889355 0.5483054), wk = 0.0035211 k( 267) = ( -0.1730769 0.1000525 0.5483054), wk = 0.0035211 k( 268) = ( -0.1923077 0.1111694 0.5483054), wk = 0.0035211 k( 269) = ( -0.2115385 0.1222864 0.5483054), wk = 0.0035211 k( 270) = ( -0.2307692 0.1334033 0.5483054), wk = 0.0035211 k( 271) = ( -0.2500000 0.1445203 0.5483054), wk = 0.0035211 k( 272) = ( -0.2692308 0.1556372 0.5483054), wk = 0.0035211 k( 273) = ( -0.2884615 0.1667542 0.5483054), wk = 0.0035211 k( 274) = ( -0.3076923 0.1778711 0.5483054), wk = 0.0035211 k( 275) = ( -0.3269231 0.1889880 0.5483054), wk = 0.0035211 k( 276) = ( -0.3461538 0.2001050 0.5483054), wk = 0.0035211 k( 277) = ( -0.3653846 0.2112219 0.5483054), wk = 0.0035211 k( 278) = ( -0.3846154 0.2223389 0.5483054), wk = 0.0035211 k( 279) = ( -0.4038462 0.2334558 0.5483054), wk = 0.0035211 k( 280) = ( -0.4230769 0.2445728 0.5483054), wk = 0.0035211 k( 281) = ( -0.4423077 0.2556897 0.5483054), wk = 0.0035211 k( 282) = ( -0.4615385 0.2668066 0.5483054), wk = 0.0035211 k( 283) = ( -0.4807692 0.2779236 0.5483054), wk = 0.0035211 k( 284) = ( -0.5000000 0.2890405 0.5483054), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0111182 0.0111181 0.0000000), wk = 0.0035211 k( 3) = ( 0.0222363 0.0222363 0.0000000), wk = 0.0035211 k( 4) = ( 0.0333544 0.0333544 0.0000000), wk = 0.0035211 k( 5) = ( 0.0444726 0.0444726 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0555907 0.0555907 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0667089 0.0667089 0.0000000), wk = 0.0035211 k( 8) = ( 0.0778270 0.0778270 0.0000000), wk = 0.0035211 k( 9) = ( 0.0889452 0.0889452 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1000633 0.1000633 0.0000000), wk = 0.0035211 k( 11) = ( 0.1111815 0.1111815 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1222996 0.1222996 0.0000000), wk = 0.0035211 k( 13) = ( 0.1334178 0.1334178 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1445359 0.1445359 0.0000000), wk = 0.0035211 k( 15) = ( 0.1556541 0.1556541 0.0000000), wk = 0.0035211 k( 16) = ( 0.1667722 0.1667722 0.0000000), wk = 0.0035211 k( 17) = ( 0.1778904 0.1778904 -0.0000000), wk = 0.0035211 k( 18) = ( 0.1890085 0.1890085 0.0000000), wk = 0.0035211 k( 19) = ( 0.2001267 0.2001267 0.0000000), wk = 0.0035211 k( 20) = ( 0.2112448 0.2112448 0.0000000), wk = 0.0035211 k( 21) = ( 0.2223630 0.2223630 0.0000000), wk = 0.0035211 k( 22) = ( 0.2334811 0.2334811 0.0000000), wk = 0.0035211 k( 23) = ( 0.2445992 0.2445993 0.0000000), wk = 0.0035211 k( 24) = ( 0.2557174 0.2557174 -0.0000000), wk = 0.0035211 k( 25) = ( 0.2668355 0.2668355 -0.0000000), wk = 0.0035211 k( 26) = ( 0.2779537 0.2779537 0.0000000), wk = 0.0035211 k( 27) = ( 0.2890718 0.2890718 0.0000000), wk = 0.0035211 k( 28) = ( 0.3001900 0.3001900 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3113081 0.3113081 0.0000000), wk = 0.0035211 k( 30) = ( 0.3224263 0.3224263 0.0000000), wk = 0.0035211 k( 31) = ( 0.3335444 0.3335444 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3335444 0.3335444 -0.0000000), wk = 0.0035211 k( 33) = ( 0.3113081 0.3446415 0.0000000), wk = 0.0035211 k( 34) = ( 0.2890718 0.3557385 0.0000000), wk = 0.0035211 k( 35) = ( 0.2668355 0.3668355 -0.0000000), wk = 0.0035211 k( 36) = ( 0.2445992 0.3779326 -0.0000000), wk = 0.0035211 k( 37) = ( 0.2223630 0.3890296 0.0000000), wk = 0.0035211 k( 38) = ( 0.2001267 0.4001267 -0.0000000), wk = 0.0035211 k( 39) = ( 0.1778904 0.4112237 -0.0000000), wk = 0.0035211 k( 40) = ( 0.1556541 0.4223207 -0.0000000), wk = 0.0035211 k( 41) = ( 0.1334178 0.4334178 0.0000000), wk = 0.0035211 k( 42) = ( 0.1111815 0.4445148 0.0000000), wk = 0.0035211 k( 43) = ( 0.0889452 0.4556118 0.0000000), wk = 0.0035211 k( 44) = ( 0.0667089 0.4667089 -0.0000000), wk = 0.0035211 k( 45) = ( 0.0444726 0.4778059 -0.0000000), wk = 0.0035211 k( 46) = ( 0.0222363 0.4889030 -0.0000000), wk = 0.0035211 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 48) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035211 k( 49) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0035211 k( 50) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0035211 k( 51) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0035211 k( 52) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0035211 k( 53) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0035211 k( 54) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0035211 k( 55) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0035211 k( 56) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0035211 k( 57) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0035211 k( 58) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0035211 k( 59) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0035211 k( 60) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0035211 k( 61) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0035211 k( 62) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0035211 k( 63) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0035211 k( 64) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0035211 k( 65) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0035211 k( 66) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0035211 k( 67) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0035211 k( 68) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0035211 k( 69) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0035211 k( 70) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0035211 k( 71) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0035211 k( 72) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0035211 k( 73) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035211 k( 74) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035211 k( 75) = ( 0.0222363 0.4889030 0.5000000), wk = 0.0035211 k( 76) = ( 0.0444726 0.4778059 0.5000000), wk = 0.0035211 k( 77) = ( 0.0667089 0.4667089 0.5000000), wk = 0.0035211 k( 78) = ( 0.0889452 0.4556118 0.5000000), wk = 0.0035211 k( 79) = ( 0.1111815 0.4445148 0.5000000), wk = 0.0035211 k( 80) = ( 0.1334178 0.4334178 0.5000000), wk = 0.0035211 k( 81) = ( 0.1556541 0.4223207 0.5000000), wk = 0.0035211 k( 82) = ( 0.1778904 0.4112237 0.5000000), wk = 0.0035211 k( 83) = ( 0.2001267 0.4001267 0.5000000), wk = 0.0035211 k( 84) = ( 0.2223630 0.3890296 0.5000000), wk = 0.0035211 k( 85) = ( 0.2445992 0.3779326 0.5000000), wk = 0.0035211 k( 86) = ( 0.2668355 0.3668355 0.5000000), wk = 0.0035211 k( 87) = ( 0.2890718 0.3557385 0.5000000), wk = 0.0035211 k( 88) = ( 0.3113081 0.3446415 0.5000000), wk = 0.0035211 k( 89) = ( 0.3335444 0.3335444 0.5000000), wk = 0.0035211 k( 90) = ( 0.3335444 0.3335444 0.5000000), wk = 0.0035211 k( 91) = ( 0.3224263 0.3224263 0.5000000), wk = 0.0035211 k( 92) = ( 0.3113081 0.3113081 0.5000000), wk = 0.0035211 k( 93) = ( 0.3001900 0.3001900 0.5000000), wk = 0.0035211 k( 94) = ( 0.2890718 0.2890718 0.5000000), wk = 0.0035211 k( 95) = ( 0.2779537 0.2779537 0.5000000), wk = 0.0035211 k( 96) = ( 0.2668355 0.2668355 0.5000000), wk = 0.0035211 k( 97) = ( 0.2557174 0.2557174 0.5000000), wk = 0.0035211 k( 98) = ( 0.2445992 0.2445993 0.5000000), wk = 0.0035211 k( 99) = ( 0.2334811 0.2334811 0.5000000), wk = 0.0035211 k( 100) = ( 0.2223630 0.2223630 0.5000000), wk = 0.0035211 k( 101) = ( 0.2112448 0.2112448 0.5000000), wk = 0.0035211 k( 102) = ( 0.2001267 0.2001267 0.5000000), wk = 0.0035211 k( 103) = ( 0.1890085 0.1890085 0.5000000), wk = 0.0035211 k( 104) = ( 0.1778904 0.1778904 0.5000000), wk = 0.0035211 k( 105) = ( 0.1667722 0.1667722 0.5000000), wk = 0.0035211 k( 106) = ( 0.1556541 0.1556541 0.5000000), wk = 0.0035211 k( 107) = ( 0.1445359 0.1445359 0.5000000), wk = 0.0035211 k( 108) = ( 0.1334178 0.1334178 0.5000000), wk = 0.0035211 k( 109) = ( 0.1222996 0.1222996 0.5000000), wk = 0.0035211 k( 110) = ( 0.1111815 0.1111815 0.5000000), wk = 0.0035211 k( 111) = ( 0.1000633 0.1000633 0.5000000), wk = 0.0035211 k( 112) = ( 0.0889452 0.0889452 0.5000000), wk = 0.0035211 k( 113) = ( 0.0778270 0.0778270 0.5000000), wk = 0.0035211 k( 114) = ( 0.0667089 0.0667089 0.5000000), wk = 0.0035211 k( 115) = ( 0.0555907 0.0555907 0.5000000), wk = 0.0035211 k( 116) = ( 0.0444726 0.0444726 0.5000000), wk = 0.0035211 k( 117) = ( 0.0333544 0.0333544 0.5000000), wk = 0.0035211 k( 118) = ( 0.0222363 0.0222363 0.5000000), wk = 0.0035211 k( 119) = ( 0.0111182 0.0111181 0.5000000), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0035211 k( 134) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0035211 k( 135) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0035211 k( 136) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035211 k( 137) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0035211 k( 138) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0035211 k( 139) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0035211 k( 140) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0035211 k( 141) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035211 k( 142) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0035211 k( 143) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0035211 k( 144) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0035211 k( 145) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0035211 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 148) = ( -0.0192308 0.0192308 -0.0000000), wk = 0.0035211 k( 149) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0035211 k( 150) = ( -0.0576923 0.0576923 -0.0000000), wk = 0.0035211 k( 151) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0035211 k( 152) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0035211 k( 153) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0035211 k( 154) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0035211 k( 155) = ( -0.1538461 0.1538461 0.0000000), wk = 0.0035211 k( 156) = ( -0.1730769 0.1730769 -0.0000000), wk = 0.0035211 k( 157) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0035211 k( 158) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0035211 k( 159) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0035211 k( 160) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0035211 k( 161) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0035211 k( 162) = ( -0.2884615 0.2884615 -0.0000000), wk = 0.0035211 k( 163) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0035211 k( 164) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0035211 k( 165) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0035211 k( 166) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0035211 k( 167) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0035211 k( 168) = ( -0.4038462 0.4038462 0.0000000), wk = 0.0035211 k( 169) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0035211 k( 170) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0035211 k( 171) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0035211 k( 172) = ( -0.4807692 0.4807692 -0.0000000), wk = 0.0035211 k( 173) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 174) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 175) = ( -0.4889030 0.5110970 0.0000000), wk = 0.0035211 k( 176) = ( -0.4778059 0.5221941 0.0000000), wk = 0.0035211 k( 177) = ( -0.4667089 0.5332911 0.0000000), wk = 0.0035211 k( 178) = ( -0.4556118 0.5443881 -0.0000000), wk = 0.0035211 k( 179) = ( -0.4445148 0.5554852 0.0000000), wk = 0.0035211 k( 180) = ( -0.4334178 0.5665822 -0.0000000), wk = 0.0035211 k( 181) = ( -0.4223207 0.5776793 0.0000000), wk = 0.0035211 k( 182) = ( -0.4112237 0.5887763 0.0000000), wk = 0.0035211 k( 183) = ( -0.4001267 0.5998733 0.0000000), wk = 0.0035211 k( 184) = ( -0.3890296 0.6109704 -0.0000000), wk = 0.0035211 k( 185) = ( -0.3779326 0.6220674 0.0000000), wk = 0.0035211 k( 186) = ( -0.3668355 0.6331645 0.0000000), wk = 0.0035211 k( 187) = ( -0.3557385 0.6442615 -0.0000000), wk = 0.0035211 k( 188) = ( -0.3446415 0.6553585 0.0000000), wk = 0.0035211 k( 189) = ( -0.3335444 0.6664556 0.0000000), wk = 0.0035211 k( 190) = ( -0.3335444 0.6664556 0.0000000), wk = 0.0035211 k( 191) = ( -0.3335444 0.6664556 0.0200000), wk = 0.0035211 k( 192) = ( -0.3335444 0.6664556 0.0400000), wk = 0.0035211 k( 193) = ( -0.3335444 0.6664556 0.0600000), wk = 0.0035211 k( 194) = ( -0.3335444 0.6664556 0.0800000), wk = 0.0035211 k( 195) = ( -0.3335444 0.6664556 0.1000000), wk = 0.0035211 k( 196) = ( -0.3335444 0.6664556 0.1200000), wk = 0.0035211 k( 197) = ( -0.3335444 0.6664556 0.1400000), wk = 0.0035211 k( 198) = ( -0.3335444 0.6664556 0.1600000), wk = 0.0035211 k( 199) = ( -0.3335444 0.6664556 0.1800000), wk = 0.0035211 k( 200) = ( -0.3335444 0.6664556 0.2000000), wk = 0.0035211 k( 201) = ( -0.3335444 0.6664556 0.2200000), wk = 0.0035211 k( 202) = ( -0.3335444 0.6664556 0.2400000), wk = 0.0035211 k( 203) = ( -0.3335444 0.6664556 0.2600000), wk = 0.0035211 k( 204) = ( -0.3335444 0.6664556 0.2800000), wk = 0.0035211 k( 205) = ( -0.3335444 0.6664556 0.3000000), wk = 0.0035211 k( 206) = ( -0.3335444 0.6664556 0.3200000), wk = 0.0035211 k( 207) = ( -0.3335444 0.6664556 0.3400000), wk = 0.0035211 k( 208) = ( -0.3335444 0.6664556 0.3600000), wk = 0.0035211 k( 209) = ( -0.3335444 0.6664556 0.3800000), wk = 0.0035211 k( 210) = ( -0.3335444 0.6664556 0.4000000), wk = 0.0035211 k( 211) = ( -0.3335444 0.6664556 0.4200000), wk = 0.0035211 k( 212) = ( -0.3335444 0.6664556 0.4400000), wk = 0.0035211 k( 213) = ( -0.3335444 0.6664556 0.4600000), wk = 0.0035211 k( 214) = ( -0.3335444 0.6664556 0.4800000), wk = 0.0035211 k( 215) = ( -0.3335444 0.6664556 0.5000000), wk = 0.0035211 k( 216) = ( -0.3335444 0.6664556 0.5000000), wk = 0.0035211 k( 217) = ( -0.3446415 0.6553585 0.5000000), wk = 0.0035211 k( 218) = ( -0.3557385 0.6442615 0.5000000), wk = 0.0035211 k( 219) = ( -0.3668355 0.6331645 0.5000000), wk = 0.0035211 k( 220) = ( -0.3779326 0.6220674 0.5000000), wk = 0.0035211 k( 221) = ( -0.3890296 0.6109704 0.5000000), wk = 0.0035211 k( 222) = ( -0.4001267 0.5998733 0.5000000), wk = 0.0035211 k( 223) = ( -0.4112237 0.5887763 0.5000000), wk = 0.0035211 k( 224) = ( -0.4223207 0.5776793 0.5000000), wk = 0.0035211 k( 225) = ( -0.4334178 0.5665822 0.5000000), wk = 0.0035211 k( 226) = ( -0.4445148 0.5554852 0.5000000), wk = 0.0035211 k( 227) = ( -0.4556118 0.5443881 0.5000000), wk = 0.0035211 k( 228) = ( -0.4667089 0.5332911 0.5000000), wk = 0.0035211 k( 229) = ( -0.4778059 0.5221941 0.5000000), wk = 0.0035211 k( 230) = ( -0.4889030 0.5110970 0.5000000), wk = 0.0035211 k( 231) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 232) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 233) = ( -0.5000000 0.5000000 0.4800000), wk = 0.0035211 k( 234) = ( -0.5000000 0.5000000 0.4600000), wk = 0.0035211 k( 235) = ( -0.5000000 0.5000000 0.4400000), wk = 0.0035211 k( 236) = ( -0.5000000 0.5000000 0.4200000), wk = 0.0035211 k( 237) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0035211 k( 238) = ( -0.5000000 0.5000000 0.3800000), wk = 0.0035211 k( 239) = ( -0.5000000 0.5000000 0.3600000), wk = 0.0035211 k( 240) = ( -0.5000000 0.5000000 0.3400000), wk = 0.0035211 k( 241) = ( -0.5000000 0.5000000 0.3200000), wk = 0.0035211 k( 242) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0035211 k( 243) = ( -0.5000000 0.5000000 0.2800000), wk = 0.0035211 k( 244) = ( -0.5000000 0.5000000 0.2600000), wk = 0.0035211 k( 245) = ( -0.5000000 0.5000000 0.2400000), wk = 0.0035211 k( 246) = ( -0.5000000 0.5000000 0.2200000), wk = 0.0035211 k( 247) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0035211 k( 248) = ( -0.5000000 0.5000000 0.1800000), wk = 0.0035211 k( 249) = ( -0.5000000 0.5000000 0.1600000), wk = 0.0035211 k( 250) = ( -0.5000000 0.5000000 0.1400000), wk = 0.0035211 k( 251) = ( -0.5000000 0.5000000 0.1200000), wk = 0.0035211 k( 252) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0035211 k( 253) = ( -0.5000000 0.5000000 0.0800000), wk = 0.0035211 k( 254) = ( -0.5000000 0.5000000 0.0600000), wk = 0.0035211 k( 255) = ( -0.5000000 0.5000000 0.0400000), wk = 0.0035211 k( 256) = ( -0.5000000 0.5000000 0.0200000), wk = 0.0035211 k( 257) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0035211 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 259) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0035211 k( 260) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0035211 k( 261) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0035211 k( 262) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0035211 k( 263) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0035211 k( 264) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0035211 k( 265) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0035211 k( 266) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0035211 k( 267) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0035211 k( 268) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0035211 k( 269) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0035211 k( 270) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0035211 k( 271) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0035211 k( 272) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0035211 k( 273) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0035211 k( 274) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0035211 k( 275) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0035211 k( 276) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0035211 k( 277) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0035211 k( 278) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0035211 k( 279) = ( -0.4038462 0.4038462 0.5000000), wk = 0.0035211 k( 280) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0035211 k( 281) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0035211 k( 282) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0035211 k( 283) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0035211 k( 284) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0035211 Dense grid: 450543 G-vectors FFT dimensions: ( 108, 108, 96) Smooth grid: 97675 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.95 Mb ( 780, 80) NL pseudopotentials 1.62 Mb ( 390, 272) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.11 Mb ( 14080) G-vector shells 0.05 Mb ( 7016) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.81 Mb ( 780, 320) Each subspace H/S matrix 1.56 Mb ( 320, 320) Each matrix 0.66 Mb ( 272, 2, 80) The potential is recalculated from file : ./TiI3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 8.4 secs Computing kpt #: 2 total cpu time spent up to now is 12.2 secs Computing kpt #: 3 total cpu time spent up to now is 16.0 secs Computing kpt #: 4 total cpu time spent up to now is 19.8 secs Computing kpt #: 5 total cpu time spent up to now is 23.6 secs Computing kpt #: 6 total cpu time spent up to now is 27.3 secs Computing kpt #: 7 total cpu time spent up to now is 31.2 secs Computing kpt #: 8 total cpu time spent up to now is 35.3 secs Computing kpt #: 9 total cpu time spent up to now is 39.1 secs Computing kpt #: 10 total cpu time spent up to now is 42.8 secs Computing kpt #: 11 total cpu time spent up to now is 46.6 secs Computing kpt #: 12 total cpu time spent up to now is 50.3 secs Computing kpt #: 13 total cpu time spent up to now is 54.0 secs Computing kpt #: 14 total cpu time spent up to now is 57.7 secs Computing kpt #: 15 total cpu time spent up to now is 61.4 secs Computing kpt #: 16 total cpu time spent up to now is 65.2 secs Computing kpt #: 17 total cpu time spent up to now is 68.8 secs Computing kpt #: 18 total cpu time spent up to now is 72.6 secs Computing kpt #: 19 total cpu time spent up to now is 76.3 secs Computing kpt #: 20 total cpu time spent up to now is 80.0 secs Computing kpt #: 21 total cpu time spent up to now is 83.6 secs Computing kpt #: 22 total cpu time spent up to now is 87.2 secs Computing kpt #: 23 total cpu time spent up to now is 90.8 secs Computing kpt #: 24 total cpu time spent up to now is 94.5 secs Computing kpt #: 25 total cpu time spent up to now is 98.1 secs Computing kpt #: 26 total cpu time spent up to now is 101.8 secs Computing kpt #: 27 total cpu time spent up to now is 105.4 secs Computing kpt #: 28 total cpu time spent up to now is 109.0 secs Computing kpt #: 29 total cpu time spent up to now is 112.6 secs Computing kpt #: 30 total cpu time spent up to now is 116.2 secs Computing kpt #: 31 total cpu time spent up to now is 119.8 secs Computing kpt #: 32 total cpu time spent up to now is 123.4 secs Computing kpt #: 33 total cpu time spent up to now is 127.0 secs Computing kpt #: 34 total cpu time spent up to now is 130.6 secs Computing kpt #: 35 total cpu time spent up to now is 134.5 secs Computing kpt #: 36 total cpu time spent up to now is 140.9 secs Computing kpt #: 37 total cpu time spent up to now is 144.5 secs Computing kpt #: 38 total cpu time spent up to now is 148.2 secs Computing kpt #: 39 total cpu time spent up to now is 151.9 secs Computing kpt #: 40 total cpu time spent up to now is 155.6 secs Computing kpt #: 41 total cpu time spent up to now is 159.3 secs Computing kpt #: 42 total cpu time spent up to now is 163.0 secs Computing kpt #: 43 total cpu time spent up to now is 166.8 secs Computing kpt #: 44 total cpu time spent up to now is 170.5 secs Computing kpt #: 45 total cpu time spent up to now is 174.3 secs Computing kpt #: 46 total cpu time spent up to now is 178.1 secs Computing kpt #: 47 total cpu time spent up to now is 181.8 secs Computing kpt #: 48 total cpu time spent up to now is 185.5 secs Computing kpt #: 49 total cpu time spent up to now is 189.2 secs Computing kpt #: 50 total cpu time spent up to now is 193.0 secs Computing kpt #: 51 total cpu time spent up to now is 196.8 secs Computing kpt #: 52 total cpu time spent up to now is 200.6 secs Computing kpt #: 53 total cpu time spent up to now is 204.4 secs Computing kpt #: 54 total cpu time spent up to now is 208.3 secs Computing kpt #: 55 total cpu time spent up to now is 212.1 secs Computing kpt #: 56 total cpu time spent up to now is 215.9 secs Computing kpt #: 57 total cpu time spent up to now is 219.6 secs Computing kpt #: 58 total cpu time spent up to now is 223.4 secs Computing kpt #: 59 total cpu time spent up to now is 227.2 secs Computing kpt #: 60 total cpu time spent up to now is 231.1 secs Computing kpt #: 61 total cpu time spent up to now is 234.9 secs Computing kpt #: 62 total cpu time spent up to now is 238.8 secs Computing kpt #: 63 total cpu time spent up to now is 242.6 secs Computing kpt #: 64 total cpu time spent up to now is 246.5 secs Computing kpt #: 65 total cpu time spent up to now is 250.5 secs Computing kpt #: 66 total cpu time spent up to now is 254.4 secs Computing kpt #: 67 total cpu time spent up to now is 258.4 secs Computing kpt #: 68 total cpu time spent up to now is 262.4 secs Computing kpt #: 69 total cpu time spent up to now is 266.9 secs Computing kpt #: 70 total cpu time spent up to now is 270.9 secs Computing kpt #: 71 total cpu time spent up to now is 274.9 secs Computing kpt #: 72 total cpu time spent up to now is 278.9 secs Computing kpt #: 73 total cpu time spent up to now is 282.7 secs Computing kpt #: 74 total cpu time spent up to now is 286.6 secs Computing kpt #: 75 total cpu time spent up to now is 290.6 secs Computing kpt #: 76 total cpu time spent up to now is 294.5 secs Computing kpt #: 77 total cpu time spent up to now is 298.5 secs Computing kpt #: 78 total cpu time spent up to now is 302.5 secs Computing kpt #: 79 total cpu time spent up to now is 306.4 secs Computing kpt #: 80 total cpu time spent up to now is 310.4 secs Computing kpt #: 81 total cpu time spent up to now is 314.3 secs Computing kpt #: 82 total cpu time spent up to now is 318.3 secs Computing kpt #: 83 total cpu time spent up to now is 322.4 secs Computing kpt #: 84 total cpu time spent up to now is 326.4 secs Computing kpt #: 85 total cpu time spent up to now is 330.4 secs Computing kpt #: 86 total cpu time spent up to now is 334.5 secs Computing kpt #: 87 total cpu time spent up to now is 338.9 secs Computing kpt #: 88 total cpu time spent up to now is 343.2 secs Computing kpt #: 89 total cpu time spent up to now is 347.6 secs Computing kpt #: 90 total cpu time spent up to now is 352.0 secs Computing kpt #: 91 total cpu time spent up to now is 356.3 secs Computing kpt #: 92 total cpu time spent up to now is 360.4 secs Computing kpt #: 93 total cpu time spent up to now is 364.4 secs Computing kpt #: 94 total cpu time spent up to now is 368.3 secs Computing kpt #: 95 total cpu time spent up to now is 372.3 secs Computing kpt #: 96 total cpu time spent up to now is 376.2 secs Computing kpt #: 97 total cpu time spent up to now is 380.1 secs Computing kpt #: 98 total cpu time spent up to now is 384.0 secs Computing kpt #: 99 total cpu time spent up to now is 387.8 secs Computing kpt #: 100 total cpu time spent up to now is 391.7 secs Computing kpt #: 101 total cpu time spent up to now is 395.6 secs Computing kpt #: 102 total cpu time spent up to now is 399.4 secs Computing kpt #: 103 total cpu time spent up to now is 403.2 secs Computing kpt #: 104 total cpu time spent up to now is 407.1 secs Computing kpt #: 105 total cpu time spent up to now is 411.0 secs Computing kpt #: 106 total cpu time spent up to now is 414.9 secs Computing kpt #: 107 total cpu time spent up to now is 418.7 secs Computing kpt #: 108 total cpu time spent up to now is 422.6 secs Computing kpt #: 109 total cpu time spent up to now is 426.5 secs Computing kpt #: 110 total cpu time spent up to now is 430.4 secs Computing