Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrSi2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 42 12 891 891 144 Max 44 44 13 893 893 147 Sum 1545 1545 465 32127 32127 5273 bravais-lattice index = 14 lattice parameter (alat) = 14.2449 a.u. unit-cell volume = 673.0165 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.244903 celldm(2)= 1.000000 celldm(3)= 0.486861 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.878232 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.878232 0.478236 0.000000 ) a(3) = ( 0.000000 0.000000 0.486861 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.836400 -0.000000 ) b(2) = ( 0.000000 2.091020 -0.000000 ) b(3) = ( 0.000000 0.000000 2.053972 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zr 4.00 91.22400 Zr( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( 0.2434307 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2434307 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0059157 0.0232336 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0118315 0.0464671 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0177472 0.0697007 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0236629 0.0929342 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0295787 0.1161678 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0354944 0.1394013 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0414101 0.1626349 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0473258 0.1858684 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0532416 0.2091020 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0591573 0.2323355 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0650730 0.2555691 -0.0000000), wk = 0.0023697 k( 13) = ( 0.0709888 0.2788026 -0.0000000), wk = 0.0023697 k( 14) = ( 0.0769045 0.3020362 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0828202 0.3252697 -0.0000000), wk = 0.0023697 k( 16) = ( 0.0887359 0.3485033 -0.0000000), wk = 0.0023697 k( 17) = ( 0.0946517 0.3717368 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1005674 0.3949704 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1064831 0.4182039 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1123989 0.4414375 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1183146 0.4646710 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1242303 0.4879046 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1301461 0.5111382 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1360618 0.5343717 -0.0000000), wk = 0.0023697 k( 25) = ( 0.1419775 0.5576053 -0.0000000), wk = 0.0023697 k( 26) = ( 0.1478933 0.5808388 -0.0000000), wk = 0.0023697 k( 27) = ( 0.1538090 0.6040724 -0.0000000), wk = 0.0023697 k( 28) = ( 0.1597247 0.6273059 -0.0000000), wk = 0.0023697 k( 29) = ( 0.1656404 0.6505395 -0.0000000), wk = 0.0023697 k( 30) = ( 0.1715562 0.6737730 -0.0000000), wk = 0.0023697 k( 31) = ( 0.1774719 0.6970066 -0.0000000), wk = 0.0023697 k( 32) = ( 0.1833876 0.7202401 -0.0000000), wk = 0.0023697 k( 33) = ( 0.1893034 0.7434737 -0.0000000), wk = 0.0023697 k( 34) = ( 0.1952191 0.7667072 -0.0000000), wk = 0.0023697 k( 35) = ( 0.2011348 0.7899408 -0.0000000), wk = 0.0023697 k( 36) = ( 0.2070505 0.8131743 -0.0000000), wk = 0.0023697 k( 37) = ( 0.2129663 0.8364079 -0.0000000), wk = 0.0023697 k( 38) = ( 0.2188820 0.8596414 -0.0000000), wk = 0.0023697 k( 39) = ( 0.2247977 0.8828750 -0.0000000), wk = 0.0023697 k( 40) = ( 0.2307135 0.9061085 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2366292 0.9293421 -0.0000000), wk = 0.0023697 k( 42) = ( 0.2425449 0.9525757 -0.0000000), wk = 0.0023697 k( 43) = ( 0.2484607 0.9758092 -0.0000000), wk = 0.0023697 k( 44) = ( 0.2543764 0.9990428 -0.0000000), wk = 0.0023697 k( 45) = ( 0.2602921 1.0222763 -0.0000000), wk = 0.0023697 k( 46) = ( 0.2662079 1.0455099 -0.0000000), wk = 0.0023697 k( 47) = ( 0.2662079 1.0455099 -0.0000000), wk = 0.0023697 k( 48) = ( 0.2440239 1.0455099 -0.0000000), wk = 0.0023697 k( 49) = ( 0.2218399 1.0455099 -0.0000000), wk = 0.0023697 k( 50) = ( 0.1996559 1.0455099 -0.0000000), wk = 0.0023697 k( 51) = ( 0.1774719 1.0455099 -0.0000000), wk = 0.0023697 k( 52) = ( 0.1552879 1.0455099 -0.0000000), wk = 0.0023697 k( 53) = ( 0.1331039 1.0455099 -0.0000000), wk = 0.0023697 k( 54) = ( 0.1109199 1.0455099 -0.0000000), wk = 0.0023697 k( 55) = ( 0.0887359 1.0455099 -0.0000000), wk = 0.0023697 k( 56) = ( 0.0665520 1.0455099 -0.0000000), wk = 0.0023697 k( 57) = ( 0.0443680 1.0455099 -0.0000000), wk = 0.0023697 k( 58) = ( 0.0221840 1.0455099 -0.0000000), wk = 0.0023697 k( 59) = ( 0.0000000 1.0455099 -0.0000000), wk = 0.0023697 k( 60) = ( 0.0000000 1.0455099 -0.0000000), wk = 0.0023697 k( 61) = ( 0.0000000 1.0455099 0.0238834), wk = 0.0023697 k( 62) = ( 0.0000000 1.0455099 0.0477668), wk = 0.0023697 k( 63) = ( 0.0000000 1.0455099 0.0716502), wk = 0.0023697 k( 64) = ( 0.0000000 1.0455099 0.0955336), wk = 0.0023697 k( 65) = ( 0.0000000 1.0455099 0.1194170), wk = 0.0023697 k( 66) = ( 0.0000000 1.0455099 0.1433004), wk = 0.0023697 k( 67) = ( 0.0000000 1.0455099 0.1671838), wk = 0.0023697 k( 68) = ( 0.0000000 1.0455099 0.1910672), wk = 0.0023697 k( 69) = ( 0.0000000 1.0455099 0.2149506), wk = 0.0023697 k( 70) = ( 0.0000000 1.0455099 0.2388340), wk = 0.0023697 k( 71) = ( 0.0000000 1.0455099 0.2627174), wk = 0.0023697 k( 72) = ( 0.0000000 1.0455099 0.2866008), wk = 0.0023697 k( 73) = ( 0.0000000 1.0455099 0.3104842), wk = 0.0023697 k( 74) = ( 0.0000000 1.0455099 0.3343676), wk = 0.0023697 k( 75) = ( 0.0000000 1.0455099 0.3582510), wk = 0.0023697 k( 76) = ( 0.0000000 1.0455099 0.3821344), wk = 0.0023697 k( 77) = ( 0.0000000 1.0455099 0.4060178), wk = 0.0023697 k( 78) = ( 0.0000000 1.0455099 0.4299012), wk = 0.0023697 k( 79) = ( 0.0000000 1.0455099 0.4537846), wk = 0.0023697 k( 80) = ( 0.0000000 1.0455099 0.4776680), wk = 0.0023697 k( 81) = ( 0.0000000 1.0455099 0.5015514), wk = 0.0023697 k( 82) = ( 0.0000000 1.0455099 0.5254348), wk = 0.0023697 k( 83) = ( 0.0000000 1.0455099 0.5493182), wk = 0.0023697 k( 84) = ( 0.0000000 1.0455099 0.5732016), wk = 0.0023697 k( 85) = ( 0.0000000 1.0455099 0.5970850), wk = 0.0023697 k( 86) = ( 0.0000000 1.0455099 0.6209684), wk = 0.0023697 k( 87) = ( 0.0000000 1.0455099 0.6448518), wk = 0.0023697 k( 88) = ( 0.0000000 1.0455099 0.6687352), wk = 0.0023697 k( 89) = ( 0.0000000 1.0455099 0.6926186), wk = 0.0023697 k( 90) = ( 0.0000000 1.0455099 0.7165020), wk = 0.0023697 k( 91) = ( 0.0000000 1.0455099 0.7403854), wk = 0.0023697 k( 92) = ( 0.0000000 1.0455099 0.7642688), wk = 0.0023697 k( 93) = ( 0.0000000 1.0455099 0.7881522), wk = 0.0023697 k( 94) = ( 0.0000000 1.0455099 0.8120356), wk = 0.0023697 k( 95) = ( 0.0000000 1.0455099 0.8359190), wk = 0.0023697 k( 96) = ( 0.0000000 1.0455099 0.8598024), wk = 0.0023697 k( 97) = ( 0.0000000 1.0455099 0.8836858), wk = 0.0023697 k( 98) = ( 0.0000000 1.0455099 0.9075692), wk = 0.0023697 k( 99) = ( 0.0000000 1.0455099 0.9314525), wk = 0.0023697 k( 100) = ( 0.0000000 1.0455099 0.9553360), wk = 0.0023697 k( 101) = ( 0.0000000 1.0455099 0.9792194), wk = 0.0023697 k( 102) = ( 0.0000000 1.0455099 1.0031027), wk = 0.0023697 k( 103) = ( 0.0000000 1.0455099 1.0269861), wk = 0.0023697 k( 104) = ( 0.0000000 1.0455099 1.0269861), wk = 0.0023697 k( 105) = ( 0.0221840 1.0455099 1.0269861), wk = 0.0023697 k( 106) = ( 0.0443680 1.0455099 1.0269861), wk = 0.0023697 k( 107) = ( 0.0665520 1.0455099 1.0269861), wk = 0.0023697 k( 108) = ( 0.0887359 1.0455099 1.0269861), wk = 0.0023697 k( 109) = ( 0.1109199 1.0455099 1.0269861), wk = 0.0023697 k( 110) = ( 0.1331039 1.0455099 1.0269861), wk = 0.0023697 k( 111) = ( 0.1552879 1.0455099 1.0269861), wk = 0.0023697 k( 112) = ( 0.1774719 1.0455099 1.0269861), wk = 0.0023697 k( 113) = ( 0.1996559 1.0455099 1.0269861), wk = 0.0023697 k( 114) = ( 0.2218399 1.0455099 1.0269861), wk = 0.0023697 k( 115) = ( 0.2440239 1.0455099 1.0269861), wk = 0.0023697 k( 116) = ( 0.2662079 1.0455099 1.0269861), wk = 0.0023697 k( 117) = ( 0.2662079 1.0455099 1.0269861), wk = 0.0023697 k( 118) = ( 0.2602921 1.0222763 1.0269861), wk = 0.0023697 k( 119) = ( 0.2543764 0.9990428 1.0269861), wk = 0.0023697 k( 120) = ( 0.2484607 0.9758092 1.0269861), wk = 0.0023697 k( 121) = ( 0.2425449 0.9525757 1.0269861), wk = 0.0023697 k( 122) = ( 0.2366292 0.9293421 1.0269861), wk = 0.0023697 k( 123) = ( 0.2307135 0.9061085 1.0269861), wk = 0.0023697 k( 124) = ( 0.2247977 0.8828750 1.0269861), wk = 0.0023697 k( 125) = ( 0.2188820 0.8596414 1.0269861), wk = 0.0023697 k( 126) = ( 0.2129663 0.8364079 1.0269861), wk = 0.0023697 k( 127) = ( 0.2070505 0.8131743 1.0269861), wk = 0.0023697 k( 128) = ( 0.2011348 0.7899408 1.0269861), wk = 0.0023697 k( 129) = ( 0.1952191 0.7667072 1.0269861), wk = 0.0023697 k( 130) = ( 0.1893034 0.7434737 1.0269861), wk = 0.0023697 k( 131) = ( 0.1833876 0.7202401 1.0269861), wk = 0.0023697 k( 132) = ( 0.1774719 0.6970066 1.0269861), wk = 0.0023697 k( 133) = ( 0.1715562 0.6737730 1.0269861), wk = 0.0023697 k( 134) = ( 0.1656404 0.6505395 1.0269861), wk = 0.0023697 k( 135) = ( 0.1597247 0.6273059 1.0269861), wk = 0.0023697 k( 136) = ( 0.1538090 0.6040724 1.0269861), wk = 0.0023697 k( 137) = ( 0.1478933 0.5808388 1.0269861), wk = 0.0023697 k( 138) = ( 0.1419775 0.5576053 1.0269861), wk = 0.0023697 k( 139) = ( 0.1360618 0.5343717 1.0269861), wk = 0.0023697 k( 140) = ( 0.1301461 0.5111382 1.0269861), wk = 0.0023697 k( 141) = ( 0.1242303 0.4879046 1.0269861), wk = 0.0023697 k( 142) = ( 0.1183146 0.4646710 1.0269861), wk = 0.0023697 k( 143) = ( 0.1123989 0.4414375 1.0269861), wk = 0.0023697 k( 144) = ( 0.1064831 0.4182039 1.0269861), wk = 0.0023697 k( 145) = ( 0.1005674 0.3949704 1.0269861), wk = 0.0023697 k( 146) = ( 0.0946517 0.3717368 1.0269861), wk = 0.0023697 k( 147) = ( 0.0887359 0.3485033 1.0269861), wk = 0.0023697 k( 148) = ( 0.0828202 0.3252697 1.0269861), wk = 0.0023697 k( 149) = ( 0.0769045 0.3020362 1.0269861), wk = 0.0023697 k( 150) = ( 0.0709888 0.2788026 1.0269861), wk = 0.0023697 k( 151) = ( 0.0650730 0.2555691 1.0269861), wk = 0.0023697 k( 152) = ( 0.0591573 0.2323355 1.0269861), wk = 0.0023697 k( 153) = ( 0.0532416 0.2091020 1.0269861), wk = 0.0023697 k( 154) = ( 0.0473258 0.1858684 1.0269861), wk = 0.0023697 k( 155) = ( 0.0414101 0.1626349 1.0269861), wk = 0.0023697 k( 156) = ( 0.0354944 0.1394013 1.0269861), wk = 0.0023697 k( 157) = ( 0.0295787 0.1161678 1.0269861), wk = 0.0023697 k( 158) = ( 0.0236629 0.0929342 1.0269861), wk = 0.0023697 k( 159) = ( 0.0177472 0.0697007 1.0269861), wk = 0.0023697 k( 160) = ( 0.0118315 0.0464671 1.0269861), wk = 0.0023697 k( 161) = ( 0.0059157 0.0232336 1.0269861), wk = 0.0023697 k( 162) = ( 0.0000000 0.0000000 1.0269861), wk = 0.0023697 k( 163) = ( 0.0000000 0.0000000 1.0269861), wk = 0.0023697 k( 164) = ( 0.0000000 0.0000000 1.0031027), wk = 0.0023697 k( 165) = ( 0.0000000 0.0000000 0.9792194), wk = 0.0023697 k( 166) = ( 0.0000000 0.0000000 0.9553360), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.9314525), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.9075692), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.8836858), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.8598024), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.8359190), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.8120356), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.7881522), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.7642688), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.7403854), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.7165020), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.6926186), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.6687352), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.6448518), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.6209684), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.5970850), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.5732016), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.5493182), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.5254348), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.5015514), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.4776680), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.4537846), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.4299012), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.4060178), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.3821344), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.3582510), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.3343676), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.3104842), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.2866008), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.2627174), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.2388340), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.2149506), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.1910672), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.1671838), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.1433004), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.1194170), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.0955336), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.0716502), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.0477668), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0238834), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 208) = ( -0.0227273 0.0057868 -0.0000000), wk = 0.0023697 k( 209) = ( -0.0454546 0.0115736 -0.0000000), wk = 0.0023697 k( 210) = ( -0.0681818 0.0173605 -0.0000000), wk = 0.0023697 k( 211) = ( -0.0909091 0.0231473 -0.0000000), wk = 0.0023697 