Program PWSCF v.5.1.1 starts on 31Jul2015 at 4:32:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeS.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 14 11 3 526 354 57 Max 15 12 4 537 369 68 Sum 703 559 163 25477 17417 2949 bravais-lattice index = 14 lattice parameter (alat) = 6.5744 a.u. unit-cell volume = 411.9622 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.574357 celldm(2)= 1.000000 celldm(3)= 1.674044 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.674044 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.597356 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 S 6.00 32.06500 S( 1.00) Fe 8.00 55.84500 Fe( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8370221 ) isym = 3 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8370221 ) isym = 4 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 472 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0021186 k( 3) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0021186 k( 4) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0021186 k( 5) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0021186 k( 6) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0021186 k( 7) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0021186 k( 8) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0021186 k( 9) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0021186 k( 10) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0021186 k( 11) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0021186 k( 12) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0021186 k( 13) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0021186 k( 14) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0021186 k( 15) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0021186 k( 16) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0021186 k( 17) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0021186 k( 18) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0021186 k( 19) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0021186 k( 20) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0021186 k( 21) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0021186 k( 22) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0021186 k( 23) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0021186 k( 24) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0021186 k( 25) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0021186 k( 26) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0021186 k( 27) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0021186 k( 28) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0021186 k( 29) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0021186 k( 30) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0021186 k( 31) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0021186 k( 32) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0021186 k( 33) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0021186 k( 34) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0021186 k( 35) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0021186 k( 36) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0021186 k( 37) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0021186 k( 38) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0021186 k( 39) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0021186 k( 40) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0021186 k( 41) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0021186 k( 42) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0021186 k( 43) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0021186 k( 44) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0021186 k( 45) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0021186 k( 46) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0021186 k( 47) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0021186 k( 48) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0021186 k( 49) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0021186 k( 50) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0021186 k( 51) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0021186 k( 52) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0021186 k( 53) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0021186 k( 54) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0021186 k( 55) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0021186 k( 56) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0021186 k( 57) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0021186 k( 58) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0021186 k( 59) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0021186 k( 60) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0021186 k( 61) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0021186 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021186 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021186 k( 64) = ( 0.3225807 0.5773503 -0.0000000), wk = 0.0021186 k( 65) = ( 0.3118280 0.5773503 -0.0000000), wk = 0.0021186 k( 66) = ( 0.3010753 0.5773503 -0.0000000), wk = 0.0021186 k( 67) = ( 0.2903226 0.5773503 -0.0000000), wk = 0.0021186 k( 68) = ( 0.2795699 0.5773503 -0.0000000), wk = 0.0021186 k( 69) = ( 0.2688172 0.5773503 -0.0000000), wk = 0.0021186 k( 70) = ( 0.2580645 0.5773503 -0.0000000), wk = 0.0021186 k( 71) = ( 0.2473118 0.5773503 -0.0000000), wk = 0.0021186 k( 72) = ( 0.2365591 0.5773503 -0.0000000), wk = 0.0021186 k( 73) = ( 0.2258064 0.5773503 -0.0000000), wk = 0.0021186 k( 74) = ( 0.2150538 0.5773503 -0.0000000), wk = 0.0021186 k( 75) = ( 0.2043011 0.5773503 -0.0000000), wk = 0.0021186 k( 76) = ( 0.1935484 0.5773503 -0.0000000), wk = 0.0021186 k( 77) = ( 0.1827957 0.5773503 -0.0000000), wk = 0.0021186 k( 78) = ( 0.1720430 0.5773503 -0.0000000), wk = 0.0021186 k( 79) = ( 0.1612903 0.5773503 -0.0000000), wk = 0.0021186 k( 80) = ( 0.1505376 0.5773503 -0.0000000), wk = 0.0021186 k( 81) = ( 0.1397849 0.5773503 -0.0000000), wk = 0.0021186 k( 82) = ( 0.1290323 0.5773503 -0.0000000), wk = 0.0021186 k( 83) = ( 0.1182796 0.5773503 -0.0000000), wk = 0.0021186 k( 84) = ( 0.1075269 0.5773503 -0.0000000), wk = 0.0021186 k( 85) = ( 0.0967742 0.5773503 -0.0000000), wk = 0.0021186 k( 86) = ( 0.0860215 0.5773503 -0.0000000), wk = 0.0021186 k( 87) = ( 0.0752688 0.5773503 -0.0000000), wk = 0.0021186 k( 88) = ( 0.0645161 0.5773503 -0.0000000), wk = 0.0021186 k( 89) = ( 0.0537634 0.5773503 -0.0000000), wk = 0.0021186 k( 90) = ( 0.0430108 0.5773503 -0.0000000), wk = 0.0021186 k( 91) = ( 0.0322581 0.5773503 -0.0000000), wk = 0.0021186 k( 92) = ( 0.0215054 0.5773503 -0.0000000), wk = 0.0021186 k( 93) = ( 0.0107527 0.5773503 -0.0000000), wk = 0.0021186 k( 94) = ( 0.0000000 0.5773503 -0.0000000), wk = 0.0021186 k( 95) = ( 0.0000000 0.5773503 -0.0000000), wk = 0.0021186 k( 96) = ( 0.0000000 0.5773503 0.0110621), wk = 0.0021186 k( 97) = ( 0.0000000 0.5773503 0.0221243), wk = 0.0021186 k( 98) = ( 0.0000000 0.5773503 0.0331864), wk = 0.0021186 k( 99) = ( 0.0000000 0.5773503 0.0442486), wk = 0.0021186 k( 100) = ( 0.0000000 0.5773503 0.0553107), wk = 0.0021186 k( 101) = ( 0.0000000 0.5773503 0.0663729), wk = 0.0021186 k( 102) = ( 0.0000000 0.5773503 0.0774350), wk = 0.0021186 k( 103) = ( 0.0000000 0.5773503 0.0884972), wk = 0.0021186 k( 104) = ( 0.0000000 0.5773503 0.0995593), wk = 0.0021186 k( 105) = ( 0.0000000 0.5773503 0.1106214), wk = 0.0021186 k( 106) = ( 0.0000000 0.5773503 0.1216836), wk = 0.0021186 k( 107) = ( 0.0000000 0.5773503 0.1327457), wk = 0.0021186 k( 108) = ( 0.0000000 0.5773503 0.1438079), wk = 0.0021186 k( 109) = ( 0.0000000 0.5773503 0.1548700), wk = 0.0021186 k( 110) = ( 0.0000000 0.5773503 0.1659322), wk = 0.0021186 k( 111) = ( 0.0000000 0.5773503 0.1769943), wk = 0.0021186 k( 112) = ( 0.0000000 0.5773503 0.1880564), wk = 0.0021186 k( 113) = ( 0.0000000 0.5773503 0.1991186), wk = 0.0021186 k( 114) = ( 0.0000000 0.5773503 0.2101807), wk = 0.0021186 k( 115) = ( 0.0000000 0.5773503 0.2212429), wk = 0.0021186 k( 116) = ( 0.0000000 0.5773503 0.2323050), wk = 0.0021186 k( 117) = ( 0.0000000 0.5773503 0.2433672), wk = 0.0021186 k( 118) = ( 0.0000000 0.5773503 0.2544293), wk = 0.0021186 k( 119) = ( 0.0000000 0.5773503 0.2654915), wk = 0.0021186 k( 120) = ( 0.0000000 0.5773503 0.2765536), wk = 0.0021186 k( 121) = ( 0.0000000 0.5773503 0.2876157), wk = 0.0021186 k( 122) = ( 0.0000000 0.5773503 0.2986779), wk = 0.0021186 k( 123) = ( 0.0000000 0.5773503 0.2986779), wk = 0.0021186 k( 124) = ( 0.0107527 0.5773503 0.2986779), wk = 0.0021186 k( 125) = ( 0.0215054 0.5773503 0.2986779), wk = 0.0021186 k( 126) = ( 0.0322581 0.5773503 0.2986779), wk = 0.0021186 k( 127) = ( 0.0430108 0.5773503 0.2986779), wk = 0.0021186 k( 128) = ( 0.0537634 0.5773503 0.2986779), wk = 0.0021186 k( 129) = ( 0.0645161 0.5773503 0.2986779), wk = 0.0021186 k( 130) = ( 0.0752688 0.5773503 0.2986779), wk = 0.0021186 k( 131) = ( 0.0860215 0.5773503 0.2986779), wk = 0.0021186 k( 132) = ( 0.0967742 0.5773503 0.2986779), wk = 0.0021186 k( 133) = ( 0.1075269 0.5773503 0.2986779), wk = 0.0021186 k( 134) = ( 0.1182796 0.5773503 0.2986779), wk = 0.0021186 k( 135) = ( 0.1290323 0.5773503 0.2986779), wk = 0.0021186 k( 136) = ( 0.1397849 0.5773503 0.2986779), wk = 0.0021186 k( 137) = ( 0.1505376 0.5773503 0.2986779), wk = 0.0021186 k( 138) = ( 0.1612903 0.5773503 0.2986779), wk = 0.0021186 k( 139) = ( 0.1720430 0.5773503 0.2986779), wk = 0.0021186 k( 140) = ( 0.1827957 0.5773503 0.2986779), wk = 0.0021186 k( 141) = ( 0.1935484 0.5773503 0.2986779), wk = 0.0021186 k( 142) = ( 0.2043011 0.5773503 0.2986779), wk = 0.0021186 k( 143) = ( 0.2150538 0.5773503 0.2986779), wk = 0.0021186 k( 144) = ( 0.2258064 0.5773503 0.2986779), wk = 0.0021186 k( 145) = ( 0.2365591 0.5773503 0.2986779), wk = 0.0021186 k( 146) = ( 0.2473118 0.5773503 0.2986779), wk = 0.0021186 k( 147) = ( 0.2580645 0.5773503 0.2986779), wk = 0.0021186 k( 148) = ( 0.2688172 0.5773503 0.2986779), wk = 0.0021186 k( 149) = ( 0.2795699 0.5773503 0.2986779), wk = 0.0021186 k( 150) = ( 0.2903226 0.5773503 0.2986779), wk = 0.0021186 k( 151) = ( 0.3010753 0.5773503 0.2986779), wk = 0.0021186 k( 152) = ( 0.3118280 0.5773503 0.2986779), wk = 0.0021186 k( 153) = ( 0.3225807 0.5773503 0.2986779), wk = 0.0021186 k( 154) = ( 0.3333333 0.5773503 0.2986779), wk = 0.0021186 k( 155) = ( 0.3333333 0.5773503 0.2986779), wk = 0.0021186 k( 156) = ( 0.3278688 0.5678855 0.2986779), wk = 0.0021186 k( 157) = ( 0.3224044 0.5584207 0.2986779), wk = 0.0021186 k( 158) = ( 0.3169399 0.5489560 0.2986779), wk = 0.0021186 k( 159) = ( 0.3114754 0.5394912 0.2986779), wk = 0.0021186 k( 160) = ( 0.3060109 0.5300265 0.2986779), wk = 0.0021186 k( 161) = ( 0.3005465 0.5205617 0.2986779), wk = 0.0021186 k( 162) = ( 0.2950820 0.5110970 0.2986779), wk = 0.0021186 k( 163) = ( 0.2896175 0.5016322 0.2986779), wk = 0.0021186 k( 164) = ( 0.2841530 0.4921675 0.2986779), wk = 0.0021186 k( 165) = ( 0.2786885 0.4827027 0.2986779), wk = 0.0021186 k( 166) = ( 0.2732240 0.4732379 0.2986779), wk = 0.0021186 k( 167) = ( 0.2677596 0.4637732 0.2986779), wk = 0.0021186 k( 168) = ( 0.2622951 0.4543084 0.2986779), wk = 0.0021186 k( 169) = ( 0.2568306 0.4448436 0.2986779), wk = 0.0021186 k( 170) = ( 0.2513661 0.4353789 0.2986779), wk = 0.0021186 k( 171) = ( 0.2459016 0.4259141 0.2986779), wk = 0.0021186 k( 172) = ( 0.2404372 0.4164494 0.2986779), wk = 0.0021186 k( 173) = ( 0.2349727 0.4069846 0.2986779), wk = 0.0021186 k( 174) = ( 0.2295082 0.3975199 0.2986779), wk = 0.0021186 k( 175) = ( 0.2240437 0.3880551 0.2986779), wk = 0.0021186 k( 176) = ( 0.2185792 0.3785903 0.2986779), wk = 0.0021186 k( 177) = ( 0.2131147 0.3691256 0.2986779), wk = 0.0021186 k( 178) = ( 0.2076503 0.3596608 0.2986779), wk = 0.0021186 k( 179) = ( 0.2021858 0.3501961 0.2986779), wk = 0.0021186 k( 180) = ( 0.1967213 0.3407313 0.2986779), wk = 0.0021186 k( 181) = ( 0.1912568 0.3312665 0.2986779), wk = 0.0021186 k( 182) = ( 0.1857923 0.3218018 0.2986779), wk = 0.0021186 k( 183) = ( 0.1803279 0.3123370 0.2986779), wk = 0.0021186 k( 184) = ( 0.1748634 0.3028723 0.2986779), wk = 0.0021186 k( 185) = ( 0.1693989 0.2934075 0.2986779), wk = 0.0021186 k( 186) = ( 0.1639344 0.2839428 0.2986779), wk = 0.0021186 k( 187) = ( 0.1584699 0.2744780 0.2986779), wk = 0.0021186 k( 188) = ( 0.1530055 0.2650132 0.2986779), wk = 0.0021186 k( 189) = ( 0.1475410 0.2555485 0.2986779), wk = 0.0021186 k( 190) = ( 0.1420765 0.2460837 0.2986779), wk = 0.0021186 k( 191) = ( 0.1366120 0.2366190 0.2986779), wk = 0.0021186 k( 192) = ( 0.1311475 0.2271542 0.2986779), wk = 0.0021186 k( 193) = ( 0.1256831 0.2176894 0.2986779), wk = 0.0021186 k( 194) = ( 0.1202186 0.2082247 0.2986779), wk = 0.0021186 k( 195) = ( 0.1147541 0.1987599 0.2986779), wk = 0.0021186 k( 196) = ( 0.1092896 0.1892952 0.2986779), wk = 0.0021186 k( 197) = ( 0.1038251 0.1798304 0.2986779), wk = 0.0021186 k( 198) = ( 0.0983607 0.1703657 0.2986779), wk = 0.0021186 k( 199) = ( 0.0928962 0.1609009 0.2986779), wk = 0.0021186 k( 200) = ( 0.0874317 0.1514361 0.2986779), wk = 0.0021186 k( 201) = ( 0.0819672 0.1419714 0.2986779), wk = 0.0021186 k( 202) = ( 0.0765027 0.1325066 0.2986779), wk = 0.0021186 k( 203) = ( 0.0710382 0.1230419 0.2986779), wk = 0.0021186 k( 204) = ( 0.0655738 0.1135771 0.2986779), wk = 0.0021186 k( 205) = ( 0.0601093 0.1041123 0.2986779), wk = 0.0021186 k( 206) = ( 0.0546448 0.0946476 0.2986779), wk = 0.0021186 k( 207) = ( 0.0491803 0.0851828 0.2986779), wk = 0.0021186 k( 208) = ( 0.0437159 0.0757181 0.2986779), wk = 0.0021186 k( 209) = ( 0.0382514 0.0662533 0.2986779), wk = 0.0021186 k( 210) = ( 0.0327869 0.0567886 0.2986779), wk = 0.0021186 k( 211) = ( 0.0273224 0.0473238 0.2986779), wk = 0.0021186 k( 212) = ( 0.0218579 0.0378590 0.2986779), wk = 0.0021186 k( 213) = ( 0.0163934 0.0283943 0.2986779), wk = 0.0021186 k( 214) = ( 0.0109290 0.0189295 0.2986779), wk = 0.0021186 k( 215) = ( 0.0054645 0.0094648 0.2986779), wk = 0.0021186 k( 216) = ( 0.0000000 0.0000000 0.2986779), wk = 0.0021186 k( 217) = ( 0.0000000 0.0000000 0.2986779), wk = 0.0021186 k( 218) = ( 0.0000000 0.0000000 0.2876157), wk = 0.0021186 k( 219) = ( 0.0000000 0.0000000 0.2765536), wk = 0.0021186 k( 220) = ( 0.0000000 0.0000000 0.2654915), wk = 0.0021186 k( 221) = ( 0.0000000 0.0000000 0.2544293), wk = 0.0021186 k( 222) = ( 0.0000000 0.0000000 0.2433672), wk = 0.0021186 k( 223) = ( 0.0000000 0.0000000 0.2323050), wk = 0.0021186 k( 224) = ( 0.0000000 0.0000000 0.2212429), wk = 0.0021186 k( 225) = ( 0.0000000 0.0000000 0.2101807), wk = 0.0021186 k( 226) = ( 0.0000000 0.0000000 0.1991186), wk = 0.0021186 k( 227) = ( 0.0000000 0.0000000 0.1880564), wk = 0.0021186 k( 228) = ( 0.0000000 0.0000000 0.1769943), wk = 0.0021186 k( 229) = ( 0.0000000 0.0000000 0.1659322), wk = 0.0021186 k( 230) = ( 0.0000000 0.0000000 0.1548700), wk = 0.0021186 k( 231) = ( 0.0000000 0.0000000 0.1438079), wk = 0.0021186 k( 232) = ( 0.0000000 0.0000000 0.1327457), wk = 0.0021186 k( 233) = ( 0.0000000 0.0000000 0.1216836), wk = 0.0021186 k( 234) = ( 0.0000000 0.0000000 0.1106214), wk = 0.0021186 k( 235) = ( 0.0000000 0.0000000 0.0995593), wk = 0.0021186 k( 236) = ( 0.0000000 0.0000000 0.0884972), wk = 0.0021186 k( 237) = ( 0.0000000 0.0000000 0.0774350), wk = 0.0021186 k( 238) = ( 0.0000000 0.0000000 0.0663729), wk = 0.0021186 k( 239) = ( 0.0000000 0.0000000 0.0553107), wk = 0.0021186 k( 240) = ( 0.0000000 0.0000000 0.0442486), wk = 0.0021186 k( 241) = ( 0.0000000 0.0000000 0.0331864), wk = 0.0021186 k( 242) = ( 0.0000000 0.0000000 0.0221243), wk = 0.0021186 k( 243) = ( 0.0000000 0.0000000 0.0110621), wk = 0.0021186 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 246) = ( -0.0094340 0.0054467 0.0000000), wk = 0.0021186 k( 247) = ( -0.0188679 0.0108934 0.0000000), wk = 0.0021186 k( 248) = ( -0.0283019 0.0163401 0.0000000), wk = 0.0021186 k( 249) = ( -0.0377359 0.0217868 0.0000000), wk = 0.0021186 k( 250) = ( -0.0471698 0.0272335 0.0000000), wk = 0.0021186 k( 251) = ( -0.0566038 0.0326802 0.0000000), wk = 0.0021186 k( 252) = ( -0.0660377 0.0381269 0.0000000), wk = 0.0021186 k( 253) = ( -0.0754717 0.0435736 0.0000000), wk = 0.0021186 k( 254) = ( -0.0849057 0.0490203 0.0000000), wk = 0.0021186 k( 255) = ( -0.0943396 0.0544670 0.0000000), wk = 0.0021186 k( 256) = ( -0.1037736 0.0599137 0.0000000), wk = 0.0021186 k( 257) = ( -0.1132076 0.0653604 0.0000000), wk = 0.0021186 k( 258) = ( -0.1226415 0.0708071 0.0000000), wk = 0.0021186 k( 259) = ( -0.1320755 0.0762538 0.0000000), wk = 0.0021186 k( 260) = ( -0.1415094 0.0817005 0.0000000), wk = 0.0021186 k( 261) = ( -0.1509434 0.0871472 0.0000000), wk = 0.0021186 k( 262) = ( -0.1603774 0.0925939 0.0000000), wk = 0.0021186 k( 263) = ( -0.1698113 0.0980406 0.0000000), wk = 0.0021186 k( 264) = ( -0.1792453 0.1034873 0.0000000), wk = 0.0021186 k( 265) = ( -0.1886792 0.1089340 0.0000000), wk = 0.0021186 k( 266) = ( -0.1981132 0.1143807 0.0000000), wk = 0.0021186 k( 267) = ( -0.2075472 0.1198274 0.0000000), wk = 0.0021186 k( 268) = ( -0.2169811 0.1252741 0.0000000), wk = 0.0021186 k( 269) = ( -0.2264151 0.1307208 0.0000000), wk = 0.0021186 k( 270) = ( -0.2358491 0.1361675 0.0000000), wk = 0.0021186 k( 271) = ( -0.2452830 0.1416142 0.0000000), wk = 0.0021186 k( 272) = ( -0.2547170 0.1470609 0.0000000), wk = 0.0021186 k( 273) = ( -0.2641509 0.1525076 0.0000000), wk = 0.0021186 k( 274) = ( -0.2735849 0.1579543 0.0000000), wk = 0.0021186 k( 275) = ( -0.2830189 0.1634010 0.0000000), wk = 0.0021186 k( 276) = ( -0.2924528 0.1688477 0.0000000), wk = 0.0021186 k( 277) = ( -0.3018868 0.1742944 0.0000000), wk = 0.0021186 k( 278) = ( -0.3113207 0.1797411 0.0000000), wk = 0.0021186 k( 279) = ( -0.3207547 0.1851878 0.0000000), wk = 0.0021186 k( 280) = ( -0.3301887 0.1906345 0.0000000), wk = 0.0021186 k( 281) = ( -0.3396226 0.1960812 0.0000000), wk = 0.0021186 k( 282) = ( -0.3490566 0.2015279 0.0000000), wk = 0.0021186 k( 283) = ( -0.3584906 0.2069746 0.0000000), wk = 0.0021186 k( 284) = ( -0.3679245 0.2124213 0.0000000), wk = 0.0021186 k( 285) = ( -0.3773585 0.2178680 0.0000000), wk = 0.0021186 k( 286) = ( -0.3867925 0.2233147 0.0000000), wk = 0.0021186 k( 287) = ( -0.3962264 0.2287614 0.0000000), wk = 0.0021186 k( 288) = ( -0.4056604 0.2342081 0.0000000), wk = 0.0021186 k( 289) = ( -0.4150943 0.2396548 0.0000000), wk = 0.0021186 k( 290) = ( -0.4245283 0.2451015 0.0000000), wk = 0.0021186 k( 291) = ( -0.4339623 0.2505482 0.0000000), wk = 0.0021186 k( 292) = ( -0.4433962 0.2559949 0.0000000), wk = 0.0021186 k( 293) = ( -0.4528302 0.2614416 0.0000000), wk = 0.0021186 k( 294) = ( -0.4622641 0.2668883 0.0000000), wk = 0.0021186 k( 295) = ( -0.4716981 0.2723350 0.0000000), wk = 0.0021186 k( 296) = ( -0.4811321 0.2777817 0.0000000), wk = 0.0021186 k( 297) = ( -0.4905660 0.2832284 0.0000000), wk = 0.0021186 k( 298) = ( -0.5000000 0.2886751 0.0000000), wk = 0.0021186 k( 299) = ( -0.5000000 0.2886751 0.0000000), wk = 0.0021186 k( 300) = ( -0.4946237 0.2979872 -0.0000000), wk = 0.0021186 k( 301) = ( -0.4892473 0.3072993 -0.0000000), wk = 0.0021186 k( 302) = ( -0.4838710 0.3166114 -0.0000000), wk = 0.0021186 k( 303) = ( -0.4784946 0.3259235 -0.0000000), wk = 0.0021186 k( 304) = ( -0.4731183 0.3352356 -0.0000000), wk = 0.0021186 k( 305) = ( -0.4677419 0.3445477 -0.0000000), wk = 0.0021186 k( 306) = ( -0.4623656 0.3538598 -0.0000000), wk = 0.0021186 k( 307) = ( -0.4569893 0.3631719 -0.0000000), wk = 0.0021186 k( 308) = ( -0.4516129 0.3724841 -0.0000000), wk = 0.0021186 k( 309) = ( -0.4462366 0.3817961 -0.0000000), wk = 0.0021186 k( 310) = ( -0.4408602 0.3911082 -0.0000000), wk = 0.0021186 k( 311) = ( -0.4354839 0.4004203 -0.0000000), wk = 0.0021186 k( 312) = ( -0.4301075 0.4097324 -0.0000000), wk = 0.0021186 k( 313) = ( -0.4247312 0.4190446 -0.0000000), wk = 0.0021186 k( 314) = ( -0.4193548 0.4283566 -0.0000000), wk = 0.0021186 k( 315) = ( -0.4139785 0.4376688 -0.0000000), wk = 0.0021186 k( 316) = ( -0.4086021 0.4469809 -0.0000000), wk = 0.0021186 k( 317) = ( -0.4032258 0.4562929 -0.0000000), wk = 0.0021186 k( 318) = ( -0.3978495 0.4656051 -0.0000000), wk = 0.0021186 k( 319) = ( -0.3924731 0.4749172 -0.0000000), wk = 0.0021186 k( 320) = ( -0.3870968 0.4842293 -0.0000000), wk = 0.0021186 k( 321) = ( -0.3817204 0.4935414 -0.0000000), wk = 0.0021186 k( 322) = ( -0.3763441 0.5028535 -0.0000000), wk = 0.0021186 k( 323) = ( -0.3709677 0.5121656 -0.0000000), wk = 0.0021186 k( 324) = ( -0.3655914 0.5214777 -0.0000000), wk = 0.0021186 k( 325) = ( -0.3602150 0.5307898 -0.0000000), wk = 0.0021186 k( 326) = ( -0.3548387 0.5401019 -0.0000000), wk = 0.0021186 k( 327) = ( -0.3494624 0.5494140 -0.0000000), wk = 0.0021186 k( 328) = ( -0.3440860 0.5587261 -0.0000000), wk = 0.0021186 k( 329) = ( -0.3387097 0.5680382 -0.0000000), wk = 0.0021186 k( 330) = ( -0.3333333 0.5773503 -0.0000000), wk = 0.0021186 k( 331) = ( -0.3333333 0.5773503 -0.0000000), wk = 0.0021186 k( 332) = ( -0.3333333 0.5773503 0.0110621), wk = 0.0021186 k( 333) = ( -0.3333333 0.5773503 0.0221243), wk = 0.0021186 k( 334) = ( -0.3333333 0.5773503 0.0331864), wk = 0.0021186 k( 335) = ( -0.3333333 0.5773503 0.0442486), wk = 0.0021186 k( 336) = ( -0.3333333 0.5773503 0.0553107), wk = 0.0021186 k( 337) = ( -0.3333333 0.5773503 0.0663729), wk = 0.0021186 k( 338) = ( -0.3333333 0.5773503 0.0774350), wk = 0.0021186 k( 339) = ( -0.3333333 0.5773503 0.0884972), wk = 0.0021186 k( 340) = ( -0.3333333 0.5773503 0.0995593), wk = 0.0021186 k( 341) = ( -0.3333333 0.5773503 0.1106214), wk = 0.0021186 k( 342) = ( -0.3333333 0.5773503 0.1216836), wk = 0.0021186 k( 343) = ( -0.3333333 0.5773503 0.1327457), wk = 0.0021186 k( 344) = ( -0.3333333 0.5773503 0.1438079), wk = 0.0021186 k( 345) = ( -0.3333333 0.5773503 0.1548700), wk = 0.0021186 k( 346) = ( -0.3333333 0.5773503 0.1659322), wk = 0.0021186 k( 347) = ( -0.3333333 0.5773503 0.1769943), wk = 0.0021186 k( 348) = ( -0.3333333 0.5773503 0.1880564), wk = 0.0021186 k( 349) = ( -0.3333333 0.5773503 0.1991186), wk = 0.0021186 k( 350) = ( -0.3333333 0.5773503 0.2101807), wk = 0.0021186 k( 351) = ( -0.3333333 0.5773503 0.2212429), wk = 0.0021186 k( 352) = ( -0.3333333 0.5773503 0.2323050), wk = 0.0021186 k( 353) = ( -0.3333333 0.5773503 0.2433672), wk = 0.0021186 k( 354) = ( -0.3333333 0.5773503 0.2544293), wk = 0.0021186 k( 355) = ( -0.3333333 0.5773503 0.2654915), wk = 0.0021186 k( 356) = ( -0.3333333 0.5773503 0.2765536), wk = 0.0021186 k( 357) = ( -0.3333333 0.5773503 0.2876157), wk = 0.0021186 k( 358) = ( -0.3333333 0.5773503 0.2986779), wk = 0.0021186 k( 359) = ( -0.3333333 0.5773503 0.2986779), wk = 0.0021186 k( 360) = ( -0.3387097 0.5680382 0.2986779), wk = 0.0021186 k( 361) = ( -0.3440860 0.5587261 0.2986779), wk = 0.0021186 k( 362) = ( -0.3494624 0.5494140 0.2986779), wk = 0.0021186 k( 363) = ( -0.3548387 0.5401019 0.2986779), wk = 0.0021186 k( 364) = ( -0.3602150 0.5307898 0.2986779), wk = 0.0021186 k( 365) = ( -0.3655914 0.5214777 0.2986779), wk = 0.0021186 k( 366) = ( -0.3709677 0.5121656 0.2986779), wk = 0.0021186 k( 367) = ( -0.3763441 0.5028535 0.2986779), wk = 0.0021186 k( 368) = ( -0.3817204 0.4935414 0.2986779), wk = 0.0021186 k( 369) = ( -0.3870968 0.4842293 0.2986779), wk = 0.0021186 k( 370) = ( -0.3924731 0.4749172 0.2986779), wk = 0.0021186 k( 371) = ( -0.3978495 0.4656051 0.2986779), wk = 0.0021186 k( 372) = ( -0.4032258 0.4562929 0.2986779), wk = 0.0021186 k( 373) = ( -0.4086021 0.4469809 0.2986779), wk = 0.0021186 k( 374) = ( -0.4139785 0.4376688 0.2986779), wk = 0.0021186 k( 375) = ( -0.4193548 0.4283566 0.2986779), wk = 0.0021186 k( 376) = ( -0.4247312 0.4190446 0.2986779), wk = 0.0021186 k( 377) = ( -0.4301075 0.4097324 0.2986779), wk = 0.0021186 k( 378) = ( -0.4354839 0.4004203 0.2986779), wk = 0.0021186 k( 379) = ( -0.4408602 0.3911082 0.2986779), wk = 0.0021186 k( 380) = ( -0.4462366 0.3817961 0.2986779), wk = 0.0021186 k( 381) = ( -0.4516129 0.3724841 0.2986779), wk = 0.0021186 k( 382) = ( -0.4569893 0.3631719 0.2986779), wk = 0.0021186 k( 383) = ( -0.4623656 0.3538598 0.2986779), wk = 0.0021186 k( 384) = ( -0.4677419 0.3445477 0.2986779), wk = 0.0021186 k( 385) = ( -0.4731183 0.3352356 0.2986779), wk = 0.0021186 k( 386) = ( -0.4784946 0.3259235 0.2986779), wk = 0.0021186 k( 387) = ( -0.4838710 0.3166114 0.2986779), wk = 0.0021186 k( 388) = ( -0.4892473 0.3072993 0.2986779), wk = 0.0021186 k( 389) = ( -0.4946237 0.2979872 0.2986779), wk = 0.0021186 k( 390) = ( -0.5000000 0.2886751 0.2986779), wk = 0.0021186 k( 391) = ( -0.5000000 0.2886751 0.2986779), wk = 0.0021186 k( 392) = ( -0.5000000 0.2886751 0.2876157), wk = 0.0021186 k( 393) = ( -0.5000000 0.2886751 0.2765536), wk = 0.0021186 k( 394) = ( -0.5000000 0.2886751 0.2654915), wk = 0.0021186 k( 395) = ( -0.5000000 0.2886751 0.2544293), wk = 0.0021186 k( 396) = ( -0.5000000 0.2886751 0.2433672), wk = 0.0021186 k( 397) = ( -0.5000000 0.2886751 0.2323050), wk = 0.0021186 k( 398) = ( -0.5000000 0.2886751 0.2212429), wk = 0.0021186 k( 399) = ( -0.5000000 0.2886751 0.2101807), wk = 0.0021186 k( 400) = ( -0.5000000 0.2886751 0.1991186), wk = 0.0021186 k( 401) = ( -0.5000000 0.2886751 0.1880564), wk = 0.0021186 k( 402) = ( -0.5000000 0.2886751 0.1769943), wk = 0.0021186 k( 403) = ( -0.5000000 0.2886751 0.1659322), wk = 0.0021186 k( 404) = ( -0.5000000 0.2886751 0.1548700), wk = 0.0021186 k( 405) = ( -0.5000000 0.2886751 0.1438079), wk = 0.0021186 k( 406) = ( -0.5000000 0.2886751 0.1327457), wk = 0.0021186 k( 407) = ( -0.5000000 0.2886751 0.1216836), wk = 0.0021186 k( 408) = ( -0.5000000 0.2886751 0.1106214), wk = 0.0021186 k( 409) = ( -0.5000000 0.2886751 0.0995593), wk = 0.0021186 k( 410) = ( -0.5000000 0.2886751 0.0884972), wk = 0.0021186 k( 411) = ( -0.5000000 0.2886751 0.0774350), wk = 0.0021186 k( 412) = ( -0.5000000 0.2886751 0.0663729), wk = 0.0021186 k( 413) = ( -0.5000000 0.2886751 0.0553107), wk = 0.0021186 k( 414) = ( -0.5000000 0.2886751 0.0442486), wk = 0.0021186 k( 415) = ( -0.5000000 0.2886751 0.0331864), wk = 0.0021186 k( 416) = ( -0.5000000 0.2886751 0.0221243), wk = 0.0021186 k( 417) = ( -0.5000000 0.2886751 0.0110621), wk = 0.0021186 k( 418) = ( -0.5000000 0.2886751 0.0000000), wk = 0.0021186 k( 419) = ( 0.0000000 0.0000000 0.2986779), wk = 0.0021186 k( 420) = ( -0.0094340 0.0054467 0.2986779), wk = 0.0021186 k( 421) = ( -0.0188679 0.0108934 0.2986779), wk = 0.0021186 k( 422) = ( -0.0283019 0.0163401 0.2986779), wk = 0.0021186 k( 423) = ( -0.0377359 0.0217868 0.2986779), wk = 0.0021186 k( 424) = ( -0.0471698 0.0272335 0.2986779), wk = 0.0021186 k( 425) = ( -0.0566038 0.0326802 0.2986779), wk = 0.0021186 k( 426) = ( -0.0660377 0.0381269 0.2986779), wk = 0.0021186 k( 427) = ( -0.0754717 0.0435736 0.2986779), wk = 0.0021186 k( 428) = ( -0.0849057 0.0490203 0.2986779), wk = 0.0021186 k( 429) = ( -0.0943396 0.0544670 0.2986779), wk = 0.0021186 k( 430) = ( -0.1037736 0.0599137 0.2986779), wk = 0.0021186 k( 431) = ( -0.1132076 0.0653604 0.2986779), wk = 0.0021186 k( 432) = ( -0.1226415 0.0708071 0.2986779), wk = 0.0021186 k( 433) = ( -0.1320755 0.0762538 0.2986779), wk = 0.0021186 k( 434) = ( -0.1415094 0.0817005 0.2986779), wk = 0.0021186 k( 435) = ( -0.1509434 0.0871472 0.2986779), wk = 0.0021186 k( 436) = ( -0.1603774 0.0925939 0.2986779), wk = 0.0021186 k( 437) = ( -0.1698113 0.0980406 0.2986779), wk = 0.0021186 k( 438) = ( -0.1792453 0.1034873 0.2986779), wk = 0.0021186 k( 439) = ( -0.1886792 0.1089340 0.2986779), wk = 0.0021186 k( 440) = ( -0.1981132 0.1143807 0.2986779), wk = 0.0021186 k( 441) = ( -0.2075472 0.1198274 0.2986779), wk = 0.0021186 k( 442) = ( -0.2169811 0.1252741 0.2986779), wk = 0.0021186 k( 443) = ( -0.2264151 0.1307208 0.2986779), wk = 0.0021186 k( 444) = ( -0.2358491 0.1361675 0.2986779), wk = 0.0021186 k( 445) = ( -0.2452830 0.1416142 0.2986779), wk = 0.0021186 k( 446) = ( -0.2547170 0.1470609 0.2986779), wk = 0.0021186 k( 447) = ( -0.2641509 0.1525076 0.2986779), wk = 0.0021186 k( 448) = ( -0.2735849 0.1579543 0.2986779), wk = 0.0021186 k( 449) = ( -0.2830189 0.1634010 0.2986779), wk = 0.0021186 k( 450) = ( -0.2924528 0.1688477 0.2986779), wk = 0.0021186 k( 451) = ( -0.3018868 0.1742944 0.2986779), wk = 0.0021186 k( 452) = ( -0.3113207 0.1797411 0.2986779), wk = 0.0021186 k( 453) = ( -0.3207547 0.1851878 0.2986779), wk = 0.0021186 k( 454) = ( -0.3301887 0.1906345 0.2986779), wk = 0.0021186 k( 455) = ( -0.3396226 0.1960812 0.2986779), wk = 0.0021186 k( 456) = ( -0.3490566 0.2015279 0.2986779), wk = 0.0021186 k( 457) = ( -0.3584906 0.2069746 0.2986779), wk = 0.0021186 k( 458) = ( -0.3679245 0.2124213 0.2986779), wk = 0.0021186 k( 459) = ( -0.3773585 0.2178680 0.2986779), wk = 0.0021186 k( 460) = ( -0.3867925 0.2233147 0.2986779), wk = 0.0021186 k( 461) = ( -0.3962264 0.2287614 0.2986779), wk = 0.0021186 k( 462) = ( -0.4056604 0.2342081 0.2986779), wk = 0.0021186 k( 463) = ( -0.4150943 0.2396548 0.2986779), wk = 0.0021186 k( 464) = ( -0.4245283 0.2451015 0.2986779), wk = 0.0021186 k( 465) = ( -0.4339623 0.2505482 0.2986779), wk = 0.0021186 k( 466) = ( -0.4433962 0.2559949 0.2986779), wk = 0.0021186 k( 467) = ( -0.4528302 0.2614416 0.2986779), wk = 0.0021186 k( 468) = ( -0.4622641 0.2668883 0.2986779), wk = 0.0021186 k( 469) = ( -0.4716981 0.2723350 0.2986779), wk = 0.0021186 k( 470) = ( -0.4811321 0.2777817 0.2986779), wk = 0.0021186 k( 471) = ( -0.4905660 0.2832284 0.2986779), wk = 0.0021186 k( 472) = ( -0.5000000 0.2886751 0.2986779), wk = 0.0021186 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0054645 0.0054645 -0.0000000), wk = 0.0021186 k( 3) = ( 0.0109290 0.0109290 -0.0000000), wk = 0.0021186 k( 4) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0021186 k( 5) = ( 0.0218579 0.0218579 -0.0000000), wk = 0.0021186 k( 6) = ( 0.0273224 0.0273224 0.0000000), wk = 0.0021186 k( 7) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0021186 k( 8) = ( 0.0382514 0.0382514 -0.0000000), wk = 0.0021186 k( 9) = ( 0.0437159 