kpt #: 111 total cpu time spent up to now is 435.5 secs Computing kpt #: 112 total cpu time spent up to now is 441.9 secs Computing kpt #: 113 total cpu time spent up to now is 446.3 secs Computing kpt #: 114 total cpu time spent up to now is 450.6 secs Computing kpt #: 115 total cpu time spent up to now is 454.9 secs Computing kpt #: 116 total cpu time spent up to now is 459.2 secs Computing kpt #: 117 total cpu time spent up to now is 463.4 secs Computing kpt #: 118 total cpu time spent up to now is 467.6 secs Computing kpt #: 119 total cpu time spent up to now is 471.4 secs Computing kpt #: 120 total cpu time spent up to now is 475.5 secs Computing kpt #: 121 total cpu time spent up to now is 479.3 secs Computing kpt #: 122 total cpu time spent up to now is 483.2 secs Computing kpt #: 123 total cpu time spent up to now is 487.0 secs Computing kpt #: 124 total cpu time spent up to now is 490.9 secs Computing kpt #: 125 total cpu time spent up to now is 494.8 secs Computing kpt #: 126 total cpu time spent up to now is 498.7 secs Computing kpt #: 127 total cpu time spent up to now is 502.5 secs Computing kpt #: 128 total cpu time spent up to now is 506.3 secs Computing kpt #: 129 total cpu time spent up to now is 510.1 secs Computing kpt #: 130 total cpu time spent up to now is 513.9 secs Computing kpt #: 131 total cpu time spent up to now is 517.7 secs Computing kpt #: 132 total cpu time spent up to now is 521.5 secs Computing kpt #: 133 total cpu time spent up to now is 525.3 secs Computing kpt #: 134 total cpu time spent up to now is 529.0 secs Computing kpt #: 135 total cpu time spent up to now is 532.8 secs Computing kpt #: 136 total cpu time spent up to now is 536.5 secs Computing kpt #: 137 total cpu time spent up to now is 540.3 secs Computing kpt #: 138 total cpu time spent up to now is 544.0 secs Computing kpt #: 139 total cpu time spent up to now is 547.8 secs Computing kpt #: 140 total cpu time spent up to now is 551.6 secs Computing kpt #: 141 total cpu time spent up to now is 555.4 secs Computing kpt #: 142 total cpu time spent up to now is 559.1 secs Computing kpt #: 143 total cpu time spent up to now is 562.9 secs Computing kpt #: 144 total cpu time spent up to now is 566.7 secs Computing kpt #: 145 total cpu time spent up to now is 570.5 secs Computing kpt #: 146 total cpu time spent up to now is 574.3 secs Computing kpt #: 147 total cpu time spent up to now is 578.0 secs Computing kpt #: 148 total cpu time spent up to now is 581.8 secs Computing kpt #: 149 total cpu time spent up to now is 585.6 secs Computing kpt #: 150 total cpu time spent up to now is 589.4 secs Computing kpt #: 151 total cpu time spent up to now is 593.2 secs Computing kpt #: 152 total cpu time spent up to now is 597.0 secs Computing kpt #: 153 total cpu time spent up to now is 601.2 secs Computing kpt #: 154 total cpu time spent up to now is 605.0 secs Computing kpt #: 155 total cpu time spent up to now is 608.8 secs Computing kpt #: 156 total cpu time spent up to now is 613.0 secs Computing kpt #: 157 total cpu time spent up to now is 616.8 secs Computing kpt #: 158 total cpu time spent up to now is 620.6 secs Computing kpt #: 159 total cpu time spent up to now is 624.3 secs Computing kpt #: 160 total cpu time spent up to now is 628.1 secs Computing kpt #: 161 total cpu time spent up to now is 632.4 secs Computing kpt #: 162 total cpu time spent up to now is 636.6 secs Computing kpt #: 163 total cpu time spent up to now is 640.4 secs Computing kpt #: 164 total cpu time spent up to now is 644.3 secs Computing kpt #: 165 total cpu time spent up to now is 648.1 secs Computing kpt #: 166 total cpu time spent up to now is 652.0 secs Computing kpt #: 167 total cpu time spent up to now is 655.8 secs Computing kpt #: 168 total cpu time spent up to now is 659.7 secs Computing kpt #: 169 total cpu time spent up to now is 663.5 secs Computing kpt #: 170 total cpu time spent up to now is 667.4 secs Computing kpt #: 171 total cpu time spent up to now is 671.3 secs Computing kpt #: 172 total cpu time spent up to now is 675.2 secs Computing kpt #: 173 total cpu time spent up to now is 678.9 secs Computing kpt #: 174 total cpu time spent up to now is 682.7 secs Computing kpt #: 175 total cpu time spent up to now is 686.5 secs Computing kpt #: 176 total cpu time spent up to now is 690.3 secs Computing kpt #: 177 total cpu time spent up to now is 694.1 secs Computing kpt #: 178 total cpu time spent up to now is 697.9 secs Computing kpt #: 179 total cpu time spent up to now is 701.6 secs Computing kpt #: 180 total cpu time spent up to now is 705.3 secs Computing kpt #: 181 total cpu time spent up to now is 709.1 secs Computing kpt #: 182 total cpu time spent up to now is 712.8 secs Computing kpt #: 183 total cpu time spent up to now is 716.4 secs Computing kpt #: 184 total cpu time spent up to now is 720.1 secs Computing kpt #: 185 total cpu time spent up to now is 723.7 secs Computing kpt #: 186 total cpu time spent up to now is 727.4 secs Computing kpt #: 187 total cpu time spent up to now is 731.0 secs Computing kpt #: 188 total cpu time spent up to now is 736.2 secs Computing kpt #: 189 total cpu time spent up to now is 741.0 secs Computing kpt #: 190 total cpu time spent up to now is 744.6 secs Computing kpt #: 191 total cpu time spent up to now is 748.3 secs Computing kpt #: 192 total cpu time spent up to now is 751.9 secs Computing kpt #: 193 total cpu time spent up to now is 755.6 secs Computing kpt #: 194 total cpu time spent up to now is 759.3 secs Computing kpt #: 195 total cpu time spent up to now is 763.0 secs Computing kpt #: 196 total cpu time spent up to now is 766.7 secs Computing kpt #: 197 total cpu time spent up to now is 770.4 secs Computing kpt #: 198 total cpu time spent up to now is 774.1 secs Computing kpt #: 199 total cpu time spent up to now is 777.8 secs Computing kpt #: 200 total cpu time spent up to now is 781.5 secs Computing kpt #: 201 total cpu time spent up to now is 785.2 secs Computing kpt #: 202 total cpu time spent up to now is 789.0 secs Computing kpt #: 203 total cpu time spent up to now is 792.8 secs Computing kpt #: 204 total cpu time spent up to now is 796.6 secs Computing kpt #: 205 total cpu time spent up to now is 800.3 secs Computing kpt #: 206 total cpu time spent up to now is 804.1 secs Computing kpt #: 207 total cpu time spent up to now is 808.0 secs Computing kpt #: 208 total cpu time spent up to now is 811.8 secs Computing kpt #: 209 total cpu time spent up to now is 815.6 secs Computing kpt #: 210 total cpu time spent up to now is 819.6 secs Computing kpt #: 211 total cpu time spent up to now is 823.5 secs Computing kpt #: 212 total cpu time spent up to now is 827.5 secs Computing kpt #: 213 total cpu time spent up to now is 831.6 secs Computing kpt #: 214 total cpu time spent up to now is 836.0 secs Computing kpt #: 215 total cpu time spent up to now is 840.4 secs Computing kpt #: 216 total cpu time spent up to now is 844.7 secs Computing kpt #: 217 total cpu time spent up to now is 849.2 secs Computing kpt #: 218 total cpu time spent up to now is 853.6 secs Computing kpt #: 219 total cpu time spent up to now is 858.0 secs Computing kpt #: 220 total cpu time spent up to now is 862.4 secs Computing kpt #: 221 total cpu time spent up to now is 866.8 secs Computing kpt #: 222 total cpu time spent up to now is 871.3 secs Computing kpt #: 223 total cpu time spent up to now is 875.7 secs Computing kpt #: 224 total cpu time spent up to now is 880.1 secs Computing kpt #: 225 total cpu time spent up to now is 884.5 secs Computing kpt #: 226 total cpu time spent up to now is 888.9 secs Computing kpt #: 227 total cpu time spent up to now is 893.3 secs Computing kpt #: 228 total cpu time spent up to now is 897.6 secs Computing kpt #: 229 total cpu time spent up to now is 901.9 secs Computing kpt #: 230 total cpu time spent up to now is 906.3 secs Computing kpt #: 231 total cpu time spent up to now is 910.6 secs Computing kpt #: 232 total cpu time spent up to now is 914.9 secs Computing kpt #: 233 total cpu time spent up to now is 919.4 secs Computing kpt #: 234 total cpu time spent up to now is 923.8 secs Computing kpt #: 235 total cpu time spent up to now is 928.2 secs Computing kpt #: 236 total cpu time spent up to now is 932.3 secs Computing kpt #: 237 total cpu time spent up to now is 936.3 secs Computing kpt #: 238 total cpu time spent up to now is 940.3 secs Computing kpt #: 239 total cpu time spent up to now is 944.2 secs Computing kpt #: 240 total cpu time spent up to now is 948.1 secs Computing kpt #: 241 total cpu time spent up to now is 952.0 secs Computing kpt #: 242 total cpu time spent up to now is 955.8 secs Computing kpt #: 243 total cpu time spent up to now is 959.7 secs Computing kpt #: 244 total cpu time spent up to now is 963.5 secs Computing kpt #: 245 total cpu time spent up to now is 967.3 secs Computing kpt #: 246 total cpu time spent up to now is 971.1 secs Computing kpt #: 247 total cpu time spent up to now is 974.9 secs Computing kpt #: 248 total cpu time spent up to now is 978.7 secs Computing kpt #: 249 total cpu time spent up to now is 982.5 secs Computing kpt #: 250 total cpu time spent up to now is 986.4 secs Computing kpt #: 251 total cpu time spent up to now is 990.2 secs Computing kpt #: 252 total cpu time spent up to now is 994.1 secs Computing kpt #: 253 total cpu time spent up to now is 998.0 secs Computing kpt #: 254 total cpu time spent up to now is 1001.8 secs Computing kpt #: 255 total cpu time spent up to now is 1005.7 secs Computing kpt #: 256 total cpu time spent up to now is 1009.6 secs Computing kpt #: 257 total cpu time spent up to now is 1013.4 secs Computing kpt #: 258 total cpu time spent up to now is 1017.2 secs Computing kpt #: 259 total cpu time spent up to now is 1021.1 secs Computing kpt #: 260 total cpu time spent up to now is 1025.0 secs Computing kpt #: 261 total cpu time spent up to now is 1028.9 secs Computing kpt #: 262 total cpu time spent up to now is 1033.1 secs Computing kpt #: 263 total cpu time spent up to now is 1040.0 secs Computing kpt #: 264 total cpu time spent up to now is 1044.2 secs Computing kpt #: 265 total cpu time spent up to now is 1048.5 secs Computing kpt #: 266 total cpu time spent up to now is 1052.4 secs Computing kpt #: 267 total cpu time spent up to now is 1056.7 secs Computing kpt #: 268 total cpu time spent up to now is 1061.0 secs Computing kpt #: 269 total cpu time spent up to now is 1065.4 secs Computing kpt #: 270 total cpu time spent up to now is 1069.8 secs Computing kpt #: 271 total cpu time spent up to now is 1074.2 secs Computing kpt #: 272 total cpu time spent up to now is 1078.6 secs Computing kpt #: 273 total cpu time spent up to now is 1083.1 secs Computing kpt #: 274 total cpu time spent up to now is 1087.5 secs Computing kpt #: 275 total cpu time spent up to now is 1091.9 secs Computing kpt #: 276 total cpu time spent up to now is 1096.4 secs Computing kpt #: 277 total cpu time spent up to now is 1100.8 secs Computing kpt #: 278 total cpu time spent up to now is 1105.2 secs Computing kpt #: 279 total cpu time spent up to now is 1109.7 secs Computing kpt #: 280 total cpu time spent up to now is 1114.1 secs Computing kpt #: 281 total cpu time spent up to now is 1118.5 secs Computing kpt #: 282 total cpu time spent up to now is 1122.9 secs Computing kpt #: 283 total cpu time spent up to now is 1127.3 secs Computing kpt #: 284 total cpu time spent up to now is 1131.6 secs ethr = 1.52E-11, avg # of iterations = 37.5 total cpu time spent up to now is 1131.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12189 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.4172 -8.4172 -7.6572 -7.6572 -7.5348 -7.5348 -7.3823 -7.3823 -7.2959 -7.2959 -7.2301 -7.2301 -0.0013 -0.0013 0.0813 0.0813 0.7510 0.7510 1.2668 1.2668 1.3292 1.3292 1.3963 1.3963 1.9958 1.9958 2.1133 2.1133 2.1307 2.1307 2.1519 2.1519 2.3512 2.3512 2.3821 2.3821 2.5385 2.5385 3.0003 3.0003 3.2691 3.2691 3.3179 3.3179 4.4440 4.4440 4.5218 4.5218 4.7065 4.7065 5.7945 5.7945 5.8082 5.8082 5.9350 5.9350 5.9723 5.9723 6.4275 6.4275 6.4844 6.4844 6.7959 6.7959 k = 0.0111 0.0192-0.0000 ( 12203 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.4166 -8.4166 -7.6575 -7.6575 -7.5348 -7.5348 -7.3832 -7.3832 -7.2956 -7.2956 -7.2302 -7.2302 -0.0006 -0.0006 0.0821 0.0821 0.7513 0.7513 1.2582 1.2582 1.3372 1.3372 1.3973 1.3973 1.9954 1.9954 2.1082 2.1082 2.1356 2.1356 2.1537 2.1537 2.3505 2.3505 2.3821 2.3821 2.5386 2.5386 2.9995 2.9995 3.2660 3.2660 3.3215 3.3215 4.4394 4.4394 4.5188 4.5188 4.7077 4.7077 5.7945 5.7945 5.8081 5.8081 5.9344 5.9344 5.9720 5.9720 6.4297 6.4297 6.4849 6.4849 6.7966 6.7966 k = 0.0222 0.0385-0.0000 ( 12185 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.4150 -8.4150 -7.6584 -7.6584 -7.5347 -7.5347 -7.3855 -7.3855 -7.2946 -7.2946 -7.2305 -7.2305 0.0015 0.0015 0.0847 0.0847 0.7522 0.7522 1.2399 1.2399 1.3527 1.3527 1.4015 1.4015 1.9939 1.9939 2.0994 2.0994 2.1423 2.1423 2.1602 2.1602 2.3481 2.3481 2.3827 2.3827 2.5387 2.5387 2.9972 2.9972 3.2577 3.2577 3.3311 3.3311 4.4257 4.4257 4.5107 4.5107 4.7108 4.7108 5.7943 5.7943 5.8080 5.8080 5.9325 5.9325 5.9713 5.9713 6.4362 6.4362 6.4862 6.4862 6.7987 6.7987 k = 0.0334 0.0577-0.0000 ( 12185 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.4122 -8.4122 -7.6598 -7.6598 -7.5346 -7.5346 -7.3893 -7.3893 -7.2931 -7.2931 -7.2310 -7.2310 0.0050 0.0050 0.0889 0.0889 0.7537 0.7537 1.2191 1.2191 1.3652 1.3652 1.4121 1.4121 1.9914 1.9914 2.0907 2.0907 2.1465 2.1465 2.1723 2.1723 2.3436 2.3436 2.3846 2.3846 2.5387 2.5387 2.9934 2.9934 3.2454 3.2454 3.3455 3.3455 4.4028 4.4028 4.4991 4.4991 4.7149 4.7149 5.7939 5.7939 5.8077 5.8077 5.9293 5.9293 5.9702 5.9702 6.4469 6.4469 6.4886 6.4886 6.8021 6.8021 k = 0.0445 0.0769-0.0000 ( 12183 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.4083 -8.4083 -7.6619 -7.6619 -7.5345 -7.5345 -7.3943 -7.3943 -7.2912 -7.2912 -7.2316 -7.2316 0.0098 0.0098 0.0948 0.0948 0.7558 0.7558 1.1983 1.1983 1.3710 1.3710 1.4302 1.4302 1.9875 1.9875 2.0829 2.0829 2.1491 2.1491 2.1875 2.1875 2.3373 2.3373 2.3884 2.3884 2.5383 2.5383 2.9882 2.9882 3.2296 3.2296 3.3641 3.3641 4.3714 4.3714 4.4851 4.4851 4.7191 4.7191 5.7934 5.7934 5.8073 5.8073 5.9245 5.9245 5.9686 5.9686 6.4612 6.4612 6.4919 6.4919 6.8069 6.8069 k = 0.0556 0.0962-0.0000 ( 12187 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.4034 -8.4034 -7.6644 -7.6644 -7.5345 -7.5345 -7.4003 -7.4003 -7.2891 -7.2891 -7.2325 -7.2325 0.0159 0.0159 0.1023 0.1023 0.7586 0.7586 1.1782 1.1782 1.3723 1.3723 1.4529 1.4529 1.9820 1.9820 2.0764 2.0764 2.1510 2.1510 2.2045 2.2045 2.3304 2.3304 2.3938 2.3938 2.5371 2.5371 2.9817 2.9817 3.2106 3.2106 3.3865 3.3865 4.3328 4.3328 4.4691 4.4691 4.7226 4.7226 5.7927 5.7927 5.8069 5.8069 5.9181 5.9181 5.9666 5.9666 6.4784 6.4784 6.4966 6.4966 6.8131 6.8131 k = 0.0667 0.1154-0.0000 ( 12177 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3974 -8.3974 -7.6675 -7.6675 -7.5347 -7.5347 -7.4070 -7.4070 -7.2868 -7.2868 -7.2335 -7.2335 0.0232 0.0232 0.1114 0.1114 0.7620 0.7620 1.1596 1.1596 1.3712 1.3712 1.4772 1.4772 1.9745 1.9745 2.0709 2.0709 2.1522 2.1522 2.2223 2.2223 2.3245 2.3245 2.4004 2.4004 2.5352 2.5352 2.9742 2.9742 3.1888 3.1888 3.4123 3.4123 4.2887 4.2887 4.4513 4.4513 4.7251 4.7251 5.7919 5.7919 5.8064 5.8064 5.9101 5.9101 5.9641 5.9641 6.4949 6.4949 6.5058 6.5058 6.8205 6.8205 k = 0.0778 0.1346-0.0000 ( 12193 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3904 -8.3904 -7.6712 -7.6712 -7.5353 -7.5353 -7.4141 -7.4141 -7.2844 -7.2844 -7.2347 -7.2347 0.0317 0.0317 0.1221 0.1221 0.7662 0.7662 1.1425 1.1425 1.3688 1.3688 1.5019 1.5019 1.9652 1.9652 2.0658 2.0658 2.1532 2.1532 2.2394 2.2394 2.3213 2.3213 2.4075 2.4075 2.5326 2.5326 2.9657 2.9657 3.1646 3.1646 3.4412 3.4412 4.2406 4.2406 4.4318 4.4318 4.7265 4.7265 5.7908 5.7908 5.8058 5.8058 5.9004 5.9004 5.9611 5.9611 6.5040 6.5040 6.5257 6.5257 6.8292 6.8292 k = 0.0889 0.1539-0.0000 ( 12199 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3825 -8.3825 -7.6753 -7.6753 -7.5364 -7.5364 -7.4213 -7.4213 -7.2820 -7.2820 -7.2361 -7.2361 0.0412 0.0412 0.1342 0.1342 0.7711 0.7711 1.1273 1.1273 1.3654 1.3655 1.5263 1.5263 1.9541 1.9541 2.0596 2.0596 2.1549 2.1549 2.2536 2.2536 2.3229 2.3229 2.4150 2.4150 2.5297 2.5297 2.9560 2.9560 3.1390 3.1390 3.4725 3.4725 4.1901 4.1901 4.4107 4.4107 4.7268 4.7268 5.7894 5.7894 5.8052 5.8052 5.8892 5.8892 5.9573 5.9573 6.5113 6.5113 6.5500 6.5500 6.8391 6.8391 k = 0.1001 0.1731-0.0000 ( 12195 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3736 -8.3736 -7.6799 -7.6799 -7.5382 -7.5382 -7.4283 -7.4283 -7.2797 -7.2797 -7.2376 -7.2376 0.0517 0.0517 0.1477 0.1477 0.7767 0.7767 1.1141 1.1141 1.3613 1.3613 1.5501 1.5501 1.9418 1.9418 2.0508 2.0508 2.1587 2.1587 2.2626 2.2626 2.3308 2.3308 2.4223 2.4223 2.5270 2.5270 2.9448 2.9448 3.1135 3.1135 3.5055 3.5055 4.1387 4.1387 4.3881 4.3881 4.7259 4.7259 5.7877 5.7877 5.8045 5.8045 5.8767 5.8767 5.9528 5.9528 6.5191 6.5191 6.5758 6.5758 6.8501 6.8501 k = 0.1112 0.1923-0.0000 ( 12201 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3638 -8.3638 -7.6850 -7.6850 -7.5410 -7.5410 -7.4348 -7.4348 -7.2775 -7.2775 -7.2394 -7.2394 0.0631 0.0631 0.1625 0.1625 0.7831 0.7831 1.1029 1.1029 1.3564 1.3564 1.5730 1.5730 1.9287 1.9287 2.0383 2.0383 2.1654 2.1654 2.2651 2.2651 2.3442 2.3442 2.4295 2.4295 2.5252 2.5252 2.9311 2.9311 3.0902 3.0902 3.5394 3.5394 4.0876 4.0876 4.3642 4.3642 4.7240 4.7240 5.7854 5.7854 5.8039 5.8039 5.8633 5.8633 5.9475 5.9475 6.5277 6.5277 6.6023 6.6023 6.8621 6.8621 k = 0.1223 0.2116-0.0000 ( 12209 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3533 -8.3533 -7.6905 -7.6905 -7.5451 -7.5451 -7.4404 -7.4404 -7.2753 -7.2753 -7.2412 -7.2412 0.0753 0.0753 0.1786 0.1786 0.7902 0.7902 1.0938 1.0938 1.3509 1.3509 1.5946 1.5946 1.9153 1.9153 2.0223 2.0223 2.1753 2.1753 2.2618 2.2618 2.3599 2.3599 2.4370 2.4370 2.5250 2.5250 2.9137 2.9137 3.0717 3.0717 3.5729 3.5729 4.0386 4.0386 4.3393 4.3393 4.7212 4.7212 5.7823 5.7823 5.8032 5.8032 5.8494 5.8494 5.9414 5.9414 6.5372 6.5372 6.6288 6.6288 6.8750 6.8750 k = 0.1334 0.2308-0.0000 ( 12217 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3420 -8.3420 -7.6964 -7.6964 -7.5506 -7.5506 -7.4449 -7.4449 -7.2732 -7.2732 -7.2432 -7.2432 0.0883 0.0883 0.1957 0.1957 0.7980 0.7980 1.0868 1.0868 1.3450 1.3450 1.6145 1.6145 1.9020 1.9020 2.0036 2.0036 2.1872 2.1872 2.2531 2.2531 2.3754 2.3754 2.4457 2.4457 2.5268 2.5268 2.8919 2.8919 3.0601 3.0601 3.6045 3.6045 3.9933 3.9933 4.3137 4.3137 4.7175 4.7175 5.7779 5.7779 5.8025 5.8025 5.8358 5.8358 5.9344 5.9344 6.5475 6.5475 6.6548 6.6548 6.8885 6.8885 k = 0.1445 0.2500-0.0000 ( 12223 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3301 -8.3301 -7.7027 -7.7027 -7.5574 -7.5574 -7.4480 -7.4480 -7.2711 -7.2711 -7.2454 -7.2454 0.1019 0.1019 0.2139 0.2139 0.8065 0.8065 1.0817 1.0817 1.3386 1.3386 1.6322 1.6322 1.8894 1.8894 1.9830 1.9830 2.1984 2.1984 2.2408 2.2408 2.3889 2.3889 2.4564 2.4564 2.5301 2.5301 2.8665 2.8665 3.0563 3.0563 3.6317 3.6317 3.9542 3.9542 4.2876 4.2876 4.7131 4.7131 5.7713 5.7713 5.8018 5.8018 5.8235 5.8235 5.9266 5.9266 6.5588 6.5588 6.6800 6.6800 6.9025 6.9025 k = 0.1557 0.2693-0.0000 ( 12223 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3176 -8.3176 -7.7093 -7.7093 -7.5656 -7.5656 -7.4500 -7.4500 -7.2692 -7.2692 -7.2477 -7.2477 0.1162 0.1162 0.2329 0.2329 0.8157 0.8157 1.0786 1.0786 1.3321 1.3321 1.6471 1.6471 1.8778 1.8778 1.9616 1.9616 2.1968 2.1968 2.2360 2.2360 2.4002 2.4002 2.4691 2.4691 2.5345 2.5345 2.8398 2.8398 3.0597 3.0597 3.6508 3.6508 3.9249 3.9249 4.2615 4.2615 4.7081 4.7081 5.7619 5.7619 5.8011 5.8011 5.8135 5.8135 5.9182 5.9182 6.5709 6.5709 6.7041 6.7041 6.9166 6.9166 k = 0.1668 0.2885-0.0000 ( 12229 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3047 -8.3047 -7.7162 -7.7162 -7.5748 -7.5748 -7.4508 -7.4508 -7.2673 -7.2673 -7.2501 -7.2501 0.1310 0.1310 0.2525 0.2525 0.8255 0.8255 1.0771 1.0771 1.3253 1.3253 1.6584 1.6584 1.8668 1.8668 1.9407 1.9407 2.1740 2.1740 2.2470 2.2470 2.4097 2.4097 2.4825 2.4825 2.5393 2.5393 2.8144 2.8144 3.0690 3.0690 3.6577 3.6577 3.9091 3.9091 4.2357 4.2357 4.7026 4.7026 5.7495 5.7495 5.8004 5.8004 5.8064 5.8064 5.9090 5.9090 6.5839 6.5839 6.7268 6.7268 6.9305 6.9305 k = 0.1779 0.3077-0.0000 ( 12217 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2914 -8.2914 -7.7233 -7.7233 -7.5848 -7.5848 -7.4506 -7.4506 -7.2654 -7.2654 -7.2526 -7.2526 0.1464 0.1464 0.2726 0.2726 0.8360 0.8360 1.0771 1.0771 1.3186 1.3186 1.6656 1.6656 1.8557 1.8557 1.9217 1.9217 2.1416 2.1416 2.2628 2.2628 2.4175 2.4175 2.4955 2.4955 2.5444 2.5444 2.7927 2.7927 3.0832 3.0832 3.6503 3.6503 3.9083 3.9083 4.2109 4.2109 4.6966 4.6966 5.7351 5.7351 5.7994 5.7994 5.8018 5.8018 5.8992 5.8992 6.5978 6.5978 6.7480 6.7480 6.9438 6.9438 k = 0.1890 0.3270-0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2779 -8.2779 -7.7307 -7.7307 -7.5953 -7.5953 -7.4498 -7.4498 -7.2636 -7.2636 -7.2553 -7.2553 0.1622 0.1622 0.2930 0.2930 0.8472 0.8472 1.0784 1.0784 1.3119 1.3119 1.6682 1.6682 1.8418 1.8418 1.9065 1.9065 2.1048 2.1048 2.2793 2.2793 2.4237 2.4237 2.5070 2.5070 2.5500 2.5500 2.7764 2.7764 3.1010 3.1010 3.6315 3.6315 3.9187 3.9187 4.1879 4.1879 4.6904 4.6904 5.7199 5.7199 5.7971 5.7971 5.7999 5.7999 5.8889 5.8889 6.6125 6.6125 6.7677 6.7677 6.9560 6.9560 k = 0.2001 0.3462-0.0000 ( 12239 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2644 -8.2644 -7.7383 -7.7383 -7.6059 -7.6059 -7.4483 -7.4483 -7.2618 -7.2618 -7.2580 -7.2580 0.1784 0.1784 0.3135 0.3135 0.8590 0.8590 1.0808 1.0808 1.3055 1.3055 1.6666 1.6666 1.8229 1.8229 1.8960 1.8960 2.0666 2.0666 2.2953 2.2953 2.4283 2.4283 2.5165 2.5165 2.5567 2.5567 2.7663 2.7663 3.1214 3.1214 3.6062 3.6062 3.9342 3.9342 4.1678 4.1678 4.6840 4.6840 5.7048 5.7048 5.7945 5.7945 5.7991 5.7991 5.8781 5.8781 6.6280 6.6280 6.7859 6.7859 6.9669 6.9669 k = 0.2112 0.3654-0.0000 ( 12217 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2509 -8.2509 -7.7460 -7.7460 -7.6164 -7.6164 -7.4464 -7.4464 -7.2608 -7.2608 -7.2601 -7.2601 0.1949 0.1949 0.3338 0.3338 0.8714 0.8714 1.0839 1.0839 1.2995 1.2995 1.6613 1.6613 1.7985 1.7985 1.8882 1.8882 2.0299 2.0299 2.3105 2.3105 2.4316 2.4316 2.5243 2.5243 2.5648 2.5648 2.7621 2.7621 3.1433 3.1433 3.5780 3.5780 3.9492 3.9492 4.1525 4.1525 4.6776 4.6776 5.6905 5.6905 5.7921 5.7921 5.7985 5.7985 5.8670 5.8670 6.6442 6.6442 6.8024 6.8024 6.9760 6.9760 k = 0.2224 0.3847-0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2377 -8.2377 -7.7539 -7.7539 -7.6264 -7.6264 -7.4442 -7.4442 -7.2636 -7.2636 -7.2584 -7.2584 0.2116 0.2116 0.3536 0.3536 0.8842 0.8842 1.0876 1.0876 1.2939 1.2939 1.6525 1.6525 1.7693 1.7693 1.8798 1.8798 1.9980 1.9980 2.3248 2.3248 2.4345 2.4345 2.5309 2.5309 2.5740 2.5740 2.7629 2.7629 3.1659 3.1659 3.5495 3.5495 3.9592 3.9592 4.1438 4.1438 4.6713 4.6713 5.6777 5.6777 5.7898 5.7898 5.7980 5.7980 5.8557 5.8557 6.6611 6.6611 6.8174 6.8174 6.9832 6.9832 k = 0.2335 0.4039-0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2249 -8.2249 -7.7618 -7.7618 -7.6358 -7.6358 -7.4418 -7.4418 -7.2665 -7.2665 -7.2567 -7.2567 0.2285 0.2285 0.3726 0.3726 0.8973 0.8973 1.0917 1.0917 1.2890 1.2890 1.6398 1.6398 1.7371 1.7371 1.8683 1.8683 1.9730 1.9730 2.3387 2.3387 2.4378 2.4378 2.5368 2.5368 2.5836 2.5836 2.7675 2.7675 3.1882 3.1882 3.5219 3.5219 3.9616 3.9616 4.1433 4.1433 4.6652 4.6652 5.6669 5.6669 5.7873 5.7873 5.7975 5.7975 5.8444 5.8444 6.6786 6.6786 6.8305 6.8305 6.9882 6.9882 k = 0.2446 0.4231-0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2127 -8.2127 -7.7697 -7.7697 -7.6443 -7.6443 -7.4392 -7.4392 -7.2695 -7.2695 -7.2551 -7.2551 0.2453 0.2453 0.3906 0.3906 0.9105 0.9105 1.0961 1.0961 1.2850 1.2850 1.6209 1.6209 1.7057 1.7057 1.8539 1.8539 1.9547 1.9547 2.3527 2.3527 2.4422 2.4422 2.5419 2.5419 2.5932 2.5932 2.7747 2.7747 3.2095 3.2095 3.4959 3.4959 3.9565 3.9565 4.1499 4.1499 4.6595 4.6595 5.6585 5.6585 5.7843 5.7843 5.7971 5.7971 5.8334 5.8334 6.6966 6.6966 6.8416 6.8416 6.9913 6.9913 k = 0.2557 0.4424-0.0000 ( 12223 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2013 -8.2013 -7.7777 -7.7777 -7.6516 -7.6516 -7.4366 -7.4366 -7.2724 -7.2724 -7.2536 -7.2536 0.2619 0.2619 0.4073 0.4073 0.9232 0.9232 1.1006 1.1006 1.2820 1.2820 1.5924 1.5924 1.6806 1.6806 1.8382 1.8382 1.9409 1.9409 2.3673 2.3673 2.4476 2.4476 2.5461 2.5461 2.6026 2.6026 2.7833 2.7833 3.2292 3.2292 3.4720 3.4720 3.9463 3.9463 4.1611 4.1611 4.6543 4.6543 5.6527 5.6527 5.7803 5.7803 5.7967 5.7967 5.8233 5.8233 6.7150 6.7150 6.8504 6.8504 6.9925 6.9925 k = 0.2668 0.4616-0.0000 ( 12208 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1908 -8.1908 -7.7856 -7.7856 -7.6575 -7.6575 -7.4340 -7.4340 -7.2754 -7.2754 -7.2521 -7.2521 0.2780 0.2780 0.4223 0.4223 0.9351 0.9351 1.1052 1.1052 1.2804 1.2804 1.5548 1.5548 1.6637 1.6637 1.8229 1.8229 1.9294 1.9294 2.3827 2.3827 2.4538 2.4538 2.5494 2.5494 2.6113 2.6113 2.7926 2.7926 3.2468 3.2468 3.4504 3.4504 3.9337 3.9337 4.1741 4.1741 4.6497 4.6497 5.6498 5.6498 5.7746 5.7746 5.7964 5.7964 5.8148 5.8148 6.7338 6.7338 6.8562 6.8562 6.9924 6.9924 k = 0.2780 0.4808-0.0000 ( 12214 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1815 -8.1815 -7.7934 -7.7934 -7.6619 -7.6619 -7.4314 -7.4314 -7.2783 -7.2783 -7.2507 -7.2507 0.2935 0.2935 0.4355 0.4355 0.9454 0.9454 1.1098 1.1098 1.2804 1.2804 1.5130 1.5130 1.6525 1.6525 1.8090 1.8090 1.9195 1.9195 2.3987 2.3987 2.4602 