k( 212) = ( -0.1136364 0.0289341 -0.0000000), wk = 0.0023697 k( 213) = ( -0.1363636 0.0347209 -0.0000000), wk = 0.0023697 k( 214) = ( -0.1590909 0.0405077 -0.0000000), wk = 0.0023697 k( 215) = ( -0.1818182 0.0462946 -0.0000000), wk = 0.0023697 k( 216) = ( -0.2045454 0.0520814 -0.0000000), wk = 0.0023697 k( 217) = ( -0.2272727 0.0578682 -0.0000000), wk = 0.0023697 k( 218) = ( -0.2500000 0.0636550 -0.0000000), wk = 0.0023697 k( 219) = ( -0.2727273 0.0694419 -0.0000000), wk = 0.0023697 k( 220) = ( -0.2954545 0.0752287 -0.0000000), wk = 0.0023697 k( 221) = ( -0.3181818 0.0810155 -0.0000000), wk = 0.0023697 k( 222) = ( -0.3409091 0.0868023 -0.0000000), wk = 0.0023697 k( 223) = ( -0.3636364 0.0925891 -0.0000000), wk = 0.0023697 k( 224) = ( -0.3863636 0.0983760 -0.0000000), wk = 0.0023697 k( 225) = ( -0.4090909 0.1041628 -0.0000000), wk = 0.0023697 k( 226) = ( -0.4318182 0.1099496 -0.0000000), wk = 0.0023697 k( 227) = ( -0.4545455 0.1157364 -0.0000000), wk = 0.0023697 k( 228) = ( -0.4772727 0.1215232 -0.0000000), wk = 0.0023697 k( 229) = ( -0.5000000 0.1273101 -0.0000000), wk = 0.0023697 k( 230) = ( -0.5000000 0.1273101 -0.0000000), wk = 0.0023697 k( 231) = ( -0.4941552 0.1502650 -0.0000000), wk = 0.0023697 k( 232) = ( -0.4883104 0.1732201 -0.0000000), wk = 0.0023697 k( 233) = ( -0.4824656 0.1961750 -0.0000000), wk = 0.0023697 k( 234) = ( -0.4766208 0.2191300 -0.0000000), wk = 0.0023697 k( 235) = ( -0.4707760 0.2420850 -0.0000000), wk = 0.0023697 k( 236) = ( -0.4649312 0.2650400 -0.0000000), wk = 0.0023697 k( 237) = ( -0.4590864 0.2879950 -0.0000000), wk = 0.0023697 k( 238) = ( -0.4532416 0.3109500 -0.0000000), wk = 0.0023697 k( 239) = ( -0.4473968 0.3339050 -0.0000000), wk = 0.0023697 k( 240) = ( -0.4415520 0.3568600 -0.0000000), wk = 0.0023697 k( 241) = ( -0.4357072 0.3798150 -0.0000000), wk = 0.0023697 k( 242) = ( -0.4298624 0.4027700 -0.0000000), wk = 0.0023697 k( 243) = ( -0.4240176 0.4257250 -0.0000000), wk = 0.0023697 k( 244) = ( -0.4181727 0.4486800 -0.0000000), wk = 0.0023697 k( 245) = ( -0.4123279 0.4716350 -0.0000000), wk = 0.0023697 k( 246) = ( -0.4064831 0.4945900 -0.0000000), wk = 0.0023697 k( 247) = ( -0.4006383 0.5175450 -0.0000000), wk = 0.0023697 k( 248) = ( -0.3947935 0.5405000 -0.0000000), wk = 0.0023697 k( 249) = ( -0.3889487 0.5634550 -0.0000000), wk = 0.0023697 k( 250) = ( -0.3831039 0.5864099 -0.0000000), wk = 0.0023697 k( 251) = ( -0.3772591 0.6093650 -0.0000000), wk = 0.0023697 k( 252) = ( -0.3714143 0.6323199 -0.0000000), wk = 0.0023697 k( 253) = ( -0.3655695 0.6552750 -0.0000000), wk = 0.0023697 k( 254) = ( -0.3597247 0.6782300 -0.0000000), wk = 0.0023697 k( 255) = ( -0.3538799 0.7011849 -0.0000000), wk = 0.0023697 k( 256) = ( -0.3480351 0.7241400 -0.0000000), wk = 0.0023697 k( 257) = ( -0.3421903 0.7470949 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3363455 0.7700499 -0.0000000), wk = 0.0023697 k( 259) = ( -0.3305007 0.7930049 -0.0000000), wk = 0.0023697 k( 260) = ( -0.3246559 0.8159599 -0.0000000), wk = 0.0023697 k( 261) = ( -0.3188111 0.8389149 -0.0000000), wk = 0.0023697 k( 262) = ( -0.3129663 0.8618699 -0.0000000), wk = 0.0023697 k( 263) = ( -0.3071215 0.8848249 -0.0000000), wk = 0.0023697 k( 264) = ( -0.3012767 0.9077799 -0.0000000), wk = 0.0023697 k( 265) = ( -0.2954319 0.9307349 -0.0000000), wk = 0.0023697 k( 266) = ( -0.2895871 0.9536899 -0.0000000), wk = 0.0023697 k( 267) = ( -0.2837423 0.9766449 -0.0000000), wk = 0.0023697 k( 268) = ( -0.2778975 0.9995999 -0.0000000), wk = 0.0023697 k( 269) = ( -0.2720527 1.0225549 -0.0000000), wk = 0.0023697 k( 270) = ( -0.2662079 1.0455099 -0.0000000), wk = 0.0023697 k( 271) = ( -0.2662079 1.0455099 -0.0000000), wk = 0.0023697 k( 272) = ( -0.2662079 1.0455099 0.0238834), wk = 0.0023697 k( 273) = ( -0.2662079 1.0455099 0.0477668), wk = 0.0023697 k( 274) = ( -0.2662079 1.0455099 0.0716502), wk = 0.0023697 k( 275) = ( -0.2662079 1.0455099 0.0955336), wk = 0.0023697 k( 276) = ( -0.2662079 1.0455099 0.1194170), wk = 0.0023697 k( 277) = ( -0.2662079 1.0455099 0.1433004), wk = 0.0023697 k( 278) = ( -0.2662079 1.0455099 0.1671838), wk = 0.0023697 k( 279) = ( -0.2662079 1.0455099 0.1910672), wk = 0.0023697 k( 280) = ( -0.2662079 1.0455099 0.2149506), wk = 0.0023697 k( 281) = ( -0.2662079 1.0455099 0.2388340), wk = 0.0023697 k( 282) = ( -0.2662079 1.0455099 0.2627174), wk = 0.0023697 k( 283) = ( -0.2662079 1.0455099 0.2866008), wk = 0.0023697 k( 284) = ( -0.2662079 1.0455099 0.3104842), wk = 0.0023697 k( 285) = ( -0.2662079 1.0455099 0.3343676), wk = 0.0023697 k( 286) = ( -0.2662079 1.0455099 0.3582510), wk = 0.0023697 k( 287) = ( -0.2662079 1.0455099 0.3821344), wk = 0.0023697 k( 288) = ( -0.2662079 1.0455099 0.4060178), wk = 0.0023697 k( 289) = ( -0.2662079 1.0455099 0.4299012), wk = 0.0023697 k( 290) = ( -0.2662079 1.0455099 0.4537846), wk = 0.0023697 k( 291) = ( -0.2662079 1.0455099 0.4776680), wk = 0.0023697 k( 292) = ( -0.2662079 1.0455099 0.5015514), wk = 0.0023697 k( 293) = ( -0.2662079 1.0455099 0.5254348), wk = 0.0023697 k( 294) = ( -0.2662079 1.0455099 0.5493182), wk = 0.0023697 k( 295) = ( -0.2662079 1.0455099 0.5732016), wk = 0.0023697 k( 296) = ( -0.2662079 1.0455099 0.5970850), wk = 0.0023697 k( 297) = ( -0.2662079 1.0455099 0.6209684), wk = 0.0023697 k( 298) = ( -0.2662079 1.0455099 0.6448518), wk = 0.0023697 k( 299) = ( -0.2662079 1.0455099 0.6687352), wk = 0.0023697 k( 300) = ( -0.2662079 1.0455099 0.6926186), wk = 0.0023697 k( 301) = ( -0.2662079 1.0455099 0.7165020), wk = 0.0023697 k( 302) = ( -0.2662079 1.0455099 0.7403854), wk = 0.0023697 k( 303) = ( -0.2662079 1.0455099 0.7642688), wk = 0.0023697 k( 304) = ( -0.2662079 1.0455099 0.7881522), wk = 0.0023697 k( 305) = ( -0.2662079 1.0455099 0.8120356), wk = 0.0023697 k( 306) = ( -0.2662079 1.0455099 0.8359190), wk = 0.0023697 k( 307) = ( -0.2662079 1.0455099 0.8598024), wk = 0.0023697 k( 308) = ( -0.2662079 1.0455099 0.8836858), wk = 0.0023697 k( 309) = ( -0.2662079 1.0455099 0.9075692), wk = 0.0023697 k( 310) = ( -0.2662079 1.0455099 0.9314525), wk = 0.0023697 k( 311) = ( -0.2662079 1.0455099 0.9553360), wk = 0.0023697 k( 312) = ( -0.2662079 1.0455099 0.9792194), wk = 0.0023697 k( 313) = ( -0.2662079 1.0455099 1.0031027), wk = 0.0023697 k( 314) = ( -0.2662079 1.0455099 1.0269861), wk = 0.0023697 k( 315) = ( -0.2662079 1.0455099 1.0269861), wk = 0.0023697 k( 316) = ( -0.2720527 1.0225549 1.0269861), wk = 0.0023697 k( 317) = ( -0.2778975 0.9995999 1.0269861), wk = 0.0023697 k( 318) = ( -0.2837423 0.9766449 1.0269861), wk = 0.0023697 k( 319) = ( -0.2895871 0.9536899 1.0269861), wk = 0.0023697 k( 320) = ( -0.2954319 0.9307349 1.0269861), wk = 0.0023697 k( 321) = ( -0.3012767 0.9077799 1.0269861), wk = 0.0023697 k( 322) = ( -0.3071215 0.8848249 1.0269861), wk = 0.0023697 k( 323) = ( -0.3129663 0.8618699 1.0269861), wk = 0.0023697 k( 324) = ( -0.3188111 0.8389149 1.0269861), wk = 0.0023697 k( 325) = ( -0.3246559 0.8159599 1.0269861), wk = 0.0023697 k( 326) = ( -0.3305007 0.7930049 1.0269861), wk = 0.0023697 k( 327) = ( -0.3363455 0.7700499 1.0269861), wk = 0.0023697 k( 328) = ( -0.3421903 0.7470949 1.0269861), wk = 0.0023697 k( 329) = ( -0.3480351 0.7241400 1.0269861), wk = 0.0023697 k( 330) = ( -0.3538799 0.7011849 1.0269861), wk = 0.0023697 k( 331) = ( -0.3597247 0.6782300 1.0269861), wk = 0.0023697 k( 332) = ( -0.3655695 0.6552750 1.0269861), wk = 0.0023697 k( 333) = ( -0.3714143 0.6323199 1.0269861), wk = 0.0023697 k( 334) = ( -0.3772591 0.6093650 1.0269861), wk = 0.0023697 k( 335) = ( -0.3831039 0.5864099 1.0269861), wk = 0.0023697 k( 336) = ( -0.3889487 0.5634550 1.0269861), wk = 0.0023697 k( 337) = ( -0.3947935 0.5405000 1.0269861), wk = 0.0023697 k( 338) = ( -0.4006383 0.5175450 1.0269861), wk = 0.0023697 k( 339) = ( -0.4064831 0.4945900 1.0269861), wk = 0.0023697 k( 340) = ( -0.4123279 0.4716350 1.0269861), wk = 0.0023697 k( 341) = ( -0.4181727 0.4486800 1.0269861), wk = 0.0023697 k( 342) = ( -0.4240176 0.4257250 1.0269861), wk = 0.0023697 k( 343) = ( -0.4298624 0.4027700 1.0269861), wk = 0.0023697 k( 344) = ( -0.4357072 0.3798150 1.0269861), wk = 0.0023697 k( 345) = ( -0.4415520 0.3568600 1.0269861), wk = 0.0023697 k( 346) = ( -0.4473968 0.3339050 1.0269861), wk = 0.0023697 k( 347) = ( -0.4532416 0.3109500 1.0269861), wk = 0.0023697 k( 348) = ( -0.4590864 0.2879950 1.0269861), wk = 0.0023697 k( 349) = ( -0.4649312 0.2650400 1.0269861), wk = 0.0023697 k( 350) = ( -0.4707760 0.2420850 1.0269861), wk = 0.0023697 k( 351) = ( -0.4766208 0.2191300 1.0269861), wk = 0.0023697 k( 352) = ( -0.4824656 0.1961750 1.0269861), wk = 0.0023697 k( 353) = ( -0.4883104 0.1732201 1.0269861), wk = 0.0023697 k( 354) = ( -0.4941552 0.1502650 1.0269861), wk = 0.0023697 k( 355) = ( -0.5000000 0.1273101 1.0269861), wk = 0.0023697 k( 356) = ( -0.5000000 0.1273101 1.0269861), wk = 0.0023697 k( 357) = ( -0.5000000 0.1273101 1.0031027), wk = 0.0023697 k( 358) = ( -0.5000000 0.1273101 0.9792194), wk = 0.0023697 k( 359) = ( -0.5000000 0.1273101 0.9553360), wk = 0.0023697 k( 360) = ( -0.5000000 0.1273101 0.9314525), wk = 0.0023697 k( 361) = ( -0.5000000 0.1273101 0.9075692), wk = 0.0023697 k( 362) = ( -0.5000000 0.1273101 0.8836858), wk = 0.0023697 k( 363) = ( -0.5000000 0.1273101 0.8598024), wk = 0.0023697 k( 364) = ( -0.5000000 0.1273101 0.8359190), wk = 0.0023697 k( 365) = ( -0.5000000 0.1273101 0.8120356), wk = 0.0023697 k( 366) = ( -0.5000000 0.1273101 0.7881522), wk = 0.0023697 k( 367) = ( -0.5000000 0.1273101 0.7642688), wk = 0.0023697 k( 368) = ( -0.5000000 0.1273101 0.7403854), wk = 0.0023697 k( 369) = ( -0.5000000 0.1273101 0.7165020), wk = 0.0023697 k( 370) = ( -0.5000000 0.1273101 0.6926186), wk = 0.0023697 k( 371) = ( -0.5000000 0.1273101 0.6687352), wk = 0.0023697 k( 372) = ( -0.5000000 0.1273101 0.6448518), wk = 0.0023697 k( 373) = ( -0.5000000 0.1273101 0.6209684), wk = 0.0023697 k( 374) = ( -0.5000000 0.1273101 0.5970850), wk = 0.0023697 k( 375) = ( -0.5000000 0.1273101 0.5732016), wk = 0.0023697 k( 376) = ( -0.5000000 0.1273101 0.5493182), wk = 0.0023697 k( 377) = ( -0.5000000 0.1273101 0.5254348), wk = 0.0023697 k( 378) = ( -0.5000000 0.1273101 0.5015514), wk = 0.0023697 k( 379) = ( -0.5000000 0.1273101 0.4776680), wk = 0.0023697 k( 380) = ( -0.5000000 0.1273101 0.4537846), wk = 0.0023697 k( 381) = ( -0.5000000 0.1273101 0.4299012), wk = 0.0023697 k( 382) = ( -0.5000000 0.1273101 0.4060178), wk = 0.0023697 k( 383) = ( -0.5000000 0.1273101 0.3821344), wk = 0.0023697 k( 384) = ( -0.5000000 0.1273101 0.3582510), wk = 0.0023697 k( 385) = ( -0.5000000 0.1273101 0.3343676), wk = 0.0023697 k( 386) = ( -0.5000000 0.1273101 0.3104842), wk = 0.0023697 k( 387) = ( -0.5000000 0.1273101 0.2866008), wk = 0.0023697 k( 388) = ( -0.5000000 0.1273101 0.2627174), wk = 0.0023697 k( 389) = ( -0.5000000 0.1273101 0.2388340), wk = 0.0023697 k( 390) = ( -0.5000000 0.1273101 0.2149506), wk = 0.0023697 k( 391) = ( -0.5000000 0.1273101 0.1910672), wk = 0.0023697 k( 392) = ( -0.5000000 0.1273101 0.1671838), wk = 0.0023697 k( 393) = ( -0.5000000 0.1273101 0.1433004), wk = 0.0023697 k( 394) = ( -0.5000000 0.1273101 0.1194170), wk = 0.0023697 k( 395) = ( -0.5000000 0.1273101 0.0955336), wk = 0.0023697 k( 396) = ( -0.5000000 0.1273101 0.0716502), wk = 0.0023697 k( 397) = ( -0.5000000 0.1273101 0.0477668), wk = 0.0023697 k( 398) = ( -0.5000000 0.1273101 0.0238834), wk = 0.0023697 k( 399) = ( -0.5000000 0.1273101 -0.0000000), wk = 0.0023697 k( 400) = ( 0.0000000 0.0000000 1.0269861), wk = 0.0023697 k( 401) = ( -0.0227273 0.0057868 1.0269861), wk = 0.0023697 k( 402) = ( -0.0454546 0.0115736 1.0269861), wk = 0.0023697 k( 403) = ( -0.0681818 0.0173605 1.0269861), wk = 0.0023697 k( 404) = ( -0.0909091 0.0231473 1.0269861), wk = 0.0023697 k( 405) = ( -0.1136364 0.0289341 1.0269861), wk = 0.0023697 k( 406) = ( -0.1363636 0.0347209 1.0269861), wk = 0.0023697 k( 407) = ( -0.1590909 0.0405077 1.0269861), wk = 0.0023697 k( 408) = ( -0.1818182 0.0462946 1.0269861), wk = 0.0023697 k( 409) = ( -0.2045454 0.0520814 1.0269861), wk = 0.0023697 k( 410) = ( -0.2272727 0.0578682 1.0269861), wk = 0.0023697 k( 411) = ( -0.2500000 0.0636550 1.0269861), wk = 0.0023697 k( 412) = ( -0.2727273 0.0694419 1.0269861), wk = 0.0023697 k( 413) = ( -0.2954545 0.0752287 1.0269861), wk = 0.0023697 k( 414) = ( -0.3181818 0.0810155 1.0269861), wk = 0.0023697 k( 415) = ( -0.3409091 0.0868023 1.0269861), wk = 0.0023697 k( 416) = ( -0.3636364 0.0925891 1.0269861), wk = 0.0023697 k( 417) = ( -0.3863636 0.0983760 1.0269861), wk = 0.0023697 k( 418) = ( -0.4090909 0.1041628 1.0269861), wk = 0.0023697 k( 419) = ( -0.4318182 0.1099496 1.0269861), wk = 0.0023697 k( 420) = ( -0.4545455 0.1157364 1.0269861), wk = 0.0023697 k( 421) = ( -0.4772727 0.1215232 1.0269861), wk = 0.0023697 k( 422) = ( -0.5000000 0.1273101 1.0269861), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0059157 0.0059157 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0118315 0.0118315 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0177472 0.0177472 0.0000000), wk = 0.0023697 k( 5) = ( 0.0236629 0.0236629 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0295787 0.0295786 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0354944 0.0354944 0.0000000), wk = 0.0023697 k( 8) = ( 0.0414101 0.0414101 0.0000000), wk = 0.0023697 k( 9) = ( 0.0473258 0.0473258 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0532416 0.0532416 0.0000000), wk = 0.0023697 k( 11) = ( 0.0591573 0.0591573 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0650730 0.0650730 0.0000000), wk = 0.0023697 k( 13) = ( 0.0709888 0.0709888 0.0000000), wk = 0.0023697 k( 14) = ( 0.0769045 0.0769045 0.0000000), wk = 0.0023697 k( 15) = ( 0.0828202 