0.0437159 0.0000000), wk = 0.0021186 k( 10) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0021186 k( 11) = ( 0.0546448 0.0546448 -0.0000000), wk = 0.0021186 k( 12) = ( 0.0601093 0.0601093 -0.0000000), wk = 0.0021186 k( 13) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0021186 k( 14) = ( 0.0710382 0.0710382 -0.0000000), wk = 0.0021186 k( 15) = ( 0.0765027 0.0765027 0.0000000), wk = 0.0021186 k( 16) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0021186 k( 17) = ( 0.0874317 0.0874317 -0.0000000), wk = 0.0021186 k( 18) = ( 0.0928962 0.0928962 0.0000000), wk = 0.0021186 k( 19) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0021186 k( 20) = ( 0.1038251 0.1038251 -0.0000000), wk = 0.0021186 k( 21) = ( 0.1092896 0.1092896 -0.0000000), wk = 0.0021186 k( 22) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0021186 k( 23) = ( 0.1202186 0.1202186 -0.0000000), wk = 0.0021186 k( 24) = ( 0.1256831 0.1256831 0.0000000), wk = 0.0021186 k( 25) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0021186 k( 26) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0021186 k( 27) = ( 0.1420765 0.1420765 -0.0000000), wk = 0.0021186 k( 28) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0021186 k( 29) = ( 0.1530055 0.1530055 0.0000000), wk = 0.0021186 k( 30) = ( 0.1584699 0.1584700 0.0000000), wk = 0.0021186 k( 31) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0021186 k( 32) = ( 0.1693989 0.1693989 0.0000000), wk = 0.0021186 k( 33) = ( 0.1748634 0.1748634 -0.0000000), wk = 0.0021186 k( 34) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0021186 k( 35) = ( 0.1857923 0.1857924 0.0000000), wk = 0.0021186 k( 36) = ( 0.1912568 0.1912568 0.0000000), wk = 0.0021186 k( 37) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0021186 k( 38) = ( 0.2021858 0.2021858 0.0000000), wk = 0.0021186 k( 39) = ( 0.2076503 0.2076503 -0.0000000), wk = 0.0021186 k( 40) = ( 0.2131147 0.2131148 -0.0000000), wk = 0.0021186 k( 41) = ( 0.2185792 0.2185792 0.0000000), wk = 0.0021186 k( 42) = ( 0.2240437 0.2240437 -0.0000000), wk = 0.0021186 k( 43) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0021186 k( 44) = ( 0.2349727 0.2349727 0.0000000), wk = 0.0021186 k( 45) = ( 0.2404372 0.2404372 -0.0000000), wk = 0.0021186 k( 46) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0021186 k( 47) = ( 0.2513661 0.2513661 0.0000000), wk = 0.0021186 k( 48) = ( 0.2568306 0.2568306 0.0000000), wk = 0.0021186 k( 49) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0021186 k( 50) = ( 0.2677596 0.2677596 -0.0000000), wk = 0.0021186 k( 51) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0021186 k( 52) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0021186 k( 53) = ( 0.2841530 0.2841530 0.0000000), wk = 0.0021186 k( 54) = ( 0.2896175 0.2896175 0.0000000), wk = 0.0021186 k( 55) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0021186 k( 56) = ( 0.3005465 0.3005465 -0.0000000), wk = 0.0021186 k( 57) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0021186 k( 58) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0021186 k( 59) = ( 0.3169399 0.3169399 -0.0000000), wk = 0.0021186 k( 60) = ( 0.3224044 0.3224044 0.0000000), wk = 0.0021186 k( 61) = ( 0.3278688 0.3278689 -0.0000000), wk = 0.0021186 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021186 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021186 k( 64) = ( 0.3225807 0.3387097 -0.0000000), wk = 0.0021186 k( 65) = ( 0.3118280 0.3440860 0.0000000), wk = 0.0021186 k( 66) = ( 0.3010753 0.3494624 -0.0000000), wk = 0.0021186 k( 67) = ( 0.2903226 0.3548387 0.0000000), wk = 0.0021186 k( 68) = ( 0.2795699 0.3602150 0.0000000), wk = 0.0021186 k( 69) = ( 0.2688172 0.3655914 0.0000000), wk = 0.0021186 k( 70) = ( 0.2580645 0.3709677 0.0000000), wk = 0.0021186 k( 71) = ( 0.2473118 0.3763441 0.0000000), wk = 0.0021186 k( 72) = ( 0.2365591 0.3817204 0.0000000), wk = 0.0021186 k( 73) = ( 0.2258064 0.3870968 -0.0000000), wk = 0.0021186 k( 74) = ( 0.2150538 0.3924731 -0.0000000), wk = 0.0021186 k( 75) = ( 0.2043011 0.3978495 0.0000000), wk = 0.0021186 k( 76) = ( 0.1935484 0.4032258 0.0000000), wk = 0.0021186 k( 77) = ( 0.1827957 0.4086022 0.0000000), wk = 0.0021186 k( 78) = ( 0.1720430 0.4139785 -0.0000000), wk = 0.0021186 k( 79) = ( 0.1612903 0.4193548 0.0000000), wk = 0.0021186 k( 80) = ( 0.1505376 0.4247312 0.0000000), wk = 0.0021186 k( 81) = ( 0.1397849 0.4301075 0.0000000), wk = 0.0021186 k( 82) = ( 0.1290323 0.4354839 0.0000000), wk = 0.0021186 k( 83) = ( 0.1182796 0.4408602 -0.0000000), wk = 0.0021186 k( 84) = ( 0.1075269 0.4462366 0.0000000), wk = 0.0021186 k( 85) = ( 0.0967742 0.4516129 0.0000000), wk = 0.0021186 k( 86) = ( 0.0860215 0.4569893 0.0000000), wk = 0.0021186 k( 87) = ( 0.0752688 0.4623656 0.0000000), wk = 0.0021186 k( 88) = ( 0.0645161 0.4677419 0.0000000), wk = 0.0021186 k( 89) = ( 0.0537634 0.4731183 0.0000000), wk = 0.0021186 k( 90) = ( 0.0430108 0.4784946 0.0000000), wk = 0.0021186 k( 91) = ( 0.0322581 0.4838710 0.0000000), wk = 0.0021186 k( 92) = ( 0.0215054 0.4892473 0.0000000), wk = 0.0021186 k( 93) = ( 0.0107527 0.4946237 0.0000000), wk = 0.0021186 k( 94) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021186 k( 95) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021186 k( 96) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0021186 k( 97) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0021186 k( 98) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0021186 k( 99) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0021186 k( 100) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0021186 k( 101) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0021186 k( 102) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0021186 k( 103) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0021186 k( 104) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021186 k( 105) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0021186 k( 106) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0021186 k( 107) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0021186 k( 108) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0021186 k( 109) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0021186 k( 110) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0021186 k( 111) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0021186 k( 112) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0021186 k( 113) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021186 k( 114) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0021186 k( 115) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0021186 k( 116) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0021186 k( 117) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0021186 k( 118) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0021186 k( 119) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0021186 k( 120) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0021186 k( 121) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0021186 k( 122) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021186 k( 123) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021186 k( 124) = ( 0.0107527 0.4946237 0.5000000), wk = 0.0021186 k( 125) = ( 0.0215054 0.4892473 0.5000000), wk = 0.0021186 k( 126) = ( 0.0322581 0.4838710 0.5000000), wk = 0.0021186 k( 127) = ( 0.0430108 0.4784946 0.5000000), wk = 0.0021186 k( 128) = ( 0.0537634 0.4731183 0.5000000), wk = 0.0021186 k( 129) = ( 0.0645161 0.4677419 0.5000000), wk = 0.0021186 k( 130) = ( 0.0752688 0.4623656 0.5000000), wk = 0.0021186 k( 131) = ( 0.0860215 0.4569893 0.5000000), wk = 0.0021186 k( 132) = ( 0.0967742 0.4516129 0.5000000), wk = 0.0021186 k( 133) = ( 0.1075269 0.4462366 0.5000000), wk = 0.0021186 k( 134) = ( 0.1182796 0.4408602 0.5000000), wk = 0.0021186 k( 135) = ( 0.1290323 0.4354839 0.5000000), wk = 0.0021186 k( 136) = ( 0.1397849 0.4301075 0.5000000), wk = 0.0021186 k( 137) = ( 0.1505376 0.4247312 0.5000000), wk = 0.0021186 k( 138) = ( 0.1612903 0.4193548 0.5000000), wk = 0.0021186 k( 139) = ( 0.1720430 0.4139785 0.5000000), wk = 0.0021186 k( 140) = ( 0.1827957 0.4086022 0.5000000), wk = 0.0021186 k( 141) = ( 0.1935484 0.4032258 0.5000000), wk = 0.0021186 k( 142) = ( 0.2043011 0.3978495 0.5000000), wk = 0.0021186 k( 143) = ( 0.2150538 0.3924731 0.5000000), wk = 0.0021186 k( 144) = ( 0.2258064 0.3870968 0.5000000), wk = 0.0021186 k( 145) = ( 0.2365591 0.3817204 0.5000000), wk = 0.0021186 k( 146) = ( 0.2473118 0.3763441 0.5000000), wk = 0.0021186 k( 147) = ( 0.2580645 0.3709677 0.5000000), wk = 0.0021186 k( 148) = ( 0.2688172 0.3655914 0.5000000), wk = 0.0021186 k( 149) = ( 0.2795699 0.3602150 0.5000000), wk = 0.0021186 k( 150) = ( 0.2903226 0.3548387 0.5000000), wk = 0.0021186 k( 151) = ( 0.3010753 0.3494624 0.5000000), wk = 0.0021186 k( 152) = ( 0.3118280 0.3440860 0.5000000), wk = 0.0021186 k( 153) = ( 0.3225807 0.3387097 0.5000000), wk = 0.0021186 k( 154) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021186 k( 155) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021186 k( 156) = ( 0.3278688 0.3278689 0.5000000), wk = 0.0021186 k( 157) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0021186 k( 158) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0021186 k( 159) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0021186 k( 160) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0021186 k( 161) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0021186 k( 162) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0021186 k( 163) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0021186 k( 164) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0021186 k( 165) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0021186 k( 166) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0021186 k( 167) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0021186 k( 168) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0021186 k( 169) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0021186 k( 170) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0021186 k( 171) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0021186 k( 172) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0021186 k( 173) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0021186 k( 174) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0021186 k( 175) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0021186 k( 176) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0021186 k( 177) = ( 0.2131147 0.2131148 0.5000000), wk = 0.0021186 k( 178) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0021186 k( 179) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0021186 k( 180) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0021186 k( 181) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0021186 k( 182) = ( 0.1857923 0.1857924 0.5000000), wk = 0.0021186 k( 183) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0021186 k( 184) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0021186 k( 185) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0021186 k( 186) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0021186 k( 187) = ( 0.1584699 0.1584700 0.5000000), wk = 0.0021186 k( 188) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0021186 k( 189) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0021186 k( 190) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0021186 k( 191) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0021186 k( 192) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0021186 k( 193) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0021186 k( 194) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0021186 k( 195) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0021186 k( 196) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0021186 k( 197) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0021186 k( 198) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0021186 k( 199) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0021186 k( 200) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0021186 k( 201) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0021186 k( 202) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0021186 k( 203) = ( 0.0710382 0.0710382 0.5000000), wk = 0.0021186 k( 204) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0021186 k( 205) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0021186 k( 206) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0021186 k( 207) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0021186 k( 208) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0021186 k( 209) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0021186 k( 210) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0021186 k( 211) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0021186 k( 212) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0021186 k( 213) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0021186 k( 214) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0021186 k( 215) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0021186 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 218) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0021186 k( 219) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0021186 k( 220) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0021186 k( 221) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0021186 k( 222) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0021186 k( 223) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0021186 k( 224) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0021186 k( 225) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0021186 k( 226) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021186 k( 227) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0021186 k( 228) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0021186 k( 229) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0021186 k( 230) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0021186 k( 231) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0021186 k( 232) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0021186 k( 233) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0021186 k( 234) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0021186 k( 235) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021186 k( 236) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0021186 k( 237) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0021186 k( 238) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0021186 k( 239) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0021186 k( 240) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0021186 k( 241) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0021186 k( 242) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0021186 k( 243) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0021186 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 246) = ( -0.0094340 0.0094340 0.0000000), wk = 0.0021186 k( 247) = ( -0.0188679 0.0188679 0.0000000), wk = 0.0021186 k( 248) = ( -0.0283019 0.0283019 0.0000000), wk = 0.0021186 k( 249) = ( -0.0377359 0.0377359 0.0000000), wk = 0.0021186 k( 250) = ( -0.0471698 0.0471698 0.0000000), wk = 0.0021186 k( 251) = ( -0.0566038 0.0566038 0.0000000), wk = 0.0021186 k( 252) = ( -0.0660377 0.0660377 0.0000000), wk = 0.0021186 k( 253) = ( -0.0754717 0.0754717 0.0000000), wk = 0.0021186 k( 254) = ( -0.0849057 0.0849057 0.0000000), wk = 0.0021186 k( 255) = ( -0.0943396 0.0943396 0.0000000), wk = 0.0021186 k( 256) = ( -0.1037736 0.1037736 0.0000000), wk = 0.0021186 k( 257) = ( -0.1132076 0.1132076 0.0000000), wk = 0.0021186 k( 258) = ( -0.1226415 0.1226415 0.0000000), wk = 0.0021186 k( 259) = ( -0.1320755 0.1320755 0.0000000), wk = 0.0021186 k( 260) = ( -0.1415094 0.1415094 0.0000000), wk = 0.0021186 k( 261) = ( -0.1509434 0.1509434 0.0000000), wk = 0.0021186 k( 262) = ( -0.1603774 0.1603774 0.0000000), wk = 0.0021186 k( 263) = ( -0.1698113 0.1698113 0.0000000), wk = 0.0021186 k( 264) = ( -0.1792453 0.1792453 0.0000000), wk = 0.0021186 k( 265) = ( -0.1886792 0.1886793 0.0000000), wk = 0.0021186 k( 266) = ( -0.1981132 0.1981132 0.0000000), wk = 0.0021186 k( 267) = ( -0.2075472 0.2075472 0.0000000), wk = 0.0021186 k( 268) = ( -0.2169811 0.2169811 0.0000000), wk = 0.0021186 k( 269) = ( -0.2264151 0.2264151 0.0000000), wk = 0.0021186 k( 270) = ( -0.2358491 0.2358491 0.0000000), wk = 0.0021186 k( 271) = ( -0.2452830 0.2452830 0.0000000), wk = 0.0021186 k( 272) = ( -0.2547170 0.2547170 0.0000000), wk = 0.0021186 k( 273) = ( -0.2641509 0.2641509 0.0000000), wk = 0.0021186 k( 274) = ( -0.2735849 0.2735849 0.0000000), wk = 0.0021186 k( 275) = ( -0.2830189 0.2830189 0.0000000), wk = 0.0021186 k( 276) = ( -0.2924528 0.2924528 0.0000000), wk = 0.0021186 k( 277) = ( -0.3018868 0.3018868 0.0000000), wk = 0.0021186 k( 278) = ( -0.3113207 0.3113208 0.0000000), wk = 0.0021186 k( 279) = ( -0.3207547 0.3207547 0.0000000), wk = 0.0021186 k( 280) = ( -0.3301887 0.3301887 0.0000000), wk = 0.0021186 k( 281) = ( -0.3396226 0.3396226 0.0000000), wk = 0.0021186 k( 282) = ( -0.3490566 0.3490566 0.0000000), wk = 0.0021186 k( 283) = ( -0.3584906 0.3584906 0.0000000), wk = 0.0021186 k( 284) = ( -0.3679245 0.3679245 0.0000000), wk = 0.0021186 k( 285) = ( -0.3773585 0.3773585 0.0000000), wk = 0.0021186 k( 286) = ( -0.3867925 0.3867925 0.0000000), wk = 0.0021186 k( 287) = ( -0.3962264 0.3962264 0.0000000), wk = 0.0021186 k( 288) = ( -0.4056604 0.4056604 0.0000000), wk = 0.0021186 k( 289) = ( -0.4150943 0.4150943 0.0000000), wk = 0.0021186 k( 290) = ( -0.4245283 0.4245283 0.0000000), wk = 0.0021186 k( 291) = ( -0.4339623 0.4339623 0.0000000), wk = 0.0021186 k( 292) = ( -0.4433962 0.4433962 0.0000000), wk = 0.0021186 k( 293) = ( -0.4528302 0.4528302 0.0000000), wk = 0.0021186 k( 294) = ( -0.4622641 0.4622642 0.0000000), wk = 0.0021186 k( 295) = ( -0.4716981 0.4716981 0.0000000), wk = 0.0021186 k( 296) = ( -0.4811321 0.4811321 0.0000000), wk = 0.0021186 k( 297) = ( -0.4905660 0.4905660 0.0000000), wk = 0.0021186 k( 298) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 299) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 300) = ( -0.4946237 0.5053763 0.0000000), wk = 0.0021186 k( 301) = ( -0.4892473 0.5107527 0.0000000), wk = 0.0021186 k( 302) = ( -0.4838710 0.5161290 0.0000000), wk = 0.0021186 k( 303) = ( -0.4784946 0.5215054 0.0000000), wk = 0.0021186 k( 304) = ( -0.4731183 0.5268817 0.0000000), wk = 0.0021186 k( 305) = ( -0.4677419 0.5322581 0.0000000), wk = 0.0021186 k( 306) = ( -0.4623656 0.5376344 0.0000000), wk = 0.0021186 k( 307) = ( -0.4569893 0.5430108 0.0000000), wk = 0.0021186 k( 308) = ( -0.4516129 0.5483871 0.0000000), wk = 0.0021186 k( 309) = ( -0.4462366 0.5537634 0.0000000), wk = 0.0021186 k( 310) = ( -0.4408602 0.5591398 0.0000000), wk = 0.0021186 k( 311) = ( -0.4354839 0.5645161 0.0000000), wk = 0.0021186 k( 312) = ( -0.4301075 0.5698925 0.0000000), wk = 0.0021186 k( 313) = ( -0.4247312 0.5752688 0.0000000), wk = 0.0021186 k( 314) = ( -0.4193548 0.5806452 0.0000000), wk = 0.0021186 k( 315) = ( -0.4139785 0.5860215 0.0000000), wk = 0.0021186 k( 316) = ( -0.4086021 0.5913979 0.0000000), wk = 0.0021186 k( 317) = ( -0.4032258 0.5967742 0.0000000), wk = 0.0021186 k( 318) = ( -0.3978495 0.6021505 0.0000000), wk = 0.0021186 k( 319) = ( -0.3924731 0.6075269 0.0000000), wk = 0.0021186 k( 320) = ( -0.3870968 0.6129032 0.0000000), wk = 0.0021186 k( 321) = ( -0.3817204 0.6182796 0.0000000), wk = 0.0021186 k( 322) = ( -0.3763441 0.6236559 0.0000000), wk = 0.0021186 k( 323) = ( -0.3709677 0.6290323 0.0000000), wk = 0.0021186 k( 324) = ( -0.3655914 0.6344086 0.0000000), wk = 0.0021186 k( 325) = ( -0.3602150 0.6397850 0.0000000), wk = 0.0021186 k( 326) = ( -0.3548387 0.6451613 0.0000000), wk = 0.0021186 k( 327) = ( -0.3494624 0.6505376 0.0000000), wk = 0.0021186 k( 328) = ( -0.3440860 0.6559140 -0.0000000), wk = 0.0021186 k( 329) = ( -0.3387097 0.6612903 0.0000000), wk = 0.0021186 k( 330) = ( -0.3333333 0.6666667 0.0000000), wk = 0.0021186 k( 331) = ( -0.3333333 0.6666667 0.0000000), wk = 0.0021186 k( 332) = ( -0.3333333 0.6666667 0.0185185), wk = 0.0021186 k( 333) = ( -0.3333333 0.6666667 0.0370370), wk = 0.0021186 k( 334) = ( -0.3333333 0.6666667 0.0555556), wk = 0.0021186 k( 335) = ( -0.3333333 0.6666667 0.0740741), wk = 0.0021186 k( 336) = ( -0.3333333 0.6666667 0.0925926), wk = 0.0021186 k( 337) = ( -0.3333333 0.6666667 0.1111111), wk = 0.0021186 k( 338) = ( -0.3333333 0.6666667 0.1296296), wk = 0.0021186 k( 339) = ( -0.3333333 0.6666667 0.1481482), wk = 0.0021186 k( 340) = ( -0.3333333 0.6666667 0.1666667), wk = 0.0021186 k( 341) = ( -0.3333333 0.6666667 0.1851852), wk = 0.0021186 k( 342) = ( -0.3333333 0.6666667 0.2037037), wk = 0.0021186 k( 343) = ( -0.3333333 0.6666667 0.2222222), wk = 0.0021186 k( 344) = ( -0.3333333 0.6666667 0.2407407), wk = 0.0021186 k( 345) = ( -0.3333333 0.6666667 0.2592593), wk = 0.0021186 k( 346) = ( -0.3333333 0.6666667 0.2777778), wk = 0.0021186 k( 347) = ( -0.3333333 0.6666667 0.2962963), wk = 0.0021186 k( 348) = ( -0.3333333 0.6666667 0.3148148), wk = 0.0021186 k( 349) = ( -0.3333333 0.6666667 0.3333333), wk = 0.0021186 k( 350) = ( -0.3333333 0.6666667 0.3518519), wk = 0.0021186 k( 351) = ( -0.3333333 0.6666667 0.3703704), wk = 0.0021186 k( 352) = ( -0.3333333 0.6666667 0.3888889), wk = 0.0021186 k( 353) = ( -0.3333333 0.6666667 0.4074074), wk = 0.0021186 k( 354) = ( -0.3333333 0.6666667 0.4259259), wk = 0.0021186 k( 355) = ( -0.3333333 0.6666667 0.4444444), wk = 0.0021186 k( 356) = ( -0.3333333 0.6666667 0.4629630), wk = 0.0021186 k( 357) = ( -0.3333333 0.6666667 0.4814815), wk = 0.0021186 k( 358) = ( -0.3333333 0.6666667 0.5000000), wk = 0.0021186 k( 359) = ( -0.3333333 0.6666667 0.5000000), wk = 0.0021186 k( 360) = ( -0.3387097 0.6612903 0.5000000), wk = 0.0021186 k( 361) = ( -0.3440860 0.6559140 0.5000000), wk = 0.0021186 k( 362) = ( -0.3494624 0.6505376 0.5000000), wk = 0.0021186 k( 363) = ( -0.3548387 0.6451613 0.5000000), wk = 0.0021186 k( 364) = ( -0.3602150 0.6397850 0.5000000), wk = 0.0021186 k( 365) = ( -0.3655914 0.6344086 0.5000000), wk = 0.0021186 k( 366) = ( -0.3709677 0.6290323 0.5000000), wk = 0.0021186 k( 367) = ( -0.3763441 0.6236559 0.5000000), wk = 0.0021186 k( 368) = ( -0.3817204 0.6182796 0.5000000), wk = 0.0021186 k( 369) = ( -0.3870968 0.6129032 0.5000000), wk = 0.0021186 k( 370) = ( -0.3924731 0.6075269 0.5000000), wk = 0.0021186 k( 371) = ( -0.3978495 0.6021505 0.5000000), wk = 0.0021186 k( 372) = ( -0.4032258 0.5967742 0.5000000), wk = 0.0021186 k( 373) = ( -0.4086021 0.5913979 0.5000000), wk = 0.0021186 k( 374) = ( -0.4139785 0.5860215 0.5000000), wk = 0.0021186 k( 375) = ( -0.4193548 0.5806452 0.5000000), wk = 0.0021186 k( 376) = ( -0.4247312 0.5752688 0.5000000), wk = 0.0021186 k( 377) = ( -0.4301075 0.5698925 0.5000000), wk = 0.0021186 k( 378) = ( -0.4354839 0.5645161 0.5000000), wk = 0.0021186 k( 379) = ( -0.4408602 0.5591398 0.5000000), wk = 0.0021186 k( 380) = ( -0.4462366 0.5537634 0.5000000), wk = 0.0021186 k( 381) = ( -0.4516129 0.5483871 0.5000000), wk = 0.0021186 k( 382) = ( -0.4569893 0.5430108 0.5000000), wk = 0.0021186 k( 383) = ( -0.4623656 0.5376344 0.5000000), wk = 0.0021186 k( 384) = ( -0.4677419 0.5322581 0.5000000), wk = 0.0021186 k( 385) = ( -0.4731183 0.5268817 0.5000000), wk = 0.0021186 k( 386) = ( -0.4784946 0.5215054 0.5000000), wk = 0.0021186 k( 387) = ( -0.4838710 0.5161290 0.5000000), wk = 0.0021186 k( 388) = ( -0.4892473 0.5107527 0.5000000), wk = 0.0021186 k( 389) = ( -0.4946237 0.5053763 0.5000000), wk = 0.0021186 k( 390) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 391) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 392) = ( -0.5000000 0.5000000 0.4814815), wk = 0.0021186 k( 393) = ( -0.5000000 0.5000000 0.4629630), wk = 0.0021186 k( 394) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0021186 k( 395) = ( -0.5000000 0.5000000 0.4259259), wk = 0.0021186 k( 396) = ( -0.5000000 0.5000000 0.4074074), wk = 0.0021186 k( 397) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0021186 k( 398) = ( -0.5000000 0.5000000 0.3703704), wk = 0.0021186 k( 399) = ( -0.5000000 0.5000000 0.3518519), wk = 0.0021186 k( 400) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0021186 k( 401) = ( -0.5000000 0.5000000 0.3148148), wk = 0.0021186 k( 402) = ( -0.5000000 0.5000000 0.2962963), wk = 0.0021186 k( 403) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0021186 k( 404) = ( -0.5000000 0.5000000 0.2592593), wk = 0.0021186 k( 405) = ( -0.5000000 0.5000000 0.2407407), wk = 0.0021186 k( 406) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0021186 k( 407) = ( -0.5000000 0.5000000 0.2037037), wk = 0.0021186 k( 408) = ( -0.5000000 0.5000000 0.1851852), wk = 0.0021186 k( 409) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0021186 k( 410) = ( -0.5000000 0.5000000 0.1481482), wk = 0.0021186 k( 411) = ( -0.5000000 0.5000000 0.1296296), wk = 0.0021186 k( 412) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0021186 k( 413) = ( -0.5000000 0.5000000 0.0925926), wk = 0.0021186 k( 414) = ( -0.5000000 0.5000000 0.0740741), wk = 0.0021186 k( 415) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0021186 k( 416) = ( -0.5000000 0.5000000 0.0370370), wk = 0.0021186 k( 417) = ( -0.5000000 0.5000000 0.0185185), wk = 0.0021186 k( 418) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 419) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 420) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0021186 k( 421) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0021186 k( 422) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0021186 k( 423) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0021186 k( 424) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0021186 k( 425) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0021186 k( 426) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0021186 k( 427) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0021186 k( 428) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0021186 k( 429) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0021186 k( 430) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0021186 k( 431) = ( -0.1132076 0.1132076 0.5000000), wk = 0.0021186 k( 432) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0021186 k( 433) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0021186 k( 434) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0021186 k( 435) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0021186 k( 436) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0021186 k( 437) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0021186 k( 438) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0021186 k( 439) = ( -0.1886792 0.1886793 0.5000000), wk = 0.0021186 k( 440) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0021186 k( 441) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0021186 k( 442) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0021186 k( 443) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0021186 k( 444) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0021186 k( 445) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0021186 k( 446) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0021186 k( 447) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0021186 k( 448) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0021186 k( 449) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0021186 k( 450) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0021186 k( 451) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0021186 k( 452) = ( -0.3113207 0.3113208 0.5000000), wk = 0.0021186 k( 453) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0021186 k( 454) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0021186 k( 455) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0021186 k( 456) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0021186 k( 457) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0021186 k( 458) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0021186 k( 459) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0021186 k( 460) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0021186 k( 461) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0021186 k( 462) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0021186 k( 463) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0021186 k( 464) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0021186 k( 465) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0021186 k( 466) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0021186 k( 467) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0021186 k( 468) = ( -0.4622641 0.4622642 0.5000000), wk = 0.0021186 k( 469) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0021186 k( 470) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0021186 k( 471) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0021186 k( 472) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021186 Dense grid: 25477 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 17417 G-vectors FFT dimensions: ( 30, 30, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 100, 36) NL pseudopotentials 0.10 Mb ( 50, 136) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 528) G-vector shells 0.00 Mb ( 261) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 100, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.15 Mb ( 136, 2, 36) The potential is recalculated from file : ./FeS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.7 secs Computing kpt #: 3 total cpu time spent up to now is 42.4 secs Computing kpt #: 4 total cpu time spent up to now is 43.0 secs Computing kpt #: 5 total cpu time spent up to now is 43.7 secs Computing kpt #: 6 total cpu time spent up