2.4602 2.5515 2.5515 2.6191 2.6191 2.8018 2.8018 3.2621 3.2621 3.4312 3.4312 3.9207 3.9207 4.1869 4.1869 4.6457 4.6457 5.6498 5.6498 5.7667 5.7667 5.7962 5.7962 5.8085 5.8085 6.7527 6.7527 6.8584 6.8584 6.9918 6.9918 k = 0.2891 0.5001-0.0000 ( 12216 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1735 -8.1735 -7.8011 -7.8011 -7.6647 -7.6647 -7.4289 -7.4289 -7.2813 -7.2813 -7.2494 -7.2494 0.3078 0.3078 0.4466 0.4466 0.9533 0.9533 1.1143 1.1143 1.2824 1.2824 1.4716 1.4716 1.6446 1.6446 1.7969 1.7969 1.9108 1.9108 2.4145 2.4145 2.4665 2.4665 2.5526 2.5526 2.6259 2.6259 2.8103 2.8103 3.2750 3.2750 3.4145 3.4145 3.9088 3.9088 4.1983 4.1983 4.6425 4.6425 5.6528 5.6528 5.7568 5.7568 5.7960 5.7960 5.8043 5.8043 6.7715 6.7715 6.8563 6.8563 6.9914 6.9914 k = 0.3002 0.5193-0.0000 ( 12214 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1668 -8.1668 -7.8086 -7.8086 -7.6658 -7.6658 -7.4264 -7.4264 -7.2842 -7.2842 -7.2483 -7.2483 0.3207 0.3207 0.4555 0.4555 0.9581 0.9581 1.1184 1.1184 1.2867 1.2867 1.4336 1.4336 1.6388 1.6388 1.7868 1.7868 1.9036 1.9036 2.4292 2.4292 2.4722 2.4722 2.5527 2.5527 2.6315 2.6315 2.8177 2.8177 3.2854 3.2854 3.4001 3.4001 3.8991 3.8991 4.2077 4.2077 4.6400 4.6400 5.6583 5.6583 5.7457 5.7457 5.7959 5.7959 5.8017 5.8017 6.7897 6.7897 6.8499 6.8499 6.9921 6.9921 k = 0.3113 0.5385-0.0000 ( 12246 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1615 -8.1615 -7.8160 -7.8160 -7.6652 -7.6652 -7.4240 -7.4240 -7.2870 -7.2870 -7.2473 -7.2473 0.3316 0.3316 0.4622 0.4622 0.9592 0.9592 1.1218 1.1218 1.2934 1.2934 1.4014 1.4014 1.6348 1.6348 1.7792 1.7792 1.8982 1.8982 2.4419 2.4419 2.4770 2.4770 2.5518 2.5518 2.6359 2.6359 2.8235 2.8235 3.2935 3.2935 3.3881 3.3881 3.8924 3.8924 4.2146 4.2146 4.6384 4.6384 5.6657 5.6657 5.7344 5.7344 5.7958 5.7958 5.8001 5.8001 6.8048 6.8048 6.8413 6.8413 6.9940 6.9940 k = 0.3224 0.5578-0.0000 ( 12262 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3647 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1576 -8.1576 -7.8231 -7.8231 -7.6628 -7.6628 -7.4216 -7.4216 -7.2898 -7.2898 -7.2465 -7.2465 0.3401 0.3401 0.4667 0.4667 0.9565 0.9565 1.1242 1.1242 1.3016 1.3016 1.3773 1.3773 1.6325 1.6325 1.7741 1.7741 1.8947 1.8947 2.4513 2.4513 2.4808 2.4808 2.5499 2.5499 2.6393 2.6393 2.8275 2.8275 3.2991 3.2991 3.3790 3.3790 3.8891 3.8891 4.2190 4.2190 4.6375 4.6375 5.6731 5.6731 5.7249 5.7249 5.7958 5.7958 5.7994 5.7994 6.8058 6.8058 6.8418 6.8418 6.9972 6.9972 k = 0.3335 0.5770-0.0000 ( 12262 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3647 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1550 -8.1550 -7.8299 -7.8299 -7.6589 -7.6589 -7.4194 -7.4194 -7.2924 -7.2924 -7.2458 -7.2458 0.3457 0.3457 0.4691 0.4691 0.9507 0.9507 1.1251 1.1251 1.3077 1.3077 1.3651 1.3651 1.6321 1.6321 1.7717 1.7717 1.8931 1.8931 2.4560 2.4560 2.4837 2.4837 2.5470 2.5470 2.6418 2.6418 2.8294 2.8294 3.3016 3.3016 3.3735 3.3735 3.8895 3.8895 4.2207 4.2207 4.6375 4.6375 5.6763 5.6763 5.7212 5.7212 5.7958 5.7958 5.7993 5.7993 6.7887 6.7887 6.8558 6.8558 7.0014 7.0014 k = 0.3335 0.5770-0.0000 ( 12262 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3647 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1550 -8.1550 -7.8299 -7.8299 -7.6589 -7.6589 -7.4194 -7.4194 -7.2924 -7.2924 -7.2458 -7.2458 0.3457 0.3457 0.4691 0.4691 0.9507 0.9507 1.1251 1.1251 1.3077 1.3077 1.3651 1.3651 1.6321 1.6321 1.7717 1.7717 1.8931 1.8931 2.4560 2.4560 2.4837 2.4837 2.5470 2.5470 2.6418 2.6418 2.8294 2.8294 3.3016 3.3016 3.3735 3.3735 3.8895 3.8895 4.2207 4.2207 4.6375 4.6375 5.6763 5.6763 5.7212 5.7212 5.7958 5.7958 5.7993 5.7993 6.7887 6.7887 6.8558 6.8558 7.0014 7.0014 k = 0.3113 0.5770-0.0000 ( 12244 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1566 -8.1566 -7.8264 -7.8263 -7.6606 -7.6606 -7.4205 -7.4205 -7.2912 -7.2912 -7.2461 -7.2461 0.3415 0.3420 0.4673 0.4677 0.9501 0.9578 1.1188 1.1299 1.2970 1.3116 1.3683 1.3786 1.6304 1.6345 1.7693 1.7783 1.8918 1.8968 2.4513 2.4533 2.4778 2.4869 2.5470 2.5492 2.6372 2.6429 2.8264 2.8295 3.2971 3.3018 3.3729 3.3820 3.8887 3.8916 4.2187 4.2198 4.6375 4.6378 5.6719 5.6730 5.7249 5.7262 5.7958 5.7959 5.7995 5.7996 6.7941 6.7945 6.8497 6.8502 7.0004 7.0005 k = 0.2891 0.5770-0.0000 ( 12242 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1594 -8.1593 -7.8227 -7.8226 -7.6609 -7.6609 -7.4218 -7.4218 -7.2900 -7.2899 -7.2463 -7.2463 0.3333 0.3342 0.4638 0.4646 0.9495 0.9648 1.1114 1.1339 1.2869 1.3099 1.3846 1.3991 1.6310 1.6378 1.7707 1.7872 1.8926 1.9016 2.4431 2.4436 2.4752 2.4864 2.5466 2.5487 2.6315 2.6425 2.8217 2.8276 3.2907 3.2985 3.3772 3.3933 3.8916 3.8971 4.2144 4.2166 4.6383 4.6388 5.6617 5.6631 5.7358 5.7377 5.7957 5.7959 5.8005 5.8007 6.7851 6.7855 6.8531 6.8539 7.0016 7.0018 k = 0.2668 0.5770-0.0000 ( 12234 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1629 -8.1629 -7.8192 -7.8191 -7.6598 -7.6597 -7.4231 -7.4231 -7.2889 -7.2888 -7.2466 -7.2466 0.3216 0.3226 0.4592 0.4604 0.9498 0.9723 1.1037 1.1372 1.2781 1.3057 1.4090 1.4242 1.6343 1.6422 1.7760 1.7979 1.8952 1.9075 2.4280 2.4332 2.4731 2.4813 2.5451 2.5454 2.6252 2.6408 2.8157 2.8240 3.2836 3.2932 3.3852 3.4064 3.8980 3.9058 4.2080 4.2113 4.6396 4.6405 5.6492 5.6506 5.7493 5.7513 5.7957 5.7960 5.8028 5.8030 6.7648 6.7651 6.8639 6.8647 7.0044 7.0047 k = 0.2446 0.5770-0.0000 ( 12230 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1671 -8.1670 -7.8163 -7.8161 -7.6573 -7.6571 -7.4244 -7.4244 -7.2879 -7.2878 -7.2469 -7.2468 0.3069 0.3080 0.4537 0.4551 0.9514 0.9805 1.0963 1.1397 1.2706 1.3005 1.4381 1.4530 1.6404 1.6481 1.7849 1.8101 1.8997 1.9141 2.4098 2.4203 2.4696 2.4717 2.5383 2.5428 2.6188 2.6378 2.8090 2.8189 3.2765 3.2871 3.3958 3.4204 3.9077 3.9174 4.2000 4.2042 4.6415 4.6426 5.6358 5.6371 5.7622 5.7641 5.7958 5.7960 5.8074 5.8075 6.7393 6.7394 6.8771 6.8778 7.0081 7.0085 k = 0.2224 0.5770-0.0000 ( 12226 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1716 -8.1715 -7.8139 -7.8137 -7.6535 -7.6533 -7.4258 -7.4257 -7.2870 -7.2869 -7.2472 -7.2471 0.2898 0.2910 0.4477 0.4492 0.9546 0.9894 1.0895 1.1415 1.2638 1.2949 1.4706 1.4845 1.6492 1.6553 1.7971 1.8230 1.9064 1.9212 2.3892 2.4048 2.4583 2.4638 2.5284 2.5377 2.6132 2.6340 2.8021 2.8128 3.2697 3.2808 3.4084 3.4349 3.9200 3.9312 4.1907 4.1957 4.6439 4.6451 5.6222 5.6234 5.7723 5.7738 5.7959 5.7962 5.8154 5.8156 6.7114 6.7114 6.8905 6.8911 7.0124 7.0128 k = 0.2001 0.5770-0.0000 ( 12230 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1761 -8.1761 -7.8123 -7.8121 -7.6487 -7.6485 -7.4271 -7.4271 -7.2861 -7.2860 -7.2476 -7.2475 0.2715 0.2725 0.4414 0.4430 0.9591 0.9988 1.0837 1.1427 1.2576 1.2887 1.5053 1.5180 1.6601 1.6638 1.8123 1.8359 1.9153 1.9286 2.3666 2.3863 2.4425 2.4551 2.5159 2.5291 2.6090 2.6297 2.7955 2.8061 3.2637 3.2748 3.4222 3.4493 3.9342 3.9466 4.1805 4.1863 4.6466 4.6478 5.6089 5.6099 5.7786 5.7796 5.7961 5.7964 5.8269 5.8274 6.6827 6.6827 6.9032 6.9038 7.0169 7.0173 k = 0.1779 0.5770-0.0000 ( 12228 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1807 -8.1806 -7.8113 -7.8111 -7.6432 -7.6430 -7.4284 -7.4284 -7.2853 -7.2852 -7.2480 -7.2480 0.2526 0.2535 0.4352 0.4368 0.9646 1.0079 1.0793 1.1434 1.2518 1.2822 1.5415 1.5529 1.6728 1.6734 1.8298 1.8479 1.9271 1.9363 2.3421 2.3642 2.4260 2.4433 2.5012 2.5164 2.6065 2.6254 2.7896 2.7995 3.2585 3.2693 3.4368 3.4634 3.9497 3.9628 4.1700 4.1764 4.6495 4.6507 5.5960 5.5968 5.7821 5.7827 5.7964 5.7966 5.8405 5.8412 6.6544 6.6545 6.9150 6.9156 7.0215 7.0219 k = 0.1557 0.5770-0.0000 ( 12224 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1850 -8.1849 -7.8108 -7.8106 -7.6373 -7.6371 -7.4297 -7.4297 -7.2846 -7.2845 -7.2485 -7.2485 0.2340 0.2349 0.4292 0.4307 0.9706 1.0157 1.0771 1.1437 1.2466 1.2756 1.5783 1.5883 1.6839 1.6866 1.8488 1.8585 1.9417 1.9442 2.3161 2.3384 2.4103 2.4288 2.4851 2.5001 2.6054 2.6214 2.7846 2.7932 3.2542 3.2644 3.4515 3.4768 3.9654 3.9789 4.1596 4.1667 4.6524 4.6537 5.5839 5.5846 5.7841 5.7844 5.7966 5.7968 5.8544 5.8552 6.6273 6.6274 6.9256 6.9261 7.0260 7.0263 k = 0.1334 0.5770-0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1889 -8.1888 -7.8107 -7.8105 -7.6314 -7.6313 -7.4309 -7.4309 -7.2839 -7.2838 -7.2491 -7.2490 0.2166 0.2173 0.4237 0.4250 0.9768 1.0208 1.0782 1.1434 1.2421 1.2690 1.6144 1.6232 1.6950 1.7012 1.8673 1.8683 1.9529 1.9588 2.2889 2.3094 2.3964 2.4123 2.4681 2.4809 2.6052 2.6179 2.7804 2.7876 3.2508 3.2601 3.4660 3.4891 3.9806 3.9941 4.1501 4.1576 4.6553 4.6565 5.5727 5.5733 5.7852 5.7854 5.7969 5.7971 5.8677 5.8685 6.6022 6.6024 6.9349 6.9353 7.0302 7.0305 k = 0.1112 0.5770-0.0000 ( 12202 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1924 -8.1924 -7.8108 -7.8107 -7.6258 -7.6257 -7.4319 -7.4319 -7.2833 -7.2832 -7.2496 -7.2496 0.2008 0.2014 0.4188 0.4199 0.9828 1.0227 1.0827 1.1425 1.2385 1.2626 1.6482 1.6558 1.7070 1.7166 1.8749 1.8866 1.9629 1.9775 2.2608 2.2782 2.3846 2.3951 2.4509 2.4598 2.6056 2.6152 2.7772 2.7829 3.2483 3.2565 3.4796 3.4999 3.9944 4.0075 4.1419 4.1496 4.6580 4.6591 5.5627 5.5632 5.7859 5.7860 5.7971 5.7973 5.8796 5.8803 6.5798 6.5800 6.9427 6.9431 7.0340 7.0343 k = 0.0889 0.5770-0.0000 ( 12198 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1954 -8.1953 -7.8111 -7.8110 -7.6208 -7.6207 -7.4329 -7.4329 -7.2828 -7.2827 -7.2502 -7.2501 0.1873 0.1877 0.4146 0.4155 0.9885 1.0217 1.0899 1.1409 1.2360 1.2566 1.6770 1.6835 1.7211 1.7331 1.8817 1.9017 1.9752 1.9962 2.2328 2.2466 2.3752 2.3786 2.4343 2.4383 2.6063 2.6131 2.7748 2.7790 3.2466 3.2534 3.4920 3.5088 4.0062 4.0181 4.1358 4.1431 4.6604 4.6613 5.5542 5.5546 5.7864 5.7864 5.7973 5.7975 5.8897 5.8903 6.5607 6.5608 6.9491 6.9494 7.0373 7.0375 k = 0.0667 0.5770-0.0000 ( 12192 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1977 -8.1977 -7.8114 -7.8113 -7.6167 -7.6166 -7.4337 -7.4337 -7.2823 -7.2822 -7.2506 -7.2506 0.1764 0.1767 0.4113 0.4120 0.9937 1.0191 1.0984 1.1382 1.2348 1.2511 1.6983 1.7026 1.7390 1.7509 1.8886 1.9120 1.9904 2.0134 2.2061 2.2163 2.3646 2.3678 2.4183 2.4191 2.6070 2.6116 2.7731 2.7761 3.2456 3.2508 3.5026 3.5156 4.0156 4.0255 4.1319 4.1382 4.6625 4.6631 5.5473 5.5476 5.7866 5.7867 5.7975 5.7976 5.8979 5.8984 6.5453 6.5454 6.9541 6.9543 7.0400 7.0402 k = 0.0445 0.5770-0.0000 ( 12196 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1995 -8.1994 -7.8117 -7.8116 -7.6135 -7.6135 -7.4342 -7.4342 -7.2819 -7.2819 -7.2510 -7.2510 0.1684 0.1686 0.4089 0.4093 0.9986 1.0156 1.1072 1.1343 1.2349 1.2462 1.7117 1.7136 1.7578 1.7672 1.8962 1.9169 2.0072 2.0270 2.1828 2.1898 2.3548 2.3619 2.4020 2.4062 2.6077 2.6105 2.7720 2.7739 3.2452 3.2488 3.5112 3.5201 4.0225 4.0296 4.1302 4.1348 4.6640 4.6644 5.5423 5.5425 5.7868 5.7868 5.7976 5.7977 5.9038 5.9042 6.5340 6.5340 6.9577 6.9578 7.0421 7.0422 k = 0.0222 0.5770-0.0000 ( 12184 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2005 -8.2005 -7.8119 -7.8118 -7.6116 -7.6116 -7.4346 -7.4346 -7.2817 -7.2817 -7.2513 -7.2512 0.1635 0.1636 0.4075 0.4077 1.0031 1.0116 1.1154 1.1292 1.2363 1.2420 1.7189 1.7194 1.7725 1.7777 1.9045 1.9167 2.0227 2.0344 2.1667 2.1704 2.3504 2.3563 2.3927 2.3965 2.6083 2.6097 2.7716 2.7725 3.2454 3.2472 3.5174 3.5219 4.0273 4.0310 4.1301 4.1326 4.6650 4.6652 5.5392 5.5393 5.7869 5.7869 5.7977 5.7978 5.9075 5.9077 6.5271 6.5271 6.9598 6.9599 7.0433 7.0434 k = 0.0000 0.5770-0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2009 -8.2009 -7.8119 -7.8119 -7.6109 -7.6109 -7.4347 -7.4347 -7.2816 -7.2816 -7.2513 -7.2513 0.1619 0.1619 0.4071 0.4071 1.0075 1.0075 1.1229 1.1229 1.2387 1.2387 1.7212 1.7212 1.7796 1.7796 1.9120 1.9120 2.0330 2.0330 2.1619 2.1619 2.3516 2.3516 2.3914 2.3914 2.6090 2.6090 2.7718 2.7718 3.2461 3.2461 3.5210 3.5210 4.0301 4.0301 4.1310 4.1310 4.6654 4.6654 5.5382 5.5382 5.7869 5.7869 5.7978 5.7978 5.9088 5.9088 6.5248 6.5248 6.9605 6.9605 7.0438 7.0438 k = 0.0000 0.5770-0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2009 -8.2009 -7.8119 -7.8119 -7.6109 -7.6109 -7.4347 -7.4347 -7.2816 -7.2816 -7.2513 -7.2513 0.1619 0.1619 0.4071 0.4071 1.0075 1.0075 1.1229 1.1229 1.2387 1.2387 1.7212 1.7212 1.7796 1.7796 1.9120 1.9120 2.0330 2.0330 2.1619 2.1619 2.3516 2.3516 2.3914 2.3914 2.6090 2.6090 2.7718 2.7718 3.2461 3.2461 3.5210 3.5210 4.0301 4.0301 4.1310 4.1310 4.6654 4.6654 5.5382 5.5382 5.7869 5.7869 5.7978 5.7978 5.9088 5.9088 6.5248 6.5248 6.9605 6.9605 7.0438 7.0438 k = 0.0000 0.5770 0.0219 ( 12192 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4511 -28.4511 -8.2003 -8.2003 -7.8117 -7.8117 -7.6107 -7.6107 -7.4353 -7.4353 -7.2819 -7.2819 -7.2518 -7.2518 0.1605 0.1636 0.4067 0.4095 1.0056 1.0070 1.1177 1.1267 1.2293 1.2449 1.7046 1.7378 1.7652 1.8010 1.9019 1.9219 2.0196 2.0435 2.1544 2.1645 2.3340 2.3618 2.3937 2.4039 2.5949 2.6216 2.7597 2.7914 3.2454 3.2477 3.5181 3.5252 4.0224 4.0285 4.1281 4.1295 4.6706 4.6727 5.5381 5.5386 5.7856 5.7876 5.7972 5.7979 5.9074 5.9097 6.5257 6.5264 6.9579 6.9601 7.0413 7.0424 k = 0.0000 0.5770 0.0439 ( 12206 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3645 -29.3584 -29.3584 -28.7972 -28.7972 -28.7786 -28.7786 -28.5695 -28.5694 -28.4514 -28.4514 -8.1985 -8.1985 -7.8110 -7.8110 -7.6102 -7.6102 -7.4370 -7.4370 -7.2826 -7.2826 -7.2531 -7.2531 0.1594 0.1653 0.4083 0.4138 1.0016 1.0040 1.1113 1.1289 1.2174 1.2476 1.6915 1.7382 1.7726 1.8255 1.8913 1.9317 2.0061 2.0489 2.1416 2.1629 2.3193 2.3632 2.4026 2.4308 2.5812 2.6302 2.7577 2.8160 3.2458 3.2504 3.5167 3.5310 4.0055 4.0178 4.1214 4.1246 4.6878 4.6916 5.5384 5.5394 5.7837 5.7875 5.7961 5.7975 5.9056 5.9101 6.5290 6.5304 6.9524 6.9566 7.0352 7.0374 k = 0.0000 0.5770 0.0658 ( 12214 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7972 -28.7972 -28.7787 -28.7787 -28.5690 -28.5689 -28.4520 -28.4519 -8.1956 -8.1955 -7.8098 -7.8098 -7.6092 -7.6092 -7.4399 -7.4398 -7.2839 -7.2839 -7.2552 -7.2551 0.1585 0.1673 0.4118 0.4200 0.9957 0.9986 1.1039 1.1294 1.2036 1.2467 1.6827 1.7300 1.7921 1.8508 1.8808 1.9419 1.9952 2.0483 2.1241 2.1579 2.3118 2.3629 2.4154 2.4637 2.5691 2.6341 2.7662 2.8437 3.2468 3.2537 3.5166 3.5384 3.9798 3.9989 4.1122 4.1177 4.7149 4.7203 5.5390 5.5406 5.7811 5.7865 5.7947 5.7965 5.9032 5.9101 6.5347 6.5368 6.9439 6.9502 7.0255 7.0289 k = 0.0000 0.5770 0.0877 ( 12210 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7971 -28.7971 -28.7788 -28.7788 -28.5684 -28.5683 -28.4527 -28.4525 -8.1915 -8.1914 -7.8082 -7.8082 -7.6078 -7.6078 -7.4440 -7.4438 -7.2859 -7.2858 -7.2579 -7.2578 0.1579 0.1694 0.4173 0.4279 0.9882 0.9907 1.0957 1.1280 1.1887 1.2421 1.6784 1.7241 1.8082 1.8708 1.8734 1.9528 1.9899 2.0423 2.1048 2.1512 2.3115 2.3632 2.4312 2.4993 2.5591 2.6355 2.7827 2.8730 3.2481 3.2575 3.5179 3.5477 3.9471 3.9731 4.1019 4.1100 4.7499 4.7563 5.5400 5.5421 5.7779 5.7845 5.7931 5.7950 5.9004 5.9095 6.5425 6.5454 6.9325 6.9409 7.0127 7.0172 k = 0.0000 0.5770 0.1097 ( 12198 PWs) bands (ev): -52.6356 -52.6356 -52.6236 -52.6236 -29.3644 -29.3643 -29.3585 -29.3584 -28.7969 -28.7969 -28.7790 -28.7789 -28.5676 -28.5674 -28.4535 -28.4534 -8.1863 -8.1862 -7.8062 -7.8062 -7.6061 -7.6060 -7.4492 -7.4490 -7.2886 -7.2885 -7.2610 -7.2610 0.1577 0.1716 0.4246 0.4374 0.9793 0.9810 1.0868 1.1244 1.1737 1.2341 1.6783 1.7217 1.8148 1.8616 1.8902 1.9622 1.9917 2.0330 2.0912 2.1456 2.3164 2.3644 2.4491 2.5341 2.5535 2.6375 2.8038 2.9028 3.2491 3.2612 3.5205 3.5588 3.9094 3.9429 4.0907 4.1015 4.7905 4.7977 5.5412 5.5439 5.7741 5.7813 5.7911 5.7930 5.8971 5.9083 6.5521 6.5559 6.9185 6.9288 6.9972 7.0029 k = 0.0000 0.5770 0.1316 ( 12200 PWs) bands (ev): -52.6355 -52.6355 -52.6237 -52.6237 -29.3644 -29.3642 -29.3586 -29.3584 -28.7968 -28.7968 -28.7791 -28.7791 -28.5667 -28.5665 -28.4546 -28.4544 -8.1800 -8.1799 -7.8038 -7.8037 -7.6039 -7.6039 -7.4555 -7.4552 -7.2922 -7.2921 -7.2644 -7.2644 0.1579 0.1740 0.4334 0.4483 0.9682 0.9705 1.0772 1.1177 1.1600 1.2233 1.6820 1.7223 1.8112 1.8506 1.8992 1.9623 1.9980 2.0237 2.0952 2.1455 2.3241 2.3664 2.4675 2.5396 2.5801 2.6430 2.8267 2.9323 3.2492 3.2643 3.5242 3.5715 3.8694 3.9108 4.0787 4.0924 4.8352 4.8428 5.5428 5.5460 5.7696 5.7771 5.7886 5.7905 5.8932 5.9065 6.5631 6.5678 6.9021 6.9141 6.9797 6.9865 k = 0.0000 0.5770 0.1535 ( 12206 PWs) bands (ev): -52.6354 -52.6354 -52.6238 -52.6238 -29.3643 -29.3641 -29.3586 -29.3584 -28.7966 -28.7966 -28.7793 -28.7793 -28.5656 -28.5653 -28.4559 -28.4556 -8.1727 -8.1725 -7.8010 -7.8009 -7.6014 -7.6013 -7.4629 -7.4627 -7.2970 -7.2968 -7.2677 -7.2677 0.1586 0.1766 0.4436 0.4604 0.9551 0.9601 1.0669 1.1075 1.1489 1.2102 1.6890 1.7248 1.8012 1.8365 1.8957 1.9541 1.9994 2.0209 2.1200 2.1559 2.3327 2.3690 2.4841 2.5338 2.6204 2.6542 2.8497 2.9606 3.2480 3.2666 3.5285 3.5851 3.8294 3.8790 4.0660 4.0826 4.8826 4.8904 5.5445 5.5484 5.7644 5.7719 5.7856 5.7875 5.8887 5.9039 6.5747 6.5806 6.8837 6.8972 6.9609 6.9687 k = 0.0000 0.5770 0.1755 ( 12220 PWs) bands (ev): -52.6353 -52.6353 -52.6239 -52.6239 -29.3642 -29.3640 -29.3587 -29.3584 -28.7964 -28.7964 -28.7795 -28.7795 -28.5643 -28.5640 -28.4573 -28.4570 -8.1642 -8.1640 -7.7978 -7.7978 -7.5985 -7.5984 -7.4715 -7.4712 -7.3028 -7.3027 -7.2709 -7.2708 0.1597 0.1794 0.4548 0.4734 0.9409 0.9497 1.0559 1.0943 1.1404 1.1956 1.6983 1.7269 1.7874 1.8219 1.8757 1.9496 1.9936 2.0237 2.1575 2.1789 2.3418 2.3719 2.4963 2.5284 2.6628 2.6729 2.8712 2.9872 3.2450 3.2677 3.5324 3.5979 3.7925 3.8496 4.0524 4.0720 4.9320 4.9396 5.5465 5.5510 5.7586 5.7658 5.7817 5.7841 5.8835 5.9006 6.5859 6.5932 6.8640 6.8787 6.9418 6.9504 k = 0.0000 0.5770 0.1974 ( 12210 PWs) bands (ev): -52.6351 -52.6351 -52.6241 -52.6241 -29.3641 -29.3638 -29.3587 -29.3584 -28.7962 -28.7961 -28.7798 -28.7797 -28.5629 -28.5626 -28.4588 -28.4585 -8.1549 -8.1546 -7.7944 -7.7943 -7.5951 -7.5951 -7.4811 -7.4808 -7.3098 -7.3097 -7.2737 -7.2737 0.1614 0.1826 0.4665 0.4869 0.9261 0.9393 1.0442 1.0799 1.1336 1.1801 1.7073 1.7229 1.7750 1.8079 1.8497 1.9479 1.9891 2.0252 2.1997 2.2126 2.3521 2.3755 2.5020 2.5245 2.6994 2.7068 2.8903 3.0113 3.2401 3.2680 3.5345 3.6072 3.7628 3.8247 4.0379 4.0606 4.9826 4.9898 5.5487 5.5538 5.7523 5.7589 5.7772 5.7802 5.8777 5.8965 6.5952 6.6042 6.8442 6.8597 6.9232 6.9323 k = 0.0000 0.5770 0.2193 ( 12196 PWs) bands (ev): -52.6350 -52.6350 -52.6242 -52.6242 -29.3640 -29.3637 -29.3588 -29.3585 -28.7959 -28.7959 -28.7800 -28.7800 -28.5613 -28.5610 -28.4605 -28.4602 -8.1445 -8.1443 -7.7907 -7.7906 -7.5914 -7.5913 -7.4918 -7.4914 -7.3178 -7.3176 -7.2763 -7.2763 0.1637 0.1860 0.4784 0.5005 0.9114 0.9295 1.0319 1.0655 1.1274 1.1645 1.6964 1.7200 1.7719 1.7906 1.8341 1.9449 1.9887 2.0259 2.2392 2.2527 2.3656 2.3807 2.5013 2.5224 2.7326 2.7521 2.9060 3.0318 3.2332 3.2683 3.5331 3.6092 3.7450 3.8055 4.0227 4.0485 5.0339 5.0404 5.5511 5.5568 5.7454 5.7513 5.7721 5.7758 5.8713 5.8914 6.6003 6.6112 6.8259 6.8421 6.9060 6.9156 k = 0.0000 0.5770 0.2413 ( 12206 PWs) bands (ev): -52.6348 -52.6348 -52.6244 -52.6244 -29.3639 -29.3635 -29.3588 -29.3585 -28.7956 -28.7956 -28.7803 -28.7802 -28.5597 -28.5593 -28.4624 -28.4620 -8.1334 -8.1331 -7.7868 -7.7867 -7.5873 -7.5872 -7.5035 -7.5031 -7.3267 -7.3264 -7.2787 -7.2787 0.1666 0.1899 0.4898 0.5137 0.8971 0.9205 1.0192 1.0522 1.1212 1.1497 1.6650 1.7089 1.7746 1.7828 1.8336 1.9407 1.9914 2.0273 2.2705 2.2914 2.3843 2.3932 2.4967 2.5219 2.7699 2.7984 2.9173 3.0475 3.2249 3.2700 3.5266 3.6025 3.7414 3.7929 4.0068 4.0359 5.0855 5.0912 5.5536 5.5599 5.7382 5.7432 5.7664 5.7708 5.8640 5.8853 6.5988 6.6114 6.8113 6.8281 6.8911 6.9014 k = 0.0000 0.5770 0.2632 ( 12216 PWs) bands (ev): -52.6347 -52.6347 -52.6245 -52.6245 -29.3637 -29.3634 -29.3589 -29.3586 -28.7954 -28.7953 -28.7806 -28.7805 -28.5579 -28.5575 -28.4643 -28.4640 -8.1214 -8.1212 -7.7827 -7.7826 -7.5827 -7.5827 -7.5160 -7.5156 -7.3362 -7.3359 -7.2809 -7.2809 0.1702 0.1943 0.5001 0.5259 0.8840 0.9127 1.0066 1.0403 1.1147 1.1362 1.6276 1.6768 1.7799 1.7937 1.8421 1.9366 1.9952 2.0307 2.2901 2.3179 2.4034 2.4249 2.4910 2.5250 2.8079 2.8452 2.9244 3.0569 3.2168 3.2746 3.5147 3.5912 3.7482 3.7862 3.9903 4.0226 5.1371 5.1418 5.5563 5.5632 5.7307 5.7347 5.7602 5.7655 5.8561 5.8781 6.5884 6.6023 6.8021 6.8193 6.8798 6.8911 k = 0.0000 0.5770 0.2851 ( 12216 PWs) bands (ev): -52.6345 -52.6345 -52.6247 -52.6247 -29.3636 -29.3632 -29.3590 -29.3586 -28.7951 -28.7950 -28.7809 -28.7808 -28.5560 -28.5556 -28.4664 -28.4660 -8.1088 -8.1085 -7.7786 -7.7785 -7.5778 -7.5777 -7.5294 -7.5289 -7.3462 -7.3460 -7.2830 -7.2829 0.1745 0.1992 0.5086 0.5361 0.8730 0.9065 0.9946 1.0303 1.1074 1.1247 1.5874 1.6366 1.7861 1.8135 1.8560 1.9336 1.9987 2.0368 2.2993 2.3289 2.4229 2.4652 2.4885 2.5391 2.8398 2.8907 2.9311 3.0599 3.2115 3.2831 3.4987 3.5798 3.7598 3.7840 3.9734 4.0090 5.1883 5.1921 5.5591 5.5665 5.7230 5.7261 5.7538 5.7599 5.8475 5.8698 6.5689 6.5830 6.7975 6.8147 6.8739 6.8864 k = 0.0000 0.5770 0.3071 ( 12220 PWs) bands (ev): -52.6343 -52.6343 -52.6249 -52.6249 -29.3635 -29.3630 -29.3590 -29.3587 -28.7948 -28.7947 -28.7812 -28.7811 -28.5541 -28.5537 -28.4685 -28.4681 -8.0957 -8.0954 -7.7745 -7.7743 -7.5724 -7.5723 -7.5434 -7.5429 -7.3567 -7.3564 -7.2849 -7.2849 0.1795 0.2046 0.5147 0.5436 0.8649 0.9023 0.9838 1.0225 1.0992 1.1154 1.5461 1.5943 1.7931 1.8368 1.8734 1.9322 2.0015 2.0461 2.3018 2.3300 2.4315 2.4734 2.5237 2.5716 2.8540 2.9241 2.9522 3.0611 3.2111 3.2956 3.4809 3.5700 3.7721 3.7842 3.9560 3.9948 5.2383 5.2419 5.5622 5.5699 5.7154 5.7177 5.7472 5.7543 5.8381 5.8605 6.5416 6.5554 6.7953 6.8118 6.8752 6.8887 k = 0.0000 0.5770 0.3290 ( 12218 PWs) bands (ev): -52.6342 -52.6342 -52.6251 -52.6251 -29.3633 -29.3629 -29.3591 -29.3587 -28.7944 -28.7944 -28.7815 -28.7814 -28.5520 -28.5517 -28.4706 -28.4703 -8.0821 -8.0818 -7.7703 -7.7702 -7.5667 -7.5666 -7.5579 -7.5574 -7.3674 -7.3672 -7.2868 -7.2867 0.1853 0.2105 0.5178 0.5476 0.8605 0.9002 0.9743 1.0173 1.0904 1.1078 1.5044 1.5518 1.8014 1.8608 1.8935 1.9325 2.0035 2.0584 2.3001 2.3261 2.4286 2.4680 2.5754 2.6184 2.8463 2.9298 2.9955 3.0729 3.2156 3.3109 3.4635 3.5622 3.7828 3.7851 3.9384 3.9803 5.2867 5.2912 5.5655 5.5736 5.7080 5.7098 5.7406 5.7491 5.8282 5.8502 6.5086 6.5217 6.7935 6.8088 6.8836 6.8978 k = 0.0000 0.5770 0.3509 ( 12216 PWs) bands (ev): -52.6340 -52.6340 -52.6252 -52.6252 -29.3632 -29.3627 -29.3592 -29.3588 -28.7941 -28.7940 -28.7818 -28.7817 -28.5500 -28.5496 -28.4728 -28.4724 -8.0682 -8.0679 -7.7663 -7.7662 -7.5727 -7.5723 -7.5604 -7.5603 -7.3784 -7.3781 -7.2885 -7.2884 0.1919 0.2170 0.5177 0.5476 0.8603 0.9007 0.9667 1.0147 1.0817 1.1013 1.4631 1.5099 1.8112 1.8831 1.9169 1.9347 2.0049 2.0737 2.2955 2.3192 2.4198 2.4626 2.6288 2.6719 2.8249 2.9130 3.0428 3.1021 3.2241 3.3269 3.4488 3.5564 3.7836 3.7917 3.9205 3.9653 5.3328 5.3394 5.5693 5.5777 5.7008 5.7027 5.7343 5.7445 5.8176 5.8390 6.4719 6.4841 6.7922 6.8062 6.8972 6.9122 k = 0.0000 0.5770 0.3728 ( 12206 PWs) bands (ev): -52.6338 -52.6338 -52.6254 -52.6254 -29.3630 -29.3626 -29.3592 -29.3588 -28.7938 -28.7937 -28.7821 -28.7820 -28.5479 -28.5476 -28.4750 -28.4746 -8.0543 -8.0540 -7.7625 -7.7624 -7.5876 -7.5872 -7.5539 -7.5537 -7.3895 -7.3892 -7.2900 -7.2899 0.1992 0.2239 0.5145 0.5437 0.8641 0.9036 0.9613 1.0146 1.0734 1.0954 1.4225 1.4692 1.8223 1.9015 1.9384 1.9440 2.0062 2.0916 2.2887 2.3105 2.4087 2.4584 2.6813 2.7276 2.7962 2.8817 3.0890 3.1412 3.2360 3.3397 3.4402 3.5528 3.7800 3.7962 3.9024 3.9499 5.3763 5.3853 5.5737 5.5829 5.6944 5.6964 5.7285 5.7411 5.8066 5.8269 6.4330 6.4442 6.7923 6.8051 6.9137 6.9301 k = 0.0000 0.5770 0.3948 ( 12212 PWs) bands (ev): -52.6336 -52.6336 -52.6256 -52.6256 -29.3628 -29.3624 -29.3593 -29.3589 -28.7935 -28.7934 -28.7824 -28.7824 -28.5459 -28.5456 -28.4771 -28.4767 -8.0406 -8.0403 -7.7589 -7.7588 -7.6024 -7.6020 -7.5469 -7.5468 -7.4006 -7.4003 -7.2914 -7.2914 0.2071 0.2311 0.5085 0.5364 0.8711 0.9088 0.9586 1.0170 1.0655 1.0903 1.3831 1.4299 1.8347 1.9158 1.9440 1.9722 2.0085 2.1115 2.2800 2.3007 2.3975 2.4559 2.7277 2.7649 2.7840 2.8451 3.1288 3.1832 3.2518 3.3451 3.4428 3.5518 3.7728 3.7965 3.8844 3.9340 5.4160 5.4278 5.5791 5.5899 5.6889 5.6910 5.7235 5.7393 5.7954 5.8144 6.3932 6.4034 6.7945 6.8062 6.9314 6.9498 k = 0.0000 0.5770 0.4167 ( 12224 PWs) bands (ev): -52.6335 -52.6335 -52.6257 -52.6257 -29.3627 -29.3623 -29.3594 -29.3590 -28.7932 -28.7931 -28.7827 -28.7827 -28.5440 -28.5437 -28.4791 -28.4788 -8.0274 -8.0271 -7.7556 -7.7555 -7.6166 -7.6162 -7.5396 -7.5394 -7.4116 -7.4113 -7.2927 -7.2926 0.2155 0.2383 0.5005 0.5265 0.8801 0.9154 0.9594 1.0212 1.0582 1.0860 1.3456 1.3925 1.8482 1.9269 1.9501 1.9933 2.0192 2.1325 2.2700 2.2904 2.3880 2.4556 2.7206 2.7654 2.8199 2.8418 3.1550 3.2260 3.2701 3.3459 3.4572 3.5536 3.7616 3.7918 3.8667 3.9176 5.4506 5.4648 5.5860 5.5999 5.6848 5.6866 5.7196 5.7394 5.7841 5.8015 6.3536 6.3627 6.7992 6.8101 6.9487 6.9705 k = 0.0000 0.5770 0.4386 ( 12220 PWs) bands (ev): -52.6333 -52.6333 -52.6259 -52.6259 -29.3626 -29.3622 -29.3594 -29.3591 -28.7929 -28.7929 -28.7830 -28.7829 -28.5423 -28.5419 -28.4809 -28.4806 -8.0150 -8.0147 -7.7527 -7.7525 -7.6299 -7.6296 -7.5319 -7.5318 -7.4225 -7.4222 -7.2938 -7.2937 0.2243 0.2454 0.4914 0.5149 0.8897 0.9217 0.9650 1.0263 1.0516 1.0830 1.3106 1.3571 1.8623 1.9354 1.9561 1.9981 2.0466 2.1526 2.2591 2.2801 2.3822 2.4575 2.6848 2.7370 2.8520 2.8936 3.1649 3.2654 3.2814 3.3577 3.4791 3.5587 3.7464 3.7819 3.8504 3.9007 5.4787 5.4940 5.5957 5.6137 5.6815 5.6839 5.7170 5.7418 5.7733 5.7886 6.3153 6.3232 6.8069 6.8171 6.9631 6.9912 k = 0.0000 0.5770 0.4606 ( 12204 PWs) bands (ev): -52.6332 -52.6332 -52.6260 -52.6260 -29.3624 -29.3621 -29.3595 -29.3592 -28.7927 -28.7926 -28.7832 -28.7832 -28.5406 -28.5403 -28.4825 -28.4823 -8.0038 -8.0036 -7.7502 -7.7500 -7.6419 -7.6416 -7.5241 -7.5240 -7.4330 -7.4327 -7.2947 -7.2947 0.2331 0.2517 0.4824 0.5029 0.8989 0.9260 0.9761 1.0313 1.0457 1.0818 1.2790 1.3242 1.8769 1.9415 1.9615 1.9977 2.0784 2.1699 2.2478 2.2696 2.3828 2.4619 2.6478 2.6942 2.8963 2.9441 3.1623 3.2612 3.3169 3.3854 3.5044 3.5674 3.7274 3.7663 3.8364 3.8835 5.4993 5.5138 5.6087 5.6299 5.6788 5.6836 5.7161 5.7462 5.7638 5.7764 6.2798 6.2865 6.8175 6.8272 6.9685 7.0095 k = 0.0000 0.5770 0.4825 ( 12210 PWs) bands (ev): -52.6331 -52.6331 -52.6261 -52.6261 -29.3623 -29.3621 -29.3595 -29.3593 -28.7925 -28.7924 -28.7834 -28.7834 -28.5393 -28.5390 -28.4839 -28.4837 -7.9944 -7.9942 -7.7481 -7.7480 -7.6520 -7.6518 -7.5163 -7.5162 -7.4429 -7.4426 -7.2954 -7.2954 0.2415 0.2568 0.4746 0.4912 0.9073 0.9282 0.9912 1.0346 1.0416 1.0817 1.2528 1.2942 1.8915 1.9444 1.9668 1.9958 2.1101 2.1826 2.2369 2.2580 2.3921 2.4683 2.6122 2.6512 2.9399 2.9908 3.1518 3.2388 3.3573 3.4157 3.5305 3.5807 3.7051 3.7454 3.8263 3.8665 5.5134 5.5252 5.6240 5.6444 5.6768 5.6858 5.7167 5.7505 5.7572 5.7667 6.2487 6.2540 6.8311 6.8406 6.9580 6.9852 k = 0.0000 0.5770 0.5044 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3622 -29.3620 -29.3595 -29.3593 -28.7923 -28.7923 -28.7836 -28.7835 -28.5382 -28.5381 -28.4849 -28.4848 -7.9871 -7.9870 -7.7465 -7.7465 -7.6598 -7.6596 -7.5090 -7.5089 -7.4517 -7.4515 -7.2960 -7.2959 0.2492 0.2602 0.4691 0.4809 0.9145 0.9286 1.0069 1.0333 1.0434 1.0806 1.2345 1.2679 1.9054 1.9431 1.9726 1.9929 2.1403 2.1906 2.2272 2.2443 2.4106 2.4751 2.5802 2.6121 2.9806 3.0308 3.1380 3.2110 3.3931 3.4384 3.5563 3.5992 3.6806 3.7205 3.8209 3.8506 5.5224 5.5306 5.6387 5.6533 5.6760 5.6882 5.7187 5.7469 5.7568 5.7650 6.2241 6.2279 6.8475 6.8571 6.9365 6.9546 k = 0.0000 0.5770 0.5264 ( 12230 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3622 -29.3621 -29.3595 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5376 -28.5375 -28.4856 -28.4855 -7.9826 -7.9825 -7.7456 -7.7455 -7.6647 -7.6646 -7.5032 -7.5031 -7.4584 -7.4583 -7.2963 -7.2963 0.2553 0.2611 0.4668 0.4729 0.9203 0.9274 1.0187 1.0297 1.0518 1.0750 1.2273 1.2464 1.9183 1.9378 1.9785 1.9890 2.1672 2.1940 2.2199 2.2295 2.4356 2.4760 2.5589 2.5801 3.0167 3.0536 3.1326 3.1805 3.4218 3.4472 3.5829 3.6174 3.6598 3.6932 3.8209 3.8368 5.5281 5.5322 5.6502 5.6569 5.6773 5.6866 5.7227 5.7379 5.7616 5.7671 6.2085 6.2105 6.8666 6.8767 6.9126 6.9262 k = 0.0000 0.5770 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9810 -7.9810 -7.7452 -7.7452 -7.6663 -7.6663 -7.5008 -7.5008 -7.4610 -7.4610 -7.2964 -7.2964 0.2595 0.2595 0.4681 0.4681 0.9247 0.9247 1.0254 1.0254 1.0642 1.0642 1.2319 1.2319 1.9293 1.9293 1.9841 1.9841 2.1874 2.1874 2.2191 2.2191 2.4611 2.4611 2.5597 2.5597 3.0448 3.0448 3.1506 3.1506 3.4409 3.4409 3.6089 3.6089 3.6673 3.6673 3.8265 3.8265 5.5313 5.5313 5.6562 5.6562 5.6816 5.6816 5.7294 5.7294 5.7661 5.7661 6.2037 6.2037 6.8872 6.8872 6.9014 6.9014 k = 0.0000 0.5770 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9810 -7.9810 -7.7452 -7.7452 -7.6663 -7.6663 -7.5008 -7.5008 -7.4610 -7.4610 -7.2964 -7.2964 0.2595 0.2595 0.4681 0.4681 0.9247 0.9247 1.0254 1.0254 1.0642 1.0642 1.2319 1.2319 1.9293 1.9293 1.9841 1.9841 2.1874 2.1874 2.2191 2.2191 2.4611 2.4611 2.5597 2.5597 3.0448 3.0448 3.1506 3.1506 3.4409 3.4409 3.6089 3.6089 3.6673 3.6673 3.8265 3.8265 5.5313 5.5313 5.6562 5.6562 5.6816 5.6816 5.7294 5.7294 5.7661 5.7661 6.2037 6.2037 6.8872 6.8872 6.9014 6.9014 k = 0.0222 0.5770 0.5483 ( 12220 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9807 -7.9807 -7.7454 -7.7453 -7.6661 -7.6661 -7.5010 -7.5010 -7.4608 -7.4608 -7.2968 -7.2968 0.2604 0.2610 0.4690 0.4694 0.9218 0.9254 1.0233 1.0255 1.0621 1.0639 1.2303 1.2311 1.9300 1.9305 1.9846 1.9848 2.1873 2.1883 2.2178 2.2207 2.4572 2.4641 2.5579 2.5617 3.0449 3.0455 3.1497 3.1525 3.4392 3.4429 3.6084 3.6098 3.6673 3.6684 3.8264 3.8275 5.5315 5.5319 5.6558 5.6564 5.6814 5.6815 5.7287 5.7292 5.7658 5.7661 6.2037 6.2037 6.8875 6.8876 6.9016 6.9016 k = 0.0445 0.5770 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9800 -7.9800 -7.7457 -7.7457 -7.6655 -7.6655 -7.5015 -7.5015 -7.4603 -7.4603 -7.2981 -7.2981 0.2638 0.2650 0.4722 0.4730 0.9168 0.9241 1.0191 1.0237 1.0577 1.0613 1.2263 1.2278 1.9327 1.9335 1.9862 1.9866 2.1880 2.1899 2.2168 2.2224 2.4525 2.4658 2.5566 2.5638 3.0456 3.0468 3.1496 3.1552 3.4381 3.4453 3.6083 3.6112 3.6684 3.6704 3.8274 3.8295 5.5325 5.5332 5.6555 5.6566 5.6812 5.6813 5.7271 5.7281 5.7652 5.7657 6.2034 6.2035 6.8882 6.8885 6.9023 6.9023 k = 0.0667 0.5770 0.5483 ( 12214 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9788 -7.9787 -7.7463 -7.7462 -7.6646 -7.6646 -7.5024 -7.5024 -7.4593 -7.4593 -7.3003 -7.3003 0.2696 0.2714 0.4776 0.4789 0.9099 0.9208 1.0129 1.0201 1.0512 1.0564 1.2199 1.2223 1.9371 1.9381 1.9890 1.9892 2.1893 2.1923 2.2161 2.2244 2.4472 2.4662 2.5559 2.5659 3.0471 3.0486 3.1504 3.1586 3.4376 3.4478 3.6086 3.6129 3.6707 3.6735 3.8295 3.8326 5.5343 5.5353 5.6549 5.6566 5.6807 5.6810 5.7247 5.7263 5.7643 5.7650 6.2031 6.2032 6.8896 6.8900 6.9034 6.9034 k = 0.0889 0.5770 0.5483 ( 12206 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9771 -7.9770 -7.7471 -7.7470 -7.6633 -7.6633 -7.5036 -7.5035 -7.4580 -7.4580 -7.3032 -7.3032 0.2776 0.2800 0.4850 0.4867 0.9012 0.9157 1.0049 1.0147 1.0429 1.0495 1.2114 1.2147 1.9430 1.9438 1.9927 1.9931 2.1909 2.1951 2.2160 2.2267 2.4415 2.4652 2.5560 2.5679 3.0493 3.0509 3.1520 3.1626 3.4378 3.4503 3.6090 3.6149 3.6740 3.6773 3.8325 3.8366 5.5368 5.5382 5.6542 5.6565 5.6801 5.6805 5.7214 5.7237 5.7631 5.7639 6.2027 6.2028 6.8914 6.8920 6.9050 6.9051 k = 0.1112 0.5770 0.5483 ( 12208 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3595 -29.3595 -28.7922 -28.7922 -28.7836 -28.7836 -28.5373 -28.5373 -28.4858 -28.4858 -7.9749 -7.9749 -7.7482 -7.7481 -7.6616 -7.6616 -7.5050 -7.5049 -7.4563 -7.4563 -7.3069 -7.3069 0.2876 0.2907 0.4941 0.4964 0.8912 0.9090 0.9950 1.0079 1.0334 1.0410 1.2011 1.2052 1.9499 1.9503 1.9970 1.9986 2.1927 2.1982 2.2168 2.2295 2.4355 2.4627 2.5569 2.5698 3.0520 3.0535 3.1542 3.1669 3.4388 3.4527 3.6096 3.6168 3.6783 3.6817 3.8365 3.8414 5.5402 5.5419 5.6532 5.6561 5.6794 5.6799 5.7174 5.7204 5.7616 5.7626 6.2022 6.2023 6.8938 6.8946 6.9071 6.9074 k = 0.1334 0.5770 0.5483 ( 12214 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9724 -7.9723 -7.7496 -7.7495 -7.6598 -7.6597 -7.5065 -7.5065 -7.4543 -7.4542 -7.3112 -7.3112 0.2994 0.3032 0.5046 0.5075 0.8802 0.9012 0.9835 0.9999 1.0231 1.0313 1.1891 1.1943 1.9571 1.9577 2.0019 2.0051 2.1942 2.2013 2.2186 2.2329 2.4294 2.4588 2.5586 2.5716 3.0551 3.0563 3.1571 3.1715 3.4404 3.4549 3.6101 3.6186 3.6834 3.6867 3.8414 3.8470 5.5443 5.5463 5.6517 5.6553 5.6786 5.6792 5.7128 5.7165 5.7601 5.7610 6.2016 6.2018 6.8966 6.8977 6.9099 6.9103 k = 0.1557 0.5770 0.5483 ( 12220 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9695 -7.9694 -7.7513 -7.7512 -7.6577 -7.6576 -7.5081 -7.5081 -7.4519 -7.4519 -7.3161 -7.3161 0.3126 0.3170 0.5162 0.5197 0.8687 0.8926 0.9706 0.9909 1.0127 1.0208 1.1759 1.1820 1.9639 1.9657 2.0074 2.0126 2.1954 2.2041 2.2216 2.2368 2.4233 2.4538 2.5609 2.5734 3.0585 3.0592 3.1603 3.1759 3.4427 3.4569 3.6105 3.6202 3.6889 3.6919 3.8470 3.8532 5.5492 5.5515 5.6498 5.6539 5.6777 5.6785 5.7079 5.7123 5.7583 5.7592 6.2011 6.2013 6.8999 6.9014 6.9133 6.9140 k = 0.1779 0.5770 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9663 -7.9663 -7.7533 -7.7532 -7.6555 -7.6554 -7.5097 -7.5097 -7.4493 -7.4492 -7.3215 -7.3215 0.3267 0.3318 0.5282 0.5324 0.8572 0.8838 0.9565 0.9811 1.0029 1.0102 1.1617 1.1687 1.9706 1.9737 2.0132 2.0206 2.1964 2.2064 2.2255 2.2414 2.4173 2.4478 2.5637 2.5751 3.0620 3.0621 3.1637 3.1800 3.4456 3.4587 3.6107 3.6212 3.6946 3.6971 3.8533 3.8598 5.5549 5.5574 5.6474 5.6517 5.6768 5.6776 5.7028 5.7077 5.7565 5.7573 6.2006 6.2007 6.9037 6.9054 6.9175 6.9183 k = 0.2001 0.5770 0.5483 ( 12220 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9629 -7.9629 -7.7556 -7.7555 -7.6532 -7.6532 -7.5112 -7.5112 -7.4464 -7.4463 -7.3271 -7.3271 0.3414 0.3470 0.5401 0.5450 0.8464 0.8753 0.9419 0.9707 0.9944 1.0006 1.1469 1.1546 1.9770 1.9813 2.0192 2.0286 2.1973 2.2081 2.2302 2.2463 2.4116 2.4410 2.5669 2.5768 3.0650 3.0656 3.1673 3.1834 3.4489 3.4603 3.6107 3.6217 3.7002 3.7020 3.8600 3.8665 5.5612 5.5640 5.6444 5.6487 5.6757 5.6765 5.6979 5.7032 5.7547 5.7553 6.2002 6.2003 6.9078 6.9099 6.9224 6.9235 k = 0.2224 0.5770 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9594 -7.9594 -7.7583 -7.7582 -7.6510 -7.6510 -7.5125 -7.5125 -7.4432 -7.4432 -7.3329 -7.3329 0.3559 0.3618 0.5513 0.5566 0.8369 0.8676 0.9271 0.9596 0.9879 0.9930 1.1319 1.1401 1.9830 1.9883 2.0251 2.0360 2.1985 2.2095 2.2353 2.2511 2.4063 2.4336 2.5704 2.5786 3.0678 3.0689 3.1707 3.1860 3.4527 3.4617 3.6104 3.6215 3.7052 3.7065 3.8668 3.8730 5.5682 5.5712 5.6410 5.6449 5.6743 5.6750 5.6937 5.6990 5.7528 5.7533 6.1999 6.2000 6.9122 6.9146 6.9281 6.9293 k = 0.2446 0.5770 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9559 -7.9559 -7.7612 -7.7610 -7.6490 -7.6490 -7.5135 -7.5135 -7.4399 -7.4399 -7.3386 -7.3386 0.3696 0.3755 0.5610 0.5665 0.8294 0.8609 0.9134 0.9480 0.9841 0.9884 1.1169 1.1254 1.9886 1.9945 2.0308 2.0423 2.2002 2.2104 2.2405 2.2555 2.4016 2.4258 2.5741 2.5804 3.0705 3.0721 3.1738 3.1875 3.4566 3.4632 3.6098 3.6205 3.7095 3.7102 3.8734 3.8789 5.5757 5.5788 5.6373 5.6403 5.6723 5.6730 5.6904 5.6952 5.7511 5.7515 6.1997 6.1998 6.9169 6.9195 6.9344 6.9358 k = 0.2668 0.5770 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9526 -7.9525 -7.7642 -7.7641 -7.6473 -7.6473 -7.5141 -7.5141 -7.4365 -7.4365 -7.3441 -7.3441 0.3818 0.3872 0.5687 0.5738 0.8243 0.8545 0.9025 0.9362 0.9837 0.9875 1.1027 1.1108 1.9937 1.9995 2.0360 2.0470 2.2025 2.2112 2.2457 2.2589 2.3978 2.4176 2.5778 2.5824 3.0730 3.0748 3.1765 3.1878 3.4607 3.4647 3.6091 3.6186 3.7126 3.7129 3.8794 3.8840 5.5835 5.5867 5.6336 5.6354 5.6698 5.6704 5.6882 5.6921 5.7495 5.7497 6.1997 6.1998 6.9216 6.9242 6.9413 6.9426 k = 0.2891 0.5770 0.5483 ( 12202 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9495 -7.9495 -7.7673 -7.7672 -7.6462 -7.6461 -7.5144 -7.5143 -7.4330 -7.4330 -7.3490 -7.3490 0.3918 0.3960 0.5740 0.5780 0.8219 0.8465 0.8974 0.9251 0.9868 0.9902 1.0899 1.0970 1.9981 2.0031 2.0406 2.0496 2.2055 2.2119 2.2506 2.2608 2.3950 2.4094 2.5816 2.5844 3.0755 3.0772 3.1786 3.1868 3.4646 3.4665 3.6081 3.6156 3.7144 3.7144 3.8846 3.8880 5.5912 5.5943 5.6303 5.6308 5.6668 5.6673 5.6869 5.6896 5.7481 5.7483 6.1999 6.1999 6.9260 6.9282 6.9485 6.9496 k = 0.3113 0.5770 0.5483 ( 12196 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9470 -7.9469 -7.7702 -7.7702 -7.6456 -7.6456 -7.5141 -7.5141 -7.4296 -7.4296 -7.3532 -7.3532 0.3991 0.4015 0.5765 0.5787 0.8216 0.8354 0.9003 0.9160 0.9932 0.9955 1.0800 1.0847 2.0015 2.0046 2.0447 2.0500 2.2092 2.2125 2.2551 2.2610 2.3936 2.4013 2.5852 2.5865 3.0779 3.0789 3.1801 3.1845 3.4682 3.4686 3.6070 3.6114 3.7145 3.7146 3.8888 3.8907 5.5980 5.6003 5.6279 5.6284 5.6638 5.6640 5.6862 5.6877 5.7470 5.7471 6.2003 6.2003 6.9292 6.9306 6.9557 6.9565 k = 0.3335 0.5770 0.5483 ( 12182 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9451 -7.9451 -7.7729 -7.7729 -7.6459 -7.6459 -7.5133 -7.5133 -7.4262 -7.4262 -7.3563 -7.3563 0.4033 0.4033 0.5762 0.5762 0.8219 0.8219 0.9106 0.9106 1.0012 1.0012 1.0758 1.0758 2.0034 2.0034 2.0483 2.0483 2.2131 2.2131 2.2592 2.2592 2.3936 2.3936 2.5888 2.5888 3.0801 3.0801 3.1808 3.1808 3.4712 3.4712 3.6059 3.6059 3.7131 3.7131 3.8918 3.8918 5.6027 5.6027 5.6289 5.6289 5.6608 5.6608 5.6862 5.6862 5.7464 5.7464 6.2008 6.2008 6.9306 6.9306 6.9626 6.9626 k = 0.3335 0.5770 0.5483 ( 12182 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9451 -7.9451 -7.7729 -7.7729 -7.6459 -7.6459 -7.5133 -7.5133 -7.4262 -7.4262 -7.3563 -7.3563 0.4033 0.4033 0.5762 0.5762 0.8219 0.8219 0.9106 0.9106 1.0012 1.0012 1.0758 1.0758 2.0034 2.0034 2.0483 2.0483 2.2131 2.2131 2.2592 2.2592 2.3936 2.3936 2.5888 2.5888 3.0801 3.0801 3.1808 3.1808 3.4712 3.4712 3.6059 3.6059 3.7131 3.7131 3.8918 3.8918 5.6027 5.6027 5.6289 5.6289 5.6608 5.6608 5.6862 5.6862 5.7464 5.7464 6.2008 6.2008 6.9306 6.9306 6.9626 6.9626 k = 0.3224 0.5578 0.5483 ( 12192 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9482 -7.9482 -7.7680 -7.7680 -7.6450 -7.6450 -7.5150 -7.5150 -7.4323 -7.4323 -7.3511 -7.3511 0.3990 0.3990 0.5802 0.5802 0.8348 0.8348 0.9033 0.9033 0.9892 0.9892 1.0848 1.0848 2.0033 2.0033 2.0477 2.0477 2.2090 2.2090 2.2572 2.2572 2.4005 2.4005 2.5830 2.5830 3.0769 3.0769 3.1841 3.1841 3.4654 3.4654 3.6129 3.6129 3.7173 3.7173 3.8881 3.8881 5.5991 5.5991 5.6237 5.6237 5.6665 5.6665 5.6877 5.6877 5.7479 5.7479 6.1997 6.1997 6.9305 6.9305 6.9509 6.9509 k = 0.3113 0.5385 0.5483 ( 12204 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9521 -7.9521 -7.7629 -7.7629 -7.6454 -7.6454 -7.5161 -7.5161 -7.4371 -7.4371 -7.3457 -7.3457 0.3922 0.3922 0.5813 0.5813 0.8402 0.8402 0.9068 0.9068 0.9787 0.9787 1.0988 1.0988 1.9984 1.9984 2.0478 2.0478 2.2060 2.2060 2.2534 2.2534 2.4078 2.4078 2.5773 2.5773 3.0732 3.0732 3.1862 3.1862 3.4589 3.4589 3.6191 3.6191 3.7207 3.7207 3.8828 3.8828 5.5954 5.5954 5.6191 5.6191 5.6715 5.6715 5.6902 5.6902 5.7505 5.7505 6.1985 6.1985 6.9271 6.9271 6.9413 6.9413 k = 0.3002 0.5193 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9566 -7.9566 -7.7576 -7.7576 -7.6472 -7.6472 -7.5165 -7.5165 -7.4405 -7.4405 -7.3401 -7.3401 0.3835 0.3835 0.5798 0.5798 0.8357 0.8357 0.9204 0.9204 0.9726 0.9726 1.1171 1.1171 1.9882 1.9882 2.0486 2.0486 2.2041 2.2041 2.2483 2.2483 2.4151 2.4151 2.5717 2.5717 3.0692 3.0692 3.1869 3.1869 3.4516 3.4516 3.6245 3.6245 3.7233 3.7233 3.8762 3.8762 5.5917 5.5917 5.6150 5.6150 5.6756 5.6756 5.6938 5.6938 5.7542 5.7542 6.1971 6.1971 6.9205 6.9205 6.9348 6.9348 k = 0.2891 0.5001 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9619 -7.9619 -7.7523 -7.7523 -7.6506 -7.6506 -7.5160 -7.5160 -7.4423 -7.4423 -7.3344 -7.3344 0.3736 0.3736 0.5762 0.5762 0.8262 0.8262 0.9296 0.9296 0.9797 0.9797 1.1393 1.1393 1.9728 1.9728 2.0491 2.0491 2.2031 2.2031 2.2426 2.2426 2.4225 2.4225 2.5664 2.5664 3.0647 3.0647 3.1861 3.1861 3.4436 3.4436 3.6286 3.6286 3.7254 3.7254 3.8689 3.8689 5.5881 5.5881 5.6116 5.6116 5.6788 5.6788 5.6982 5.6982 5.7591 5.7591 6.1956 6.1956 6.9130 6.9130 6.9308 6.9308 k = 0.2780 0.4808 0.5483 ( 12208 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9680 -7.9680 -7.7468 -7.7468 -7.6556 -7.6556 -7.5148 -7.5148 -7.4425 -7.4425 -7.3285 -7.3285 0.3632 0.3632 0.5711 0.5711 0.8154 0.8154 0.9269 0.9269 1.0036 1.0036 1.1644 1.1644 1.9531 1.9531 2.0478 2.0478 2.2023 2.2023 2.2379 2.2379 2.4296 2.4296 2.5614 2.5614 3.0597 3.0597 3.1837 3.1837 3.4349 3.4349 3.6311 3.6311 3.7272 3.7272 3.8615 3.8615 5.5845 5.5845 5.6092 5.6092 5.6815 5.6815 5.7031 5.7031 5.7648 5.7648 6.1936 6.1936 6.9066 6.9066 6.9283 6.9283 k = 0.2668 0.4616 0.5483 ( 12194 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9746 -7.9746 -7.7413 -7.7413 -7.6621 -7.6621 -7.5129 -7.5129 -7.4410 -7.4410 -7.3226 -7.3226 0.3527 0.3527 0.5650 0.5650 0.8046 0.8046 0.9198 0.9198 1.0349 1.0349 1.1917 1.1917 1.9296 1.9296 2.0432 2.0432 2.2011 2.2011 2.2353 2.2353 2.4363 2.4363 2.5569 2.5569 3.0538 3.0538 3.1794 3.1794 3.4257 3.4257 3.6314 3.6314 3.7291 3.7291 3.8550 3.8550 5.5807 5.5807 5.6080 5.6080 5.6839 5.6839 5.7081 5.7081 5.7713 5.7713 6.1913 6.1913 6.9023 6.9023 6.9275 6.9275 k = 0.2557 0.4424 0.5483 ( 12182 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9819 -7.9819 -7.7357 -7.7357 -7.6699 -7.6699 -7.5102 -7.5102 -7.4381 -7.4381 -7.3167 -7.3167 0.3426 0.3426 0.5585 0.5585 0.7944 0.7944 0.9119 0.9119 1.0687 1.0687 1.2206 1.2206 1.9027 1.9027 2.0340 2.0340 2.1996 2.1996 2.2359 2.2359 2.4426 2.4426 2.5530 2.5530 3.0466 3.0466 3.1733 3.1733 3.4163 3.4163 3.6293 3.6293 3.7314 3.7314 3.8501 3.8501 5.5766 5.5766 5.6082 5.6082 5.6863 5.6863 5.7133 5.7133 5.7781 5.7781 6.1883 6.1883 6.9006 6.9006 6.9285 6.9285 k = 0.2446 0.4231 0.5483 ( 12202 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9898 -7.9898 -7.7301 -7.7301 -7.6789 -7.6789 -7.5069 -7.5069 -7.4338 -7.4338 -7.3107 -7.3107 0.3333 0.3333 0.5521 0.5521 0.7850 0.7850 0.9044 0.9044 1.1033 1.1033 1.2506 1.2506 1.8729 1.8729 2.0192 2.0192 2.1987 2.1987 2.2392 2.2392 2.4482 2.4482 2.5497 2.5497 3.0377 3.0377 3.1653 3.1653 3.4070 3.4070 3.6249 3.6249 3.7346 3.7346 3.8477 3.8477 5.5721 5.5721 5.6099 5.6099 5.6888 5.6888 5.7187 5.7187 5.7849 5.7849 6.1848 6.1848 6.9017 6.9017 6.9316 6.9316 k = 0.2335 0.4039 0.5483 ( 12202 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9981 -7.9981 -7.7245 -7.7245 -7.6888 -7.6888 -7.5029 -7.5029 -7.4285 -7.4285 -7.3047 -7.3047 0.3250 0.3250 0.5461 0.5461 0.7767 0.7767 0.8977 0.8977 1.1376 1.1376 1.2810 1.2810 1.8406 1.8406 1.9987 1.9987 2.1992 2.1992 2.2446 2.2446 2.4530 2.4530 2.5471 2.5471 3.0264 3.0264 3.1556 3.1556 3.3981 3.3981 3.6186 3.6186 3.7386 3.7386 3.8483 3.8483 5.5672 5.5672 5.6128 5.6128 5.6914 5.6914 5.7243 5.7243 5.7915 5.7915 6.1804 6.1804 6.9060 6.9060 6.9369 6.9369 k = 0.2224 0.3847 0.5483 ( 12214 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -8.0068 -8.0068 -7.7189 -7.7189 -7.6994 -7.6994 -7.4984 -7.4984 -7.4224 -7.4224 -7.2988 -7.2988 0.3180 0.3180 0.5410 0.5410 0.7694 0.7694 0.8920 0.8920 1.1708 1.1708 1.3115 1.3115 1.8060 1.8060 1.9729 1.9729 2.2012 2.2012 2.2514 2.2514 2.4568 2.4568 2.5453 2.5453 3.0118 3.0118 3.1442 3.1442 3.3900 3.3900 3.6115 3.6115 3.7435 3.7435 3.8520 3.8520 5.5621 5.5621 5.6167 5.6167 5.6941 5.6941 5.7302 5.7302 5.7977 5.7977 6.1752 6.1752 6.9135 6.9135 6.9446 6.9446 k = 0.2112 0.3654 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -8.0157 -8.0157 -7.7135 -7.7135 -7.7104 -7.7104 -7.4934 -7.4934 -7.4155 -7.4155 -7.2930 -7.2930 0.3125 0.3125 0.5370 0.5370 0.7633 0.7633 0.8873 0.8873 1.2024 1.2024 1.3416 1.3416 1.7696 1.7696 1.9427 1.9427 2.2044 2.2044 2.2591 2.2591 2.4594 2.4594 2.5444 2.5444 2.9935 2.9935 3.1311 3.1311 3.3829 3.3829 3.6049 3.6049 3.7490 3.7490 3.8587 3.8587 5.5568 5.5568 5.6216 5.6216 5.6969 5.6969 5.7362 5.7362 5.8032 5.8032 6.1691 6.1691 6.9243 6.9243 6.9547 6.9547 k = 0.2001 0.3462 0.5483 ( 12240 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4858 -28.4858 -8.0248 -8.0248 -7.7218 -7.7218 -7.7080 -7.7080 -7.4881 -7.4881 -7.4083 -7.4083 -7.2872 -7.2872 0.3086 0.3086 0.5342 0.5342 0.7583 0.7583 0.8837 0.8837 1.2317 1.2317 1.3710 1.3710 1.7320 1.7320 1.9091 1.9091 2.2082 2.2082 2.2676 2.2676 2.4607 2.4607 2.5445 2.5445 2.9712 2.9712 3.1160 3.1160 3.3774 3.3774 3.6000 3.6000 3.7552 3.7552 3.8682 3.8682 5.5515 5.5515 5.6271 5.6271 5.7000 5.7000 5.7423 5.7423 5.8080 5.8080 6.1621 6.1621 6.9382 6.9382 6.9671 6.9671 k = 0.1890 0.3270 0.5483 ( 12236 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0340 -8.0340 -7.7331 -7.7331 -7.7028 -7.7028 -7.4824 -7.4824 -7.4007 -7.4007 -7.2816 -7.2816 0.3065 0.3065 0.5330 0.5330 0.7543 0.7543 0.8812 0.8812 1.2584 1.2584 1.3992 1.3992 1.6936 1.6936 1.8730 1.8730 2.2124 2.2124 2.2766 2.2766 2.4605 2.4605 2.5455 2.5455 2.9452 2.9452 3.0985 3.0985 3.3742 3.3742 3.5977 3.5977 3.7620 3.7620 3.8801 3.8801 5.5462 5.5462 5.6331 5.6331 5.7033 5.7033 5.7485 5.7485 5.8118 5.8118 6.1542 6.1542 6.9553 6.9553 6.9818 6.9818 k = 0.1779 0.3077 0.5483 ( 12244 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4857 -28.4857 -8.0432 -8.0432 -7.7444 -7.7444 -7.6976 -7.6976 -7.4766 -7.4766 -7.3929 -7.3929 -7.2761 -7.2761 0.3062 0.3062 0.5333 0.5333 0.7513 0.7513 0.8796 0.8796 1.2820 1.2820 1.4252 1.4252 1.6555 1.6555 1.8353 1.8353 2.2167 2.2167 2.2857 2.2857 2.4590 2.4590 2.5472 2.5472 2.9162 2.9162 3.0779 3.0779 3.3738 3.3738 3.5982 3.5982 3.7692 3.7692 3.8940 3.8940 5.5410 5.5410 5.6394 5.6394 5.7068 5.7068 5.7547 5.7547 5.8148 5.8148 6.1453 6.1453 6.9752 6.9752 6.9987 6.9987 k = 0.1668 0.2885 0.5483 ( 12230 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -8.0523 -8.0523 -7.7556 -7.7556 -7.6927 -7.6927 -7.4706 -7.4706 -7.3851 -7.3851 -7.2708 -7.2708 0.3078 0.3078 0.5354 0.5354 0.7492 0.7492 0.8789 0.8789 1.3019 1.3019 1.4479 1.4479 1.6191 1.6191 1.7972 1.7972 2.2208 2.2208 2.2947 2.2947 2.4562 2.4562 2.5493 2.5493 2.8849 2.8849 3.0540 3.0540 3.3765 3.3765 3.6017 3.6017 3.7770 3.7770 3.9097 3.9097 5.5359 5.5359 5.6458 5.6458 5.7105 5.7105 5.7607 5.7607 5.8169 5.8169 6.1356 6.1356 6.9975 6.9975 7.0177 7.0177 k = 0.1557 0.2693 0.5483 ( 12236 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0612 -8.0612 -7.7664 -7.7664 -7.6879 -7.6879 -7.4647 -7.4647 -7.3773 -7.3773 -7.2657 -7.2657 0.3113 0.3113 0.5392 0.5392 0.7478 0.7478 0.8791 0.8791 1.3176 1.3176 1.4642 1.4642 1.5872 1.5872 1.7602 1.7602 2.2246 2.2246 2.3034 2.3034 2.4525 2.4525 2.5515 2.5515 2.8523 2.8523 3.0270 3.0270 3.3823 3.3823 3.6079 3.6079 3.7852 3.7852 3.9268 3.9268 5.5310 5.5310 5.6523 5.6523 5.7146 5.7146 5.7664 5.7664 5.8182 5.8182 6.1250 6.1250 7.0219 7.0219 7.0386 7.0386 k = 0.1445 0.2500 0.5483 ( 12244 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4857 -28.4857 -8.0698 -8.0698 -7.7768 -7.7768 -7.6834 -7.6834 -7.4587 -7.4587 -7.3697 -7.3697 -7.2608 -7.2608 0.3168 0.3168 0.5449 0.5449 0.7469 0.7469 0.8799 0.8799 1.3279 1.3279 1.4691 1.4691 1.5648 1.5648 1.7262 1.7262 2.2280 2.2280 2.3115 2.3115 2.4481 2.4481 2.5534 2.5534 2.8195 2.8195 2.9974 2.9974 3.3911 3.3911 3.6162 3.6162 3.7937 3.7937 3.9451 3.9451 5.5263 5.5263 5.6586 5.6586 5.7189 5.7189 5.7718 5.7718 5.8188 5.8188 6.1138 6.1138 7.0476 7.0476 7.0615 7.0615 k = 0.1334 0.2308 0.5483 ( 12238 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4857 -28.4857 -8.0781 -8.0781 -7.7868 -7.7868 -7.6790 -7.6790 -7.4529 -7.4529 -7.3624 -7.3624 -7.2562 -7.2562 0.3242 0.3242 0.5524 0.5524 0.7463 0.7463 0.8812 0.8812 1.3313 1.3313 1.4593 1.4593 1.5543 1.5543 1.6986 1.6986 2.2310 2.2310 2.3187 2.3187 2.4433 2.4433 2.5544 2.5544 2.7875 2.7875 2.9660 2.9660 3.4021 3.4021 3.6262 3.6262 3.8025 3.8025 3.9642 3.9642 5.5219 5.5219 5.6648 5.6648 5.7234 5.7234 5.7767 5.7767 5.8188 5.8188 6.1019 6.1019 7.0736 7.0736 7.0866 7.0866 k = 0.1223 0.2116 0.5483 ( 12262 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4858 -28.4858 -8.0859 -8.0859 -7.7962 -7.7962 -7.6750 -7.6750 -7.4473 -7.4473 -7.3554 -7.3554 -7.2519 -7.2519 0.3336 0.3336 0.5617 0.5617 0.7457 0.7457 0.8827 0.8827 1.3259 1.3259 1.4415 1.4415 1.5481 1.5481 1.6814 1.6814 2.2335 2.2335 2.3248 2.3248 2.4385 2.4385 2.5540 2.5540 2.7575 2.7575 2.9336 2.9336 3.4148 3.4148 3.6373 3.6373 3.8115 3.8115 3.9839 3.9839 5.5178 5.5178 5.6706 5.6706 5.7281 5.7281 5.7809 5.7809 5.8185 5.8185 6.0896 6.0896 7.0991 7.0991 7.1139 7.1139 k = 0.1112 0.1923 0.5483 ( 12268 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4858 -28.4858 -8.0933 -8.0933 -7.8050 -7.8050 -7.6712 -7.6712 -7.4420 -7.4420 -7.3487 -7.3487 -7.2479 -7.2479 0.3447 0.3447 0.5726 0.5726 0.7448 0.7448 0.8843 0.8843 1.3111 1.3111 1.4226 1.4226 1.5389 1.5389 1.6765 1.6765 2.2355 2.2355 2.3294 2.3294 2.4342 2.4342 2.5517 2.5517 2.7306 2.7306 2.9012 2.9012 3.4286 3.4286 3.6490 3.6490 3.8206 3.8206 4.0039 4.0039 5.5140 5.5140 5.6762 5.6762 5.7329 5.7329 5.7842 5.7842 5.8180 5.8180 6.0769 6.0769 7.1237 7.1237 7.1427 7.1427 k = 0.1001 0.1731 0.5483 ( 12260 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1001 -8.1001 -7.8131 -7.8131 -7.6677 -7.6677 -7.4370 -7.4370 -7.3426 -7.3426 -7.2442 -7.2442 0.3575 0.3575 0.5851 0.5851 0.7432 0.7432 0.8857 0.8857 1.2891 1.2891 1.4030 1.4030 1.5280 1.5280 1.6810 1.6810 2.2370 2.2370 2.3321 2.3321 2.4307 2.4307 2.5468 2.5468 2.7078 2.7078 2.8694 2.8694 3.4427 3.4427 3.6608 3.6608 3.8296 3.8296 4.0237 4.0237 5.5105 5.5105 5.6813 5.6813 5.7379 5.7379 5.7866 5.7866 5.8178 5.8178 6.0641 6.0641 7.1477 7.1477 7.1718 7.1718 k = 0.0889 0.1539 0.5483 ( 12264 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1064 -8.1064 -7.8204 -7.8204 -7.6646 -7.6646 -7.4323 -7.4323 -7.3369 -7.3369 -7.2408 -7.2408 0.3718 0.3718 0.5990 0.5990 0.7406 0.7406 0.8865 0.8865 1.2637 1.2637 1.3808 1.3808 1.5195 1.5195 1.6903 1.6903 2.2380 2.2380 2.3326 2.3326 2.4286 2.4286 2.5394 2.5394 2.6896 2.6896 2.8391 2.8391 3.4567 3.4567 3.6724 3.6724 3.8383 3.8383 4.0431 4.0431 5.5074 5.5074 5.6861 5.6861 5.7428 5.7428 5.7879 5.7879 5.8180 5.8180 6.0513 6.0513 7.1707 7.1707 7.2004 7.2004 k = 0.0778 0.1346 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1120 -8.1120 -7.8270 -7.8270 -7.6618 -7.6618 -7.4281 -7.4281 -7.3318 -7.3318 -7.2378 -7.2378 0.3873 0.3873 0.6140 0.6140 0.7368 0.7368 0.8865 0.8865 1.2380 1.2380 1.3561 1.3561 1.5145 1.5145 1.7014 1.7014 2.2386 2.2386 2.3310 2.3310 2.4279 2.4279 2.5299 2.5299 2.6759 2.6759 2.8108 2.8108 3.4701 3.4701 3.6833 3.6833 3.8467 3.8467 4.0615 4.0615 5.5047 5.5047 5.6903 5.6903 5.7476 5.7476 5.7881 5.7881 5.8187 5.8187 6.0389 6.0389 7.1924 7.1924 7.2277 7.2277 k = 0.0667 0.1154 0.5483 ( 12268 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1170 -8.1170 -7.8328 -7.8328 -7.6593 -7.6593 -7.4244 -7.4244 -7.3273 -7.3273 -7.2352 -7.2352 0.4036 0.4036 0.6296 0.6296 0.7315 0.7315 0.8856 0.8856 1.2137 1.2137 1.3304 1.3304 1.5123 1.5123 1.7124 1.7124 2.2388 2.2388 2.3274 2.3274 2.4287 2.4287 2.5192 2.5192 2.6659 2.6659 2.7854 2.7854 3.4824 3.4824 3.6933 3.6933 3.8545 3.8545 4.0787 4.0787 5.5023 5.5023 5.6941 5.6941 5.7522 5.7522 5.7877 5.7877 5.8198 5.8198 6.0271 6.0271 7.2123 7.2123 7.2527 7.2527 k = 0.0556 0.0962 0.5483 ( 12272 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1212 -8.1212 -7.8378 -7.8378 -7.6572 -7.6572 -7.4211 -7.4211 -7.3234 -7.3234 -7.2329 -7.2329 0.4203 0.4203 0.6453 0.6453 0.7249 0.7249 0.8836 0.8836 1.1922 1.1922 1.3059 1.3059 1.5118 1.5118 1.7226 1.7226 2.2387 