0.0828202 0.0000000), wk = 0.0023697 k( 16) = ( 0.0887359 0.0887359 0.0000000), wk = 0.0023697 k( 17) = ( 0.0946517 0.0946517 -0.0000000), wk = 0.0023697 k( 18) = ( 0.1005674 0.1005674 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1064831 0.1064831 0.0000000), wk = 0.0023697 k( 20) = ( 0.1123989 0.1123989 0.0000000), wk = 0.0023697 k( 21) = ( 0.1183146 0.1183146 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1242303 0.1242303 0.0000000), wk = 0.0023697 k( 23) = ( 0.1301461 0.1301461 0.0000000), wk = 0.0023697 k( 24) = ( 0.1360618 0.1360618 0.0000000), wk = 0.0023697 k( 25) = ( 0.1419775 0.1419775 0.0000000), wk = 0.0023697 k( 26) = ( 0.1478933 0.1478933 0.0000000), wk = 0.0023697 k( 27) = ( 0.1538090 0.1538090 0.0000000), wk = 0.0023697 k( 28) = ( 0.1597247 0.1597247 0.0000000), wk = 0.0023697 k( 29) = ( 0.1656404 0.1656404 0.0000000), wk = 0.0023697 k( 30) = ( 0.1715562 0.1715562 -0.0000000), wk = 0.0023697 k( 31) = ( 0.1774719 0.1774719 0.0000000), wk = 0.0023697 k( 32) = ( 0.1833876 0.1833876 0.0000000), wk = 0.0023697 k( 33) = ( 0.1893034 0.1893034 -0.0000000), wk = 0.0023697 k( 34) = ( 0.1952191 0.1952191 0.0000000), wk = 0.0023697 k( 35) = ( 0.2011348 0.2011348 -0.0000000), wk = 0.0023697 k( 36) = ( 0.2070505 0.2070505 0.0000000), wk = 0.0023697 k( 37) = ( 0.2129663 0.2129663 0.0000000), wk = 0.0023697 k( 38) = ( 0.2188820 0.2188820 0.0000000), wk = 0.0023697 k( 39) = ( 0.2247977 0.2247977 0.0000000), wk = 0.0023697 k( 40) = ( 0.2307135 0.2307135 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2366292 0.2366292 -0.0000000), wk = 0.0023697 k( 42) = ( 0.2425449 0.2425449 0.0000000), wk = 0.0023697 k( 43) = ( 0.2484607 0.2484607 0.0000000), wk = 0.0023697 k( 44) = ( 0.2543764 0.2543764 0.0000000), wk = 0.0023697 k( 45) = ( 0.2602921 0.2602921 0.0000000), wk = 0.0023697 k( 46) = ( 0.2662079 0.2662079 0.0000000), wk = 0.0023697 k( 47) = ( 0.2662079 0.2662079 0.0000000), wk = 0.0023697 k( 48) = ( 0.2440239 0.2856905 0.0000000), wk = 0.0023697 k( 49) = ( 0.2218399 0.3051732 0.0000000), wk = 0.0023697 k( 50) = ( 0.1996559 0.3246559 0.0000000), wk = 0.0023697 k( 51) = ( 0.1774719 0.3441386 -0.0000000), wk = 0.0023697 k( 52) = ( 0.1552879 0.3636212 0.0000000), wk = 0.0023697 k( 53) = ( 0.1331039 0.3831039 0.0000000), wk = 0.0023697 k( 54) = ( 0.1109199 0.4025866 -0.0000000), wk = 0.0023697 k( 55) = ( 0.0887359 0.4220693 0.0000000), wk = 0.0023697 k( 56) = ( 0.0665520 0.4415520 -0.0000000), wk = 0.0023697 k( 57) = ( 0.0443680 0.4610346 0.0000000), wk = 0.0023697 k( 58) = ( 0.0221840 0.4805173 -0.0000000), wk = 0.0023697 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023697 k( 61) = ( 0.0000000 0.5000000 0.0116279), wk = 0.0023697 k( 62) = ( 0.0000000 0.5000000 0.0232558), wk = 0.0023697 k( 63) = ( 0.0000000 0.5000000 0.0348837), wk = 0.0023697 k( 64) = ( 0.0000000 0.5000000 0.0465116), wk = 0.0023697 k( 65) = ( 0.0000000 0.5000000 0.0581395), wk = 0.0023697 k( 66) = ( 0.0000000 0.5000000 0.0697674), wk = 0.0023697 k( 67) = ( 0.0000000 0.5000000 0.0813954), wk = 0.0023697 k( 68) = ( 0.0000000 0.5000000 0.0930233), wk = 0.0023697 k( 69) = ( 0.0000000 0.5000000 0.1046512), wk = 0.0023697 k( 70) = ( 0.0000000 0.5000000 0.1162791), wk = 0.0023697 k( 71) = ( 0.0000000 0.5000000 0.1279070), wk = 0.0023697 k( 72) = ( 0.0000000 0.5000000 0.1395349), wk = 0.0023697 k( 73) = ( 0.0000000 0.5000000 0.1511628), wk = 0.0023697 k( 74) = ( 0.0000000 0.5000000 0.1627907), wk = 0.0023697 k( 75) = ( 0.0000000 0.5000000 0.1744186), wk = 0.0023697 k( 76) = ( 0.0000000 0.5000000 0.1860465), wk = 0.0023697 k( 77) = ( 0.0000000 0.5000000 0.1976744), wk = 0.0023697 k( 78) = ( 0.0000000 0.5000000 0.2093023), wk = 0.0023697 k( 79) = ( 0.0000000 0.5000000 0.2209302), wk = 0.0023697 k( 80) = ( 0.0000000 0.5000000 0.2325581), wk = 0.0023697 k( 81) = ( 0.0000000 0.5000000 0.2441860), wk = 0.0023697 k( 82) = ( 0.0000000 0.5000000 0.2558139), wk = 0.0023697 k( 83) = ( 0.0000000 0.5000000 0.2674419), wk = 0.0023697 k( 84) = ( 0.0000000 0.5000000 0.2790698), wk = 0.0023697 k( 85) = ( 0.0000000 0.5000000 0.2906977), wk = 0.0023697 k( 86) = ( 0.0000000 0.5000000 0.3023256), wk = 0.0023697 k( 87) = ( 0.0000000 0.5000000 0.3139535), wk = 0.0023697 k( 88) = ( 0.0000000 0.5000000 0.3255814), wk = 0.0023697 k( 89) = ( 0.0000000 0.5000000 0.3372093), wk = 0.0023697 k( 90) = ( 0.0000000 0.5000000 0.3488372), wk = 0.0023697 k( 91) = ( 0.0000000 0.5000000 0.3604651), wk = 0.0023697 k( 92) = ( 0.0000000 0.5000000 0.3720930), wk = 0.0023697 k( 93) = ( 0.0000000 0.5000000 0.3837209), wk = 0.0023697 k( 94) = ( 0.0000000 0.5000000 0.3953488), wk = 0.0023697 k( 95) = ( 0.0000000 0.5000000 0.4069767), wk = 0.0023697 k( 96) = ( 0.0000000 0.5000000 0.4186046), wk = 0.0023697 k( 97) = ( 0.0000000 0.5000000 0.4302326), wk = 0.0023697 k( 98) = ( 0.0000000 0.5000000 0.4418605), wk = 0.0023697 k( 99) = ( 0.0000000 0.5000000 0.4534884), wk = 0.0023697 k( 100) = ( 0.0000000 0.5000000 0.4651163), wk = 0.0023697 k( 101) = ( 0.0000000 0.5000000 0.4767442), wk = 0.0023697 k( 102) = ( 0.0000000 0.5000000 0.4883721), wk = 0.0023697 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 105) = ( 0.0221840 0.4805173 0.5000000), wk = 0.0023697 k( 106) = ( 0.0443680 0.4610346 0.5000000), wk = 0.0023697 k( 107) = ( 0.0665520 0.4415520 0.5000000), wk = 0.0023697 k( 108) = ( 0.0887359 0.4220693 0.5000000), wk = 0.0023697 k( 109) = ( 0.1109199 0.4025866 0.5000000), wk = 0.0023697 k( 110) = ( 0.1331039 0.3831039 0.5000000), wk = 0.0023697 k( 111) = ( 0.1552879 0.3636212 0.5000000), wk = 0.0023697 k( 112) = ( 0.1774719 0.3441386 0.5000000), wk = 0.0023697 k( 113) = ( 0.1996559 0.3246559 0.5000000), wk = 0.0023697 k( 114) = ( 0.2218399 0.3051732 0.5000000), wk = 0.0023697 k( 115) = ( 0.2440239 0.2856905 0.5000000), wk = 0.0023697 k( 116) = ( 0.2662079 0.2662079 0.5000000), wk = 0.0023697 k( 117) = ( 0.2662079 0.2662079 0.5000000), wk = 0.0023697 k( 118) = ( 0.2602921 0.2602921 0.5000000), wk = 0.0023697 k( 119) = ( 0.2543764 0.2543764 0.5000000), wk = 0.0023697 k( 120) = ( 0.2484607 0.2484607 0.5000000), wk = 0.0023697 k( 121) = ( 0.2425449 0.2425449 0.5000000), wk = 0.0023697 k( 122) = ( 0.2366292 0.2366292 0.5000000), wk = 0.0023697 k( 123) = ( 0.2307135 0.2307135 0.5000000), wk = 0.0023697 k( 124) = ( 0.2247977 0.2247977 0.5000000), wk = 0.0023697 k( 125) = ( 0.2188820 0.2188820 0.5000000), wk = 0.0023697 k( 126) = ( 0.2129663 0.2129663 0.5000000), wk = 0.0023697 k( 127) = ( 0.2070505 0.2070505 0.5000000), wk = 0.0023697 k( 128) = ( 0.2011348 0.2011348 0.5000000), wk = 0.0023697 k( 129) = ( 0.1952191 0.1952191 0.5000000), wk = 0.0023697 k( 130) = ( 0.1893034 0.1893034 0.5000000), wk = 0.0023697 k( 131) = ( 0.1833876 0.1833876 0.5000000), wk = 0.0023697 k( 132) = ( 0.1774719 0.1774719 0.5000000), wk = 0.0023697 k( 133) = ( 0.1715562 0.1715562 0.5000000), wk = 0.0023697 k( 134) = ( 0.1656404 0.1656404 0.5000000), wk = 0.0023697 k( 135) = ( 0.1597247 0.1597247 0.5000000), wk = 0.0023697 k( 136) = ( 0.1538090 0.1538090 0.5000000), wk = 0.0023697 k( 137) = ( 0.1478933 0.1478933 0.5000000), wk = 0.0023697 k( 138) = ( 0.1419775 0.1419775 0.5000000), wk = 0.0023697 k( 139) = ( 0.1360618 0.1360618 0.5000000), wk = 0.0023697 k( 140) = ( 0.1301461 0.1301461 0.5000000), wk = 0.0023697 k( 141) = ( 0.1242303 0.1242303 0.5000000), wk = 0.0023697 k( 142) = ( 0.1183146 0.1183146 0.5000000), wk = 0.0023697 k( 143) = ( 0.1123989 0.1123989 0.5000000), wk = 0.0023697 k( 144) = ( 0.1064831 0.1064831 0.5000000), wk = 0.0023697 k( 145) = ( 0.1005674 0.1005674 0.5000000), wk = 0.0023697 k( 146) = ( 0.0946517 0.0946517 0.5000000), wk = 0.0023697 k( 147) = ( 0.0887359 0.0887359 0.5000000), wk = 0.0023697 k( 148) = ( 0.0828202 0.0828202 0.5000000), wk = 0.0023697 k( 149) = ( 0.0769045 0.0769045 0.5000000), wk = 0.0023697 k( 150) = ( 0.0709888 0.0709888 0.5000000), wk = 0.0023697 k( 151) = ( 0.0650730 0.0650730 0.5000000), wk = 0.0023697 k( 152) = ( 0.0591573 0.0591573 0.5000000), wk = 0.0023697 k( 153) = ( 0.0532416 0.0532416 0.5000000), wk = 0.0023697 k( 154) = ( 0.0473258 0.0473258 0.5000000), wk = 0.0023697 k( 155) = ( 0.0414101 0.0414101 0.5000000), wk = 0.0023697 k( 156) = ( 0.0354944 0.0354944 0.5000000), wk = 0.0023697 k( 157) = ( 0.0295787 0.0295786 0.5000000), wk = 0.0023697 k( 158) = ( 0.0236629 0.0236629 0.5000000), wk = 0.0023697 k( 159) = ( 0.0177472 0.0177472 0.5000000), wk = 0.0023697 k( 160) = ( 0.0118315 0.0118315 0.5000000), wk = 0.0023697 k( 161) = ( 0.0059157 0.0059157 0.5000000), wk = 0.0023697 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 164) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0023697 k( 165) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0023697 k( 166) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0023697 k( 167) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0023697 k( 168) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0023697 k( 169) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0023697 k( 170) = ( 0.0000000 0.0000000 0.4186046), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.2558139), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.0813953), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 208) = ( -0.0227273 0.0227273 0.0000000), wk = 0.0023697 k( 209) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0023697 k( 210) = ( -0.0681818 0.0681818 0.0000000), wk = 0.0023697 k( 211) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0023697 k( 212) = ( -0.1136364 0.1136364 0.0000000), wk = 0.0023697 k( 213) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0023697 k( 214) = ( -0.1590909 0.1590909 0.0000000), wk = 0.0023697 k( 215) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0023697 k( 216) = ( -0.2045454 0.2045455 0.0000000), wk = 0.0023697 k( 217) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0023697 k( 218) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0023697 k( 219) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0023697 k( 220) = ( -0.2954545 0.2954546 -0.0000000), wk = 0.0023697 k( 221) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0023697 k( 222) = ( -0.3409091 0.3409091 -0.0000000), wk = 0.0023697 k( 223) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0023697 k( 224) = ( -0.3863636 0.3863636 -0.0000000), wk = 0.0023697 k( 225) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0023697 k( 226) = ( -0.4318182 0.4318182 -0.0000000), wk = 0.0023697 k( 227) = ( -0.4545455 0.4545455 -0.0000000), wk = 0.0023697 k( 228) = ( -0.4772727 0.4772727 0.0000000), wk = 0.0023697 k( 229) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 230) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 231) = ( -0.4941552 0.5058448 0.0000000), wk = 0.0023697 k( 232) = ( -0.4883104 0.5116896 -0.0000000), wk = 0.0023697 k( 233) = ( -0.4824656 0.5175344 -0.0000000), wk = 0.0023697 k( 234) = ( -0.4766208 0.5233792 -0.0000000), wk = 0.0023697 k( 235) = ( -0.4707760 0.5292240 -0.0000000), wk = 0.0023697 k( 236) = ( -0.4649312 0.5350688 0.0000000), wk = 0.0023697 k( 237) = ( -0.4590864 0.5409136 0.0000000), wk = 0.0023697 k( 238) = ( -0.4532416 0.5467584 -0.0000000), wk = 0.0023697 k( 239) = ( -0.4473968 0.5526032 -0.0000000), wk = 0.0023697 k( 240) = ( -0.4415520 0.5584480 0.0000000), wk = 0.0023697 k( 241) = ( -0.4357072 0.5642928 0.0000000), wk = 0.0023697 k( 242) = ( -0.4298624 0.5701376 -0.0000000), wk = 0.0023697 k( 243) = ( -0.4240176 0.5759825 -0.0000000), wk = 0.0023697 k( 244) = ( -0.4181727 0.5818273 0.0000000), wk = 0.0023697 k( 245) = ( -0.4123279 0.5876721 -0.0000000), wk = 0.0023697 k( 246) = ( -0.4064831 0.5935169 -0.0000000), wk = 0.0023697 k( 247) = ( -0.4006383 0.5993617 0.0000000), wk = 0.0023697 k( 248) = ( -0.3947935 0.6052065 0.0000000), wk = 0.0023697 k( 249) = ( -0.3889487 0.6110513 -0.0000000), wk = 0.0023697 k( 250) = ( -0.3831039 0.6168961 -0.0000000), wk = 0.0023697 k( 251) = ( -0.3772591 0.6227409 0.0000000), wk = 0.0023697 k( 252) = ( -0.3714143 0.6285857 0.0000000), wk = 0.0023697 k( 253) = ( -0.3655695 0.6344305 0.0000000), wk = 0.0023697 k( 254) = ( -0.3597247 0.6402753 -0.0000000), wk = 0.0023697 k( 255) = ( -0.3538799 0.6461201 0.0000000), wk = 0.0023697 k( 256) = ( -0.3480351 0.6519649 -0.0000000), wk = 0.0023697 k( 257) = ( -0.3421903 0.6578097 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3363455 0.6636545 -0.0000000), wk = 0.0023697 k( 259) = ( -0.3305007 0.6694993 0.0000000), wk = 0.0023697 k( 260) = ( -0.3246559 0.6753441 0.0000000), wk = 0.0023697 k( 261) = ( -0.3188111 0.6811889 -0.0000000), wk = 0.0023697 k( 262) = ( -0.3129663 0.6870337 -0.0000000), wk = 0.0023697 k( 263) = ( -0.3071215 0.6928785 0.0000000), wk = 0.0023697 k( 264) = ( -0.3012767 0.6987233 0.0000000), wk = 0.0023697 k( 265) = ( -0.2954319 0.7045681 0.0000000), wk = 0.0023697 k( 266) = ( -0.2895871 0.7104129 0.0000000), wk = 0.0023697 k( 267) = ( -0.2837423 0.7162577 0.0000000), wk = 0.0023697 k( 268) = ( -0.2778975 0.7221025 -0.0000000), wk = 0.0023697 k( 269) = ( -0.2720527 0.7279473 -0.0000000), wk = 0.0023697 k( 270) = ( -0.2662079 0.7337922 0.0000000), wk = 0.0023697 k( 271) = ( -0.2662079 0.7337922 0.0000000), wk = 0.0023697 k( 272) = ( -0.2662079 0.7337922 0.0116279), wk = 0.0023697 k( 273) = ( -0.2662079 0.7337922 0.0232558), wk = 0.0023697 k( 274) = ( -0.2662079 0.7337922 0.0348837), wk = 0.0023697 k( 275) = ( -0.2662079 0.7337922 0.0465116), wk = 0.0023697 k( 276) = ( -0.2662079 0.7337922 0.0581395), wk = 0.0023697 k( 277) = ( -0.2662079 0.7337922 0.0697674), wk = 0.0023697 k( 278) = ( -0.2662079 0.7337922 0.0813954), wk = 0.0023697 k( 279) = ( -0.2662079 0.7337922 0.0930233), wk = 0.0023697 k( 