to now is 44.3 secs Computing kpt #: 7 total cpu time spent up to now is 44.9 secs Computing kpt #: 8 total cpu time spent up to now is 45.6 secs Computing kpt #: 9 total cpu time spent up to now is 46.3 secs Computing kpt #: 10 total cpu time spent up to now is 46.9 secs Computing kpt #: 11 total cpu time spent up to now is 47.6 secs Computing kpt #: 12 total cpu time spent up to now is 48.3 secs Computing kpt #: 13 total cpu time spent up to now is 48.9 secs Computing kpt #: 14 total cpu time spent up to now is 49.4 secs Computing kpt #: 15 total cpu time spent up to now is 50.0 secs Computing kpt #: 16 total cpu time spent up to now is 50.7 secs Computing kpt #: 17 total cpu time spent up to now is 51.4 secs Computing kpt #: 18 total cpu time spent up to now is 52.1 secs Computing kpt #: 19 total cpu time spent up to now is 52.7 secs Computing kpt #: 20 total cpu time spent up to now is 53.3 secs Computing kpt #: 21 total cpu time spent up to now is 54.0 secs Computing kpt #: 22 total cpu time spent up to now is 54.7 secs Computing kpt #: 23 total cpu time spent up to now is 55.3 secs Computing kpt #: 24 total cpu time spent up to now is 55.9 secs Computing kpt #: 25 total cpu time spent up to now is 56.5 secs Computing kpt #: 26 total cpu time spent up to now is 57.1 secs Computing kpt #: 27 total cpu time spent up to now is 57.7 secs Computing kpt #: 28 total cpu time spent up to now is 58.4 secs Computing kpt #: 29 total cpu time spent up to now is 59.0 secs Computing kpt #: 30 total cpu time spent up to now is 59.5 secs Computing kpt #: 31 total cpu time spent up to now is 60.1 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 61.3 secs Computing kpt #: 34 total cpu time spent up to now is 61.8 secs Computing kpt #: 35 total cpu time spent up to now is 62.4 secs Computing kpt #: 36 total cpu time spent up to now is 63.1 secs Computing kpt #: 37 total cpu time spent up to now is 63.7 secs Computing kpt #: 38 total cpu time spent up to now is 64.3 secs Computing kpt #: 39 total cpu time spent up to now is 65.3 secs Computing kpt #: 40 total cpu time spent up to now is 65.8 secs Computing kpt #: 41 total cpu time spent up to now is 66.4 secs Computing kpt #: 42 total cpu time spent up to now is 67.0 secs Computing kpt #: 43 total cpu time spent up to now is 67.6 secs Computing kpt #: 44 total cpu time spent up to now is 68.2 secs Computing kpt #: 45 total cpu time spent up to now is 68.8 secs Computing kpt #: 46 total cpu time spent up to now is 69.5 secs Computing kpt #: 47 total cpu time spent up to now is 70.1 secs Computing kpt #: 48 total cpu time spent up to now is 70.7 secs Computing kpt #: 49 total cpu time spent up to now is 71.3 secs Computing kpt #: 50 total cpu time spent up to now is 71.9 secs Computing kpt #: 51 total cpu time spent up to now is 72.5 secs Computing kpt #: 52 total cpu time spent up to now is 73.1 secs Computing kpt #: 53 total cpu time spent up to now is 73.7 secs Computing kpt #: 54 total cpu time spent up to now is 74.3 secs Computing kpt #: 55 total cpu time spent up to now is 75.0 secs Computing kpt #: 56 total cpu time spent up to now is 75.6 secs Computing kpt #: 57 total cpu time spent up to now is 76.3 secs Computing kpt #: 58 total cpu time spent up to now is 76.9 secs Computing kpt #: 59 total cpu time spent up to now is 77.5 secs Computing kpt #: 60 total cpu time spent up to now is 78.1 secs Computing kpt #: 61 total cpu time spent up to now is 78.7 secs Computing kpt #: 62 total cpu time spent up to now is 79.3 secs Computing kpt #: 63 total cpu time spent up to now is 80.0 secs Computing kpt #: 64 total cpu time spent up to now is 80.6 secs Computing kpt #: 65 total cpu time spent up to now is 81.3 secs Computing kpt #: 66 total cpu time spent up to now is 82.0 secs Computing kpt #: 67 total cpu time spent up to now is 82.8 secs Computing kpt #: 68 total cpu time spent up to now is 83.7 secs Computing kpt #: 69 total cpu time spent up to now is 84.4 secs Computing kpt #: 70 total cpu time spent up to now is 85.0 secs Computing kpt #: 71 total cpu time spent up to now is 85.7 secs Computing kpt #: 72 total cpu time spent up to now is 86.5 secs Computing kpt #: 73 total cpu time spent up to now is 87.2 secs Computing kpt #: 74 total cpu time spent up to now is 87.9 secs Computing kpt #: 75 total cpu time spent up to now is 88.6 secs Computing kpt #: 76 total cpu time spent up to now is 89.2 secs Computing kpt #: 77 total cpu time spent up to now is 89.9 secs Computing kpt #: 78 total cpu time spent up to now is 90.6 secs Computing kpt #: 79 total cpu time spent up to now is 91.2 secs Computing kpt #: 80 total cpu time spent up to now is 91.9 secs Computing kpt #: 81 total cpu time spent up to now is 92.7 secs Computing kpt #: 82 total cpu time spent up to now is 93.5 secs Computing kpt #: 83 total cpu time spent up to now is 94.2 secs Computing kpt #: 84 total cpu time spent up to now is 94.9 secs Computing kpt #: 85 total cpu time spent up to now is 95.6 secs Computing kpt #: 86 total cpu time spent up to now is 96.3 secs Computing kpt #: 87 total cpu time spent up to now is 97.0 secs Computing kpt #: 88 total cpu time spent up to now is 97.7 secs Computing kpt #: 89 total cpu time spent up to now is 98.4 secs Computing kpt #: 90 total cpu time spent up to now is 99.2 secs Computing kpt #: 91 total cpu time spent up to now is 99.9 secs Computing kpt #: 92 total cpu time spent up to now is 100.6 secs Computing kpt #: 93 total cpu time spent up to now is 101.2 secs Computing kpt #: 94 total cpu time spent up to now is 101.9 secs Computing kpt #: 95 total cpu time spent up to now is 102.5 secs Computing kpt #: 96 total cpu time spent up to now is 103.2 secs Computing kpt #: 97 total cpu time spent up to now is 103.9 secs Computing kpt #: 98 total cpu time spent up to now is 104.6 secs Computing kpt #: 99 total cpu time spent up to now is 105.2 secs Computing kpt #: 100 total cpu time spent up to now is 105.9 secs Computing kpt #: 101 total cpu time spent up to now is 106.6 secs Computing kpt #: 102 total cpu time spent up to now is 107.3 secs Computing kpt #: 103 total cpu time spent up to now is 108.0 secs Computing kpt #: 104 total cpu time spent up to now is 108.7 secs Computing kpt #: 105 total cpu time spent up to now is 109.4 secs Computing kpt #: 106 total cpu time spent up to now is 110.1 secs Computing kpt #: 107 total cpu time spent up to now is 111.0 secs Computing kpt #: 108 total cpu time spent up to now is 111.7 secs Computing kpt #: 109 total cpu time spent up to now is 112.4 secs Computing kpt #: 110 total cpu time spent up to now is 113.2 secs Computing kpt #: 111 total cpu time spent up to now is 113.9 secs Computing kpt #: 112 total cpu time spent up to now is 114.6 secs Computing kpt #: 113 total cpu time spent up to now is 115.3 secs Computing kpt #: 114 total cpu time spent up to now is 116.0 secs Computing kpt #: 115 total cpu time spent up to now is 116.7 secs Computing kpt #: 116 total cpu time spent up to now is 117.4 secs Computing kpt #: 117 total cpu time spent up to now is 118.0 secs Computing kpt #: 118 total cpu time spent up to now is 118.6 secs Computing kpt #: 119 total cpu time spent up to now is 119.2 secs Computing kpt #: 120 total cpu time spent up to now is 119.9 secs Computing kpt #: 121 total cpu time spent up to now is 120.5 secs Computing kpt #: 122 total cpu time spent up to now is 121.1 secs Computing kpt #: 123 total cpu time spent up to now is 121.7 secs Computing kpt #: 124 total cpu time spent up to now is 122.4 secs Computing kpt #: 125 total cpu time spent up to now is 123.0 secs Computing kpt #: 126 total cpu time spent up to now is 123.7 secs Computing kpt #: 127 total cpu time spent up to now is 124.3 secs Computing kpt #: 128 total cpu time spent up to now is 124.9 secs Computing kpt #: 129 total cpu time spent up to now is 125.5 secs Computing kpt #: 130 total cpu time spent up to now is 126.1 secs Computing kpt #: 131 total cpu time spent up to now is 126.8 secs Computing kpt #: 132 total cpu time spent up to now is 127.4 secs Computing kpt #: 133 total cpu time spent up to now is 128.0 secs Computing kpt #: 134 total cpu time spent up to now is 128.6 secs Computing kpt #: 135 total cpu time spent up to now is 129.2 secs Computing kpt #: 136 total cpu time spent up to now is 129.8 secs Computing kpt #: 137 total cpu time spent up to now is 130.4 secs Computing kpt #: 138 total cpu time spent up to now is 131.0 secs Computing kpt #: 139 total cpu time spent up to now is 131.6 secs Computing kpt #: 140 total cpu time spent up to now is 132.2 secs Computing kpt #: 141 total cpu time spent up to now is 132.8 secs Computing kpt #: 142 total cpu time spent up to now is 133.4 secs Computing kpt #: 143 total cpu time spent up to now is 134.1 secs Computing kpt #: 144 total cpu time spent up to now is 134.7 secs Computing kpt #: 145 total cpu time spent up to now is 135.3 secs Computing kpt #: 146 total cpu time spent up to now is 136.0 secs Computing kpt #: 147 total cpu time spent up to now is 136.5 secs Computing kpt #: 148 total cpu time spent up to now is 137.1 secs Computing kpt #: 149 total cpu time spent up to now is 137.7 secs Computing kpt #: 150 total cpu time spent up to now is 138.3 secs Computing kpt #: 151 total cpu time spent up to now is 138.8 secs Computing kpt #: 152 total cpu time spent up to now is 139.4 secs Computing kpt #: 153 total cpu time spent up to now is 139.9 secs Computing kpt #: 154 total cpu time spent up to now is 140.5 secs Computing kpt #: 155 total cpu time spent up to now is 141.1 secs Computing kpt #: 156 total cpu time spent up to now is 142.0 secs Computing kpt #: 157 total cpu time spent up to now is 142.6 secs Computing kpt #: 158 total cpu time spent up to now is 143.2 secs Computing kpt #: 159 total cpu time spent up to now is 143.8 secs Computing kpt #: 160 total cpu time spent up to now is 144.4 secs Computing kpt #: 161 total cpu time spent up to now is 145.0 secs Computing kpt #: 162 total cpu time spent up to now is 145.8 secs Computing kpt #: 163 total cpu time spent up to now is 146.4 secs Computing kpt #: 164 total cpu time spent up to now is 147.0 secs Computing kpt #: 165 total cpu time spent up to now is 147.7 secs Computing kpt #: 166 total cpu time spent up to now is 148.3 secs Computing kpt #: 167 total cpu time spent up to now is 148.9 secs Computing kpt #: 168 total cpu time spent up to now is 149.5 secs Computing kpt #: 169 total cpu time spent up to now is 150.0 secs Computing kpt #: 170 total cpu time spent up to now is 150.6 secs Computing kpt #: 171 total cpu time spent up to now is 151.2 secs Computing kpt #: 172 total cpu time spent up to now is 151.8 secs Computing kpt #: 173 total cpu time spent up to now is 152.4 secs Computing kpt #: 174 total cpu time spent up to now is 153.1 secs Computing kpt #: 175 total cpu time spent up to now is 153.9 secs Computing kpt #: 176 total cpu time spent up to now is 154.5 secs Computing kpt #: 177 total cpu time spent up to now is 155.1 secs Computing kpt #: 178 total cpu time spent up to now is 155.7 secs Computing kpt #: 179 total cpu time spent up to now is 156.3 secs Computing kpt #: 180 total cpu time spent up to now is 156.8 secs Computing kpt #: 181 total cpu time spent up to now is 157.4 secs Computing kpt #: 182 total cpu time spent up to now is 158.0 secs Computing kpt #: 183 total cpu time spent up to now is 158.7 secs Computing kpt #: 184 total cpu time spent up to now is 159.3 secs Computing kpt #: 185 total cpu time spent up to now is 159.9 secs Computing kpt #: 186 total cpu time spent up to now is 160.4 secs Computing kpt #: 187 total cpu time spent up to now is 161.0 secs Computing kpt #: 188 total cpu time spent up to now is 161.6 secs Computing kpt #: 189 total cpu time spent up to now is 162.1 secs Computing kpt #: 190 total cpu time spent up to now is 162.7 secs Computing kpt #: 191 total cpu time spent up to now is 163.2 secs Computing kpt #: 192 total cpu time spent up to now is 163.8 secs Computing kpt #: 193 total cpu time spent up to now is 164.4 secs Computing kpt #: 194 total cpu time spent up to now is 165.0 secs Computing kpt #: 195 total cpu time spent up to now is 165.6 secs Computing kpt #: 196 total cpu time spent up to now is 166.2 secs Computing kpt #: 197 total cpu time spent up to now is 166.8 secs Computing kpt #: 198 total cpu time spent up to now is 167.3 secs Computing kpt #: 199 total cpu time spent up to now is 167.9 secs Computing kpt #: 200 total cpu time spent up to now is 168.4 secs Computing kpt #: 201 total cpu time spent up to now is 169.0 secs Computing kpt #: 202 total cpu time spent up to now is 169.5 secs Computing kpt #: 203 total cpu time spent up to now is 170.1 secs Computing kpt #: 204 total cpu time spent up to now is 170.7 secs Computing kpt #: 205 total cpu time spent up to now is 171.3 secs Computing kpt #: 206 total cpu time spent up to now is 171.8 secs Computing kpt #: 207 total cpu time spent up to now is 172.4 secs Computing kpt #: 208 total cpu time spent up to now is 173.0 secs Computing kpt #: 209 total cpu time spent up to now is 173.5 secs Computing kpt #: 210 total cpu time spent up to now is 174.1 secs Computing kpt #: 211 total cpu time spent up to now is 174.7 secs Computing kpt #: 212 total cpu time spent up to now is 175.2 secs Computing kpt #: 213 total cpu time spent up to now is 175.8 secs Computing kpt #: 214 total cpu time spent up to now is 176.3 secs Computing kpt #: 215 total cpu time spent up to now is 177.1 secs Computing kpt #: 216 total cpu time spent up to now is 177.7 secs Computing kpt #: 217 total cpu time spent up to now is 178.2 secs Computing kpt #: 218 total cpu time spent up to now is 178.8 secs Computing kpt #: 219 total cpu time spent up to now is 179.3 secs Computing kpt #: 220 total cpu time spent up to now is 179.9 secs Computing kpt #: 221 total cpu time spent up to now is 180.4 secs Computing kpt #: 222 total cpu time spent up to now is 181.0 secs Computing kpt #: 223 total cpu time spent up to now is 181.6 secs Computing kpt #: 224 total cpu time spent up to now is 182.2 secs Computing kpt #: 225 total cpu time spent up to now is 182.8 secs Computing kpt #: 226 total cpu time spent up to now is 183.4 secs Computing kpt #: 227 total cpu time spent up to now is 184.1 secs Computing kpt #: 228 total cpu time spent up to now is 184.7 secs Computing kpt #: 229 total cpu time spent up to now is 185.2 secs Computing kpt #: 230 total cpu time spent up to now is 185.8 secs Computing kpt #: 231 total cpu time spent up to now is 186.4 secs Computing kpt #: 232 total cpu time spent up to now is 186.9 secs Computing kpt #: 233 total cpu time spent up to now is 187.5 secs Computing kpt #: 234 total cpu time spent up to now is 188.1 secs Computing kpt #: 235 total cpu time spent up to now is 188.9 secs Computing kpt #: 236 total cpu time spent up to now is 189.6 secs Computing kpt #: 237 total cpu time spent up to now is 190.6 secs Computing kpt #: 238 total cpu time spent up to now is 191.3 secs Computing kpt #: 239 total cpu time spent up to now is 192.1 secs Computing kpt #: 240 total cpu time spent up to now is 192.9 secs Computing kpt #: 241 total cpu time spent up to now is 193.5 secs Computing kpt #: 242 total cpu time spent up to now is 194.0 secs Computing kpt #: 243 total cpu time spent up to now is 194.6 secs Computing kpt #: 244 total cpu time spent up to now is 195.2 secs Computing kpt #: 245 total cpu time spent up to now is 195.8 secs Computing kpt #: 246 total cpu time spent up to now is 196.5 secs Computing kpt #: 247 total cpu time spent up to now is 197.0 secs Computing kpt #: 248 total cpu time spent up to now is 197.7 secs Computing kpt #: 249 total cpu time spent up to now is 198.3 secs Computing kpt #: 250 total cpu time spent up to now is 199.0 secs Computing kpt #: 251 total cpu time spent up to now is 199.6 secs Computing kpt #: 252 total cpu time spent up to now is 200.3 secs Computing kpt #: 253 total cpu time spent up to now is 201.0 secs Computing kpt #: 254 total cpu time spent up to now is 201.7 secs Computing kpt #: 255 total cpu time spent up to now is 202.3 secs Computing kpt #: 256 total cpu time spent up to now is 203.0 secs Computing kpt #: 257 total cpu time spent up to now is 203.6 secs Computing kpt #: 258 total cpu time spent up to now is 204.2 secs Computing kpt #: 259 total cpu time spent up to now is 204.8 secs Computing kpt #: 260 total cpu time spent up to now is 205.4 secs Computing kpt #: 261 total cpu time spent up to now is 206.1 secs Computing kpt #: 262 total cpu time spent up to now is 206.8 secs Computing kpt #: 263 total cpu time spent up to now is 207.4 secs Computing kpt #: 264 total cpu time spent up to now is 208.0 secs Computing kpt #: 265 total cpu time spent up to now is 208.6 secs Computing kpt #: 266 total cpu time spent up to now is 209.2 secs Computing kpt #: 267 total cpu time spent up to now is 209.8 secs Computing kpt #: 268 total cpu time spent up to now is 210.4 secs Computing kpt #: 269 total cpu time spent up to now is 210.9 secs Computing kpt #: 270 total cpu time spent up to now is 211.5 secs Computing kpt #: 271 total cpu time spent up to now is 212.1 secs Computing kpt #: 272 total cpu time spent up to now is 212.7 secs Computing kpt #: 273 total cpu time spent up to now is 213.3 secs Computing kpt #: 274 total cpu time spent up to now is 214.0 secs Computing kpt #: 275 total cpu time spent up to now is 214.5 secs Computing kpt #: 276 total cpu time spent up to now is 215.1 secs Computing kpt #: 277 total cpu time spent up to now is 215.7 secs Computing kpt #: 278 total cpu time spent up to now is 216.3 secs Computing kpt #: 279 total cpu time spent up to now is 216.9 secs Computing kpt #: 280 total cpu time spent up to now is 217.5 secs Computing kpt #: 281 total cpu time spent up to now is 218.1 secs Computing kpt #: 282 total cpu time spent up to now is 218.8 secs Computing kpt #: 283 total cpu time spent up to now is 219.4 secs Computing kpt #: 284 total cpu time spent up to now is 220.0 secs Computing kpt #: 285 total cpu time spent up to now is 220.6 secs Computing kpt #: 286 total cpu time spent up to now is 221.2 secs Computing kpt #: 287 total cpu time spent up to now is 221.9 secs Computing kpt #: 288 total cpu time spent up to now is 222.5 secs Computing kpt #: 289 total cpu time spent up to now is 223.1 secs Computing kpt #: 290 total cpu time spent up to now is 223.7 secs Computing kpt #: 291 total cpu time spent up to now is 224.4 secs Computing kpt #: 292 total cpu time spent up to now is 225.0 secs Computing kpt #: 293 total cpu time spent up to now is 225.6 secs Computing kpt #: 294 total cpu time spent up to now is 226.3 secs Computing kpt #: 295 total cpu time spent up to now is 227.0 secs Computing kpt #: 296 total cpu time spent up to now is 227.6 secs Computing kpt #: 297 total cpu time spent up to now is 228.3 secs Computing kpt #: 298 total cpu time spent up to now is 228.9 secs Computing kpt #: 299 total cpu time spent up to now is 229.6 secs Computing kpt #: 300 total cpu time spent up to now is 230.2 secs Computing kpt #: 301 total cpu time spent up to now is 230.8 secs Computing kpt #: 302 total cpu time spent up to now is 231.5 secs Computing kpt #: 303 total cpu time spent up to now is 232.2 secs Computing kpt #: 304 total cpu time spent up to now is 232.8 secs Computing kpt #: 305 total cpu time spent up to now is 233.4 secs Computing kpt #: 306 total cpu time spent up to now is 234.0 secs Computing kpt #: 307 total cpu time spent up to now is 234.6 secs Computing kpt #: 308 total cpu time spent up to now is 235.2 secs Computing kpt #: 309 total cpu time spent up to now is 235.8 secs Computing kpt #: 310 total cpu time spent up to now is 236.7 secs Computing kpt #: 311 total cpu time spent up to now is 237.5 secs Computing kpt #: 312 total cpu time spent up to now is 238.2 secs Computing kpt #: 313 total cpu time spent up to now is 238.8 secs Computing kpt #: 314 total cpu time spent up to now is 239.4 secs Computing kpt #: 315 total cpu time spent up to now is 240.0 secs Computing kpt #: 316 total cpu time spent up to now is 240.6 secs Computing kpt #: 317 total cpu time spent up to now is 241.2 secs Computing kpt #: 318 total cpu time spent up to now is 241.8 secs Computing kpt #: 319 total cpu time spent up to now is 242.4 secs Computing kpt #: 320 total cpu time spent up to now is 243.1 secs Computing kpt #: 321 total cpu time spent up to now is 243.7 secs Computing kpt #: 322 total cpu time spent up to now is 244.3 secs Computing kpt #: 323 total cpu time spent up to now is 244.9 secs Computing kpt #: 324 total cpu time spent up to now is 245.5 secs Computing kpt #: 325 total cpu time spent up to now is 246.1 secs Computing kpt #: 326 total cpu time spent up to now is 246.7 secs Computing kpt #: 327 total cpu time spent up to now is 247.3 secs Computing kpt #: 328 total cpu time spent up to now is 247.9 secs Computing kpt #: 329 total cpu time spent up to now is 248.6 secs Computing kpt #: 330 total cpu time spent up to now is 249.4 secs Computing kpt #: 331 total cpu time spent up to now is 250.0 secs Computing kpt #: 332 total cpu time spent up to now is 250.7 secs Computing kpt #: 333 total cpu time spent up to now is 251.3 secs Computing kpt #: 334 total cpu time spent up to now is 251.9 secs Computing kpt #: 335 total cpu time spent up to now is 252.5 secs Computing kpt #: 336 total cpu time spent up to now is 253.1 secs Computing kpt #: 337 total cpu time spent up to now is 253.7 secs Computing kpt #: 338 total cpu time spent up to now is 254.4 secs Computing kpt #: 339 total cpu time spent up to now is 255.1 secs Computing kpt #: 340 total cpu time spent up to now is 255.7 secs Computing kpt #: 341 total cpu time spent up to now is 256.3 secs Computing kpt #: 342 total cpu time spent up to now is 256.9 secs Computing kpt #: 343 total cpu time spent up to now is 257.4 secs Computing kpt #: 344 total cpu time spent up to now is 258.0 secs Computing kpt #: 345 total cpu time spent up to now is 258.6 secs Computing kpt #: 346 total cpu time spent up to now is 259.2 secs Computing kpt #: 347 total cpu time spent up to now is 259.8 secs Computing kpt #: 348 total cpu time spent up to now is 260.4 secs Computing kpt #: 349 total cpu time spent up to now is 261.1 secs Computing kpt #: 350 total cpu time spent up to now is 261.7 secs Computing kpt #: 351 total cpu time spent up to now is 262.3 secs Computing kpt #: 352 total cpu time spent up to now is 262.9 secs Computing kpt #: 353 total cpu time spent up to now is 263.5 secs Computing kpt #: 354 total cpu time spent up to now is 264.1 secs Computing kpt #: 355 total cpu time spent up to now is 264.7 secs Computing kpt #: 356 total cpu time spent up to now is 265.2 secs Computing kpt #: 357 total cpu time spent up to now is 265.8 secs Computing kpt #: 358 total cpu time spent up to now is 266.4 secs Computing kpt #: 359 total cpu time spent up to now is 267.0 secs Computing kpt #: 360 total cpu time spent up to now is 267.6 secs Computing kpt #: 361 total cpu time spent up to now is 268.2 secs Computing kpt #: 362 total cpu time spent up to now is 268.8 secs Computing kpt #: 363 total cpu time spent up to now is 269.3 secs Computing kpt #: 364 total cpu time spent up to now is 269.9 secs Computing kpt #: 365 total cpu time spent up to now is 270.5 secs Computing kpt #: 366 total cpu time spent up to now is 271.1 secs Computing kpt #: 367 total cpu time spent up to now is 271.6 secs Computing kpt #: 368 total cpu time spent up to now is 272.3 secs Computing kpt #: 369 total cpu time spent up to now is 272.9 secs Computing kpt #: 370 total cpu time spent up to now is 273.6 secs Computing kpt #: 371 total cpu time spent up to now is 274.2 secs Computing kpt #: 372 total cpu time spent up to now is 274.8 secs Computing kpt #: 373 total cpu time spent up to now is 275.4 secs Computing kpt #: 374 total cpu time spent up to now is 276.1 secs Computing kpt #: 375 total cpu time spent up to now is 276.8 secs Computing kpt #: 376 total cpu time spent up to now is 277.4 secs Computing kpt #: 377 total cpu time spent up to now is 278.1 secs Computing kpt #: 378 total cpu time spent up to now is 278.9 secs Computing kpt #: 379 total cpu time spent up to now is 279.5 secs Computing kpt #: 380 total cpu time spent up to now is 280.1 secs Computing kpt #: 381 total cpu time spent up to now is 280.7 secs Computing kpt #: 382 total cpu time spent up to now is 281.4 secs Computing kpt #: 383 total cpu time spent up to now is 282.1 secs Computing kpt #: 384 total cpu time spent up to now is 282.7 secs Computing kpt #: 385 total cpu time spent up to now is 283.3 secs Computing kpt #: 386 total cpu time spent up to now is 284.0 secs Computing kpt #: 387 total cpu time spent up to now is 284.7 secs Computing kpt #: 388 total cpu time spent up to now is 285.5 secs Computing kpt #: 389 total cpu time spent up to now is 286.2 secs Computing kpt #: 390 total cpu time spent up to now is 286.8 secs Computing kpt #: 391 total cpu time spent up to now is 287.5 secs Computing kpt #: 392 total cpu time spent up to now is 288.2 secs Computing kpt #: 393 total cpu time spent up to now is 288.8 secs Computing kpt #: 394 total cpu time spent up to now is 289.5 secs Computing kpt #: 395 total cpu time spent up to now is 290.2 secs Computing kpt #: 396 total cpu time spent up to now is 290.9 secs Computing kpt #: 397 total cpu time spent up to now is 291.6 secs Computing kpt #: 398 total cpu time spent up to now is 292.3 secs Computing kpt #: 399 total cpu time spent up to now is 293.0 secs Computing kpt #: 400 total cpu time spent up to now is 293.7 secs Computing kpt #: 401 total cpu time spent up to now is 294.4 secs Computing kpt #: 402 total cpu time spent up to now is 295.1 secs Computing kpt #: 403 total cpu time spent up to now is 295.8 secs Computing kpt #: 404 total cpu time spent up to now is 296.5 secs Computing kpt #: 405 total cpu time spent up to now is 297.3 secs Computing kpt #: 406 total cpu time spent up to now is 298.0 secs Computing kpt #: 407 total cpu time spent up to now is 298.7 secs Computing kpt #: 408 total cpu time spent up to now is 299.4 secs Computing kpt #: 409 total cpu time spent up to now is 300.0 secs Computing kpt #: 410 total cpu time spent up to now is 300.7 secs Computing kpt #: 411 total cpu time spent up to now is 301.3 secs Computing kpt #: 412 total cpu time spent up to now is 302.0 secs Computing kpt #: 413 total cpu time spent up to now is 302.7 secs Computing kpt #: 414 total cpu time spent up to now is 303.5 secs Computing kpt #: 415 total cpu time spent up to now is 304.3 secs Computing kpt #: 416 total cpu time spent up to now is 304.9 secs Computing kpt #: 417 total cpu time spent up to now is 305.6 secs Computing kpt #: 418 total cpu time spent up to now is 306.2 secs Computing kpt #: 419 total cpu time spent up to now is 306.7 secs Computing kpt #: 420 total cpu time spent up to now is 307.3 secs Computing kpt #: 421 total cpu time spent up to now is 307.8 secs Computing kpt #: 422 total cpu time spent up to now is 308.4 secs Computing kpt #: 423 total cpu time spent up to now is 309.0 secs Computing kpt #: 424 total cpu time spent up to now is 309.6 secs Computing kpt #: 425 total cpu time spent up to now is 310.2 secs Computing kpt #: 426 total cpu time spent up to now is 310.8 secs Computing kpt #: 427 total cpu time spent up to now is 311.4 secs Computing kpt #: 428 total cpu time spent up to now is 312.0 secs Computing kpt #: 429 total cpu time spent up to now is 312.5 secs Computing kpt #: 430 total cpu time spent up to now is 313.1 secs Computing kpt #: 431 total cpu time spent up to now is 313.6 secs Computing kpt #: 432 total cpu time spent up to now is 314.2 secs Computing kpt #: 433 total cpu time spent up to now is 314.8 secs Computing kpt #: 434 total cpu time spent up to now is 315.4 secs Computing kpt #: 435 total cpu time spent up to now is 316.0 secs Computing kpt #: 436 total cpu time spent up to now is 316.6 secs Computing kpt #: 437 total cpu time spent up to now is 317.2 secs Computing kpt #: 438 total cpu time spent up to now is 317.7 secs Computing kpt #: 439 total cpu time spent up to now is 318.3 secs Computing kpt #: 440 total cpu time spent up to now is 318.8 secs Computing kpt #: 441 total cpu time spent up to now is 319.4 secs Computing kpt #: 442 total cpu time spent up to now is 319.9 secs Computing kpt #: 443 total cpu time spent up to now is 320.6 secs Computing kpt #: 444 total cpu time spent up to now is 321.2 secs Computing kpt #: 445 total cpu time spent up to now is 321.8 secs Computing kpt #: 446 total cpu time spent up to now is 322.4 secs Computing kpt #: 447 total cpu time spent up to now is 323.0 secs Computing kpt #: 448 total cpu time spent up to now is 323.6 secs Computing kpt #: 449 total cpu time spent up to now is 324.1 secs Computing kpt #: 450 total cpu time spent up to now is 324.7 secs Computing kpt #: 451 total cpu time spent up to now is 325.2 secs Computing kpt #: 452 total cpu time spent up to now is 325.8 secs Computing kpt #: 453 total cpu time spent up to now is 326.5 secs Computing kpt #: 454 total cpu time spent up to now is 327.1 secs Computing kpt #: 455 total cpu time spent up to now is 327.8 secs Computing kpt #: 456 total cpu time spent up to now is 328.4 secs Computing kpt #: 457 total cpu time spent up to now is 329.0 secs Computing kpt #: 458 total cpu time spent up to now is 329.6 secs Computing kpt #: 459 total cpu time spent up to now is 330.3 secs Computing kpt #: 460 total cpu time spent up to now is 330.9 secs Computing kpt #: 461 total cpu time spent up to now is 331.5 secs Computing kpt #: 462 total cpu time spent up to now is 332.2 secs Computing kpt #: 463 total cpu time spent up to now is 332.9 secs Computing kpt #: 464 total cpu time spent up to now is 333.6 secs Computing kpt #: 465 total cpu time spent up to now is 334.3 secs Computing kpt #: 466 total cpu time spent up to now is 334.9 secs Computing kpt #: 467 total cpu time spent up to now is 335.6 secs Computing kpt #: 468 total cpu time spent up to now is 336.3 secs Computing kpt #: 469 total cpu time spent up to now is 336.9 secs Computing kpt #: 470 total cpu time spent up to now is 337.6 secs Computing kpt #: 471 total cpu time spent up to now is 338.2 secs Computing kpt #: 472 total cpu time spent up to now is 338.9 secs ethr = 3.57E-11, avg # of iterations = 18.6 total cpu time spent up to now is 339.