2.2387 2.3225 2.3225 2.4304 2.4304 2.5088 2.5088 2.6586 2.6586 2.7633 2.7633 3.4933 3.4933 3.7022 3.7022 3.8616 3.8616 4.0940 4.0940 5.5003 5.5003 5.6973 5.6973 5.7564 5.7564 5.7870 5.7870 5.8211 5.8211 6.0161 6.0161 7.2301 7.2301 7.2736 7.2736 k = 0.0445 0.0769 0.5483 ( 12276 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1247 -8.1247 -7.8418 -7.8418 -7.6554 -7.6554 -7.4184 -7.4184 -7.3202 -7.3202 -7.2311 -7.2311 0.4366 0.4366 0.6602 0.6602 0.7175 0.7175 0.8805 0.8805 1.1741 1.1741 1.2840 1.2840 1.5122 1.5122 1.7313 1.7313 2.2384 2.2384 2.3171 2.3171 2.4327 2.4327 2.4994 2.4994 2.6529 2.6529 2.7451 2.7451 3.5026 3.5026 3.7097 3.7097 3.8677 3.8677 4.1073 4.1073 5.4986 5.4986 5.7000 5.7000 5.7598 5.7598 5.7863 5.7863 5.8223 5.8223 6.0064 6.0064 7.2451 7.2451 7.2855 7.2855 k = 0.0334 0.0577 0.5483 ( 12264 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1275 -8.1275 -7.8450 -7.8450 -7.6541 -7.6541 -7.4163 -7.4163 -7.3176 -7.3176 -7.2296 -7.2296 0.4515 0.4515 0.6727 0.6727 0.7107 0.7107 0.8767 0.8767 1.1598 1.1598 1.2661 1.2661 1.5128 1.5128 1.7384 1.7384 2.2380 2.2380 2.3118 2.3118 2.4351 2.4351 2.4919 2.4919 2.6482 2.6482 2.7312 2.7312 3.5099 3.5099 3.7157 3.7157 3.8727 3.8727 4.1180 4.1180 5.4973 5.4973 5.7021 5.7021 5.7624 5.7624 5.7860 5.7860 5.8235 5.8235 5.9983 5.9983 7.2572 7.2572 7.2916 7.2916 k = 0.0222 0.0385 0.5483 ( 12268 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1295 -8.1295 -7.8473 -7.8473 -7.6531 -7.6531 -7.4148 -7.4148 -7.3158 -7.3158 -7.2286 -7.2286 0.4639 0.4639 0.6804 0.6804 0.7069 0.7069 0.8729 0.8729 1.1494 1.1494 1.2528 1.2528 1.5135 1.5135 1.7435 1.7435 2.2376 2.2376 2.3075 2.3075 2.4371 2.4371 2.4865 2.4865 2.6444 2.6444 2.7215 2.7215 3.5153 3.5153 3.7201 3.7201 3.8764 3.8764 4.1258 4.1258 5.4964 5.4964 5.7036 5.7036 5.7641 5.7641 5.7860 5.7860 5.8243 5.8243 5.9922 5.9922 7.2658 7.2658 7.2956 7.2956 k = 0.0111 0.0192 0.5483 ( 12260 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1306 -8.1306 -7.8487 -7.8487 -7.6525 -7.6525 -7.4139 -7.4139 -7.3147 -7.3147 -7.2279 -7.2279 0.4722 0.4722 0.6820 0.6820 0.7076 0.7076 0.8700 0.8700 1.1431 1.1431 1.2447 1.2447 1.5139 1.5139 1.7467 1.7467 2.2374 2.2374 2.3047 2.3047 2.4384 2.4384 2.4832 2.4832 2.6419 2.6419 2.7159 2.7159 3.5186 3.5186 3.7227 3.7227 3.8786 3.8786 4.1307 4.1307 5.4959 5.4959 5.7046 5.7046 5.7650 5.7650 5.7862 5.7862 5.8249 5.8249 5.9884 5.9884 7.2710 7.2710 7.2981 7.2981 k = 0.0000 0.0000 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1310 -8.1310 -7.8492 -7.8492 -7.6523 -7.6523 -7.4135 -7.4135 -7.3143 -7.3143 -7.2277 -7.2277 0.4751 0.4751 0.6817 0.6817 0.7086 0.7086 0.8689 0.8689 1.1410 1.1410 1.2420 1.2420 1.5141 1.5141 1.7477 1.7477 2.2373 2.2373 2.3037 2.3037 2.4389 2.4389 2.4822 2.4822 2.6410 2.6410 2.7141 2.7141 3.5196 3.5196 3.7236 3.7236 3.8794 3.8794 4.1323 4.1323 5.4957 5.4957 5.7049 5.7049 5.7652 5.7652 5.7863 5.7863 5.8251 5.8251 5.9871 5.9871 7.2728 7.2728 7.2990 7.2990 k = 0.0000 0.0000 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1310 -8.1310 -7.8492 -7.8492 -7.6523 -7.6523 -7.4135 -7.4135 -7.3143 -7.3143 -7.2277 -7.2277 0.4751 0.4751 0.6817 0.6817 0.7086 0.7086 0.8689 0.8689 1.1410 1.1410 1.2420 1.2420 1.5141 1.5141 1.7477 1.7477 2.2373 2.2373 2.3037 2.3037 2.4389 2.4389 2.4822 2.4822 2.6410 2.6410 2.7141 2.7141 3.5196 3.5196 3.7236 3.7236 3.8794 3.8794 4.1323 4.1323 5.4957 5.4957 5.7049 5.7049 5.7652 5.7652 5.7863 5.7863 5.8251 5.8251 5.9871 5.9871 7.2728 7.2728 7.2990 7.2990 k = 0.0000 0.0000 0.5264 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3596 -29.3595 -28.7923 -28.7923 -28.7837 -28.7836 -28.5376 -28.5375 -28.4856 -28.4856 -8.1336 -8.1335 -7.8465 -7.8464 -7.6523 -7.6523 -7.4135 -7.4135 -7.3143 -7.3143 -7.2277 -7.2277 0.4679 0.4724 0.6725 0.6868 0.7045 0.7243 0.8657 0.8757 1.1341 1.1477 1.2433 1.2438 1.4713 1.5047 1.7506 1.8004 2.2250 2.2448 2.2868 2.3216 2.4319 2.4410 2.4833 2.4850 2.6249 2.6579 2.6903 2.7459 3.5068 3.5209 3.7196 3.7313 3.8733 3.8734 4.1359 4.1384 5.4875 5.4922 5.7023 5.7073 5.7567 5.7699 5.7864 5.7912 5.8245 5.8285 5.9911 5.9959 7.2582 7.2650 7.2862 7.2977 k = 0.0000 0.0000 0.5044 ( 12268 PWs) bands (ev): -52.6331 -52.6331 -52.6262 -52.6262 -29.3622 -29.3621 -29.3596 -29.3594 -28.7924 -28.7924 -28.7836 -28.7835 -28.5382 -28.5381 -28.4851 -28.4849 -8.1408 -8.1407 -7.8386 -7.8385 -7.6524 -7.6524 -7.4134 -7.4133 -7.3143 -7.3143 -7.2278 -7.2277 0.4523 0.4602 0.6647 0.6837 0.7154 0.7451 0.8662 0.8857 1.1258 1.1544 1.2466 1.2490 1.4108 1.4498 1.8020 1.8762 2.2104 2.2424 2.2763 2.3378 2.4223 2.4389 2.4853 2.4920 2.6174 2.6469 2.7016 2.7804 3.4846 3.5100 3.7203 3.7393 3.8561 3.8584 4.1482 4.1525 5.4692 5.4774 5.6996 5.7091 5.7483 5.7669 5.7946 5.7984 5.8266 5.8347 6.0077 6.0158 7.2306 7.2407 7.2636 7.2813 k = 0.0000 0.0000 0.4825 ( 12262 PWs) bands (ev): -52.6331 -52.6331 -52.6261 -52.6261 -29.3624 -29.3621 -29.3595 -29.3593 -28.7925 -28.7925 -28.7834 -28.7834 -28.5393 -28.5391 -28.4840 -28.4837 -8.1519 -8.1517 -7.8264 -7.8262 -7.6525 -7.6525 -7.4131 -7.4131 -7.3142 -7.3142 -7.2278 -7.2278 0.4306 0.4403 0.6586 0.6814 0.7296 0.7682 0.8703 0.8986 1.1133 1.1601 1.2488 1.2575 1.3553 1.3826 1.8696 1.9574 2.1954 2.2290 2.2736 2.3492 2.4135 2.4336 2.4856 2.5023 2.6208 2.6241 2.7309 2.8169 3.4553 3.4885 3.7230 3.7417 3.8321 3.8413 4.1661 4.1715 5.4433 5.4535 5.6965 5.7101 5.7410 5.7612 5.8056 5.8078 5.8311 5.8432 6.0348 6.0444 7.1964 7.2083 7.2333 7.2543 k = 0.0000 0.0000 0.4606 ( 12256 PWs) bands (ev): -52.6332 -52.6332 -52.6260 -52.6260 -29.3625 -29.3622 -29.3595 -29.3593 -28.7927 -28.7927 -28.7832 -28.7832 -28.5406 -28.5404 -28.4826 -28.4824 -8.1659 -8.1657 -7.8109 -7.8107 -7.6526 -7.6526 -7.4128 -7.4128 -7.3141 -7.3141 -7.2279 -7.2279 0.4050 0.4152 0.6540 0.6810 0.7425 0.7915 0.8781 0.9138 1.0910 1.1618 1.2433 1.2671 1.3225 1.3232 1.9392 2.0352 2.1832 2.2121 2.2724 2.3525 2.4090 2.4253 2.4845 2.5164 2.6031 2.6347 2.7643 2.8549 3.4208 3.4589 3.7216 3.7307 3.8086 3.8316 4.1868 4.1928 5.4122 5.4231 5.6933 5.7104 5.7351 5.7552 5.8170 5.8193 5.8382 5.8531 6.0699 6.0795 7.1576 7.1709 7.1972 7.2199 k = 0.0000 0.0000 0.4386 ( 12250 PWs) bands (ev): -52.6333 -52.6333 -52.6259 -52.6259 -29.3626 -29.3622 -29.3595 -29.3592 -28.7930 -28.7929 -28.7830 -28.7830 -28.5422 -28.5419 -28.4810 -28.4807 -8.1819 -8.1818 -7.7929 -7.7927 -7.6528 -7.6528 -7.4124 -7.4123 -7.3139 -7.3139 -7.2280 -7.2279 0.3769 0.3869 0.6506 0.6820 0.7507 0.8123 0.8893 0.9300 1.0560 1.1513 1.2315 1.2612 1.3002 1.3208 2.0040 2.0950 2.1850 2.1961 2.2706 2.3473 2.4090 2.4146 2.4836 2.5352 2.5854 2.6570 2.7999 2.8941 3.3823 3.4236 3.7041 3.7065 3.7958 3.8327 4.2084 4.2145 5.3778 5.3885 5.6904 5.7105 5.7307 5.7499 5.8282 5.8319 5.8473 5.8637 6.1104 6.1193 7.1155 7.1299 7.1569 7.1801 k = 0.0000 0.0000 0.4167 ( 12232 PWs) bands (ev): -52.6335 -52.6335 -52.6257 -52.6257 -29.3627 -29.3623 -29.3594 -29.3591 -28.7932 -28.7932 -28.7827 -28.7827 -28.5440 -28.5436 -28.4791 -28.4788 -8.1993 -8.1991 -7.7734 -7.7731 -7.6530 -7.6530 -7.4118 -7.4117 -7.3137 -7.3137 -7.2281 -7.2280 0.3476 0.3570 0.6479 0.6838 0.7505 0.8254 0.9035 0.9436 1.0186 1.1229 1.2260 1.2511 1.3148 1.3338 2.0579 2.1117 2.1840 2.2212 2.2693 2.3377 2.4028 2.4104 2.4829 2.5605 2.5714 2.6857 2.8370 2.9343 3.3407 3.3841 3.6674 3.6754 3.7968 3.8404 4.2296 4.2357 5.3414 5.3513 5.6884 5.7109 5.7279 5.7457 5.8389 5.8451 5.8578 5.8746 6.1546 6.1625 7.0708 7.0861 7.1133 7.1365 k = 0.0000 0.0000 0.3948 ( 12222 PWs) bands (ev): -52.6336 -52.6336 -52.6256 -52.6256 -29.3629 -29.3625 -29.3593 -29.3590 -28.7935 -28.7935 -28.7824 -28.7824 -28.5459 -28.5455 -28.4771 -28.4767 -8.2173 -8.2170 -7.7529 -7.7526 -7.6532 -7.6532 -7.4111 -7.4110 -7.3135 -7.3135 -7.2282 -7.2281 0.3177 0.3263 0.6454 0.6862 0.7379 0.8192 0.9203 0.9473 1.0049 1.0908 1.2286 1.2561 1.3369 1.3538 2.0919 2.1044 2.1808 2.2653 2.2711 2.3298 2.3921 2.4126 2.4818 2.5601 2.5944 2.7194 2.8754 2.9749 3.2968 3.3414 3.6254 3.6353 3.8057 3.8511 4.2500 4.2558 5.3040 5.3127 5.6876 5.7122 5.7268 5.7430 5.8492 5.8584 5.8689 5.8852 6.2010 6.2078 7.0241 7.0404 7.0675 7.0902 k = 0.0000 0.0000 0.3728 ( 12230 PWs) bands (ev): -52.6338 -52.6338 -52.6254 -52.6254 -29.3630 -29.3626 -29.3593 -29.3589 -28.7938 -28.7938 -28.7822 -28.7821 -28.5479 -28.5475 -28.4750 -28.4746 -8.2355 -8.2353 -7.7320 -7.7317 -7.6535 -7.6534 -7.4102 -7.4101 -7.3132 -7.3131 -7.2283 -7.2283 0.2878 0.2956 0.6415 0.6882 0.7113 0.7858 0.9394 0.9525 1.0177 1.0690 1.2365 1.2685 1.3626 1.3781 2.0924 2.1013 2.1865 2.2787 2.2833 2.3341 2.3850 2.4184 2.4794 2.5510 2.6371 2.7570 2.9146 3.0156 3.2514 3.2965 3.5807 3.5909 3.8189 3.8636 4.2692 4.2746 5.2662 5.2734 5.6882 5.7145 5.7273 5.7418 5.8588 5.8713 5.8803 5.8954 6.2487 6.2545 6.9762 6.9933 7.0200 7.0420 k = 0.0000 0.0000 0.3509 ( 12240 PWs) bands (ev): -52.6340 -52.6340 -52.6252 -52.6252 -29.3632 -29.3628 -29.3592 -29.3588 -28.7941 -28.7941 -28.7819 -28.7818 -28.5500 -28.5496 -28.4728 -28.4724 -8.2536 -8.2534 -7.7111 -7.7108 -7.6537 -7.6537 -7.4092 -7.4091 -7.3127 -7.3127 -7.2284 -7.2284 0.2584 0.2653 0.6320 0.6665 0.6954 0.7406 0.9602 0.9681 1.0394 1.0611 1.2477 1.2841 1.3910 1.4057 2.0804 2.0968 2.1908 2.2767 2.2892 2.3430 2.3846 2.4306 2.4752 2.5425 2.6875 2.7973 2.9540 3.0557 3.2055 3.2501 3.5344 3.5445 3.8358 3.8780 4.2872 4.2922 5.2284 5.2341 5.6903 5.7179 5.7293 5.7422 5.8679 5.8837 5.8913 5.9050 6.2969 6.3018 6.9275 6.9456 6.9718 6.9929 k = 0.0000 0.0000 0.3290 ( 12232 PWs) bands (ev): -52.6342 -52.6342 -52.6251 -52.6251 -29.3633 -29.3629 -29.3591 -29.3587 -28.7944 -28.7944 -28.7815 -28.7815 -28.5520 -28.5517 -28.4706 -28.4703 -8.2714 -8.2712 -7.6906 -7.6902 -7.6540 -7.6540 -7.4080 -7.4078 -7.3122 -7.3122 -7.2286 -7.2285 0.2298 0.2359 0.6066 0.6170 0.6987 0.7059 0.9821 0.9889 1.0644 1.0648 1.2606 1.3011 1.4219 1.4362 2.0695 2.0884 2.1902 2.2636 2.2952 2.3442 2.3926 2.4454 2.4687 2.5338 2.7419 2.8388 2.9922 3.0944 3.1609 3.2031 3.4876 3.4971 3.8569 3.8950 4.3040 4.3084 5.1910 5.1949 5.6939 5.7226 5.7326 5.7440 5.8762 5.8954 5.9019 5.9138 6.3450 6.3491 6.8788 6.8977 6.9233 6.9433 k = 0.0000 0.0000 0.3071 ( 12238 PWs) bands (ev): -52.6343 -52.6343 -52.6249 -52.6249 -29.3635 -29.3631 -29.3590 -29.3587 -28.7948 -28.7947 -28.7812 -28.7811 -28.5541 -28.5537 -28.4685 -28.4681 -8.2887 -8.2885 -7.6707 -7.6703 -7.6543 -7.6543 -7.4065 -7.4064 -7.3116 -7.3116 -7.2287 -7.2287 0.2022 0.2075 0.5609 0.5620 0.6918 0.7031 1.0047 1.0117 1.0768 1.0911 1.2742 1.3182 1.4550 1.4693 2.0603 2.0800 2.1870 2.2489 2.2947 2.3408 2.4056 2.4576 2.4598 2.5240 2.7956 2.8798 3.0244 3.1234 3.1308 3.1564 3.4408 3.4494 3.8831 3.9153 4.3197 4.3236 5.1542 5.1562 5.6988 5.7282 5.7372 5.7471 5.8839 5.9061 5.9119 5.9218 6.3922 6.3958 6.8305 6.8504 6.8751 6.8940 k = 0.0000 0.0000 0.2851 ( 12248 PWs) bands (ev): -52.6345 -52.6345 -52.6247 -52.6247 -29.3637 -29.3633 -29.3590 -29.3586 -28.7951 -28.7950 -28.7809 -28.7808 -28.5560 -28.5557 -28.4664 -28.4660 -8.3052 -8.3050 -7.6547 -7.6546 -7.6516 -7.6513 -7.4049 -7.4048 -7.3109 -7.3109 -7.2289 -7.2288 0.1759 0.1804 0.5053 0.5058 0.6891 0.7081 1.0273 1.0353 1.0947 1.1193 1.2874 1.3347 1.4901 1.5047 2.0530 2.0729 2.1834 2.2339 2.2905 2.3360 2.4180 2.4484 2.4657 2.5124 2.8429 2.9173 3.0326 3.1125 3.1129 3.1642 3.3949 3.4020 3.9151 3.9400 4.3344 4.3378 5.1180 5.1181 5.7050 5.7348 5.7428 5.7514 5.8907 5.9159 5.9211 5.9288 6.4381 6.4414 6.7833 6.8043 6.8279 6.8456 k = 0.0000 0.0000 0.2632 ( 12262 PWs) bands (ev): -52.6347 -52.6347 -52.6245 -52.6245 -29.3638 -29.3634 -29.3590 -29.3586 -28.7954 -28.7954 -28.7806 -28.7805 -28.5579 -28.5576 -28.4644 -28.4640 -8.3209 -8.3207 -7.6550 -7.6549 -7.6338 -7.6335 -7.4031 -7.4030 -7.3100 -7.3100 -7.2290 -7.2290 0.1510 0.1548 0.4492 0.4493 0.6912 0.7134 1.0497 1.0592 1.1169 1.1487 1.2997 1.3496 1.5272 1.5423 2.0479 2.0676 2.1805 2.2189 2.2851 2.3317 2.4259 2.4354 2.4693 2.4988 2.8739 2.9442 3.0176 3.0776 3.1353 3.1936 3.3509 3.3553 3.9533 3.9699 4.3484 4.3512 5.0806 5.0826 5.7121 5.7420 5.7492 5.7565 5.8968 5.9245 5.9295 5.9351 6.4819 6.4852 6.7379 6.7601 6.7822 6.7985 k = 0.0000 0.0000 0.2413 ( 12264 PWs) bands (ev): -52.6349 -52.6349 -52.6244 -52.6244 -29.3639 -29.3636 -29.3589 -29.3586 -28.7957 -28.7957 -28.7803 -28.7803 -28.5597 -28.5594 -28.4624 -28.4621 -8.3356 -8.3354 -7.6553 -7.6552 -7.6173 -7.6169 -7.4011 -7.4010 -7.3090 -7.3090 -7.2292 -7.2291 0.1277 0.1308 0.3945 0.3952 0.6954 0.7188 1.0717 1.0829 1.1421 1.1788 1.3104 1.3624 1.5662 1.5817 2.0449 2.0644 2.1791 2.2043 2.2795 2.3285 2.4173 2.4315 2.4683 2.4835 2.8730 2.9449 3.0192 3.0673 3.1633 3.2189 3.3099 3.3108 3.9976 4.0054 4.3618 4.3640 5.0437 5.0479 5.7200 5.7496 5.7560 5.7623 5.9022 5.9318 5.9371 5.9407 6.5223 6.5263 6.6953 6.7189 6.7384 6.7533 k = 0.0000 0.0000 0.2193 ( 12256 PWs) bands (ev): -52.6350 -52.6350 -52.6242 -52.6242 -29.3640 -29.3637 -29.3588 -29.3585 -28.7960 -28.7959 -28.7800 -28.7800 -28.5614 -28.5611 -28.4606 -28.4603 -8.3492 -8.3491 -7.6556 -7.6555 -7.6021 -7.6018 -7.3989 -7.3988 -7.3078 -7.3078 -7.2293 -7.2293 0.1060 0.1086 0.3428 0.3441 0.7008 0.7243 1.0932 1.1064 1.1695 1.2093 1.3191 1.3727 1.6068 1.6229 2.0438 2.0633 2.1796 2.1902 2.2739 2.3271 2.4002 2.4292 2.4583 2.4712 2.8433 2.9160 3.0428 3.0844 3.1825 3.2399 3.2662 3.2803 4.0465 4.0475 4.3746 4.3761 5.0073 5.0139 5.7283 5.7574 5.7632 5.7684 5.9069 5.9375 5.9438 5.9460 6.5567 6.5620 6.6582 6.6837 6.6970 6.7105 k = 0.0000 0.0000 0.1974 ( 12236 PWs) bands (ev): -52.6352 -52.6352 -52.6241 -52.6241 -29.3642 -29.3638 -29.3588 -29.3585 -28.7962 -28.7962 -28.7798 -28.7797 -28.5629 -28.5626 -28.4588 -28.4586 -8.3618 -8.3617 -7.6558 -7.6558 -7.5886 -7.5883 -7.3966 -7.3965 -7.3065 -7.3065 -7.2294 -7.2294 0.0862 0.0882 0.2948 0.2965 0.7068 0.7297 1.1143 1.1297 1.1982 1.2398 1.3256 1.3801 1.6490 1.6655 2.0444 2.0639 2.1768 2.1825 2.2680 2.3276 2.3818 2.4217 2.4376 2.4640 2.8017 2.8750 3.0732 3.1113 3.1792 3.2251 3.2571 3.2712 4.0929 4.1018 4.3868 4.3877 4.9714 4.9805 5.7370 5.7650 5.7704 5.7747 5.9109 5.9414 5.9497 5.9512 6.5759 6.5791 6.6392 6.6591 6.6629 6.6710 k = 0.0000 0.0000 0.1755 ( 12236 PWs) bands (ev): -52.6353 -52.6353 -52.6239 -52.6239 -29.3643 -29.3640 -29.3587 -29.3585 -28.7965 -28.7964 -28.7796 -28.7795 -28.5643 -28.5640 -28.4572 -28.4570 -8.3732 -8.3731 -7.6561 -7.6561 -7.5766 -7.5764 -7.3942 -7.3941 -7.3050 -7.3050 -7.2296 -7.2295 0.0683 0.0697 0.2510 0.2531 0.7131 0.7348 1.1349 1.1526 1.2275 1.2697 1.3297 1.3844 1.6925 1.7094 2.0465 2.0660 2.1644 2.1877 2.2614 2.3298 2.3635 2.4097 2.4127 2.4565 2.7564 2.8306 3.1018 3.1364 3.1575 3.1898 3.2707 3.2811 4.1436 4.1591 4.3986 4.3986 4.9358 4.9475 5.7457 5.7722 5.7773 5.7809 5.9145 5.9438 5.9548 5.9559 6.5608 6.5670 6.6220 6.6332 6.6582 6.6715 k = 0.0000 0.0000 0.1535 ( 12244 PWs) bands (ev): -52.6354 -52.6354 -52.6238 -52.6238 -29.3644 -29.3641 -29.3587 -29.3584 -28.7967 -28.7966 -28.7794 -28.7793 -28.5656 -28.5654 -28.4558 -28.4556 -8.3834 -8.3832 -7.6564 -7.6563 -7.5663 -7.5661 -7.3919 -7.3918 -7.3035 -7.3035 -7.2297 -7.2297 0.0523 0.0532 0.2118 0.2141 0.7195 0.7395 1.1550 1.1750 1.2566 1.2982 1.3314 1.3857 1.7370 1.7540 2.0496 2.0690 2.1534 2.1949 2.2534 2.3328 2.3459 2.3858 2.3945 2.4480 2.7107 2.7858 3.1101 3.1352 3.1483 3.1826 3.2812 3.2952 4.1974 4.2178 4.4088 4.4097 4.9004 4.9147 5.7542 5.7788 5.7839 5.7867 5.9176 5.9449 5.9591 5.9602 6.5323 6.5427 6.5905 6.6000 6.6857 6.6942 k = 0.0000 0.0000 0.1316 ( 12224 PWs) bands (ev): -52.6355 -52.6355 -52.6237 -52.6237 -29.3644 -29.3642 -29.3586 -29.3584 -28.7968 -28.7968 -28.7792 -28.7791 -28.5667 -28.5665 -28.4546 -28.4544 -8.3922 -8.3921 -7.6566 -7.6566 -7.5576 -7.5574 -7.3896 -7.3895 -7.3019 -7.3019 -7.2298 -7.2298 0.0383 0.0388 0.1774 0.1797 0.7258 0.7436 1.1744 1.1967 1.2848 1.3246 1.3311 1.3841 1.7823 1.7990 2.0536 2.0725 2.1441 2.2018 2.2456 2.3281 2.3299 2.3638 2.3792 2.4388 2.6660 2.7419 3.0870 3.1069 3.1688 3.2036 3.2891 3.3078 4.2528 4.2764 4.4181 4.4204 4.8651 4.8819 5.7624 5.7846 5.7899 5.7922 5.9204 5.9452 5.9627 5.9637 6.5049 6.5163 6.5625 6.5705 6.7126 6.7191 k = 0.0000 0.0000 0.1097 ( 12194 PWs) bands (ev): -52.6356 -52.6356 -52.6236 -52.6236 -29.3645 -29.3643 -29.3585 -29.3584 -28.7970 -28.7969 -28.7790 -28.7790 -28.5676 -28.5674 -28.4535 -28.4533 -8.3998 -8.3997 -7.6568 -7.6568 -7.5504 -7.5502 -7.3876 -7.3875 -7.3004 -7.3004 -7.2299 -7.2299 0.0264 0.0266 0.1480 0.1503 0.7317 0.7470 1.1931 1.2176 1.3116 1.3285 1.3486 1.3798 1.8279 1.8438 2.0583 2.0762 2.1369 2.2014 2.2447 2.3061 2.3076 2.3616 2.3678 2.4292 2.6236 2.6996 3.0613 3.0781 3.1921 3.2261 3.2947 3.3174 4.3084 4.3327 4.4264 4.4309 4.8299 4.8490 5.7699 5.7894 5.7952 5.7969 5.9230 5.9446 5.9656 5.9666 6.4808 6.4917 6.5384 6.5451 6.7367 6.7418 k = 0.0000 0.0000 0.0877 ( 12195 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7971 -28.7971 -28.7789 -28.7788 -28.5684 -28.5682 -28.4526 -28.4524 -8.4060 -8.4060 -7.6569 -7.6569 -7.5446 -7.5445 -7.3858 -7.3857 -7.2989 -7.2989 -7.2300 -7.2300 0.0165 0.0165 0.1239 0.1259 0.7371 0.7497 1.2110 1.2371 1.3246 1.3359 1.3685 1.3732 1.8730 1.8873 2.0641 2.0796 2.1322 2.1898 2.2523 2.2712 2.2853 2.3629 2.3687 2.4194 2.5853 2.6595 3.0389 3.0527 3.2133 3.2460 3.2985 3.3236 4.3627 4.3835 4.4335 4.4429 4.7949 4.8158 5.7768 5.7929 5.7997 5.8010 5.9254 5.9434 5.9680 5.9689 6.4608 6.4704 6.5187 6.5240 6.7571 6.7612 k = 0.0000 0.0000 0.0658 ( 12205 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3646 -29.3645 -29.3585 -29.3584 -28.7972 -28.7972 -28.7788 -28.7788 -28.5690 -28.5689 -28.4519 -28.4518 -8.4109 -8.4109 -7.6571 -7.6571 -7.5403 -7.5402 -7.3843 -7.3843 -7.2977 -7.2977 -7.2300 -7.2300 0.0086 0.0088 0.1050 0.1067 0.7418 0.7515 1.2276 1.2544 1.3201 1.3561 1.3655 1.3838 1.9164 1.9280 2.0721 2.0831 2.1300 2.1738 2.2332 2.2403 2.2850 2.3634 2.3759 2.4096 2.5536 2.6223 3.0210 3.0317 3.2319 3.2619 3.3014 3.3266 4.4136 4.4197 4.4398 4.4631 4.7610 4.7828 5.7828 5.7953 5.8033 5.8042 5.9278 5.9417 5.9698 5.9705 6.4453 6.4529 6.5033 6.5072 6.7735 6.7766 k = 0.0000 0.0000 0.0439 ( 12207 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5694 -28.5694 -28.4513 -28.4513 -8.4144 -8.4144 -7.6572 -7.6572 -7.5372 -7.5372 -7.3832 -7.3832 -7.2968 -7.2967 -7.2301 -7.2301 0.0030 0.0033 0.0916 0.0929 0.7457 0.7523 1.2429 1.2673 1.3173 1.3526 1.3760 1.3938 1.9554 1.9629 2.0842 2.0878 2.1305 2.1578 2.1946 2.2091 2.3049 2.3676 2.3776 2.4000 2.5329 2.5887 3.0083 3.0157 3.2476 3.2716 3.3051 3.3264 4.4352 4.4409 4.4630 4.4945 4.7306 4.7509 5.7878 5.7963 5.8059 5.8065 5.9302 5.9397 5.9711 5.9716 6.4345 6.4398 6.4924 6.4950 6.7855 6.7876 k = 0.0000 0.0000 0.0219 ( 12191 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7786 -28.5697 -28.5696 -28.4510 -28.4510 -8.4165 -8.4165 -7.6572 -7.6572 -7.5354 -7.5354 -7.3826 -7.3826 -7.2961 -7.2961 -7.2301 -7.2301 -0.0003 -0.0001 0.0837 0.0844 0.7488 0.7521 1.2563 1.2716 1.3201 1.3410 1.3887 1.3980 1.9845 1.9873 2.0974 2.1018 2.1333 2.1433 2.1594 2.1764 2.3284 2.3692 2.3741 2.3908 2.5280 2.5600 3.0014 3.0051 3.2601 3.2736 3.3111 3.3234 4.4415 4.4439 4.5000 4.5190 4.7095 4.7232 5.7918 5.7961 5.8076 5.8078 5.9326 5.9374 5.9719 5.9722 6.4286 6.4313 6.4861 6.4874 6.7930 6.7941 k = 0.0000 0.0000 0.0000 ( 12189 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.4172 -8.4172 -7.6572 -7.6572 -7.5348 -7.5348 -7.3823 -7.3823 -7.2959 -7.2959 -7.2301 -7.2301 -0.0013 -0.0013 0.0813 0.0813 0.7510 0.7510 1.2668 1.2668 1.3292 1.3292 1.3963 1.3963 1.9958 1.9958 2.1133 2.1133 2.1307 2.1307 2.1519 2.1519 2.3512 2.3512 2.3821 2.3821 2.5385 2.5385 3.0003 3.0003 3.2691 3.2691 3.3179 3.3179 4.4440 4.4440 4.5218 4.5218 4.7065 4.7065 5.7945 5.7945 5.8082 5.8082 5.9350 5.9350 5.9723 5.9723 6.4275 6.4275 6.4844 6.4844 6.7959 6.7959 k = 0.0000 0.0000 0.0000 ( 12189 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.4172 -8.4172 -7.6572 -7.6572 -7.5348 -7.5348 -7.3823 -7.3823 -7.2959 -7.2959 -7.2301 -7.2301 -0.0013 -0.0013 0.0813 0.0813 0.7510 0.7510 1.2668 1.2668 1.3292 1.3292 1.3963 1.3963 1.9958 1.9958 2.1133 2.1133 2.1307 2.1307 2.1519 2.1519 2.3512 2.3512 2.3821 2.3821 2.5385 2.5385 3.0003 3.0003 3.2691 3.2691 3.3179 3.3179 4.4440 4.4440 4.5218 4.5218 4.7065 4.7065 5.7945 5.7945 5.8082 5.8082 5.9350 5.9350 5.9723 5.9723 6.4275 6.4275 6.4844 6.4844 6.7959 6.7959 k =-0.0192 0.0111 0.0000 ( 12209 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4509 -28.4509 -8.4166 -8.4166 -7.6578 -7.6577 -7.5348 -7.5348 -7.3826 -7.3825 -7.2961 -7.2960 -7.2302 -7.2302 -0.0007 -0.0001 0.0822 0.0822 0.7505 0.7518 1.2480 1.2718 1.3220 1.3510 1.3936 1.3985 1.9951 1.9956 2.1029 2.1207 2.1295 2.1333 2.1514 2.1568 2.3469 2.3553 2.3787 2.3854 2.5326 2.5445 2.9965 3.0021 3.2580 3.2743 3.3132 3.3293 4.4367 4.4408 4.5184 4.5207 4.7056 4.7103 5.7944 5.7946 5.8081 5.8083 5.9330 5.9367 5.9692 5.9741 6.4275 6.4279 6.4863 6.4866 6.7968 6.7969 k =-0.0385 0.0222 0.0000 ( 12197 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.4149 -8.4148 -7.6594 -7.6593 -7.5347 -7.5347 -7.3832 -7.3831 -7.2964 -7.2963 -7.2304 -7.2304 0.0016 0.0028 0.0848 0.0848 0.7502 0.7528 1.2264 1.2562 1.3363 1.3764 1.3906 1.4002 1.9932 1.9945 2.0930 2.1172 2.1347 2.1388 2.1538 2.1659 2.3422 2.3592 2.3750 2.3894 2.5266 2.5507 2.9908 3.0019 3.2441 3.2691 3.3197 3.3442 4.4197 4.4269 4.5114 4.5154 4.7074 4.7162 5.7941 5.7945 5.8079 5.8083 5.9305 5.9379 5.9649 5.9747 6.4280 6.4288 6.4921 6.4928 6.7998 6.8000 k =-0.0577 0.0334 0.0000 ( 12193 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5697 -28.5697 -28.4509 -28.4509 -8.4119 -8.4119 -7.6620 -7.6619 -7.5346 -7.5345 -7.3842 -7.3840 -7.2968 -7.2967 -7.2307 -7.2307 0.0056 0.0074 0.0891 0.0892 0.7502 0.7542 1.2046 1.2341 1.3578 1.3871 1.4015 1.4027 1.9893 1.9928 2.0843 2.1112 2.1356 2.1509 2.1579 2.1779 2.3371 2.3632 2.3710 2.3946 2.5202 2.5573 2.9830 2.9997 3.2278 3.2565 3.3341 3.3623 4.3938 4.4029 4.5017 4.5068 4.7111 4.7229 5.7937 5.7942 5.8077 5.8082 5.9272 5.9388 5.9592 5.9741 6.4289 6.4299 6.5019 6.5027 6.8047 6.8050 k =-0.0769 0.0445 0.0000 ( 12201 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5697 -28.5697 -28.4509 -28.4509 -8.4078 -8.4078 -7.6657 -7.6655 -7.5345 -7.5344 -7.3856 -7.3853 -7.2975 -7.2974 -7.2312 -7.2312 0.0113 0.0138 0.0952 0.0953 0.7504 0.7558 1.1836 1.2115 1.3802 1.3832 1.4027 1.4289 1.9831 1.9901 2.0777 2.1050 2.1369 2.1619 2.1649 2.1914 2.3322 2.3659 2.3682 2.4015 2.5133 2.5642 2.9734 2.9958 3.2089 3.2397 3.3531 3.3835 4.3602 4.3703 4.4899 4.4956 4.7154 4.7293 5.7931 5.7939 5.8074 5.8080 5.9231 5.9387 5.9527 5.9726 6.4302 6.4314 6.5154 6.5163 6.8115 6.8120 k =-0.0962 0.0556 0.0000 ( 12187 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.4026 -8.4025 -7.6704 -7.6702 -7.5344 -7.5343 -7.3873 -7.3869 -7.2983 -7.2981 -7.2318 -7.2317 0.0186 0.0217 0.1029 0.1030 0.7510 0.7579 1.1638 1.1896 1.3789 1.3959 1.4101 1.4546 1.9741 1.9861 2.0736 2.0986 2.1384 2.1686 2.1776 2.2054 2.3278 2.3629 2.3722 2.4102 2.5057 2.5716 2.9620 2.9900 3.1873 3.2198 3.3754 3.4081 4.3204 4.3312 4.4761 4.4821 4.7195 4.7347 5.7924 5.7934 5.8070 5.8078 5.9176 5.9356 5.9472 5.9703 6.4318 6.4331 6.5323 6.5332 6.8201 6.8207 k =-0.1154 0.0667 0.0000 ( 12185 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3963 -8.3962 -7.6760 -7.6758 -7.5344 -7.5343 -7.3891 -7.3887 -7.2992 -7.2990 -7.2324 -7.2324 0.0274 0.0312 0.1122 0.1124 0.7519 0.7603 1.1454 1.1692 1.3741 1.3971 1.4307 1.4794 1.9622 1.9806 2.0721 2.0918 2.1402 2.1759 2.1909 2.2185 2.3250 2.3611 2.3773 2.4204 2.4976 2.5794 2.9488 2.9825 3.1632 3.1973 3.4004 3.4358 4.2756 4.2874 4.4603 4.4667 4.7229 4.7386 5.7915 5.7927 5.8066 5.8076 5.9105 5.9270 5.9451 5.9675 6.4336 6.4349 6.5523 6.5532 6.8304 6.8312 k =-0.1346 0.0778 0.0000 ( 12189 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3888 -8.3888 -7.6827 -7.6824 -7.5346 -7.5345 -7.3912 -7.3907 -7.3003 -7.3001 -7.2332 -7.2332 0.0376 0.0420 0.1232 0.1235 0.7533 0.7633 1.1287 1.1505 1.3688 1.3949 1.4530 1.5031 1.9478 1.9732 2.0729 2.0846 2.1422 2.1844 2.2034 2.2287 2.3246 2.3616 2.3838 2.4313 2.4897 2.5878 2.9337 2.9730 3.1370 3.1727 3.4276 3.4663 4.2271 4.2407 4.4428 4.4495 4.7252 4.7411 5.7903 5.7919 5.8062 5.8072 5.9015 5.9148 5.9445 5.9644 6.4355 6.4367 6.5752 6.5759 6.8422 6.8433 k =-0.1538 0.0889 0.0000 ( 12187 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3804 -8.3803 -7.6903 -7.6899 -7.5350 -7.5349 -7.3932 -7.3927 -7.3014 -7.3012 -7.2341 -7.2340 0.0490 0.0541 0.1357 0.1360 0.7552 0.7668 1.1138 1.1338 1.3630 1.3912 1.4750 1.5256 1.9316 1.9638 2.0752 2.0770 2.1444 2.1943 2.2142 2.2347 2.3276 2.3641 2.3935 2.4396 2.4850 2.5969 2.9163 2.9610 3.1098 3.1472 3.4563 3.4993 4.1762 4.1928 4.4236 4.4309 4.7264 4.7421 5.7888 5.7909 5.8058 5.8069 5.8904 5.9002 5.9440 5.9611 6.4374 6.4386 6.6005 6.6011 6.8553 6.8567 k =-0.1731 0.1001 0.0000 ( 12181 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3709 -8.3708 -7.6987 -7.6984 -7.5357 -7.5356 -7.3953 -7.3948 -7.3026 -7.3023 -7.2351 -7.2350 0.0614 0.0673 0.1496 0.1500 0.7578 0.7710 1.1008 1.1193 1.3566 1.3862 1.4961 1.5465 1.9141 1.9525 2.0690 2.0783 2.1468 2.2057 2.2222 2.2360 2.3344 2.3667 2.4078 2.4395 2.4896 2.6068 2.8960 2.9454 3.0831 3.1225 3.4857 3.5342 4.1238 4.1454 4.4030 4.4112 4.7265 4.7416 5.7869 5.7895 5.8053 5.8065 5.8773 5.8838 5.9433 5.9577 6.4392 6.4403 6.6279 6.6282 6.8696 6.8712 k =-0.1923 0.1112 0.0000 ( 12201 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5697 -28.5697 -28.4509 -28.4509 -8.3605 -8.3603 -7.7081 -7.7078 -7.5367 -7.5366 -7.3971 -7.3966 -7.3039 -7.3036 -7.2362 -7.2361 0.0747 0.0812 0.1649 0.1654 0.7613 0.7760 1.0897 1.1070 1.3497 1.3799 1.5162 1.5659 1.8959 1.9396 2.0606 2.0812 2.1499 2.2182 2.2276 2.2332 2.3442 2.3681 2.4267 2.4308 2.5038 2.6179 2.8715 2.9247 3.0590 3.1007 3.5148 3.5703 