280) = ( -0.2662079 0.7337922 0.1046512), wk = 0.0023697 k( 281) = ( -0.2662079 0.7337922 0.1162791), wk = 0.0023697 k( 282) = ( -0.2662079 0.7337922 0.1279070), wk = 0.0023697 k( 283) = ( -0.2662079 0.7337922 0.1395349), wk = 0.0023697 k( 284) = ( -0.2662079 0.7337922 0.1511628), wk = 0.0023697 k( 285) = ( -0.2662079 0.7337922 0.1627907), wk = 0.0023697 k( 286) = ( -0.2662079 0.7337922 0.1744186), wk = 0.0023697 k( 287) = ( -0.2662079 0.7337922 0.1860465), wk = 0.0023697 k( 288) = ( -0.2662079 0.7337922 0.1976744), wk = 0.0023697 k( 289) = ( -0.2662079 0.7337922 0.2093023), wk = 0.0023697 k( 290) = ( -0.2662079 0.7337922 0.2209302), wk = 0.0023697 k( 291) = ( -0.2662079 0.7337922 0.2325581), wk = 0.0023697 k( 292) = ( -0.2662079 0.7337922 0.2441860), wk = 0.0023697 k( 293) = ( -0.2662079 0.7337922 0.2558140), wk = 0.0023697 k( 294) = ( -0.2662079 0.7337922 0.2674419), wk = 0.0023697 k( 295) = ( -0.2662079 0.7337922 0.2790698), wk = 0.0023697 k( 296) = ( -0.2662079 0.7337922 0.2906977), wk = 0.0023697 k( 297) = ( -0.2662079 0.7337922 0.3023256), wk = 0.0023697 k( 298) = ( -0.2662079 0.7337922 0.3139535), wk = 0.0023697 k( 299) = ( -0.2662079 0.7337922 0.3255814), wk = 0.0023697 k( 300) = ( -0.2662079 0.7337922 0.3372093), wk = 0.0023697 k( 301) = ( -0.2662079 0.7337922 0.3488372), wk = 0.0023697 k( 302) = ( -0.2662079 0.7337922 0.3604651), wk = 0.0023697 k( 303) = ( -0.2662079 0.7337922 0.3720930), wk = 0.0023697 k( 304) = ( -0.2662079 0.7337922 0.3837209), wk = 0.0023697 k( 305) = ( -0.2662079 0.7337922 0.3953488), wk = 0.0023697 k( 306) = ( -0.2662079 0.7337922 0.4069767), wk = 0.0023697 k( 307) = ( -0.2662079 0.7337922 0.4186046), wk = 0.0023697 k( 308) = ( -0.2662079 0.7337922 0.4302326), wk = 0.0023697 k( 309) = ( -0.2662079 0.7337922 0.4418605), wk = 0.0023697 k( 310) = ( -0.2662079 0.7337922 0.4534884), wk = 0.0023697 k( 311) = ( -0.2662079 0.7337922 0.4651163), wk = 0.0023697 k( 312) = ( -0.2662079 0.7337922 0.4767442), wk = 0.0023697 k( 313) = ( -0.2662079 0.7337922 0.4883721), wk = 0.0023697 k( 314) = ( -0.2662079 0.7337922 0.5000000), wk = 0.0023697 k( 315) = ( -0.2662079 0.7337922 0.5000000), wk = 0.0023697 k( 316) = ( -0.2720527 0.7279473 0.5000000), wk = 0.0023697 k( 317) = ( -0.2778975 0.7221025 0.5000000), wk = 0.0023697 k( 318) = ( -0.2837423 0.7162577 0.5000000), wk = 0.0023697 k( 319) = ( -0.2895871 0.7104129 0.5000000), wk = 0.0023697 k( 320) = ( -0.2954319 0.7045681 0.5000000), wk = 0.0023697 k( 321) = ( -0.3012767 0.6987233 0.5000000), wk = 0.0023697 k( 322) = ( -0.3071215 0.6928785 0.5000000), wk = 0.0023697 k( 323) = ( -0.3129663 0.6870337 0.5000000), wk = 0.0023697 k( 324) = ( -0.3188111 0.6811889 0.5000000), wk = 0.0023697 k( 325) = ( -0.3246559 0.6753441 0.5000000), wk = 0.0023697 k( 326) = ( -0.3305007 0.6694993 0.5000000), wk = 0.0023697 k( 327) = ( -0.3363455 0.6636545 0.5000000), wk = 0.0023697 k( 328) = ( -0.3421903 0.6578097 0.5000000), wk = 0.0023697 k( 329) = ( -0.3480351 0.6519649 0.5000000), wk = 0.0023697 k( 330) = ( -0.3538799 0.6461201 0.5000000), wk = 0.0023697 k( 331) = ( -0.3597247 0.6402753 0.5000000), wk = 0.0023697 k( 332) = ( -0.3655695 0.6344305 0.5000000), wk = 0.0023697 k( 333) = ( -0.3714143 0.6285857 0.5000000), wk = 0.0023697 k( 334) = ( -0.3772591 0.6227409 0.5000000), wk = 0.0023697 k( 335) = ( -0.3831039 0.6168961 0.5000000), wk = 0.0023697 k( 336) = ( -0.3889487 0.6110513 0.5000000), wk = 0.0023697 k( 337) = ( -0.3947935 0.6052065 0.5000000), wk = 0.0023697 k( 338) = ( -0.4006383 0.5993617 0.5000000), wk = 0.0023697 k( 339) = ( -0.4064831 0.5935169 0.5000000), wk = 0.0023697 k( 340) = ( -0.4123279 0.5876721 0.5000000), wk = 0.0023697 k( 341) = ( -0.4181727 0.5818273 0.5000000), wk = 0.0023697 k( 342) = ( -0.4240176 0.5759825 0.5000000), wk = 0.0023697 k( 343) = ( -0.4298624 0.5701376 0.5000000), wk = 0.0023697 k( 344) = ( -0.4357072 0.5642928 0.5000000), wk = 0.0023697 k( 345) = ( -0.4415520 0.5584480 0.5000000), wk = 0.0023697 k( 346) = ( -0.4473968 0.5526032 0.5000000), wk = 0.0023697 k( 347) = ( -0.4532416 0.5467584 0.5000000), wk = 0.0023697 k( 348) = ( -0.4590864 0.5409136 0.5000000), wk = 0.0023697 k( 349) = ( -0.4649312 0.5350688 0.5000000), wk = 0.0023697 k( 350) = ( -0.4707760 0.5292240 0.5000000), wk = 0.0023697 k( 351) = ( -0.4766208 0.5233792 0.5000000), wk = 0.0023697 k( 352) = ( -0.4824656 0.5175344 0.5000000), wk = 0.0023697 k( 353) = ( -0.4883104 0.5116896 0.5000000), wk = 0.0023697 k( 354) = ( -0.4941552 0.5058448 0.5000000), wk = 0.0023697 k( 355) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 356) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 357) = ( -0.5000000 0.5000000 0.4883721), wk = 0.0023697 k( 358) = ( -0.5000000 0.5000000 0.4767442), wk = 0.0023697 k( 359) = ( -0.5000000 0.5000000 0.4651163), wk = 0.0023697 k( 360) = ( -0.5000000 0.5000000 0.4534884), wk = 0.0023697 k( 361) = ( -0.5000000 0.5000000 0.4418605), wk = 0.0023697 k( 362) = ( -0.5000000 0.5000000 0.4302326), wk = 0.0023697 k( 363) = ( -0.5000000 0.5000000 0.4186046), wk = 0.0023697 k( 364) = ( -0.5000000 0.5000000 0.4069767), wk = 0.0023697 k( 365) = ( -0.5000000 0.5000000 0.3953488), wk = 0.0023697 k( 366) = ( -0.5000000 0.5000000 0.3837209), wk = 0.0023697 k( 367) = ( -0.5000000 0.5000000 0.3720930), wk = 0.0023697 k( 368) = ( -0.5000000 0.5000000 0.3604651), wk = 0.0023697 k( 369) = ( -0.5000000 0.5000000 0.3488372), wk = 0.0023697 k( 370) = ( -0.5000000 0.5000000 0.3372093), wk = 0.0023697 k( 371) = ( -0.5000000 0.5000000 0.3255814), wk = 0.0023697 k( 372) = ( -0.5000000 0.5000000 0.3139535), wk = 0.0023697 k( 373) = ( -0.5000000 0.5000000 0.3023256), wk = 0.0023697 k( 374) = ( -0.5000000 0.5000000 0.2906977), wk = 0.0023697 k( 375) = ( -0.5000000 0.5000000 0.2790698), wk = 0.0023697 k( 376) = ( -0.5000000 0.5000000 0.2674419), wk = 0.0023697 k( 377) = ( -0.5000000 0.5000000 0.2558139), wk = 0.0023697 k( 378) = ( -0.5000000 0.5000000 0.2441860), wk = 0.0023697 k( 379) = ( -0.5000000 0.5000000 0.2325581), wk = 0.0023697 k( 380) = ( -0.5000000 0.5000000 0.2209302), wk = 0.0023697 k( 381) = ( -0.5000000 0.5000000 0.2093023), wk = 0.0023697 k( 382) = ( -0.5000000 0.5000000 0.1976744), wk = 0.0023697 k( 383) = ( -0.5000000 0.5000000 0.1860465), wk = 0.0023697 k( 384) = ( -0.5000000 0.5000000 0.1744186), wk = 0.0023697 k( 385) = ( -0.5000000 0.5000000 0.1627907), wk = 0.0023697 k( 386) = ( -0.5000000 0.5000000 0.1511628), wk = 0.0023697 k( 387) = ( -0.5000000 0.5000000 0.1395349), wk = 0.0023697 k( 388) = ( -0.5000000 0.5000000 0.1279070), wk = 0.0023697 k( 389) = ( -0.5000000 0.5000000 0.1162791), wk = 0.0023697 k( 390) = ( -0.5000000 0.5000000 0.1046512), wk = 0.0023697 k( 391) = ( -0.5000000 0.5000000 0.0930233), wk = 0.0023697 k( 392) = ( -0.5000000 0.5000000 0.0813953), wk = 0.0023697 k( 393) = ( -0.5000000 0.5000000 0.0697674), wk = 0.0023697 k( 394) = ( -0.5000000 0.5000000 0.0581395), wk = 0.0023697 k( 395) = ( -0.5000000 0.5000000 0.0465116), wk = 0.0023697 k( 396) = ( -0.5000000 0.5000000 0.0348837), wk = 0.0023697 k( 397) = ( -0.5000000 0.5000000 0.0232558), wk = 0.0023697 k( 398) = ( -0.5000000 0.5000000 0.0116279), wk = 0.0023697 k( 399) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 400) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 401) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0023697 k( 402) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0023697 k( 403) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0023697 k( 404) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0023697 k( 405) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0023697 k( 406) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0023697 k( 407) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0023697 k( 408) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0023697 k( 409) = ( -0.2045454 0.2045455 0.5000000), wk = 0.0023697 k( 410) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0023697 k( 411) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023697 k( 412) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0023697 k( 413) = ( -0.2954545 0.2954546 0.5000000), wk = 0.0023697 k( 414) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0023697 k( 415) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0023697 k( 416) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0023697 k( 417) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0023697 k( 418) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0023697 k( 419) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0023697 k( 420) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0023697 k( 421) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0023697 k( 422) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 32127 G-vectors FFT dimensions: ( 72, 72, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 228, 32) NL pseudopotentials 0.29 Mb ( 114, 168) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 892) G-vector shells 0.00 Mb ( 454) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 228, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.16 Mb ( 168, 2, 32) The potential is recalculated from file : ./ZrSi2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.5 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.3 secs Computing kpt #: 17 total cpu time spent up to now is 8.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.0 secs Computing kpt #: 19 total cpu time spent up to now is 9.4 secs Computing kpt #: 20 total cpu time spent up to now is 9.7 secs Computing kpt #: 21 total cpu time spent up to now is 10.1 secs Computing kpt #: 22 total cpu time spent up to now is 10.5 secs Computing kpt #: 23 total cpu time spent up to now is 10.9 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.6 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.7 secs Computing kpt #: 29 total cpu time spent up to now is 13.1 secs Computing kpt #: 30 total cpu time spent up to now is 13.5 secs Computing kpt #: 31 total cpu time spent up to now is 13.9 secs Computing kpt #: 32 total cpu time spent up to now is 14.2 secs Computing kpt #: 33 total cpu time spent up to now is 14.6 secs Computing kpt #: 34 total cpu time spent up to now is 15.0 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.8 secs Computing kpt #: 37 total cpu time spent up to now is 16.2 secs Computing kpt #: 38 total cpu time spent up to now is 16.7 secs Computing kpt #: 39 total cpu time spent up to now is 17.6 secs Computing kpt #: 40 total cpu time spent up to now is 18.3 secs Computing kpt #: 41 total cpu time spent up to now is 18.9 secs Computing kpt #: 42 total cpu time spent up to now is 19.6 secs Computing kpt #: 43 total cpu time spent up to now is 20.2 secs Computing kpt #: 44 total cpu time spent up to now is 20.8 secs Computing kpt #: 45 total cpu time spent up to now is 21.5 secs Computing kpt #: 46 total cpu time spent up to now is 22.1 secs Computing kpt #: 47 total cpu time spent up to now is 22.8 secs Computing kpt #: 48 total cpu time spent up to now is 23.5 secs Computing kpt #: 49 total cpu time spent up to now is 24.3 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.8 secs Computing kpt #: 52 total cpu time spent up to now is 26.6 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 28.1 secs Computing kpt #: 55 total cpu time spent up to now is 28.8 secs Computing kpt #: 56 total cpu time spent up to now is 29.6 secs Computing kpt #: 57 total cpu time spent up to now is 30.4 secs Computing kpt #: 58 total cpu time spent up to now is 31.3 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 33.1 secs Computing kpt #: 61 total cpu time spent up to now is 34.0 secs Computing kpt #: 62 total cpu time spent up to now is 34.8 secs Computing kpt #: 63 total cpu time spent up to now is 35.6 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 37.0 secs Computing kpt #: 66 total cpu time spent up to now is 37.7 secs Computing kpt #: 67 total cpu time spent up to now is 38.4 secs Computing kpt #: 68 total cpu time spent up to now is 39.1 secs Computing kpt #: 69 total cpu time spent up to now is 39.7 secs Computing kpt #: 70 total cpu time spent up to now is 40.4 secs Computing kpt #: 71 total cpu time spent up to now is 41.0 secs Computing kpt #: 72 total cpu time spent up to now is 41.7 secs Computing kpt #: 73 total cpu time spent up to now is 42.4 secs Computing kpt #: 74 total cpu time spent up to now is 43.0 secs Computing kpt #: 75 total cpu time spent up to now is 43.6 secs Computing kpt #: 76 total cpu time spent up to now is 44.2 secs Computing kpt #: 77 total cpu time spent up to now is 44.9 secs Computing kpt #: 78 total cpu time spent up to now is 45.4 secs Computing kpt #: 79 total cpu time spent up to now is 46.0 secs Computing kpt #: 80 total cpu time spent up to now is 46.6 secs Computing kpt #: 81 total cpu time spent up to now is 47.1 secs Computing kpt #: 82 total cpu time spent up to now is 47.7 secs Computing kpt #: 83 total cpu time spent up to now is 48.3 secs Computing kpt #: 84 total cpu time spent up to now is 48.8 secs Computing kpt #: 85 total cpu time spent up to now is 49.4 secs Computing kpt #: 86 total cpu time spent up to now is 49.9 secs Computing kpt #: 87 total cpu time spent up to now is 50.5 secs Computing kpt #: 88 total cpu time spent up to now is 51.0 secs Computing kpt #: 89 total cpu time spent up to now is 51.5 secs Computing kpt #: 90 total cpu time spent up to now is 52.1 secs Computing kpt #: 91 total cpu time spent up to now is 52.6 secs Computing kpt #: 92 total cpu time spent up to now is 53.1 secs Computing kpt #: 93 total cpu time spent up to now is 53.6 secs