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -5.4865 -5.4865 -3.9620 -3.9620 2.4857 2.4857 5.6224 5.6224 5.6860 5.6860 7.3824 7.3824 7.7394 7.7394 7.8882 7.8882 8.0357 8.0357 8.3155 8.3155 8.3714 8.3714 8.4885 8.4885 8.5459 8.5459 9.3360 9.3360 9.3748 9.3748 9.9810 9.9810 11.6823 11.6823 11.7068 11.7068 k = 0.0055 0.0095-0.0000 ( 2157 PWs) bands (ev): -5.4855 -5.4855 -3.9616 -3.9616 2.4870 2.4870 5.6224 5.6224 5.6845 5.6847 7.3771 7.3808 7.7325 7.7362 7.8755 7.8860 8.0192 8.0271 8.3115 8.3262 8.3749 8.3805 8.4945 8.4952 8.5523 8.5544 9.3354 9.3364 9.3746 9.3755 9.9802 9.9817 11.6780 11.6786 11.7046 11.7046 k = 0.0109 0.0189-0.0000 ( 2149 PWs) bands (ev): -5.4826 -5.4826 -3.9604 -3.9604 2.4907 2.4908 5.6222 5.6223 5.6800 5.6804 7.3647 7.3721 7.7160 7.7227 7.8489 7.8702 7.9816 7.9974 8.3137 8.3408 8.3903 8.3996 8.5078 8.5090 8.5770 8.5791 9.3347 9.3367 9.3746 9.3764 9.9793 9.9823 11.6646 11.6659 11.6991 11.6991 k = 0.0164 0.0284-0.0000 ( 2149 PWs) bands (ev): -5.4778 -5.4777 -3.9584 -3.9583 2.4970 2.4972 5.6218 5.6219 5.6726 5.6732 7.3442 7.3556 7.6912 7.6995 7.8107 7.8430 7.9315 7.9557 8.3206 8.3572 8.4142 8.4254 8.5210 8.5250 8.6200 8.6209 9.3339 9.3368 9.3750 9.3776 9.9782 9.9827 11.6415 11.6434 11.6917 11.6918 k = 0.0219 0.0379-0.0000 ( 2149 PWs) bands (ev): -5.4710 -5.4710 -3.9555 -3.9555 2.5058 2.5060 5.6211 5.6211 5.6625 5.6632 7.3148 7.3301 7.6594 7.6676 7.7635 7.8047 7.8789 7.9099 8.3308 8.3741 8.4428 8.4551 8.5357 8.5414 8.6749 8.6753 9.3332 9.3369 9.3757 9.3791 9.9769 9.9830 11.6096 11.6120 11.6825 11.6827 k = 0.0273 0.0473-0.0000 ( 2149 PWs) bands (ev): -5.4624 -5.4623 -3.9519 -3.9519 2.5171 2.5174 5.6196 5.6196 5.6502 5.6510 7.2752 7.2942 7.6216 7.6280 7.7096 7.7525 7.8339 7.8660 8.3429 8.3906 8.4738 8.4867 8.5538 8.5592 8.7362 8.7367 9.3329 9.3373 9.3769 9.3811 9.9755 9.9831 11.5705 11.5734 11.6711 11.6715 k = 0.0328 0.0568-0.0000 ( 2153 PWs) bands (ev): -5.4518 -5.4517 -3.9476 -3.9475 2.5310 2.5313 5.6154 5.6156 5.6376 5.6383 7.2248 7.2467 7.5787 7.5816 7.6509 7.6880 7.8003 7.8277 8.3562 8.4060 8.5054 8.5187 8.5751 8.5788 8.8005 8.8017 9.3339 9.3387 9.3785 9.3836 9.9740 9.9830 11.5260 11.5294 11.6571 11.6576 k = 0.0383 0.0663-0.0000 ( 2159 PWs) bands (ev): -5.4394 -5.4393 -3.9424 -3.9423 2.5472 2.5476 5.6039 5.6047 5.6292 5.6295 7.1633 7.1870 7.5293 7.5315 7.5896 7.6170 7.7754 7.7964 8.3700 8.4203 8.5371 8.5504 8.5993 8.6002 8.8653 8.8677 9.3370 9.3417 9.3808 9.3868 9.9722 9.9827 11.4774 11.4812 11.6403 11.6410 k = 0.0437 0.0757-0.0000 ( 2151 PWs) bands (ev): -5.4250 -5.4249 -3.9365 -3.9364 2.5660 2.5664 5.5848 5.5860 5.6256 5.6256 7.0914 7.1156 7.4718 7.4805 7.5276 7.5436 7.7570 7.7724 8.3842 8.4337 8.5685 8.5813 8.6233 8.6255 8.9283 8.9324 9.3431 9.3471 9.3843 9.3912 9.9703 9.9824 11.4261 11.4303 11.6207 11.6215 k = 0.0492 0.0852-0.0000 ( 2151 PWs) bands (ev): -5.4088 -5.4087 -3.9299 -3.9298 2.5872 2.5877 5.5613 5.5628 5.6233 5.6234 7.0099 7.0335 7.4102 7.4262 7.4655 7.4697 7.7437 7.7547 8.3983 8.4464 8.5994 8.6108 8.6477 8.6527 8.9867 8.9933 9.3531 9.3559 9.3900 9.3978 9.9682 9.9818 11.3729 11.3776 11.5980 11.5991 k = 0.0546 0.0946-0.0000 ( 2151 PWs) bands (ev): -5.3908 -5.3907 -3.9226 -3.9225 2.6109 2.6114 5.5348 5.5364 5.6213 5.6214 6.9199 6.9422 7.3460 7.3690 7.3964 7.4032 7.7346 7.7423 8.4125 8.4589 8.6296 8.6391 8.6729 8.6802 9.0375 9.0474 9.3659 9.3677 9.4019 9.4096 9.9660 9.9810 11.3190 11.3240 11.5724 11.5737 k = 0.0601 0.1041-0.0000 ( 2149 PWs) bands (ev): -5.3710 -5.3708 -3.9146 -3.9145 2.6369 2.6375 5.5056 5.5074 5.6190 5.6192 6.8229 6.8435 7.2804 7.3087 7.3249 7.3404 7.7289 7.7341 8.4268 8.4713 8.6590 8.6660 8.6986 8.7077 9.0779 9.0917 9.3762 9.3790 9.4277 9.4326 9.9635 9.9799 11.2649 11.2703 11.5439 11.5454 k = 0.0656 0.1136-0.0000 ( 2145 PWs) bands (ev): -5.3494 -5.3492 -3.9059 -3.9058 2.6654 2.6660 5.4742 5.4761 5.6163 5.6166 6.7200 6.7386 7.2142 7.2440 7.2569 7.2770 7.7260 7.7293 8.4412 8.4839 8.6875 8.6915 8.7244 8.7347 9.1069 9.1247 9.3827 9.3874 9.4695 9.4709 9.9608 9.9787 11.2113 11.2171 11.5126 11.5144 k = 0.0710 0.1230-0.0000 ( 2145 PWs) bands (ev): -5.3260 -5.3258 -3.8966 -3.8965 2.6962 2.6969 5.4405 5.4426 5.6129 5.6133 6.6124 6.6291 7.1479 7.1757 7.1923 7.2128 7.7252 7.7271 8.4557 8.4969 8.7148 8.7157 8.7500 8.7612 9.1258 9.1470 9.3876 9.3938 9.5225 9.5236 9.9579 9.9771 11.1588 11.1650 11.4787 11.4807 k = 0.0765 0.1325-0.0000 ( 2149 PWs) bands (ev): -5.3009 -5.3007 -3.8867 -3.8866 2.7293 2.7300 5.4048 5.4071 5.6086 5.6091 6.5011 6.5160 7.0818 7.1068 7.1283 7.1480 7.7264 7.7272 8.4704 8.5101 8.7386 8.7408 8.7751 8.7870 9.1371 9.1611 9.3919 9.3992 9.5836 9.5863 9.9546 9.9751 11.1076 11.1142 11.4423 11.4445 k = 0.0820 0.1420-0.0000 ( 2153 PWs) bands (ev): -5.2741 -5.2739 -3.8763 -3.8762 2.7647 2.7655 5.3673 5.3697 5.6033 5.6039 6.3870 6.4003 7.0162 7.0385 7.0641 7.0827 7.7290 7.7291 8.4852 8.5237 8.7602 8.7655 8.7995 8.8119 9.1434 9.1698 9.3959 9.4042 9.6511 9.6547 9.9511 9.9727 11.0582 11.0651 11.4037 11.4062 k = 0.0874 0.1514-0.0000 ( 2151 PWs) bands (ev): -5.2457 -5.2454 -3.8654 -3.8652 2.8024 2.8032 5.3282 5.3307 5.5966 5.5974 6.2712 6.2829 6.9513 6.9713 6.9996 7.0172 7.7324 7.7332 8.5004 8.5379 8.7804 8.7888 8.8232 8.8360 9.1465 9.1751 9.3997 9.4090 9.7224 9.7265 9.9473 9.9700 11.0109 11.0180 11.3630 11.3658 k = 0.0929 0.1609-0.0000 ( 2151 PWs) bands (ev): -5.2157 -5.2154 -3.8539 -3.8538 2.8423 2.8431 5.2875 5.2901 5.5880 5.5891 6.1545 6.1647 6.8870 6.9050 6.9349 6.9515 7.7371 7.7384 8.5159 8.5525 8.7993 8.8107 8.8460 8.8590 9.1478 9.1784 9.4034 9.4136 9.7959 9.8003 9.9432 9.9667 10.9658 10.9731 11.3205 11.3236 k = 0.0984 0.1704-0.0000 ( 2149 PWs) bands (ev): -5.1841 -5.1838 -3.8421 -3.8419 2.8843 2.8851 5.2455 5.2482 5.5770 5.5784 6.0382 6.0469 6.8236 6.8399 6.8702 6.8860 7.7430 7.7448 8.5315 8.5675 8.8168 8.8311 8.8678 8.8809 9.1482 9.1808 9.4069 9.4179 9.8706 9.8750 9.9387 9.9630 10.9231 10.9306 11.2766 11.2799 k = 0.1038 0.1798-0.0000 ( 2153 PWs) bands (ev): -5.1510 -5.1506 -3.8298 -3.8297 2.9284 2.9293 5.2022 5.2050 5.5619 5.5640 5.9240 5.9311 6.7611 6.7759 6.8057 6.8207 7.7498 7.7522 8.5473 8.5827 8.8328 8.8498 8.8886 8.9016 9.1484 9.1828 9.4100 9.4219 9.9330 9.9451 9.9508 9.9590 10.8829 10.8904 11.2313 11.2349 k = 0.1093 0.1893-0.0000 ( 2149 PWs) bands (ev): -5.1164 -5.1160 -3.8172 -3.8171 2.9746 2.9755 5.1579 5.1608 5.5399 5.5430 5.8153 5.8205 6.6995 6.7130 6.7417 6.7559 7.7578 7.7605 8.5631 8.5982 8.8473 8.8670 8.9084 8.9211 9.1491 9.1851 9.4127 9.4255 9.9281 9.9532 10.0205 10.0251 10.8454 10.8529 11.1851 11.1890 k = 0.1148 0.1988-0.0000 ( 2153 PWs) bands (ev): -5.0804 -5.0801 -3.8043 -3.8042 3.0228 3.0238 5.1127 5.1157 5.5038 5.5088 5.7192 5.7218 6.6389 6.6511 6.6784 6.6917 7.7666 7.7697 8.5790 8.6138 8.8600 8.8822 8.9274 8.9395 9.1504 9.1878 9.4148 9.4285 9.9222 9.9473 10.0943 10.0989 10.8106 10.8179 11.1381 11.1423 k = 0.1202 0.2082-0.0000 ( 2153 PWs) bands (ev): -5.0431 -5.0427 -3.7912 -3.7910 3.0730 3.0739 5.0669 5.0699 5.4429 5.4499 5.6471 5.6471 6.5792 6.5904 6.6158 6.6283 7.7764 7.7799 8.5948 8.6294 8.8711 8.8954 8.9455 8.9568 9.1529 9.1913 9.4162 9.4310 9.9157 9.9406 10.1670 10.1716 10.7786 10.7856 11.0908 11.0953 k = 0.1257 0.2177-0.0000 ( 2149 PWs) bands (ev): -5.0045 -5.0041 -3.7779 -3.7777 3.1250 3.1260 5.0206 5.0237 5.3553 5.3630 5.5996 5.6009 6.5206 6.5307 6.5543 6.5659 7.7871 7.7908 8.6104 8.6450 8.8805 8.9064 8.9630 8.9732 9.1568 9.1958 9.4169 9.4327 9.9087 9.9331 10.2381 10.2426 10.7493 10.7558 11.0434 11.0482 k = 0.1311 0.2272-0.0000 ( 2149 PWs) bands (ev): -4.9648 -4.9643 -3.7644 -3.7642 3.1788 3.1798 4.9739 4.9770 5.2523 5.2597 5.5679 5.5695 6.4631 6.4720 6.4940 6.5046 7.7986 7.8027 8.6257 8.6603 8.8881 8.9152 8.9799 8.9889 9.1621 9.2011 9.4167 9.4336 9.9010 9.9246 10.3072 10.3116 10.7227 10.7286 10.9962 11.0013 k = 0.1366 0.2366-0.0000 ( 2147 PWs) bands (ev): -4.9238 -4.9234 -3.7509 -3.7507 3.2343 3.2354 4.9271 4.9303 5.1433 5.1501 5.5421 5.5437 6.4066 6.4143 6.4350 6.4446 7.8110 7.8154 8.6405 8.6753 8.8941 8.9219 8.9964 9.0040 9.1689 9.2075 9.4155 9.4336 9.8928 9.9152 10.3739 10.3783 10.6987 10.7039 10.9496 10.9550 k = 0.1421 0.2461-0.0000 ( 2155 PWs) bands (ev): -4.8819 -4.8813 -3.7373 -3.7371 3.2915 3.2926 4.8803 4.8835 5.0323 5.0385 5.5180 5.5195 6.3511 6.3575 6.3775 6.3858 7.8242 7.8288 8.6548 8.6897 8.8984 8.9263 9.0127 9.0188 9.1769 9.2145 9.4132 9.4325 9.8839 9.9048 10.4378 10.4421 10.6771 10.6814 10.9037 10.9094 k = 0.1475 0.2555-0.0000 ( 2159 PWs) bands (ev): -4.8389 -4.8384 -3.7238 -3.7236 3.3503 3.3513 4.8338 4.8369 4.9213 4.9270 5.4937 5.4951 6.2966 6.3015 6.3217 6.3286 7.8383 7.8432 8.6685 8.7036 8.9013 8.9288 9.0289 9.0336 9.1859 9.2222 9.4098 9.4305 9.8743 9.8935 10.4985 10.5026 10.6578 10.6612 10.8592 10.8652 k = 0.1530 0.2650-0.0000 ( 2159 PWs) bands (ev): -4.7951 -4.7945 -3.7103 -3.7101 3.4104 3.4115 4.7876 4.7903 4.8118 4.8167 5.4685 5.4698 6.2432 6.2466 6.2676 6.2729 7.8533 7.8585 8.6814 8.7166 8.9030 8.9298 9.0453 9.0486 9.1956 9.2303 9.4054 9.4274 9.8641 9.8814 10.5552 10.5590 10.6406 10.6433 10.8165 10.8228 k = 0.1585 0.2745-0.0000 ( 2163 PWs) bands (ev): -4.7504 -4.7498 -3.6971 -3.6968 3.4720 3.4730 4.7027 4.7079 4.7421 4.7455 5.4418 5.4431 6.1908 6.1926 6.2150 6.2189 7.8691 7.8746 8.6934 8.7287 8.9036 8.9294 9.0621 9.0640 9.2057 9.2386 9.4000 9.4233 9.8531 9.8684 10.6064 10.6076 10.6254 10.6298 10.7770 10.7834 k = 0.1639 0.2839-0.0000 ( 2163 PWs) bands (ev): -4.7051 -4.7045 -3.6840 -3.6838 3.5348 3.5358 4.5966 4.6013 4.6973 4.7005 5.4133 5.4146 6.1394 6.1398 6.1641 6.1667 7.8858 7.8916 8.7044 8.7398 8.9033 8.9279 9.0792 9.0798 9.2158 9.2467 9.3936 9.4182 9.8416 9.8547 10.6092 10.6112 10.6485 10.6553 10.7450 10.7512 k = 0.1694 0.2934-0.0000 ( 2159 PWs) bands (ev): -4.6592 -4.6585 -3.6712 -3.6710 3.5987 3.5996 4.4928 4.4972 4.6534 4.6566 5.3830 5.3843 6.0884 6.0890 6.1148 6.1162 7.9033 7.9094 8.7144 8.7498 8.9024 8.9257 9.0962 9.0971 9.2256 9.2545 9.3864 9.4122 9.8294 9.8403 10.5962 10.5988 10.6609 10.6689 10.7399 10.7447 k = 0.1749 0.3029-0.0000 ( 2163 PWs) bands (ev): -4.6128 -4.6121 -3.6588 -3.6585 3.6635 3.6645 4.3916 4.3957 4.6106 4.6137 5.3508 5.3521 6.0382 6.0397 6.0669 6.0674 7.9216 7.9280 8.7234 8.7585 8.9008 8.9228 9.1132 9.1156 9.2347 9.2614 9.3784 9.4053 9.8166 9.8253 10.5836 10.5874 10.6388 10.6477 10.7669 10.7711 k = 0.1803 0.3123-0.0000 ( 2163 PWs) bands (ev): -4.5660 -4.5653 -3.6467 -3.6465 3.7293 3.7302 4.2934 4.2972 4.5691 4.5721 5.3166 5.3179 5.9894 5.9916 6.0202 6.0205 7.9408 7.9475 8.7312 8.7661 8.8989 8.9196 9.1308 9.1347 9.2431 9.2675 9.3699 9.3978 9.8032 9.8096 10.5713 10.5768 10.6086 10.6183 10.7997 10.8037 k = 0.1858 0.3218-0.0000 ( 2167 PWs) bands (ev): -4.5190 -4.5182 -3.6351 -3.6349 3.7957 3.7966 4.1983 4.2018 4.5291 4.5320 5.2803 5.2817 5.9420 5.9448 5.9747 5.9754 7.9608 7.9678 8.7379 8.7723 8.8967 8.9162 9.1488 9.1547 9.2504 9.2722 9.3611 9.3897 9.7891 9.7934 10.5586 10.5666 10.5783 10.5898 10.8299 10.8339 k = 0.1913 0.3313-0.0000 ( 2171 PWs) bands (ev): -4.4718 -4.4710 -3.6240 -3.6238 3.8627 3.8634 4.1066 4.1098 4.4906 4.4933 5.2422 5.2436 5.8961 5.8992 5.9306 5.9318 7.9816 7.9889 8.7436 8.7775 8.8944 8.9127 9.1668 9.1755 9.2569 9.2755 9.3523 9.3814 9.7743 9.7766 10.5433 10.5485 10.5580 10.5658 10.8558 10.8597 k = 0.1967 0.3407-0.0000 ( 2179 PWs) bands (ev): -4.4247 -4.4238 -3.6135 -3.6133 3.9299 3.9306 4.0185 4.0214 4.4539 4.4563 5.2021 5.2037 5.8517 5.8550 5.8880 5.8894 8.0030 8.0107 8.7483 8.7816 8.8921 8.9092 9.1840 9.1967 9.2629 9.2769 9.3437 9.3730 9.7592 9.7595 10.5221 10.5233 10.5482 10.5490 10.8768 10.8805 k = 0.2022 0.3502-0.0000 ( 2183 PWs) bands (ev): -4.3776 -4.3768 -3.6036 -3.6034 3.9331 3.9363 3.9983 3.9984 4.4191 4.4212 5.1603 5.1619 5.8088 5.8123 5.8469 5.8484 8.0252 8.0333 8.7522 8.7849 8.8898 8.9057 9.1991 9.2185 9.2694 9.2765 9.3357 9.3650 9.7420 9.7434 10.4979 10.5014 10.5366 10.5388 10.8925 10.8961 k = 0.2077 0.3597-0.0000 ( 2183 PWs) bands (ev): -4.3309 -4.3300 -3.5943 -3.5941 3.8527 3.8555 4.0654 4.0657 4.3863 4.3879 5.1168 5.1184 5.7676 5.7710 5.8071 5.8088 8.0481 8.0566 8.7554 8.7874 8.8877 8.9023 9.2098 9.2402 9.2744 9.2782 9.3288 9.3575 9.7242 9.7273 10.4761 10.4805 10.5258 10.5295 10.9029 10.9063 k = 0.2131 0.3691-0.0000 ( 2175 PWs) bands (ev): -4.2845 -4.2835 -3.5858 -3.5856 3.7761 3.7787 4.1320 4.1332 4.3560 4.3567 5.0717 5.0734 5.7279 5.7313 5.7687 5.7704 8.0717 8.0805 8.7580 8.7892 8.8858 8.8992 9.2145 9.2586 9.2730 9.2898 9.3242 9.3514 9.7063 9.7108 10.4569 10.4616 10.5155 10.5202 10.9078 10.9111 k = 0.2186 0.3786-0.0000 ( 2175 PWs) bands (ev): -4.2386 -4.2377 -3.5780 -3.5778 3.7036 3.7060 4.1969 4.2003 4.3276 4.3291 5.0252 5.0270 5.6897 5.6931 5.7316 5.7333 8.0957 8.1050 8.7601 8.7905 8.8841 8.8963 9.2134 9.2593 9.2852 9.2989 9.3268 9.3480 9.6881 9.6939 10.4401 10.4449 10.5054 10.5106 10.9074 10.9104 k = 0.2240 0.3881-0.0000 ( 2173 PWs) bands (ev): -4.1935 -4.1925 -3.5710 -3.5708 3.6354 3.6376 4.2533 4.2664 4.3009 4.3123 4.9774 4.9793 5.6532 5.6565 5.6958 5.6974 8.1203 8.1299 8.7618 8.7915 8.8828 8.8936 9.2082 9.2519 9.2979 9.2982 9.3422 9.3512 9.6699 9.6767 10.4256 10.4304 10.4953 10.5009 10.9017 10.9045 k = 0.2295 0.3975-0.0000 ( 2173 PWs) bands (ev): -4.1492 -4.1481 -3.5648 -3.5646 3.5716 3.5737 4.2626 4.2751 4.3330 4.3440 4.9285 4.9306 5.6182 5.6214 5.6612 5.6628 8.1452 8.1552 8.7632 8.7922 8.8817 8.8911 9.2005 9.2424 9.2927 9.3009 9.3638 9.3645 9.6519 9.6595 10.4134 10.4179 10.4852 10.4909 10.8909 10.8935 k = 0.2350 0.4070-0.0000 ( 2167 PWs) bands (ev): -4.1058 -4.1047 -3.5595 -3.5593 3.5124 3.5143 4.2450 4.2527 4.3975 4.4038 4.8788 4.8809 5.5850 5.5880 5.6278 5.6294 8.1704 8.1810 8.7645 8.7929 8.8811 8.8890 9.1913 9.2319 9.2855 9.2968 9.3848 9.3876 9.6344 9.6425 10.4032 10.4074 10.4752 10.4809 10.8753 10.8777 k = 0.2404 0.4164-0.0000 ( 2167 PWs) bands (ev): -4.0635 -4.0624 -3.5551 -3.5549 3.4579 3.4597 4.2262 4.2324 4.4608 4.4658 4.8283 4.8305 5.5533 5.5561 5.5957 5.5972 8.1959 8.2069 8.7659 8.7935 8.8809 8.8872 9.1811 9.2205 9.2772 9.2893 9.4073 9.4118 9.6181 9.6264 10.3948 10.3985 10.4652 10.4707 10.8551 10.8571 k = 0.2459 0.4259-0.0000 ( 2159 PWs) bands (ev): -4.0225 -4.0214 -3.5515 -3.5514 3.4081 3.4097 4.2088 4.2142 4.5225 4.5269 4.7774 4.7798 5.5233 5.5259 5.5648 5.5662 8.2215 8.2330 8.7673 8.7944 8.8812 8.8857 9.1705 9.2087 9.2681 9.2801 9.4294 9.4353 9.6041 9.6121 10.3882 10.3912 10.4555 10.4605 10.8306 10.8323 k = 0.2514 0.4354-0.0000 ( 2159 PWs) bands (ev): -3.9829 -3.9817 -3.5489 -3.5488 3.3631 3.3646 4.1933 4.1983 4.5820 4.5864 4.7264 4.7291 5.4950 5.4973 5.5351 5.5364 8.2472 8.2592 8.7689 8.7954 8.8818 8.8846 9.1596 9.1965 9.2581 9.2698 9.4483 9.4559 9.5945 9.6014 10.3828 10.3850 10.4460 10.4503 10.8022 10.8035 k = 0.2568 0.4448-0.0000 ( 2163 PWs) bands (ev): -3.9448 -3.9435 -3.5472 -3.5471 3.3230 3.3244 4.1799 4.1845 4.6364 4.6419 4.6775 4.6815 5.4684 5.4703 5.5066 5.5077 8.2728 8.2853 8.7707 8.7966 8.8829 8.8838 9.1486 9.1841 9.2476 9.2588 9.4605 9.4705 9.5927 9.5978 10.3786 10.3796 10.4370 10.4403 10.7701 10.7710 k = 0.2623 0.4543-0.0000 ( 2165 PWs) bands (ev): -3.9083 -3.9070 -3.5464 -3.5463 3.2877 3.2890 4.1685 4.1728 4.6216 4.6224 4.7001 4.7024 5.4435 5.4451 5.4792 5.4801 8.2983 8.3113 8.7728 8.7982 8.8834 8.8845 9.1379 9.1715 9.2365 9.2475 9.4630 9.4753 9.6017 9.6049 10.3748 10.3751 10.4287 10.4305 10.7349 10.7351 k = 0.2678 0.4638-0.0000 ( 2165 PWs) bands (ev): -3.8735 -3.8722 -3.5466 -3.5464 3.2573 3.2584 4.1591 4.1632 4.5717 4.5732 4.7519 4.7550 5.4204 5.4215 5.4530 5.4537 8.3234 8.3369 8.7753 8.8002 8.8834 8.8865 9.1273 9.1589 9.2253 9.2361 9.4567 9.4705 9.6208 9.6228 10.3700 10.3722 10.4213 10.4214 10.6964 10.6968 k = 0.2732 0.4732-0.0000 ( 2173 PWs) bands (ev): -3.8406 -3.8393 -3.5476 -3.5475 3.2315 3.2326 4.1517 4.1556 4.5219 4.5237 4.8020 4.8054 5.3992 5.3996 5.4281 5.4285 8.3481 8.3621 8.7781 8.8025 8.8836 8.8889 9.1170 9.1460 9.2138 9.2249 9.4447 9.4593 9.6468 9.6484 10.3652 10.3695 10.4126 10.4153 10.6550 10.6564 k = 0.2787 0.4827-0.0000 ( 2169 PWs) bands (ev): -3.8097 -3.8083 -3.5495 -3.5494 3.2105 3.2115 4.1461 4.1498 4.4732 4.4750 4.8494 4.8531 5.3794 5.3798 5.4044 5.4044 8.3723 8.3867 8.7812 8.8051 8.8843 8.8918 9.1072 9.1333 9.2027 9.2142 9.4301 9.4450 9.6772 9.6786 10.3600 10.3667 10.4046 10.4104 10.6115 10.6141 k = 0.2842 0.4922-0.0000 ( 2169 PWs) bands (ev): -3.7807 -3.7793 -3.5523 -3.5523 3.1938 3.1947 4.1422 4.1457 4.4259 4.4278 4.8937 4.8977 5.3608 5.3622 5.3815 5.3822 8.3957 8.4105 8.7846 8.8081 8.8852 8.8950 9.0977 9.1205 9.1920 9.2042 9.4141 9.4293 9.7106 9.7120 10.3544 10.3637 10.3972 10.4066 10.5662 10.5705 k = 0.2896 0.5016-0.0000 ( 2173 PWs) bands (ev): -3.7538 -3.7524 -3.5560 -3.5559 3.1814 3.1822 4.1398 4.1432 4.3805 4.3825 4.9347 4.9390 5.3433 5.3462 5.3600 5.3617 8.4181 8.4332 8.7880 8.8112 8.8864 8.8986 9.0885 9.1077 9.1818 9.1949 9.3980 9.4134 9.7463 9.7478 10.3487 10.3603 10.3898 10.4036 10.5195 10.5266 k = 0.2951 0.5111-0.0000 ( 2177 PWs) bands (ev): -3.7290 -3.7276 -3.5605 -3.5604 3.1728 3.1735 4.1389 4.1422 4.3376 4.3395 4.9722 4.9770 5.3265 5.3312 5.3407 5.3436 8.4393 8.4545 8.7916 8.8146 8.8878 8.9024 9.0798 9.0953 9.1725 9.1865 9.3822 9.3978 9.7837 9.7853 10.3429 10.3565 10.3810 10.4011 10.4720 10.4842 k = 0.3005 0.5206-0.0000 ( 2177 PWs) bands (ev): -3.7064 -3.7049 -3.5657 -3.5657 3.1675 3.1682 4.1393 4.1424 4.2976 4.2995 5.0062 5.0115 5.3096 5.3148 5.3256 5.3285 8.4592 8.4743 8.7951 8.8181 8.8892 8.9063 9.0716 9.0834 9.1641 9.1790 9.3674 9.3832 9.8228 9.8246 10.3368 10.3515 10.3677 10.3976 10.4258 10.4473 k = 0.3060 0.5300-0.0000 ( 2177 PWs) bands (ev): -3.6859 -3.6844 -3.5717 -3.5717 3.1652 3.1657 4.1407 4.1436 4.2613 4.2632 5.0367 5.0425 5.2924 5.2971 5.3150 5.3165 8.4775 8.4921 8.7984 8.8218 8.8906 8.9102 9.0639 9.0723 9.1568 9.1723 9.3540 9.3700 9.8633 9.8654 10.3286 10.3348 10.3548 10.3742 10.4018 10.4222 k = 0.3115 0.5395-0.0000 ( 2179 PWs) bands (ev): -3.6676 -3.6661 -3.5784 -3.5784 3.1649 3.1654 4.1430 4.1457 4.2296 4.2314 5.0637 5.0702 5.2755 5.2795 5.3071 5.3071 8.4937 8.5076 8.8013 8.8257 8.8918 8.9140 9.0569 9.0623 9.1503 9.1662 9.3423 9.3584 9.9050 9.9075 10.2981 10.3061 10.3452 10.3509 10.3985 10.4090 k = 0.3169 0.5490-0.0000 ( 2181 PWs) bands (ev): -3.6514 -3.6499 -3.5858 -3.5857 3.1661 3.1665 4.1458 4.1484 4.2031 4.2049 5.0874 5.0945 5.2591 5.2627 5.2998 5.3011 8.5076 8.5203 8.8036 8.8299 8.8928 8.9177 9.0507 9.0537 9.1448 9.1606 9.3327 9.3488 9.9476 9.9505 10.2544 10.2633 10.3365 10.3493 10.3965 10.4020 k = 0.3224 0.5584-0.0000 ( 2189 PWs) bands (ev): -3.6373 -3.6358 -3.5937 -3.5936 3.1678 3.1680 4.1488 4.1511 4.1833 4.1850 5.1081 5.1159 5.2434 5.2468 5.2943 5.2967 8.5188 8.5298 8.8054 8.8345 8.8935 8.9212 9.0455 9.0469 9.1403 9.1554 9.3253 9.3413 9.9900 9.9935 10.2092 10.2168 10.3338 10.3487 10.3945 10.3976 k = 0.3279 0.5679-0.0000 ( 2193 PWs) bands (ev): -3.6253 -3.6238 -3.6021 -3.6020 3.1690 3.1691 4.1509 4.1530 4.1718 4.1734 5.1260 5.1345 5.2285 5.2317 5.2901 5.2937 8.5268 8.5356 8.8064 8.8394 8.8937 8.9245 9.0415 9.0421 9.1366 9.1505 9.3205 9.3363 10.0293 10.0335 10.1672 10.1736 10.3332 10.3489 10.3928 10.3951 k = 0.3333 0.5774-0.0000 ( 2193 PWs) bands (ev): -3.6164 -3.6147 -3.6101 -3.6098 3.1688 3.1688 4.1522 4.1539 4.1693 4.1710 5.1417 5.1509 5.2144 5.2176 5.2870 5.2916 8.5314 8.5376 8.8066 8.8444 8.8938 8.9278 9.0389 9.0393 9.1338 9.1460 9.3183 9.3338 10.0516 10.0564 10.1431 10.1488 10.3337 10.3492 10.3914 10.3946 k = 0.3333 0.5774-0.0000 ( 2193 PWs) bands (ev): -3.6164 -3.6147 -3.6101 -3.6098 3.1688 3.1688 4.1522 4.1539 4.1693 4.1710 5.1417 5.1509 5.2144 5.2176 5.2870 5.2916 8.5314 8.5376 8.8066 8.8444 8.8938 8.9278 9.0389 9.0393 9.1338 9.1460 9.3183 9.3338 10.0516 10.0564 10.1431 10.1488 10.3337 10.3492 10.3914 10.3946 k = 0.3226 0.5774-0.0000 ( 2193 PWs) bands (ev): -3.6237 -3.6223 -3.6039 -3.6033 3.1682 3.1683 4.1533 4.1551 4.1709 4.1727 5.1336 5.1424 5.2206 5.2243 5.2891 5.2935 8.5269 8.5363 8.8067 8.8433 8.8937 8.9256 9.0401 9.0409 9.1354 9.1486 9.3199 9.3355 10.0308 10.0345 10.1662 10.1712 10.3331 10.3491 10.3926 10.3956 k = 0.3118 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.6330 -3.6316 -3.5978 -3.5971 3.1648 3.1650 4.1592 4.1612 4.1766 4.1785 5.1248 5.1331 5.2255 5.2302 5.2926 5.2973 8.5172 8.5314 8.8067 8.8451 8.8934 8.9221 9.0425 9.0433 9.1381 9.1521 9.3235 9.3393 9.9916 9.9947 10.2083 10.2137 10.3319 10.3481 10.3959 10.3999 k = 0.3011 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.6427 -3.6414 -3.5932 -3.5924 3.1582 3.1584 4.1665 4.1679 4.1907 4.1921 5.1159 5.1237 5.2290 5.2345 5.2974 5.3023 8.5033 8.5221 8.8063 8.8494 8.8929 8.9178 9.0455 9.0470 9.1416 9.1563 9.3288 9.3448 9.9485 9.9515 10.2543 10.2609 10.3301 10.3451 10.4028 10.4081 k = 0.2903 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.6527 -3.6515 -3.5901 -3.5893 3.1481 3.1484 4.1715 4.1722 4.2162 4.2174 5.1072 5.1147 5.2312 5.2370 5.3033 5.3083 8.4857 8.5085 8.8057 8.8554 8.8915 8.9135 9.0490 9.0521 9.1460 9.1612 9.3355 9.3516 9.9048 9.9080 10.2962 10.3077 10.3331 10.3403 10.4145 10.4207 k = 0.2796 0.5774-0.0000 ( 2175 PWs) bands (ev): -3.6629 -3.6618 -3.5884 -3.5877 3.1347 3.1350 4.1750 4.1753 4.2516 4.2531 5.0988 5.1062 5.2318 5.2377 5.3105 5.3153 8.4650 8.4909 8.8047 8.8623 8.8883 8.9109 9.0533 9.0583 9.1512 9.1668 9.3434 9.3596 9.8618 9.8653 10.3078 10.3305 10.3547 10.3658 10.4315 10.4390 k = 0.2688 0.5774-0.0000 ( 2175 PWs) bands (ev): -3.6733 -3.6722 -3.5880 -3.5873 3.1182 3.1185 4.1776 4.1778 4.2960 4.2979 5.0908 5.0982 5.2308 5.2365 5.3190 5.3233 8.4416 8.4699 8.8029 8.8690 8.8828 8.9112 9.0583 9.0654 9.1570 9.1729 9.3521 9.3683 9.8196 9.8235 10.3020 10.3220 10.3962 10.4099 10.4555 10.4647 k = 0.2581 0.5774-0.0000 ( 2179 PWs) bands (ev): -3.6838 -3.6827 -3.5889 -3.5881 3.0990 3.0994 4.1796 4.1800 4.3485 4.3509 5.0833 5.0910 5.2281 5.2334 5.3289 5.3325 8.4157 8.4457 8.8001 8.8704 8.8801 8.9141 9.0641 9.0731 9.1633 9.1794 9.3613 9.3775 9.7787 9.7830 10.2924 10.3111 10.4335 10.4481 10.4902 10.4995 k = 0.2473 0.5774-0.0000 ( 2187 PWs) bands (ev): -3.6943 -3.6933 -3.5907 -3.5900 3.0777 3.0780 4.1812 4.1817 4.4081 4.4113 5.0764 5.0845 5.2238 5.2286 5.3399 5.3428 8.3877 8.4187 8.7962 8.8621 8.8855 8.9187 9.0704 9.0812 9.1701 9.1861 9.3708 9.3870 9.7393 9.7441 10.2810 10.2988 10.4673 10.4803 10.5339 10.5414 k = 0.2366 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.7048 -3.7038 -3.5936 -3.5928 3.0547 3.0550 4.1824 4.1830 4.4742 4.4783 5.0700 5.0789 5.2179 5.2221 5.3520 5.3543 8.3577 8.3894 8.7913 8.8519 8.8921 8.9245 9.0773 9.0897 9.1773 9.1932 9.3803 9.3965 9.7018 9.7070 10.2679 10.2851 10.5006 10.5120 10.5809 10.5866 k = 0.2258 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.7153 -3.7143 -3.5972 -3.5965 3.0305 3.0309 4.1833 4.1840 4.5456 4.5510 5.0643 5.0743 5.2106 5.2144 5.3650 5.3667 8.3259 8.3578 8.7855 8.8410 8.8984 8.9308 9.0846 9.0982 9.1847 9.2004 9.3898 9.4060 9.6661 9.6720 10.2536 10.2701 10.5357 10.5459 10.6281 10.6326 k = 0.2151 0.5774-0.0000 ( 2185 PWs) bands (ev): -3.7256 -3.7246 -3.6016 -3.6009 3.0057 3.0060 4.1839 4.1847 4.6214 4.6286 5.0594 5.0711 5.2023 5.2056 5.3786 5.3799 8.2922 8.3242 8.7789 8.8298 8.9045 8.9370 9.0922 9.1066 9.1923 9.2076 9.3990 9.4151 9.6327 9.6391 10.2379 10.2540 10.5736 10.5829 10.6742 10.6780 k = 0.2043 0.5774-0.0000 ( 2181 PWs) bands (ev): -3.7357 -3.7348 -3.6065 -3.6058 2.9805 2.9808 4.1841 4.1850 4.7001 4.7100 5.0557 5.0697 5.1932 5.1962 5.3926 5.3939 8.2567 8.2885 8.7718 8.8186 8.9103 8.9430 9.1000 9.1148 9.1999 9.2149 9.4077 9.4239 9.6016 9.6086 10.2212 10.2368 10.6147 10.6233 10.7188 10.7222 k = 0.1935 0.5774-0.0000 ( 2181 PWs) bands (ev): -3.7456 -3.7448 -3.6119 -3.6113 2.9553 2.9556 4.1841 4.1851 4.7798 4.7937 5.0536 5.0715 5.1837 5.1864 5.4068 5.4083 8.2196 8.2509 8.7643 8.8075 8.9152 8.9481 9.1078 9.1227 9.2073 9.2219 9.4157 9.4319 9.5731 9.5807 10.2036 10.2187 10.6592 10.6671 10.7616 10.7646 k = 0.1828 0.5774-0.0000 ( 2181 PWs) bands (ev): -3.7553 -3.7545 -3.6177 -3.6170 2.9304 2.9307 4.1839 4.1849 4.8563 4.8767 5.0554 5.0790 5.1744 5.1773 5.4211 5.4231 8.1806 8.2114 8.7568 8.7966 8.9195 8.9523 9.1156 9.1303 9.2147 9.2288 9.4228 9.4389 9.5476 9.5558 10.1851 10.1998 10.7069 10.7141 10.8024 10.8053 k = 0.1720 0.5774-0.0000 ( 2181 PWs) bands (ev): -3.7646 -3.7638 -3.6237 -3.6231 2.9061 2.9064 4.1834 4.1845 4.9216 4.9500 5.0675 5.0970 5.1671 5.1718 5.4355 5.4381 8.1399 8.1700 8.7492 8.7859 8.9229 8.9554 9.1233 9.1376 9.2218 9.2353 9.4284 9.4444 9.5256 9.5342 10.1660 10.1803 10.7575 10.7639 10.8413 10.8443 k = 0.1613 0.5774-0.0000 ( 2175 PWs) bands (ev): -3.7736 -3.7729 -3.6299 -3.6293 2.8825 2.8828 4.1828 4.1839 4.9647 4.9928 5.1007 5.1209 5.1715 5.1851 5.4497 5.4532 8.0974 8.1267 8.7418 8.7757 8.9254 8.9573 9.1309 9.1445 9.2286 9.2415 9.4321 9.4472 9.5084 9.5168 10.1464 10.1603 10.8103 10.8155 10.8789 10.8825 k = 0.1505 0.5774-0.0000 ( 2171 PWs) bands (ev): -3.7822 -3.7815 -3.6361 -3.6355 2.8598 2.8601 4.1821 4.1832 4.9860 5.0061 5.1184 5.1249 5.2227 5.2415 5.4640 5.4687 8.0531 8.0815 8.7346 8.7658 8.9269 8.9579 9.1382 9.1510 9.2351 9.2473 9.4326 9.4456 9.4973 9.5045 10.1266 10.1401 10.8629 10.8665 10.9170 10.9222 k = 0.1398 0.5774-0.0000 ( 2171 PWs) bands (ev): -3.7903 -3.7897 -3.6423 -3.6417 2.8383 2.8385 4.1813 4.1823 4.9953 5.0093 5.1142 5.1177 5.3073 5.3205 5.4784 5.4856 8.0071 8.0344 8.7277 8.7563 8.9273 8.9571 9.1453 9.1572 9.2412 9.2526 9.4293 9.4390 9.4926 9.4981 10.1068 10.1198 10.9092 10.9123 10.9608 10.9683 k = 0.1290 0.5774-0.0000 ( 2169 PWs) bands (ev): -3.7980 -3.7974 -3.6483 -3.6478 2.8179 2.8181 4.1804 4.1814 4.9994 5.0095 5.1057 5.1082 5.3979 5.4024 5.4948 5.5079 7.9593 7.9855 8.7211 8.7474 8.9267 8.9552 9.1521 9.1629 9.2468 9.2574 9.4230 9.4298 9.4920 9.4970 10.0872 10.0996 10.9452 10.9484 11.0153 11.0236 k = 0.1183 0.5774-0.0000 ( 2165 PWs) bands (ev): -3.8052 -3.8047 -3.6542 -3.6537 2.7988 2.7990 4.1795 4.1805 5.0011 5.0087 5.0962 5.0982 5.4649 5.4737 5.5280 5.5520 7.9099 7.9348 8.7150 8.7390 8.9254 8.9521 9.1586 9.1684 9.2519 9.2616 9.4152 9.4201 9.4936 9.4989 10.0681 10.0799 10.9740 10.9769 11.0772 11.0852 k = 0.1075 0.5774-0.0000 ( 2169 PWs) bands (ev): -3.8119 -3.8114 -3.6598 -3.6594 2.7811 2.7813 4.1785 4.1795 5.0017 5.0075 5.0868 5.0884 5.4946 5.5019 5.6082 5.6293 7.8590 7.8826 8.7094 8.7311 8.9232 8.9480 9.1647 9.1735 9.2566 9.2653 9.4072 9.4112 9.4962 9.5019 10.0497 10.0609 10.9983 11.0009 11.1425 11.1499 k = 0.0968 0.5774-0.0000 ( 2169 PWs) bands (ev): -3.8180 -3.8176 -3.6650 -3.6647 2.7650 2.7651 4.1776 4.1785 5.0018 5.0062 5.0778 5.0792 5.5108 5.5154 5.7013 5.7186 7.8070 7.8292 8.7044 8.7239 8.9205 8.9432 9.1704 9.1782 9.2607 9.2685 9.3999 9.4034 9.4994 9.5051 10.0323 10.0427 11.0194 11.0216 11.2091 11.2160 k = 0.0860 0.5774-0.0000 ( 2170 PWs) bands (ev): -3.8236 -3.8232 -3.6699 -3.6696 2.7503 2.7505 4.1768 4.1775 5.0016 5.0050 5.0693 5.0705 5.5227 5.5259 5.7943 5.8092 7.7544 7.7750 8.6999 8.7171 8.9175 8.9380 9.1757 9.1825 9.2643 9.2712 9.3934 9.3968 9.5027 9.5082 10.0161 10.0257 11.0376 11.0395 11.2758 11.2821 k = 0.0753 0.5774-0.0000 ( 2182 PWs) bands (ev): -3.8285 -3.8282 -3.6743 -3.6740 2.7373 2.7374 4.1759 4.1766 5.0013 5.0039 5.0616 5.0626 5.5324 5.5348 5.8845 5.8976 7.7018 7.7208 8.6959 8.7110 8.9144 8.9325 9.1803 9.1862 9.2673 9.2733 9.3879 9.3912 9.5058 9.5110 10.0013 10.0100 11.0532 11.0549 11.3410 11.3468 k = 0.0645 0.5774-0.0000 ( 2188 PWs) bands (ev): -3.8328 -3.8325 -3.6782 -3.6780 2.7259 2.7260 4.1752 4.1758 5.0009 5.0029 5.0547 5.0555 5.5406 5.5423 5.9700 5.9816 7.6502 7.6674 8.6926 8.7055 8.9114 8.9270 9.1845 9.1895 9.2699 9.2751 9.3835 9.3866 9.5088 9.5134 9.9882 9.9958 11.0666 11.0680 11.4033 11.4084 k = 0.0538 0.5774-0.0000 ( 2192 PWs) bands (ev): -3.8365 -3.8363 -3.6816 -3.6814 2.7162 2.7163 4.1746 4.1751 5.0006 5.0020 5.0487 5.0494 5.5474 5.5487 6.0490 6.0593 7.6011 7.6162 8.6899 8.7007 8.9086 8.9217 9.1882 9.1923 9.2722 9.2764 9.3800 9.3829 9.5114 9.5154 9.9770 9.9835 11.0778 11.0790 11.4610 11.4654 k = 0.0430 0.5774-0.0000 ( 2200 PWs) bands (ev): -3.8395 -3.8393 -3.6844 -3.6843 2.7082 2.7083 4.1740 4.1745 5.0004 5.0014 5.0437 5.0443 5.5529 5.5539 6.1195 6.1282 7.5563 7.5690 8.6878 8.6965 8.9064 8.9169 9.1913 9.1946 9.2740 9.2774 9.3773 9.3798 9.5136 9.5169 9.9677 9.9730 11.0868 11.0877 11.5122 11.5159 k = 0.0323 0.5774-0.0000 ( 2196 PWs) bands (ev): -3.8419 -3.8417 -3.6866 -3.6865 2.7020 2.7021 4.1736 4.1740 5.0002 5.0009 5.0398 5.0403 5.5572 5.5579 6.1789 6.1858 7.5178 7.5278 8.6865 8.6930 8.9048 8.9127 9.1939 9.1963 9.2755 9.2781 9.3755 9.3775 9.5156 9.5181 9.9605 9.9646 11.0938 11.0945 11.5550 11.5578 k = 0.0215 0.5774-0.0000 ( 2196 PWs) bands (ev): -3.8436 -3.8435 -3.6882 -3.6881 2.6976 2.6976 4.1734 4.1736 5.0001 5.0005 5.0370 5.0373 5.5603 5.5608 6.2246 6.2295 7.4883 7.4953 8.6859 8.6902 8.9040 8.9092 9.1958 9.1975 9.2767 9.2785 9.3743 9.3757 9.5171 9.5188 9.9556 9.9583 11.0987 11.0992 11.5874 11.5893 k = 0.0108 0.5774-0.0000 ( 2196 PWs) bands (ev): -3.8446 -3.8445 -3.6892 -3.6891 2.6949 2.6949 4.1732 4.1733 5.0001 5.0003 5.0353 5.0355 5.5622 5.5624 6.2539 6.2564 7.4701 7.4737 8.6859 8.6881 8.9040 8.9066 9.1972 9.1980 9.2776 9.2785 9.3738 9.3745 9.5182 9.5190 9.9529 9.9543 11.1018 11.1020 11.6078 11.6088 k = 