4.0713 4.1000 4.3814 4.3907 4.7255 4.7400 5.7843 5.7877 5.8047 5.8060 5.8625 5.8658 5.9422 5.9543 6.4408 6.4418 6.6569 6.6570 6.8847 6.8866 k =-0.2115 0.1223 0.0000 ( 12203 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4509 -28.4509 -8.3491 -8.3490 -7.7184 -7.7180 -7.5380 -7.5379 -7.3988 -7.3983 -7.3051 -7.3048 -7.2374 -7.2372 0.0885 0.0957 0.1815 0.1821 0.7660 0.7820 1.0805 1.0969 1.3421 1.3723 1.5352 1.5835 1.8776 1.9256 2.0517 2.0831 2.1540 2.2271 2.2275 2.2349 2.3545 2.3680 2.4195 2.4485 2.5227 2.6302 2.8418 2.8978 3.0398 3.0841 3.5423 3.6070 4.0196 4.0583 4.3590 4.3695 4.7236 4.7372 5.7804 5.7850 5.8041 5.8055 5.8468 5.8468 5.9408 5.9509 6.4423 6.4432 6.6870 6.6873 6.9003 6.9027 k =-0.2308 0.1334 0.0000 ( 12213 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3370 -8.3368 -7.7295 -7.7291 -7.5397 -7.5396 -7.4001 -7.3996 -7.3064 -7.3060 -7.2386 -7.2385 0.1026 0.1104 0.1993 0.1999 0.7720 0.7890 1.0731 1.0892 1.3341 1.3634 1.5530 1.5994 1.8596 1.9112 2.0426 2.0833 2.1590 2.2195 2.2278 2.2486 2.3603 2.3667 2.4121 2.4715 2.5437 2.6439 2.8061 2.8646 3.0274 3.0739 3.5666 3.6430 3.9701 4.0222 4.3361 4.3481 4.7208 4.7336 5.7741 5.7802 5.8034 5.8050 5.8282 5.8315 5.9390 5.9474 6.4435 6.4443 6.7178 6.7185 6.9163 6.9191 k =-0.2500 0.1445 0.0000 ( 12205 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3241 -8.3239 -7.7413 -7.7409 -7.5417 -7.5416 -7.4011 -7.4006 -7.3076 -7.3073 -7.2399 -7.2398 0.1168 0.1250 0.2180 0.2188 0.7797 0.7973 1.0672 1.0837 1.3254 1.3532 1.5695 1.6135 1.8425 1.8968 2.0333 2.0818 2.1643 2.2100 2.2256 2.2631 2.3557 2.3646 2.4145 2.4940 2.5653 2.6589 2.7651 2.8266 3.0223 3.0703 3.5859 3.6766 3.9249 3.9938 4.3131 4.3268 4.7173 4.7291 5.7637 5.7709 5.8025 5.8042 5.8130 5.8188 5.9369 5.9438 6.4445 6.4453 6.7491 6.7501 6.9322 6.9355 k =-0.2692 0.1556 0.0000 ( 12207 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.3105 -8.3104 -7.7539 -7.7535 -7.5440 -7.5439 -7.4017 -7.4012 -7.3088 -7.3084 -7.2414 -7.2412 0.1306 0.1392 0.2376 0.2385 0.7893 0.8069 1.0627 1.0803 1.3164 1.3418 1.5849 1.6261 1.8266 1.8830 2.0237 2.0788 2.1677 2.2006 2.2212 2.2763 2.3444 2.3619 2.4237 2.5152 2.5855 2.6742 2.7204 2.7869 3.0245 3.0726 3.5984 3.7042 3.8874 3.9749 4.2902 4.3057 4.7132 4.7241 5.7481 5.7547 5.8010 5.8015 5.8055 5.8104 5.9345 5.9402 6.4453 6.4460 6.7803 6.7818 6.9479 6.9516 k =-0.2885 0.1668 0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2965 -8.2963 -7.7670 -7.7666 -7.5465 -7.5465 -7.4019 -7.4014 -7.3099 -7.3095 -7.2428 -7.2427 0.1439 0.1527 0.2579 0.2588 0.8009 0.8179 1.0593 1.0789 1.3069 1.3292 1.5992 1.6374 1.8121 1.8701 2.0139 2.0746 2.1637 2.1964 2.2142 2.2853 2.3343 2.3591 2.4335 2.5343 2.6017 2.6689 2.6946 2.7502 3.0334 3.0799 3.6030 3.7181 3.8653 3.9664 4.2677 4.2853 4.7087 4.7186 5.7280 5.7330 5.7971 5.7988 5.8042 5.8063 5.9319 5.9366 6.4460 6.4465 6.8110 6.8132 6.9631 6.9673 k =-0.3077 0.1779 0.0000 ( 12215 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2820 -8.2818 -7.7807 -7.7803 -7.5492 -7.5491 -7.4018 -7.4014 -7.3109 -7.3105 -7.2444 -7.2442 0.1564 0.1652 0.2786 0.2795 0.8146 0.8301 1.0567 1.0793 1.2972 1.3157 1.6128 1.6478 1.7993 1.8579 2.0039 2.0696 2.1500 2.1993 2.2042 2.2864 2.3318 2.3561 2.4401 2.5505 2.6087 2.6231 2.7092 2.7245 3.0480 3.0915 3.5998 3.7108 3.8662 3.9679 4.2457 4.2656 4.7039 4.7128 5.7053 5.7088 5.7943 5.7963 5.8036 5.8045 5.9292 5.9331 6.4464 6.4469 6.8410 6.8437 6.9775 6.9822 k =-0.3269 0.1890 0.0000 ( 12219 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2673 -8.2671 -7.7947 -7.7943 -7.5519 -7.5519 -7.4014 -7.4010 -7.3117 -7.3114 -7.2459 -7.2457 0.1678 0.1765 0.2994 0.3004 0.8302 0.8433 1.0547 1.0813 1.2873 1.3013 1.6260 1.6580 1.7879 1.8463 1.9936 2.0639 2.1312 2.1913 2.2046 2.2809 2.3357 2.3525 2.4404 2.5572 2.5846 2.6035 2.7166 2.7246 3.0672 3.1064 3.5907 3.6875 3.8844 3.9774 4.2246 4.2468 4.6989 4.7069 5.6813 5.6836 5.7924 5.7942 5.8032 5.8036 5.9265 5.9297 6.4467 6.4472 6.8697 6.8731 6.9909 6.9961 k =-0.3462 0.2001 0.0000 ( 12209 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2526 -8.2524 -7.8088 -7.8085 -7.5547 -7.5546 -7.4008 -7.4004 -7.3125 -7.3122 -7.2475 -7.2473 0.1781 0.1863 0.3201 0.3211 0.8473 0.8570 1.0531 1.0848 1.2776 1.2865 1.6394 1.6686 1.7779 1.8346 1.9828 2.0570 2.1104 2.1761 2.2102 2.2739 2.3389 2.3470 2.4331 2.5262 2.5855 2.5943 2.7225 2.7389 3.0897 3.1239 3.5780 3.6585 3.9096 3.9924 4.2044 4.2293 4.6939 4.7010 5.6570 5.6586 5.7910 5.7925 5.8028 5.8029 5.9239 5.9265 6.4469 6.4473 6.8968 6.9008 7.0031 7.0088 k =-0.3654 0.2112 0.0000 ( 12201 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2380 -8.2379 -7.8228 -7.8225 -7.5573 -7.5573 -7.4000 -7.3996 -7.3131 -7.3128 -7.2490 -7.2488 0.1872 0.1948 0.3401 0.3411 0.8654 0.8708 1.0520 1.0895 1.2683 1.2717 1.6533 1.6803 1.7691 1.8225 1.9715 2.0472 2.0906 2.1599 2.2151 2.2672 2.3349 2.3382 2.4221 2.4907 2.5901 2.5957 2.7338 2.7518 3.1140 3.1430 3.5636 3.6293 3.9364 4.0104 4.1853 4.2130 4.6890 4.6953 5.6334 5.6343 5.7898 5.7911 5.8024 5.8025 5.9214 5.9235 6.4471 6.4474 6.9220 6.9266 7.0140 7.0201 k =-0.3846 0.2223 0.0000 ( 12212 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2240 -8.2239 -7.8365 -7.8362 -7.5597 -7.5597 -7.3991 -7.3988 -7.3136 -7.3133 -7.2505 -7.2503 0.1949 0.2017 0.3592 0.3602 0.8833 0.8840 1.0518 1.0950 1.2575 1.2597 1.6679 1.6936 1.7615 1.8094 1.9593 2.0314 2.0759 2.1440 2.2189 2.2601 2.3206 2.3245 2.4151 2.4634 2.5918 2.6052 2.7462 2.7631 3.1387 3.1624 3.5494 3.6019 3.9624 4.0296 4.1675 4.1980 4.6845 4.6899 5.6110 5.6116 5.7889 5.7899 5.8021 5.8021 5.9191 5.9208 6.4471 6.4474 6.9449 6.9501 7.0234 7.0299 k =-0.4038 0.2335 0.0000 ( 12210 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.2109 -8.2107 -7.8493 -7.8491 -7.5619 -7.5618 -7.3982 -7.3980 -7.3140 -7.3137 -7.2518 -7.2517 0.2014 0.2073 0.3768 0.3777 0.8959 0.8999 1.0532 1.1007 1.2447 1.2518 1.6831 1.7089 1.7555 1.7953 1.9460 2.0087 2.0678 2.1291 2.2210 2.2508 2.3009 2.3068 2.4140 2.4459 2.5972 2.6132 2.7579 2.7727 3.1624 3.1812 3.5364 3.5775 3.9866 4.0486 4.1509 4.1843 4.6805 4.6850 5.5907 5.5909 5.7882 5.7890 5.8018 5.8018 5.9171 5.9184 6.4471 6.4473 6.9652 6.9709 7.0312 7.0379 k =-0.4231 0.2446 0.0000 ( 12206 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1990 -8.1989 -7.8610 -7.8607 -7.5637 -7.5637 -7.3974 -7.3972 -7.3143 -7.3140 -7.2530 -7.2529 0.2067 0.2116 0.3923 0.3931 0.9062 0.9135 1.0569 1.1056 1.2341 1.2449 1.6979 1.7259 1.7526 1.7806 1.9314 1.9821 2.0640 2.1155 2.2205 2.2370 2.2850 2.2890 2.4160 2.4360 2.6041 2.6194 2.7682 2.7803 3.1838 3.1981 3.5254 3.5565 4.0086 4.0664 4.1357 4.1718 4.6771 4.6807 5.5730 5.5731 5.7876 5.7882 5.8016 5.8016 5.9154 5.9164 6.4471 6.4473 6.9827 6.9886 7.0374 7.0441 k =-0.4423 0.2557 0.0000 ( 12218 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1889 -8.1888 -7.8708 -7.8707 -7.5652 -7.5652 -7.3967 -7.3966 -7.3144 -7.3142 -7.2540 -7.2539 0.2109 0.2146 0.4052 0.4058 0.9145 0.9231 1.0635 1.1083 1.2266 1.2388 1.7097 1.7435 1.7555 1.7668 1.9159 1.9542 2.0630 2.1031 2.2165 2.2210 2.2755 2.2758 2.4187 2.4308 2.6110 2.6238 2.7767 2.7860 3.2020 3.2121 3.5171 3.5393 4.0283 4.0821 4.1221 4.1603 4.6743 4.6771 5.5585 5.5585 5.7871 5.7876 5.8014 5.8014 5.9141 5.9148 6.4471 6.4472 6.9973 7.0029 7.0421 7.0484 k =-0.4615 0.2668 0.0000 ( 12212 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1812 -8.1811 -7.8784 -7.8783 -7.5663 -7.5663 -7.3962 -7.3961 -7.3145 -7.3144 -7.2547 -7.2546 0.2140 0.2165 0.4149 0.4154 0.9210 0.9284 1.0728 1.1073 1.2229 1.2335 1.7169 1.7480 1.7653 1.7670 1.9008 1.9272 2.0644 2.0918 2.2078 2.2096 2.2682 2.2707 2.4212 2.4280 2.6172 2.6262 2.7834 2.7896 3.2160 3.2224 3.5118 3.5260 4.0458 4.0923 4.1130 4.1494 4.6725 4.6743 5.5478 5.5478 5.7869 5.7872 5.8013 5.8013 5.9132 5.9136 6.4471 6.4472 7.0085 7.0133 7.0455 7.0506 k =-0.4808 0.2779 0.0000 ( 12192 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1763 -8.1762 -7.8832 -7.8832 -7.5669 -7.5669 -7.3958 -7.3958 -7.3145 -7.3145 -7.2551 -7.2551 0.2161 0.2173 0.4210 0.4212 0.9258 0.9300 1.0836 1.1024 1.2227 1.2288 1.7221 1.7376 1.7778 1.7802 1.8899 1.9040 2.0680 2.0819 2.2005 2.2028 2.2657 2.2676 2.4233 2.4263 2.6221 2.6268 2.7880 2.7912 3.2252 3.2283 3.5097 3.5167 4.0614 4.0876 4.1175 4.1387 4.6715 4.6724 5.5412 5.5412 5.7867 5.7869 5.8012 5.8012 5.9126 5.9129 6.4471 6.4471 7.0162 7.0191 7.0480 7.0511 k =-0.5000 0.2890 0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1746 -8.1746 -7.8849 -7.8849 -7.5672 -7.5672 -7.3957 -7.3957 -7.3145 -7.3145 -7.2553 -7.2553 0.2172 0.2172 0.4231 0.4231 0.9289 0.9289 1.0940 1.0940 1.2250 1.2250 1.7286 1.7286 1.7848 1.7848 1.8900 1.8900 2.0739 2.0739 2.1991 2.1991 2.2658 2.2658 2.4249 2.4249 2.6254 2.6254 2.7906 2.7906 3.2293 3.2293 3.5113 3.5113 4.0755 4.0755 4.1280 4.1280 4.6715 4.6715 5.5389 5.5389 5.7867 5.7867 5.8012 5.8012 5.9125 5.9125 6.4471 6.4471 7.0200 7.0200 7.0500 7.0500 k =-0.5000 0.2890 0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1746 -8.1746 -7.8849 -7.8849 -7.5672 -7.5672 -7.3957 -7.3957 -7.3145 -7.3145 -7.2553 -7.2553 0.2172 0.2172 0.4231 0.4231 0.9289 0.9289 1.0940 1.0940 1.2250 1.2250 1.7286 1.7286 1.7848 1.7848 1.8900 1.8900 2.0739 2.0739 2.1991 2.1991 2.2658 2.2658 2.4249 2.4249 2.6254 2.6254 2.7906 2.7906 3.2293 3.2293 3.5113 3.5113 4.0755 4.0755 4.1280 4.1280 4.6715 4.6715 5.5389 5.5389 5.7867 5.7867 5.8012 5.8012 5.9125 5.9125 6.4471 6.4471 7.0200 7.0200 7.0500 7.0500 k =-0.4889 0.3082-0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1743 -8.1743 -7.8846 -7.8846 -7.5678 -7.5678 -7.3959 -7.3959 -7.3144 -7.3144 -7.2551 -7.2551 0.2187 0.2187 0.4236 0.4236 0.9286 0.9286 1.0942 1.0942 1.2255 1.2255 1.7250 1.7250 1.7834 1.7834 1.8866 1.8866 2.0696 2.0696 2.2016 2.2016 2.2734 2.2734 2.4268 2.4268 2.6254 2.6254 2.7907 2.7907 3.2297 3.2297 3.5099 3.5099 4.0741 4.0741 4.1285 4.1285 4.6711 4.6711 5.5399 5.5399 5.7867 5.7867 5.8011 5.8011 5.9113 5.9113 6.4495 6.4495 7.0191 7.0191 7.0498 7.0498 k =-0.4778 0.3274-0.0000 ( 12194 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1736 -8.1736 -7.8838 -7.8838 -7.5699 -7.5699 -7.3965 -7.3965 -7.3141 -7.3141 -7.2546 -7.2546 0.2231 0.2231 0.4249 0.4249 0.9276 0.9276 1.0948 1.0948 1.2269 1.2269 1.7142 1.7142 1.7791 1.7791 1.8780 1.8780 2.0570 2.0570 2.2112 2.2112 2.2923 2.2923 2.4323 2.4323 2.6258 2.6258 2.7908 2.7908 3.2310 3.2310 3.5056 3.5056 4.0697 4.0697 4.1304 4.1304 4.6701 4.6701 5.5430 5.5430 5.7866 5.7866 5.8010 5.8010 5.9078 5.9078 6.4568 6.4568 7.0166 7.0166 7.0490 7.0490 k =-0.4667 0.3466-0.0000 ( 12196 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1725 -8.1725 -7.8825 -7.8825 -7.5733 -7.5733 -7.3974 -7.3974 -7.3136 -7.3136 -7.2538 -7.2538 0.2303 0.2303 0.4271 0.4271 0.9260 0.9260 1.0958 1.0958 1.2293 1.2293 1.6966 1.6966 1.7714 1.7714 1.8669 1.8669 2.0382 2.0382 2.2288 2.2288 2.3167 2.3167 2.4409 2.4409 2.6263 2.6264 2.7911 2.7911 3.2331 3.2331 3.4985 3.4985 4.0619 4.0619 4.1342 4.1342 4.6685 4.6685 5.5479 5.5479 5.7864 5.7864 5.8007 5.8007 5.9019 5.9019 6.4686 6.4686 7.0124 7.0124 7.0477 7.0477 k =-0.4556 0.3658-0.0000 ( 12198 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1709 -8.1709 -7.8806 -7.8806 -7.5778 -7.5778 -7.3986 -7.3986 -7.3128 -7.3128 -7.2528 -7.2528 0.2400 0.2400 0.4300 0.4300 0.9239 0.9239 1.0973 1.0973 1.2328 1.2328 1.6729 1.6729 1.7606 1.7606 1.8556 1.8556 2.0164 2.0164 2.2521 2.2521 2.3431 2.3431 2.4520 2.4520 2.6273 2.6273 2.7918 2.7918 3.2360 3.2360 3.4891 3.4891 4.0507 4.0507 4.1400 4.1400 4.6662 4.6662 5.5546 5.5546 5.7862 5.7862 5.8003 5.8003 5.8939 5.8939 6.4848 6.4848 7.0065 7.0065 7.0459 7.0459 k =-0.4445 0.3850-0.0000 ( 12216 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1689 -8.1689 -7.8783 -7.8783 -7.5836 -7.5836 -7.4001 -7.4001 -7.3118 -7.3118 -7.2516 -7.2516 0.2518 0.2518 0.4337 0.4337 0.9215 0.9215 1.0992 1.0992 1.2372 1.2372 1.6443 1.6443 1.7473 1.7473 1.8450 1.8450 1.9941 1.9941 2.2784 2.2784 2.3695 2.3695 2.4647 2.4647 2.6288 2.6288 2.7930 2.7930 3.2399 3.2399 3.4777 3.4777 4.0363 4.0363 4.1476 4.1476 4.6635 4.6635 5.5629 5.5629 5.7858 5.7858 5.7998 5.7998 5.8838 5.8838 6.5049 6.5049 6.9990 6.9990 7.0436 7.0436 k =-0.4334 0.4042-0.0000 ( 12210 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1667 -8.1667 -7.8754 -7.8754 -7.5903 -7.5903 -7.4017 -7.4017 -7.3107 -7.3107 -7.2504 -7.2504 0.2654 0.2654 0.4379 0.4379 0.9190 0.9190 1.1015 1.1015 1.2427 1.2427 1.6121 1.6121 1.7323 1.7323 1.8348 1.8348 1.9731 1.9731 2.3056 2.3056 2.3949 2.3949 2.4776 2.4776 2.6309 2.6309 2.7951 2.7951 3.2446 3.2446 3.4647 3.4647 4.0196 4.0196 4.1566 4.1566 4.6605 4.6605 5.5726 5.5726 5.7851 5.7851 5.7993 5.7993 5.8720 5.8720 6.5284 6.5284 6.9899 6.9899 7.0409 7.0409 k =-0.4223 0.4234-0.0000 ( 12210 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1643 -8.1643 -7.8721 -7.8721 -7.5978 -7.5978 -7.4034 -7.4034 -7.3093 -7.3093 -7.2492 -7.2492 0.2800 0.2800 0.4426 0.4426 0.9169 0.9169 1.1042 1.1042 1.2491 1.2491 1.5778 1.5778 1.7163 1.7163 1.8246 1.8246 1.9544 1.9544 2.3324 2.3324 2.4185 2.4185 2.4898 2.4898 2.6335 2.6335 2.7981 2.7981 3.2503 3.2503 3.4506 3.4506 4.0012 4.0012 4.1665 4.1665 4.6571 4.6571 5.5835 5.5835 5.7841 5.7841 5.7988 5.7988 5.8587 5.8587 6.5548 6.5548 6.9793 6.9793 7.0377 7.0377 k =-0.4112 0.4426-0.0000 ( 12230 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1618 -8.1618 -7.8683 -7.8683 -7.6059 -7.6059 -7.4052 -7.4052 -7.3078 -7.3078 -7.2480 -7.2480 0.2951 0.2951 0.4476 0.4476 0.9155 0.9155 1.1073 1.1073 1.2563 1.2563 1.5427 1.5427 1.7001 1.7001 1.8145 1.8145 1.9384 1.9384 2.3580 2.3580 2.4397 2.4397 2.5005 2.5005 2.6365 2.6365 2.8023 2.8023 3.2569 3.2569 3.4359 3.4359 3.9819 3.9819 4.1767 4.1767 4.6537 4.6537 5.5954 5.5954 5.7824 5.7824 5.7982 5.7982 5.8446 5.8446 6.5835 6.5835 6.9672 6.9672 7.0341 7.0341 k =-0.4001 0.4618-0.0000 ( 12230 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1594 -8.1594 -7.8640 -7.8640 -7.6144 -7.6144 -7.4071 -7.4071 -7.3060 -7.3060 -7.2471 -7.2471 0.3096 0.3096 0.4526 0.4526 0.9154 0.9154 1.1107 1.1107 1.2642 1.2642 1.5076 1.5076 1.6843 1.6843 1.8046 1.8046 1.9252 1.9252 2.3818 2.3818 2.4577 2.4577 2.5096 2.5096 2.6394 2.6394 2.8073 2.8073 3.2643 3.2643 3.4214 3.4214 3.9627 3.9627 4.1868 4.1868 4.6503 4.6503 5.6081 5.6081 5.7793 5.7793 5.7977 5.7977 5.8307 5.8307 6.6139 6.6139 6.9539 6.9539 7.0300 7.0300 k =-0.3890 0.4810-0.0000 ( 12234 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1571 -8.1571 -7.8593 -7.8593 -7.6231 -7.6231 -7.4090 -7.4090 -7.3041 -7.3041 -7.2463 -7.2463 0.3228 0.3228 0.4575 0.4575 0.9170 0.9170 1.1141 1.1141 1.2725 1.2725 1.4736 1.4736 1.6696 1.6696 1.7952 1.7952 1.9146 1.9146 2.4032 2.4032 2.4719 2.4719 2.5173 2.5173 2.6419 2.6419 2.8130 2.8130 3.2724 3.2724 3.4074 3.4074 3.9444 3.9444 4.1963 4.1963 4.6470 4.6470 5.6213 5.6213 5.7738 5.7738 5.7972 5.7972 5.8184 5.8184 6.6451 6.6451 6.9394 6.9394 7.0257 7.0257 k =-0.3779 0.5002-0.0000 ( 12224 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1553 -8.1553 -7.8542 -7.8542 -7.6316 -7.6316 -7.4110 -7.4110 -7.3021 -7.3021 -7.2457 -7.2457 0.3339 0.3339 0.4620 0.4620 0.9209 0.9209 1.1175 1.1175 1.2811 1.2811 1.4415 1.4415 1.6568 1.6568 1.7868 1.7868 1.9063 1.9063 2.4218 2.4218 2.4814 2.4814 2.5246 2.5246 2.6436 2.6436 2.8187 2.8187 3.2807 3.2807 3.3948 3.3948 3.9277 3.9277 4.2047 4.2047 4.6441 4.6441 5.6348 5.6348 5.7646 5.7646 5.7967 5.7967 5.8095 5.8095 6.6766 6.6766 6.9238 6.9238 7.0210 7.0210 k =-0.3668 0.5194-0.0000 ( 12234 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7974 -28.7974 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1539 -8.1539 -7.8486 -7.8486 -7.6397 -7.6397 -7.4130 -7.4130 -7.2999 -7.2999 -7.2454 -7.2454 0.3421 0.3421 0.4657 0.4657 0.9268 0.9268 1.1206 1.1206 1.2899 1.2899 1.4123 1.4123 1.6464 1.6464 1.7799 1.7799 1.9001 1.9001 2.4371 2.4371 2.4862 2.4862 2.5316 2.5316 2.6445 2.6445 2.8236 2.8236 3.2888 3.2888 3.3842 3.3842 3.9133 3.9133 4.2117 4.2117 4.6416 4.6416 5.6482 5.6482 5.7521 5.7521 5.7963 5.7963 5.8042 5.8042 6.7076 6.7076 6.9074 6.9074 7.0161 7.0161 k =-0.3557 0.5386-0.0000 ( 12246 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1533 -8.1533 -7.8427 -7.8427 -7.6471 -7.6471 -7.4151 -7.4151 -7.2975 -7.2975 -7.2453 -7.2453 0.3469 0.3469 0.4683 0.4683 0.9345 0.9345 1.1231 1.1231 1.2987 1.2987 1.3873 1.3873 1.6388 1.6388 1.7748 1.7748 1.8959 1.8959 2.4485 2.4485 2.4873 2.4873 2.5379 2.5379 2.6444 2.6444 2.8274 2.8274 3.2957 3.2957 3.3765 3.3765 3.9018 3.9018 4.2169 4.2169 4.6396 4.6396 5.6609 5.6609 5.7386 5.7386 5.7961 5.7961 5.8014 5.8014 6.7373 6.7373 6.8903 6.8903 7.0110 7.0110 k =-0.3446 0.5578-0.0000 ( 12248 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1536 -8.1536 -7.8365 -7.8365 -7.6536 -7.6536 -7.4172 -7.4172 -7.2950 -7.2950 -7.2454 -7.2454 0.3481 0.3481 0.4695 0.4695 0.9429 0.9429 1.1247 1.1247 1.3061 1.3061 1.3696 1.3696 1.6341 1.6341 1.7720 1.7720 1.8936 1.8936 2.4550 2.4550 2.4861 2.4861 2.5430 2.5430 2.6435 2.6435 2.8294 2.8294 3.3004 3.3004 3.3726 3.3726 3.8938 3.8938 4.2200 4.2200 4.6382 4.6382 5.6714 5.6714 5.7268 5.7268 5.7959 5.7959 5.7999 5.7999 6.7648 6.7648 6.8729 6.8729 7.0061 7.0061 k =-0.3335 0.5770-0.0000 ( 12262 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3647 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1550 -8.1550 -7.8299 -7.8299 -7.6589 -7.6589 -7.4194 -7.4194 -7.2924 -7.2924 -7.2458 -7.2458 0.3457 0.3457 0.4691 0.4691 0.9507 0.9507 1.1251 1.1251 1.3077 1.3077 1.3651 1.3651 1.6321 1.6321 1.7717 1.7717 1.8931 1.8931 2.4560 2.4560 2.4837 2.4837 2.5470 2.5470 2.6418 2.6418 2.8294 2.8294 3.3016 3.3016 3.3735 3.3735 3.8895 3.8895 4.2207 4.2207 4.6375 4.6375 5.6763 5.6763 5.7212 5.7212 5.7958 5.7958 5.7993 5.7993 6.7887 6.7887 6.8558 6.8558 7.0014 7.0014 k =-0.3335 0.5770-0.0000 ( 12262 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3647 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5698 -28.5698 -28.4510 -28.4510 -8.1550 -8.1550 -7.8299 -7.8299 -7.6589 -7.6589 -7.4194 -7.4194 -7.2924 -7.2924 -7.2458 -7.2458 0.3457 0.3457 0.4691 0.4691 0.9507 0.9507 1.1251 1.1251 1.3077 1.3077 1.3651 1.3651 1.6321 1.6321 1.7717 1.7717 1.8931 1.8931 2.4560 2.4560 2.4837 2.4837 2.5470 2.5470 2.6418 2.6418 2.8294 2.8294 3.3016 3.3016 3.3735 3.3735 3.8895 3.8895 4.2207 4.2207 4.6375 4.6375 5.6763 5.6763 5.7212 5.7212 5.7958 5.7958 5.7993 5.7993 6.7887 6.7887 6.8558 6.8558 7.0014 7.0014 k =-0.3335 0.5770 0.0219 ( 12250 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3647 -29.3646 -29.3584 -29.3584 -28.7973 -28.7973 -28.7787 -28.7787 -28.5697 -28.5697 -28.4511 -28.4511 -8.1544 -8.1544 -7.8297 -7.8297 -7.6586 -7.6586 -7.4199 -7.4199 -7.2927 -7.2927 -7.2464 -7.2464 0.3405 0.3458 0.4694 0.4767 0.9469 0.9524 1.1201 1.1237 1.3008 1.3131 1.3640 1.3675 1.6197 1.6415 1.7728 1.7812 1.8863 1.9036 2.4450 2.4548 2.4598 2.5061 2.5400 2.5602 2.6272 2.6551 2.8250 2.8406 3.3021 3.3027 3.3763 3.3776 3.8842 3.8846 4.2191 4.2207 4.6418 4.6449 5.6747 5.6777 5.7208 5.7212 5.7957 5.7958 5.7974 5.8007 6.7870 6.7886 6.8539 6.8558 6.9989 6.9992 k =-0.3335 0.5770 0.0439 ( 12238 PWs) bands (ev): -52.6358 -52.6358 -52.6235 -52.6235 -29.3646 -29.3646 -29.3584 -29.3584 -28.7973 -28.7972 -28.7787 -28.7787 -28.5695 -28.5694 -28.4514 -28.4514 -8.1527 -8.1527 -7.8292 -7.8291 -7.6577 -7.6577 -7.4215 -7.4214 -7.2934 -7.2933 -7.2481 -7.2480 0.3317 0.3407 0.4774 0.4905 0.9411 0.9519 1.1093 1.1162 1.2928 1.3166 1.3639 1.3709 1.6066 1.6460 1.7861 1.7990 1.8833 1.9171 2.4195 2.4355 2.4515 2.5135 2.5516 2.5719 2.6128 2.6669 2.8270 2.8580 3.3039 3.3056 3.3856 3.3883 3.8691 3.8702 4.2161 4.2188 4.6575 4.6634 5.6728 5.6788 5.7200 5.7208 5.7948 5.7955 5.7959 5.8016 6.7834 6.7867 6.8503 6.8541 6.9917 6.9924 k =-0.3335 0.5770 0.0658 ( 12223 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3646 -29.3645 -29.3585 -29.3584 -28.7972 -28.7972 -28.7788 -28.7788 -28.5690 -28.5689 -28.4519 -28.4518 -8.1499 -8.1498 -7.8282 -7.8282 -7.6563 -7.6562 -7.4241 -7.4240 -7.2945 -7.2945 -7.2508 -7.2507 0.3214 0.3325 0.4912 0.5084 0.9338 0.9492 1.0936 1.1036 1.2838 1.3179 1.3643 1.3749 1.5939 1.6458 1.8105 1.8236 1.8843 1.9329 2.3869 2.4215 2.4314 2.5162 2.5683 2.5806 2.6024 2.6773 2.8349 2.8807 3.3070 3.3103 3.4010 3.4053 3.8457 3.8477 4.2117 4.2149 4.6834 4.6914 5.6706 5.6797 5.7188 5.7199 5.7918 5.7950 5.7955 5.8019 6.7781 6.7831 6.8451 6.8508 6.9801 6.9810 k =-0.3335 0.5770 0.0877 ( 12223 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7971 -28.7971 -28.7789 -28.7788 -28.5684 -28.5683 -28.4526 -28.4525 -8.1460 -8.1459 -7.8268 -7.8268 -7.6542 -7.6541 -7.4278 -7.4276 -7.2960 -7.2960 -7.2546 -7.2545 0.3110 0.3230 0.5084 0.5286 0.9252 0.9443 1.0746 1.0872 1.2742 1.3169 1.3644 1.3788 1.5822 1.6428 1.8434 1.8539 1.8895 1.9504 2.3544 2.4054 2.4075 2.5141 2.5775 2.5863 2.6045 2.6868 2.8479 2.9073 3.3112 3.3166 3.4215 3.4273 3.8156 3.8191 4.2060 4.2091 4.7178 4.7272 5.6682 5.6803 5.7172 5.7188 5.7882 5.7943 5.7950 5.8017 6.7714 6.7779 6.8385 6.8460 6.9642 6.9653 k =-0.3335 0.5770 0.1097 ( 12223 PWs) bands (ev): -52.6356 -52.6356 -52.6236 -52.6236 -29.3645 -29.3643 -29.3585 -29.3584 -28.7970 -28.7969 -28.7790 -28.7790 -28.5676 -28.5675 -28.4535 -28.4534 -8.1410 -8.1409 -7.8251 -7.8251 -7.6516 -7.6515 -7.4325 -7.4323 -7.2980 -7.2979 -7.2593 -7.2592 0.3013 0.3137 0.5276 0.5499 0.9156 0.9376 1.0532 1.0684 1.2640 1.3136 1.3637 1.3819 1.5716 1.6385 1.8803 1.8888 1.9003 1.9686 2.3231 2.3778 2.3936 2.5028 2.5841 2.5899 2.6170 2.6967 2.8646 2.9361 3.3166 3.3244 3.4462 3.4534 3.7808 3.7865 4.1989 4.2015 4.7588 4.7689 5.6654 5.6806 5.7153 5.7172 5.7839 5.7932 5.7942 5.8010 6.7635 6.7715 6.8309 6.8400 6.9442 6.9454 k =-0.3335 0.5770 0.1316 ( 12222 PWs) bands (ev): -52.6355 -52.6355 -52.6237 -52.6237 -29.3644 -29.3642 -29.3586 -29.3584 -28.7968 -28.7968 -28.7792 -28.7791 -28.5667 -28.5665 -28.4546 -28.4544 -8.1349 -8.1348 -7.8230 -7.8230 -7.6484 -7.6482 -7.4381 -7.4379 -7.3003 -7.3003 -7.2650 -7.2649 0.2930 0.3053 0.5475 0.5715 0.9056 0.9294 1.0306 1.0483 1.2533 1.3079 1.3619 1.3835 1.5627 1.6341 1.9033 1.9270 1.9325 1.9871 2.2938 2.3504 2.3803 2.4844 2.5920 2.5932 2.6329 2.7080 2.8833 2.9654 3.3229 3.3335 3.4739 3.4821 3.7431 3.7519 4.1906 4.1921 4.8049 4.8152 5.6624 5.6807 5.7130 5.7152 5.7789 5.7915 5.7931 5.7997 6.7546 6.7641 6.8226 6.8333 6.9206 6.9218 k =-0.3335 0.5770 0.1535 ( 12219 PWs) bands (ev): -52.6354 -52.6354 -52.6238 -52.6238 -29.3643 -29.3641 -29.3586 -29.3584 -28.7966 -28.7966 -28.7793 -28.7793 -28.5656 -28.5653 -28.4558 -28.4556 -8.1278 -8.1276 -7.8207 -7.8206 -7.6446 -7.6445 -7.4448 -7.4446 -7.3030 -7.3030 -7.2716 -7.2714 0.2862 0.2984 0.5673 0.5924 0.8953 0.9201 1.0074 1.0278 1.2421 1.2998 1.3587 1.3826 1.5562 1.6305 1.9170 1.9657 1.9792 2.0070 2.2669 2.3246 2.3681 2.4629 2.5932 2.6021 2.6525 2.7220 2.9022 2.9939 3.3301 3.3438 3.5034 3.5120 3.7042 3.7172 4.1810 4.1811 4.8547 4.8646 5.6590 5.6805 5.7103 5.7129 5.7732 5.7893 5.7914 5.7978 6.7450 6.7559 6.8141 6.8262 6.8938 6.8949 k =-0.3335 0.5770 0.1755 ( 12226 PWs) bands (ev): -52.6353 -52.6353 -52.6239 -52.6239 -29.3642 -29.3640 -29.3587 -29.3584 -28.7964 -28.7964 -28.7795 -28.7795 -28.5643 -28.5641 -28.4573 -28.4570 -8.1198 -8.1195 -7.8180 -7.8180 -7.6404 -7.6403 -7.4524 -7.4522 -7.3060 -7.3060 -7.2790 -7.2788 0.2812 0.2931 0.5863 0.6120 0.8852 0.9100 0.9844 1.0078 1.2304 1.2894 1.3539 1.3782 1.5535 1.6288 1.9307 1.9965 2.0294 2.0346 2.2429 2.3010 2.3573 2.4403 2.5938 2.6090 2.6770 2.7398 2.9195 3.0199 3.3380 3.3549 3.5330 3.5410 3.6661 3.6848 4.1687 4.1702 4.9070 4.9163 5.6553 5.6800 5.7074 5.7103 5.7667 5.7862 5.7893 5.7952 6.7349 6.7472 6.8055 6.8188 6.8646 6.8656 k =-0.3335 0.5770 0.1974 ( 12226 PWs) bands (ev): -52.6351 -52.6351 -52.6241 -52.6241 -29.3641 -29.3638 -29.3587 -29.3585 -28.7962 -28.7961 -28.7798 -28.7797 -28.5629 -28.5626 -28.4589 -28.4586 -8.1107 -8.1105 -7.8150 -7.8150 -7.6358 -7.6356 -7.4609 -7.4607 -7.3093 -7.3093 -7.2870 -7.2868 0.2781 0.2897 0.6037 0.6296 0.8755 0.8996 0.9618 0.9888 1.2181 1.2769 1.3470 1.3695 1.5558 1.6299 1.9444 2.0135 2.0743 2.0811 2.2221 2.2802 2.3483 2.4181 2.5944 2.6142 2.7061 2.7623 2.9339 3.0422 3.3463 3.3665 3.5593 3.5651 3.6328 3.6592 4.1549 4.1584 4.9612 4.9695 5.6513 5.6792 5.7040 5.7072 5.7594 5.7824 5.7865 5.7921 6.7239 6.7375 6.7969 6.8105 6.8346 6.8360 k =-0.3335 0.5770 0.2193 ( 12226 PWs) bands (ev): -52.6350 -52.6350 -52.6242 -52.6242 -29.3640 -29.3637 -29.3588 -29.3585 -28.7959 -28.7959 -28.7800 -28.7800 -28.5614 -28.5610 -28.4605 -28.4602 -8.1008 -8.1006 -7.8119 -7.8119 -7.6307 -7.6305 -7.4702 -7.4700 -7.3129 -7.3128 -7.2957 -7.2955 0.2769 0.2882 0.6193 0.6445 0.8666 0.8892 0.9401 0.9713 1.2052 1.2623 1.3377 1.3559 1.5642 1.6347 1.9577 2.0229 2.1177 2.1327 2.2054 2.2628 2.3415 2.3969 2.5953 2.6185 2.7394 2.7899 2.9442 3.0594 3.3544 3.3779 3.5679 3.5743 3.6194 3.6507 4.1400 4.1456 5.0163 5.0234 5.6471 5.6780 5.7003 5.7038 5.7515 5.7776 5.7831 5.7883 6.7110 6.7255 6.7859 6.7951 6.8085 6.8153 k =-0.3335 0.5770 0.2413 ( 12229 PWs) bands (ev): -52.6348 -52.6348 -52.6244 -52.6244 -29.3639 -29.3635 -29.3589 -29.3585 -28.7957 -28.7956 -28.7803 -28.7802 -28.5597 -28.5593 -28.4624 -28.4621 -8.0901 -8.0898 -7.8086 -7.8085 -7.6253 -7.6251 -7.4803 -7.4800 -7.3166 -7.3166 -7.3050 -7.3047 0.2776 0.2886 0.6325 0.6562 0.8586 0.8792 0.9194 0.9556 1.1914 1.2461 1.3257 1.3379 1.5789 1.6441 1.9700 2.0279 2.1566 2.1815 2.1958 2.2501 2.3373 2.3777 2.5973 2.6231 2.7758 2.8226 2.9496 3.0701 3.3619 3.3881 3.5500 3.5647 3.6362 3.6637 4.1241 4.1320 5.0720 5.0777 5.6426 5.6764 5.6963 5.7001 5.7431 5.7721 5.7792 5.7839 6.6932 6.7070 6.7676 6.7729 6.7955 6.8082 k =-0.3335 0.5770 0.2632 ( 12217 PWs) bands (ev): -52.6347 -52.6347 -52.6245 -52.6245 -29.3637 -29.3634 -29.3589 -29.3586 -28.7954 -28.7953 -28.7806 -28.7805 -28.5579 -28.5575 -28.4643 -28.4640 -8.0787 -8.0784 -7.8051 -7.8051 -7.6198 -7.6195 -7.4908 -7.4905 -7.3205 -7.3205 -7.3146 -7.3144 0.2803 0.2909 0.6431 0.6644 0.8517 0.8699 0.9000 0.9421 1.1770 1.2284 1.3110 1.3162 1.5998 1.6586 1.9812 2.0298 2.1691 2.2115 2.2156 2.2516 2.3369 2.3617 2.6014 2.6290 2.8138 2.8602 2.9510 3.0731 3.3679 3.3957 3.5311 3.5500 3.6593 3.6849 4.1072 4.1177 5.1278 5.1318 5.6379 5.6742 5.6919 5.6960 5.7343 5.7657 5.7747 5.7789 6.6668 6.6780 6.7510 6.7583 6.7911 6.8056 k =-0.3335 0.5770 0.2851 ( 12222 PWs) bands (ev): -52.6345 -52.6345 -52.6247 -52.6247 -29.3636 -29.3632 -29.3590 -29.3586 -28.7951 -28.7951 -28.7809 -28.7808 -28.5560 -28.5556 -28.4664 -28.4660 -8.0666 -8.0663 -7.8015 -7.8015 -7.6142 -7.6139 -7.5017 -7.5014 -7.3248 -7.3246 -7.3244 -7.3243 0.2848 0.2950 0.6508 0.6689 0.8460 0.8614 0.8823 0.9308 1.1618 1.2095 1.2917 1.2936 1.6262 1.6784 1.9911 2.0296 2.1645 2.2180 2.2385 2.2782 2.3425 2.3536 2.6091 2.6374 2.8488 2.9018 2.9520 3.0679 3.3714 3.3989 3.5208 3.5387 3.6810 3.7062 4.0895 4.1026 5.1833 5.1854 5.6332 5.6715 5.6872 5.6917 5.7255 5.7587 5.7698 5.7735 6.6319 6.6405 6.7420 6.7520 6.7907 6.8057 k =-0.3335 0.5770 0.3071 ( 12222 PWs) bands (ev): -52.6343 -52.6343 -52.6249 -52.6249 -29.3635 -29.3630 -29.3591 -29.3587 -28.7948 -28.7947 -28.7812 -28.7811 -28.5540 -28.5536 -28.4685 -28.4681 -8.0540 -8.0537 -7.7980 -7.7979 -7.6089 -7.6085 -7.5125 -7.5123 -7.3350 -7.3347 -7.3285 -7.3285 0.2911 0.3009 0.6555 0.6697 0.8413 0.8539 0.8669 0.9218 1.1460 1.1897 1.2655 1.2740 1.6577 1.7030 1.9996 2.0279 2.1601 2.2139 2.2555 2.2922 2.3554 2.3638 2.6219 2.6495 2.8694 2.9454 2.9645 3.0557 3.3715 3.3973 3.5205 3.5334 3.6994 3.7248 4.0711 4.0868 5.2381 5.2383 5.6286 5.6681 5.6823 5.6872 5.7170 5.7512 5.7647 5.7676 6.5914 6.5982 6.7392 6.7514 6.7933 6.8085 k =-0.3335 0.5770 0.3290 ( 12213 PWs) bands (ev): -52.6342 -52.6342 -52.6251 -52.6251 -29.3633 -29.3629 -29.3591 -29.3588 -28.7945 -28.7944 -28.7815 -28.7814 -28.5520 -28.5516 -28.4707 -28.4703 -8.0410 -8.0407 -7.7944 -7.7944 -7.6043 -7.6039 -7.5227 -7.5225 -7.3455 -7.3452 -7.3325 -7.3324 0.2991 0.3085 0.6570 0.6671 0.8367 0.8475 0.8551 0.9151 1.1297 1.1693 1.2382 1.2528 1.6937 1.7321 2.0068 2.0255 2.1576 2.2110 2.2619 2.2878 2.3718 2.3885 2.6411 2.6654 2.8674 2.9825 2.9978 3.0450 3.3675 3.3922 3.5285 3.5347 3.7137 3.7396 4.0520 4.0703 5.2898 5.2923 5.6242 5.6638 5.6772 5.6827 5.7091 5.7434 5.7595 5.7616 6.5479 6.5534 6.7411 6.7547 6.7990 6.8140 k =-0.3335 0.5770 0.3509 ( 12217 PWs) bands (ev): -52.6340 -52.6340 -52.6252 -52.6252 -29.3631 -29.3627 -29.3592 -29.3588 -28.7942 -28.7941 -28.7818 -28.7817 -28.5500 -28.5496 -28.4728 -28.4725 -8.0278 -8.0275 -7.7909 -7.7909 -7.6013 -7.6008 -7.5313 -7.5312 -7.3561 -7.3558 -7.3364 -7.3363 0.3086 0.3175 0.6553 0.6614 0.8304 0.8423 0.8490 0.9105 1.1130 1.1486 1.2107 1.2305 1.7333 1.7648 2.0129 2.0229 2.1570 2.2102 2.2620 2.2780 2.3861 2.4127 2.6669 2.6829 2.8548 2.9826 3.0437 3.0678 3.3594 3.3850 3.5420 3.5421 3.7233 3.7497 4.0322 4.0531 5.3399 5.3451 5.6202 5.6588 5.6721 5.6783 5.7021 5.7353 5.7545 5.7554 6.5028 6.5073 6.7469 6.7616 6.8077 6.8225 k =-0.3335 0.5770 0.3728 ( 12230 PWs) bands (ev): -52.6338 -52.6338 -52.6254 -52.6254 -29.3630 -29.3626 -29.3593 -29.3589 -28.7938 -28.7938 -28.7821 -28.7820 -28.5479 -28.5476 -28.4750 -28.4747 -8.0146 -8.0142 -7.7876 -7.7876 -7.6011 -7.6005 -7.5370 -7.5370 -7.3667 -7.3664 -7.3401 -7.3400 0.3195 0.3278 0.6504 0.6531 0.8233 0.8382 0.8481 0.9080 1.0961 1.1279 1.1837 1.2077 1.7759 1.8001 2.0180 2.0206 2.1583 2.2114 2.2589 2.2676 2.3955 2.4316 2.6940 2.6968 2.8468 2.9571 3.0946 3.1144 3.3474 3.3764 3.5543 3.5587 3.7281 3.7546 4.0119 4.0350 5.3881 5.3963 5.6169 5.6532 5.6671 5.6742 5.6962 5.7271 5.7493 5.7499 6.4571 6.4607 6.7562 6.7717 6.8194 6.8338 k =-0.3335 0.5770 0.3948 ( 12210 PWs) bands (ev): -52.6336 -52.6336 -52.6256 -52.6256 -29.3628 -29.3624 -29.3593 -29.3590 -28.7935 -28.7934 -28.7824 -28.7823 -28.5459 -28.5455 -28.4771 -28.4768 -8.0015 -8.0012 -7.7845 -7.7844 -7.6043 -7.6037 -7.5390 -7.5390 -7.3771 -7.3768 -7.3435 -7.3435 0.3314 0.3392 0.6427 0.6429 0.8175 0.8351 0.8505 0.9074 1.0792 1.1075 1.1579 1.1850 1.8204 1.8369 2.0188 2.0223 2.1613 2.2144 2.2543 2.2579 2.4000 2.4449 2.6879 2.7256 2.8565 2.9302 3.1475 3.1645 3.3321 3.3670 3.5701 3.5770 3.7281 3.7540 3.9912 4.0162 5.4339 5.4452 5.6145 5.6472 5.6624 5.6705 5.6916 5.7191 5.7435 5.7460 6.4117 6.4145 6.7688 6.7850 6.8342 6.8480 k =-0.3335 0.5770 0.4167 ( 12198 PWs) bands (ev): -52.6335 -52.6335 -52.6257 -52.6257 -29.3627 -29.3623 -29.3594 -29.3590 -28.7932 -28.7931 -28.7827 -28.7826 -28.5440 -28.5436 -28.4791 -28.4787 -7.9889 -7.9886 -7.7816 -7.7816 -7.6106 -7.6101 -7.5373 -7.5373 -7.3873 -7.3870 -7.3467 -7.3467 0.3442 0.3512 0.6312 0.6325 0.8138 0.8328 0.8552 0.9084 1.0625 1.0876 1.1342 1.1630 1.8655 1.8738 2.0177 2.0260 2.1660 2.2187 2.2491 2.2499 2.4005 2.4539 2.6640 2.7433 2.8847 2.9143 3.2001 3.2119 3.3142 3.3584 3.5884 3.5953 3.7239 3.7479 3.9702 3.9965 5.4764 5.4911 5.6135 5.6411 5.6580 5.6674 5.6881 5.7112 5.7384 5.7431 6.3673 6.3693 6.7847 6.8014 6.8518 6.8650 k =-0.3335 0.5770 0.4386 ( 12194 PWs) bands (ev): -52.6333 -52.6333 -52.6259 -52.6259 -29.3625 -29.3622 -29.3594 -29.3591 -28.7929 -28.7928 -28.7830 -28.7829 -28.5422 -28.5419 -28.4809 -28.4806 -7.9772 -7.9769 -7.7791 -7.7791 -7.6187 -7.6182 -7.5333 -7.5333 -7.3970 -7.3968 -7.3495 -7.3495 0.3574 0.3636 0.6187 0.6207 0.8122 0.8311 0.8619 0.9108 1.0460 1.0685 1.1134 1.1422 1.9093 1.9096 2.0174 2.0295 2.1726 2.2226 2.2437 2.2452 2.3982 2.4591 2.6312 2.7387 2.9208 2.9232 3.2473 3.2481 3.2983 3.3575 3.6079 3.6113 3.7171 3.7365 3.9494 3.9763 5.5149 5.5321 5.6146 5.6354 5.6543 5.6650 5.6858 5.7038 5.7342 5.7416 6.3250 6.3262 6.8037 6.8209 6.8721 6.8845 k =-0.3335 0.5770 0.4606 ( 12198 PWs) bands (ev): -52.6332 -52.6332 -52.6260 -52.6260 -29.3624 -29.3621 -29.3594 -29.3592 -28.7926 -28.7926 -28.7832 -28.7832 -28.5406 -28.5404 -28.4825 -28.4823 -7.9666 -7.9664 -7.7769 -7.7769 -7.6271 -7.6266 -7.5281 -7.5280 -7.4061 -7.4059 -7.3519 -7.3519 0.3704 0.3758 0.6062 0.6082 0.8124 0.8296 0.8702 0.9140 1.0303 1.0506 1.0965 1.1232 1.9414 1.9500 2.0184 2.0330 2.1814 2.2232 2.2391 2.2464 2.3942 2.4599 2.5980 2.7144 2.9475 2.9656 3.2547 3.2595 3.3179 3.3762 3.6211 3.6272 3.7111 3.7210 3.9294 3.9557 5.5479 5.5650 5.6192 5.6302 5.6516 5.6632 5.6847 5.6971 5.7317 5.7419 6.2860 6.2864 6.8256 6.8431 6.8947 6.9060 k =-0.3335 0.5770 0.4825 ( 12193 PWs) bands (ev): -52.6331 -52.6331 -52.6261 -52.6261 -29.3623 -29.3621 -29.3595 -29.3592 -28.7924 -28.7924 -28.7834 -28.7834 -28.5393 -28.5390 -28.4839 -28.4837 -7.9577 -7.9575 -7.7752 -7.7752 -7.6347 -7.6343 -7.5226 -7.5226 -7.4140 -7.4139 -7.3538 -7.3538 0.3826 0.3869 0.5945 0.5962 0.8139 0.8282 0.8799 0.9171 1.0161 1.0342 1.0840 1.1065 1.9680 1.9821 2.0222 2.0371 2.1927 2.2206 2.2362 2.2528 2.3895 2.4529 2.5729 2.6813 2.9834 3.0081 3.2316 3.2480 3.3634 3.4110 3.6202 3.6423 3.7046 3.7102 3.9114 3.9355 5.5742 5.5854 5.6258 5.6282 5.6508 5.6620 5.6846 5.6916 5.7317 5.7439 6.2518 6.2519 6.8503 6.8681 6.9189 6.9286 k =-0.3335 0.5770 0.5044 ( 12197 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3622 -29.3620 -29.3595 -29.3593 -28.7923 -28.7923 -28.7835 -28.7835 -28.5382 -28.5381 -28.4849 -28.4848 -7.9509 -7.9508 -7.7739 -7.7739 -7.6407 -7.6405 -7.5179 -7.5178 -7.4205 -7.4204 -7.3552 -7.3552 0.3929 0.3959 0.5848 0.5859 0.8163 0.8266 0.8905 0.9187 1.0051 1.0199 1.0764 1.0926 1.9870 1.9995 2.0319 2.0422 2.2041 2.2174 2.2381 2.2599 2.3857 2.4351 2.5637 2.6469 3.0214 3.0472 3.2049 3.2260 3.4079 3.4471 3.6099 3.6428 3.6977 3.7137 3.8976 3.9169 5.5927 5.5950 5.6232 5.6341 5.6547 5.6613 5.6851 5.6880 5.7351 5.7467 6.2245 6.2249 6.8773 6.8952 6.9434 6.9496 k =-0.3335 0.5770 0.5264 ( 12185 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3620 -29.3594 -29.3594 -28.7922 -28.7922 -28.7836 -28.7836 -28.5375 -28.5375 -28.4855 -28.4854 -7.9466 -7.9465 -7.7731 -7.7731 -7.6446 -7.6445 -7.5145 -7.5145 -7.4247 -7.4247 -7.3561 -7.3560 0.4002 0.4018 0.5783 0.5789 0.8191 0.8245 0.9012 0.9168 0.9998 1.0085 1.0737 1.0822 1.9982 2.0042 2.0432 2.0470 2.2107 2.2149 2.2478 2.2635 2.3856 2.4119 2.5705 2.6151 3.0565 3.0763 3.1830 3.2006 3.4461 3.4717 3.6004 3.6252 3.7047 3.7162 3.8904 3.9014 5.6000 5.6018 5.6243 5.6330 5.6593 5.6610 5.6857 5.6865 5.7411 5.7482 6.2068 6.2071 6.9058 6.9225 6.9607 6.9637 k =-0.3335 0.5770 0.5483 ( 12182 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9451 -7.9451 -7.7729 -7.7729 -7.6459 -7.6459 -7.5133 -7.5133 -7.4262 -7.4262 -7.3563 -7.3563 0.4033 0.4033 0.5762 0.5762 0.8219 0.8219 0.9106 0.9106 1.0012 1.0012 1.0758 1.0758 2.0034 2.0034 2.0483 2.0483 2.2131 2.2131 2.2592 2.2592 2.3936 2.3936 2.5888 2.5888 3.0801 3.0801 3.1808 3.1808 3.4712 3.4712 3.6059 3.6059 3.7131 3.7131 3.8918 3.8918 5.6027 5.6027 5.6289 5.6289 5.6608 5.6608 5.6862 5.6862 5.7464 5.7464 6.2008 6.2008 6.9306 6.9306 6.9626 6.9626 k =-0.3335 0.5770 0.5483 ( 12182 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9451 -7.9451 -7.7729 -7.7729 -7.6459 -7.6459 -7.5133 -7.5133 -7.4262 -7.4262 -7.3563 -7.3563 0.4033 0.4033 0.5762 0.5762 0.8219 0.8219 0.9106 0.9106 1.0012 1.0012 1.0758 1.0758 2.0034 2.0034 2.0483 2.0483 2.2131 2.2131 2.2592 2.2592 2.3936 2.3936 2.5888 2.5888 3.0801 3.0801 3.1808 3.1808 3.4712 3.4712 3.6059 3.6059 3.7131 3.7131 3.8918 3.8918 5.6027 5.6027 5.6289 5.6289 5.6608 5.6608 5.6862 5.6862 5.7464 5.7464 6.2008 6.2008 6.9306 6.9306 6.9626 6.9626 k =-0.3446 0.5578 0.5483 ( 12190 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3620 -29.3620 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9427 -7.9427 -7.7776 -7.7776 -7.6478 -7.6478 -7.5110 -7.5110 -7.4192 -7.4192 -7.3614 -7.3614 0.4044 0.4044 0.5691 0.5691 0.8085 0.8085 0.9233 0.9233 1.0135 1.0135 1.0719 1.0719 2.0004 2.0004 2.0487 2.0487 2.2180 2.2180 2.2597 2.2597 2.3872 2.3872 2.5945 2.5945 3.0830 3.0830 3.1765 3.1765 3.4761 3.4761 3.5982 3.5982 3.7081 3.7081 3.8938 3.8938 5.6056 5.6056 5.6341 5.6341 5.6553 5.6553 5.6855 5.6855 5.7459 5.7459 6.2018 6.2018 6.9282 6.9282 6.9750 6.9750 k =-0.3557 0.5386 0.5483 ( 12198 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7921 -28.7921 -28.7836 -28.7836 -28.5373 -28.5373 -28.4857 -28.4857 -7.9409 -7.9409 -7.7821 -7.7821 -7.6504 -7.6504 -7.5081 -7.5081 -7.4116 -7.4116 -7.3661 -7.3661 0.4019 0.4019 0.5591 0.5591 0.7981 0.7981 0.9382 0.9382 1.0259 1.0259 1.0732 1.0732 1.9955 1.9955 2.0483 2.0483 2.2228 2.2228 2.2590 2.2590 2.3815 2.3815 2.6000 2.6000 3.0855 3.0855 3.1712 3.1712 3.4802 3.4802 3.5900 3.5900 3.7024 3.7024 3.8941 3.8941 5.6075 5.6075 5.6385 5.6385 5.6515 5.6515 5.6855 5.6855 5.7462 5.7462 6.2029 6.2029 6.9242 6.9242 6.9873 6.9873 k =-0.3668 0.5194 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9396 -7.9396 -7.7863 -7.7863 -7.6536 -7.6536 -7.5049 -7.5049 -7.4036 -7.4036 -7.3707 -7.3707 0.3958 0.3958 0.5467 0.5467 0.7919 0.7919 0.9543 0.9543 1.0379 1.0379 1.0789 1.0789 1.9898 1.9898 2.0468 2.0468 2.2256 2.2256 2.2587 2.2587 2.3765 2.3765 2.6054 2.6054 3.0875 3.0875 3.1652 3.1652 3.4835 3.4835 3.5813 3.5813 3.6964 3.6964 3.8928 3.8928 5.6079 5.6079 5.6395 5.6395 5.6522 5.6522 5.6863 5.6863 5.7473 5.7473 6.2040 6.2040 6.9196 6.9196 6.9984 6.9984 k =-0.3779 0.5002 0.5483 ( 12198 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7921 -28.7921 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9388 -7.9388 -7.7903 -7.7903 -7.6571 -7.6571 -7.5013 -7.5013 -7.3955 -7.3955 -7.3749 -7.3749 0.3865 0.3865 0.5324 0.5324 0.7900 0.7900 0.9708 0.9708 1.0497 1.0497 1.0881 1.0881 1.9836 1.9836 2.0444 2.0444 2.2243 2.2243 2.2609 2.2609 2.3722 2.3722 2.6105 2.6105 3.0891 3.0891 3.1587 3.1587 3.4859 3.4859 3.5722 3.5722 3.6901 3.6901 3.8901 3.8901 5.6064 5.6064 5.6378 5.6378 5.6567 5.6567 5.6879 5.6879 5.7489 5.7489 6.2050 6.2050 6.9149 6.9149 7.0068 7.0068 k =-0.3890 0.4810 0.5483 ( 12208 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9384 -7.9384 -7.7940 -7.7940 -7.6608 -7.6608 -7.4976 -7.4976 -7.3874 -7.3874 -7.3789 -7.3789 0.3748 0.3748 0.5169 0.5169 0.7919 0.7919 0.9876 0.9876 1.0614 1.0614 1.0997 1.0997 1.9772 1.9772 2.0413 2.0413 2.2186 2.2186 2.2660 2.2660 2.3686 2.3686 2.6154 2.6154 3.0900 3.0900 3.1519 3.1519 3.4874 3.4874 3.5629 3.5629 3.6838 3.6838 3.8864 3.8864 5.6034 5.6034 5.6363 5.6363 5.6617 5.6617 5.6907 5.6907 5.7509 5.7509 6.2061 6.2061 6.9105 6.9105 7.0105 7.0105 k =-0.4001 0.4618 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9384 -7.9384 -7.7974 -7.7974 -7.6645 -7.6645 -7.4938 -7.4938 -7.3826 -7.3826 -7.3796 -7.3796 0.3615 0.3615 0.5009 0.5009 0.7967 0.7967 1.0042 1.0042 1.0731 1.0731 1.1125 1.1125 1.9708 1.9708 2.0380 2.0380 2.2098 2.2098 2.2727 2.2727 2.3656 2.3656 2.6200 2.6200 3.0902 3.0902 3.1452 3.1452 3.4878 3.4878 3.5539 3.5539 3.6777 3.6777 3.8819 3.8819 5.5993 5.5993 5.6354 5.6354 5.6661 5.6661 5.6946 5.6946 5.7531 5.7531 6.2071 6.2071 6.9065 6.9065 7.0104 7.0104 k =-0.4112 0.4426 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9385 -7.9385 -7.8005 -7.8005 -7.6680 -7.6680 -7.4901 -7.4901 -7.3858 -7.3858 -7.3723 -7.3723 0.3474 0.3474 0.4850 0.4850 0.8036 0.8036 1.0203 1.0203 1.0843 1.0843 1.1260 1.1260 1.9646 1.9646 2.0346 2.0346 2.1994 2.1994 2.2800 2.2800 2.3629 2.3629 2.6244 2.6244 3.0896 3.0896 3.1390 3.1390 3.4868 3.4868 3.5456 3.5456 3.6720 3.6720 3.8770 3.8770 5.5948 5.5948 5.6349 5.6349 5.6695 5.6695 5.6994 5.6994 5.7555 5.7555 6.2081 6.2081 6.9031 6.9031 7.0080 7.0080 k =-0.4223 0.4234 0.5483 ( 12212 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9389 -7.9389 -7.8033 -7.8033 -7.6713 -7.6713 -7.4865 -7.4865 -7.3888 -7.3888 -7.3656 -7.3656 0.3335 0.3335 0.4698 0.4698 0.8116 0.8116 1.0358 1.0358 1.0950 1.0950 1.1394 1.1394 1.9585 1.9585 2.0314 2.0314 2.1881 2.1881 2.2874 2.2874 2.3606 2.3606 2.6285 2.6285 3.0881 3.0881 3.1336 3.1336 3.4842 3.4842 3.5385 3.5385 3.6667 3.6667 3.8719 3.8719 5.5904 5.5904 5.6344 5.6344 5.6721 5.6721 5.7047 5.7047 5.7578 5.7578 6.2091 6.2091 6.9001 6.9001 7.0048 7.0048 k =-0.4334 0.4042 0.5483 ( 12218 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9393 -7.9393 -7.8057 -7.8057 -7.6744 -7.6744 -7.4832 -7.4832 -7.3914 -7.3914 -7.3595 -7.3595 0.3203 0.3203 0.4558 0.4558 0.8200 0.8200 1.0502 1.0502 1.1047 1.1047 1.1523 1.1523 1.9528 1.9528 2.0285 2.0285 2.1767 2.1767 2.2944 2.2944 2.3586 2.3586 2.6323 2.6323 3.0856 3.0856 3.1292 3.1292 3.4801 3.4801 3.5331 3.5331 3.6620 3.6620 3.8669 3.8669 5.5862 5.5862 5.6340 5.6340 5.6742 5.6742 5.7101 5.7101 5.7599 5.7599 6.2099 6.2099 6.8977 6.8977 7.0013 7.0013 k =-0.4445 0.3850 0.5483 ( 12222 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9398 -7.9398 -7.8078 -7.8078 -7.6770 -7.6770 -7.4803 -7.4803 -7.3936 -7.3936 -7.3542 -7.3542 0.3083 0.3083 0.4433 0.4433 0.8281 0.8281 1.0632 1.0632 1.1132 1.1132 1.1642 1.1642 1.9476 1.9476 2.0262 2.0262 2.1658 2.1658 2.3009 2.3009 2.3567 2.3567 2.6357 2.6357 3.0824 3.0824 3.1260 3.1260 3.4750 3.4750 3.5292 3.5292 3.6580 3.6580 3.8624 3.8624 5.5825 5.5825 5.6335 5.6335 5.6758 5.6758 5.7150 5.7150 5.7619 5.7619 6.2107 6.2107 6.8957 6.8957 6.9980 6.9980 k =-0.4556 0.3658 0.5483 ( 12220 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9403 -7.9403 -7.8095 -7.8095 -7.6793 -7.6793 -7.4778 -7.4778 -7.3954 -7.3954 -7.3498 -7.3498 0.2980 0.2980 0.4327 0.4327 0.8354 0.8354 1.0745 1.0745 1.1203 1.1203 1.1746 1.1746 1.9431 1.9431 2.0244 2.0244 2.1558 2.1558 2.3066 2.3066 2.3550 2.3550 2.6386 2.6386 3.0788 3.0788 3.1239 3.1239 3.4695 3.4695 3.5267 3.5267 3.6546 3.6546 3.8584 3.8584 5.5794 5.5794 5.6331 5.6331 5.6771 5.6771 5.7194 5.7194 5.7636 5.7636 6.2113 6.2113 6.8942 6.8942 6.9953 6.9953 k =-0.4667 0.3466 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9407 -7.9407 -7.8108 -7.8108 -7.6810 -7.6810 -7.4758 -7.4758 -7.3968 -7.3968 -7.3463 -7.3463 0.2897 0.2897 0.4243 0.4243 0.8415 0.8415 1.0838 1.0838 1.1259 1.1259 1.1832 1.1832 1.9393 1.9393 2.0232 2.0232 2.1474 2.1474 2.3114 2.3114 2.3536 2.3536 2.6411 2.6411 3.0754 3.0754 3.1225 3.1225 3.4644 3.4644 3.5251 3.5251 3.6519 3.6519 3.8552 3.8552 5.5769 5.5769 5.6327 5.6327 5.6780 5.6780 5.7229 5.7229 5.7650 5.7650 6.2118 6.2118 6.8931 6.8931 6.9930 6.9930 k =-0.4778 0.3274 0.5483 ( 12226 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9410 -7.9410 -7.8118 -7.8118 -7.6823 -7.6823 -7.4743 -7.4743 -7.3978 -7.3978 -7.3438 -7.3438 0.2837 0.2837 0.4181 0.4181 0.8460 0.8460 1.0907 1.0907 1.1299 1.1299 1.1895 1.1895 1.9365 1.9365 2.0224 2.0224 2.1410 2.1410 2.3150 2.3150 2.3524 2.3524 2.6429 2.6429 3.0726 3.0726 3.1217 3.1217 3.4603 3.4603 3.5241 3.5241 3.6499 3.6499 3.8528 3.8528 5.5751 5.5751 5.6324 5.6324 5.6787 5.6787 5.7255 5.7255 5.7660 5.7660 6.2122 6.2122 6.8923 6.8923 6.9914 6.9914 k =-0.4889 0.3082 0.5483 ( 12218 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9412 -7.9412 -7.8124 -7.8124 -7.6831 -7.6831 -7.4734 -7.4734 -7.3984 -7.3984 -7.3422 -7.3422 0.2800 0.2800 0.4143 0.4143 0.8488 0.8488 1.0950 1.0950 1.1322 1.1322 1.1935 1.1935 1.9348 1.9348 2.0220 2.0220 2.1370 2.1370 2.3173 2.3173 2.3516 2.3516 2.6440 2.6440 3.0707 3.0707 3.1213 3.1213 3.4577 3.4577 3.5235 3.5235 3.6488 3.6488 3.8513 3.8513 5.5740 5.5740 5.6322 5.6322 5.6791 5.6791 5.7271 5.7271 5.7666 5.7666 6.2124 6.2124 6.8919 6.8919 6.9904 6.9904 k =-0.5000 0.2890 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9412 -7.9412 -7.8126 -7.8126 -7.6834 -7.6834 -7.4731 -7.4731 -7.3987 -7.3987 -7.3417 -7.3417 0.2787 0.2787 0.4131 0.4131 0.8498 0.8498 1.0965 1.0965 1.1330 1.1330 1.1948 1.1948 1.9342 1.9342 2.0218 2.0218 2.1356 2.1356 2.3181 2.3181 2.3513 2.3513 2.6444 2.6444 3.0701 3.0701 3.1212 3.1212 3.4568 3.4568 3.5234 3.5234 3.6484 3.6484 3.8508 3.8508 5.5736 5.5736 5.6322 5.6322 5.6793 5.6793 5.7277 5.7277 5.7668 5.7668 6.2125 6.2125 6.8917 6.8917 6.9901 6.9901 k =-0.5000 0.2890 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9412 -7.9412 -7.8126 -7.8126 -7.6834 -7.6834 -7.4731 -7.4731 -7.3987 -7.3987 -7.3417 -7.3417 0.2787 0.2787 0.4131 0.4131 0.8498 0.8498 1.0965 1.0965 1.1330 1.1330 1.1948 1.1948 1.9342 1.9342 2.0218 2.0218 2.1356 2.1356 2.3181 2.3181 2.3513 2.3513 2.6444 2.6444 3.0701 3.0701 3.1212 3.1212 3.4568 3.4568 3.5234 3.5234 3.6484 3.6484 3.8508 3.8508 5.5736 5.5736 5.6322 5.6322 5.6793 5.6793 5.7277 5.7277 5.7668 5.7668 6.2125 6.2125 6.8917 6.8917 6.9901 6.9901 k =-0.5000 0.2890 0.5264 ( 12236 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3622 -29.3621 -29.3595 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5376 -28.5375 -28.4856 -28.4855 -7.9431 -7.9430 -7.8129 -7.8129 -7.6818 -7.6817 -7.4730 -7.4729 -7.3983 -7.3983 -7.3415 -7.3415 0.2743 0.2807 0.4099 0.4203 0.8477 0.8521 1.0856 1.0910 1.1196 1.1600 1.1826 1.2123 1.9288 1.9367 2.0022 2.0436 2.1260 2.1431 2.2711 2.3439 2.3570 2.3702 2.6114 2.6806 3.0307 3.0825 3.1101 3.1523 3.4423 3.4597 3.4846 3.5608 3.6305 3.6677 3.8453 3.8609 5.5722 5.5742 5.6237 5.6383 5.6680 5.6856 5.7230 5.7321 5.7643 5.7690 6.2169 6.2191 6.8792 6.8964 6.9875 7.0037 k =-0.5000 0.2890 0.5044 ( 12222 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3622 -29.3621 -29.3595 -29.3593 -28.7923 -28.7923 -28.7836 -28.7835 -28.5382 -28.5381 -28.4849 -28.4848 -7.9484 -7.9482 -7.8139 -7.8139 -7.6771 -7.6768 -7.4726 -7.4726 -7.3971 -7.3971 -7.3409 -7.3408 0.2681 0.2800 0.4110 0.4309 0.8460 0.8546 1.0662 1.0713 1.1244 1.1646 1.1989 1.2335 1.9217 1.9341 1.9878 2.0641 2.1167 2.1467 2.2258 2.3430 2.3644 2.4196 2.5823 2.7195 2.9883 3.0441 3.1423 3.1795 3.4170 3.4400 3.4575 3.5955 3.6140 3.6877 3.8449 3.8745 5.5697 5.5735 5.6121 5.6395 5.6556 5.6863 5.7217 5.7316 5.7662 5.7702 6.2318 6.2358 6.8640 6.8915 6.9959 7.0150 k =-0.5000 0.2890 0.4825 ( 12220 PWs) bands (ev): -52.6331 -52.6331 -52.6261 -52.6261 -29.3623 -29.3621 -29.3595 -29.3593 -28.7925 -28.7924 -28.7834 -28.7834 -28.5393 -28.5390 -28.4839 -28.4837 -7.9566 -7.9564 -7.8156 -7.8156 -7.6697 -7.6694 -7.4720 -7.4719 -7.3952 -7.3952 -7.3398 -7.3397 0.2610 0.2767 0.4160 0.4437 0.8447 0.8575 1.0398 1.0559 1.1304 1.1558 1.2325 1.2578 1.9133 1.9243 1.9811 2.0758 2.1149 2.1453 2.1842 2.3446 2.3727 2.4699 2.5579 2.7602 2.9436 3.0008 3.1709 3.2021 3.3833 3.4012 3.4429 3.5980 3.6269 3.7072 3.8491 3.8902 5.5654 5.5693 5.5975 5.6233 5.6552 5.6835 5.7231 5.7265 5.7725 5.7740 6.2553 6.2605 6.8495 6.8819 6.9993 7.0039 k =-0.5000 0.2890 0.4606 ( 12210 PWs) bands (ev): -52.6332 -52.6332 -52.6260 -52.6260 -29.3624 -29.3621 -29.3595 -29.3592 -28.7927 -28.7926 -28.7832 -28.7832 -28.5406 -28.5403 -28.4826 -28.4823 -7.9672 -7.9670 -7.8179 -7.8179 -7.6604 -7.6600 -7.4711 -7.4710 -7.3926 -7.3926 -7.3383 -7.3382 0.2537 0.2717 0.4240 0.4579 0.8440 0.8608 1.0144 1.0403 1.1352 1.1475 1.2685 1.2847 1.9037 1.9096 1.9803 2.0710 2.1210 2.1384 2.1535 2.3495 2.3814 2.5153 2.5427 2.8015 2.8973 2.9539 3.1922 3.2195 3.3438 3.3650 3.4249 3.5832 3.6543 3.7249 3.8570 3.9067 5.5537 5.5556 5.5864 5.6002 5.6602 5.6810 5.7216 5.7253 5.7774 5.7849 6.2849 6.2910 6.8369 6.8718 6.9847 6.9877 k =-0.5000 0.2890 0.4386 ( 12222 PWs) bands (ev): -52.6333 -52.6333 -52.6259 -52.6259 -29.3626 -29.3622 -29.3594 -29.3591 -28.7929 -28.7929 -28.7830 -28.7829 -28.5423 -28.5419 -28.4809 -28.4806 -7.9796 -7.9793 -7.8207 -7.8207 -7.6499 -7.6493 -7.4697 -7.4696 -7.3894 -7.3894 -7.3364 -7.3363 0.2465 0.2657 0.4337 0.4727 0.8440 0.8646 0.9906 1.0253 1.1390 1.1402 1.3062 1.3137 1.8928 1.8935 1.9821 2.0583 2.1003 2.1267 2.1605 2.3571 2.3902 2.5157 2.5758 2.8362 2.8560 2.9038 3.2000 3.2296 3.3022 3.3386 3.4050 3.5698 3.6773 3.7400 3.8675 3.9230 5.5242 5.5318 5.5819 5.5841 5.6662 5.6805 5.7188 5.7277 5.7849 5.7970 6.3184 6.3251 6.8269 6.8632 6.9643 6.9706 k =-0.5000 0.2890 0.4167 ( 12232 PWs) bands (ev): -52.6335 -52.6335 -52.6257 -52.6257 -29.3627 -29.3624 -29.3594 -29.3590 -28.7932 -28.7931 -28.7827 -28.7827 -28.5440 -28.5437 -28.4791 -28.4788 -7.9932 -7.9929 -7.8240 -7.8240 -7.6387 -7.6381 -7.4678 -7.4677 -7.3856 -7.3856 -7.3341 -7.3340 0.2398 0.2595 0.4442 0.4873 0.8451 0.8691 0.9689 1.0114 1.1338 1.1420 1.3444 1.3453 1.8779 1.8806 1.9849 2.0416 2.0734 2.1113 2.1809 2.3663 2.3990 2.5043 2.6230 2.7972 2.8508 2.8860 3.1879 3.2220 3.2705 3.3274 3.3864 3.5591 3.6955 3.7519 3.8798 3.9388 5.4867 5.4945 5.5768 5.5794 5.6728 5.6825 5.7185 5.7308 5.7940 5.8096 6.3540 6.3611 6.8200 6.8570 6.9441 6.9526 k =-0.5000 0.2890 0.3948 ( 12222 PWs) bands (ev): -52.6336 -52.6336 -52.6256 -52.6256 -29.3629 -29.3625 -29.3593 -29.3589 -28.7935 -28.7934 -28.7824 -28.7824 -28.5459 -28.5456 -28.4771 -28.4767 -8.0075 -8.0072 -7.8277 -7.8277 -7.6276 -7.6270 -7.4653 -7.4652 -7.3814 -7.3814 -7.3313 -7.3312 0.2337 0.2533 0.4544 0.5007 0.8476 0.8744 0.9495 0.9991 1.1283 1.1446 1.3762 1.3856 1.8636 1.8670 1.9877 2.0210 2.0533 2.0938 2.2017 2.3758 2.4072 2.4958 2.6677 2.7478 2.7957 2.9234 3.1596 3.1839 3.2634 3.3235 3.3759 3.5518 3.7088 3.7604 3.8934 3.9537 5.4445 5.4506 5.5728 5.5772 5.6798 5.6865 5.7205 5.7348 5.8040 5.8221 6.3900 6.3973 6.8160 6.8534 6.9248 6.9351 k =-0.5000 0.2890 0.3728 ( 12222 PWs) bands (ev): -52.6338 -52.6338 -52.6254 -52.6254 -29.3630 -29.3626 -29.3592 -29.3589 -28.7938 -28.7937 -28.7821 -28.7821 -28.5480 -28.5476 -28.4750 -28.4746 -8.0222 -8.0219 -7.8317 -7.8317 -7.6170 -7.6163 -7.4621 -7.4620 -7.3768 -7.3767 -7.3281 -7.3280 0.2284 0.2476 0.4638 0.5122 0.8518 0.8805 0.9326 0.9888 1.1238 1.1470 1.4089 1.4270 1.8511 1.8520 1.9898 1.9996 2.0388 2.0759 2.2210 2.3842 2.4140 2.4907 2.6989 2.7059 2.7405 2.9568 3.1247 3.1344 3.2636 3.3122 3.3806 3.5485 3.7172 3.7656 3.9082 3.9678 5.3993 5.4031 5.5698 5.5749 5.6872 5.6921 5.7243 5.7396 5.8143 5.8343 6.4251 6.4323 6.8152 6.8524 6.9073 6.9191 k =-0.5000 0.2890 0.3509 ( 12218 PWs) bands (ev): -52.6340 -52.6340 -52.6252 -52.6252 -29.3632 -29.3628 -29.3592 -29.3588 -28.7941 -28.7940 -28.7818 -28.7818 -28.5500 -28.5496 -28.4728 -28.4724 -8.0369 -8.0366 -7.8360 -7.8360 -7.6072 -7.6066 -7.4582 -7.4581 -7.3718 -7.3718 -7.3245 -7.3243 0.2239 0.2425 0.4716 0.5210 0.8580 0.8872 0.9188 0.9810 1.1203 1.1494 1.4418 1.4691 1.8356 1.8405 1.9806 1.9900 2.0273 2.0602 2.2380 2.3904 2.4179 2.4888 2.6526 2.6779 2.7426 2.9836 3.0824 3.0899 3.2647 3.2950 3.3953 3.5495 3.7213 3.7677 3.9239 3.9812 5.3519 5.3535 5.5672 5.5724 5.6950 5.6992 5.7295 5.7452 5.8246 5.8460 6.4577 6.4648 6.8173 6.8537 6.8925 6.9059 k =-0.5000 0.2890 0.3290 ( 12212 PWs) bands (ev): -52.6342 -52.6342 -52.6251 -52.6251 -29.3633 -29.3629 -29.3591 -29.3587 -28.7944 -28.7944 -28.7815 -28.7814 -28.5520 -28.5516 -28.4706 -28.4703 -8.0516 -8.0512 -7.8405 -7.8404 -7.5986 -7.5980 -7.4536 -7.4534 -7.3667 -7.3667 -7.3204 -7.3202 0.2201 0.2380 0.4773 0.5265 0.8661 0.8942 0.9084 0.9766 1.1180 1.1522 1.4746 1.5117 1.8184 1.8319 1.9651 1.9860 2.0179 2.0498 2.2521 2.3934 2.4160 2.4897 2.6121 2.6199 2.7634 2.9993 3.0327 3.0596 3.2666 3.2774 3.4135 3.5544 3.7223 3.7676 3.9404 3.9941 5.3025 5.3032 5.5647 5.5697 5.7031 5.7071 5.7356 5.7512 5.8346 5.8568 6.4865 6.4930 6.8220 6.8565 6.8819 6.8972 k =-0.5000 0.2890 0.3071 ( 12232 PWs) bands (ev): -52.6343 -52.6343 -52.6249 -52.6249 -29.3635 -29.3631 -29.3591 -29.3587 -28.7948 -28.7947 -28.7812 -28.7811 -28.5541 -28.5537 -28.4685 -28.4681 -8.0658 -8.0655 -7.8450 -7.8450 -7.5913 -7.5906 -7.4483 -7.4482 -7.3615 -7.3614 -7.3159 -7.3157 0.2171 0.2341 0.4807 0.5283 0.8755 0.9008 0.9024 0.9762 1.1170 1.1555 1.5067 1.5543 1.8011 1.8253 1.9534 1.9766 2.0104 2.0471 2.2626 2.3925 2.4043 2.4928 2.5622 2.5821 2.7704 2.9701 3.0188 3.0366 3.2619 3.2699 3.4330 3.5622 3.7222 3.7662 3.9573 4.0066 5.2506 5.2535 5.5623 5.5668 5.7114 5.7158 5.7422 5.7573 5.8441 5.8668 6.5099 6.5154 6.8292 