Computing kpt #: 94 total cpu time spent up to now is 54.1 secs Computing kpt #: 95 total cpu time spent up to now is 54.7 secs Computing kpt #: 96 total cpu time spent up to now is 55.2 secs Computing kpt #: 97 total cpu time spent up to now is 55.7 secs Computing kpt #: 98 total cpu time spent up to now is 56.2 secs Computing kpt #: 99 total cpu time spent up to now is 56.7 secs Computing kpt #: 100 total cpu time spent up to now is 57.2 secs Computing kpt #: 101 total cpu time spent up to now is 57.8 secs Computing kpt #: 102 total cpu time spent up to now is 58.3 secs Computing kpt #: 103 total cpu time spent up to now is 58.8 secs Computing kpt #: 104 total cpu time spent up to now is 59.3 secs Computing kpt #: 105 total cpu time spent up to now is 59.8 secs Computing kpt #: 106 total cpu time spent up to now is 60.4 secs Computing kpt #: 107 total cpu time spent up to now is 60.9 secs Computing kpt #: 108 total cpu time spent up to now is 61.4 secs Computing kpt #: 109 total cpu time spent up to now is 61.9 secs Computing kpt #: 110 total cpu time spent up to now is 62.5 secs Computing kpt #: 111 total cpu time spent up to now is 63.0 secs Computing kpt #: 112 total cpu time spent up to now is 63.6 secs Computing kpt #: 113 total cpu time spent up to now is 64.1 secs Computing kpt #: 114 total cpu time spent up to now is 64.6 secs Computing kpt #: 115 total cpu time spent up to now is 65.2 secs Computing kpt #: 116 total cpu time spent up to now is 65.7 secs Computing kpt #: 117 total cpu time spent up to now is 66.3 secs Computing kpt #: 118 total cpu time spent up to now is 66.8 secs Computing kpt #: 119 total cpu time spent up to now is 67.3 secs Computing kpt #: 120 total cpu time spent up to now is 67.9 secs Computing kpt #: 121 total cpu time spent up to now is 68.4 secs Computing kpt #: 122 total cpu time spent up to now is 68.9 secs Computing kpt #: 123 total cpu time spent up to now is 69.5 secs Computing kpt #: 124 total cpu time spent up to now is 70.0 secs Computing kpt #: 125 total cpu time spent up to now is 70.5 secs Computing kpt #: 126 total cpu time spent up to now is 71.0 secs Computing kpt #: 127 total cpu time spent up to now is 71.6 secs Computing kpt #: 128 total cpu time spent up to now is 72.1 secs Computing kpt #: 129 total cpu time spent up to now is 72.7 secs Computing kpt #: 130 total cpu time spent up to now is 73.3 secs Computing kpt #: 131 total cpu time spent up to now is 73.8 secs Computing kpt #: 132 total cpu time spent up to now is 74.4 secs Computing kpt #: 133 total cpu time spent up to now is 74.9 secs Computing kpt #: 134 total cpu time spent up to now is 75.6 secs Computing kpt #: 135 total cpu time spent up to now is 76.2 secs Computing kpt #: 136 total cpu time spent up to now is 76.8 secs Computing kpt #: 137 total cpu time spent up to now is 77.4 secs Computing kpt #: 138 total cpu time spent up to now is 78.0 secs Computing kpt #: 139 total cpu time spent up to now is 78.7 secs Computing kpt #: 140 total cpu time spent up to now is 79.3 secs Computing kpt #: 141 total cpu time spent up to now is 80.0 secs Computing kpt #: 142 total cpu time spent up to now is 80.6 secs Computing kpt #: 143 total cpu time spent up to now is 81.3 secs Computing kpt #: 144 total cpu time spent up to now is 82.0 secs Computing kpt #: 145 total cpu time spent up to now is 82.7 secs Computing kpt #: 146 total cpu time spent up to now is 83.5 secs Computing kpt #: 147 total cpu time spent up to now is 84.2 secs Computing kpt #: 148 total cpu time spent up to now is 84.9 secs Computing kpt #: 149 total cpu time spent up to now is 85.6 secs Computing kpt #: 150 total cpu time spent up to now is 86.3 secs Computing kpt #: 151 total cpu time spent up to now is 86.9 secs Computing kpt #: 152 total cpu time spent up to now is 87.6 secs Computing kpt #: 153 total cpu time spent up to now is 88.2 secs Computing kpt #: 154 total cpu time spent up to now is 88.9 secs Computing kpt #: 155 total cpu time spent up to now is 89.5 secs Computing kpt #: 156 total cpu time spent up to now is 90.2 secs Computing kpt #: 157 total cpu time spent up to now is 90.9 secs Computing kpt #: 158 total cpu time spent up to now is 91.5 secs Computing kpt #: 159 total cpu time spent up to now is 92.2 secs Computing kpt #: 160 total cpu time spent up to now is 92.9 secs Computing kpt #: 161 total cpu time spent up to now is 93.5 secs Computing kpt #: 162 total cpu time spent up to now is 94.2 secs Computing kpt #: 163 total cpu time spent up to now is 94.8 secs Computing kpt #: 164 total cpu time spent up to now is 95.6 secs Computing kpt #: 165 total cpu time spent up to now is 96.6 secs Computing kpt #: 166 total cpu time spent up to now is 97.3 secs Computing kpt #: 167 total cpu time spent up to now is 98.0 secs Computing kpt #: 168 total cpu time spent up to now is 98.8 secs Computing kpt #: 169 total cpu time spent up to now is 99.4 secs Computing kpt #: 170 total cpu time spent up to now is 100.0 secs Computing kpt #: 171 total cpu time spent up to now is 100.6 secs Computing kpt #: 172 total cpu time spent up to now is 101.2 secs Computing kpt #: 173 total cpu time spent up to now is 101.9 secs Computing kpt #: 174 total cpu time spent up to now is 102.6 secs Computing kpt #: 175 total cpu time spent up to now is 103.3 secs Computing kpt #: 176 total cpu time spent up to now is 104.3 secs Computing kpt #: 177 total cpu time spent up to now is 104.9 secs Computing kpt #: 178 total cpu time spent up to now is 105.4 secs Computing kpt #: 179 total cpu time spent up to now is 105.8 secs Computing kpt #: 180 total cpu time spent up to now is 106.2 secs Computing kpt #: 181 total cpu time spent up to now is 106.5 secs Computing kpt #: 182 total cpu time spent up to now is 106.9 secs Computing kpt #: 183 total cpu time spent up to now is 107.3 secs Computing kpt #: 184 total cpu time spent up to now is 107.7 secs Computing kpt #: 185 total cpu time spent up to now is 108.0 secs Computing kpt #: 186 total cpu time spent up to now is 108.4 secs Computing kpt #: 187 total cpu time spent up to now is 108.8 secs Computing kpt #: 188 total cpu time spent up to now is 109.2 secs Computing kpt #: 189 total cpu time spent up to now is 109.6 secs Computing kpt #: 190 total cpu time spent up to now is 110.0 secs Computing kpt #: 191 total cpu time spent up to now is 110.4 secs Computing kpt #: 192 total cpu time spent up to now is 110.7 secs Computing kpt #: 193 total cpu time spent up to now is 111.1 secs Computing kpt #: 194 total cpu time spent up to now is 111.6 secs Computing kpt #: 195 total cpu time spent up to now is 112.0 secs Computing kpt #: 196 total cpu time spent up to now is 112.6 secs Computing kpt #: 197 total cpu time spent up to now is 113.2 secs Computing kpt #: 198 total cpu time spent up to now is 113.8 secs Computing kpt #: 199 total cpu time spent up to now is 114.2 secs Computing kpt #: 200 total cpu time spent up to now is 114.8 secs Computing kpt #: 201 total cpu time spent up to now is 115.5 secs Computing kpt #: 202 total cpu time spent up to now is 116.2 secs Computing kpt #: 203 total cpu time spent up to now is 116.8 secs Computing kpt #: 204 total cpu time spent up to now is 117.3 secs Computing kpt #: 205 total cpu time spent up to now is 117.8 secs Computing kpt #: 206 total cpu time spent up to now is 118.2 secs Computing kpt #: 207 total cpu time spent up to now is 118.7 secs Computing kpt #: 208 total cpu time spent up to now is 119.1 secs Computing kpt #: 209 total cpu time spent up to now is 119.6 secs Computing kpt #: 210 total cpu time spent up to now is 120.0 secs Computing kpt #: 211 total cpu time spent up to now is 120.5 secs Computing kpt #: 212 total cpu time spent up to now is 121.0 secs Computing kpt #: 213 total cpu time spent up to now is 121.5 secs Computing kpt #: 214 total cpu time spent up to now is 122.1 secs Computing kpt #: 215 total cpu time spent up to now is 122.7 secs Computing kpt #: 216 total cpu time spent up to now is 123.2 secs Computing kpt #: 217 total cpu time spent up to now is 124.0 secs Computing kpt #: 218 total cpu time spent up to now is 124.9 secs Computing kpt #: 219 total cpu time spent up to now is 126.1 secs Computing kpt #: 220 total cpu time spent up to now is 126.9 secs Computing kpt #: 221 total cpu time spent up to now is 127.6 secs Computing kpt #: 222 total cpu time spent up to now is 128.4 secs Computing kpt #: 223 total cpu time spent up to now is 129.1 secs Computing kpt #: 224 total cpu time spent up to now is 129.8 secs Computing kpt #: 225 total cpu time spent up to now is 130.4 secs Computing kpt #: 226 total cpu time spent up to now is 131.0 secs Computing kpt #: 227 total cpu time spent up to now is 131.6 secs Computing kpt #: 228 total cpu time spent up to now is 132.2 secs Computing kpt #: 229 total cpu time spent up to now is 132.8 secs Computing kpt #: 230 total cpu time spent up to now is 133.4 secs Computing kpt #: 231 total cpu time spent up to now is 134.0 secs Computing kpt #: 232 total cpu time spent up to now is 134.5 secs Computing kpt #: 233 total cpu time spent up to now is 135.1 secs Computing kpt #: 234 total cpu time spent up to now is 135.6 secs Computing kpt #: 235 total cpu time spent up to now is 136.1 secs Computing kpt #: 236 total cpu time spent up to now is 136.7 secs Computing kpt #: 237 total cpu time spent up to now is 137.4 secs Computing kpt #: 238 total cpu time spent up to now is 138.0 secs Computing kpt #: 239 total cpu time spent up to now is 138.5 secs Computing kpt #: 240 total cpu time spent up to now is 138.9 secs Computing kpt #: 241 total cpu time spent up to now is 139.4 secs Computing kpt #: 242 total cpu time spent up to now is 139.9 secs Computing kpt #: 243 total cpu time spent up to now is 140.4 secs Computing kpt #: 244 total cpu time spent up to now is 140.8 secs Computing kpt #: 245 total cpu time spent up to now is 141.3 secs Computing kpt #: 246 total cpu time spent up to now is 141.7 secs Computing kpt #: 247 total cpu time spent up to now is 142.2 secs Computing kpt #: 248 total cpu time spent up to now is 142.6 secs Computing kpt #: 249 total cpu time spent up to now is 143.1 secs Computing kpt #: 250 total cpu time spent up to now is 143.5 secs Computing kpt #: 251 total cpu time spent up to now is 143.9 secs Computing kpt #: 252 total cpu time spent up to now is 144.2 secs Computing kpt #: 253 total cpu time spent up to now is 144.6 secs Computing kpt #: 254 total cpu time spent up to now is 145.0 secs Computing kpt #: 255 total cpu time spent up to now is 145.4 secs Computing kpt #: 256 total cpu time spent up to now is 145.8 secs Computing kpt #: 257 total cpu time spent up to now is 146.2 secs Computing kpt #: 258 total cpu time spent up to now is 146.6 secs Computing kpt #: 259 total cpu time spent up to now is 147.0 secs Computing kpt #: 260 total cpu time spent up to now is 147.4 secs Computing kpt #: 261 total cpu time spent up to now is 147.9 secs Computing kpt #: 262 total cpu time spent up to now is 148.3 secs Computing kpt #: 263 total cpu time spent up to now is 148.8 secs Computing kpt #: 264 total cpu time spent up to now is 149.3 secs Computing kpt #: 265 total cpu time spent up to now is 150.0 secs Computing kpt #: 266 total cpu time spent up to now is 151.0 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.0 secs Computing kpt #: 268 total cpu time spent up to now is 152.8 secs Computing kpt #: 269 total cpu time spent up to now is 153.5 secs Computing kpt #: 270 total cpu time spent up to now is 154.1 secs Computing kpt #: 271 total cpu time spent up to now is 154.8 secs Computing kpt #: 272 total cpu time spent up to now is 155.6 secs Computing kpt #: 273 total cpu time spent up to now is 156.4 secs Computing kpt #: 274 total cpu time spent up to now is 157.2 secs Computing kpt #: 275 total cpu time spent up to now is 158.0 secs Computing kpt #: 276 total cpu time spent up to now is 158.7 secs Computing kpt #: 277 total cpu time spent up to now is 159.4 secs Computing kpt #: 278 total cpu time spent up to now is 160.0 secs Computing kpt #: 279 total cpu time spent up to now is 160.8 secs Computing kpt #: 280 total cpu time spent up to now is 161.6 secs Computing kpt #: 281 total cpu time spent up to now is 162.4 secs Computing kpt #: 282 total cpu time spent up to now is 163.4 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.5 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.6 secs Computing kpt #: 285 total cpu time spent up to now is 166.5 secs Computing kpt #: 286 total cpu time spent up to now is 167.3 secs Computing kpt #: 287 total cpu time spent up to now is 168.0 secs Computing kpt #: 288 total cpu time spent up to now is 168.6 secs Computing kpt #: 289 total cpu time spent up to now is 169.3 secs Computing kpt #: 290 total cpu time spent up to now is 170.0 secs Computing kpt #: 291 total cpu time spent up to now is 171.2 secs Computing kpt #: 292 total cpu time spent up to now is 171.9 secs Computing kpt #: 293 total cpu time spent up to now is 172.5 secs Computing kpt #: 294 total cpu time spent up to now is 173.1 secs Computing kpt #: 295 total cpu time spent up to now is 173.6 secs Computing kpt #: 296 total cpu time spent up to now is 174.2 secs Computing kpt #: 297 total cpu time spent up to now is 174.8 secs Computing kpt #: 298 total cpu time spent up to now is 175.3 secs Computing kpt #: 299 total cpu time spent up to now is 175.9 secs Computing kpt #: 300 total cpu time spent up to now is 176.5 secs Computing kpt #: 301 total cpu time spent up to now is 