0.0000 0.5774-0.0000 ( 2196 PWs) bands (ev): -3.8449 -3.8449 -3.6895 -3.6895 2.6940 2.6940 4.1732 4.1732 5.0001 5.0001 5.0348 5.0348 5.5629 5.5629 6.2648 6.2648 7.4650 7.4650 8.6867 8.6867 8.9048 8.9048 9.1979 9.1979 9.2782 9.2782 9.3739 9.3739 9.5188 9.5188 9.9524 9.9524 11.1029 11.1029 11.6151 11.6151 k = 0.0000 0.5774-0.0000 ( 2196 PWs) bands (ev): -3.8449 -3.8449 -3.6895 -3.6895 2.6940 2.6940 4.1732 4.1732 5.0001 5.0001 5.0348 5.0348 5.5629 5.5629 6.2648 6.2648 7.4650 7.4650 8.6867 8.6867 8.9048 8.9048 9.1979 9.1979 9.2782 9.2782 9.3739 9.3739 9.5188 9.5188 9.9524 9.9524 11.1029 11.1029 11.6151 11.6151 k = 0.0000 0.5774 0.0111 ( 2196 PWs) bands (ev): -3.8447 -3.8447 -3.6896 -3.6895 2.6940 2.6940 4.1672 4.1674 5.0013 5.0017 5.0399 5.0399 5.5630 5.5636 6.2637 6.2639 7.4663 7.4666 8.6843 8.6883 8.9053 8.9083 9.1979 9.1981 9.2783 9.2784 9.3730 9.3746 9.5180 9.5189 9.9535 9.9536 11.1030 11.1031 11.6112 11.6114 k = 0.0000 0.5774 0.0221 ( 2192 PWs) bands (ev): -3.8443 -3.8442 -3.6898 -3.6897 2.6940 2.6941 4.1498 4.1502 5.0051 5.0061 5.0547 5.0549 5.5639 5.5650 6.2607 6.2611 7.4705 7.4711 8.6813 8.6890 8.9098 8.9155 9.1983 9.1986 9.2786 9.2789 9.3721 9.3752 9.5166 9.5184 9.9568 9.9570 11.1034 11.1037 11.5999 11.6003 k = 0.0000 0.5774 0.0332 ( 2194 PWs) bands (ev): -3.8434 -3.8433 -3.6903 -3.6901 2.6941 2.6941 4.1223 4.1229 5.0116 5.0132 5.0780 5.0783 5.5656 5.5672 6.2558 6.2563 7.4775 7.4784 8.6779 8.6887 8.9184 8.9263 9.1988 9.1994 9.2792 9.2796 9.3710 9.3756 9.5144 9.5170 9.9624 9.9626 11.1041 11.1045 11.5814 11.5818 k = 0.0000 0.5774 0.0442 ( 2190 PWs) bands (ev): -3.8423 -3.8421 -3.6909 -3.6907 2.6943 2.6943 4.0865 4.0871 5.0207 5.0228 5.1082 5.1085 5.5680 5.5702 6.2491 6.2497 7.4874 7.4885 8.6740 8.6875 8.9309 8.9405 9.1997 9.2004 9.2801 9.2806 9.3698 9.3761 9.5116 9.5151 9.9702 9.9706 11.1053 11.1058 11.5558 11.5564 k = 0.0000 0.5774 0.0553 ( 2188 PWs) bands (ev): -3.8408 -3.8405 -3.6917 -3.6914 2.6946 2.6947 4.0440 4.0448 5.0323 5.0350 5.1433 5.1437 5.5712 5.5739 6.2405 6.2413 7.5000 7.5015 8.6698 8.6853 8.9471 8.9576 9.2009 9.2017 9.2813 9.2819 9.3684 9.3764 9.5082 9.5125 9.9803 9.9807 11.1068 11.1075 11.5237 11.5243 k = 0.0000 0.5774 0.0664 ( 2172 PWs) bands (ev): -3.8390 -3.8387 -3.6927 -3.6924 2.6952 2.6953 3.9965 3.9974 5.0462 5.0495 5.1817 5.1821 5.5752 5.5784 6.2302 6.2312 7.5153 7.5171 8.6653 8.6822 8.9669 8.9777 9.2024 9.2034 9.2828 9.2836 9.3671 9.3768 9.5045 9.5096 9.9927 9.9932 11.1089 11.1096 11.4854 11.4862 k = 0.0000 0.5774 0.0774 ( 2168 PWs) bands (ev): -3.8369 -3.8365 -3.6938 -3.6934 2.6961 2.6962 3.9453 3.9462 5.0625 5.0663 5.2220 5.2224 5.5799 5.5837 6.2183 6.2195 7.5333 7.5353 8.6602 8.6781 8.9898 9.0003 9.2041 9.2053 9.2845 9.2855 9.3657 9.3772 9.5002 9.5061 10.0073 10.0079 11.1114 11.1121 11.4416 11.4424 k = 0.0000 0.5774 0.0885 ( 2174 PWs) bands (ev): -3.8344 -3.8341 -3.6951 -3.6947 2.6975 2.6976 3.8915 3.8925 5.0808 5.0851 5.2630 5.2634 5.5854 5.5897 6.2049 6.2062 7.5537 7.5561 8.6544 8.6728 9.0155 9.0252 9.2060 9.2074 9.2864 9.2875 9.3642 9.3777 9.4957 9.5022 10.0241 10.0247 11.1142 11.1149 11.3927 11.3935 k = 0.0000 0.5774 0.0996 ( 2176 PWs) bands (ev): -3.8317 -3.8313 -3.6967 -3.6962 2.6995 2.6995 3.8360 3.8370 5.1011 5.1059 5.3038 5.3041 5.5917 5.5965 6.1901 6.1916 7.5766 7.5792 8.6480 8.6666 9.0437 9.0520 9.2083 9.2098 9.2884 9.2898 9.3627 9.3783 9.4913 9.4983 10.0433 10.0439 11.1173 11.1180 11.3394 11.3401 k = 0.0000 0.5774 0.1106 ( 2172 PWs) bands (ev): -3.8288 -3.8283 -3.6983 -3.6978 2.7022 2.7022 3.7795 3.7805 5.1231 5.1285 5.3436 5.3438 5.5987 5.6040 6.1741 6.1757 7.6019 7.6048 8.6406 8.6591 9.0738 9.0804 9.2109 9.2124 9.2908 9.2924 9.3615 9.3792 9.4872 9.4946 10.0649 10.0656 11.1204 11.1210 11.2823 11.2829 k = 0.0000 0.5774 0.1217 ( 2172 PWs) bands (ev): -3.8255 -3.8250 -3.7002 -3.6996 2.7057 2.7057 3.7225 3.7235 5.1467 5.1525 5.3817 5.3818 5.6065 5.6123 6.1568 6.1586 7.6294 7.6326 8.6321 8.6503 9.1053 9.1096 9.2140 9.2154 9.2933 9.2951 9.3605 9.3805 9.4839 9.4914 10.0887 10.0894 11.1230 11.1233 11.2223 11.2225 k = 0.0000 0.5774 0.1327 ( 2168 PWs) bands (ev): -3.8221 -3.8215 -3.7023 -3.7017 2.7101 2.7102 3.6655 3.6665 5.1716 5.1779 5.4176 5.4177 5.6152 5.6214 6.1386 6.1406 7.6590 7.6624 8.6222 8.6400 9.1372 9.1391 9.2178 9.2189 9.2960 9.2981 9.3602 9.3823 9.4820 9.4891 10.1148 10.1156 11.1211 11.1225 11.1619 11.1633 k = 0.0000 0.5774 0.1438 ( 2174 PWs) bands (ev): -3.8184 -3.8178 -3.7045 -3.7039 2.7157 2.7157 3.6089 3.6099 5.1977 5.2045 5.4508 5.4511 5.6245 5.6312 6.1194 6.1216 7.6905 7.6942 8.6108 8.6280 9.1672 9.1674 9.2228 9.2230 9.2988 9.3013 9.3607 9.3845 9.4825 9.4884 10.1432 10.1440 11.0834 11.0861 11.1336 11.1363 k = 0.0000 0.5774 0.1549 ( 2178 PWs) bands (ev): -3.8145 -3.8138 -3.7070 -3.7063 2.7224 2.7225 3.5530 3.5540 5.2247 5.2319 5.4811 5.4816 5.6345 5.6417 6.0995 6.1019 7.7238 7.7278 8.5976 8.6141 9.1922 9.1929 9.2284 9.2309 9.3019 9.3047 9.3625 9.3869 9.4871 9.4906 10.1739 10.1748 11.0181 11.0199 11.1313 11.1330 k = 0.0000 0.5774 0.1659 ( 2174 PWs) bands (ev): -3.8104 -3.8097 -3.7096 -3.7089 2.7305 2.7306 3.4980 3.4990 5.2524 5.2600 5.5081 5.5090 5.6455 5.6530 6.0790 6.0816 7.7587 7.7631 8.5824 8.5983 9.2092 9.2110 9.2369 9.2445 9.3052 9.3086 9.3661 9.3889 9.4974 9.4977 10.2068 10.2078 10.9488 10.9504 11.1284 11.1297 k = 0.0000 0.5774 0.1770 ( 2170 PWs) bands (ev): -3.8062 -3.8054 -3.7125 -3.7117 2.7401 2.7402 3.4441 3.4451 5.2806 5.2885 5.5318 5.5330 5.6570 5.6650 6.0579 6.0608 7.7952 7.7998 8.5653 8.5805 9.2178 9.2218 9.2491 9.2596 9.3087 9.3128 9.3710 9.3899 9.5109 9.5159 10.2418 10.2430 10.8778 10.8793 11.1225 11.1235 k = 0.0000 0.5774 0.1881 ( 2172 PWs) bands (ev): -3.8018 -3.8010 -3.7155 -3.7147 2.7512 2.7514 3.3917 3.3926 5.3090 5.3172 5.5518 5.5534 5.6693 5.6776 6.0365 6.0397 7.8328 7.8377 8.5458 8.5603 9.2235 9.2282 9.2609 9.2710 9.3126 9.3174 9.3760 9.3895 9.5333 9.5426 10.2789 10.2803 10.8057 10.8072 11.1126 11.1132 k = 0.0000 0.5774 0.1991 ( 2168 PWs) bands (ev): -3.7973 -3.7965 -3.7187 -3.7179 2.7640 2.7642 3.3407 3.3417 5.3374 5.3460 5.5682 5.5702 5.6822 5.6909 6.0148 6.0184 7.8717 7.8769 8.5242 8.5379 9.2281 9.2332 9.2696 9.2775 9.3167 9.3221 9.3797 9.3878 9.5652 9.5773 10.3178 10.3197 10.7330 10.7347 11.0978 11.0981 k = 0.0000 0.5774 0.2102 ( 2168 PWs) bands (ev): -3.7927 -3.7918 -3.7221 -3.7212 2.7786 2.7788 3.2914 3.2923 5.3656 5.3744 5.5809 5.5833 5.6958 5.7047 5.9929 5.9969 7.9113 7.9169 8.5002 8.5133 9.2323 9.2376 9.2751 9.2805 9.3210 9.3267 9.3815 9.3853 9.6054 9.6186 10.3580 10.3609 10.6602 10.6625 11.0775 11.0776 k = 0.0000 0.5774 0.2212 ( 2160 PWs) bands (ev): -3.7880 -3.7871 -3.7256 -3.7248 2.7950 2.7953 3.2439 3.2447 5.3934 5.4023 5.5898 5.5928 5.7100 5.7192 5.9710 5.9755 7.9518 7.9576 8.4740 8.4864 9.2365 9.2419 9.2782 9.2813 9.3255 9.3312 9.3816 9.3823 9.6523 9.6655 10.3982 10.4032 10.5881 10.5922 11.0514 11.0518 k = 0.0000 0.5774 0.2323 ( 2156 PWs) bands (ev): -3.7832 -3.7824 -3.7294 -3.7285 2.8134 2.8137 3.1982 3.1990 5.4205 5.4295 5.5950 5.5986 5.7249 5.7342 5.9493 5.9543 7.9927 7.9989 8.4456 8.4574 9.2406 9.2460 9.2794 9.2805 9.3299 9.3355 9.3788 9.3802 9.7042 9.7168 10.4308 10.4426 10.5208 10.5314 11.0199 11.0206 k = 0.0000 0.5774 0.2434 ( 2160 PWs) bands (ev): -3.7785 -3.7776 -3.7333 -3.7324 2.8337 2.8341 3.1545 3.1553 5.4465 5.4556 5.5965 5.6008 5.7403 5.7497 5.9277 5.9333 8.0338 8.0403 8.4151 8.4262 9.2445 9.2499 9.2788 9.2793 9.3342 9.3398 9.3750 9.3780 9.7599 9.7717 10.4148 10.4285 10.5091 10.5211 10.9833 10.9844 k = 0.0000 0.5774 0.2544 ( 2164 PWs) bands (ev): -3.7737 -3.7728 -3.7373 -3.7364 2.8561 2.8566 3.1127 3.1135 5.4714 5.4804 5.5945 5.5995 5.7562 5.7656 5.9065 5.9127 8.0750 8.0819 8.3826 8.3931 9.2484 9.2538 9.2765 9.2782 9.3385 9.3440 9.3712 9.3751 9.8188 9.8296 10.3532 10.3618 10.5518 10.5581 10.9424 10.9438 k = 0.0000 0.5774 0.2655 ( 2162 PWs) bands (ev): -3.7689 -3.7680 -3.7415 -3.7406 2.8806 2.8811 3.0731 3.0739 5.4949 5.5037 5.5889 5.5947 5.7729 5.7822 5.8857 5.8925 8.1162 8.1235 8.3483 8.3583 9.2523 9.2577 9.2737 9.2764 9.3427 9.3483 9.3672 9.3718 9.8803 9.8901 10.2843 10.2915 10.6001 10.6045 10.8980 10.8997 k = 0.0000 0.5774 0.2766 ( 2170 PWs) bands (ev): -3.7642 -3.7632 -3.7458 -3.7449 2.9073 2.9078 3.0356 3.0363 5.5165 5.5251 5.5801 5.5865 5.7901 5.7992 5.8653 5.8727 8.1570 8.1647 8.3125 8.3219 9.2561 9.2613 9.2705 9.2740 9.3469 9.3524 9.3632 9.3682 9.9439 9.9529 10.2144 10.2214 10.6500 10.6535 10.8508 10.8528 k = 0.0000 0.5774 0.2876 ( 2172 PWs) bands (ev): -3.7595 -3.7585 -3.7503 -3.7494 2.9361 2.9367 3.0003 3.0010 5.5361 5.5443 5.5682 5.5753 5.8079 5.8168 5.8456 5.8535 8.1972 8.2053 8.2752 8.2842 9.2599 9.2648 9.2671 9.2713 9.3510 9.3565 9.3592 9.3645 10.0094 10.0176 10.1450 10.1521 10.7007 10.7036 10.8017 10.8040 k = 0.0000 0.5774 0.2987 ( 2164 PWs) bands (ev): -3.7548 -3.7548 -3.7539 -3.7539 2.9671 2.9671 2.9677 2.9677 5.5535 5.5535 5.5611 5.5611 5.8265 5.8265 5.8349 5.8349 8.2367 8.2367 8.2452 8.2452 9.2636 9.2636 9.2682 9.2682 9.3551 9.3551 9.3606 9.3606 10.0766 10.0766 10.0842 10.0842 10.7515 10.7515 10.7541 10.7541 k = 0.0000 0.5774 0.2987 ( 2164 PWs) bands (ev): -3.7548 -3.7548 -3.7539 -3.7539 2.9671 2.9671 2.9677 2.9677 5.5535 5.5535 5.5611 5.5611 5.8265 5.8265 5.8349 5.8349 8.2367 8.2367 8.2452 8.2452 9.2636 9.2636 9.2682 9.2682 9.3551 9.3551 9.3606 9.3606 10.0766 10.0766 10.0842 10.0842 10.7515 10.7515 10.7541 10.7541 k = 0.0108 0.5774 0.2987 ( 2176 PWs) bands (ev): -3.7545 -3.7545 -3.7536 -3.7536 2.9681 2.9681 2.9688 2.9688 5.5524 5.5524 5.5604 5.5604 5.8236 5.8236 5.8322 5.8322 8.2376 8.2376 8.2463 8.2463 9.2611 9.2611 9.2699 9.2699 9.3527 9.3527 9.3618 9.3618 10.0726 10.0726 10.0807 10.0807 10.7557 10.7557 10.7585 10.7585 k = 0.0215 0.5774 0.2987 ( 2172 PWs) bands (ev): -3.7536 -3.7536 -3.7526 -3.7526 2.9712 2.9712 2.9722 2.9722 5.5494 5.5494 5.5581 5.5581 5.8152 5.8152 5.8241 5.8241 8.2406 8.2406 8.2499 8.2499 9.2566 9.2566 9.2723 9.2723 9.3479 9.3479 9.3633 9.3633 10.0614 10.0614 10.0707 10.0707 10.7682 10.7682 10.7715 10.7715 k = 0.0323 0.5774 0.2987 ( 2168 PWs) bands (ev): -3.7521 -3.7521 -3.7509 -3.7509 2.9764 2.9764 2.9776 2.9776 5.5440 5.5440 5.5540 5.5540 5.8016 5.8016 5.8112 5.8112 8.2455 8.2455 8.2557 8.2557 9.2511 9.2511 9.2739 9.2739 9.3418 9.3418 9.3639 9.3639 10.0441 10.0441 10.0550 10.0550 10.7879 10.7879 10.7918 10.7918 k = 0.0430 0.5774 0.2987 ( 2172 PWs) bands (ev): -3.7499 -3.7499 -3.7486 -3.7486 2.9837 2.9837 2.9852 2.9852 5.5358 5.5358 5.5476 5.5476 5.7834 5.7834 5.7939 5.7939 8.2523 8.2523 8.2636 8.2636 9.2448 9.2448 9.2746 9.2746 9.3347 9.3347 9.3635 9.3635 10.0222 10.0222 10.0348 10.0348 10.8135 10.8135 10.8177 10.8177 k = 0.0538 0.5774 0.2987 ( 2168 PWs) bands (ev): -3.7472 -3.7472 -3.7457 -3.7457 2.9932 2.9932 2.9950 2.9950 5.5242 5.5242 5.5381 5.5381 5.7618 5.7618 5.7734 5.7734 8.2610 8.2610 8.2735 8.2735 9.2377 9.2377 9.2742 9.2742 9.3271 9.3271 9.3621 9.3621 9.9975 9.9975 10.0116 10.0116 10.8433 10.8433 10.8480 10.8480 k = 0.0645 0.5774 0.2987 ( 2174 PWs) bands (ev): -3.7439 -3.7439 -3.7422 -3.7422 3.0047 3.0047 3.0068 3.0068 5.5079 5.5079 5.5242 5.5242 5.7382 5.7382 5.7511 5.7511 8.2713 8.2713 8.2850 8.2850 9.2298 9.2298 9.2722 9.2722 9.3194 9.3194 9.3599 9.3599 9.9712 9.9712 9.9865 9.9865 10.8761 10.8761 10.8810 10.8810 k = 0.0753 0.5774 0.2987 ( 2174 PWs) bands (ev): -3.7400 -3.7400 -3.7381 -3.7381 3.0183 3.0183 3.0208 3.0208 5.4859 5.4859 5.5045 5.5045 5.7144 5.7144 5.7285 5.7285 8.2833 8.2833 8.2983 8.2983 9.2211 9.2211 9.2679 9.2679 9.3125 9.3125 9.3570 9.3570 9.9444 9.9444 9.9608 9.9608 10.9106 10.9106 10.9158 10.9158 k = 0.0860 0.5774 0.2987 ( 2174 PWs) bands (ev): -3.7356 -3.7356 -3.7335 -3.7335 3.0340 3.0340 3.0368 3.0368 5.4569 5.4569 5.4775 5.4775 5.6923 5.6923 5.7073 5.7073 8.2968 8.2968 8.3129 8.3129 9.2115 9.2115 9.2607 9.2607 9.3072 9.3072 9.3536 9.3536 9.9178 9.9178 9.9353 9.9353 10.9459 10.9459 10.9514 10.9514 k = 0.0968 0.5774 0.2987 ( 2176 PWs) bands (ev): -3.7306 -3.7306 -3.7284 -3.7284 3.0518 3.0518 3.0549 3.0549 5.4203 5.4203 5.4421 5.4421 5.6735 5.6735 5.6887 5.6887 8.3116 8.3116 8.3287 8.3287 9.2009 9.2009 9.2505 9.2505 9.3036 9.3036 9.3501 9.3501 9.8921 9.8921 9.9105 9.9105 10.9812 10.9812 10.9872 10.9872 k = 0.1075 0.5774 0.2987 ( 2184 PWs) bands (ev): -3.7253 -3.7253 -3.7228 -3.7228 3.0717 3.0717 3.0751 3.0751 5.3760 5.3760 5.3984 5.3984 5.6583 5.6583 5.6730 5.6730 8.3274 8.3274 8.3456 8.3456 9.1894 9.1894 9.2376 9.2376 9.3016 9.3016 9.3465 9.3465 9.8674 9.8674 9.8868 9.8868 11.0162 11.0162 11.0227 11.0227 k = 0.1183 0.5774 0.2987 ( 2180 PWs) bands (ev): -3.7194 -3.7194 -3.7168 -3.7168 3.0936 3.0936 3.0973 3.0973 5.3248 5.3248 5.3472 5.3472 5.6464 5.6464 5.6602 5.6602 8.3443 8.3443 8.3633 8.3633 9.1769 9.1769 9.2229 9.2229 9.3008 9.3008 9.3435 9.3435 9.8442 9.8442 9.8646 9.8646 11.0504 11.0504 11.0575 11.0575 k = 0.1290 0.5774 0.2987 ( 2180 PWs) bands (ev): -3.7132 -3.7132 -3.7104 -3.7104 3.1175 3.1175 3.1215 3.1215 5.2675 5.2675 5.2897 5.2897 5.6370 5.6370 5.6498 5.6498 8.3619 8.3619 8.3818 8.3818 9.1635 9.1635 9.2068 9.2068 9.3009 9.3009 9.3411 9.3411 9.8224 9.8224 9.8438 9.8438 11.0835 11.0835 11.0913 11.0913 k = 0.1398 0.5774 0.2987 ( 2172 PWs) bands (ev): -3.7066 -3.7066 -3.7036 -3.7036 3.1434 3.1434 3.1477 3.1477 5.2053 5.2053 5.2272 5.2272 5.6294 5.6294 5.6412 5.6412 8.3802 8.3802 8.4008 8.4008 9.1493 9.1493 9.1896 9.1896 9.3018 9.3018 9.3396 9.3396 9.8019 9.8019 9.8244 9.8244 11.1155 11.1155 11.1240 11.1240 k = 0.1505 0.5774 0.2987 ( 2172 PWs) bands (ev): -3.6998 -3.6998 -3.6966 -3.6966 3.1713 3.1713 3.1758 3.1758 5.1391 5.1391 5.1606 5.1606 5.6232 5.6232 5.6340 5.6340 8.3989 8.3989 8.4201 8.4201 9.1343 9.1343 9.1717 9.1717 9.3033 9.3033 9.3391 9.3391 9.7826 9.7826 9.8065 9.8065 11.1462 11.1462 11.1554 11.1554 k = 0.1613 0.5774 0.2987 ( 2176 PWs) bands (ev): -3.6927 -3.6927 -3.6894 -3.6894 3.2011 3.2011 3.2059 3.2059 5.0696 5.0696 5.0909 5.0909 5.6178 5.6178 5.6278 5.6278 8.4178 8.4178 8.4396 8.4396 9.1187 9.1187 9.1532 9.1532 9.3056 9.3056 9.3398 9.3398 9.7644 9.7644 9.7897 9.7897 11.1756 11.1756 11.1855 11.1855 k = 0.1720 0.5774 0.2987 ( 2176 PWs) bands (ev): -3.6855 -3.6855 -3.6819 -3.6819 3.2328 3.2328 3.2378 3.2378 4.9977 4.9977 5.0186 5.0186 5.6132 5.6132 5.6224 5.6224 8.4369 8.4369 8.4593 8.4593 9.1027 9.1027 9.1345 9.1345 9.3086 9.3086 9.3417 9.3417 9.7472 9.7472 9.7742 9.7742 11.2036 11.2036 11.2143 11.2143 k = 0.1828 0.5774 0.2987 ( 2184 PWs) bands (ev): -3.6781 -3.6781 -3.6744 -3.6744 3.2663 3.2663 3.2716 3.2716 4.9239 4.9239 4.9446 4.9446 5.6091 5.6091 5.6176 5.6176 8.4561 8.4561 8.4789 8.4789 9.0863 9.0863 9.1156 9.1156 9.3123 9.3123 9.3448 9.3448 9.7307 9.7307 9.7594 9.7594 11.2302 11.2302 11.2416 11.2416 k = 0.1935 0.5774 0.2987 ( 2188 PWs) bands (ev): -3.6707 -3.6707 -3.6669 -3.6669 3.3017 3.3017 3.3071 3.3071 4.8488 4.8488 4.8693 4.8693 5.6054 5.6054 5.6133 5.6133 8.4750 8.4750 8.4984 8.4984 9.0698 9.0698 9.0968 9.0968 9.3169 9.3169 9.3492 9.3492 9.7150 9.7150 9.7456 9.7456 11.2554 11.2554 11.2675 11.2675 k = 0.2043 0.5774 0.2987 ( 2188 PWs) bands (ev): -3.6634 -3.6634 -3.6594 -3.6594 3.3388 3.3388 3.3444 3.3444 4.7729 4.7729 4.7933 4.7933 5.6020 5.6020 5.6095 5.6095 8.4938 8.4938 8.5175 8.5175 9.0535 9.0535 9.0782 9.0782 9.3223 9.3223 9.3548 9.3548 9.6997 9.6997 9.7325 9.7325 11.2793 11.2793 11.2920 11.2920 k = 0.2151 0.5774 0.2987 ( 2188 PWs) bands (ev): -3.6561 -3.6561 -3.6520 -3.6520 3.3777 3.3777 3.3834 3.3834 4.6968 4.6968 4.7171 4.7171 5.5990 5.5990 5.6060 5.6060 8.5122 8.5122 8.5363 8.5363 9.0373 9.0373 9.0600 9.0600 9.3286 9.3286 9.3616 9.3616 9.6849 9.6849 9.7200 9.7200 11.3017 11.3017 11.3150 11.3150 k = 0.2258 0.5774 0.2987 ( 2186 PWs) bands (ev): -3.6490 -3.6490 -3.6448 -3.6448 3.4182 3.4182 3.4240 3.4240 4.6208 4.6208 4.6411 4.6411 5.5963 5.5963 5.6030 5.6030 8.5300 8.5300 8.5546 8.5546 9.0216 9.0216 9.0424 9.0424 9.3355 9.3355 9.3694 9.3694 9.6704 9.6704 9.7079 9.7079 11.3226 11.3226 11.3365 11.3365 k = 0.2366 0.5774 0.2987 ( 2190 PWs) bands (ev): -3.6422 -3.6422 -3.6379 -3.6379 3.4602 3.4602 3.4660 3.4660 4.5455 4.5455 4.5658 4.5658 5.5938 5.5938 5.6002 5.6002 8.5470 8.5470 8.5721 8.5721 9.0063 9.0063 9.0254 9.0254 9.3431 9.3431 9.3782 9.3782 9.6561 9.6561 9.6963 9.6963 11.3420 11.3420 11.3564 11.3564 k = 0.2473 0.5774 0.2987 ( 2190 PWs) bands (ev): -3.6358 -3.6358 -3.6313 -3.6313 3.5037 3.5037 3.5094 3.5094 4.4712 4.4712 4.4916 4.4916 5.5916 5.5916 5.5977 5.5977 8.5632 8.5632 8.5888 8.5888 8.9918 8.9918 9.0093 9.0093 9.3512 9.3512 9.3880 9.3880 9.6419 9.6419 9.6852 9.6852 11.3598 11.3598 11.3747 11.3747 k = 0.2581 0.5774 0.2987 ( 2182 PWs) bands (ev): -3.6298 -3.6298 -3.6252 -3.6252 3.5486 3.5486 3.5540 3.5540 4.3984 4.3984 4.4191 4.4191 5.5897 5.5897 5.5955 5.5955 8.5783 8.5783 8.6044 8.6044 8.9782 8.9782 8.9943 8.9943 9.3597 9.3597 9.3986 9.3986 9.6278 9.6278 9.6746 9.6746 11.3759 11.3759 11.3913 11.3913 k = 0.2688 0.5774 0.2987 ( 2182 PWs) bands (ev): -3.6243 -3.6243 -3.6196 -3.6196 3.5945 3.5945 3.5995 3.5995 4.3275 4.3275 4.3487 4.3487 5.5880 5.5880 5.5937 5.5937 8.5920 8.5920 8.6187 8.6187 8.9658 8.9658 8.9807 8.9807 9.3682 9.3682 9.4098 9.4098 9.6139 9.6139 9.6644 9.6644 11.3902 11.3902 11.4059 11.4059 k = 0.2796 0.5774 0.2987 ( 2182 PWs) bands (ev): -3.6194 -3.6194 -3.6147 -3.6147 3.6411 3.6411 3.6456 3.6456 4.2592 4.2592 4.2811 4.2811 5.5866 5.5866 5.5921 5.5921 8.6041 8.6041 8.6315 8.6315 8.9546 8.9546 8.9688 8.9688 9.3766 9.3766 9.4215 9.4215 9.6000 9.6000 9.6549 9.6549 11.4025 11.4025 11.4186 11.4186 k = 0.2903 0.5774 0.2987 ( 2182 PWs) bands (ev): -3.6152 -3.6152 -3.6104 -3.6104 3.6880 3.6880 3.6914 3.6914 4.1942 4.1942 4.2173 4.2173 5.5855 5.5855 5.5909 5.5909 8.6142 8.6142 8.6424 8.6424 8.9450 8.9450 8.9590 8.9590 9.3846 9.3846 9.4334 9.4334 9.5864 9.5864 9.6463 9.6463 11.4128 11.4128 11.4291 11.4291 k = 0.3011 0.5774 0.2987 ( 2186 PWs) bands (ev): -3.6118 -3.6118 -3.6070 -3.6070 3.7337 3.7337 3.7360 3.7360 4.1339 4.1339 4.1587 4.1587 5.5846 5.5846 5.5899 5.5899 8.6222 8.6222 8.6511 8.6511 8.9373 8.9373 8.9514 8.9514 9.3917 9.3917 9.4450 9.4450 9.5734 9.5734 9.6387 9.6387 11.4209 11.4209 11.4374 11.4374 k = 0.3118 0.5774 0.2987 ( 2182 PWs) bands (ev): -3.6093 -3.6093 -3.6044 -3.6044 3.7749 3.7749 3.7777 3.7777 4.0807 4.0807 4.1083 4.1083 5.5841 5.5841 5.5894 5.5894 8.6277 8.6277 8.6574 8.6574 8.9318 8.9318 8.9466 8.9466 9.3976 9.3976 9.4557 9.4557 9.5617 9.5617 9.6326 9.6326 11.4266 11.4266 11.4433 11.4433 k = 0.3226 0.5774 0.2987 ( 2188 PWs) bands (ev): -3.6077 -3.6077 -3.6028 -3.6028 3.8053 3.8053 3.8113 3.8113 4.0406 4.0406 4.0718 4.0718 5.5838 5.5838 5.5891 5.5891 8.6305 8.6305 8.6608 8.6608 8.9286 8.9286 8.9443 8.9443 9.4018 9.4018 9.4643 9.4643 9.5522 9.5522 9.6282 9.6282 11.4298 11.4298 11.4466 11.4466 k = 0.3333 0.5774 0.2987 ( 2196 PWs) bands (ev): -3.6072 -3.6072 -3.6023 -3.6023 3.8166 3.8166 3.8247 3.8247 4.0252 4.0252 4.0585 4.0585 5.5839 5.5839 5.5891 5.5891 8.6307 8.6307 8.6614 8.6614 8.9280 8.9280 8.9447 8.9447 9.4039 9.4039 9.4684 9.4684 9.5470 9.5470 9.6257 9.6257 11.4303 11.4303 11.4473 11.4473 k = 0.3333 0.5774 0.2987 ( 2196 PWs) bands (ev): -3.6072 -3.6072 -3.6023 -3.6023 3.8166 3.8166 3.8247 3.8247 4.0252 4.0252 4.0585 4.0585 5.5839 5.5839 5.5891 5.5891 8.6307 8.6307 8.6614 8.6614 8.9280 8.9280 8.9447 8.9447 9.4039 9.4039 9.4684 9.4684 9.5470 9.5470 9.6257 9.6257 11.4303 11.4303 11.4473 11.4473 k = 0.3279 0.5679 0.2987 ( 2192 PWs) bands (ev): -3.6077 -3.6077 -3.6029 -3.6029 3.8061 3.8061 3.8120 3.8120 4.0398 4.0398 4.0711 4.0711 5.5835 5.5835 5.5888 5.5888 8.6317 8.6317 8.6615 8.6615 8.9278 8.9278 8.9423 8.9423 9.4007 9.4007 9.4626 9.4626 9.5546 9.5546 9.6296 9.6296 11.4305 11.4305 11.4473 11.4473 k = 0.3224 0.5584 0.2987 ( 2192 PWs) bands (ev): -3.6095 -3.6095 -3.6047 -3.6047 3.7780 3.7780 3.7804 3.7804 4.0780 4.0780 4.1059 4.1059 5.5835 5.5835 5.5887 5.5887 8.6302 8.6302 8.6588 8.6588 8.9300 8.9300 8.9419 8.9419 9.3954 9.3954 9.4525 9.4525 9.5667 9.5667 9.6356 9.6356 11.4276 11.4276 11.4442 11.4442 k = 0.3169 0.5490 0.2987 ( 2192 PWs) bands (ev): -3.6126 -3.6126 -3.6078 -3.6078 3.7416 3.7416 3.7430 3.7430 4.1277 4.1277 4.1529 4.1529 5.5838 5.5838 5.5890 5.5890 8.6264 8.6264 8.6535 8.6535 8.9343 8.9343 8.9435 8.9435 9.3883 9.3883 9.4401 9.4401 9.5812 9.5812 9.6436 9.6436 11.4213 11.4213 11.4377 11.4377 k = 0.3115 0.5395 0.2987 ( 2192 PWs) bands (ev): -3.6171 -3.6171 -3.6123 -3.6123 3.7028 3.7028 3.7056 3.7056 4.1828 4.1828 4.2063 4.2063 5.5844 5.5844 5.5896 5.5896 8.6206 8.6206 8.6461 8.6461 8.9400 8.9400 8.9467 8.9467 9.3799 9.3799 9.4268 9.4268 9.5968 9.5968 9.6531 9.6531 11.4118 11.4118 11.4279 11.4279 k = 0.3060 0.5300 0.2987 ( 2180 PWs) bands (ev): -3.6230 -3.6230 -3.6183 -3.6183 3.6657 3.6657 3.6695 3.6695 4.2410 4.2410 4.2635 4.2635 5.5854 5.5854 5.5906 5.5906 8.6131 8.6131 8.6371 8.6371 8.9464 8.9464 8.9513 8.9513 9.3706 9.3706 9.4132 9.4132 9.6132 9.6132 9.6639 9.6639 11.3988 11.3988 11.4147 11.4147 k = 0.3005 0.5206 0.2987 ( 2176 PWs) bands (ev): -3.6304 -3.6304 -3.6258 -3.6258 3.6314 3.6314 3.6358 3.6358 4.3012 4.3012 4.3231 4.3231 5.5867 5.5867 5.5919 5.5919 8.6042 8.6042 8.6268 8.6268 8.9525 8.9525 8.9573 8.9573 9.3607 9.3607 9.3997 9.3997 9.6296 9.6296 9.6756 9.6756 11.3825 11.3825 11.3982 11.3982 k = 0.2951 0.5111 0.2987 ( 2176 PWs) bands (ev): -3.6393 -3.6393 -3.6347 -3.6347 3.6005 3.6005 3.6053 3.6053 4.3628 4.3628 4.3843 4.3843 5.5883 5.5883 5.5935 5.5935 8.5941 8.5941 8.6155 8.6155 8.9578 8.9578 8.9641 8.9641 9.3506 9.3506 9.3867 9.3867 9.6461 9.6461 9.6878 9.6878 11.3629 11.3629 11.3783 11.3783 k = 0.2896 0.5016 0.2987 ( 2172 PWs) bands (ev): -3.6498 -3.6498 -3.6453 -3.6453 3.5734 3.5734 3.5784 3.5784 4.4254 4.4254 4.4468 4.4468 5.5902 5.5902 5.5954 5.5954 8.5832 8.5832 8.6036 8.6036 8.9625 8.9625 8.9709 8.9709 9.3409 9.3409 9.3745 9.3745 9.6624 9.6624 9.7005 9.7005 11.3400 11.3400 11.3553 11.3553 k = 0.2842 0.4922 0.2987 ( 2172 PWs) bands (ev): -3.6618 -3.6618 -3.6574 -3.6574 3.5503 3.5503 3.5553 3.5553 4.4888 4.4888 4.5101 4.5101 5.5924 5.5924 5.5977 5.5977 8.5717 8.5717 8.5913 8.5913 8.9661 8.9661 8.9767 8.9767 9.3319 9.3319 9.3635 9.3635 9.6785 9.6785 9.7134 9.7134 11.3141 11.3141 11.3292 11.3292 k = 0.2787 0.4827 0.2987 ( 2174 PWs) bands (ev): -3.6754 -3.6754 -3.6712 -3.6712 3.5313 3.5313 3.5363 3.5363 4.5528 4.5528 4.5740 4.5740 5.5950 5.5950 5.6004 5.6004 8.5597 8.5597 8.5788 8.5788 8.9685 8.9685 8.9811 8.9811 9.3240 9.3240 9.3539 9.3539 9.6943 9.6943 9.7264 9.7264 11.2855 11.2855 11.3005 11.3005 k = 0.2732 0.4732 0.2987 ( 2174 PWs) bands (ev): -3.6906 -3.6906 -3.6865 -3.6865 3.5165 3.5165 3.5214 3.5214 4.6170 4.6170 4.6384 4.6384 5.5980 5.5980 5.6033 5.6033 8.5475 8.5475 8.5663 8.5663 8.9693 8.9693 8.9837 8.9837 9.3176 9.3176 9.3460 9.3460 9.7096 9.7096 9.7395 9.7395 11.2543 11.2543 11.2693 11.2693 k = 0.2678 0.4638 0.2987 ( 2182 PWs) bands (ev): -3.7074 -3.7074 -3.7034 -3.7034 3.5059 3.5059 3.5106 3.5106 4.6815 4.6815 4.7029 4.7029 5.6012 5.6012 5.6066 5.6066 8.5352 8.5352 8.5539 8.5539 8.9683 8.9683 8.9841 8.9841 9.3129 9.3129 9.3401 9.3401 9.7244 9.7244 9.7524 9.7524 11.2209 11.2209 11.2359 11.2359 k = 0.2623 0.4543 0.2987 ( 2178 PWs) bands (ev): -3.7257 -3.7257 -3.7218 -3.7218 3.4995 3.4995 3.5040 3.5040 4.7460 4.7460 4.7676 4.7676 5.6049 5.6049 5.6103 5.6103 8.5230 8.5230 8.5417 8.5417 8.9652 8.9652 8.9821 8.9821 9.3102 9.3102 9.3364 9.3364 9.7387 9.7387 9.7653 9.7653 11.1857 11.1857 11.2008 11.2008 k = 0.2568 0.4448 0.2987 ( 2174 PWs) bands (ev): -3.7455 -3.7455 -3.7417 -3.7417 3.4972 3.4972 3.5016 3.5016 4.8104 4.8104 4.8321 4.8321 5.6089 5.6089 5.6143 5.6143 8.5110 8.5110 8.5300 8.5300 8.9601 8.9601 8.9778 8.9778 9.3097 9.3097 9.3350 9.3350 9.7525 9.7525 9.7779 9.7779 11.1489 11.1489 11.1642 11.1642 k = 0.2514 0.4354 0.2987 ( 2174 PWs) bands (ev): -3.7668 -3.7668 -3.7632 -3.7632 3.4991 3.4991 3.5032 3.5032 4.8745 4.8745 4.8963 4.8963 5.6132 5.6132 5.6187 5.6187 8.4993 8.4993 8.5187 8.5187 8.9529 8.9529 8.9710 8.9710 9.3110 9.3110 9.3356 9.3356 9.7654 9.7654 9.7903 9.7903 11.1110 11.1110 11.1266 11.1266 k = 0.2459 0.4259 0.2987 ( 2172 PWs) bands (ev): -3.7894 -3.7894 -3.7860 -3.7860 3.5051 3.5051 3.5089 3.5089 4.9381 4.9381 4.9600 4.9600 5.6180 5.6180 5.6234 5.6234 8.4879 8.4879 8.5079 8.5079 8.9440 8.9440 8.9622 8.9622 9.3141 9.3141 9.3382 9.3382 9.7777 9.7777 9.8023 9.8023 11.0723 11.0723 11.0882 11.0882 k = 0.2404 0.4164 0.2987 ( 2176 PWs) bands (ev): -3.8135 -3.8135 -3.8102 -3.8102 3.5150 3.5150 3.5186 3.5186 5.0010 5.0010 5.0230 5.0230 5.6232 5.6232 5.6286 5.6286 8.4771 8.4771 8.4977 8.4977 8.9333 8.9333 8.9514 8.9514 9.3186 9.3186 9.3426 9.3426 9.7891 9.7891 9.8140 9.8140 11.0331 11.0331 11.0496 11.0496 k = 0.2350 0.4070 0.2987 ( 2180 PWs) bands (ev): -3.8388 -3.8388 -3.8356 -3.8356 3.5287 3.5287 3.5320 3.5320 5.0630 5.0630 5.0851 5.0851 5.6288 5.6288 5.6343 5.6343 8.4668 8.4668 8.4883 8.4883 8.9212 8.9212 8.9391 8.9391 9.3243 9.3243 9.3485 9.3485 9.7997 9.7997 9.8251 9.8251 10.9939 10.9939 11.0110 11.0110 k = 0.2295 0.3975 0.2987 ( 2184 PWs) bands (ev): -3.8653 -3.8653 -3.8623 -3.8623 3.5461 3.5461 3.5492 3.5492 5.1240 5.1240 5.1461 5.1461 5.6349 5.6349 5.6406 5.6406 8.4573 8.4573 8.4797 8.4797 8.9080 8.9080 8.9257 8.9257 9.3309 9.3309 9.3556 9.3556 9.8093 9.8093 9.8358 9.8358 10.9551 10.9551 10.9729 10.9729 k = 0.2240 0.3881 0.2987 ( 2176 PWs) bands (ev): -3.8929 -3.8929 -3.8900 -3.8900 3.5670 3.5670 3.5699 3.5699 5.1838 5.1838 5.2058 5.2058 5.6417 5.6417 5.6476 5.6476 8.4486 8.4486 8.4721 8.4721 8.8939 8.8939 8.9116 8.9116 9.3382 9.3382 9.3638 9.3638 9.8180 9.8180 9.8458 9.8458 10.9169 10.9169 10.9357 10.9357 k = 0.2186 0.3786 0.2987 ( 2172 PWs) bands (ev): -3.9215 -3.9215 -3.9188 -3.9188 3.5913 3.5913 3.5939 3.5939 5.2419 5.2419 5.2637 5.2637 5.6492 5.6492 5.6555 5.6555 8.4406 8.4406 8.4654 8.4654 8.8793 8.8793 8.8971 8.8971 9.3460 9.3460 9.3727 9.3727 9.8257 9.8257 9.8551 9.8551 10.8797 10.8797 10.8995 10.8995 k = 0.2131 0.3691 0.2987 ( 2172 PWs) bands (ev): -3.9510 -3.9510 -3.9485 -3.9485 3.6187 3.6187 3.6211 3.6211 5.2981 5.2981 5.3197 5.3197 5.6575 5.6575 5.6647 5.6647 8.4336 8.4336 8.4596 8.4596 8.8643 8.8643 8.8823 8.8823 9.3540 9.3540 9.3819 9.3819 9.8322 9.8322 9.8634 9.8634 10.8439 10.8439 10.8649 10.8649 k = 0.2077 0.3597 0.2987 ( 2164 PWs) bands (ev): -3.9813 -3.9813 -3.9789 -3.9789 3.6491 3.6491 3.6513 3.6513 5.3520 5.3520 5.3732 5.3732 5.6670 5.6670 5.6755 5.6755 8.4276 8.4276 8.4550 8.4550 8.8492 8.8492 8.8678 8.8678 9.3620 9.3620 9.3912 9.3912 9.8376 9.8376 9.8707 9.8707 10.8098 10.8098 10.8321 10.8321 k = 0.2022 0.3502 0.2987 ( 2164 PWs) bands (ev): -4.0124 -4.0124 -4.0101 -4.0101 3.6822 3.6822 3.6842 3.6842 5.4030 5.4030 5.4237 5.4237 5.6780 5.6780 5.6883 5.6883 8.4225 8.4225 8.4515 8.4515 8.8341 8.8341 8.8534 8.8534 9.3699 9.3699 9.4005 9.4005 9.8418 9.8418 9.8769 9.8769 10.7776 10.7776 10.8014 10.8014 k = 0.1967 0.3407 0.2987 ( 2160 PWs) bands (ev): -4.0440 -4.0440 -4.0419 -4.0419 3.7178 3.7178 3.7196 3.7196 5.4504 5.4504 5.4705 5.4705 5.6911 5.6911 5.7040 5.7040 8.4186 8.4186 8.4491 8.4491 8.8193 8.8193 8.8396 8.8396 9.3775 9.3775 9.4094 9.4094 9.8447 9.8447 9.8821 9.8821 10.7477 10.7477 10.7731 10.7731 k = 0.1913 0.3313 0.2987 ( 2168 PWs) bands (ev): -4.0762 -4.0762 -4.0742 -4.0742 3.7556 3.7556 3.7572 3.7572 5.4931 5.4931 5.5130 5.5130 5.7069 5.7069 5.7232 5.7232 8.4157 8.4157 8.4478 8.4478 8.8048 8.8048 8.8264 8.8264 9.3846 9.3846 9.4178 9.4178 9.8463 9.8463 9.8859 9.8859 10.7203 10.7203 10.7474 10.7474 k = 0.1858 0.3218 0.2987 ( 2172 PWs) bands (ev): -4.1087 -4.1087 -4.1069 -4.1069 3.7953 3.7953 3.7968 3.7968 5.5306 5.5306 5.5504 5.5504 5.7264 5.7264 5.7464 5.7464 8.4139 8.4139 8.4478 8.4478 8.7909 8.7909 8.8140 8.8140 9.3910 9.3910 9.4253 9.4253 9.8468 9.8468 9.8887 9.8887 10.6957 10.6957 10.7245 10.7245 k = 0.1803 0.3123 0.2987 ( 2176 PWs) bands (ev): -4.1416 -4.1416 -4.1398 -4.1398 3.8367 3.8367 3.8381 3.8381 5.5623 5.5623 5.5824 5.5824 5.7503 5.7503 5.7739 5.7739 8.4133 8.4133 8.4489 8.4489 8.7777 8.7777 8.8024 8.8024 9.3966 9.3966 9.4318 9.4318 9.8463 9.8463 9.8906 9.8906 10.6740 10.6740 10.7045 10.7045 k = 0.1749 0.3029 0.2987 ( 2176 PWs) bands (ev): -4.1746 -4.1746 -4.1730 -4.1730 3.8795 3.8795 3.8808 3.8808 5.5889 5.5889 5.6092 5.6092 5.7784 5.7784 5.8048 5.8048 8.4138 8.4138 8.4511 8.4511 8.7653 8.7653 8.7918 8.7918 9.4010 9.4010 9.4368 9.4368 9.8453 9.8453 9.8918 9.8918 10.6554 10.6554 10.6876 10.6876 k = 0.1694 0.2934 0.2987 ( 2176 PWs) bands (ev): -4.2076 -4.2076 -4.2062 -4.2062 3.9233 3.9233 3.9246 3.9246 5.6112 5.6112 5.6316 5.6316 5.8100 5.8100 5.8383 5.8383 8.4155 8.4155 8.4544 8.4544 8.7538 8.7538 8.7822 8.7822 9.4041 9.4041 9.4401 9.4401 9.8441 9.8441 9.8926 9.8926 10.6398 10.6398 10.6736 10.6736 k = 0.1639 0.2839 0.2987 ( 2176 PWs) bands (ev): -4.2407 -4.2407 -4.2393 -4.2393 3.9679 3.9679 3.9691 3.9691 5.6307 5.6307 5.6510 5.6510 5.8438 5.8438 5.8732 5.8732 8.4182 8.4182 8.4588 8.4588 8.7433 8.7433 8.7736 8.7736 9.4053 9.4053 9.4413 9.4413 9.8433 9.8433 9.8936 9.8936 10.6271 10.6271 10.6625 10.6625 k = 0.1585 0.2745 0.2987 ( 2176 PWs) bands (ev): -4.2736 -4.2736 -4.2723 -4.2723 4.0128 4.0128 4.0140 4.0140 5.6486 5.6486 5.6685 5.6685 5.8785 5.8785 5.9084 5.9084 8.4220 8.4220 8.4642 8.4642 8.7338 8.7338 8.7661 8.7661 9.4044 9.4044 9.4400 9.4400 9.8434 9.8434 9.8952 9.8952 10.6174 10.6174 10.6541 10.6541 k = 0.1530 0.2650 0.2987 ( 2172 PWs) bands (ev): -4.3063 -4.3063 -4.3051 -4.3051 4.0578 4.0578 4.0589 4.0589 5.6656 5.6656 5.6852 5.6852 5.9133 5.9133 5.9432 5.9432 8.4269 8.4269 8.4705 8.4705 8.7254 8.7254 8.7597 8.7597 9.4010 9.4010 9.4357 9.4357 9.8453 9.8453 9.8981 9.8981 10.6103 10.6103 10.6481 10.6481 k = 0.1475 0.2555 0.2987 ( 2172 PWs) bands (ev): -4.3386 -4.3386 -4.3376 -4.3376 4.1024 4.1024 4.1036 4.1036 5.6825 5.6825 5.7018 5.7018 5.9473 5.9473 5.9771 5.9771 8.4327 8.4327 8.4776 8.4776 8.7180 8.7180 8.7542 8.7542 9.3949 9.3949 9.4282 9.4282 9.8495 9.8495 9.9028 9.9028 10.6056 10.6056 10.6443 10.6443 k = 0.1421 0.2461 0.2987 ( 2174 PWs) bands (ev): -4.3706 -4.3706 -4.3696 -4.3696 4.1464 4.1464 4.1476 4.1476 5.6998 5.6998 5.7188 5.7188 5.9802 5.9802 6.0098 6.0098 8.4393 8.4393 8.4854 8.4854 8.7117 8.7117 8.7497 8.7497 9.3857 9.3857 9.4173 9.4173 9.8566 9.8566 9.9099 9.9099 10.6030 10.6030 10.6424 10.6424 k = 0.1366 0.2366 0.2987 ( 2174 PWs) bands (ev): -4.4020 -4.4020 -4.4011 -4.4011 4.1895 4.1895 4.1906 4.1906 5.7180 5.7180 5.7368 5.7368 6.0118 6.0118 6.0411 6.0411 8.4468 8.4468 8.4938 8.4938 8.7064 8.7064 8.7460 8.7460 9.3735 9.3735 9.4031 9.4031 9.8669 9.8669 9.9198 9.9198 10.6023 10.6023 10.6421 10.6421 k = 0.1311 0.2272 0.2987 ( 2178 PWs) bands (ev): -4.4328 -4.4328 -4.4320 -4.4320 4.2312 4.2312 4.2323 4.2323 5.7373 5.7373 5.7559 5.7559 6.0419 6.0419 6.0707 6.0707 8.4550 8.4550 8.5027 8.5027 8.7021 8.7021 8.7431 8.7431 9.3583 9.3583 9.3857 9.3857 9.8808 9.8808 9.9328 9.9328 10.6032 10.6032 10.6432 10.6432 k = 0.1257 0.2177 0.2987 ( 2180 PWs) bands (ev): -4.4630 -4.4630 -4.4623 -4.4623 4.2712 4.2712 4.2724 4.2724 5.7579 5.7579 5.7764 5.7764 6.0704 6.0704 6.0986 6.0986 8.4640 8.4640 8.5121 8.5121 8.6988 8.6988 8.7409 8.7409 9.3402 9.3402 9.3654 9.3654 9.8983 9.8983 9.9489 9.9489 10.6053 10.6053 10.6454 10.6454 k = 0.1202 0.2082 0.2987 ( 2172 PWs) bands (ev): -4.4924 -4.4924 -4.4918 -4.4918 4.3094 4.3094 4.3106 4.3106 5.7801 5.7801 5.7986 5.7986 6.0972 6.0972 6.1249 6.1249 8.4737 8.4737 8.5218 8.5218 8.6963 8.6963 8.7394 8.7394 9.3196 9.3196 9.3427 9.3427 9.9193 9.9193 9.9683 9.9683 10.6085 10.6085 10.6483 10.6483 k = 0.1148 0.1988 0.2987 ( 2172 PWs) bands (ev): -4.5211 -4.5211 -4.5204 -4.5204 4.3454 4.3454 4.3466 4.3466 5.8039 5.8039 5.8224 5.8224 6.1223 6.1223 6.1494 6.1494 8.4838 8.4838 8.5317 8.5317 8.6945 8.6945 8.7383 8.7383 9.2967 9.2967 9.3179 9.3179 9.9436 9.9436 9.9908 9.9908 10.6124 10.6124 10.6518 10.6518 k = 0.1093 0.1893 0.2987 ( 2174 PWs) bands (ev): -4.5488 -4.5488 -4.5482 -4.5482 4.3791 4.3791 4.3803 4.3803 5.8294 5.8294 5.8479 5.8479 6.1457 6.1457 6.1722 6.1722 8.4944 8.4944 8.5417 8.5417 8.6933 8.6933 8.7375 8.7375 9.2721 9.2721 9.2915 9.2915 9.9712 9.9712 10.0163 10.0163 10.6169 10.6169 10.6557 10.6557 k = 0.1038 0.1798 0.2987 ( 2174 PWs) bands (ev): -4.5755 -4.5755 -4.5750 -4.5750 4.4103 4.4103 4.4115 4.4115 5.8565 5.8565 5.8751 5.8751 6.1675 6.1675 6.1934 6.1934 8.5055 8.5055 8.5518 8.5518 8.6926 8.6926 8.7369 8.7369 9.2460 9.2460 9.2639 9.2639 10.0017 10.0017 10.0447 10.0447 10.6218 10.6218 10.6598 10.6598 k = 0.0984 0.1704 0.2987 ( 2166 PWs) bands (ev): -4.6013 -4.6013 -4.6008 -4.6008 4.4390 4.4390 4.4402 4.4402 5.8853 5.8853 5.9040 5.9040 6.1877 6.1877 6.2130 6.2130 8.5169 8.5169 8.5620 8.5620 8.6923 8.6923 8.7364 8.7364 9.2190 9.2190 9.2355 9.2355 10.0350 10.0350 10.0756 10.0756 10.6269 10.6269 10.6640 10.6640 k = 0.0929 0.1609 0.2987 ( 2174 PWs) bands (ev): -4.6260 -4.6260 -4.6255 -4.6255 4.4650 4.4650 4.4663 4.4663 5.9154 5.9154 5.9342 5.9342 6.2063 6.2063 6.2310 6.2310 8.5284 8.5284 8.5720 8.5720 8.6920 8.6920 8.7358 8.7358 9.1912 9.1912 9.2066 9.2066 10.0706 10.0706 10.1088 10.1088 10.6320 10.6320 10.6680 10.6680 k = 0.0874 0.1514 0.2987 ( 2170 PWs) bands (ev): -4.6495 -4.6495 -4.6491 -4.6491 4.4885 4.4885 4.4897 4.4897 5.9467 5.9467 5.9657 5.9657 6.2233 6.2233 6.2476 6.2476 8.5402 8.5402 8.5819 8.5819 8.6919 8.6919 8.7351 8.7351 9.1634 9.1634 9.1779 9.1779 10.1085 10.1085 10.1442 10.1442 10.6370 10.6370 10.6719 10.6719 k = 0.0820 0.1420 0.2987 ( 2158 PWs) bands (ev): -4.6719 -4.6719 -4.6715 -4.6715 4.5095 4.5095 4.5107 4.5107 5.9790 5.9790 5.9982 5.9982 6.2390 6.2390 6.2628 6.2628 8.5520 8.5520 8.5917 8.5917 8.6916 8.6916 8.7341 8.7341 9.1357 9.1357 9.1495 9.1495 10.1482 10.1482 10.1814 10.1814 10.6420 10.6420 10.6756 10.6756 k = 0.0765 0.1325 0.2987 ( 2154 PWs) bands (ev): -4.6930 -4.6930 -4.6927 -4.6927 4.5280 4.5280 4.5293 4.5293 6.0119 6.0119 6.0313 6.0313 6.2533 6.2533 6.2766 6.2766 8.5637 8.5637 8.6011 8.6011 8.6912 8.6912 8.7327 8.7327 9.1085 9.1085 9.1217 9.1217 10.1893 10.1893 10.2199 10.2199 10.6467 10.6467 10.6789 10.6789 k = 0.0710 0.1230 0.2987 ( 2158 PWs) bands (ev): -4.7129 -4.7129 -4.7126 -4.7126 4.5443 4.5443 4.5455 4.5455 6.0449 6.0449 6.0646 6.0646 6.2662 6.2662 6.2892 6.2892 8.5752 8.5752 8.6100 8.6100 8.6904 8.6904 8.7308 8.7308 9.0820 9.0820 9.0948 9.0948 10.2315 10.2315 10.2593 10.2593 10.6511 10.6511 10.6819 10.6819 k = 0.0656 0.1136 0.2987 ( 2162 PWs) bands (ev): -4.7314 -4.7314 -4.7312 -4.7312 4.5585 4.5585 4.5596 4.5596 6.0777 6.0777 6.0978 6.0978 6.2778 6.2778 6.3007 6.3007 8.5864 8.5864 8.6184 8.6184 8.6892 8.6892 8.7283 8.7283 9.0568 9.0568 9.0692 9.0692 10.2742 10.2742 10.2994 10.2994 10.6551 10.6551 10.6844 10.6844 k = 0.0601 0.1041 0.2987 ( 2154 PWs) bands (ev): -4.7486 -4.7486 -4.7484 -4.7484 4.5707 4.5707 4.5718 4.5718 6.1100 6.1100 6.1305 6.1305 6.2884 6.2884 6.3111 6.3111 8.5971 8.5971 8.6263 8.6263 8.6877 8.6877 8.7255 8.7255 9.0332 9.0332 9.0452 9.0452 10.3172 10.3172 10.3395 10.3395 10.6589 10.6589 10.6865 10.6865 k = 0.0546 0.0946 0.2987 ( 2158 PWs) bands (ev): -4.7644 -4.7644 -4.7642 -4.7642 4.5812 4.5812 4.5822 4.5822 6.1411 6.1411 6.1621 6.1621 6.2977 6.2977 6.3206 6.3206 8.6071 8.6071 8.6334 8.6334 8.6858 8.6858 8.7220 8.7220 9.0113 9.0113 9.0230 9.0230 10.3597 10.3597 10.3793 10.3793 10.6621 10.6621 10.6880 10.6880 k = 0.0492 0.0852 0.2987 ( 2162 PWs) bands (ev): -4.7788 -4.7788 -4.7786 -4.7786 4.5901 4.5901 4.5910 4.5910 6.1707 6.1707 6.1923 6.1923 6.3060 6.3060 6.3291 6.3291 8.6161 8.6161 8.6398 8.6398 8.6835 8.6835 8.7183 8.7183 8.9915 8.9915 9.0027 9.0027 10.4013 10.4013 10.4181 10.4181 10.6648 10.6648 10.6891 10.6891 k = 0.0437 0.0757 0.2987 ( 2162 PWs) bands (ev): -4.7918 -4.7918 -4.7916 -4.7916 4.5976 4.5976 4.5984 4.5984 6.1983 6.1983 6.2207 6.2207 6.3133 6.3133 6.3369 6.3369 8.6238 8.6238 8.6453 8.6453 8.6811 8.6811 8.7144 8.7144 8.9740 8.9740 8.9845 8.9845 10.4415 10.4415 10.4554 10.4554 10.6670 10.6670 10.6896 10.6896 k = 0.0383 0.0663 0.2987 ( 2158 PWs) bands (ev): -4.8033 -4.8033 -4.8031 -4.8031 4.6038 4.6038 4.6045 4.6045 6.2235 6.2235 6.2466 6.2466 6.3199 6.3199 6.3439 6.3439 8.6298 8.6298 8.6500 8.6500 8.6789 8.6789 8.7107 8.7107 8.9590 8.9590 8.9686 8.9686 10.4797 10.4797 10.4908 10.4908 10.6686 10.6686 10.6894 10.6894 k = 0.0328 0.0568 0.2987 ( 2158 PWs) bands (ev): -4.8133 -4.8133 -4.8132 -4.8132 4.6089 4.6089 4.6095 4.6095 6.2460 6.2460 6.2695 6.2695 6.3259 6.3259 6.3502 6.3502 8.6340 8.6340 8.6532 8.6532 8.6777 8.6777 8.7074 8.7074 8.9463 8.9463 8.9549 8.9549 10.5153 10.5153 10.5235 10.5235 10.6695 10.6695 10.6886 10.6886 k = 0.0273 0.0473 0.2987 ( 2156 PWs) bands (ev): -4.8218 -4.8218 -4.8217 -4.8217 4.6129 4.6129 4.6135 4.6135 6.2653 6.2653 6.2887 6.2887 6.3318 6.3318 6.3558 6.3558 8.6363 8.6363 8.6541 8.6541 8.6782 8.6782 8.7048 8.7048 8.9360 8.9360 8.9434 8.9434 10.5477 10.5477 10.5532 10.5532 10.6695 10.6695 10.6869 10.6869 k = 0.0219 0.0379 0.2987 ( 2156 PWs) bands (ev): -4.8287 -4.8287 -4.8286 -4.8286 4.6162 4.6162 4.6166 4.6166 6.2815 6.2815 6.3032 6.3032 6.3383 6.3383 6.3604 6.3604 8.6374 8.6374 8.6526 8.6526 8.6808 8.6808 8.7028 8.7028 8.9279 8.9279 8.9340 8.9340 10.5765 10.5765 10.5795 10.5795 10.6685 10.6685 10.6842 10.6842 k = 0.0164 0.0284 0.2987 ( 2160 PWs) bands (ev): -4.8342 -4.8342 -4.8341 -4.8341 4.6186 4.6186 4.6189 4.6189 6.2943 6.2943 6.3122 6.3122 6.3458 6.3458 6.3640 6.3640 8.6379 8.6379 8.6496 8.6496 8.6844 8.6844 8.7010 8.7010 8.9220 8.9220 8.9267 8.9267 10.6007 10.6007 10.6028 10.6028 10.6662 10.6662 10.6801 10.6801 k = 0.0109 0.0189 0.2987 ( 2164 PWs) bands (ev): -4.8380 -4.8380 -4.8380 -4.8380 4.6203 4.6203 4.6205 4.6205 6.3041 6.3041 6.3165 6.3165 6.3535 6.3535 6.3661 6.3661 8.6384 8.6384 8.6463 8.6463 8.6881 8.6881 8.6992 8.6992 8.9181 8.9181 8.9212 8.9212 10.6196 10.6196 10.6234 10.6234 10.6624 10.6624 10.6745 10.6745 k = 0.0055 0.0095 0.2987 ( 2172 PWs) bands (ev): -4.8404 -4.8404 -4.8404 -4.8404 4.6213 4.6213 4.6214 4.6214 6.3110 6.3110 6.3173 6.3173 6.3599 6.3599 6.3663 6.3663 8.6393 8.6393 8.6433 8.6433 8.6916 8.6916 8.6971 8.6971 8.9161 8.9161 8.9177 8.9177 10.6344 10.6344 10.6397 10.6397 10.6573 10.6573 10.6668 10.6668 k = 0.0000 0.0000 0.2987 ( 2172 PWs) bands (ev): -4.8411 -4.8411 -4.8411 -4.8411 4.6216 4.6216 4.6216 4.6216 6.3154 6.3154 6.3154 6.3154 6.3643 6.3643 6.3643 6.3643 8.6409 8.6409 8.6409 8.6409 8.6946 8.6946 8.6946 8.6946 8.9160 8.9160 8.9160 8.9160 10.6444 10.6444 10.6444 10.6444 10.6578 10.6578 10.6578 10.6578 k = 0.0000 0.0000 0.2987 ( 2172 PWs) bands (ev): -4.8411 -4.8411 -4.8411 -4.8411 4.6216 4.6216 4.6216 4.6216 6.3154 6.3154 6.3154 6.3154 6.3643 6.3643 6.3643 6.3643 8.6409 8.6409 8.6409 8.6409 8.6946 8.6946 8.6946 8.6946 8.9160 8.9160 8.9160 8.9160 10.6444 10.6444 10.6444 10.6444 10.6578 10.6578 10.6578 10.6578 k = 0.0000 0.0000 0.2876 ( 2172 PWs) bands (ev): -4.8834 -4.8834 -4.7982 -4.7982 4.4938 4.4938 4.7506 4.7506 6.2707 6.2707 6.3165 6.3165 6.3620 6.3620 6.4136 6.4136 8.6211 8.6211 8.6476 8.6476 8.6891 8.6891 8.7115 8.7115 8.8719 8.8719 8.9625 8.9625 10.5754 10.5754 10.5863 10.5863 10.7157 10.7157 10.7243 10.7243 k = 0.0000 0.0000 0.2766 ( 2172 PWs) bands (ev): -4.9248 -4.9248 -4.7546 -4.7546 4.3673 4.3673 4.8801 4.8801 6.2280 6.2280 6.2704 6.2704 6.4104 6.4104 6.4646 6.4646 8.5974 8.5974 8.6350 8.6350 8.7006 8.7006 8.7300 8.7300 8.8319 8.8319 9.0106 9.0106 10.5036 10.5036 10.5159 10.5159 10.7832 10.7832 10.7911 10.7911 k = 0.0000 0.0000 0.2655 ( 2172 PWs) bands (ev): -4.9652 -4.9652 -4.7106 -4.7106 4.2426 4.2426 5.0098 5.0098 6.1876 6.1876 6.2261 6.2261 6.4605 6.4605 6.5171 6.5171 8.5716 8.5716 8.6162 8.6162 8.7134 8.7134 8.7460 8.7460 8.8013 8.8013 9.0600 9.0600 10.4306 10.4306 10.4446 10.4446 10.8491 10.8491 10.8565 10.8565 k = 0.0000 0.0000 0.2544 ( 2166 PWs) bands (ev): -5.0046 -5.0046 -4.6662 -4.6662 4.1199 4.1199 5.1390 5.1390 6.1498 6.1498 6.1838 6.1838 6.5121 6.5121 6.5711 6.5711 8.5445 8.5445 8.5961 8.5961 8.7105 8.7105 8.7572 8.7572 8.7941 8.7941 9.1102 9.1102 10.3568 10.3568 10.3726 10.3726 10.9131 10.9131 10.9203 10.9203 k = 0.0000 0.0000 0.2434 ( 2166 PWs) bands (ev): -5.0429 -5.0429 -4.6215 -4.6215 3.9996 3.9996 5.2666 5.2666 6.1149 6.1149 6.1436 6.1436 6.5653 6.5653 6.6265 6.6265 8.5159 8.5159 8.5758 8.5758 8.6866 8.6866 8.7711 8.7711 8.8067 8.8067 9.1610 9.1610 10.2823 10.2823 10.3003 10.3003 10.9750 10.9750 10.9823 10.9823 k = 0.0000 0.0000 0.2323 ( 2172 PWs) bands (ev): -5.0800 -5.0800 -4.5769 -4.5769 3.8820 3.8820 5.3912 5.3912 6.0830 6.0830 6.1067 6.1067 6.6199 6.6199 6.6834 6.6834 8.4862 8.4862 8.5557 8.5557 8.6567 8.6567 8.7872 8.7872 8.8241 8.8241 9.2117 9.2117 10.2074 10.2074 10.2278 10.2278 11.0348 11.0348 11.0425 11.0425 k = 0.0000 0.0000 0.2212 ( 2172 PWs) bands (ev): -5.1158 -5.1158 -4.5323 -4.5323 3.7672 3.7672 5.5100 5.5100 6.0527 6.0527 6.0768 6.0768 6.6759 6.6759 6.7416 6.7416 8.4557 8.4557 8.5360 8.5360 8.6270 8.6270 8.8032 8.8032 8.8421 8.8421 9.2626 9.2626 10.1324 10.1324 10.1556 10.1556 11.0923 11.0923 11.1006 11.1006 k = 0.0000 0.0000 0.2102 ( 2178 PWs) bands (ev): -5.1503 -5.1503 -4.4880 -4.4880 3.6556 3.6556 5.6179 5.6179 6.0210 6.0210 6.0623 6.0623 6.7332 6.7332 6.8010 6.8010 8.4244 8.4244 8.5168 8.5168 8.5989 8.5989 8.8179 8.8179 8.8594 8.8594 9.3130 9.3130 10.0576 10.0576 10.0842 10.0842 11.1475 11.1475 11.1567 11.1567 k = 0.0000 0.0000 0.1991 ( 2184 PWs) bands (ev): -5.1833 -5.1833 -4.4441 -4.4441 3.5475 3.5475 5.7047 5.7047 5.9885 5.9885 6.0718 6.0718 6.7917 6.7917 6.8617 6.8617 8.3927 8.3927 8.4982 8.4982 8.5729 8.5729 8.8309 8.8309 8.8754 8.8754 9.3625 9.3625 9.9833 9.9833 10.0141 10.0141 11.2003 11.2003 11.2104 11.2104 k = 0.0000 0.0000 0.1881 ( 2184 PWs) bands (ev): -5.2149 -5.2149 -4.4008 -4.4008 3.4430 3.4430 5.7585 5.7585 5.9568 5.9568 6.1157 6.1157 6.8513 6.8513 6.9236 6.9236 8.3611 8.3611 8.4803 8.4803 8.5490 8.5490 8.8416 8.8416 8.8897 8.8897 9.4105 9.4105 9.9100 9.9100 9.9462 9.9462 11.2507 11.2507 11.2618 11.2618 k = 0.0000 0.0000 0.1770 ( 2172 PWs) bands (ev): -5.2449 -5.2449 -4.3584 -4.3584 3.3426 3.3426 5.7787 5.7787 5.9265 5.9265 6.1933 6.1933 6.9120 6.9120 6.9867 6.9867 8.3299 8.3299 8.4631 8.4631 8.5271 8.5271 8.8498 8.8498 8.9018 8.9018 9.4560 9.4560 9.8385 9.8385 9.8817 9.8817 11.2987 11.2987 11.3108 11.3108 k = 0.0000 0.0000 0.1659 ( 2166 PWs) bands (ev): -5.2734 -5.2734 -4.3170 -4.3170 3.2464 3.2464 5.7781 5.7781 5.8978 5.8978 6.2913 6.2913 6.9736 6.9736 7.0508 7.0508 8.2996 8.2996 8.4467 8.4467 8.5070 8.5070 8.8546 8.8546 8.9110 8.9110 9.4967 9.4967 9.7695 9.7695 9.8227 9.8227 11.3440 11.3440 11.3572 11.3572 k = 0.0000 0.0000 0.1549 ( 2154 PWs) bands (ev): -5.3002 -5.3002 -4.2768 -4.2768 3.1548 3.1548 5.7676 5.7676 5.8708 5.8708 6.3979 6.3979 7.0359 7.0359 7.1157 7.1157 8.2700 8.2700 8.4313 8.4313 8.4887 8.4887 8.8555 8.8555 8.9166 8.9166 9.5289 9.5289 9.7041 9.7041 9.7739 9.7739 11.3866 11.3866 11.4009 11.4009 k = 0.0000 0.0000 0.1438 ( 2154 PWs) bands (ev): -5.3253 -5.3253 -4.2381 -4.2381 3.0679 3.0679 5.7529 5.7529 5.8456 5.8456 6.5070 6.5070 7.0989 7.0989 7.1814 7.1814 8.2414 8.2414 8.4166 8.4166 8.4718 8.4718 8.8517 8.8517 8.9177 8.9177 9.5429 9.5429 9.6441 9.6441 9.7436 9.7436 11.4266 11.4266 11.4420 11.4420 k = 0.0000 0.0000 0.1327 ( 2160 PWs) bands (ev): -5.3488 -5.3488 -4.2011 -4.2011 2.9860 2.9860 5.7367 5.7367 5.8221 5.8221 6.6153 6.6153 7.1622 7.1622 7.2478 7.2478 8.2142 8.2142 8.4027 8.4027 8.4565 8.4565 8.8426 8.8426 8.9133 8.9133 9.5302 9.5302 9.5917 9.5917 9.7403 9.7403 11.4638 11.4638 11.4802 11.4802 k = 0.0000 0.0000 0.1217 ( 2160 PWs) bands (ev): -5.3705 -5.3705 -4.1660 -4.1660 2.9096 2.9096 5.7203 5.7203 5.8005 5.8005 6.7207 6.7207 7.2258 7.2258 7.3146 7.3146 8.1884 8.1884 8.3899 8.3899 8.4428 8.4428 8.8276 8.8276 8.9024 8.9024 9.4977 9.4977 9.5472 9.5472 9.7588 9.7588 11.4982 11.4982 11.5157 11.5157 k = 0.0000 0.0000 0.1106 ( 2154 PWs) bands (ev): -5.3904 -5.3904 -4.1330 -4.1330 2.8387 2.8387 5.7044 5.7044 5.7807 5.7807 6.8219 6.8219 7.2892 7.2892 7.3816 7.3816 8.1641 8.1641 8.3780 8.3780 8.4305 8.4305 8.8063 8.8063 8.8841 8.8841 9.4606 9.4606 9.5090 9.5090 9.7870 9.7870 11.5298 11.5298 11.5483 11.5483 k = 0.0000 0.0000 0.0996 ( 2154 PWs) bands (ev): -5.4084 -5.4084 -4.1023 -4.1023 2.7736 2.7736 5.6896 5.6896 5.7628 5.7628 6.9177 6.9177 7.3522 7.3522 7.4486 7.4486 8.1416 8.1416 8.3672 8.3672 8.4195 8.4195 8.7788 8.7788 8.8579 8.8579 9.4268 9.4268 9.4764 9.4764 9.8180 9.8180 11.5585 11.5585 11.5779 11.5779 k = 0.0000 0.0000 0.0885 ( 2154 PWs) bands (ev): -5.4247 -5.4247 -4.0741 -4.0741 2.7146 2.7146 5.6759 5.6759 5.7468 5.7468 7.0070 7.0070 7.4142 7.4142 7.5151 7.5151 8.1207 8.1207 8.3573 8.3573 8.4100 8.4100 8.7455 8.7455 8.8243 8.8243 9.3993 9.3993 9.4494 9.4494 9.8486 9.8486 11.5843 11.5843 11.6046 11.6046 k = 0.0000 0.0000 0.0774 ( 2154 PWs) bands (ev): -5.4391 -5.4391 -4.0488 -4.0488 2.6620 2.6620 5.6637 5.6637 5.7326 5.7326 7.0890 7.0890 7.4746 7.4746 7.5806 7.5806 8.1017 8.1017 8.3485 8.3485 8.4017 8.4017 8.7075 8.7075 8.7844 8.7844 9.3783 9.3783 9.4277 9.4277 9.8774 9.8774 11.6071 11.6071 11.6283 11.6283 k = 0.0000 0.0000 0.0664 ( 2153 PWs) bands (ev): -5.4516 -5.4516 -4.0263 -4.0263 2.6159 2.6159 5.6529 5.6529 5.7203 5.7203 7.1627 7.1627 7.5326 7.5326 7.6443 7.6443 8.0848 8.0848 8.3407 8.3407 8.3946 8.3946 8.6664 8.6664 8.7402 8.7402 9.3631 9.3631 9.4109 9.4109 9.9036 9.9036 11.6269 11.6269 11.6490 11.6490 k = 0.0000 0.0000 0.0553 ( 2153 PWs) bands (ev): -5.4622 -5.4622 -4.0070 -4.0070 2.5765 2.5765 5.6437 5.6437 5.7098 5.7098 7.2272 7.2272 7.5869 7.5869 7.7053 7.7053 8.0700 8.0700 8.3339 8.3339 8.3885 8.3885 8.6240 8.6240 8.6942 8.6942 9.3525 9.3525 9.3982 9.3982 9.9265 9.9265 11.6438 11.6438 11.6666 11.6666 k = 0.0000 0.0000 0.0442 ( 2135 PWs) bands (ev): -5.4709 -5.4709 -3.9910 -3.9910 2.5440 2.5440 5.6362 5.6362 5.7014 5.7014 7.2815 7.2815 7.6363 7.6363 7.7621 7.7621 8.0576 8.0576 8.3283 8.3283 8.3836 8.3836 8.5828 8.5828 8.6493 8.6493 9.3455 9.3455 9.3891 9.3891 9.9457 9.9457 11.6577 11.6577 11.6811 11.6811 k = 0.0000 0.0000 0.0332 ( 2135 PWs) bands (ev): -5.4777 -5.4777 -3.9784 -3.9784 2.5186 2.5186 5.6303 5.6303 5.6947 5.6947 7.3249 7.3249 7.6785 7.6785 7.8121 7.8121 8.0479 8.0479 8.3234 8.3234 8.3792 8.3792 8.5455 8.5455 8.6085 8.6085 9.3410 9.3410 9.3826 9.3826 9.9610 9.9610 11.6685 11.6685 11.6924 11.6924 k = 0.0000 0.0000 0.0221 ( 2147 PWs) bands (ev): -5.4826 -5.4826 -3.9693 -3.9693 2.5004 2.5004 5.6259 5.6259 5.6899 5.6899 7.3566 7.3566 7.7113 7.7113 7.8523 7.8523 8.0410 8.0410 8.3194 8.3194 8.3753 8.3753 8.5152 8.5152 8.5754 8.5754 9.3380 9.3380 9.3782 9.3782 9.9721 9.9721 11.6762 11.6762 11.7004 11.7004 k = 0.0000 0.0000 0.0111 ( 2165 PWs) bands (ev): -5.4855 -5.4855 -3.9638 -3.9638 2.4894 2.4894 5.6233 5.6233 5.6869 5.6869 7.3759 7.3759 7.7322 7.7322 7.8788 7.8788 8.0370 8.0370 8.3165 8.3165 8.3725 8.3725 8.4954 8.4954 8.5535 8.5535 9.3365 9.3365 9.3756 9.3756 9.9788 9.9788 11.6807 11.6807 11.7052 11.7052 k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -5.4865 -5.4865 -3.9620 -3.9620 2.4857 2.4857 5.6224 5.6224 5.6860 5.6860 7.3824 7.3824 7.7394 7.7394 7.8882 7.8882 8.0357 8.0357 8.3155 8.3155 8.3714 8.3714 8.4885 8.4885 8.5459 8.5459 9.3360 9.3360 9.3748 9.3748 9.9810 9.9810 11.6823 11.6823 11.7068 11.7068 k = 0.0000 0.0000 0.0000 ( 2165 PWs) bands (ev): -5.4865 -5.4865 -3.9620 -3.9620 2.4857 2.4857 5.6224 5.6224 5.6860 5.6860 7.3824 7.3824 7.7394 7.7394 7.8882 7.8882 8.0357 8.0357 8.3155 8.3155 8.3714 8.3714 8.4885 8.4885 8.5459 8.5459 9.3360 9.3360 9.3748 9.3748 9.9810 9.9810 11.6823 11.6823 11.7068 11.7068 k =-0.0094 0.0054 0.0000 ( 2161 PWs) bands (ev): -5.4855 -5.4855 -3.9616 -3.9615 2.4870 2.4870 5.6210 5.6212 5.6859 5.6860 7.3762 7.3776 7.7319 7.7404 7.8808 7.8817 8.0213 8.0345 8.3140 8.3268 8.3552 8.3800 8.4921 8.5000 8.5532 8.5564 9.3351 9.3372 9.3744 9.3765 9.9800 9.9815 11.6795 11.6800 11.7030 11.7036 k =-0.0189 0.0109 0.0000 ( 2147 PWs) bands (ev): -5.4826 -5.4826 -3.9605 -3.9603 2.4908 2.4908 5.6168 5.6173 5.6859 5.6860 7.3591 7.3613 7.7197 7.7345 7.8607 7.8626 7.9927 8.0143 8.3217 8.3422 8.3493 8.3807 8.5106 8.5115 8.5823 8.5825 9.3347 9.3388 9.3752 9.3793 9.9786 9.9814 11.6703 11.6706 11.6944 11.6949 k =-0.0283 0.0163 0.0000 ( 2143 PWs) bands (ev): -5.4778 -5.4778 -3.9585 -3.9583 2.4971 2.4972 5.6099 5.6106 5.6857 5.6859 7.3311 7.3332 7.7057 7.7228 7.8306 7.8337 7.9507 7.9740 8.3362 8.3478 8.3720 8.3846 8.5197 8.5345 8.6218 8.6255 9.3345 9.3406 9.3772 9.3834 9.9766 9.9808 11.6506 11.6513 11.6846 11.6851 k =-0.0377 0.0218 0.0000 ( 2149 PWs) bands (ev): -5.4711 -5.4711 -3.9558 -3.9555 2.5059 2.5061 5.6001 5.6010 5.6855 5.6858 7.2919 7.2931 7.6924 7.7069 7.7932 7.7986 7.8973 7.9174 8.3540 8.3635 8.3964 8.3981 8.5322 8.5585 8.6693 8.6739 9.3346 9.3426 9.3807 9.3892 9.9742 9.9798 11.6202 11.6220 11.6742 11.6758 k =-0.0472 0.0272 0.0000 ( 2149 PWs) bands (ev): -5.4625 -5.4624 -3.9523 -3.9519 2.5173 2.5175 5.5876 5.5887 5.6853 5.6857 7.2415 7.2419 7.6812 7.6859 7.7509 7.7617 7.8361 7.8495 8.3725 8.3859 8.4153 8.4232 8.5506 8.5849 8.7199 8.7239 9.3352 9.3449 9.3863 9.3972 9.9715 9.9783 11.5818 11.5843 11.6631 11.6656 k =-0.0566 0.0327 0.0000 ( 2147 PWs) bands (ev): -5.4520 -5.4519 -3.9481 -3.9475 2.5311 2.5314 5.5723 5.5737 5.6851 5.6855 7.1793 7.1815 7.6548 7.6720 7.7056 7.7284 7.7723 7.7744 8.3902 8.4106 8.4393 8.4463 8.5755 8.6142 8.7706 8.7736 9.3362 9.3475 9.3948 9.4082 9.9684 9.9766 11.5369 11.5401 11.6508 11.6540 k =-0.0660 0.0381 0.0000 ( 2149 PWs) bands (ev): -5.4396 -5.4395 -3.9430 -3.9424 2.5475 2.5478 5.5544 5.5560 5.6848 5.6853 7.1078 7.1116 7.6088 7.6536 7.6681 7.6901 7.6963 7.7230 8.4069 8.4341 8.4659 8.4685 8.6057 8.6458 8.8197 8.8217 9.3376 9.3504 9.4069 9.4228 9.9651 9.9745 11.4870 11.4906 11.6370 11.6409 k =-0.0755 0.0436 0.0000 ( 2147 PWs) bands (ev): -5.4253 -5.4252 -3.9373 -3.9366 2.5664 2.5667 5.5338 5.5356 5.6845 5.6851 7.0280 7.0330 7.5495 7.6057 7.6107 7.6320 7.6653 7.7044 8.4228 8.4538 8.4918 8.4933 8.6394 8.6792 8.8654 8.8666 9.3394 9.3536 9.4236 9.4420 9.9616 9.9722 11.4330 11.4371 11.6221 11.6267 k =-0.0849 0.0490 0.0000 ( 2145 PWs) bands (ev): -5.4092 -5.4091 -3.9308 -3.9300 2.5877 2.5880 5.5106 5.5125 5.6842 5.6849 6.9407 6.9464 7.4808 7.5276 7.5556 7.5733 7.6616 7.6949 8.4381 8.4701 8.5165 8.5206 8.6750 8.7136 8.9066 8.9072 9.3415 9.3570 9.4461 9.4666 9.9580 9.9698 11.3759 11.3804 11.6063 11.6115 k =-0.0943 0.0545 0.0000 ( 2145 PWs) bands (ev): -5.3913 -5.3911 -3.9237 -3.9228 2.6114 2.6118 5.4848 5.4869 5.6838 5.6846 6.8466 6.8527 7.4070 7.4443 7.5044 7.5171 7.6597 7.6887 8.4531 8.4844 8.5413 8.5471 8.7110 8.7483 8.9422 8.9427 9.3439 9.3606 9.4751 9.4974 9.9543 9.9673 11.3164 11.3213 11.5897 11.5956 k =-0.1038 0.0599 0.0000 ( 2147 PWs) bands (ev): -5.3715 -5.3714 -3.9159 -3.9149 2.6376 2.6380 5.4565 5.4588 5.6834 5.6843 6.7465 6.7525 7.3310 7.3618 7.4530 7.4625 7.6586 7.6844 8.4681 8.4978 8.5655 8.5726 8.7466 8.7825 8.9714 8.9725 9.3466 9.3646 9.5108 9.5344 9.9506 9.9649 11.2551 11.2604 11.5728 11.5792 k =-0.1132 0.0654 0.0000 ( 2151 PWs) bands (ev): -5.3500 -5.3498 -3.9074 -3.9063 2.6662 2.6666 5.4257 5.4282 5.6829 5.6838 6.6408 6.6466 7.2548 7.2806 7.4015 7.4091 7.6581 7.6812 8.4831 8.5111 8.5887 8.5970 8.7812 8.8157 8.9945 8.9966 9.3496 9.3688 9.5531 9.5774 9.9472 9.9627 11.1927 11.1984 11.5557 11.5627 k =-0.1226 0.0708 0.0000 ( 2147 PWs) bands (ev): -5.3267 -5.3266 -3.8983 -3.8972 2.6971 2.6976 5.3925 5.3951 5.6823 5.6833 6.5304 6.5357 7.1794 7.2012 7.3503 7.3564 7.6581 7.6789 8.4985 8.5248 8.6108 8.6204 8.8143 8.8477 9.0116 9.0153 9.3529 9.3733 9.6008 9.6256 9.9444 9.9612 11.1297 11.1358 11.5389 11.5464 k =-0.1321 0.0763 0.0000 ( 2149 PWs) bands (ev): -5.3017 -5.3016 -3.8887 -3.8875 2.7304 2.7309 5.3569 5.3596 5.6815 5.6826 6.4159 6.4207 7.1052 7.1238 7.2996 7.3046 7.6582 7.6771 8.5142 8.5388 8.6319 8.6429 8.8456 8.8779 9.0237 9.0292 9.3563 9.3779 9.6527 9.6774 9.9427 9.9608 11.0662 11.0728 11.5224 11.5305 k =-0.1415 0.0817 0.0000 ( 2151 PWs) bands (ev): -5.2751 -5.2749 -3.8785 -3.8772 2.7659 2.7665 5.3188 5.3217 5.6807 5.6818 6.2980 6.3022 7.0325 7.0484 7.2494 7.2536 7.6583 7.6755 8.5301 8.5531 8.6521 8.6646 8.8750 8.9062 9.0316 9.0392 9.3600 9.3827 9.7063 9.7305 9.9434 9.9625 11.0028 11.0099 11.5066 11.5153 k =-0.1509 0.0871 0.0000 ( 2154 PWs) bands (ev): -5.2468 -5.2466 -3.8678 -3.8664 2.8038 2.8044 5.2783 5.2813 5.6796 5.6808 6.1777 6.1813 6.9615 6.9751 7.2000 7.2035 7.6584 7.6740 8.5465 8.5680 8.6713 8.6856 8.9024 8.9325 9.0362 9.0459 9.3638 9.3875 9.7587 9.7811 9.9494 9.9685 10.9397 10.9474 11.4918 11.5010 k =-0.1604 0.0926 0.0000 ( 2154 PWs) bands (ev): -5.2169 -5.2167 -3.8567 -3.8552 2.8438 2.8445 5.2353 5.2383 5.6784 5.6797 6.0558 6.0588 6.8922 6.9038 7.1514 7.1544 7.6583 7.6726 8.5633 8.5834 8.6899 8.7062 8.9277 8.9565 9.0382 9.0502 9.3677 9.3924 9.8046 9.8221 9.9670 9.9830 10.8772 10.8856 11.4782 11.4878 k =-0.1698 0.0980 0.0000 ( 2162 PWs) bands (ev): -5.1854 -5.1852 -3.8451 -3.8436 2.8861 2.8867 5.1895 5.1926 5.6769 5.6783 5.9330 5.9355 6.8245 6.8344 7.1038 7.1063 7.6579 7.6710 8.5804 8.5992 8.7078 8.7263 8.9509 8.9781 9.0383 9.0525 9.3716 9.3970 9.8377 9.8464 10.0022 10.0114 10.8156 10.8248 11.4659 11.4759 k =-0.1792 0.1035 0.0000 ( 2166 PWs) bands (ev): -5.1525 -5.1523 -3.8332 -3.8316 2.9305 2.9311 5.1407 5.1438 5.6752 5.6766 5.8106 5.8126 6.7584 6.7669 7.0572 7.0594 7.6573 7.6692 8.5978 8.6154 8.7250 8.7460 8.9722 8.9971 9.0375 9.0534 9.3752 9.4012 9.8557 9.8559 10.0528 10.0552 10.7549 10.7651 11.4552 11.4656 k =-0.1887 0.1089 0.0000 ( 2166 PWs) bands (ev): -5.1181 -5.1179 -3.8210 -3.8193 2.9769 2.9776 5.0884 5.0915 5.6731 5.6745 5.6898 5.6914 6.6939 6.7012 7.0119 7.0136 7.6563 7.6671 8.6156 8.6319 8.7416 8.7654 8.9917 9.0120 9.0377 9.0534 9.3785 9.4050 9.8565 9.8631 10.1098 10.1115 10.6956 10.7071 11.4461 11.4570 k =-0.1981 0.1144 0.0000 ( 2170 PWs) bands (ev): -5.0823 -5.0821 -3.8085 -3.8068 3.0254 3.0261 5.0318 5.0349 5.5712 5.5722 5.6713 5.6728 6.6309 6.6371 6.9677 6.9692 7.6548 7.6647 8.6335 8.6487 8.7575 8.7845 9.0095 9.0188 9.0435 9.0527 9.3812 9.4081 9.8530 9.8639 10.1699 10.1733 10.6379 10.6509 11.4389 11.4500 k =-0.2075 0.1198 0.0000 ( 2166 PWs) bands (ev): -5.0451 -5.0450 -3.7958 -3.7940 3.0758 3.0766 4.9699 4.9730 5.4573 5.4579 5.6688 5.6704 6.5694 6.5747 6.9249 6.9261 7.6529 7.6620 8.6515 8.6656 8.7726 8.8032 9.0180 9.0258 9.0520 9.0548 9.3833 9.4105 9.8471 9.8612 10.2321 10.2354 10.5822 10.5975 11.4335 11.4448 k =-0.2170 0.1253 0.0000 ( 2168 PWs) bands (ev): -5.0068 -5.0066 -3.7830 -3.7811 3.1282 3.1290 4.9015 4.9045 5.3496 5.3498 5.6661 5.6677 6.5094 6.5139 6.8835 6.8844 7.6504 7.6587 8.6695 8.6825 8.7868 8.8213 9.0145 9.0408 9.0513 9.0672 9.3846 9.4119 9.8396 9.8562 10.2938 10.2951 10.5294 10.5481 11.4299 11.4415 k =-0.2264 0.1307 0.0000 ( 2164 PWs) bands (ev): -4.9672 -4.9670 -3.7701 -3.7682 3.1824 3.1832 4.8253 4.8281 5.2497 5.2499 5.6630 5.6646 6.4508 6.4546 6.8435 6.8443 7.6474 7.6549 8.6875 8.6993 8.7999 8.8386 9.0108 9.0512 9.0549 9.0792 9.3850 9.4123 9.8309 9.8497 10.3470 10.3510 10.4825 10.5078 11.4282 11.4399 k =-0.2358 0.1362 0.0000 ( 2160 PWs) bands (ev): -4.9265 -4.9263 -3.7572 -3.7552 3.2383 3.2391 4.7404 4.7430 5.1588 5.1595 5.6596 5.6613 6.3936 6.3967 6.8051 6.8056 7.6438 7.6506 8.7052 8.7159 8.8117 8.8545 9.0076 9.0520 9.0680 9.0906 9.3844 9.4117 9.8213 9.8420 10.3727 10.3822 10.4624 10.4944 11.4282 11.4401 k =-0.2453 0.1416 0.0000 ( 2156 PWs) bands (ev): -4.8847 -4.8846 -3.7444 -3.7424 3.2959 3.2968 4.6472 4.6496 5.0774 5.0786 5.6559 5.6576 6.3376 6.3403 6.7682 6.7686 7.6396 7.6457 8.7225 8.7320 8.8219 8.8684 9.0058 9.0539 9.0805 9.1014 9.3829 9.4101 9.8107 9.8333 10.3557 10.3564 10.4999 10.5240 11.4300 11.4419 k =-0.2547 0.1471 0.0000 ( 2156 PWs) bands (ev): -4.8420 -4.8419 -3.7317 -3.7296 3.3551 3.3560 4.5470 4.5492 5.0046 5.0061 5.6517 5.6535 6.2830 6.2852 6.7329 6.7331 7.6347 7.6402 8.7391 8.7473 8.8303 8.8795 9.0065 9.0573 9.0926 9.1119 9.3803 9.4073 9.7994 9.8237 10.3146 10.3202 10.5533 10.5721 11.4334 11.4453 k =-0.2642 0.1525 0.0000 ( 2160 PWs) bands (ev): -4.7985 -4.7984 -3.7192 -3.7172 3.4158 3.4167 4.4417 4.4437 4.9389 4.9407 5.6473 5.6490 6.2295 6.2313 6.6992 6.6993 7.6292 7.6342 8.7549 8.7615 8.8370 8.8869 9.0104 9.0622 9.1044 9.1222 9.3766 9.4035 9.7873 9.8132 10.2721 10.2813 10.6073 10.6234 11.4383 11.4501 k =-0.2736 0.1580 0.0000 ( 2168 PWs) bands (ev): -4.7541 -4.7541 -3.7071 -3.7050 3.4779 3.4787 4.3333 4.3352 4.8788 4.8807 5.6424 5.6442 6.1772 6.1787 6.6672 6.6672 7.6230 7.6275 8.7696 8.7745 8.8420 8.8904 9.0179 9.0688 9.1159 9.1324 9.3720 9.3987 9.7746 9.8020 10.2311 10.2427 10.6593 10.6737 11.4445 11.4562 k =-0.2830 0.1634 0.0000 ( 2166 PWs) bands (ev): -4.7091 -4.7091 -3.6953 -3.6932 3.5413 3.5421 4.2235 4.2253 4.8229 4.8251 5.6373 5.6390 6.1261 6.1273 6.6367 6.6369 7.6163 7.6203 8.7830 8.7855 8.8460 8.8907 9.0287 9.0771 9.1276 9.1428 9.3665 9.3932 9.7613 9.7901 10.1923 10.2060 10.7085 10.7216 11.4519 11.4634 k =-0.2925 0.1688 0.0000 ( 2166 PWs) bands (ev): -4.6636 -4.6636 -3.6840 -3.6819 3.6058 3.6066 4.1135 4.1153 4.7706 4.7728 5.6318 5.6335 6.0761 6.0769 6.6080 6.6082 7.6090 7.6126 8.7938 8.7944 8.8497 8.8888 9.0420 9.0867 9.1392 9.1535 9.3603 9.3870 9.7474 9.7774 10.1562 10.1715 10.7543 10.7664 11.4603 11.4716 k =-0.3019 0.1743 0.0000 ( 2166 PWs) bands (ev): -4.6176 -4.6176 -3.6733 -3.6711 3.6714 3.6721 4.0044 4.0063 4.7210 4.7233 5.6260 5.6277 6.0270 6.0277 6.5810 6.5812 7.6011 7.6043 8.7985 8.8031 8.8540 8.8862 9.0567 9.0975 9.1510 9.1645 9.3535 9.3802 9.7331 9.7639 10.1228 10.1394 10.7964 10.8075 11.4696 11.4807 k =-0.3113 0.1797 0.0000 ( 2168 PWs) bands (ev): -4.5714 -4.5713 -3.6632 -3.6611 3.7379 3.7382 3.8969 3.8993 4.6739 4.6763 5.6200 5.6216 5.9790 5.9794 6.5556 6.5559 7.5927 7.5956 8.7994 8.8083 8.8594 8.8844 9.0721 9.1089 9.1628 9.1759 9.3461 9.3730 9.7184 9.7498 10.0923 10.1100 10.8346 10.8448 11.4796 11.4903 k =-0.3208 0.1852 0.0000 ( 2166 PWs) bands (ev): -4.5249 -4.5248 -3.6539 -3.6517 3.7857 3.7897 3.8073 3.8138 4.6289 4.6314 5.6137 5.6153 5.9318 5.9320 6.5319 6.5323 7.5840 7.5865 8.7968 8.8093 8.8658 8.8844 9.0877 9.1208 9.1746 9.1877 9.3384 9.3656 9.7035 9.7350 10.0648 10.0832 10.8686 10.8781 11.4901 11.5005 k =-0.3302 0.1906 0.0000 ( 2168 PWs) bands (ev): -4.4784 -4.4782 -3.6455 -3.6433 3.6889 3.6897 3.8738 3.8754 4.5861 4.5886 5.6072 5.6088 5.8853 5.8853 6.5099 6.5103 7.5749 7.5771 8.7915 8.8060 8.8725 8.8865 9.1031 9.1327 9.1864 9.1998 9.3304 9.3581 9.6884 9.7195 10.0404 10.0592 10.8984 10.9071 11.5010 11.5110 k =-0.3396 0.1961 0.0000 ( 2164 PWs) bands (ev): -4.4319 -4.4317 -3.6379 -3.6358 3.5897 3.5908 3.9423 3.9435 4.5452 4.5478 5.6006 5.6021 5.8394 5.8396 6.4895 6.4899 7.5655 7.5675 8.7842 8.7992 8.8792 8.8904 9.1179 9.1442 9.1983 9.2123 9.3225 9.3509 9.6731 9.7035 10.0191 10.0379 10.9241 10.9320 11.5121 11.5217 k =-0.3491 0.2015 0.0000 ( 2172 PWs) bands (ev): -4.3857 -4.3854 -3.6315 -3.6293 3.4940 3.4952 4.0113 4.0122 4.5063 4.5090 5.5939 5.5953 5.7941 5.7945 6.4706 6.4711 7.5559 7.5576 8.7753 8.7898 8.8856 8.8949 9.1319 9.1550 9.2097 9.2249 9.3147 9.3441 9.6578 9.6868 10.0008 10.0194 10.9456 10.9528 11.5232 11.5324 k =-0.3585 0.2070 0.0000 ( 2172 PWs) bands (ev): -4.3398 -4.3395 -3.6261 -3.6240 3.4023 3.4035 4.0804 4.0811 4.4695 4.4724 5.5871 5.5885 5.7494 5.7499 6.4533 6.4537 7.5462 7.5477 8.7653 8.7789 8.8914 8.8996 9.1449 9.1649 9.2208 9.2374 9.3074 9.3381 9.6426 9.6698 9.9856 10.0036 10.9632 10.9697 11.5344 11.5431 k =-0.3679 0.2124 0.0000 ( 2176 PWs) bands (ev): -4.2944 -4.2941 -3.6220 -3.6199 3.3149 3.3161 4.1496 4.1499 4.4347 4.4379 5.5804 5.5817 5.7050 5.7057 6.4374 6.4379 7.5366 7.5379 8.7545 8.7669 8.8966 8.9041 9.1567 9.1736 9.2313 9.2493 9.3008 9.3330 9.6275 9.6526 9.9734 9.9904 10.9770 10.9828 11.5453 11.5535 k =-0.3774 0.2179 0.0000 ( 2168 PWs) bands (ev): -4.2498 -4.2494 -3.6192 -3.6171 3.2321 3.2332 4.2180 4.2186 4.4022 4.4062 5.5738 5.5749 5.6609 5.6618 6.4230 6.4234 7.5270 7.5281 8.7432 8.7543 8.9013 8.9083 9.1672 9.1809 9.2409 9.2600 9.2962 9.3294 9.6127 9.6354 9.9639 9.9798 10.9876 10.9927 11.5559 11.5636 k =-0.3868 