6.8601 6.8767 6.8948 k =-0.5000 0.2890 0.2851 ( 12216 PWs) bands (ev): -52.6345 -52.6345 -52.6247 -52.6247 -29.3636 -29.3632 -29.3590 -29.3586 -28.7951 -28.7950 -28.7809 -28.7808 -28.5560 -28.5556 -28.4664 -28.4660 -8.0796 -8.0793 -7.8495 -7.8495 -7.5852 -7.5846 -7.4425 -7.4424 -7.3562 -7.3562 -7.3110 -7.3108 0.2148 0.2309 0.4816 0.5265 0.8826 0.9039 0.9063 0.9803 1.1173 1.1595 1.5376 1.5964 1.7843 1.8205 1.9450 1.9638 2.0047 2.0509 2.2687 2.3809 2.3862 2.4971 2.5077 2.5653 2.7617 2.9189 3.0187 3.0212 3.2500 3.2742 3.4524 3.5708 3.7244 3.7651 3.9744 4.0188 5.1981 5.2033 5.5599 5.5639 5.7199 5.7248 5.7492 5.7633 5.8531 5.8757 6.5265 6.5305 6.8391 6.8650 6.8779 6.8991 k =-0.5000 0.2890 0.2632 ( 12212 PWs) bands (ev): -52.6347 -52.6347 -52.6245 -52.6245 -29.3637 -29.3634 -29.3589 -29.3586 -28.7954 -28.7953 -28.7806 -28.7805 -28.5579 -28.5575 -28.4643 -28.4640 -8.0927 -8.0924 -7.8540 -7.8540 -7.5804 -7.5799 -7.4365 -7.4365 -7.3510 -7.3509 -7.3058 -7.3056 0.2132 0.2283 0.4803 0.5215 0.8847 0.9107 0.9153 0.9887 1.1192 1.1644 1.5666 1.6372 1.7688 1.8169 1.9399 1.9509 2.0013 2.0591 2.2679 2.3505 2.3700 2.4616 2.5020 2.5595 2.7400 2.8675 3.0102 3.0122 3.2423 3.2784 3.4710 3.5766 3.7328 3.7662 3.9914 4.0308 5.1452 5.1527 5.5574 5.5609 5.7282 5.7339 5.7561 5.7690 5.8614 5.8835 6.5356 6.5378 6.8522 6.8733 6.8850 6.9082 k =-0.5000 0.2890 0.2413 ( 12196 PWs) bands (ev): -52.6348 -52.6348 -52.6244 -52.6244 -29.3639 -29.3635 -29.3588 -29.3585 -28.7956 -28.7956 -28.7803 -28.7802 -28.5596 -28.5593 -28.4623 -28.4620 -8.1051 -8.1048 -7.8584 -7.8583 -7.5767 -7.5762 -7.4305 -7.4304 -7.3459 -7.3458 -7.3002 -7.3000 0.2121 0.2261 0.4768 0.5138 0.8857 0.9141 0.9316 1.0005 1.1227 1.1702 1.5934 1.6753 1.7552 1.8138 1.9381 1.9402 2.0005 2.0705 2.2541 2.3240 2.3377 2.4312 2.5068 2.5599 2.7095 2.8178 2.9992 3.0000 3.2385 3.2816 3.4874 3.5767 3.7508 3.7718 4.0081 4.0426 5.0922 5.1021 5.5551 5.5580 5.7364 5.7429 5.7629 5.7742 5.8691 5.8903 6.5375 6.5378 6.8688 6.8858 6.8965 6.9205 k =-0.5000 0.2890 0.2193 ( 12198 PWs) bands (ev): -52.6350 -52.6350 -52.6242 -52.6242 -29.3640 -29.3637 -29.3588 -29.3585 -28.7959 -28.7959 -28.7800 -28.7800 -28.5613 -28.5610 -28.4605 -28.4602 -8.1166 -8.1164 -7.8625 -7.8625 -7.5738 -7.5734 -7.4247 -7.4246 -7.3410 -7.3410 -7.2944 -7.2942 0.2115 0.2244 0.4716 0.5043 0.8876 0.9172 0.9499 1.0144 1.1280 1.1770 1.6175 1.7091 1.7440 1.8103 1.9336 1.9397 2.0029 2.0840 2.2238 2.2928 2.3092 2.4140 2.5114 2.5627 2.6742 2.7705 2.9834 2.9857 3.2375 3.2829 3.5004 3.5709 3.7786 3.7839 4.0242 4.0540 5.0394 5.0516 5.5527 5.5551 5.7442 5.7515 5.7693 5.7789 5.8761 5.8961 6.5320 6.5335 6.8883 6.9023 6.9112 6.9345 k =-0.5000 0.2890 0.1974 ( 12202 PWs) bands (ev): -52.6351 -52.6351 -52.6241 -52.6241 -29.3641 -29.3638 -29.3587 -29.3584 -28.7962 -28.7961 -28.7798 -28.7797 -28.5629 -28.5626 -28.4588 -28.4585 -8.1273 -8.1271 -7.8665 -7.8664 -7.5717 -7.5713 -7.4192 -7.4192 -7.3364 -7.3363 -7.2885 -7.2884 0.2113 0.2231 0.4652 0.4935 0.8906 0.9202 0.9690 1.0292 1.1349 1.1846 1.6387 1.7314 1.7410 1.8056 1.9322 1.9450 2.0090 2.0982 2.1853 2.2446 2.3006 2.4021 2.5158 2.5651 2.6370 2.7271 2.9635 2.9689 3.2378 3.2821 3.5093 3.5613 3.8038 3.8138 4.0396 4.0650 4.9870 5.0015 5.5505 5.5523 5.7514 5.7596 5.7753 5.7829 5.8824 5.9009 6.5223 6.5252 6.9093 6.9212 6.9279 6.9496 k =-0.5000 0.2890 0.1755 ( 12220 PWs) bands (ev): -52.6353 -52.6353 -52.6239 -52.6239 -29.3642 -29.3640 -29.3587 -29.3584 -28.7964 -28.7964 -28.7795 -28.7795 -28.5643 -28.5640 -28.4573 -28.4570 -8.1370 -8.1368 -7.8701 -7.8701 -7.5702 -7.5699 -7.4142 -7.4142 -7.3321 -7.3320 -7.2827 -7.2826 0.2115 0.2221 0.4581 0.4823 0.8945 0.9231 0.9882 1.0439 1.1436 1.1929 1.6570 1.7278 1.7590 1.7999 1.9359 1.9532 2.0194 2.1094 2.1468 2.2009 2.2928 2.3915 2.5198 2.5642 2.5999 2.6896 2.9413 2.9493 3.2379 3.2792 3.5142 3.5502 3.8312 3.8537 4.0541 4.0754 4.9354 4.9520 5.5483 5.5497 5.7581 5.7669 5.7807 5.7862 5.8880 5.9048 6.5105 6.5143 6.9301 6.9410 6.9461 6.9650 k =-0.5000 0.2890 0.1535 ( 12208 PWs) bands (ev): -52.6354 -52.6354 -52.6238 -52.6238 -29.3643 -29.3641 -29.3586 -29.3584 -28.7966 -28.7966 -28.7793 -28.7793 -28.5656 -28.5653 -28.4559 -28.4556 -8.1456 -8.1455 -7.8734 -7.8734 -7.5691 -7.5688 -7.4098 -7.4098 -7.3281 -7.3281 -7.2771 -7.2770 0.2119 0.2213 0.4507 0.4711 0.8991 0.9258 1.0069 1.0576 1.1537 1.2014 1.6725 1.7249 1.7712 1.7938 1.9440 1.9618 2.0334 2.1051 2.1145 2.1753 2.2839 2.3809 2.5222 2.5564 2.5662 2.6619 2.9173 2.9274 3.2373 3.2743 3.5161 3.5394 3.8647 3.8959 4.0676 4.0851 4.8851 4.9036 5.5463 5.5473 5.7640 5.7734 5.7856 5.7891 5.8930 5.9079 6.4979 6.5022 6.9492 6.9602 6.9654 6.9807 k =-0.5000 0.2890 0.1316 ( 12196 PWs) bands (ev): -52.6355 -52.6355 -52.6237 -52.6237 -29.3644 -29.3642 -29.3586 -29.3584 -28.7968 -28.7968 -28.7791 -28.7791 -28.5667 -28.5665 -28.4546 -28.4544 -8.1532 -8.1531 -7.8764 -7.8763 -7.5684 -7.5682 -7.4060 -7.4060 -7.3247 -7.3246 -7.2718 -7.2717 0.2125 0.2207 0.4435 0.4604 0.9040 0.9283 1.0247 1.0698 1.1650 1.2097 1.6852 1.7250 1.7765 1.7886 1.9542 1.9658 2.0450 2.0772 2.0991 2.1768 2.2736 2.3697 2.5128 2.5392 2.5477 2.6467 2.8922 2.9041 3.2357 3.2678 3.5161 3.5301 3.9023 3.9383 4.0799 4.0939 4.8367 4.8566 5.5445 5.5452 5.7693 5.7788 5.7898 5.7915 5.8974 5.9103 6.4856 6.4899 6.9662 6.9773 6.9847 6.9962 k =-0.5000 0.2890 0.1097 ( 12198 PWs) bands (ev): -52.6356 -52.6356 -52.6236 -52.6236 -29.3644 -29.3643 -29.3585 -29.3584 -28.7969 -28.7969 -28.7790 -28.7789 -28.5676 -28.5674 -28.4535 -28.4534 -8.1597 -8.1596 -7.8789 -7.8789 -7.5679 -7.5677 -7.4028 -7.4028 -7.3216 -7.3216 -7.2671 -7.2670 0.2132 0.2201 0.4370 0.4506 0.9090 0.9303 1.0412 1.0801 1.1769 1.2173 1.6952 1.7279 1.7763 1.7855 1.9593 1.9622 2.0463 2.0485 2.1104 2.1874 2.2622 2.3575 2.4870 2.5152 2.5508 2.6416 2.8667 2.8802 3.2334 3.2603 3.5154 3.5227 3.9418 3.9788 4.0912 4.1019 4.7914 4.8119 5.5428 5.5433 5.7738 5.7830 5.7934 5.7937 5.9012 5.9120 6.4742 6.4783 6.9811 6.9915 7.0028 7.0111 k =-0.5000 0.2890 0.0877 ( 12214 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7971 -28.7971 -28.7788 -28.7788 -28.5684 -28.5683 -28.4527 -28.4525 -8.1650 -8.1649 -7.8810 -7.8810 -7.5676 -7.5674 -7.4002 -7.4002 -7.3191 -7.3191 -7.2630 -7.2629 0.2140 0.2196 0.4314 0.4420 0.9139 0.9316 1.0561 1.0882 1.1889 1.2235 1.7029 1.7334 1.7726 1.7851 1.9429 1.9578 2.0307 2.0544 2.1352 2.1972 2.2503 2.3436 2.4614 2.4898 2.5613 2.6415 2.8417 2.8565 3.2308 3.2524 3.5143 3.5175 3.9806 4.0151 4.1015 4.1089 4.7504 4.7703 5.5415 5.5418 5.7776 5.7858 5.7958 5.7963 5.9045 5.9131 6.4645 6.4680 6.9937 7.0028 7.0186 7.0246 k =-0.5000 0.2890 0.0658 ( 12206 PWs) bands (ev): -52.6357 -52.6357 -52.6235 -52.6235 -29.3645 -29.3644 -29.3585 -29.3584 -28.7972 -28.7972 -28.7787 -28.7787 -28.5690 -28.5689 -28.4520 -28.4519 -8.1692 -8.1691 -7.8827 -7.8827 -7.5674 -7.5673 -7.3982 -7.3982 -7.3171 -7.3171 -7.2597 -7.2597 0.2148 0.2190 0.4270 0.4348 0.9185 0.9322 1.0691 1.0938 1.2002 1.2277 1.7091 1.7395 1.7682 1.7868 1.9235 1.9375 2.0358 2.0639 2.1619 2.2033 2.2401 2.3275 2.4412 2.4665 2.5755 2.6426 2.8190 2.8342 3.2287 3.2448 3.5133 3.5141 4.0161 4.0447 4.1112 4.1150 4.7156 4.7334 5.5404 5.5405 5.7808 5.7873 5.7978 5.7986 5.9072 5.9137 6.4566 6.4595 7.0041 7.0113 7.0316 7.0358 k =-0.5000 0.2890 0.0439 ( 12202 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3646 -29.3645 -29.3584 -29.3584 -28.7972 -28.7972 -28.7786 -28.7786 -28.5695 -28.5694 -28.4514 -28.4514 -8.1722 -8.1722 -7.8839 -7.8839 -7.5673 -7.5672 -7.3968 -7.3968 -7.3157 -7.3157 -7.2573 -7.2572 0.2156 0.2185 0.4241 0.4292 0.9226 0.9320 1.0800 1.0967 1.2104 1.2295 1.7149 1.7413 1.7687 1.7891 1.9060 1.9143 2.0495 2.0729 2.1840 2.2048 2.2362 2.3087 2.4284 2.4473 2.5921 2.6419 2.8011 2.8145 3.2274 3.2382 3.5122 3.5124 4.0455 4.0650 4.1200 4.1205 4.6893 4.7030 5.5396 5.5397 5.7833 5.7878 5.7995 5.8002 5.9095 5.9138 6.4510 6.4530 7.0120 7.0169 7.0413 7.0440 k =-0.5000 0.2890 0.0219 ( 12176 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3583 -28.7972 -28.7972 -28.7786 -28.7786 -28.5697 -28.5696 -28.4511 -28.4511 -8.1740 -8.1740 -7.8846 -7.8846 -7.5672 -7.5672 -7.3960 -7.3960 -7.3148 -7.3148 -7.2558 -7.2558 0.2164 0.2179 0.4228 0.4253 0.9261 0.9308 1.0883 1.0968 1.2188 1.2286 1.7213 1.7362 1.7763 1.7893 1.8939 1.8970 2.0636 2.0771 2.1950 2.2027 2.2460 2.2877 2.4231 2.4332 2.6096 2.6366 2.7910 2.7992 3.2275 3.2329 3.5114 3.5117 4.0657 4.0751 4.1253 4.1263 4.6741 4.6816 5.5391 5.5391 5.7853 5.7876 5.8007 5.8010 5.9112 5.9134 6.4478 6.4488 7.0174 7.0198 7.0475 7.0488 k =-0.5000 0.2890 0.0000 ( 12186 PWs) bands (ev): -52.6358 -52.6358 -52.6234 -52.6234 -29.3645 -29.3645 -29.3584 -29.3584 -28.7973 -28.7973 -28.7786 -28.7786 -28.5698 -28.5698 -28.4510 -28.4510 -8.1746 -8.1746 -7.8849 -7.8849 -7.5672 -7.5672 -7.3957 -7.3957 -7.3145 -7.3145 -7.2553 -7.2553 0.2172 0.2172 0.4231 0.4231 0.9289 0.9289 1.0940 1.0940 1.2250 1.2250 1.7286 1.7286 1.7848 1.7848 1.8900 1.8900 2.0739 2.0739 2.1991 2.1991 2.2658 2.2658 2.4249 2.4249 2.6254 2.6254 2.7906 2.7906 3.2293 3.2293 3.5113 3.5113 4.0755 4.0755 4.1280 4.1280 4.6715 4.6715 5.5389 5.5389 5.7867 5.7867 5.8012 5.8012 5.9125 5.9125 6.4471 6.4471 7.0200 7.0200 7.0500 7.0500 k = 0.0000 0.0000 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1310 -8.1310 -7.8492 -7.8492 -7.6523 -7.6523 -7.4135 -7.4135 -7.3143 -7.3143 -7.2277 -7.2277 0.4751 0.4751 0.6817 0.6817 0.7086 0.7086 0.8689 0.8689 1.1410 1.1410 1.2420 1.2420 1.5141 1.5141 1.7477 1.7477 2.2373 2.2373 2.3037 2.3037 2.4389 2.4389 2.4822 2.4822 2.6410 2.6410 2.7141 2.7141 3.5196 3.5196 3.7236 3.7236 3.8794 3.8794 4.1323 4.1323 5.4957 5.4957 5.7049 5.7049 5.7652 5.7652 5.7863 5.7863 5.8251 5.8251 5.9871 5.9871 7.2728 7.2728 7.2990 7.2990 k =-0.0192 0.0111 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1306 -8.1306 -7.8487 -7.8487 -7.6527 -7.6526 -7.4138 -7.4137 -7.3145 -7.3145 -7.2281 -7.2281 0.4661 0.4803 0.6675 0.6961 0.7006 0.7103 0.8585 0.8839 1.1394 1.1481 1.2380 1.2506 1.5113 1.5160 1.7459 1.7475 2.2361 2.2390 2.3012 2.3067 2.4370 2.4407 2.4791 2.4881 2.6364 2.6480 2.7140 2.7175 3.5173 3.5210 3.7218 3.7226 3.8764 3.8795 4.1303 4.1314 5.4953 5.4967 5.7043 5.7060 5.7640 5.7659 5.7856 5.7864 5.8238 5.8245 5.9888 5.9889 7.2692 7.2749 7.2939 7.3001 k =-0.0385 0.0222 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1293 -8.1293 -7.8474 -7.8474 -7.6538 -7.6537 -7.4143 -7.4143 -7.3151 -7.3151 -7.2292 -7.2292 0.4544 0.4810 0.6539 0.6895 0.7024 0.7114 0.8542 0.9009 1.1434 1.1602 1.2390 1.2637 1.5076 1.5173 1.7421 1.7453 2.2352 2.2412 2.2990 2.3103 2.4354 2.4418 2.4795 2.4963 2.6342 2.6572 2.7174 2.7242 3.5139 3.5214 3.7171 3.7189 3.8706 3.8768 4.1255 4.1278 5.4955 5.4984 5.7043 5.7076 5.7621 5.7660 5.7841 5.7860 5.8210 5.8222 5.9936 5.9939 7.2641 7.2757 7.2850 7.2974 k =-0.0577 0.0334 0.5483 ( 12258 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1271 -8.1270 -7.8452 -7.8452 -7.6555 -7.6554 -7.4153 -7.4153 -7.3160 -7.3160 -7.2311 -7.2311 0.4409 0.4769 0.6398 0.6790 0.6891 0.7235 0.8551 0.9174 1.1534 1.1772 1.2451 1.2811 1.5031 1.5179 1.7363 1.7412 2.2348 2.2435 2.2973 2.3143 2.4341 2.4416 2.4838 2.5069 2.6344 2.6682 2.7247 2.7343 3.5096 3.5207 3.7095 3.7127 3.8621 3.8713 4.1180 4.1218 5.4964 5.5006 5.7049 5.7096 5.7598 5.7654 5.7817 5.7853 5.8174 5.8184 6.0011 6.0018 7.2573 7.2715 7.2759 7.2914 k =-0.0769 0.0445 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1240 -8.1239 -7.8422 -7.8422 -7.6580 -7.6579 -7.4167 -7.4166 -7.3173 -7.3172 -7.2337 -7.2336 0.4264 0.4685 0.6237 0.6709 0.6719 0.7338 0.8587 0.9318 1.1692 1.1984 1.2566 1.3026 1.4976 1.5179 1.7287 1.7353 2.2346 2.2459 2.2958 2.3185 2.4328 2.4400 2.4919 2.5195 2.6369 2.6806 2.7364 2.7480 3.5044 3.5189 3.6989 3.7042 3.8511 3.8633 4.1079 4.1135 5.4979 5.5033 5.7060 5.7115 5.7570 5.7641 5.7783 5.7844 5.8135 5.8136 6.0109 6.0119 7.2485 7.2557 7.2739 7.2826 k =-0.0962 0.0556 0.5483 ( 12268 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7923 -28.7923 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1201 -8.1200 -7.8383 -7.8383 -7.6612 -7.6610 -7.4184 -7.4183 -7.3189 -7.3188 -7.2370 -7.2369 0.4117 0.4569 0.6056 0.6503 0.6685 0.7413 0.8634 0.9432 1.1907 1.2234 1.2734 1.3277 1.4910 1.5176 1.7192 1.7278 2.2347 2.2479 2.2948 2.3228 2.4315 2.4375 2.5028 2.5339 2.6421 2.6941 2.7527 2.7652 3.4985 3.5161 3.6855 3.6936 3.8381 3.8528 4.0954 4.1034 5.5001 5.5065 5.7074 5.7132 5.7538 5.7620 5.7737 5.7835 5.8080 5.8100 6.0223 6.0237 7.2365 7.2375 7.2710 7.2719 k =-0.1154 0.0667 0.5483 ( 12252 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1153 -8.1152 -7.8336 -7.8336 -7.6650 -7.6648 -7.4205 -7.4204 -7.3208 -7.3207 -7.2410 -7.2409 0.3970 0.4433 0.5866 0.6290 0.6675 0.7461 0.8681 0.9515 1.2172 1.2511 1.2951 1.3559 1.4834 1.5172 1.7083 1.7189 2.2351 2.2491 2.2943 2.3268 2.4300 2.4344 2.5155 2.5493 2.6504 2.7091 2.7733 2.7858 3.4919 3.5121 3.6693 3.6812 3.8232 3.8403 4.0809 4.0919 5.5030 5.5102 5.7090 5.7142 5.7503 5.7590 5.7685 5.7828 5.8022 5.8070 6.0348 6.0367 7.2147 7.2237 7.2601 7.2670 k =-0.1346 0.0778 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1097 -8.1096 -7.8281 -7.8281 -7.6694 -7.6693 -7.4229 -7.4228 -7.3230 -7.3228 -7.2457 -7.2456 0.3829 0.4287 0.5675 0.6079 0.6679 0.7483 0.8723 0.9571 1.2483 1.2800 1.3213 1.3863 1.4746 1.5169 1.6962 1.7092 2.2356 2.2491 2.2945 2.3304 2.4282 2.4311 2.5291 2.5645 2.6628 2.7261 2.7977 2.8097 3.4849 3.5070 3.6506 3.6674 3.8070 3.8259 4.0646 4.0792 5.5065 5.5143 5.7104 5.7140 5.7466 5.7548 5.7631 5.7824 5.7965 5.8046 6.0481 6.0505 7.1908 7.2070 7.2478 7.2619 k =-0.1538 0.0889 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.1033 -8.1032 -7.8218 -7.8218 -7.6746 -7.6743 -7.4256 -7.4255 -7.3254 -7.3253 -7.2510 -7.2509 0.3696 0.4139 0.5489 0.5875 0.6690 0.7487 0.8760 0.9607 1.2829 1.3084 1.3512 1.4176 1.4646 1.5174 1.6839 1.6994 2.2362 2.2477 2.2956 2.3333 2.4260 2.4277 2.5428 2.5783 2.6802 2.7458 2.8249 2.8366 3.4775 3.5006 3.6299 3.6527 3.7899 3.8100 4.0468 4.0659 5.5106 5.5188 5.7113 5.7123 5.7427 5.7492 5.7584 5.7824 5.7913 5.8027 6.0618 6.0648 7.1653 7.1876 7.2353 7.2557 k =-0.1731 0.1001 0.5483 ( 12264 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0962 -8.0961 -7.8149 -7.8148 -7.6803 -7.6801 -7.4285 -7.4284 -7.3282 -7.3280 -7.2569 -7.2568 0.3572 0.3995 0.5313 0.5682 0.6706 0.7479 0.8794 0.9630 1.3202 1.3339 1.3841 1.4469 1.4547 1.5188 1.6726 1.6908 2.2370 2.2448 2.2972 2.3356 2.4234 2.4241 2.5557 2.5897 2.7029 2.7685 2.8541 2.8660 3.4700 3.4929 3.6076 3.6377 3.7723 3.7929 4.0279 4.0522 5.5153 5.5238 5.7089 5.7113 5.7384 5.7424 5.7543 5.7814 5.7881 5.8011 6.0757 6.0792 7.1387 7.1663 7.2227 7.2485 k =-0.1923 0.1112 0.5483 ( 12246 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0884 -8.0882 -7.8073 -7.8072 -7.6866 -7.6864 -7.4317 -7.4316 -7.3311 -7.3309 -7.2634 -7.2632 0.3459 0.3858 0.5149 0.5502 0.6728 0.7465 0.8828 0.9647 1.3538 1.3588 1.4191 1.4408 1.4761 1.5208 1.6651 1.6855 2.2378 2.2406 2.2993 2.3372 2.4202 2.4205 2.5675 2.5989 2.7303 2.7942 2.8844 2.8974 3.4627 3.4835 3.5846 3.6232 3.7546 3.7748 4.0081 4.0385 5.5207 5.5291 5.7039 5.7101 5.7337 5.7352 5.7507 5.7777 5.7886 5.8000 6.0895 6.0935 7.1115 7.1434 7.2096 7.2400 k =-0.2115 0.1223 0.5483 ( 12226 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0799 -8.0797 -7.7991 -7.7990 -7.6935 -7.6932 -7.4350 -7.4349 -7.3343 -7.3340 -7.2703 -7.2701 0.3357 0.3728 0.4997 0.5334 0.6756 0.7452 0.8865 0.9664 1.3662 1.3937 1.4321 1.4544 1.4967 1.5224 1.6649 1.6868 2.2352 2.2386 2.3014 2.3380 2.4166 2.4168 2.5779 2.6063 2.7614 2.8225 2.9150 2.9301 3.4558 3.4722 3.5620 3.6099 3.7374 3.7559 3.9877 4.0249 5.5266 5.5348 5.6975 5.7074 5.7278 5.7285 5.7474 5.7731 5.7907 5.7991 6.1031 6.1075 7.0842 7.1198 7.1961 7.2180 k =-0.2308 0.1334 0.5483 ( 12238 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0707 -8.0706 -7.7903 -7.7902 -7.7009 -7.7007 -7.4385 -7.4384 -7.3378 -7.3374 -7.2776 -7.2773 0.3265 0.3609 0.4859 0.5180 0.6792 0.7446 0.8908 0.9685 1.3709 1.3994 1.4499 1.4818 1.5088 1.5275 1.6754 1.6977 2.2288 2.2394 2.3034 2.3381 2.4124 2.4132 2.5870 2.6125 2.7950 2.8527 2.9448 2.9636 3.4498 3.4587 3.5408 3.5987 3.7210 3.7366 3.9669 4.0116 5.5331 5.5409 5.6899 5.7030 5.7205 5.7229 5.7446 5.7685 5.7932 5.7983 6.1163 6.1211 7.0572 7.0959 7.1817 7.1876 k =-0.2500 0.1445 0.5483 ( 12254 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0610 -8.0608 -7.7811 -7.7810 -7.7088 -7.7086 -7.4421 -7.4420 -7.3414 -7.3410 -7.2852 -7.2848 0.3184 0.3498 0.4734 0.5039 0.6840 0.7450 0.8961 0.9717 1.3689 1.3842 1.4774 1.4823 1.5198 1.5532 1.6966 1.7182 2.2215 2.2402 2.3051 2.3375 2.4077 2.4095 2.5950 2.6178 2.8299 2.8839 2.9730 2.9971 3.4426 3.4449 3.5223 3.5905 3.7058 3.7170 3.9458 3.9987 5.5402 5.5472 5.6813 5.6970 5.7136 5.7169 5.7420 5.7643 5.7956 5.7976 6.1290 6.1341 7.0311 7.0723 7.1579 7.1656 k =-0.2692 0.1556 0.5483 ( 12252 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -8.0508 -8.0506 -7.7715 -7.7714 -7.7173 -7.7170 -7.4457 -7.4457 -7.3454 -7.3448 -7.2929 -7.2925 0.3112 0.3397 0.4622 0.4910 0.6901 0.7468 0.9026 0.9761 1.3616 1.3648 1.4653 1.4798 1.5497 1.5912 1.7255 1.7457 2.2133 2.2407 2.3065 2.3362 2.4024 2.4058 2.6019 2.6225 2.8652 2.9150 2.9987 3.0298 3.4246 3.4414 3.5073 3.5862 3.6922 3.6973 3.9247 3.9863 5.5479 5.5536 5.6718 5.6895 5.7072 5.7106 5.7396 5.7604 5.7968 5.7975 6.1411 6.1464 7.0062 7.0493 7.1297 7.1462 k =-0.2885 0.1668 0.5483 ( 12256 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4858 -28.4858 -8.0401 -8.0399 -7.7617 -7.7616 -7.7261 -7.7259 -7.4493 -7.4493 -7.3496 -7.3490 -7.3005 -7.3000 0.3049 0.3306 0.4524 0.4792 0.6978 0.7505 0.9107 0.9820 1.3431 1.3501 1.4414 1.4663 1.5900 1.6319 1.7590 1.7770 2.2043 2.2411 2.3075 2.3344 2.3966 2.4021 2.6079 2.6267 2.8997 2.9448 3.0213 3.0607 3.4057 3.4398 3.4958 3.5861 3.6779 3.6802 3.9038 3.9744 5.5560 5.5601 5.6616 5.6813 5.7011 5.7041 5.7373 5.7569 5.7957 5.7987 6.1523 6.1578 6.9830 7.0274 7.1034 7.1241 k =-0.3077 0.1779 0.5483 ( 12246 PWs) bands (ev): -52.6330 -52.6330 -52.6263 -52.6263 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5374 -28.5374 -28.4858 -28.4858 -8.0291 -8.0289 -7.7517 -7.7516 -7.7353 -7.7351 -7.4529 -7.4528 -7.3542 -7.3535 -7.3079 -7.3073 0.2995 0.3222 0.4438 0.4686 0.7071 0.7560 0.9204 0.9897 1.3196 1.3353 1.4141 1.4469 1.6320 1.6731 1.7947 1.8094 2.1943 2.2409 2.3081 2.3321 2.3903 2.3983 2.6133 2.6305 2.9326 2.9724 3.0405 3.0888 3.3877 3.4405 3.4877 3.5901 3.6591 3.6700 3.8833 3.9630 5.5646 5.5663 5.6510 5.6727 5.6955 5.6974 5.7350 5.7538 5.7942 5.7991 6.1627 6.1683 6.9618 7.0068 7.0793 7.1024 k =-0.3269 0.1890 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -8.0178 -8.0177 -7.7449 -7.7447 -7.7416 -7.7415 -7.4563 -7.4562 -7.3592 -7.3584 -7.3148 -7.3142 0.2947 0.3147 0.4363 0.4590 0.7183 0.7636 0.9320 0.9992 1.2946 1.3178 1.3846 1.4244 1.6738 1.7136 1.8311 1.8415 2.1835 2.2401 2.3085 2.3294 2.3837 2.3944 2.6182 2.6339 2.9630 2.9967 3.0562 3.1128 3.3726 3.4438 3.4829 3.5964 3.6423 3.6615 3.8637 3.9521 5.5720 5.5736 5.6401 5.6644 5.6905 5.6909 5.7327 5.7512 5.7921 5.7984 6.1722 6.1777 6.9429 6.9878 7.0578 7.0822 k =-0.3462 0.2001 0.5483 ( 12206 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -8.0064 -8.0063 -7.7546 -7.7544 -7.7318 -7.7317 -7.4595 -7.4594 -7.3646 -7.3638 -7.3210 -7.3203 0.2906 0.3079 0.4300 0.4504 0.7313 0.7731 0.9455 1.0106 1.2685 1.2979 1.3541 1.4000 1.7146 1.7529 1.8673 1.8721 2.1718 2.2381 2.3087 2.3266 2.3769 2.3903 2.6225 2.6369 2.9901 3.0171 3.0689 3.1315 3.3622 3.4500 3.4813 3.5984 3.6332 3.6549 3.8454 3.9416 5.5766 5.5829 5.6293 5.6567 5.6845 5.6863 5.7304 5.7490 5.7894 5.7966 6.1806 6.1860 6.9265 6.9706 7.0390 7.0642 k =-0.3654 0.2112 0.5483 ( 12210 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9951 -7.9949 -7.7645 -7.7642 -7.7222 -7.7221 -7.4624 -7.4624 -7.3703 -7.3696 -7.3263 -7.3257 0.2871 0.3018 0.4247 0.4427 0.7460 0.7845 0.9609 1.0238 1.2418 1.2760 1.3233 1.3743 1.7539 1.7903 1.9004 1.9026 2.1592 2.2345 2.3089 2.3240 2.3701 2.3861 2.6265 2.6396 3.0132 3.0333 3.0792 3.1436 3.3581 3.4589 3.4828 3.5878 3.6385 3.6498 3.8292 3.9314 5.5796 5.5922 5.6189 5.6503 5.6785 5.6834 5.7280 5.7471 5.7862 5.7937 6.1881 6.1931 6.9129 6.9552 7.0232 7.0483 k =-0.3846 0.2223 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9839 -7.9837 -7.7743 -7.7741 -7.7132 -7.7131 -7.4651 -7.4651 -7.3763 -7.3756 -7.3308 -7.3302 0.2842 0.2965 0.4203 0.4360 0.7621 0.7974 0.9781 1.0388 1.2152 1.2527 1.2926 1.3479 1.7913 1.8252 1.9259 1.9363 2.1459 2.2286 2.3092 2.3220 2.3635 2.3815 2.6301 2.6418 3.0320 3.0454 3.0876 3.1491 3.3609 3.4700 3.4869 3.5711 3.6461 3.6495 3.8165 3.9213 5.5808 5.6008 5.6097 5.6452 5.6733 5.6820 5.7256 5.7454 5.7825 5.7898 6.1944 6.1990 6.9021 6.9417 7.0104 7.0347 k =-0.4038 0.2335 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9731 -7.9730 -7.7838 -7.7836 -7.7049 -7.7048 -7.4675 -7.4674 -7.3821 -7.3815 -7.3344 -7.3339 0.2818 0.2918 0.4169 0.4301 0.7793 0.8111 0.9971 1.0551 1.1894 1.2288 1.2627 1.3210 1.8264 1.8568 1.9482 1.9680 2.1322 2.2199 2.3097 2.3209 2.3575 2.3767 2.6334 2.6435 3.0465 3.0540 3.0946 3.1491 3.3699 3.4823 3.4933 3.5527 3.6436 3.6591 3.8090 3.9110 5.5802 5.5988 5.6114 5.6414 5.6692 5.6823 5.7232 5.7438 5.7787 5.7851 6.1997 6.2038 6.8942 6.9299 7.0005 7.0232 k =-0.4231 0.2446 0.5483 ( 12212 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3594 -29.3594 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9632 -7.9630 -7.7927 -7.7925 -7.6977 -7.6976 -7.4694 -7.4694 -7.3875 -7.3870 -7.3372 -7.3367 0.2800 0.2878 0.4144 0.4250 0.7969 0.8248 1.0176 1.0721 1.1657 1.2059 1.2335 1.2940 1.8585 1.8842 1.9672 1.9968 2.1188 2.2081 2.3105 2.3208 2.3523 2.3717 2.6363 2.6447 3.0570 3.0600 3.1006 3.1453 3.3836 3.4948 3.5010 3.5339 3.6422 3.6640 3.8080 3.9004 5.5783 5.5911 5.6189 5.6386 5.6668 5.6839 5.7209 5.7420 5.7749 5.7801 6.2041 6.2074 6.8891 6.9196 6.9936 7.0136 k =-0.4423 0.2557 0.5483 ( 12208 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4857 -28.4857 -7.9544 -7.9543 -7.8006 -7.8005 -7.6916 -7.6916 -7.4710 -7.4710 -7.3921 -7.3918 -7.3392 -7.3389 0.2788 0.2845 0.4128 0.4208 0.8142 0.8372 1.0393 1.0882 1.1455 1.1866 1.2054 1.2672 1.8869 1.9067 1.9831 2.0205 2.1082 2.1932 2.3118 2.3212 2.3486 2.3664 2.6389 2.6455 3.0640 3.0642 3.1059 3.1395 3.4002 3.5062 3.5090 3.5149 3.6418 3.6636 3.8136 3.8892 5.5761 5.5844 5.6249 5.6363 5.6668 5.6857 5.7195 5.7398 5.7715 5.7751 6.2075 6.2101 6.8865 6.9108 6.9893 7.0056 k =-0.4615 0.2668 0.5483 ( 12216 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9474 -7.9473 -7.8070 -7.8069 -7.6871 -7.6871 -7.4722 -7.4721 -7.3957 -7.3955 -7.3407 -7.3404 0.2781 0.2819 0.4121 0.4174 0.8298 0.8466 1.0615 1.0999 1.1309 1.1754 1.1787 1.2412 1.9102 1.9232 1.9968 2.0337 2.1060 2.1757 2.3136 2.3212 2.3471 2.3610 2.6411 2.6456 3.0671 3.0681 3.1109 3.1332 3.4184 3.4955 3.5155 3.5163 3.6425 3.6593 3.8240 3.8772 5.5742 5.5792 5.6288 5.6346 5.6694 5.6860 5.7201 5.7367 5.7688 5.7708 6.2100 6.2117 6.8863 6.9032 6.9875 6.9991 k =-0.4808 0.2779 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9429 -7.9428 -7.8111 -7.8111 -7.6843 -7.6843 -7.4728 -7.4728 -7.3979 -7.3978 -7.3415 -7.3414 0.2781 0.2800 0.4121 0.4148 0.8422 0.8512 1.0821 1.1024 1.1252 1.1530 1.1793 1.2166 1.9265 1.9328 2.0094 2.0321 2.1169 2.1561 2.3158 2.3201 2.3481 2.3559 2.6430 2.6453 3.0691 3.0699 3.1159 3.1269 3.4375 3.4762 3.5214 3.5214 3.6446 3.6536 3.8370 3.8644 5.5732 5.5756 5.6309 5.6332 5.6740 5.6837 5.7231 5.7325 5.7671 5.7680 6.2116 6.2125 6.8881 6.8968 6.9879 6.9939 k =-0.5000 0.2890 0.5483 ( 12224 PWs) bands (ev): -52.6330 -52.6330 -52.6262 -52.6262 -29.3621 -29.3621 -29.3595 -29.3595 -28.7922 -28.7922 -28.7837 -28.7837 -28.5373 -28.5373 -28.4858 -28.4858 -7.9412 -7.9412 -7.8126 -7.8126 -7.6834 -7.6834 -7.4731 -7.4731 -7.3987 -7.3987 -7.3417 -7.3417 0.2787 0.2787 0.4131 0.4131 0.8498 0.8498 1.0965 1.0965 1.1330 1.1330 1.1948 1.1948 1.9342 1.9342 2.0218 2.0218 2.1356 2.1356 2.3181 2.3181 2.3513 2.3513 2.6444 2.6444 3.0701 3.0701 3.1212 3.1212 3.4568 3.4568 3.5234 3.5234 3.6484 3.6484 3.8508 3.8508 5.5736 5.5736 5.6322 5.6322 5.6793 5.6793 5.7277 5.7277 5.7668 5.7668 6.2125 6.2125 6.8917 6.8917 6.9901 6.9901 Writing output data file TiI3.save init_run : 2.02s CPU 2.41s WALL ( 1 calls) electrons : 1098.13s CPU 1127.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.10s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 1098.12s CPU 1127.03s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.04s WALL ( 1 calls) newd : 1.19s CPU 1.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.20s WALL ( 284 calls) cegterg : 1043.22s CPU 1070.12s WALL ( 631 calls) Called by sum_band: Called by *egterg: h_psi : 595.96s CPU 627.39s WALL ( 11560 calls) s_psi : 73.92s CPU 74.10s WALL ( 11560 calls) g_psi : 1.97s CPU 1.95s WALL ( 10645 calls) cdiaghg : 229.98s CPU 226.53s WALL ( 10929 calls) cegterg:over : 74.86s CPU 72.85s WALL ( 10645 calls) cegterg:upda : 42.84s CPU 46.56s WALL ( 10645 calls) cegterg:last : 32.62s CPU 33.28s WALL ( 1767 calls) Called by h_psi: h_psi:vloc : 483.52s CPU 513.77s WALL ( 11560 calls) h_psi:vnl : 111.63s CPU 112.20s WALL ( 11560 calls) add_vuspsi : 55.37s CPU 58.48s WALL ( 11560 calls) General routines calbec : 56.23s CPU 53.68s WALL ( 11560 calls) fft : 0.05s CPU 0.08s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 447.19s CPU 471.27s WALL ( 1713480 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.09s CPU 0.32s WALL ( 568 calls) Parallel routines fft_scatter : 266.12s CPU 264.66s WALL ( 1713503 calls) PWSCF : 19m17.68s CPU 19m58.14s WALL This run was terminated on: 18:12:23 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=