177.0 secs Computing kpt #: 302 total cpu time spent up to now is 177.6 secs Computing kpt #: 303 total cpu time spent up to now is 178.2 secs Computing kpt #: 304 total cpu time spent up to now is 178.7 secs Computing kpt #: 305 total cpu time spent up to now is 179.3 secs Computing kpt #: 306 total cpu time spent up to now is 179.9 secs Computing kpt #: 307 total cpu time spent up to now is 180.5 secs Computing kpt #: 308 total cpu time spent up to now is 181.0 secs Computing kpt #: 309 total cpu time spent up to now is 181.6 secs Computing kpt #: 310 total cpu time spent up to now is 182.2 secs Computing kpt #: 311 total cpu time spent up to now is 182.7 secs Computing kpt #: 312 total cpu time spent up to now is 183.3 secs Computing kpt #: 313 total cpu time spent up to now is 183.8 secs Computing kpt #: 314 total cpu time spent up to now is 184.4 secs Computing kpt #: 315 total cpu time spent up to now is 184.9 secs Computing kpt #: 316 total cpu time spent up to now is 185.4 secs Computing kpt #: 317 total cpu time spent up to now is 186.0 secs Computing kpt #: 318 total cpu time spent up to now is 186.5 secs Computing kpt #: 319 total cpu time spent up to now is 187.0 secs Computing kpt #: 320 total cpu time spent up to now is 187.5 secs Computing kpt #: 321 total cpu time spent up to now is 188.0 secs Computing kpt #: 322 total cpu time spent up to now is 188.6 secs Computing kpt #: 323 total cpu time spent up to now is 189.1 secs Computing kpt #: 324 total cpu time spent up to now is 189.6 secs Computing kpt #: 325 total cpu time spent up to now is 190.1 secs Computing kpt #: 326 total cpu time spent up to now is 190.7 secs Computing kpt #: 327 total cpu time spent up to now is 191.2 secs Computing kpt #: 328 total cpu time spent up to now is 191.7 secs Computing kpt #: 329 total cpu time spent up to now is 192.3 secs Computing kpt #: 330 total cpu time spent up to now is 192.8 secs Computing kpt #: 331 total cpu time spent up to now is 193.4 secs Computing kpt #: 332 total cpu time spent up to now is 193.9 secs Computing kpt #: 333 total cpu time spent up to now is 194.5 secs Computing kpt #: 334 total cpu time spent up to now is 195.0 secs Computing kpt #: 335 total cpu time spent up to now is 195.6 secs Computing kpt #: 336 total cpu time spent up to now is 196.1 secs Computing kpt #: 337 total cpu time spent up to now is 196.6 secs Computing kpt #: 338 total cpu time spent up to now is 197.1 secs Computing kpt #: 339 total cpu time spent up to now is 197.6 secs Computing kpt #: 340 total cpu time spent up to now is 198.1 secs Computing kpt #: 341 total cpu time spent up to now is 198.6 secs Computing kpt #: 342 total cpu time spent up to now is 199.0 secs Computing kpt #: 343 total cpu time spent up to now is 199.4 secs Computing kpt #: 344 total cpu time spent up to now is 199.8 secs Computing kpt #: 345 total cpu time spent up to now is 200.2 secs Computing kpt #: 346 total cpu time spent up to now is 200.6 secs Computing kpt #: 347 total cpu time spent up to now is 201.1 secs Computing kpt #: 348 total cpu time spent up to now is 201.8 secs Computing kpt #: 349 total cpu time spent up to now is 202.2 secs Computing kpt #: 350 total cpu time spent up to now is 202.6 secs Computing kpt #: 351 total cpu time spent up to now is 202.9 secs Computing kpt #: 352 total cpu time spent up to now is 203.3 secs Computing kpt #: 353 total cpu time spent up to now is 203.7 secs Computing kpt #: 354 total cpu time spent up to now is 204.1 secs Computing kpt #: 355 total cpu time spent up to now is 204.5 secs Computing kpt #: 356 total cpu time spent up to now is 204.9 secs Computing kpt #: 357 total cpu time spent up to now is 205.3 secs Computing kpt #: 358 total cpu time spent up to now is 205.7 secs Computing kpt #: 359 total cpu time spent up to now is 206.1 secs Computing kpt #: 360 total cpu time spent up to now is 206.4 secs Computing kpt #: 361 total cpu time spent up to now is 206.8 secs Computing kpt #: 362 total cpu time spent up to now is 207.2 secs Computing kpt #: 363 total cpu time spent up to now is 207.7 secs Computing kpt #: 364 total cpu time spent up to now is 208.3 secs Computing kpt #: 365 total cpu time spent up to now is 208.9 secs Computing kpt #: 366 total cpu time spent up to now is 209.3 secs Computing kpt #: 367 total cpu time spent up to now is 209.7 secs Computing kpt #: 368 total cpu time spent up to now is 210.1 secs Computing kpt #: 369 total cpu time spent up to now is 210.5 secs Computing kpt #: 370 total cpu time spent up to now is 210.9 secs Computing kpt #: 371 total cpu time spent up to now is 211.3 secs Computing kpt #: 372 total cpu time spent up to now is 211.7 secs Computing kpt #: 373 total cpu time spent up to now is 212.1 secs Computing kpt #: 374 total cpu time spent up to now is 212.4 secs Computing kpt #: 375 total cpu time spent up to now is 212.8 secs Computing kpt #: 376 total cpu time spent up to now is 213.2 secs Computing kpt #: 377 total cpu time spent up to now is 213.6 secs Computing kpt #: 378 total cpu time spent up to now is 214.0 secs Computing kpt #: 379 total cpu time spent up to now is 214.3 secs Computing kpt #: 380 total cpu time spent up to now is 214.7 secs Computing kpt #: 381 total cpu time spent up to now is 215.1 secs Computing kpt #: 382 total cpu time spent up to now is 215.5 secs Computing kpt #: 383 total cpu time spent up to now is 215.9 secs Computing kpt #: 384 total cpu time spent up to now is 216.3 secs Computing kpt #: 385 total cpu time spent up to now is 216.7 secs Computing kpt #: 386 total cpu time spent up to now is 217.2 secs Computing kpt #: 387 total cpu time spent up to now is 217.6 secs Computing kpt #: 388 total cpu time spent up to now is 218.0 secs Computing kpt #: 389 total cpu time spent up to now is 218.5 secs Computing kpt #: 390 total cpu time spent up to now is 218.9 secs Computing kpt #: 391 total cpu time spent up to now is 219.4 secs Computing kpt #: 392 total cpu time spent up to now is 219.9 secs Computing kpt #: 393 total cpu time spent up to now is 220.4 secs Computing kpt #: 394 total cpu time spent up to now is 221.1 secs Computing kpt #: 395 total cpu time spent up to now is 221.8 secs Computing kpt #: 396 total cpu time spent up to now is 222.5 secs Computing kpt #: 397 total cpu time spent up to now is 223.1 secs Computing kpt #: 398 total cpu time spent up to now is 223.7 secs Computing kpt #: 399 total cpu time spent up to now is 224.2 secs Computing kpt #: 400 total cpu time spent up to now is 224.8 secs Computing kpt #: 401 total cpu time spent up to now is 225.4 secs Computing kpt #: 402 total cpu time spent up to now is 226.0 secs Computing kpt #: 403 total cpu time spent up to now is 226.6 secs Computing kpt #: 404 total cpu time spent up to now is 227.1 secs Computing kpt #: 405 total cpu time spent up to now is 227.7 secs Computing kpt #: 406 total cpu time spent up to now is 228.2 secs Computing kpt #: 407 total cpu time spent up to now is 228.8 secs Computing kpt #: 408 total cpu time spent up to now is 229.3 secs Computing kpt #: 409 total cpu time spent up to now is 229.8 secs Computing kpt #: 410 total cpu time spent up to now is 230.3 secs Computing kpt #: 411 total cpu time spent up to now is 230.8 secs Computing kpt #: 412 total cpu time spent up to now is 231.3 secs Computing kpt #: 413 total cpu time spent up to now is 231.8 secs Computing kpt #: 414 total cpu time spent up to now is 232.3 secs Computing kpt #: 415 total cpu time spent up to now is 232.8 secs Computing kpt #: 416 total cpu time spent up to now is 233.2 secs Computing kpt #: 417 total cpu time spent up to now is 233.7 secs Computing kpt #: 418 total cpu time spent up to now is 234.1 secs Computing kpt #: 419 total cpu time spent up to now is 234.4 secs Computing kpt #: 420 total cpu time spent up to now is 234.8 secs Computing kpt #: 421 total cpu time spent up to now is 235.2 secs Computing kpt #: 422 total cpu time spent up to now is 235.6 secs ethr = 4.17E-08, avg # of iterations = 37.6 total cpu time spent up to now is 235.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3999 PWs) bands (ev): -4.5892 -4.5892 -0.4424 -0.4424 3.2826 3.2826 4.5073 4.5073 4.6876 4.6876 5.1834 5.1834 7.0468 7.0468 7.5238 7.5238 8.2976 8.2976 8.6433 8.6433 8.8240 8.8240 9.0813 9.0813 10.9676 10.9676 11.1914 11.1914 11.2998 11.2998 11.5579 11.5579 k = 0.0059 0.0232-0.0000 ( 3999 PWs) bands (ev): -4.5878 -4.5878 -0.4414 -0.4414 3.2842 3.2842 4.4722 4.4722 4.6885 4.6885 5.2154 5.2154 7.0402 7.0402 7.5257 7.5257 8.3028 8.3028 8.6446 8.6446 8.8212 8.8212 9.0848 9.0848 10.9632 10.9632 11.1796 11.1796 11.2966 11.2966 11.5508 11.5508 k = 0.0118 0.0465-0.0000 ( 4003 PWs) bands (ev): -4.5836 -4.5836 -0.4384 -0.4384 3.2891 3.2891 4.3819 4.3819 4.6914 4.6914 5.2965 5.2965 7.0205 7.0205 7.5314 7.5314 8.3183 8.3183 8.6487 8.6487 8.8127 8.8127 9.0952 9.0952 10.9503 10.9503 11.1449 11.1449 11.2891 11.2891 11.5299 11.5299 k = 0.0177 0.0697-0.0000 ( 4007 PWs) bands (ev): -4.5765 -4.5765 -0.4335 -0.4335 3.2972 3.2972 4.2603 4.2603 4.6963 4.6963 5.4027 5.4027 6.9882 6.9882 7.5406 7.5406 8.3443 8.3443 8.6552 8.6552 8.7988 8.7988 9.1120 9.1120 10.9298 10.9298 11.0905 11.0905 11.2797 11.2797 11.4961 11.4961 k = 0.0237 0.0929-0.0000 ( 4007 PWs) bands (ev): -4.5665 -4.5665 -0.4267 -0.4267 3.3086 3.3086 4.1223 4.1223 4.7032 4.7032 5.5191 5.5191 6.9440 6.9440 7.5532 7.5532 8.3810 8.3810 8.6640 8.6640 8.7798 8.7798 9.1345 9.1345 10.9028 10.9028 11.0221 11.0221 11.2684 11.2684 11.4508 11.4508 k = 0.0296 0.1162-0.0000 ( 3997 PWs) bands (ev): -4.5538 -4.5538 -0.4180 -0.4180 3.3232 3.3232 3.9756 3.9756 4.7121 4.7121 5.6383 5.6383 6.8890 6.8890 7.5687 7.5687 8.4282 8.4282 8.6739 8.6739 8.7569 8.7569 9.1621 9.1621 10.8704 10.8704 10.9453 10.9453 11.2540 11.2540 11.3957 11.3957 k = 0.0355 0.1394-0.0000 ( 3991 PWs) bands (ev): -4.5382 -4.5382 -0.4077 -0.4077 3.3409 3.3409 3.8240 3.8240 4.7229 4.7229 5.7564 5.7564 6.8241 6.8241 7.5869 7.5869 8.4858 8.4858 8.6810 8.6810 8.7344 8.7344 9.1937 9.1937 10.8307 10.8307 10.8669 10.8669 11.2351 11.2351 11.3326 11.3326 k = 0.0414 0.1626-0.0000 ( 3991 PWs) bands (ev): -4.5198 -4.5198 -0.3957 -0.3957 3.3618 3.3618 3.6699 3.6699 4.7356 4.7356 5.8716 5.8716 6.7504 6.7504 7.6075 7.6075 8.5521 8.5521 8.6716 8.6716 8.7276 8.7276 9.2287 9.2287 10.7646 10.7646 10.8095 10.8095 11.2103 11.2103 11.2638 11.2638 k = 0.0473 0.1859-0.0000 ( 3988 PWs) bands (ev): -4.4986 -4.4986 -0.3823 -0.3823 3.3856 3.3856 3.5149 3.5149 4.7503 4.7503 5.9825 5.9825 6.6689 6.6689 7.6300 7.6300 8.6062 8.6062 8.6628 8.6628 8.7398 8.7398 9.2664 9.2664 10.6791 10.6791 10.7689 10.7689 11.1746 11.1746 11.1945 11.1945 k = 0.0532 0.2091-0.0000 ( 3998 PWs) bands (ev): -4.4746 -4.4746 -0.3678 -0.3678 3.3584 3.3584 3.4140 3.4140 4.7669 4.7669 6.0888 6.0888 6.5806 6.5806 7.6543 7.6543 8.5813 8.5813 8.7298 8.7298 8.7622 8.7622 9.3060 9.3060 10.5906 10.5906 10.7306 10.7306 11.1084 11.1084 11.1450 11.1450 k = 0.0592 0.2323-0.0000 ( 3994 PWs) bands (ev): -4.4478 -4.4478 -0.3522 -0.3522 3.2050 3.2050 3.4434 3.4434 4.7854 4.7854 6.1903 6.1903 6.4864 6.4864 7.6803 7.6803 8.5343 8.5343 8.7731 8.7731 8.8365 8.8365 9.3472 9.3472 10.5018 10.5018 10.6933 10.6933 11.0312 11.0312 11.0964 11.0964 k = 0.0651 0.2556-0.0000 ( 3994 PWs) bands (ev): -4.4182 -4.4182 -0.3361 -0.3361 3.0527 3.0527 3.4763 3.4763 4.8057 4.8057 6.2868 6.2868 6.3870 6.3870 7.7077 7.7077 8.4810 8.4810 8.7960 8.7960 8.9427 8.9427 9.3895 9.3895 10.4136 10.4136 10.6570 10.6570 10.9533 10.9533 11.0393 11.0393 k = 0.0710 0.2788-0.0000 ( 3990 PWs) bands (ev): -4.3858 -4.3858 -0.3197 -0.3197 2.9028 2.9028 3.5122 3.5122 4.8279 4.8279 6.2832 6.2832 6.3788 6.3788 7.7367 7.7367 8.4232 8.4232 8.8178 8.8178 9.0581 9.0581 9.4326 9.4326 10.3268 10.3268 10.6216 10.6216 10.8765 10.8765 10.9732 10.9732 k = 0.0769 0.3020-0.0000 ( 3990 PWs) bands (ev): -4.3506 -4.3506 -0.3034 -0.3034 2.7563 2.7563 3.5507 3.5507 4.8520 4.8520 6.1758 6.1758 6.4664 6.4664 7.7670 7.7670 8.3617 8.3617 8.8387 8.8387 9.1804 9.1804 9.4766 9.4766 10.2417 10.2417 10.5872 10.5872 10.8021 10.8021 10.8984 10.8984 k = 0.0828 0.3253-0.0000 ( 4000 PWs) bands (ev): -4.3127 -4.3127 -0.2880 -0.2880 2.6138 2.6138 3.5919 3.5919 4.8779 4.8779 6.0652 6.0652 6.5499 6.5499 7.7989 7.7989 8.2971 8.2971 8.8578 8.8578 9.3080 9.3080 9.5213 9.5213 10.1587 10.1587 10.5536 10.5536 10.7312 10.7312 10.8157 10.8157 k = 0.0887 0.3485-0.0000 ( 4008 PWs) bands (ev): -4.2720 -4.2720 -0.2739 -0.2739 2.4762 2.4762 3.6356 3.6356 4.9055 4.9055 5.9522 5.9522 6.6297 6.6297 7.8322 7.8322 8.2298 8.2298 8.8743 8.8743 9.4392 9.4392 9.5669 9.5669 10.0780 10.0780 10.5205 10.5205 10.6648 10.6648 10.7269 10.7269 k = 0.0947 0.3717-0.0000 ( 4006 PWs) bands (ev): -4.2286 -4.2286 -0.2621 -0.2621 2.3447 2.3447 3.6815 3.6815 4.9350 4.9350 5.8373 5.8373 6.7061 6.7061 7.8671 7.8671 8.1602 8.1602 8.8871 8.8871 9.5714 9.5714 9.6147 9.6147 10.0001 10.0001 10.4875 10.4875 10.6028 10.6028 10.6347 10.6347 k = 0.1006 0.3950-0.0000 ( 4002 PWs) bands (ev): -4.1824 -4.1824 -0.2535 -0.2535 2.2201 2.2201 3.7294 3.7294 4.9661 4.9661 5.7211 5.7211 6.7792 6.7792 7.9034 7.9034 8.0888 8.0888 8.8953 8.8953 9.6582 9.6582 9.7086 9.7086 9.9253 9.9253 10.4538 10.4538 10.5322 10.5322 10.5561 10.5561 k = 0.1065 0.4182-0.0000 ( 4006 PWs) bands (ev): -4.1336 -4.1336 -0.2491 -0.2491 2.1037 2.1037 3.7790 3.7790 4.9990 4.9990 5.6043 5.6043 6.8492 6.8492 7.9413 7.9413 8.0158 8.0158 8.8980 8.8980 9.7081 9.7081 9.8300 9.8300 9.8597 9.8597 10.4143 10.4143 10.4484 10.4484 10.5057 10.5057 k = 0.1124 0.4414-0.0000 ( 4010 PWs) bands (ev): -4.0820 -4.0820 -0.2502 -0.2502 1.9969 1.9969 