0.2233 0.0000 ( 2168 PWs) bands (ev): -4.2060 -4.2055 -3.6179 -3.6158 3.1541 3.1552 4.2835 4.2865 4.3725 4.3789 5.5673 5.5682 5.6170 5.6181 6.4099 6.4103 7.5176 7.5186 8.7313 8.7411 8.9053 8.9119 9.1763 9.1867 9.2492 9.2674 9.2952 9.3275 9.5982 9.6182 9.9569 9.9715 10.9950 10.9995 11.5661 11.5733 k =-0.3962 0.2288 0.0000 ( 2164 PWs) bands (ev): -4.1632 -4.1626 -3.6179 -3.6159 3.0812 3.0822 4.3254 4.3344 4.3646 4.3769 5.5604 5.5606 5.5736 5.5755 6.3982 6.3985 7.5085 7.5094 8.7193 8.7280 8.9089 8.9151 9.1836 9.1910 9.2560 9.2696 9.2998 9.3276 9.5842 9.6015 9.9521 9.9655 10.9997 11.0037 11.5759 11.5825 k =-0.4057 0.2342 0.0000 ( 2164 PWs) bands (ev): -4.1216 -4.1210 -3.6196 -3.6176 3.0137 3.0147 4.3118 4.3141 4.4266 4.4321 5.5282 5.5288 5.5557 5.5572 6.3876 6.3880 7.4999 7.5006 8.7073 8.7148 8.9120 8.9178 9.1892 9.1937 9.2611 9.2686 9.3082 9.3297 9.5707 9.5853 9.9494 9.9613 11.0023 11.0056 11.5850 11.5911 k =-0.4151 0.2397 0.0000 ( 2164 PWs) bands (ev): -4.0814 -4.0807 -3.6228 -3.6208 2.9519 2.9528 4.2900 4.2907 4.4932 4.4971 5.4839 5.4849 5.5500 5.5511 6.3783 6.3786 7.4917 7.4923 8.6954 8.7020 8.9147 8.9200 9.1930 9.1951 9.2647 9.2671 9.3176 9.3335 9.5580 9.5700 9.9482 9.9588 11.0030 11.0058 11.5936 11.5991 k =-0.4245 0.2451 0.0000 ( 2166 PWs) bands (ev): -4.0428 -4.0421 -3.6276 -3.6257 2.8959 2.8967 4.2691 4.2693 4.5593 4.5626 5.4390 5.4402 5.5448 5.5457 6.3701 6.3704 7.4842 7.4847 8.6841 8.6897 8.9170 8.9218 9.1951 9.1955 9.2660 9.2669 9.3269 9.3384 9.5460 9.5556 9.9484 9.9577 11.0024 11.0047 11.6013 11.6063 k =-0.4340 0.2505 0.0000 ( 2164 PWs) bands (ev): -4.0061 -4.0053 -3.6339 -3.6321 2.8460 2.8467 4.2502 4.2502 4.6245 4.6274 5.3935 5.3948 5.5401 5.5409 6.3630 6.3633 7.4773 7.4777 8.6734 8.6781 8.9190 8.9233 9.1952 9.1960 9.2657 9.2685 9.3355 9.3439 9.5351 9.5425 9.9495 9.9576 11.0008 11.0027 11.6084 11.6127 k =-0.4434 0.2560 0.0000 ( 2184 PWs) bands (ev): -3.9715 -3.9707 -3.6417 -3.6400 2.8023 2.8029 4.2335 4.2336 4.6885 4.6912 5.3471 5.3485 5.5359 5.5366 6.3569 6.3571 7.4710 7.4714 8.6634 8.6673 8.9204 8.9242 9.1942 9.1955 9.2659 9.2694 9.3431 9.3491 9.5254 9.5308 9.9511 9.9580 10.9985 11.0001 11.6146 11.6183 k =-0.4528 0.2614 0.0000 ( 2188 PWs) bands (ev): -3.9394 -3.9386 -3.6508 -3.6493 2.7650 2.7655 4.2193 4.2194 4.7513 4.7538 5.2998 5.3013 5.5323 5.5328 6.3518 6.3520 7.4657 7.4660 8.6546 8.6578 8.9218 8.9250 9.1931 9.1946 9.2666 9.2701 9.3498 9.3540 9.5169 9.5208 9.9533 9.9589 10.9961 10.9973 11.6199 11.6231 k =-0.4623 0.2669 0.0000 ( 2194 PWs) bands (ev): -3.9103 -3.9095 -3.6608 -3.6594 2.7343 2.7347 4.2076 4.2077 4.8126 4.8150 5.2515 5.2531 5.5293 5.5298 6.3478 6.3479 7.4612 7.4615 8.6471 8.6496 8.9229 8.9255 9.1920 9.1935 9.2675 9.2705 9.3554 9.3582 9.5097 9.5123 9.9554 9.9599 10.9936 10.9946 11.6244 11.6269 k =-0.4717 0.2723 0.0000 ( 2194 PWs) bands (ev): -3.8850 -3.8842 -3.6711 -3.6698 2.7103 2.7106 4.1984 4.1986 4.8724 4.8747 5.2020 5.2038 5.5270 5.5273 6.3446 6.3447 7.4577 7.4579 8.6412 8.6430 8.9239 8.9259 9.1911 9.1923 9.2684 9.2708 9.3597 9.3616 9.5042 9.5058 9.9576 9.9609 10.9915 10.9922 11.6280 11.6299 k =-0.4811 0.2778 0.0000 ( 2198 PWs) bands (ev): -3.8647 -3.8641 -3.6804 -3.6795 2.6931 2.6933 4.1919 4.1920 4.9305 4.9327 5.1515 5.1533 5.5253 5.5255 6.3424 6.3425 7.4552 7.4553 8.6369 8.6381 8.9247 8.9260 9.1904 9.1912 9.2693 9.2709 9.3629 9.3640 9.5001 9.5010 9.9593 9.9615 10.9899 10.9903 11.6307 11.6320 k =-0.4906 0.2832 0.0000 ( 2200 PWs) bands (ev): -3.8510 -3.8507 -3.6872 -3.6867 2.6828 2.6829 4.1880 4.1880 4.9863 4.9883 5.1003 5.1022 5.5243 5.5244 6.3411 6.3411 7.4536 7.4537 8.6344 8.6350 8.9253 8.9259 9.1900 9.1905 9.2700 9.2708 9.3648 9.3654 9.4977 9.4981 9.9607 9.9618 10.9889 10.9891 11.6324 11.6331 k =-0.5000 0.2887 0.0000 ( 2196 PWs) bands (ev): -3.8461 -3.8461 -3.6896 -3.6896 2.6794 2.6794 4.1867 4.1867 5.0287 5.0287 5.0614 5.0614 5.5240 5.5240 6.3407 6.3407 7.4531 7.4531 8.6337 8.6337 8.9257 8.9257 9.1901 9.1901 9.2705 9.2705 9.3657 9.3657 9.4972 9.4972 9.9615 9.9615 10.9887 10.9887 11.6332 11.6332 k =-0.5000 0.2887 0.0000 ( 2196 PWs) bands (ev): -3.8461 -3.8461 -3.6896 -3.6896 2.6794 2.6794 4.1867 4.1867 5.0287 5.0287 5.0614 5.0614 5.5240 5.5240 6.3407 6.3407 7.4531 7.4531 8.6337 8.6337 8.9257 8.9257 9.1901 9.1901 9.2705 9.2705 9.3657 9.3657 9.4972 9.4972 9.9615 9.9615 10.9887 10.9887 11.6332 11.6332 k =-0.4946 0.2980-0.0000 ( 2196 PWs) bands (ev): -3.8457 -3.8457 -3.6893 -3.6893 2.6802 2.6803 4.1867 4.1868 5.0293 5.0293 5.0614 5.0616 5.5234 5.5234 6.3295 6.3303 7.4606 7.4617 8.6340 8.6343 8.9259 8.9266 9.1895 9.1900 9.2692 9.2712 9.3648 9.3671 9.4966 9.4973 9.9622 9.9630 10.9871 10.9888 11.6257 11.6268 k =-0.4892 0.3073-0.0000 ( 2196 PWs) bands (ev): -3.8447 -3.8447 -3.6884 -3.6883 2.6829 2.6830 4.1869 4.1871 5.0309 5.0310 5.0615 5.0619 5.5217 5.5217 6.2978 6.2995 7.4831 7.4852 8.6350 8.6356 8.9272 8.9285 9.1882 9.1892 9.2675 9.2714 9.3646 9.3690 9.4956 9.4969 9.9652 9.9666 10.9839 10.9873 11.6048 11.6070 k =-0.4839 0.3166-0.0000 ( 2196 PWs) bands (ev): -3.8430 -3.8429 -3.6868 -3.6867 2.6873 2.6875 4.1873 4.1875 5.0336 5.0337 5.0618 5.0624 5.5187 5.5188 6.2483 6.2507 7.5183 7.5213 8.6368 8.6378 8.9295 8.9315 9.1864 9.1877 9.2654 9.2710 9.3651 9.3714 9.4942 9.4961 9.9702 9.9723 10.9790 10.9842 11.5716 11.5749 k =-0.4785 0.3259-0.0000 ( 2200 PWs) bands (ev): -3.8405 -3.8405 -3.6847 -3.6844 2.6935 2.6937 4.1877 4.1880 5.0373 5.0375 5.0622 5.0631 5.5146 5.5147 6.1842 6.1871 7.5628 7.5667 8.6393 8.6407 8.9327 8.9354 9.1837 9.1856 9.2628 9.2698 9.3664 9.3743 9.4922 9.4947 9.9774 9.9801 10.9726 10.9795 11.5279 11.5323 k =-0.4731 0.3352-0.0000 ( 2192 PWs) bands (ev): -3.8375 -3.8374 -3.6819 -3.6816 2.7014 2.7017 4.1883 4.1887 5.0422 5.0424 5.0628 5.0639 5.5094 5.5095 6.1088 6.1121 7.6139 7.6184 8.6427 8.6445 8.9368 8.9402 9.1805 9.1829 9.2598 9.2679 9.3687 9.3778 9.4900 9.4932 9.9866 9.9899 10.9645 10.9733 11.4757 11.4813 k =-0.4677 0.3445-0.0000 ( 2188 PWs) bands (ev): -3.8337 -3.8337 -3.6786 -3.6782 2.7111 2.7114 4.1891 4.1895 5.0480 5.0483 5.0636 5.0650 5.5031 5.5031 6.0246 6.0284 7.6689 7.6740 8.6468 8.6490 8.9416 8.9458 9.1765 9.1795 9.2564 9.2652 9.3720 9.3820 9.4874 9.4912 9.9977 10.0015 10.9545 10.9655 11.4168 11.4237 k =-0.4624 0.3539-0.0000 ( 2182 PWs) bands (ev): -3.8293 -3.8293 -3.6747 -3.6743 2.7224 2.7228 4.1899 4.1903 5.0547 5.0551 5.0645 5.0664 5.4957 5.4957 5.9339 5.9381 7.7258 7.7315 8.6516 8.6544 8.9469 8.9518 9.1719 9.1754 9.2526 9.2617 9.3765 9.3870 9.4843 9.4887 10.0106 10.0149 10.9427 10.9560 11.3534 11.3617 k =-0.4570 0.3632-0.0000 ( 2170 PWs) bands (ev): -3.8243 -3.8242 -3.6703 -3.6699 2.7354 2.7358 4.1908 4.1913 5.0621 5.0628 5.0656 5.0682 5.4872 5.4872 5.8385 5.8431 7.7833 7.7895 8.6571 8.6605 8.9526 8.9582 9.1668 9.1708 9.2483 9.2575 9.3822 9.3929 9.4811 9.4861 10.0252 10.0298 10.9289 10.9446 11.2869 11.2969 k =-0.4516 0.3725-0.0000 ( 2169 PWs) bands (ev): -3.8187 -3.8186 -3.6655 -3.6650 2.7500 2.7505 4.1918 4.1923 5.0667 5.0678 5.0713 5.0727 5.4777 5.4777 5.7397 5.7449 7.8404 7.8470 8.6631 8.6672 8.9584 8.9647 9.1609 9.1654 9.2436 9.2524 9.3892 9.3997 9.4775 9.4831 10.0410 10.0460 10.9128 10.9313 11.2188 11.2308 k =-0.4462 0.3818-0.0000 ( 2169 PWs) bands (ev): -3.8124 -3.8124 -3.6603 -3.6597 2.7662 2.7666 4.1927 4.1932 5.0680 5.0705 5.0806 5.0812 5.4671 5.4672 5.6388 5.6446 7.8961 7.9032 8.6698 8.6747 8.9642 8.9711 9.1545 9.1595 9.2385 9.2467 9.3973 9.4073 9.4741 9.4802 10.0581 10.0633 10.8942 10.9161 11.1504 11.1648 k =-0.4409 0.3911-0.0000 ( 2165 PWs) bands (ev): -3.8056 -3.8056 -3.6548 -3.6542 2.7838 2.7843 4.1937 4.1942 5.0692 5.0728 5.0905 5.0910 5.4555 5.4555 5.5368 5.5435 7.9502 7.9578 8.6770 8.6829 8.9697 8.9772 9.1476 9.1531 9.2329 9.2404 9.4064 9.4155 9.4713 9.4776 10.0761 10.0815 10.8730 10.8988 11.0825 11.1001 k =-0.4355 0.4004-0.0000 ( 2169 PWs) bands (ev): -3.7983 -3.7983 -3.6490 -3.6483 2.8028 2.8034 4.1946 4.1951 5.0702 5.0753 5.1009 5.1015 5.4294 5.4348 5.4478 5.4506 8.0023 8.0103 8.6848 8.6917 8.9744 8.9824 9.1402 9.1461 9.2268 9.2334 9.4159 9.4232 9.4705 9.4762 10.0949 10.1004 10.8488 10.8794 11.0160 11.0375 k =-0.4301 0.4097-0.0000 ( 2171 PWs) bands (ev): -3.7905 -3.7905 -3.6431 -3.6423 2.8232 2.8238 4.1955 4.1960 5.0704 5.0779 5.1117 5.1124 5.3300 5.3405 5.4317 5.4320 8.0522 8.0607 8.6929 8.7010 8.9786 8.9866 9.1324 9.1387 9.2204 9.2260 9.4241 9.4281 9.4740 9.4778 10.1142 10.1197 10.8212 10.8576 10.9515 10.9780 k =-0.4247 0.4190-0.0000 ( 2171 PWs) bands (ev): -3.7822 -3.7822 -3.6370 -3.6361 2.8448 2.8454 4.1963 4.1967 5.0678 5.0805 5.1228 5.1238 5.2288 5.2445 5.4180 5.4183 8.0998 8.1088 8.7015 8.7110 8.9818 8.9897 9.1245 9.1310 9.2136 9.2182 9.4286 9.4287 9.4838 9.4848 10.1338 10.1392 10.7901 10.8337 10.8895 10.9224 k =-0.4194 0.4284-0.0000 ( 2175 PWs) bands (ev): -3.7735 -3.7734 -3.6308 -3.6300 2.8675 2.8681 4.1968 4.1972 5.0539 5.0809 5.1313 5.1338 5.1353 5.1616 5.4040 5.4043 8.1451 8.1545 8.7103 8.7214 8.9840 8.9913 9.1163 9.1229 9.2065 9.2101 9.4252 9.4287 9.4983 9.4994 10.1534 10.1587 10.7555 10.8074 10.8303 10.8708 k =-0.4140 0.4377-0.0000 ( 2181 PWs) bands (ev): -3.7644 -3.7643 -3.6248 -3.6238 2.8911 2.8918 4.1972 4.1975 5.0023 5.0247 5.0927 5.1177 5.1456 5.1469 5.3896 5.3901 8.1881 8.1978 8.7194 8.7323 8.9851 8.9913 9.1082 9.1146 9.1990 9.2017 9.4197 9.4254 9.5172 9.5192 10.1729 10.1780 10.7181 10.7740 10.7789 10.8228 k =-0.4086 0.4470-0.0000 ( 2181 PWs) bands (ev): -3.7549 -3.7548 -3.6188 -3.6179 2.9156 2.9163 4.1974 4.1976 4.9198 4.9303 5.0951 5.1084 5.1566 5.1584 5.3750 5.3758 8.2287 8.2388 8.7286 8.7436 8.9851 8.9896 9.1003 9.1062 9.1915 9.1934 9.4129 9.4200 9.5403 9.5425 10.1920 10.1968 10.6790 10.7212 10.7479 10.7776 k =-0.4032 0.4563-0.0000 ( 2181 PWs) bands (ev): -3.7451 -3.7450 -3.6132 -3.6121 2.9406 2.9413 4.1973 4.1974 4.8313 4.8374 5.0994 5.1084 5.1672 5.1696 5.3604 5.3616 8.2671 8.2774 8.7378 8.7552 8.9840 8.9862 9.0925 9.0980 9.1839 9.1850 9.4052 9.4134 9.5668 9.5688 10.2106 10.2151 10.6397 10.6716 10.7148 10.7337 k =-0.3978 0.4656-0.0000 ( 2181 PWs) bands (ev): -3.7350 -3.7350 -3.6079 -3.6068 2.9660 2.9667 4.1968 4.1968 4.7438 4.7477 5.1045 5.1113 5.1772 5.1803 5.3460 5.3476 8.3032 8.3137 8.7468 8.7669 8.9811 8.9818 9.0850 9.0898 9.1762 9.1767 9.3970 9.4061 9.5963 9.5979 10.2284 10.2326 10.6015 10.6253 10.6798 10.6902 k =-0.3925 0.4749-0.0000 ( 2185 PWs) bands (ev): -3.7247 -3.7247 -3.6030 -3.6019 2.9915 2.9922 4.1959 4.1960 4.6594 4.6621 5.1101 5.1157 5.1862 5.1902 5.3319 5.3343 8.3370 8.3476 8.7557 8.7788 8.9743 8.9786 9.0779 9.0820 9.1687 9.1688 9.3884 9.3982 9.6283 9.6295 10.2455 10.2492 10.5652 10.5818 10.6432 10.6462 k =-0.3871 0.4842-0.0000 ( 2185 PWs) bands (ev): -3.7142 -3.7142 -3.5988 -3.5976 3.0168 3.0175 4.1946 4.1948 4.5792 4.5810 5.1163 5.1212 5.1938 5.1990 5.3186 5.3219 8.3687 8.3792 8.7641 8.7906 8.9662 8.9747 9.0712 9.0746 9.1612 9.1616 9.3796 9.3900 9.6627 9.6634 10.2616 10.2648 10.5313 10.5408 10.6015 10.6057 k =-0.3817 0.4935-0.0000 ( 2185 PWs) bands (ev): -3.7036 -3.7036 -3.5952 -3.5940 3.0415 3.0422 4.1928 4.1932 4.5040 4.5052 5.1232 5.1275 5.1995 5.2061 5.3063 5.3109 8.3981 8.4083 8.7720 8.8022 8.9571 8.9702 9.0649 9.0678 9.1543 9.1550 9.3707 9.3817 9.6993 9.6996 10.2766 10.2792 10.4997 10.5014 10.5563 10.5681 k =-0.3763 0.5029-0.0000 ( 2187 PWs) bands (ev): -3.6930 -3.6929 -3.5925 -3.5913 3.0652 3.0658 4.1905 4.1911 4.4347 4.4353 5.1306 5.1345 5.2028 5.2111 5.2959 5.3018 8.4251 8.4349 8.7792 8.8133 8.9473 8.9652 9.0590 9.0615 9.1481 9.1492 9.3618 9.3733 9.7376 9.7379 10.2905 10.2923 10.4625 10.4698 10.5115 10.5321 k =-0.3710 0.5122-0.0000 ( 2179 PWs) bands (ev): -3.6822 -3.6822 -3.5907 -3.5895 3.0875 3.0881 4.1878 4.1885 4.3718 4.3721 5.1386 5.1422 5.2033 5.2131 5.2878 5.2951 8.4498 8.4587 8.7857 8.8238 8.9369 8.9599 9.0536 9.0559 9.1427 9.1443 9.3531 9.3652 9.7776 9.7784 10.3031 10.3039 10.4227 10.4381 10.4712 10.4992 k =-0.3656 0.5215-0.0000 ( 2175 PWs) bands (ev): -3.6716 -3.6716 -3.5900 -3.5887 3.1078 3.1083 4.1845 4.1854 4.3162 4.3163 5.1473 5.1507 5.2006 5.2116 5.2827 5.2909 8.4719 8.4797 8.7913 8.8334 8.9265 8.9545 9.0488 9.0510 9.1382 9.1406 9.3449 9.3574 9.8191 9.8204 10.3138 10.3143 10.3811 10.3985 10.4417 10.4708 k =-0.3602 0.5308-0.0000 ( 2175 PWs) bands (ev): -3.6610 -3.6610 -3.5905 -3.5892 3.1257 3.1261 4.1808 4.1818 4.2684 4.2688 5.1567 5.1599 5.1952 5.2066 5.2804 5.2888 8.4912 8.4974 8.7960 8.8416 8.9164 8.9492 9.0447 9.0468 9.1348 9.1382 9.3373 9.3503 9.8619 9.8638 10.3206 10.3216 10.3399 10.3539 10.4217 10.4471 k =-0.3548 0.5401-0.0000 ( 2185 PWs) bands (ev): -3.6506 -3.6506 -3.5922 -3.5909 3.1407 3.1410 4.1763 4.1775 4.2295 4.2301 5.1667 5.1697 5.1877 5.1989 5.2802 5.2882 8.5074 8.5117 8.7998 8.8477 8.9074 8.9440 9.0412 9.0432 9.1324 9.1371 9.3305 9.3440 9.9056 9.9081 10.2898 10.3006 10.3320 10.3349 10.4075 10.4280 k =-0.3495 0.5494-0.0000 ( 2185 PWs) bands (ev): -3.6404 -3.6404 -3.5954 -3.5941 3.1525 3.1528 4.1708 4.1721 4.2003 4.2012 5.1770 5.1774 5.1817 5.1892 5.2811 5.2884 8.5204 8.5224 8.8027 8.8512 8.9005 8.9393 9.0389 9.0405 9.1312 9.1376 9.3250 9.3390 9.9500 9.9531 10.2447 10.2542 10.3341 10.3412 10.3981 10.4134 k =-0.3441 0.5587-0.0000 ( 2185 PWs) bands (ev): -3.6305 -3.6304 -3.6001 -3.5988 3.1610 3.1612 4.1634 4.1648 4.1820 4.1833 5.1672 5.1777 5.1892 5.1923 5.2826 5.2891 8.5293 8.5299 8.8048 8.8515 8.8961 8.9351 9.0376 9.0388 9.1310 9.1394 9.3209 9.3354 9.9937 9.9974 10.2003 10.2081 10.3352 10.3458 10.3930 10.4031 k =-0.3387 0.5680-0.0000 ( 2193 PWs) bands (ev): -3.6212 -3.6209 -3.6062 -3.6050 3.1663 3.1664 4.1560 4.1574 4.1730 4.1746 5.1552 5.1651 5.2014 5.2045 5.2846 5.2901 8.5323 8.5357 8.8061 8.8488 8.8942 8.9313 9.0376 9.0383 9.1319 9.1423 9.3185 9.3335 10.0330 10.0374 10.1608 10.1672 10.3347 10.3484 10.3911 10.3970 k =-0.3333 0.5774-0.0000 ( 2193 PWs) bands (ev): -3.6164 -3.6147 -3.6101 -3.6098 3.1688 3.1688 4.1522 4.1539 4.1693 4.1710 5.1417 5.1509 5.2144 5.2176 5.2870 5.2916 8.5314 8.5376 8.8066 8.8444 8.8938 8.9278 9.0389 9.0393 9.1338 9.1460 9.3183 9.3338 10.0516 10.0564 10.1431 10.1488 10.3337 10.3492 10.3914 10.3946 k =-0.3333 0.5774-0.0000 ( 2193 PWs) bands (ev): -3.6164 -3.6147 -3.6101 -3.6098 3.1688 3.1688 4.1522 4.1539 4.1693 4.1710 5.1417 5.1509 5.2144 5.2176 5.2870 5.2916 8.5314 8.5376 8.8066 8.8444 8.8938 8.9278 9.0389 9.0393 9.1338 9.1460 9.3183 9.3338 10.0516 10.0564 10.1431 10.1488 10.3337 10.3492 10.3914 10.3946 k =-0.3333 0.5774 0.0111 ( 2190 PWs) bands (ev): -3.6164 -3.6146 -3.6101 -3.6098 3.1701 3.1701 4.1507 4.1523 4.1677 4.1694 5.1423 5.1516 5.2161 5.2192 5.2855 5.2901 8.5320 8.5382 8.8060 8.8437 8.8923 8.9259 9.0403 9.0411 9.1347 9.1468 9.3180 9.3333 10.0478 10.0525 10.1372 10.1422 10.3420 10.3567 10.3971 10.4001 k =-0.3333 0.5774 0.0221 ( 2190 PWs) bands (ev): -3.6163 -3.6146 -3.6100 -3.6097 3.1740 3.1740 4.1461 4.1478 4.1630 4.1647 5.1438 5.1532 5.2210 5.2242 5.2815 5.2862 8.5339 8.5399 8.8043 8.8416 8.8881 8.9203 9.0444 9.0463 9.1373 9.1489 9.3167 9.3316 10.0369 10.0412 10.1217 10.1251 10.3641 10.3772 10.4132 10.4160 k =-0.3333 0.5774 0.0332 ( 2199 PWs) bands (ev): -3.6162 -3.6144 -3.6099 -3.6096 3.1805 3.1806 4.1387 4.1403 4.1552 4.1569 5.1451 5.1545 5.2290 5.2324 5.2761 5.2806 8.5369 8.5426 8.8013 8.8381 8.8814 8.9118 9.0508 9.0540 9.1416 9.1524 9.3146 9.3288 10.0205 10.0245 10.1004 10.1022 10.3952 10.4067 10.4381 10.4403 k =-0.3333 0.5774 0.0442 ( 2190 PWs) bands (ev): -3.6159 -3.6142 -3.6097 -3.6094 3.1896 3.1897 4.1286 4.1302 4.1448 4.1465 5.1441 5.1532 5.2398 5.2435 5.2715 5.2755 8.5412 8.5465 8.7974 8.8335 8.8730 8.9015 9.0593 9.0636 9.1477 9.1574 9.3117 9.3249 10.0004 10.0040 10.0763 10.0769 10.4322 10.4424 10.4700 10.4718 k =-0.3333 0.5774 0.0553 ( 2184 PWs) bands (ev): -3.6157 -3.6140 -3.6095 -3.6092 3.2013 3.2014 4.1163 4.1177 4.1320 4.1336 5.1381 5.1463 5.2529 5.2572 5.2709 5.2735 8.5466 8.5515 8.7925 8.8277 8.8632 8.8897 9.0692 9.0744 9.1552 9.1637 9.3080 9.3199 9.9781 9.9813 10.0506 10.0509 10.4733 10.4823 10.5072 10.5085 k =-0.3333 0.5774 0.0664 ( 2184 PWs) bands (ev): -3.6154 -3.6137 -3.6092 -3.6089 3.2156 3.2156 4.1018 4.1032 4.1170 4.1186 5.1246 5.1314 5.2672 5.2729 5.2770 5.2771 8.5532 8.5575 8.7865 8.8210 8.8522 8.8769 9.0802 9.0860 9.1639 9.1711 9.3035 9.3138 9.9544 9.9574 10.0243 10.0253 10.5174 10.5255 10.5485 10.5495 k =-0.3333 0.5774 0.0774 ( 2178 PWs) bands (ev): -3.6150 -3.6134 -3.6089 -3.6086 3.2324 3.2324 4.0857 4.0870 4.1004 4.1019 5.1030 5.1083 5.2815 5.2853 5.2910 5.2914 8.5611 8.5645 8.7798 8.8134 8.8407 8.8635 9.0921 9.0983 9.1739 9.1795 9.2984 9.3068 9.9302 9.9330 9.9983 9.9998 10.5641 10.5714 10.5932 10.5938 k =-0.3333 0.5774 0.0885 ( 2178 PWs) bands (ev): -3.6146 -3.6131 -3.6085 -3.6082 3.2517 3.2517 4.0683 4.0695 4.0824 4.0839 5.0742 5.0783 5.2975 5.2990 5.3091 5.3107 8.5699 8.5723 8.7723 8.8052 8.8287 8.8496 9.1047 9.1109 9.1849 9.1887 9.2928 9.2989 9.9057 9.9084 9.9729 9.9748 10.6129 10.6196 10.6405 10.6409 k =-0.3333 0.5774 0.0996 ( 2187 PWs) bands (ev): -3.6142 -3.6127 -3.6082 -3.6079 3.2735 3.2735 4.0499 4.0510 4.0635 4.0649 5.0395 5.0427 5.3157 5.3160 5.3292 5.3312 8.5797 8.5809 8.7643 8.7964 8.8166 8.8355 9.1177 9.1236 9.1964 9.1983 9.2870 9.2903 9.8814 9.8839 9.9481 9.9503 10.6635 10.6696 10.6901 10.6903 k =-0.3333 0.5774 0.1106 ( 2190 PWs) bands (ev): -3.6138 -3.6123 -3.6078 -3.6075 3.2978 3.2978 4.0309 4.0319 4.0439 4.0452 4.9999 5.0025 5.3351 5.3357 5.3502 5.3525 8.5900 8.5904 8.7559 8.7871 8.8047 8.8213 9.1309 9.1363 9.2077 9.2083 9.2820 9.2823 9.8573 9.8597 9.9240 9.9263 10.7159 10.7214 10.7417 10.7417 k =-0.3333 0.5774 0.1217 ( 2190 PWs) bands (ev): -3.6133 -3.6119 -3.6074 -3.6071 3.3245 3.3245 4.0115 4.0125 4.0241 4.0253 4.9563 4.9584 5.3557 5.3568 5.3717 5.3742 8.5998 8.6020 8.7473 8.7775 8.7936 8.8072 9.1441 9.1484 9.2161 9.2194 9.2747 9.2793 9.8335 9.8359 9.9005 9.9030 10.7696 10.7746 10.7946 10.7948 k =-0.3333 0.5774 0.1327 ( 2190 PWs) bands (ev): -3.6128 -3.6114 -3.6069 -3.6067 3.3536 3.3537 3.9922 3.9930 4.0042 4.0053 4.9093 4.9109 5.3769 5.3785 5.3934 5.3960 8.6098 8.6144 8.7388 8.7672 8.7839 8.7934 9.1562 9.1590 9.2224 9.2278 9.2712 9.2802 9.8102 9.8125 9.8776 9.8801 10.8243 10.8289 10.8488 10.8491 k =-0.3333 0.5774 0.1438 ( 2190 PWs) bands (ev): -3.6123 -3.6110 -3.6065 -3.6062 3.3850 3.3851 3.9730 3.9738 3.9846 3.9856 4.8593 4.8607 5.3984 5.4003 5.4149 5.4177 8.6195 8.6270 8.7308 8.7564 8.7760 8.7800 9.1658 9.1662 9.2272 9.2313 9.2753 9.2860 9.7872 9.7895 9.8553 9.8578 10.8799 10.8840 10.9038 10.9042 k =-0.3333 0.5774 0.1549 ( 2196 PWs) bands (ev): -3.6118 -3.6105 -3.6060 -3.6058 3.4187 3.4189 3.9543 3.9550 3.9655 3.9664 4.8068 4.8079 5.4198 5.4219 5.4360 5.4388 8.6286 8.6394 8.7236 8.7452 8.7671 8.7705 9.1676 9.1697 9.2333 9.2337 9.2860 9.2960 9.7647 9.7670 9.8335 9.8360 10.9358 10.9395 10.9592 10.9597 k =-0.3333 0.5774 0.1659 ( 2190 PWs) bands (ev): -3.6112 -3.6101 -3.6056 -3.6053 3.4547 3.4549 3.9362 3.9368 3.9470 3.9478 4.7522 4.7532 5.4407 5.4430 5.4564 5.4592 8.6364 8.6505 8.7184 8.7342 8.7555 8.7680 9.1627 9.1658 9.2404 9.2431 9.3002 9.3089 9.7426 9.7449 9.8122 9.8146 10.9918 10.9951 11.0146 11.0152 k =-0.3333 0.5774 0.1770 ( 2184 PWs) bands (ev): -3.6107 -3.6096 -3.6051 -3.6049 3.4928 3.4930 3.9190 3.9196 3.9295 3.9302 4.6959 4.6967 5.4609 5.4633 5.4759 5.4788 8.6423 8.6585 8.7159 8.7234 8.7461 8.7689 9.1528 9.1552 9.2520 9.2559 9.3160 9.3236 9.7209 9.7233 9.7914 9.7937 11.0473 11.0502 11.0695 11.0702 k =-0.3333 0.5774 0.1881 ( 2178 PWs) bands (ev): -3.6102 -3.6092 -3.6047 -3.6045 3.5330 3.5333 3.9028 3.9033 3.9131 3.9135 4.6382 4.6388 5.4801 5.4826 5.4942 5.4972 8.6458 8.6617 8.7132 8.7144 8.7424 8.7736 9.1395 9.1406 9.2664 9.2706 9.3326 9.3393 9.6996 9.7021 9.7710 9.7733 11.1017 11.1043 11.1234 11.1242 k =-0.3333 0.5774 0.1991 ( 2175 PWs) bands (ev): -3.6097 -3.6088 -3.6043 -3.6041 3.5752 3.5756 3.8878 3.8882 3.8979 3.8981 4.5794 4.5799 5.4981 5.5008 5.5113 5.5142 8.6469 8.6604 8.7036 8.7094 8.7484 8.7818 9.1235 9.1240 9.2823 9.2864 9.3497 9.3556 9.6788 9.6814 9.7512 9.7533 11.1545 11.1567 11.1756 11.1764 k =-0.3333 0.5774 0.2102 ( 2175 PWs) bands (ev): -3.6093 -3.6084 -3.6039 -3.6037 3.6192 3.6197 3.8741 3.8745 3.8841 3.8841 4.5198 4.5201 5.5148 5.5175 5.5269 5.5299 8.6462 8.6566 8.6947 8.7018 8.7618 8.7935 9.1047 9.1069 9.2990 9.3028 9.3670 9.3722 9.6584 9.6611 9.7317 9.7337 11.2049 11.2069 11.2254 11.2262 k =-0.3333 0.5774 0.2212 ( 2169 PWs) bands (ev): -3.6088 -3.6081 -3.6036 -3.6034 3.6649 3.6656 3.8618 3.8622 3.8716 3.8719 4.4596 4.4598 5.5299 5.5327 5.5409 5.5439 8.6442 8.6520 8.6868 8.6938 8.7789 8.8078 9.0848 9.0887 9.3160 9.3195 9.3842 9.3889 9.6386 9.6415 9.7129 9.7147 11.2522 11.2540 11.2722 11.2730 k =-0.3333 0.5774 0.2323 ( 2169 PWs) bands (ev): -3.6085 -3.6078 -3.6033 -3.6031 3.7118 3.7129 3.8511 3.8515 3.8609 3.8617 4.3991 4.3993 5.5434 5.5461 5.5532 5.5561 8.6416 8.6472 8.6798 8.6862 8.7980 8.8241 9.0639 9.0694 9.3331 9.3362 9.4011 9.4054 9.6194 9.6224 9.6947 9.6964 11.2957 11.2972 11.3150 11.3158 k =-0.3333 0.5774 0.2434 ( 2175 PWs) bands (ev): -3.6081 -3.6076 -3.6030 -3.6029 3.7588 3.7605 3.8422 3.8426 3.8528 3.8545 4.3386 4.3387 5.5551 5.5578 5.5637 5.5665 8.6387 8.6426 8.6738 8.6793 8.8183 8.8419 9.0424 9.0494 9.3497 9.3524 9.4174 9.4213 9.6012 9.6043 9.6774 9.6789 11.3344 11.3356 11.3531 11.3538 k =-0.3333 0.5774 0.2544 ( 2181 PWs) bands (ev): -3.6078 -3.6074 -3.6028 -3.6027 3.8004 3.8034 3.8353 3.8361 3.8520 3.8556 4.2783 4.2783 5.5649 5.5674 5.5724 5.5750 8.6359 8.6387 8.6690 8.6735 8.8395 8.8609 9.0203 9.0288 9.3657 9.3679 9.4327 9.4362 9.5841 9.5873 9.6613 9.6626 11.3675 11.3685 11.3857 11.3863 k =-0.3333 0.5774 0.2655 ( 2181 PWs) bands (ev): -3.6076 -3.6073 -3.6026 -3.6025 3.8180 3.8198 3.8306 3.8317 3.8804 3.8832 4.2183 4.2185 5.5728 5.5750 5.5793 5.5816 8.6336 8.6355 8.6653 8.6687 8.8613 8.8808 8.9978 9.0079 9.3802 9.3819 9.4463 9.4495 9.5691 9.5722 9.6472 9.6483 11.3943 11.3950 11.4120 11.4125 k =-0.3333 0.5774 0.2766 ( 2187 PWs) bands (ev): -3.6074 -3.6072 -3.6024 -3.6024 3.8185 3.8191 3.8273 3.8281 3.9296 3.9311 4.1592 4.1595 5.5786 5.5803 5.5844 5.5861 8.6319 8.6330 8.6628 8.6651 8.8836 8.9013 8.9751 8.9866 9.3923 9.3935 9.4575 9.4601 9.5569 9.5596 9.6358 9.6366 11.4140 11.4145 11.4313 11.4317 k =-0.3333 0.5774 0.2876 ( 2187 PWs) bands (ev): -3.6073 -3.6071 -3.6023 -3.6023 3.8171 3.8173 3.8253 3.8257 3.9828 3.9837 4.1016 4.1020 5.5823 5.5832 5.5877 5.5887 8.6309 8.6314 8.6615 8.6627 8.9061 8.9220 8.9526 8.9653 9.4007 9.4013 9.4652 9.4667 9.5492 9.5508 9.6283 9.6287 11.4261 11.4264 11.4432 11.4434 k =-0.3333 0.5774 0.2987 ( 2196 PWs) bands (ev): -3.6072 -3.6072 -3.6023 -3.6023 3.8166 3.8166 3.8247 3.8247 4.0252 4.0252 4.0585 4.0585 5.5839 5.5839 5.5891 5.5891 8.6307 8.6307 8.6614 8.6614 8.9280 8.9280 8.9447 8.9447 9.4039 9.4039 9.4684 9.4684 9.5470 9.5470 9.6257 9.6257 11.4303 11.4303 11.4473 11.4473 k =-0.3333 0.5774 0.2987 ( 2196 PWs) bands (ev): -3.6072 -3.6072 -3.6023 -3.6023 3.8166 3.8166 3.8247 3.8247 4.0252 4.0252 4.0585 4.0585 5.5839 5.5839 5.5891 5.5891 8.6307 8.6307 8.6614 8.6614 8.9280 8.9280 8.9447 8.9447 9.4039 9.4039 9.4684 9.4684 9.5470 9.5470 9.6257 9.6257 11.4303 11.4303 11.4473 11.4473 k =-0.3387 0.5680 0.2987 ( 2188 PWs) bands (ev): -3.6077 -3.6077 -3.6029 -3.6029 3.8030 3.8030 3.8095 3.8095 4.0432 4.0432 4.0743 4.0743 5.5845 5.5845 5.5898 5.5898 8.6274 8.6274 8.6586 8.6586 8.9307 8.9307 8.9493 8.9493 9.4050 9.4050 9.4678 9.4678 9.5462 9.5462 9.6244 9.6244 11.4272 11.4272 11.4443 11.4443 k =-0.3441 0.5587 0.2987 ( 2182 PWs) bands (ev): -3.6093 -3.6093 -3.6045 -3.6045 3.7709 3.7709 3.7754 3.7754 4.0848 4.0848 4.1124 4.1124 5.5855 5.5855 5.5909 5.5909 8.6217 8.6217 8.6529 8.6529 8.9360 8.9360 8.9560 8.9560 9.4038 9.4038 9.4609 9.4609 9.5519 9.5519 9.6254 9.6254 11.4214 11.4214 11.4386 11.4386 k =-0.3495 0.5494 0.2987 ( 2186 PWs) bands (ev): -3.6119 -3.6119 -3.6071 -3.6071 3.7291 3.7291 3.7333 3.7333 4.1390 4.1390 4.1639 4.1639 5.5867 5.5867 5.5922 5.5922 8.6138 8.6138 8.6445 8.6445 8.9435 8.9435 8.9646 8.9646 9.4007 9.4007 9.4500 9.4500 9.5616 9.5616 9.6285 9.6285 11.4130 11.4130 11.4303 11.4303 k =-0.3548 0.5401 0.2987 ( 2182 PWs) bands (ev): -3.6154 -3.6154 -3.6106 -3.6106 3.6834 3.6834 3.6883 3.6883 4.2001 4.2001 4.2232 4.2232 5.5881 5.5881 5.5938 5.5938 8.6038 8.6038 8.6338 8.6338 8.9532 8.9532 8.9752 8.9752 9.3960 9.3960 9.4374 9.4374 9.5736 9.5736 9.6337 9.6337 11.4023 11.4023 11.4196 11.4196 k =-0.3602 0.5308 0.2987 ( 2182 PWs) bands (ev): -3.6196 -3.6196 -3.6149 -3.6149 3.6367 3.6367 3.6422 3.6422 4.2657 4.2657 4.2878 4.2878 5.5899 5.5899 5.5956 5.5956 8.5920 8.5920 8.6210 8.6210 8.9646 8.9646 8.9873 8.9873 9.3901 9.3901 9.4240 9.4240 9.5867 9.5867 9.6404 9.6404 11.3893 11.3893 11.4066 11.4066 k =-0.3656 0.5215 0.2987 ( 2182 PWs) bands (ev): -3.6245 -3.6245 -3.6199 -3.6199 3.5902 3.5902 3.5961 3.5961 4.3347 4.3347 4.3560 4.3560 5.5918 5.5918 5.5978 5.5978 8.5787 8.5787 8.6066 8.6066 8.9775 8.9775 9.0009 9.0009 9.3834 9.3834 9.4107 9.4107 9.6005 9.6005 9.6486 9.6486 11.3744 11.3744 11.3916 11.3916 k =-0.3710 0.5122 0.2987 ( 2182 PWs) bands (ev): -3.6300 -3.6300 -3.6255 -3.6255 3.5444 3.5444 3.5505 3.5505 4.4062 4.4062 4.4271 4.4271 5.5941 5.5941 5.6002 5.6002 8.5640 8.5640 8.5907 8.5907 8.9915 8.9915 9.0157 9.0157 9.3763 9.3763 9.3978 9.3978 9.6145 9.6145 9.6577 9.6577 11.3576 11.3576 11.3747 11.3747 k =-0.3763 0.5029 0.2987 ( 2190 PWs) bands (ev): -3.6361 -3.6361 -3.6317 -3.6317 3.4997 3.4997 3.5060 3.5060 4.4797 4.4797 4.5004 4.5004 5.5966 5.5966 5.6029 5.6029 8.5480 8.5480 8.5736 8.5736 9.0063 9.0063 9.0314 9.0314 9.3690 9.3690 9.3855 9.3855 9.6288 9.6288 9.6677 9.6677 11.3391 11.3391 11.3561 11.3561 k =-0.3817 0.4935 0.2987 ( 2190 PWs) bands (ev): -3.6426 -3.6426 -3.6383 -3.6383 3.4563 3.4563 3.4626 3.4626 4.5547 4.5547 4.5753 4.5753 5.5993 5.5993 5.6059 5.6059 8.5310 8.5310 8.5556 8.5556 9.0218 9.0218 9.0481 9.0481 9.3616 9.3616 9.3743 9.3743 9.6434 9.6434 9.6786 9.6786 11.3190 11.3190 11.3358 11.3358 k =-0.3871 0.4842 0.2987 ( 2186 PWs) bands (ev): -3.6494 -3.6494 -3.6452 -3.6452 3.4144 3.4144 3.4206 3.4206 4.6308 4.6308 4.6514 4.6514 5.6023 5.6023 5.6092 5.6092 8.5132 8.5132 8.5367 8.5367 9.0378 9.0378 9.0655 9.0655 9.3542 9.3542 9.3646 9.3646 9.6584 9.6584 9.6902 9.6902 11.2974 11.2974 11.3140 11.3140 k =-0.3925 0.4749 0.2987 ( 2188 PWs) bands (ev): -3.6565 -3.6565 -3.6525 -3.6525 3.3740 3.3740 3.3801 3.3801 4.7076 4.7076 4.7283 4.7283 5.6055 5.6055 5.6128 5.6128 8.4946 8.4946 8.5172 8.5172 9.0541 9.0541 9.0835 9.0835 9.3463 9.3463 9.3569 9.3569 9.6736 9.6736 9.7024 9.7024 11.2745 11.2745 11.2908 11.2908 k =-0.3978 0.4656 0.2987 ( 2188 PWs) bands (ev): -3.6638 -3.6638 -3.6599 -3.6599 3.3352 3.3352 3.3412 3.3412 4.7846 4.7846 4.8054 4.8054 5.6090 5.6090 5.6168 5.6168 8.4754 8.4754 8.4970 8.4970 9.0704 9.0704 9.1019 9.1019 9.3382 9.3382 9.3513 9.3513 9.6893 9.6893 9.7154 9.7154 11.2502 11.2502 11.2663 11.2663 k =-0.4032 0.4563 0.2987 ( 2188 PWs) bands (ev): -3.6712 -3.6712 -3.6674 -3.6674 3.2982 3.2982 3.3039 3.3039 4.8613 4.8613 4.8823 4.8823 5.6129 5.6129 5.6211 5.6211 8.4557 8.4557 8.4765 8.4765 9.0867 9.0867 9.1207 9.1207 9.3304 9.3304 9.3472 9.3472 9.7056 9.7056 9.7292 9.7292 11.2247 11.2247 11.2405 11.2405 k =-0.4086 0.4470 0.2987 ( 2184 PWs) bands (ev): -3.6786 -3.6786 -3.6750 -3.6750 3.2629 3.2629 3.2684 3.2684 4.9373 4.9373 4.9586 4.9586 5.6171 5.6171 5.6259 5.6259 8.4357 8.4357 8.4557 8.4557 9.1027 9.1027 9.1396 9.1396 9.3233 9.3233 9.3446 9.3446 9.7225 9.7225 9.7438 9.7438 11.1981 11.1981 11.2134 11.2134 k =-0.4140 0.4377 0.2987 ( 2176 PWs) bands (ev): -3.6860 -3.6860 -3.6826 -3.6826 3.2294 3.2294 3.2347 3.2347 5.0120 5.0120 5.0336 5.0336 5.6219 5.6219 5.6313 5.6313 8.4154 8.4154 8.4347 8.4347 9.1183 9.1183 9.1585 9.1585 9.3170 9.3170 9.3434 9.3434 9.7404 9.7404 9.7595 9.7595 11.1702 11.1702 11.1852 11.1852 k =-0.4194 0.4284 0.2987 ( 2176 PWs) bands (ev): -3.6933 -3.6933 -3.6900 -3.6900 3.1978 3.1978 3.2028 3.2028 5.0848 5.0848 5.1067 5.1067 5.6272 5.6272 5.6373 5.6373 8.3951 8.3951 8.4136 8.4136 9.1333 9.1333 9.1773 9.1773 9.3114 9.3114 9.3433 9.3433 9.7591 9.7591 9.7762 9.7762 11.1412 11.1412 11.1557 11.1557 k =-0.4247 0.4190 0.2987 ( 2172 PWs) bands (ev): -3.7004 -3.7004 -3.6973 -3.6973 3.1681 3.1681 3.1728 3.1728 5.1551 5.1551 5.1773 5.1773 5.6334 5.6334 5.6443 5.6443 8.3748 8.3748 8.3926 8.3926 9.1477 9.1477 9.1959 9.1959 9.3067 9.3067 9.3444 9.3444 9.7790 9.7790 9.7942 9.7942 11.1110 11.1110 11.1251 11.1251 k =-0.4301 0.4097 0.2987 ( 2172 PWs) bands (ev): -3.7072 -3.7072 -3.7044 -3.7044 3.1403 3.1403 3.1447 3.1447 5.2220 5.2220 5.2446 5.2446 5.6407 5.6407 5.6524 5.6524 8.3547 8.3547 8.3718 8.3718 9.1612 9.1612 9.2140 9.2140 9.3027 9.3027 9.3465 9.3465 9.8000 9.8000 9.8136 9.8136 11.0797 11.0797 11.0933 11.0933 k =-0.4355 0.4004 0.2987 ( 2180 PWs) bands (ev): -3.7138 -3.7138 -3.7111 -3.7111 3.1145 3.1145 3.1186 3.1186 5.2846 5.2846 5.3075 5.3075 5.6496 5.6496 5.6621 5.6621 8.3350 8.3350 8.3513 8.3513 9.1737 9.1737 9.2314 9.2314 9.2993 9.2993 9.3494 9.3494 9.8224 9.8224 9.8345 9.8345 11.0473 11.0473 11.0604 11.0604 k =-0.4409 0.3911 0.2987 ( 2180 PWs) bands (ev): -3.7200 -3.7200 -3.7176 -3.7176 3.0906 3.0906 3.0944 3.0944 5.3420 5.3420 5.3649 5.3649 5.6608 5.6608 5.6740 5.6740 8.3158 8.3158 8.3313 8.3313 9.1854 9.1854 9.2481 9.2481 9.2967 9.2967 9.3530 9.3530 9.8462 9.8462 9.8571 9.8571 11.0140 11.0140 11.0265 11.0265 k =-0.4462 0.3818 0.2987 ( 2184 PWs) bands (ev): -3.7259 -3.7259 -3.7236 -3.7236 3.0688 3.0688 3.0723 3.0723 5.3930 5.3930 5.4155 5.4155 5.6751 5.6751 5.6886 5.6886 8.2975 8.2975 8.3120 8.3120 9.1962 9.1962 9.2634 9.2634 9.2949 9.2949 9.3569 9.3569 9.8715 9.8715 9.8812 9.8812 10.9799 10.9799 10.9918 10.9918 k =-0.4516 0.3725 0.2987 ( 2176 PWs) bands (ev): -3.7313 -3.7313 -3.7292 -3.7292 3.0490 3.0490 3.0522 3.0522 5.4366 5.4366 5.4579 5.4579 5.6934 5.6934 5.7065 5.7065 8.2801 8.2801 8.2936 8.2936 9.2062 9.2062 9.2766 9.2766 9.2948 9.2948 9.3610 9.3610 9.8981 9.8981 9.9069 9.9069 10.9451 10.9451 10.9564 10.9564 k =-0.4570 0.3632 0.2987 ( 2174 PWs) bands (ev): -3.7362 -3.7362 -3.7344 -3.7344 3.0313 3.0313 3.0341 3.0341 5.4722 5.4722 5.4916 5.4916 5.7157 5.7157 5.7276 5.7276 8.2638 8.2638 8.2762 8.2762 9.2154 9.2154 9.2836 9.2836 9.3000 9.3000 9.3648 9.3648 9.9259 9.9259 9.9339 9.9339 10.9101 10.9101 10.9206 10.9206 k =-0.4624 0.3539 0.2987 ( 2174 PWs) bands (ev): -3.7406 -3.7406 -3.7390 -3.7390 3.0156 3.0156 3.0181 3.0181 5.5000 5.5000 5.5167 5.5167 5.7412 5.7412 5.7514 5.7514 8.2489 8.2489 8.2601 8.2601 9.2239 9.2239 9.2843 9.2843 9.3104 9.3104 9.3682 9.3682 9.9543 9.9543 9.9616 9.9616 10.8752 10.8752 10.8849 10.8849 k =-0.4677 0.3445 0.2987 ( 2174 PWs) bands (ev): -3.7445 -3.7445 -3.7431 -3.7431 3.0020 3.0020 3.0041 3.0041 5.5210 5.5210 5.5347 5.5347 5.7681 5.7681 5.7763 5.7763 8.2356 8.2356 8.2454 8.2454 9.2317 9.2317 9.2831 9.2831 9.3214 9.3214 9.3709 9.3709 9.9829 9.9829 9.9895 9.9895 10.8411 10.8411 10.8500 10.8500 k =-0.4731 0.3352 0.2987 ( 2168 PWs) bands (ev): -3.7478 -3.7478 -3.7467 -3.7467 2.9905 2.9905 2.9923 2.9923 5.5365 5.5365 5.5473 5.5473 5.7944 5.7944 5.8007 5.8007 8.2242 8.2242 8.2326 8.2326 9.2388 9.2388 9.2814 9.2814 9.3317 9.3317 9.3728 9.3728 10.0109 10.0109 10.0168 10.0168 10.8087 10.8087 10.8166 10.8166 k =-0.4785 0.3259 0.2987 ( 2172 PWs) bands (ev): -3.7505 -3.7505 -3.7496 -3.7496 2.9811 2.9811 2.9826 2.9826 5.5477 5.5477 5.5559 5.5559 5.8180 5.8180 5.8227 5.8227 8.2146 8.2146 8.2215 8.2215 9.2454 9.2454 9.2792 9.2792 9.3410 9.3410 9.3737 9.3737 10.0371 10.0371 10.0422 10.0422 10.7792 10.7792 10.7859 10.7859 k =-0.4839 0.3166 0.2987 ( 2168 PWs) bands (ev): -3.7526 -3.7526 -3.7519 -3.7519 2.9739 2.9739 2.9749 2.9749 5.5557 5.5557 5.5616 5.5616 5.8378 5.8378 5.8410 5.8410 8.2072 8.2072 8.2124 8.2124 9.2515 9.2515 9.2767 9.2767 9.3492 9.3492 9.3736 9.3736 10.0603 10.0603 10.0644 10.0644 10.7538 10.7538 10.7592 10.7592 k =-0.4892 0.3073 0.2987 ( 2172 PWs) bands (ev): -3.7541 -3.7541 -3.7537 -3.7537 2.9687 2.9687 2.9694 2.9694 5.5612 5.5612 5.5650 5.5650 5.8526 5.8526 5.8547 5.8547 8.2021 8.2021 8.2056 8.2056 9.2570 9.2570 9.2737 9.2737 9.3561 9.3561 9.3724 9.3724 10.0788 10.0788 10.0817 10.0817 10.7343 10.7343 10.7381 10.7381 k =-0.4946 0.2980 0.2987 ( 2176 PWs) bands (ev): -3.7550 -3.7550 -3.7547 -3.7547 2.9657 2.9657 2.9661 2.9661 5.5647 5.5647 5.5666 5.5666 5.8619 5.8619 5.8629 5.8629 8.1993 8.1993 8.2011 8.2011 9.2619 9.2619 9.2702 9.2702 9.3619 9.3619 9.3701 9.3701 10.0910 10.0910 10.0925 10.0925 10.7222 10.7222 10.7242 10.7242 k =-0.5000 0.2887 0.2987 ( 2164 PWs) bands (ev): -3.7552 -3.7552 -3.7552 -3.7552 2.9648 2.9648 2.9648 2.9648 5.5665 5.5665 5.5665 5.5665 5.8654 5.8654 5.8654 5.8654 8.1991 8.1991 8.1991 8.1991 9.2663 9.2663 9.2663 9.2663 9.3666 9.3666 9.3666 9.3666 10.0958 10.0958 10.0958 10.0958 10.7188 10.7188 10.7188 10.7188 k =-0.5000 0.2887 0.2987 ( 2164 PWs) bands (ev): -3.7552 -3.7552 -3.7552 -3.7552 2.9648 2.9648 2.9648 2.9648 5.5665 5.5665 5.5665 5.5665 5.8654 5.8654 5.8654 5.8654 8.1991 8.1991 8.1991 8.1991 9.2663 9.2663 9.2663 9.2663 9.3666 9.3666 9.3666 9.3666 10.0958 10.0958 10.0958 10.0958 10.7188 10.7188 10.7188 10.7188 k =-0.5000 0.2887 0.2876 ( 2172 PWs) bands (ev): -3.7598 -3.7598 -3.7506 -3.7506 2.9333 2.9333 2.9985 2.9985 5.5520 5.5520 5.5786 5.5786 5.8431 5.8431 5.8881 5.8881 8.1605 8.1605 8.2367 8.2367 9.2621 9.2621 9.2704 9.2704 9.3612 9.3612 9.3720 9.3720 10.0260 10.0260 10.1667 10.1667 10.6725 10.6725 10.7639 10.7639 k =-0.5000 0.2887 0.2766 ( 2170 PWs) bands (ev): -3.7646 -3.7646 -3.7461 -3.7461 2.9040 2.9040 3.0344 3.0344 5.5353 5.5353 5.5881 5.5881 5.8212 5.8212 5.9112 5.9112 8.1213 8.1213 8.2732 8.2732 9.2578 9.2578 9.2743 9.2743 9.3558 9.3558 9.3775 9.3775 9.9575 9.9575 10.2386 10.2386 10.6256 10.6256 10.8073 10.8073 k =-0.5000 0.2887 0.2655 ( 2162 PWs) bands (ev): -3.7693 -3.7693 -3.7418 -3.7418 2.8768 2.8768 3.0724 3.0724 5.5166 5.5166 5.5947 5.5947 5.8000 5.8000 5.9345 5.9345 8.0817 8.0817 8.3085 8.3085 9.2536 9.2536 9.2782 9.2782 9.3504 9.3504 9.3829 9.3829 9.8906 9.8906 10.3114 10.3114 10.5788 10.5788 10.8482 10.8482 k =-0.5000 0.2887 0.2544 ( 2164 PWs) bands (ev): -3.7741 -3.7741 -3.7376 -3.7376 2.8518 2.8518 3.1125 3.1125 5.4961 5.4961 5.5984 5.5984 5.7792 5.7792 5.9581 5.9581 8.0417 8.0417 8.3423 8.3423 9.2493 9.2493 9.2816 9.2816 9.3450 9.3450 9.3884 9.3884 9.8252 9.8252 10.3847 10.3847 10.5326 10.5326 10.8859 10.8859 k =-0.5000 0.2887 0.2434 ( 2160 PWs) bands (ev): -3.7790 -3.7790 -3.7335 -3.7335 2.8288 2.8288 3.1547 3.1547 5.4742 5.4742 5.5989 5.5989 5.7591 5.7591 5.9818 5.9818 8.0016 8.0016 8.3744 8.3744 9.2449 9.2449 9.2848 9.2848 9.3396 9.3396 9.3940 9.3940 9.7618 9.7618 10.4568 10.4568 10.4889 10.4889 10.9195 10.9195 k =-0.5000 0.2887 0.2323 ( 2156 PWs) bands (ev): -3.7838 -3.7838 -3.7296 -3.7296 2.8079 2.8079 3.1989 3.1989 5.4510 5.4510 5.5961 5.5961 5.7396 5.7396 6.0056 6.0056 7.9618 7.9618 8.4048 8.4048 9.2406 9.2406 9.2875 9.2875 9.3343 9.3343 9.3996 9.3996 9.7005 9.7005 10.4410 10.4410 10.5344 10.5344 10.9487 10.9487 k =-0.5000 0.2887 0.2212 ( 2160 PWs) bands (ev): -3.7885 -3.7885 -3.7258 -3.7258 2.7890 2.7890 3.2451 3.2451 5.4267 5.4267 5.5899 5.5899 5.7207 5.7207 6.0294 6.0294 7.9222 7.9222 8.4332 8.4332 9.2362 9.2362 9.2896 9.2896 9.3288 9.3288 9.4051 9.4051 9.6417 9.6417 10.3982 10.3982 10.6084 10.6084 10.9728 10.9728 k =-0.5000 0.2887 0.2102 ( 2168 PWs) bands (ev): -3.7933 -3.7933 -3.7222 -3.7222 2.7720 2.7720 3.2932 3.2932 5.4017 5.4017 5.5802 5.5802 5.7025 5.7025 6.0531 6.0531 7.8831 7.8831 8.4595 8.4595 9.2318 9.2318 9.2907 9.2907 9.3232 9.3232 9.4106 9.4106 9.5860 9.5860 10.3566 10.3566 10.6826 10.6826 10.9918 10.9918 k =-0.5000 0.2887 0.1991 ( 2168 PWs) bands (ev): -3.7979 -3.7979 -3.7188 -3.7188 2.7569 2.7569 3.3430 3.3430 5.3760 5.3760 5.5670 5.5670 5.6850 5.6850 6.0767 6.0767 7.8448 7.8448 8.4837 8.4837 9.2274 9.2274 9.2905 9.2905 9.3175 9.3175 9.4161 9.4161 9.5341 9.5341 10.3167 10.3167 10.7566 10.7566 11.0058 11.0058 k =-0.5000 0.2887 0.1881 ( 2172 PWs) bands (ev): -3.8024 -3.8024 -3.7156 -3.7156 2.7435 2.7435 3.3945 3.3945 5.3500 5.3500 5.5502 5.5502 5.6683 5.6683 6.0999 6.0999 7.8073 7.8073 8.5058 8.5058 9.2230 9.2230 9.2877 9.2877 9.3116 9.3116 9.4210 9.4210 9.4877 9.4877 10.2787 10.2787 10.8300 10.8300 11.0153 11.0153 k =-0.5000 0.2887 0.1770 ( 2170 PWs) bands (ev): -3.8069 -3.8069 -3.7125 -3.7125 2.7318 2.7318 3.4475 3.4475 5.3239 5.3239 5.5299 5.5299 5.6524 5.6524 6.1228 6.1228 7.7709 7.7709 8.5258 8.5258 9.2184 9.2184 9.2803 9.2803 9.3062 9.3062 9.4229 9.4229 9.4513 9.4513 10.2426 10.2426 10.9022 10.9022 11.0211 11.0211 k =-0.5000 0.2887 0.1659 ( 2174 PWs) bands (ev): -3.8111 -3.8111 -3.7097 -3.7097 2.7216 2.7216 3.5019 3.5019 5.2980 5.2980 5.5061 5.5061 5.6372 5.6372 6.1452 6.1452 7.7357 7.7357 8.5436 8.5436 9.2131 9.2131 9.2660 9.2660 9.3017 9.3017 9.4082 9.4082 9.4406 9.4406 10.2086 10.2086 10.9720 10.9720 11.0249 11.0249 k =-0.5000 0.2887 0.1549 ( 2178 PWs) bands (ev): -3.8152 -3.8152 -3.7070 -3.7070 2.7130 2.7130 3.5574 3.5574 5.2723 5.2723 5.4790 5.4790 5.6230 5.6230 6.1669 6.1669 7.7020 7.7020 8.5593 8.5593 9.2057 9.2057 9.2454 9.2454 9.2980 9.2980 9.3892 9.3892 9.4442 9.4442 10.1767 10.1767 11.0155 11.0155 11.0511 11.0511 k =-0.5000 0.2887 0.1438 ( 2174 PWs) bands (ev): -3.8192 -3.8192 -3.7046 -3.7046 2.7056 2.7056 3.6140 3.6140 5.2473 5.2473 5.4487 5.4487 5.6096 5.6096 6.1880 6.1880 7.6700 7.6700 8.5731 8.5731 9.1911 9.1911 9.2261 9.2261 9.2947 9.2947 9.3771 9.3771 9.4496 9.4496 10.1469 10.1469 11.0170 11.0170 11.1158 11.1158 k =-0.5000 0.2887 0.1327 ( 2168 PWs) bands (ev): -3.8229 -3.8229 -3.7023 -3.7023 2.6995 2.6995 3.6712 3.6712 5.2230 5.2230 5.4155 5.4155 5.5972 5.5972 6.2082 6.2082 7.6397 7.6397 8.5849 8.5849 9.1649 9.1649 9.2155 9.2155 9.2916 9.2916 9.3703 9.3703 9.4554 9.4554 10.1194 10.1194 11.0144 11.0144 11.1813 11.1813 k =-0.5000 0.2887 0.1217 ( 2172 PWs) bands (ev): -3.8264 -3.8264 -3.7002 -3.7002 2.6945 2.6945 3.7288 3.7288 5.1998 5.1998 5.3796 5.3796 5.5857 5.5857 6.2274 6.2274 7.6113 7.6113 8.5950 8.5950 9.1331 9.1331 9.2098 9.2098 9.2885 9.2885 9.3666 9.3666 9.4611 9.4611 10.0940 10.0940 11.0108 11.0108 11.2446 11.2446 k =-0.5000 0.2887 0.1106 ( 2172 PWs) bands (ev): -3.8297 -3.8297 -3.6984 -3.6984 2.6905 2.6905 3.7865 3.7865 5.1777 5.1777 5.3415 5.3415 5.5751 5.5751 6.2456 6.2456 7.5849 7.5849 8.6036 8.6036 9.1009 9.1009 9.2058 9.2058 9.2855 9.2855 9.3648 9.3648 9.4667 9.4667 10.0709 10.0709 11.0070 11.0070 11.3050 11.3050 k =-0.5000 0.2887 0.0996 ( 2176 PWs) bands (ev): -3.8327 -3.8327 -3.6967 -3.6967 2.6873 2.6873 3.8437 3.8437 5.1571 5.1571 5.3016 5.3016 5.5655 5.5655 6.2625 6.2625 7.5606 7.5606 8.6106 8.6106 9.0699 9.0699 9.2026 9.2026 9.2828 9.2828 9.3640 9.3640 9.4720 9.4720 10.0500 10.0500 11.0032 11.0032 11.3619 11.3619 k =-0.5000 0.2887 0.0885 ( 2174 PWs) bands (ev): -3.8354 -3.8354 -3.6952 -3.6952 2.6849 2.6849 3.9000 3.9000 5.1381 5.1381 5.2607 5.2607 5.5569 5.5569 6.2781 6.2781 7.5386 7.5386 8.6165 8.6165 9.0412 9.0412 9.2000 9.2000 9.2804 9.2804 9.3638 9.3638 9.4770 9.4770 10.0314 10.0314 10.9999 10.9999 11.4148 11.4148 k =-0.5000 0.2887 0.0774 ( 2168 PWs) bands (ev): -3.8378 -3.8378 -3.6939 -3.6939 2.6831 2.6831 3.9545 3.9545 5.1208 5.1208 5.2194 5.2194 5.5493 5.5493 6.2921 6.2921 7.5190 7.5190 8.6213 8.6213 9.0151 9.0151 9.1977 9.1977 9.2781 9.2781 9.3640 9.3640 9.4815 9.4815 10.0151 10.0151 10.9970 10.9970 11.4631 11.4631 k =-0.5000 0.2887 0.0664 ( 2172 PWs) bands (ev): -3.8400 -3.8400 -3.6927 -3.6927 2.6818 2.6818 4.0065 4.0065 5.1055 5.1055 5.1787 5.1787 5.5426 5.5426 6.3046 6.3046 7.5018 7.5018 8.6251 8.6251 8.9919 8.9919 9.1956 9.1956 9.2762 9.2762 9.3643 9.3643 9.4856 9.4856 10.0009 10.0009 10.9946 10.9946 11.5063 11.5063 k =-0.5000 0.2887 0.0553 ( 2188 PWs) bands (ev): -3.8418 -3.8418 -3.6918 -3.6918 2.6808 2.6808 4.0549 4.0549 5.0923 5.0923 5.1398 5.1398 5.5369 5.5369 6.3154 6.3154 7.4870 7.4870 8.6280 8.6280 8.9719 8.9719 9.1939 9.1939 9.2744 9.2744 9.3645 9.3645 9.4889 9.4889 9.9888 9.9888 10.9925 10.9925 11.5438 11.5438 k =-0.5000 0.2887 0.0442 ( 2190 PWs) bands (ev): -3.8433 -3.8433 -3.6910 -3.6910 2.6802 2.6802 4.0982 4.0982 5.0813 5.0813 5.1041 5.1041 5.5323 5.5323 6.3244 6.3244 7.4749 7.4749 8.6302 8.6302 8.9555 8.9555 9.1925 9.1925 9.2730 9.2730 9.3649 9.3649 9.4918 9.4918 9.9789 9.9789 10.9910 10.9910 11.5754 11.5754 k =-0.5000 0.2887 0.0332 ( 2194 PWs) bands (ev): -3.8445 -3.8445 -3.6904 -3.6904 2.6798 2.6798 4.1348 4.1348 5.0717 5.0717 5.0742 5.0742 5.5287 5.5287 6.3314 6.3314 7.4654 7.4654 8.6318 8.6318 8.9425 8.9425 9.1914 9.1914 9.2719 9.2719 9.3652 9.3652 9.4941 9.4941 9.9713 9.9713 10.9899 10.9899 11.6004 11.6004 k =-0.5000 0.2887 0.0221 ( 2192 PWs) bands (ev): -3.8454 -3.8454 -3.6900 -3.6900 2.6795 2.6795 4.1628 4.1628 5.0493 5.0493 5.0665 5.0665 5.5261 5.5261 6.3365 6.3365 7.4586 7.4586 8.6329 8.6329 8.9332 8.9332 9.1907 9.1907 9.2711 9.2711 9.3655 9.3655 9.4959 9.4959 9.9659 9.9659 10.9893 10.9893 11.6185 11.6185 k =-0.5000 0.2887 0.0111 ( 2196 PWs) bands (ev): -3.8459 -3.8459 -3.6897 -3.6897 2.6794 2.6794 4.1806 4.1806 5.0340 5.0340 5.0627 5.0627 5.5245 5.5245 6.3396 6.3396 7.4545 7.4545 8.6335 8.6335 8.9276 8.9276 9.1902 9.1902 9.2706 9.2706 9.3656 9.3656 9.4968 9.4968 9.9626 9.9626 10.9888 10.9888 11.6295 11.6295 k =-0.5000 0.2887 0.0000 ( 2196 PWs) bands (ev): -3.8461 -3.8461 -3.6896 -3.6896 2.6794 2.6794 4.1867 4.1867 5.0287 5.0287 5.0614 5.0614 5.5240 5.5240 6.3407 6.3407 7.4531 7.4531 8.6337 8.6337 8.9257 8.9257 9.1901 9.1901 9.2705 9.2705 9.3657 9.3657 9.4972 9.4972 9.9615 9.9615 10.9887 10.9887 11.6332 11.6332 k = 0.0000 0.0000 0.2987 ( 2172 PWs) bands (ev): -4.8411 -4.8411 -4.8411 -4.8411 4.6216 4.6216 4.6216 4.6216 6.3154 6.3154 6.3154 6.3154 6.3643 6.3643 6.3643 6.3643 8.6409 8.6409 8.6409 8.6409 8.6946 8.6946 8.6946 8.6946 8.9160 8.9160 8.9160 8.9160 10.6444 10.6444 10.6444 10.6444 10.6578 10.6578 10.6578 10.6578 k =-0.0094 0.0054 0.2987 ( 2170 PWs) bands (ev): -4.8404 -4.8404 -4.8403 -4.8403 4.6211 4.6211 4.6213 4.6213 6.3135 6.3135 6.3140 6.3140 6.3638 6.3638 6.3638 6.3638 8.6403 8.6403 8.6409 8.6409 8.6935 8.6935 8.6957 8.6957 8.9157 8.9157 8.9184 8.9184 10.6413 10.6413 10.6430 10.6430 10.6569 10.6569 10.6573 10.6573 k =-0.0189 0.0109 0.2987 ( 2158 PWs) bands (ev): -4.8381 -4.8381 -4.8380 -4.8380 4.6199 4.6199 4.6203 4.6203 6.3083 6.3083 6.3094 6.3094 6.3624 6.3624 6.3625 6.3625 8.6392 8.6392 8.6403 8.6403 8.6925 8.6925 8.6968 8.6968 8.9175 8.9175 8.9228 8.9228 10.6329 10.6329 10.6365 10.6365 10.6554 10.6554 10.6562 10.6562 k =-0.0283 0.0163 0.2987 ( 2158 PWs) bands (ev): -4.8342 -4.8342 -4.8341 -4.8341 4.6177 4.6177 4.6183 4.6183 6.2999 6.2999 6.3015 6.3015 6.3600 6.3600 6.3603 6.3603 8.6373 8.6373 8.6387 8.6387 8.6915 8.6915 8.6976 8.6976 8.9214 8.9214 8.9292 8.9292 10.6187 10.6187 10.6240 10.6240 10.6540 10.6540 10.6552 10.6552 k =-0.0377 0.0218 0.2987 ( 2158 PWs) bands (ev): -4.8289 -4.8289 -4.8287 -4.8287 4.6147 4.6147 4.6155 4.6155 6.2883 6.2883 6.2905 6.2905 6.3569 6.3569 6.3572 6.3572 8.6346 8.6346 8.6362 8.6362 8.6909 8.6909 8.6984 8.6984 8.9275 8.9275 8.9375 8.9375 10.5992 10.5992 10.6061 10.6061 10.6527 10.6527 10.6543 10.6543 k =-0.0472 0.0272 0.2987 ( 2158 PWs) bands (ev): -4.8219 -4.8219 -4.8217 -4.8217 4.6107 4.6107 4.6117 4.6117 6.2736 6.2736 6.2763 6.2763 6.3529 6.3529 6.3534 6.3534 8.6309 8.6309 8.6326 8.6326 8.6907 8.6907 8.6991 8.6991 8.9358 8.9358 8.9478 8.9478 10.5748 10.5748 10.5834 10.5834 10.6514 10.6514 10.6533 10.6533 k =-0.0566 0.0327 0.2987 ( 2158 PWs) bands (ev): -4.8135 -4.8135 -4.8133 -4.8133 4.6057 4.6057 4.6069 4.6069 6.2561 6.2561 6.2593 6.2593 6.3481 6.3481 6.3487 6.3487 8.6261 8.6261 8.6276 8.6276 8.6909 8.6909 8.6999 8.6999 8.9464 8.9464 8.9602 8.9602 10.5463 10.5463 10.5565 10.5565 10.6500 10.6500 10.6521 10.6521 k =-0.0660 0.0381 0.2987 ( 2158 PWs) bands (ev): -4.8036 -4.8036 -4.8033 -4.8033 4.5996 4.5996 4.6009 4.6009 6.2358 6.2358 6.2396 6.2396 6.3426 6.3426 6.3433 6.3433 8.6199 8.6199 8.6212 8.6212 8.6916 8.6916 8.7008 8.7008 8.9591 8.9591 8.9745 8.9745 10.5143 10.5143 10.5261 10.5261 10.6483 10.6483 10.6507 10.6507 k =-0.0755 0.0436 0.2987 ( 2158 PWs) bands (ev): -4.7922 -4.7922 -4.7919 -4.7919 4.5921 4.5921 4.5937 4.5937 6.2132 6.2132 6.2175 6.2175 6.3364 6.3364 6.3372 6.3372 8.6123 8.6123 8.6133 8.6133 8.6930 8.6930 8.7021 8.7021 8.9739 8.9739 8.9906 8.9906 10.4795 10.4795 10.4929 10.4929 10.6463 10.6463 10.6490 10.6490 k =-0.0849 0.0490 0.2987 ( 2166 PWs) bands (ev): -4.7793 -4.7793 -4.7790 -4.7790 4.5833 4.5833 4.5850 4.5850 6.1885 6.1885 6.1933 6.1933 6.3294 6.3294 6.3303 6.3303 8.6032 8.6032 8.6040 8.6040 8.6948 8.6948 8.7036 8.7036 8.9905 8.9905 9.0084 9.0084 10.4425 10.4425 10.4575 10.4575 10.6440 10.6440 10.6468 10.6468 k =-0.0943 0.0545 0.2987 ( 2166 PWs) bands (ev): -4.7651 -4.7651 -4.7646 -4.7646 4.5729 4.5729 4.5748 4.5748 6.1621 6.1621 6.1673 6.1673 6.3217 6.3217 6.3227 6.3227 8.5927 8.5927 8.5934 8.5934 8.6972 8.6972 8.7057 8.7057 9.0089 9.0089 9.0279 9.0279 10.4041 10.4041 10.4208 10.4208 10.6412 10.6412 10.6443 10.6443 k =-0.1038 0.0599 0.2987 ( 2164 PWs) bands (ev): -4.7493 -4.7493 -4.7489 -4.7489 4.5607 4.5607 4.5628 4.5628 6.1342 6.1342 6.1398 6.1398 6.3133 6.3133 6.3144 6.3144 8.5806 8.5806 8.5813 8.5813 8.7001 8.7001 8.7084 8.7084 9.0288 9.0288 9.0488 9.0488 10.3650 10.3650 10.3833 10.3833 10.6380 10.6380 10.6414 10.6414 k =-0.1132 0.0654 0.2987 ( 2168 PWs) bands (ev): -4.7323 -4.7323 -4.7318 -4.7318 4.5467 4.5467 4.5489 4.5489 6.1052 6.1052 6.1112 6.1112 6.3042 6.3042 6.3054 6.3054 8.5672 8.5672 8.5680 8.5680 8.7037 8.7037 8.7117 8.7117 9.0500 9.0500 9.0709 9.0709 10.3257 10.3257 10.3456 10.3456 10.6344 10.6344 10.6380 10.6380 k =-0.1226 0.0708 0.2987 ( 2164 PWs) bands (ev): -4.7139 -4.7139 -4.7133 -4.7133 4.5305 4.5305 4.5328 4.5328 6.0754 6.0754 6.0818 6.0818 6.2945 6.2945 6.2957 6.2957 8.5524 8.5524 8.5534 8.5534 8.7080 8.7080 8.7157 8.7157 9.0722 9.0722 9.0940 9.0940 10.2869 10.2869 10.3085 10.3085 10.6302 10.6302 10.6340 10.6340 k =-0.1321 0.0763 0.2987 ( 2168 PWs) bands (ev): -4.6941 -4.6941 -4.6936 -4.6936 4.5121 4.5121 4.5145 4.5145 6.0453 6.0453 6.0519 6.0519 6.2841 6.2841 6.2854 6.2854 8.5364 8.5364 8.5378 8.5378 8.7128 8.7128 8.7203 8.7203 9.0950 9.0950 9.1178 9.1178 10.2490 10.2490 10.2724 10.2724 10.6255 10.6255 10.6295 10.6295 k =-0.1415 0.0817 0.2987 ( 2166 PWs) bands (ev): -4.6731 -4.6731 -4.6726 -4.6726 4.4912 4.4912 4.4937 4.4937 6.0151 6.0151 6.0220 6.0220 6.2731 6.2731 6.2745 6.2745 8.5194 8.5194 8.5211 8.5211 8.7184 8.7184 8.7257 8.7257 9.1184 9.1184 9.1422 9.1422 10.2128 10.2128 10.2380 10.2380 10.6202 10.6202 10.6244 10.6244 k =-0.1509 0.0871 0.2987 ( 2164 PWs) bands (ev): -4.6509 -4.6509 -4.6503 -4.6503 4.4677 4.4677 4.4703 4.4703 5.9852 5.9852 5.9923 5.9923 6.2615 6.2615 6.2629 6.2629 8.5016 8.5016 8.5037 8.5037 8.7246 8.7246 8.7319 8.7319 9.1419 9.1419 9.1667 9.1667 10.1788 10.1788 10.2056 10.2056 10.6141 10.6141 10.6185 10.6185 k =-0.1604 0.0926 0.2987 ( 2172 PWs) bands (ev): -4.6276 -4.6276 -4.6269 -4.6269 4.4414 4.4414 4.4440 4.4440 5.9557 5.9557 5.9630 5.9630 6.2494 6.2494 6.2509 6.2509 8.4830 8.4830 8.4855 8.4855 8.7316 8.7316 8.7388 8.7388 9.1653 9.1653 9.1910 9.1910 10.1471 10.1471 10.1757 10.1757 10.6075 10.6075 10.6120 10.6120 k =-0.1698 0.0980 0.2987 ( 2168 PWs) bands (ev): -4.6031 -4.6031 -4.6024 -4.6024 4.4122 4.4122 4.4148 4.4148 5.9272 5.9272 5.9346 5.9346 6.2368 6.2368 6.2383 6.2383 8.4639 8.4639 8.4668 8.4668 8.7395 8.7395 8.7466 8.7466 9.1882 9.1882 9.2150 9.2150 10.1186 10.1186 10.1489 10.1489 10.6001 10.6001 10.6049 10.6049 k =-0.1792 0.1035 0.2987 ( 2168 PWs) bands (ev): -4.5775 -4.5775 -4.5768 -4.5768 4.3801 4.3801 4.3826 4.3826 5.8998 5.8998 5.9072 5.9072 6.2237 6.2237 6.2253 6.2253 8.4444 8.4444 8.4477 8.4477 8.7482 8.7482 8.7553 8.7553 9.2103 9.2103 9.2382 9.2382 10.0934 10.0934 10.1254 10.1254 10.5920 10.5920 10.5969 10.5969 k =-0.1887 0.1089 0.2987 ( 2160 PWs) bands (ev): -4.5509 -4.5509 -4.5502 -4.5502 4.3450 4.3450 4.3475 4.3475 5.8736 5.8736 5.8811 5.8811 6.2103 6.2103 6.2118 6.2118 8.4248 8.4248 8.4286 8.4286 8.7578 8.7578 8.7648 8.7648 9.2314 9.2314 9.2602 9.2602 10.0721 10.0721 10.1056 10.1056 10.5832 10.5832 10.5883 10.5883 k =-0.1981 0.1144 0.2987 ( 2164 PWs) bands (ev): -4.5234 -4.5234 -4.5227 -4.5227 4.3068 4.3068 4.3093 4.3093 5.8488 5.8488 5.8563 5.8563 6.1964 6.1964 6.1980 6.1980 8.4051 8.4051 8.4092 8.4092 8.7681 8.7681 8.7751 8.7751 9.2510 9.2510 9.2807 9.2807 10.0549 10.0549 10.0898 10.0898 10.5736 10.5736 10.5787 10.5787 k =-0.2075 0.1198 0.2987 ( 2160 PWs) bands (ev): -4.4951 -4.4951 -4.4943 -4.4943 4.2658 4.2658 4.2682 4.2682 5.8255 5.8255 5.8329 5.8329 6.1823 6.1823 6.1839 6.1839 8.3857 8.3857 8.3900 8.3900 8.7794 8.7794 8.7864 8.7864 9.2691 9.2691 9.2994 9.2994 10.0422 10.0422 10.0782 10.0782 10.5632 10.5632 10.5685 10.5685 k =-0.2170 0.1253 0.2987 ( 2164 PWs) bands (ev): -4.4659 -4.4659 -4.4651 -4.4651 4.2220 4.2220 4.2242 4.2242 5.8038 5.8038 5.8110 5.8110 6.1678 6.1678 6.1694 6.1694 8.3665 8.3665 8.3711 8.3711 8.7915 8.7915 8.7985 8.7985 9.2852 9.2852 9.3161 9.3161 10.0341 10.0341 10.0711 10.0711 10.5520 10.5520 10.5574 10.5574 k =-0.2264 0.1307 0.2987 ( 2168 PWs) bands (ev): -4.4360 -4.4360 -4.4352 -4.4352 4.1755 4.1755 4.1776 4.1776 5.7836 5.7836 5.7907 5.7907 6.1532 6.1532 6.1548 6.1548 8.3479 8.3479 8.3527 8.3527 8.8045 8.8045 8.8115 8.8115 9.2993 9.2993 9.3303 9.3303 10.0309 10.0309 10.0684 10.0684 10.5400 10.5400 10.5455 10.5455 k =-0.2358 0.1362 0.2987 ( 2174 PWs) bands (ev): -4.4055 -4.4055 -4.4047 -4.4047 4.1266 4.1266 4.1285 4.1285 5.7649 5.7649 5.7718 5.7718 6.1384 6.1384 6.1400 6.1400 8.3299 8.3299 8.3349 8.3349 8.8184 8.8184 8.8253 8.8253 9.3113 9.3113 9.3423 9.3423 10.0324 10.0324 10.0702 10.0702 10.5273 10.5273 10.5329 10.5329 k =-0.2453 0.1416 0.2987 ( 2170 PWs) bands (ev): -4.3745 -4.3745 -4.3736 -4.3736 4.0755 4.0755 4.0772 4.0772 5.7477 5.7477 5.7545 5.7545 6.1235 6.1235 6.1251 6.1251 8.3129 8.3129 8.3179 8.3179 8.8331 8.8331 8.8400 8.8400 9.3213 9.3213 9.3519 9.3519 10.0387 10.0387 10.0764 10.0764 10.5137 10.5137 10.5194 10.5194 k =-0.2547 0.1471 0.2987 ( 2174 PWs) bands (ev): -4.3430 -4.3430 -4.3421 -4.3421 4.0224 4.0224 4.0240 4.0240 5.7319 5.7319 5.7384 5.7384 6.1086 6.1086 6.1101 6.1101 8.2967 8.2967 8.3018 8.3018 8.8486 8.8486 8.8555 8.8555 9.3293 9.3293 9.3592 9.3592 10.0495 10.0495 10.0867 10.0867 10.4995 10.4995 10.5052 10.5052 k =-0.2642 0.1525 0.2987 ( 2178 PWs) bands (ev): -4.3111 -4.3111 -4.3102 -4.3102 3.9678 3.9678 3.9692 3.9692 5.7174 5.7174 5.7236 5.7236 6.0937 6.0937 6.0952 6.0952 8.2816 8.2816 8.2868 8.2868 8.8649 8.8649 8.8717 8.8717 9.3354 9.3354 9.3644 9.3644 10.0645 10.0645 10.1009 10.1009 10.4844 10.4844 10.4903 10.4903 k =-0.2736 0.1580 0.2987 ( 2174 PWs) bands (ev): -4.2790 -4.2790 -4.2781 -4.2781 3.9118 3.9118 3.9130 3.9130 5.7040 5.7040 5.7100 5.7100 6.0789 6.0789 6.0804 6.0804 8.2677 8.2677 8.2728 8.2728 8.8820 8.8820 8.8888 8.8888 9.3400 9.3400 9.3678 9.3678 10.0832 10.0832 10.1186 10.1186 10.4688 10.4688 10.4747 10.4747 k =-0.2830 0.1634 0.2987 ( 2166 PWs) bands (ev): -4.2467 -4.2467 -4.2458 -4.2458 3.8548 3.8548 3.8559 3.8559 5.6917 5.6917 5.6974 5.6974 6.0642 6.0642 6.0657 6.0657 8.2550 8.2550 8.2600 8.2600 8.8999 8.8999 8.9067 8.9067 9.3433 9.3433 9.3698 9.3698 10.1052 10.1052 10.1395 10.1395 10.4525 10.4525 10.4585 10.4585 k =-0.2925 0.1688 0.2987 ( 2162 PWs) bands (ev): -4.2144 -4.2144 -4.2135 -4.2135 3.7972 3.7972 3.7981 3.7981 5.6804 5.6804 5.6858 5.6858 6.0497 6.0497 6.0511 6.0511 8.2436 8.2436 8.2485 8.2485 8.9185 8.9185 8.9251 8.9251 9.3455 9.3455 9.3706 9.3706 10.1300 10.1300 10.1631 10.1631 10.4356 10.4356 10.4417 10.4417 k =-0.3019 0.1743 0.2987 ( 2160 PWs) bands (ev): -4.1822 -4.1822 -4.1813 -4.1813 3.7392 3.7392 3.7400 3.7400 5.6698 5.6698 5.6750 5.6750 6.0354 6.0354 6.0368 6.0368 8.2333 8.2333 8.2381 8.2381 8.9375 8.9375 8.9441 8.9441 9.3468 9.3468 9.3706 9.3706 10.1572 10.1572 10.1890 10.1890 10.4182 10.4182 10.4244 10.4244 k =-0.3113 0.1797 0.2987 ( 2158 PWs) bands (ev): -4.1502 -4.1502 -4.1493 -4.1493 3.6813 3.6813 3.6819 3.6819 5.6601 5.6601 5.6649 5.6649 6.0214 6.0214 6.0227 6.0227 8.2244 8.2244 8.2290 8.2290 8.9572 8.9572 8.9636 8.9636 9.3476 9.3476 9.3699 9.3699 10.1862 10.1862 10.2166 10.2166 10.4004 10.4004 10.4067 10.4067 k =-0.3208 0.1852 0.2987 ( 2156 PWs) bands (ev): -4.1185 -4.1185 -4.1176 -4.1176 3.6237 3.6237 3.6242 3.6242 5.6509 5.6509 5.6555 5.6555 6.0078 6.0078 6.0090 6.0090 8.2167 8.2167 8.2211 8.2211 8.9773 8.9773 8.9836 8.9836 9.3478 9.3478 9.3688 9.3688 10.2164 10.2164 10.2456 10.2456 10.3825 10.3825 10.3890 10.3890 k =-0.3302 0.1906 0.2987 ( 2156 PWs) bands (ev): -4.0872 -4.0872 -4.0864 -4.0864 3.5668 3.5668 3.5671 3.5671 5.6424 5.6424 5.6467 5.6467 5.9945 5.9945 5.9957 5.9957 8.2102 8.2102 8.2144 8.2144 8.9977 8.9977 9.0039 9.0039 9.3478 9.3478 9.3674 9.3674 10.2471 10.2471 10.2748 10.2748 10.3654 10.3654 10.3718 10.3718 k =-0.3396 0.1961 0.2987 ( 2160 PWs) bands (ev): -4.0566 -4.0566 -4.0558 -4.0558 3.5108 3.5108 3.5111 3.5111 5.6344 5.6344 5.6384 5.6384 5.9817 5.9817 5.9828 5.9828 8.2048 8.2048 8.2088 8.2088 9.0184 9.0184 9.0244 9.0244 9.3477 9.3477 9.3660 9.3660 10.2762 10.2762 10.3007 10.3007 10.3521 10.3521 10.3568 10.3568 k =-0.3491 0.2015 0.2987 ( 2160 PWs) bands (ev): -4.0267 -4.0267 -4.0259 -4.0259 3.4562 3.4562 3.4563 3.4563 5.6269 5.6269 5.6306 5.6306 5.9693 5.9693 5.9704 5.9704 8.2005 8.2005 8.2042 8.2042 9.0393 9.0393 9.0451 9.0451 9.3476 9.3476 9.3646 9.3646 10.2958 10.2958 10.3080 10.3080 10.3517 10.3517 10.3580 10.3580 k =-0.3585 0.2070 0.2987 ( 2160 PWs) bands (ev): -3.9977 -3.9977 -3.9969 -3.9969 3.4031 3.4031 3.4032 3.4032 5.6199 5.6199 5.6233 5.6233 5.9575 5.9575 5.9585 5.9585 8.1972 8.1972 8.2007 8.2007 9.0603 9.0603 9.0659 9.0659 9.3476 9.3476 9.3633 9.3633 10.2935 10.2935 10.2951 10.2951 10.3689 10.3689 10.3846 10.3846 k =-0.3679 0.2124 0.2987 ( 2164 PWs) bands (ev): -3.9697 -3.9697 -3.9689 -3.9689 3.3520 3.3520 3.3520 3.3520 5.6132 5.6132 5.6164 5.6164 5.9462 5.9462 5.9472 5.9472 8.1947 8.1947 8.1980 8.1980 9.0812 9.0812 9.0866 9.0866 9.3477 9.3477 9.3622 9.3622 10.2772 10.2772 10.2788 10.2788 10.3984 10.3984 10.4160 10.4160 k =-0.3774 0.2179 0.2987 ( 2164 PWs) bands (ev): -3.9428 -3.9428 -3.9421 -3.9421 3.3029 3.3029 3.3030 3.3030 5.6070 5.6070 5.6100 5.6100 5.9356 5.9356 5.9365 5.9365 8.1931 8.1931 8.1961 8.1961 9.1019 9.1019 9.1070 9.1070 9.3481 9.3481 9.3613 9.3613 10.2584 10.2584 10.2611 10.2611 10.4311 10.4311 10.4485 10.4485 k =-0.3868 0.2233 0.2987 ( 2164 PWs) bands (ev): -3.9172 -3.9172 -3.9165 -3.9165 3.2564 3.2564 3.2564 3.2564 5.6012 5.6012 5.6039 5.6039 5.9256 5.9256 5.9264 5.9264 8.1922 8.1922 8.1949 8.1949 9.1223 9.1223 9.1271 9.1271 9.3486 9.3486 9.3607 9.3607 10.2393 10.2393 10.2425 10.2425 10.4643 10.4643 10.4810 10.4810 k =-0.3962 0.2288 0.2987 ( 2168 PWs) bands (ev): -3.8931 -3.8931 -3.8924 -3.8924 3.2125 3.2125 3.2126 3.2126 5.5958 5.5958 5.5982 5.5982 5.9162 5.9162 5.9170 5.9170 8.1918 8.1918 8.1943 8.1943 9.1421 9.1421 9.1466 9.1466 9.3493 9.3493 9.3602 9.3602 10.2205 10.2205 10.2238 10.2238 10.4973 10.4973 10.5129 10.5129 k =-0.4057 0.2342 0.2987 ( 2168 PWs) bands (ev): -3.8705 -3.8705 -3.8699 -3.8699 3.1715 3.1715 3.1717 3.1717 5.5908 5.5908 5.5930 5.5930 5.9076 5.9076 5.9083 5.9083 8.1919 8.1919 8.1941 8.1941 9.1612 9.1612 9.1653 9.1653 9.3504 9.3504 9.3601 9.3601 10.2021 10.2021 10.2055 10.2055 10.5294 10.5294 10.5440 10.5440 k =-0.4151 0.2397 0.2987 ( 2168 PWs) bands (ev): -3.8496 -3.8496 -3.8490 -3.8490 3.1338 3.1338 3.1339 3.1339 5.5863 5.5863 5.5882 5.5882 5.8997 5.8997 5.9004 5.9004 8.1924 8.1924 8.1944 8.1944 9.1793 9.1793 9.1830 9.1830 9.3518 9.3518 9.3603 9.3603 10.1844 10.1844 10.1877 10.1877 10.5603 10.5603 10.5736 10.5736 k =-0.4245 0.2451 0.2987 ( 2168 PWs) bands (ev): -3.8305 -3.8305 -3.8300 -3.8300 3.0994 3.0994 3.0995 3.0995 5.5822 5.5822 5.5839 5.5839 5.8926 5.8926 5.8932 5.8932 8.1931 8.1931 8.1949 8.1949 9.1963 9.1963 9.1996 9.1996 9.3533 9.3533 9.3607 9.3607 10.1677 10.1677 10.1709 10.1709 10.5896 10.5896 10.6016 10.6016 k =-0.4340 0.2505 0.2987 ( 2172 PWs) bands (ev): -3.8134 -3.8134 -3.8129 -3.8129 3.0686 3.0686 3.0687 3.0687 5.5785 5.5785 5.5799 5.5799 5.8863 5.8863 5.8868 5.8868 8.1940 8.1940 8.1955 8.1955 9.2119 9.2119 9.2147 9.2147 9.3551 9.3551 9.3613 9.3613 10.1521 10.1521 10.1551 10.1551 10.6168 10.6168 10.6274 10.6274 k =-0.4434 0.2560 0.2987 ( 2172 PWs) bands (ev): -3.7983 -3.7983 -3.7979 -3.7979 3.0415 3.0415 3.0417 3.0417 5.5752 5.5752 5.5765 5.5765 5.8808 5.8808 5.8812 5.8812 8.1950 8.1950 8.1963 8.1963 9.2258 9.2258 9.2281 9.2281 9.3571 9.3571 9.3622 9.3622 10.1380 10.1380 10.1407 10.1407 10.6416 10.6416 10.6508 10.6508 k =-0.4528 0.2614 0.2987 ( 2166 PWs) bands (ev): -3.7853 -3.7853 -3.7850 -3.7850 3.0184 3.0184 3.0185 3.0185 5.5725 5.5725 5.5736 5.5736 5.8761 5.8761 5.8764 5.8764 8.1960 8.1960 8.1971 8.1971 9.2380 9.2380 9.2397 9.2397 9.3593 9.3593 9.3634 9.3634 10.1255 10.1255 10.1279 10.1279 10.6635 10.6635 10.6713 10.6713 k =-0.4623 0.2669 0.2987 ( 2168 PWs) bands (ev): -3.7746 -3.7746 -3.7743 -3.7743 2.9992 2.9992 2.9993 2.9993 5.5703 5.5703 5.5711 5.5711 5.8722 5.8722 5.8725 5.8725 8.1969 8.1969 8.1977 8.1977 9.2480 9.2480 9.2493 9.2493 9.3613 9.3613 9.3644 9.3644 10.1150 10.1150 10.1169 10.1169 10.6822 10.6822 10.6885 10.6885 k =-0.4717 0.2723 0.2987 ( 2172 PWs) bands (ev): -3.7662 -3.7662 -3.7660 -3.7660 2.9842 2.9842 2.9843 2.9843 5.5685 5.5685 5.5691 5.5691 5.8692 5.8692 5.8694 5.8694 8.1977 8.1977 8.1983 8.1983 9.2560 9.2560 9.2569 9.2569 9.3632 9.3632 9.3654 9.3654 10.1065 10.1065 10.1080 10.1080 10.6973 10.6973 10.7021 10.7021 k =-0.4811 0.2778 0.2987 ( 2168 PWs) bands (ev): -3.7601 -3.7601 -3.7600 -3.7600 2.9735 2.9735 2.9735 2.9735 5.5673 5.5673 5.5677 5.5677 5.8671 5.8671 5.8672 5.8672 8.1984 8.1984 8.1988 8.1988 9.2617 9.2617 9.2622 9.2622 9.3648 9.3648 9.3662 9.3662 10.1004 10.1004 10.1014 10.1014 10.7086 10.7086 10.7118 10.7118 k =-0.4906 0.2832 0.2987 ( 2172 PWs) bands (ev): -3.7564 -3.7564 -3.7564 -3.7564 2.9670 2.9670 2.9670 2.9670 5.5666 5.5666 5.5668 5.5668 5.8658 5.8658 5.8659 5.8659 8.1988 8.1988 8.1990 8.1990 9.2651 9.2651 9.2653 9.2653 9.3659 9.3659 9.3666 9.3666 10.0968 10.0968 10.0973 10.0973 10.7158 10.7158 10.7174 10.7174 k =-0.5000 0.2887 0.2987 ( 2164 PWs) bands (ev): -3.7552 -3.7552 -3.7552 -3.7552 2.9648 2.9648 2.9648 2.9648 5.5665 5.5665 5.5665 5.5665 5.8654 5.8654 5.8654 5.8654 8.1991 8.1991 8.1991 8.1991 9.2663 9.2663 9.2663 9.2663 9.3666 9.3666 9.3666 9.3666 10.0958 10.0958 10.0958 10.0958 10.7188 10.7188 10.7188 10.7188 Writing output data file FeS.save init_run : 2.52s CPU 13.14s WALL ( 1 calls) electrons : 296.07s CPU 301.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 296.03s CPU 300.91s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.96s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.55s WALL ( 1 calls) newd : 0.29s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 472 calls) cegterg : 264.66s CPU 266.83s WALL ( 581 calls) Called by sum_band: Called by *egterg: h_psi : 131.62s CPU 137.12s WALL ( 9825 calls) s_psi : 23.14s CPU 23.56s WALL ( 9825 calls) g_psi : 0.30s CPU 0.33s WALL ( 8772 calls) cdiaghg : 78.38s CPU 77.38s WALL ( 9244 calls) cegterg:over : 26.89s CPU 23.79s WALL ( 8772 calls) cegterg:upda : 2.33s CPU 4.24s WALL ( 8772 calls) cegterg:last : 3.01s CPU 3.95s WALL ( 2425 calls) Called by h_psi: h_psi:vloc : 91.33s CPU 95.70s WALL ( 9825 calls) h_psi:vnl : 40.22s CPU 41.09s WALL ( 9825 calls) add_vuspsi : 13.49s CPU 17.07s WALL ( 9825 calls) General routines calbec : 26.69s CPU 23.95s WALL ( 9825 calls) fft : 0.13s CPU 1.25s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 86.55s CPU 90.33s WALL ( 1051168 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 0.88s WALL ( 944 calls) Parallel routines fft_scatter : 59.35s CPU 62.67s WALL ( 1051191 calls) PWSCF : 5m41.42s CPU 7m14.26s WALL This run was terminated on: 4:39:56 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=