3.8297 3.8297 5.0334 5.0334 5.4876 5.4876 6.9162 6.9162 7.9415 7.9415 7.9807 7.9807 8.8945 8.8945 9.7585 9.7585 9.7825 9.7825 9.9519 9.9519 10.3529 10.3529 10.3980 10.3980 10.4648 10.4648 k = 0.1183 0.4647-0.0000 ( 4010 PWs) bands (ev): -4.0278 -4.0278 -0.2581 -0.2581 1.9010 1.9010 3.8810 3.8810 5.0696 5.0696 5.3718 5.3718 6.9800 6.9800 7.8665 7.8665 8.0212 8.0212 8.8845 8.8845 9.7169 9.7169 9.8107 9.8107 10.0156 10.0156 10.3219 10.3219 10.3652 10.3652 10.4312 10.4312 k = 0.1242 0.4879-0.0000 ( 4012 PWs) bands (ev): -3.9709 -3.9709 -0.2740 -0.2740 1.8174 1.8174 3.9318 3.9318 5.1072 5.1072 5.2583 5.2583 7.0405 7.0405 7.7908 7.7908 8.0627 8.0627 8.8679 8.8679 9.6548 9.6548 9.8637 9.8637 9.9917 9.9917 10.3199 10.3199 10.3911 10.3911 10.4047 10.4047 k = 0.1301 0.5111-0.0000 ( 4016 PWs) bands (ev): -3.9114 -3.9114 -0.2992 -0.2992 1.7473 1.7473 3.9806 3.9806 5.1430 5.1430 5.1520 5.1520 7.0976 7.0976 7.7147 7.7147 8.1049 8.1049 8.8450 8.8450 9.5962 9.5962 9.9052 9.9052 9.9296 9.9296 10.2869 10.2869 10.3844 10.3844 10.4993 10.4993 k = 0.1361 0.5344-0.0000 ( 4016 PWs) bands (ev): -3.8493 -3.8493 -0.3345 -0.3345 1.6916 1.6916 4.0252 4.0252 5.0448 5.0448 5.1875 5.1875 7.1507 7.1507 7.6383 7.6383 8.1471 8.1471 8.8163 8.8163 9.5411 9.5411 9.8262 9.8262 9.9749 9.9749 10.2506 10.2506 10.3706 10.3706 10.6253 10.6253 k = 0.1420 0.5576-0.0000 ( 4024 PWs) bands (ev): -3.7845 -3.7845 -0.3804 -0.3804 1.6510 1.6510 4.0618 4.0618 4.9515 4.9515 5.2297 5.2297 7.1994 7.1994 7.5620 7.5620 8.1886 8.1886 8.7826 8.7826 9.4898 9.4898 9.7381 9.7381 10.0275 10.0275 10.2127 10.2127 10.3632 10.3632 10.7564 10.7564 k = 0.1479 0.5808-0.0000 ( 4028 PWs) bands (ev): -3.7172 -3.7172 -0.4370 -0.4370 1.6253 1.6253 4.0848 4.0848 4.8740 4.8740 5.2733 5.2733 7.2430 7.2430 7.4858 7.4858 8.2284 8.2284 8.7447 8.7447 9.4424 9.4424 9.6551 9.6551 10.0762 10.0762 10.1734 10.1734 10.3632 10.3632 10.8885 10.8885 k = 0.1538 0.6041-0.0000 ( 4026 PWs) bands (ev): -3.6474 -3.6474 -0.5037 -0.5037 1.6143 1.6143 4.0872 4.0872 4.8195 4.8195 5.3184 5.3184 7.2806 7.2806 7.4098 7.4098 8.2654 8.2654 8.7036 8.7036 9.3988 9.3988 9.5811 9.5811 10.1167 10.1167 10.1330 10.1330 10.3727 10.3727 11.0203 11.0203 k = 0.1597 0.6273-0.0000 ( 4024 PWs) bands (ev): -3.5750 -3.5750 -0.5797 -0.5797 1.6169 1.6169 4.0629 4.0629 4.7941 4.7941 5.3647 5.3647 7.3105 7.3105 7.3351 7.3351 8.2984 8.2984 8.6600 8.6600 9.3592 9.3592 9.5196 9.5196 10.0912 10.0912 10.1443 10.1443 10.3947 10.3947 11.1509 11.1509 k = 0.1656 0.6505-0.0000 ( 4024 PWs) bands (ev): -3.5001 -3.5001 -0.6638 -0.6638 1.6321 1.6321 4.0111 4.0111 4.7987 4.7987 5.4124 5.4124 7.2585 7.2585 7.3343 7.3343 8.3263 8.3263 8.6147 8.6147 9.3236 9.3236 9.4733 9.4733 10.0488 10.0488 10.1561 10.1561 10.4298 10.4298 11.2800 11.2800 k = 0.1716 0.6738-0.0000 ( 4022 PWs) bands (ev): -3.4227 -3.4227 -0.7549 -0.7549 1.6586 1.6586 3.9369 3.9369 4.8283 4.8283 5.4612 5.4612 7.1840 7.1840 7.3468 7.3468 8.3489 8.3489 8.5685 8.5685 9.2920 9.2920 9.4446 9.4446 10.0058 10.0058 10.1533 10.1533 10.4752 10.4752 11.4075 11.4075 k = 0.1775 0.6970-0.0000 ( 4020 PWs) bands (ev): -3.3429 -3.3429 -0.8516 -0.8516 1.6952 1.6952 3.8470 3.8470 4.8761 4.8761 5.5113 5.5113 7.1100 7.1100 7.3483 7.3483 8.3667 8.3667 8.5218 8.5218 9.2646 9.2646 9.4345 9.4345 9.9625 9.9625 10.1386 10.1386 10.5263 10.5263 11.5332 11.5332 k = 0.1834 0.7202-0.0000 ( 4022 PWs) bands (ev): -3.2607 -3.2607 -0.9527 -0.9527 1.7407 1.7407 3.7471 3.7471 4.9364 4.9364 5.5625 5.5625 7.0366 7.0366 7.3371 7.3371 8.3814 8.3814 8.4754 8.4754 9.2412 9.2412 9.4430 9.4430 9.9193 9.9193 10.1141 10.1141 10.5796 10.5796 11.6571 11.6571 k = 0.1893 0.7435-0.0000 ( 4020 PWs) bands (ev): -3.1761 -3.1761 -1.0573 -1.0573 1.7941 1.7941 3.6412 3.6412 5.0054 5.0054 5.6148 5.6148 6.9639 6.9639 7.3126 7.3126 8.3952 8.3952 8.4298 8.4298 9.2219 9.2219 9.4684 9.4684 9.8765 9.8765 10.0809 10.0809 10.6327 10.6327 11.7789 11.7789 k = 0.1952 0.7667-0.0000 ( 4024 PWs) bands (ev): -3.0892 -3.0892 -1.1645 -1.1645 1.8544 1.8544 3.5316 3.5316 5.0805 5.0805 5.6682 5.6682 6.8919 6.8919 7.2746 7.2746 8.3828 8.3828 8.4132 8.4132 9.2068 9.2068 9.5087 9.5087 9.8344 9.8344 10.0399 10.0399 10.6837 10.6837 11.8986 11.8986 k = 0.2011 0.7899-0.0000 ( 4014 PWs) bands (ev): -3.0001 -3.0001 -1.2734 -1.2734 1.9208 1.9208 3.4202 3.4202 5.1601 5.1601 5.7225 5.7225 6.8206 6.8206 7.2237 7.2237 8.3394 8.3394 8.4324 8.4324 9.1957 9.1957 9.5612 9.5612 9.7934 9.7934 9.9915 9.9915 10.7317 10.7317 12.0158 12.0158 k = 0.2071 0.8132-0.0000 ( 4024 PWs) bands (ev): -2.9087 -2.9087 -1.3834 -1.3834 1.9927 1.9927 3.3078 3.3078 5.2430 5.2430 5.7779 5.7779 6.7501 6.7501 7.1612 7.1612 8.2969 8.2969 8.4571 8.4571 9.1887 9.1887 9.6232 9.6232 9.7540 9.7540 9.9366 9.9366 10.7756 10.7756 12.1301 12.1301 k = 0.2130 0.8364-0.0000 ( 4032 PWs) bands (ev): -2.8151 -2.8151 -1.4940 -1.4940 2.0695 2.0695 3.1953 3.1953 5.3284 5.3284 5.8342 5.8342 6.6803 6.6803 7.0888 7.0888 8.2559 8.2559 8.4870 8.4870 9.1857 9.1857 9.6896 9.6896 9.7196 9.7196 9.8758 9.8758 10.8148 10.8148 12.2405 12.2405 k = 0.2189 0.8596-0.0000 ( 4028 PWs) bands (ev): -2.7194 -2.7194 -1.6047 -1.6047 2.1507 2.1507 3.0833 3.0833 5.4156 5.4156 5.8914 5.8914 6.6113 6.6113 7.0083 7.0083 8.2166 8.2166 8.5222 8.5222 9.1866 9.1866 9.6776 9.6776 9.7705 9.7705 9.8111 9.8111 10.8490 10.8490 12.3442 12.3442 k = 0.2248 0.8829-0.0000 ( 4026 PWs) bands (ev): -2.6217 -2.6217 -1.7151 -1.7151 2.2359 2.2359 2.9721 2.9721 5.5040 5.5040 5.9495 5.9495 6.5430 6.5430 6.9214 6.9214 8.1792 8.1792 8.5621 8.5621 9.1914 9.1914 9.6444 9.6444 9.7386 9.7386 9.8527 9.8527 10.8778 10.8778 12.4121 12.4121 k = 0.2307 0.9061-0.0000 ( 4030 PWs) bands (ev): -2.5220 -2.5220 -1.8249 -1.8249 2.3247 2.3247 2.8622 2.8622 5.5932 5.5932 6.0084 6.0084 6.4756 6.4756 6.8296 6.8296 8.1437 8.1437 8.6063 8.6063 9.1999 9.1999 9.6132 9.6132 9.6656 9.6656 9.9359 9.9359 10.9012 10.9012 12.4026 12.4026 k = 0.2366 0.9293-0.0000 ( 4020 PWs) bands (ev): -2.4204 -2.4204 -1.9339 -1.9339 2.4168 2.4168 2.7538 2.7538 5.6827 5.6827 6.0682 6.0682 6.4090 6.4090 6.7342 6.7342 8.1102 8.1102 8.6545 8.6545 9.2120 9.2120 9.5830 9.5830 9.5917 9.5917 10.0214 10.0214 10.9190 10.9190 12.3826 12.3826 k = 0.2425 0.9526-0.0000 ( 4020 PWs) bands (ev): -2.3170 -2.3170 -2.0418 -2.0418 2.5119 2.5119 2.6473 2.6473 5.7719 5.7719 6.1289 6.1289 6.3432 6.3432 6.6364 6.6364 8.0787 8.0787 8.7062 8.7062 9.2276 9.2276 9.5123 9.5123 9.5599 9.5599 10.1077 10.1077 10.9313 10.9313 12.3618 12.3618 k = 0.2485 0.9758-0.0000 ( 4020 PWs) bands (ev): -2.2120 -2.2120 -2.1484 -2.1484 2.5425 2.5425 2.6100 2.6100 5.8603 5.8603 6.1903 6.1903 6.2782 6.2782 6.5369 6.5369 8.0491 8.0491 8.7611 8.7611 9.2463 9.2463 9.4352 9.4352 9.5375 9.5375 10.1936 10.1936 10.9381 10.9381 12.3414 12.3414 k = 0.2544 0.9990-0.0000 ( 4022 PWs) bands (ev): -2.2536 -2.2536 -2.1055 -2.1055 2.4404 2.4404 2.7103 2.7103 5.9474 5.9474 6.2141 6.2141 6.2526 6.2526 6.4366 6.4366 8.0215 8.0215 8.8190 8.8190 9.2681 9.2681 9.3588 9.3588 9.5185 9.5185 10.2779 10.2779 10.9395 10.9395 12.3219 12.3219 k = 0.2603 1.0223-0.0000 ( 4024 PWs) bands (ev): -2.3572 -2.3572 -1.9976 -1.9976 2.3407 2.3407 2.8130 2.8130 6.0324 6.0324 6.1511 6.1511 6.3147 6.3147 6.3369 6.3369 7.9956 7.9956 8.8797 8.8797 9.2814 9.2814 9.2955 9.2955 9.5031 9.5031 10.3592 10.3592 10.9358 10.9358 12.3038 12.3038 k = 0.2662 1.0455-0.0000 ( 4024 PWs) bands (ev): -2.4591 -2.4591 -1.8885 -1.8885 2.2438 2.2438 2.9178 2.9178 6.0860 6.0860 6.1177 6.1177 6.2353 6.2353 6.3800 6.3800 7.9713 7.9713 8.9431 8.9431 9.2116 9.2116 9.3206 9.3206 9.4913 9.4913 10.4359 10.4359 10.9269 10.9269 12.2874 12.2874 k = 0.2662 1.0455-0.0000 ( 4024 PWs) bands (ev): -2.4591 -2.4591 -1.8885 -1.8885 2.2438 2.2438 2.9178 2.9178 6.0860 6.0860 6.1177 6.1177 6.2353 6.2353 6.3800 6.3800 7.9713 7.9713 8.9431 8.9431 9.2116 9.2116 9.3206 9.3206 9.4913 9.4913 10.4359 10.4359 10.9269 10.9269 12.2874 12.2874 k = 0.2440 1.0455-0.0000 ( 4027 PWs) bands (ev): -2.4360 -2.4360 -1.9134 -1.9134 2.2662 2.2662 2.8932 2.8932 6.0865 6.0865 6.1059 6.1059 6.2656 6.2656 6.3656 6.3656 7.9750 7.9750 8.9246 8.9246 9.2346 9.2346 9.3152 9.3152 9.4924 9.4924 10.4156 10.4156 10.9311 10.9311 12.2929 12.2929 k = 0.2218 1.0455-0.0000 ( 4026 PWs) bands (ev): -2.4130 -2.4130 -1.9383 -1.9383 2.2897 2.2897 2.8676 2.8676 6.0594 6.0594 6.1166 6.1166 6.3020 6.3020 6.3520 6.3520 7.9751 7.9751 8.9016 8.9016 9.2689 9.2689 9.3124 9.3124 9.4914 9.4914 10.3887 10.3887 10.9381 10.9381 12.3023 12.3023 k = 0.1997 1.0455-0.0000 ( 4024 PWs) bands (ev): -2.3899 -2.3899 -1.9630 -1.9630 2.3144 2.3144 2.8412 2.8412 6.0306 6.0306 6.1292 6.1292 6.3344 6.3344 6.3434 6.3434 7.9717 7.9717 8.8775 8.8775 9.3040 9.3040 9.3191 9.3191 9.4881 9.4881 10.3560 10.3560 10.9473 10.9473 12.3155 12.3155 k = 0.1775 1.0455-0.0000 ( 4025 PWs) bands (ev): -2.3668 -2.3668 -1.9877 -1.9877 2.3401 2.3401 2.8140 2.8140 6.0039 6.0039 6.1416 6.1416 6.3252 6.3252 6.3758 6.3758 7.9650 7.9650 8.8546 8.8546 9.3092 9.3092 9.3637 9.3637 9.4830 9.4830 10.3182 10.3182 10.9579 10.9579 12.3319 12.3319 k = 0.1553 1.0455-0.0000 ( 4029 PWs) bands (ev): -2.3436 -2.3436 -2.0121 -2.0121 2.3668 2.3668 2.7859 2.7859 5.9798 5.9798 6.1537 6.1537 6.3132 6.3132 6.4093 6.4093 7.9556 7.9556 8.8343 8.8343 9.3120 9.3120 9.4166 9.4166 9.4763 9.4763 10.2760 10.2760 10.9692 10.9692 12.3511 12.3511 k = 0.1331 1.0455-0.0000 ( 4029 PWs) bands (ev): -2.3205 -2.3205 -2.0365 -2.0365 2.3944 2.3944 2.7571 2.7571 5.9589 5.9589 6.1653 6.1653 6.3016 6.3016 6.4401 6.4401 7.9443 7.9443 8.8169 8.8169 9.3162 9.3162 9.4635 9.4635 9.4777 9.4777 10.2301 10.2301 10.9806 10.9806 12.3723 12.3723 k = 0.1109 1.0455-0.0000 ( 4029 PWs) bands (ev): -2.2973 -2.2973 -2.0607 -2.0607 2.4228 2.4228 2.7277 2.7277 5.9411 5.9411 6.1765 6.1765 6.2904 6.2904 6.4676 6.4676 7.9320 7.9320 8.8028 8.8028 9.3218 9.3218 9.4572 9.4572 9.5333 9.5333 10.1812 10.1812 10.9913 10.9913 12.3945 12.3945 k = 0.0887 1.0455-0.0000 ( 4027 PWs) bands (ev): -2.2740 -2.2740 -2.0848 -2.0848 2.4518 2.4518 2.6978 2.6978 5.9265 5.9265 6.1873 6.1873 6.2797 6.2797 6.4910 6.4910 7.9199 7.9199 8.7917 8.7917 9.3285 9.3285 9.4473 9.4473 9.5926 9.5926 10.1303 10.1303 11.0009 11.0009 12.4165 12.4165 k = 0.0666 1.0455-0.0000 ( 4027 PWs) bands (ev): -2.2507 -2.2507 -2.1088 -2.1088 2.4815 2.4815 2.6675 2.6675 5.9152 5.9152 6.1974 6.1974 6.2697 6.2697 6.5100 6.5100 7.9091 7.9091 8.7834 8.7834 9.3357 9.3357 9.4373 9.4373 9.6513 9.6513 10.0786 10.0786 11.0089 11.0089 12.4367 12.4367 k = 0.0444 1.0455-0.0000 ( 4037 PWs) bands (ev): -2.2274 -2.2274 -2.1327 -2.1327 2.5114 2.5114 2.6371 2.6371 5.9071 5.9071 6.2066 6.2066 6.2605 6.2605 6.5239 6.5239 7.9006 7.9006 8.7778 8.7778 9.3426 9.3426 9.4283 9.4283 9.7063 9.7063 10.0287 10.0287 11.0149 11.0149 12.4532 12.4532 k = 0.0222 1.0455-0.0000 ( 4032 PWs) bands (ev): -2.2040 -2.2040 -2.1563 -2.1563 2.5409 2.5409 2.6073 2.6073 5.9022 5.9022 6.2139 6.2139 6.2532 6.2532 6.5324 6.5324 7.8951 7.8951 8.7745 8.7745 9.3480 9.3480 9.4216 9.4216 9.7509 9.7509 9.9872 9.9872 11.0186 11.0186 12.4642 12.4642 k = 0.0000 1.0455-0.0000 ( 4034 PWs) bands (ev): -2.1834 -2.1834 -2.1770 -2.1770 2.5621 2.5621 2.5860 2.5860 5.9006 5.9006 6.2170 6.2170 6.2501 6.2501 6.5353 6.5353 7.8932 7.8932 8.7734 8.7734 9.3501 9.3501 9.4191 9.4191 9.7701 9.7701 9.9691 9.9691 11.0198 11.0198 12.4681 12.4681 k = 0.0000 1.0455-0.0000 ( 4034 PWs) bands (ev): -2.1834 -2.1834 -2.1770 -2.1770 2.5621 2.5621 2.5860 2.5860 5.9006 5.9006 6.2170 6.2170 6.2501 6.2501 6.5353 6.5353 7.8932 7.8932 8.7734 8.7734 9.3501 9.3501 9.4191 9.4191 9.7701 9.7701 9.9691 9.9691 11.0198 11.0198 12.4681 12.4681 k = 0.0000 1.0455 0.0239 ( 4036 PWs) bands (ev): -2.1821 -2.1821 -2.1757 -2.1757 2.5623 2.5623 2.5861 2.5861 5.8992 5.8992 6.2046 6.2046 6.2402 6.2402 6.5359 6.5359 7.8996 7.8996 8.7838 8.7838 9.3445 9.3445 9.3948 9.3948 9.7989 9.7989 9.9805 9.9805 11.0186 11.0186 12.4670 12.4670 k = 0.0000 1.0455 0.0478 ( 4036 PWs) bands (ev): -2.1783 -2.1783 -2.1719 -2.1719 2.5629 2.5629 2.5862 2.5862 5.8946 5.8946 6.1686 6.1686 6.2115 6.2115 6.5371 6.5371 7.9182 7.9182 8.8142 8.8142 9.3247 9.3247 9.3423 9.3423 9.8695 9.8695 10.0134 10.0134 11.0150 11.0150 12.4639 12.4639 k = 0.0000 1.0455 0.0717 ( 4036 PWs) bands (ev): -2.1719 -2.1719 -2.1655 -2.1655 2.5640 2.5640 2.5864 2.5864 5.8857 5.8857 6.1118 6.1118 6.1670 6.1670 6.5379 6.5379 7.9473 7.9473 8.8613 8.8613 9.2642 9.2642 9.3124 9.3124 9.9608 9.9608 10.0650 10.0650 11.0091 11.0091 12.4595 12.4595 k = 0.0000 1.0455 0.0955 ( 4034 PWs) bands (ev): -2.1630 -2.1630 -2.1566 -2.1566 2.5652 2.5652 2.5865 2.5865 5.8699 5.8699 6.0380 6.0380 6.1120 6.1120 6.5372 6.5372 7.9847 7.9847 8.9188 8.9188 9.1982 9.1982 9.2868 9.2868 10.0629 10.0629 10.1321 10.1321 11.0012 11.0012 12.4545 12.4545 k = 0.0000 1.0455 0.1194 ( 4036 PWs) bands (ev): -2.1515 -2.1515 -2.1451 -2.1451 2.5666 2.5666 2.5864 2.5864 5.8418 5.8418 5.9504 5.9504 6.0548 6.0548 6.5345 6.5345 8.0283 8.0283 8.9680 8.9680 9.1534 9.1534 9.2603 9.2603 10.1711 10.1711 10.2116 10.2116 10.9917 10.9917 12.4496 12.4496 k = 0.0000 1.0455 0.1433 ( 4030 PWs) bands (ev): -2.1375 -2.1375 -2.1311 -2.1311 2.5678 2.5678 2.5860 2.5860 5.7936 5.7936 5.8523 5.8523 6.0062 6.0062 6.5294 6.5294 8.0759 8.0759 8.9664 8.9664 9.1693 9.1693 9.2367 9.2367 10.2823 10.2823 10.3020 10.3020 10.9813 10.9813 12.4455 12.4455 k = 0.0000 1.0455 0.1672 ( 4030 PWs) bands (ev): -2.1209 -2.1209 -2.1145 -2.1145 2.5685 2.5685 2.5852 2.5852 5.7221 5.7221 5.7465 5.7465 5.9717 5.9717 6.5216 6.5216 8.1261 8.1261 8.9201 8.9201 9.1951 9.1951 9.2600 9.2600 10.3894 10.3894 10.4055 10.4055 10.9713 10.9713 12.4428 12.4428 k = 0.0000 1.0455 0.1911 ( 4028 PWs) bands (ev): -2.1018 -2.1018 -2.0954 -2.0954 2.5684 2.5684 2.5837 2.5837 5.6306 5.6306 5.6375 5.6375 5.9482 5.9482 6.5111 6.5111 8.1777 8.1777 8.8638 8.8638 9.1751 9.1751 9.3501 9.3501 10.4918 10.4918 10.5176 10.5176 10.9641 10.9641 12.4418 12.4418 k = 0.0000 1.0455 0.2150 ( 4026 PWs) bands (ev): -2.0802 -2.0802 -2.0738 -2.0738 2.5670 2.5670 2.5813 2.5813 5.5188 5.5188 5.5348 5.5348 5.9304 5.9304 6.4975 6.4975 8.2301 8.2301 8.8086 8.8086 9.1530 9.1530 9.4515 9.4515 10.5944 10.5944 10.6247 10.6247 10.9658 10.9658 12.4430 12.4430 k = 0.0000 1.0455 0.2388 ( 4034 PWs) bands (ev): -2.0561 -2.0561 -2.0496 -2.0496 2.5636 2.5636 2.5779 2.5779 5.4027 5.4027 5.4295 5.4295 5.9149 5.9149 6.4807 6.4807 8.2828 8.2828 8.7578 8.7578 9.1326 9.1326 9.5560 9.5560 10.6957 10.6957 10.7119 10.7119 10.9897 10.9897 12.4462 12.4462 k = 0.0000 1.0455 0.2627 ( 4034 PWs) bands (ev): -2.0294 -2.0294 -2.0230 -2.0230 2.5578 2.5578 2.5730 2.5730 5.2864 5.2864 5.3221 5.3221 5.8999 5.8999 6.4603 6.4603 8.3356 8.3356 8.7127 8.7127 9.1146 9.1146 9.6610 9.6610 10.7580 10.7580 10.7962 10.7962 11.0537 11.0537 12.4510 12.4510 k = 0.0000 1.0455 0.2866 ( 4026 PWs) bands (ev): -2.0002 -2.0002 -1.9938 -1.9938 2.5490 2.5490 2.5661 2.5661 5.1716 5.1716 5.2148 5.2148 5.8845 5.8845 6.4363 6.4363 8.3886 8.3886 8.6743 8.6743 9.0995 9.0995 9.7647 9.7647 10.7704 10.7704 10.8894 10.8894 11.1536 11.1536 12.4567 12.4567 k = 0.0000 1.0455 0.3105 ( 4024 PWs) bands (ev): -1.9686 -1.9686 -1.9621 -1.9621 2.5367 2.5367 2.5565 2.5565 5.0597 5.0597 5.1091 5.1091 5.8681 5.8681 6.4084 6.4084 8.4416 8.4416 8.6429 8.6429 9.0875 9.0875 9.8662 9.8662 10.7643 10.7643 10.9753 10.9753 11.2712 11.2712 12.4618 12.4618 k = 0.0000 1.0455 0.3344 ( 4020 PWs) bands (ev): -1.9344 -1.9344 -1.9279 -1.9279 2.5204 2.5204 2.5433 2.5433 4.9520 4.9520 5.0066 5.0066 5.8504 5.8504 6.3767 6.3767 8.4948 8.4948 8.6191 8.6191 9.0788 9.0788 9.9647 9.9647 10.7502 10.7502 11.0522 11.0522 11.3946 11.3946 12.4648 12.4648 k = 0.0000 1.0455 0.3583 ( 4018 PWs) bands (ev): -1.8978 -1.8978 -1.8913 -1.8913 2.4996 2.4996 2.5258 2.5258 4.8496 4.8496 4.9086 4.9086 5.8312 5.8312 6.3410 6.3410 8.5473 8.5473 8.6038 8.6038 9.0735 9.0735 10.0597 10.0597 10.7326 10.7326 11.1190 11.1190 11.5178 11.5178 12.4641 12.4641 k = 0.0000 1.0455 0.3821 ( 4024 PWs) bands (ev): -1.8587 -1.8587 -1.8522 -1.8522 2.4737 2.4737 2.5031 2.5031 4.7538 4.7538 4.8161 4.8161 5.8102 5.8102 6.3016 6.3016 8.5835 8.5835 8.6128 8.6128 9.0718 9.0718 10.1511 10.1511 10.7136 10.7136 11.1754 11.1754 11.6368 11.6368 12.4584 12.4584 k = 0.0000 1.0455 0.4060 ( 4024 PWs) bands (ev): -1.8171 -1.8171 -1.8106 -1.8106 2.4420 2.4420 2.4744 2.4744 4.6656 4.6656 4.7301 4.7301 5.7876 5.7876 6.2586 6.2586 8.5864 8.5864 8.6632 8.6632 9.0737 9.0737 10.2384 10.2384 10.6944 10.6944 11.2217 11.2217 11.7482 11.7482 12.4471 12.4471 k = 0.0000 1.0455 0.4299 ( 4022 PWs) bands (ev): -1.7731 -1.7731 -1.7666 -1.7666 2.4042 2.4042 2.4389 2.4389 4.5859 4.5859 4.6516 4.6516 5.7630 5.7630 6.2122 6.2122 8.5917 8.5917 8.7190 8.7190 9.0792 9.0792 10.3214 10.3214 10.6761 10.6761 11.2589 11.2589 11.8493 11.8493 12.4301 12.4301 k = 0.0000 1.0455 0.4538 ( 4028 PWs) bands (ev): -1.7267 -1.7267 -1.7201 -1.7201 2.3597 2.3597 2.3962 2.3962 4.5154 4.5154 4.5811 4.5811 5.7367 5.7367 6.1628 6.1628 8.6029 8.6029 8.7763 8.7763 9.0885 9.0885 10.3996 10.3996 10.6597 10.6597 11.2881 11.2881 11.9380 11.9380 12.4077 12.4077 k = 0.0000 1.0455 0.4777 ( 4024 PWs) bands (ev): -1.6778 -1.6778 -1.6712 -1.6712 2.3083 2.3083 2.3459 2.3459 4.4545 4.4545 4.5193 4.5193 5.7085 5.7085 6.1107 6.1107 8.6202 8.6202 8.8347 8.8347 9.1014 9.1014 10.4711 10.4711 10.6475 10.6475 11.3105 11.3105 12.0128 12.0128 12.3806 12.3806 k = 0.0000 1.0455 0.5016 ( 4024 PWs) bands (ev): -1.6266 -1.6266 -1.6200 -1.6200 2.2499 2.2499 2.2878 2.2878 4.4036 4.4036 4.4663 4.4663 5.6786 5.6786 6.0562 6.0562 8.6429 8.6429 8.8943 8.8943 9.1180 9.1180 10.5294 10.5294 10.6464 10.6464 11.3275 11.3275 12.0732 12.0732 12.3495 12.3495 k = 0.0000 1.0455 0.5254 ( 4024 PWs) bands (ev): -1.5730 -1.5730 -1.5663 -1.5663 2.1846 2.1846 2.2221 2.2221 4.3625 4.3625 4.4222 4.4222 5.6470 5.6470 5.9998 5.9998 8.6708 8.6708 8.9547 8.9547 9.1380 9.1380 10.5588 10.5588 10.6723 10.6723 11.3400 11.3400 12.1197 12.1197 12.3155 12.3155 k = 0.0000 1.0455 0.5493 ( 4036 PWs) bands (ev): -1.5170 -1.5170 -1.5103 -1.5103 2.1127 2.1127 2.1491 2.1491 4.3310 4.3310 4.3869 4.3869 5.6137 5.6137 5.9418 5.9418 8.7032 8.7032 9.0156 9.0156 9.1617 9.1617 10.5614 10.5614 10.7236 10.7236 11.3490 11.3490 12.1530 12.1530 12.2797 12.2797 k = 0.0000 1.0455 0.5732 ( 4028 PWs) bands (ev): -1.4587 -1.4587 -1.4520 -1.4520 2.0347 2.0347 2.0695 2.0695 4.3083 4.3083 4.3599 4.3599 5.5790 5.5790 5.8826 5.8826 8.7397 8.7397 9.0766 9.0766 9.1891 9.1891 10.5550 10.5550 10.7826 10.7826 11.3552 11.3552 12.1733 12.1733 12.2440 12.2440 k = 0.0000 1.0455 0.5971 ( 4024 PWs) bands (ev): -1.3981 -1.3981 -1.3914 -1.3914 1.9511 1.9511 1.9839 1.9839 4.2940 4.2940 4.3409 4.3409 5.5429 5.5429 5.8224 5.8224 8.7796 8.7796 9.1365 9.1365 9.2210 9.2210 10.5466 10.5466 10.8422 10.8422 11.3592 11.3592 12.1778 12.1778 12.2136 12.2136 k = 0.0000 1.0455 0.6210 ( 4026 PWs) bands (ev): -1.3352 -1.3352 -1.3285 -1.3285 1.8626 1.8626 1.8931 1.8931 4.2871 4.2871 4.3291 4.3291 5.5056 5.5056 5.7616 5.7616 8.8224 8.8224 9.1929 9.1929 9.2592 9.2592 10.5383 10.5383 10.9006 10.9006 11.3615 11.3615 12.1572 12.1572 12.2000 12.2000 k = 0.0000 1.0455 0.6449 ( 4028 PWs) bands (ev): -1.2701 -1.2701 -1.2633 -1.2633 1.7700 1.7700 1.7980 1.7980 4.2868 4.2868 4.3241 4.3241 5.4671 5.4671 5.7005 5.7005 8.8676 8.8676 9.2425 9.2425 9.3063 9.3063 10.5305 10.5305 10.9570 10.9570 11.3623 11.3623 12.1260 12.1260 12.1911 12.1911 k = 0.0000 1.0455 0.6687 ( 4022 PWs) bands (ev): -1.2028 -1.2028 -1.1960 -1.1960 1.6738 1.6738 1.6994 1.6994 4.2924 4.2924 4.3252 4.3252 5.4277 5.4277 5.6393 5.6393 8.9146 8.9146 9.2852 9.2852 9.3618 9.3618 10.5234 10.5234 11.0112 11.0112 11.3617 11.3617 12.0957 12.0957 12.1780 12.1780 k = 0.0000 1.0455 0.6926 ( 4024 PWs) bands (ev): -1.1333 -1.1333 -1.1265 -1.1265 1.5747 1.5747 1.5979 1.5979 4.3030 4.3030 4.3318 4.3318 5.3875 5.3875 5.5783 5.5783 8.9630 8.9630 9.3241 9.3241 9.4219 9.4219 10.5167 10.5167 11.0629 11.0629 11.3599 11.3599 12.0690 12.0690 12.1605 12.1605 k = 0.0000 1.0455 0.7165 ( 4028 PWs) bands (ev): -1.0617 -1.0617 -1.0549 -1.0549 1.4735 1.4735 1.4944 1.4944 4.3179 4.3179 4.3435 4.3435 5.3466 5.3466 5.5176 5.5176 9.0122 9.0122 9.3611 9.3611 9.4836 9.4836 10.5102 10.5102 11.1117 11.1117 11.3568 11.3568 12.0472 12.0472 12.1403 12.1403 k = 0.0000 1.0455 0.7404 ( 4024 PWs) bands (ev): -0.9880 -0.9880 -0.9813 -0.9813 1.3707 1.3707 1.3893 1.3893 4.3365 4.3365 4.3596 4.3596 5.3052 5.3052 5.4575 5.4575 9.0617 9.0617 9.3968 9.3968 9.5457 9.5457 10.5032 10.5033 11.1571 11.1571 11.3526 11.3526 12.0314 12.0314 12.1193 12.1193 k = 0.0000 1.0455 0.7643 ( 4022 PWs) bands (ev): -0.9124 -0.9124 -0.9057 -0.9057 1.2668 1.2668 1.2834 1.2834 4.3582 4.3582 4.3796 4.3796 5.2634 5.2634 5.3981 5.3981 9.1111 9.1111 9.4309 9.4309 9.6073 9.6073 10.4955 10.4955 11.1983 11.1983 11.3475 11.3475 12.0221 12.0221 12.0998 12.0998 k = 0.0000 1.0455 0.7882 ( 4024 PWs) bands (ev): -0.8349 -0.8349 -0.8283 -0.8283 1.1624 1.1624 1.1771 1.1771 4.3826 4.3826 4.4031 4.4031 5.2214 5.2214 5.3397 5.3397 9.1600 9.1600 9.4629 9.4629 9.6682 9.6682 10.4862 10.4862 11.2345 11.2345 11.3417 11.3417 12.0199 12.0199 12.0841 12.0841 k = 0.0000 1.0455 0.8120 ( 4026 PWs) bands (ev): -0.7557 -0.7557 -0.7491 -0.7491 1.0579 1.0579 1.0709 1.0709 4.4094 4.4094 4.4295 4.4295 5.1793 5.1793 5.2824 5.2824 9.2079 9.2079 9.4921 9.4921 9.7281 9.7281 10.4749 10.4749 11.2645 11.2645 11.3360 11.3360 12.0246 12.0246 12.0745 12.0745 k = 0.0000 1.0455 0.8359 ( 4024 PWs) bands (ev): -0.6749 -0.6749 -0.6684 -0.6684 0.9538 0.9538 0.9652 0.9652 4.4382 4.4382 4.4582 4.4582 5.1374 5.1374 5.2264 5.2264 9.2544 9.2544 9.5177 9.5177 9.7870 9.7870 10.4609 10.4609 11.2868 11.2868 11.3313 11.3313 12.0358 12.0358 12.0727 12.0727 k = 0.0000 1.0455 0.8598 ( 4022 PWs) bands (ev): -0.5929 -0.5929 -0.5865 -0.5865 0.8506 0.8506 0.8608 0.8608 4.4688 4.4688 4.4888 4.4888 5.0959 5.0959 5.1720 5.1720 9.2993 9.2993 9.5389 9.5389 9.8448 9.8448 10.4437 10.4437 11.2997 11.2997 11.3296 11.3296 12.0529 12.0529 12.0799 12.0799 k = 0.0000 1.0455 0.8837 ( 4022 PWs) bands (ev): -0.5100 -0.5100 -0.5037 -0.5037 0.7491 0.7491 0.7580 0.7580 4.5008 4.5008 4.5206 4.5206 5.0551 5.0551 5.1193 5.1193 9.3420 9.3420 9.5551 9.5551 9.9016 9.9016 10.4227 10.4227 11.3033 11.3033 11.3313 11.3313 12.0749 12.0749 12.0958 12.0958 k = 0.0000 1.0455 0.9076 ( 4014 PWs) bands (ev): -0.4268 -0.4268 -0.4208 -0.4208 0.6499 0.6499 0.6579 0.6579 4.5336 4.5336 4.5530 4.5530 5.0155 5.0155 5.0690 5.0690 9.3823 9.3823 9.5659 9.5659 9.9572 9.9572 10.3977 10.3977 11.3027 11.3027 11.3326 11.3326 12.1008 12.1008 12.1183 12.1183 k = 0.0000 1.0455 0.9315 ( 4008 PWs) bands (ev): -0.3445 -0.3445 -0.3388 -0.3388 0.5545 0.5545 0.5615 0.5615 4.5667 4.5667 4.5850 4.5850 4.9780 4.9780 5.0214 5.0214 9.4198 9.4198 9.5709 9.5709 10.0117 10.0117 10.3686 10.3686 11.3018 11.3018 11.3312 11.3312 12.1290 12.1290 12.1442 12.1442 k = 0.0000 1.0455 0.9553 ( 4010 PWs) bands (ev): -0.2653 -0.2653 -0.2601 -0.2601 0.4652 0.4652 0.4712 0.4712 4.5988 4.5988 4.6153 4.6153 4.9439 4.9439 4.9778 4.9778 9.4541 9.4541 9.5701 9.5701 10.0648 10.0648 10.3353 10.3353 11.3019 11.3019 11.3274 11.3274 12.1570 12.1570 12.1700 12.1700 k = 0.0000 1.0455 0.9792 ( 4004 PWs) bands (ev): -0.1935 -0.1935 -0.1891 -0.1891 0.3867 0.3867 0.3915 0.3915 4.6280 4.6280 4.6413 4.6413 4.9157 4.9157 4.9399 4.9399 9.4848 9.4848 9.5634 9.5634 10.1163 10.1163 10.2980 10.2980 11.3035 11.3035 11.3221 11.3221 12.1816 12.1816 12.1916 12.1916 k = 0.0000 1.0455 1.0031 ( 4000 PWs) bands (ev): -0.1384 -0.1384 -0.1357 -0.1357 0.3286 0.3286 0.3315 0.3315 4.6508 4.6508 4.6586 4.6586 4.8980 4.8980 4.9110 4.9110 9.5115 9.5115 9.5512 9.5512 10.1658 10.1658 10.2571 10.2571 11.3066 11.3066 11.3164 11.3164 12.1996 12.1996 12.2051 12.2051 k = 0.0000 1.0455 1.0270 ( 3996 PWs) bands (ev): -0.1155 -0.1155 -0.1155 -0.1155 0.3070 0.3070 0.3070 0.3070 4.6623 4.6623 4.6623 4.6623 4.8959 4.8959 4.8959 4.8959 9.5338 9.5338 9.5338 9.5338 10.2128 10.2128 10.2128 10.2128 11.3110 11.3110 11.3110 11.3110 12.2079 12.2079 12.2079 12.2079 k = 0.0000 1.0455 1.0270 ( 3996 PWs) bands (ev): -0.1155 -0.1155 -0.1155 -0.1155 0.3070 0.3070 0.3070 0.3070 4.6623 4.6623 4.6623 4.6623 4.8959 4.8959 4.8959 4.8959 9.5338 9.5338 9.5338 9.5338 10.2128 10.2128 10.2128 10.2128 11.3110 11.3110 11.3110 11.3110 12.2079 12.2079 12.2079 12.2079 k = 0.0222 1.0455 1.0270 ( 3994 PWs) bands (ev): -0.1170 -0.1170 -0.1164 -0.1164 0.3080 0.3080 0.3085 0.3085 4.6611 4.6611 4.6628 4.6628 4.8956 4.8956 4.8965 4.8965 9.5345 9.5345 9.5350 9.5350 10.2126 10.2126 10.2162 10.2162 11.3036 11.3036 11.3072 11.3072 12.2095 12.2095 12.2120 12.2120 k = 0.0444 1.0455 1.0270 ( 4006 PWs) bands (ev): -0.1207 -0.1207 -0.1197 -0.1197 0.3116 0.3116 0.3126 0.3126 4.6593 4.6593 4.6626 4.6626 4.8957 4.8957 4.8976 4.8976 9.5373 9.5373 9.5383 9.5383 10.2155 10.2155 10.2229 10.2229 11.2853 11.2853 11.2926 11.2926 12.2165 12.2165 12.2215 12.2215 k = 0.0666 1.0455 1.0270 ( 4010 PWs) bands (ev): -0.1266 -0.1266 -0.1251 -0.1251 0.3175 0.3175 0.3190 0.3190 4.6568 4.6568 4.6618 4.6618 4.8962 4.8962 4.8991 4.8991 9.5420 9.5420 9.5434 9.5434 10.2214 10.2214 10.2327 10.2327 11.2571 11.2571 11.2683 11.2683 12.2280 12.2280 12.2354 12.2354 k = 0.0887 1.0455 1.0270 ( 4014 PWs) bands (ev): -0.1346 -0.1346 -0.1325 -0.1325 0.3257 0.3257 0.3276 0.3276 4.6537 4.6537 4.6603 4.6603 4.8972 4.8972 4.9010 4.9010 9.5485 9.5485 9.5503 9.5503 10.2301 10.2301 10.2455 10.2455 11.2205 11.2205 11.2358 11.2358 12.2429 12.2429 12.2525 12.2525 k = 0.1109 1.0455 1.0270 ( 4018 PWs) bands (ev): -0.1442 -0.1442 -0.1418 -0.1418 0.3359 0.3359 0.3381 0.3381 4.6500 4.6500 4.6581 4.6581 4.8987 4.8987 4.9034 4.9034 9.5568 9.5568 9.5587 9.5587 10.2412 10.2412 10.2612 10.2612 11.1773 11.1773 11.1970 11.1970 12.2597 12.2597 12.2714 12.2714 k = 0.1331 1.0455 1.0270 ( 4016 PWs) bands (ev): -0.1554 -0.1554 -0.1526 -0.1526 0.3478 0.3478 0.3503 0.3503 4.6457 4.6457 4.6553 4.6553 4.9007 4.9007 4.9062 4.9062 9.5664 9.5664 9.5685 9.5685 10.2542 10.2542 10.2792 10.2792 11.1295 11.1295 11.1539 11.1539 12.2773 12.2773 12.2908 12.2908 k = 0.1553 1.0455 1.0270 ( 4016 PWs) bands (ev): -0.1679 -0.1679 -0.1648 -0.1648 0.3613 0.3613 0.3641 0.3641 4.6409 4.6409 4.6518 4.6518 4.9032 4.9032 4.9096 4.9096 9.5774 9.5774 9.5794 9.5794 10.2685 10.2685 10.2990 10.2990 11.0789 11.0789 11.1085 11.1085 12.2945 12.2945 12.3096 12.3096 k = 0.1775 1.0455 1.0270 ( 4026 PWs) bands (ev): -0.1816 -0.1816 -0.1782 -0.1782 0.3761 0.3761 0.3791 0.3791 4.6356 4.6356 4.6477 4.6477 4.9064 4.9064 4.9136 4.9136 9.5892 9.5892 9.5911 9.5911 10.2830 10.2830 10.3194 10.3194 11.0278 11.0278 11.0629 11.0629 12.3103 12.3103 12.3266 12.3266 k = 0.1997 1.0455 1.0270 ( 4028 PWs) bands (ev): -0.1961 -0.1961 -0.1924 -0.1924 0.3920 0.3920 0.3951 0.3951 4.6298 4.6298 4.6430 4.6430 4.9102 4.9102 4.9181 4.9181 9.6018 9.6018 9.6034 9.6034 10.2963 10.2963 10.3389 10.3389 10.9788 10.9788 11.0196 11.0196 12.3238 12.3238 12.3409 12.3409 k = 0.2218 1.0455 1.0270 ( 4034 PWs) bands (ev): -0.2114 -0.2114 -0.2075 -0.2075 0.4088 0.4088 0.4121 0.4121 4.6236 4.6236 4.6378 4.6378 4.9147 4.9147 4.9233 4.9233 9.6145 9.6145 9.6159 9.6159 10.3066 10.3066 10.3552 10.3552 10.9350 10.9350 10.9813 10.9813 12.3343 12.3343 12.3519 12.3519 k = 0.2440 1.0455 1.0270 ( 4026 PWs) bands (ev): -0.2273 -0.2273 -0.2232 -0.2232 0.4265 0.4265 0.4299 0.4299 4.6171 4.6171 4.6322 4.6322 4.9198 4.9198 4.9291 4.9291 9.6272 9.6272 9.6283 9.6283 10.3119 10.3119 10.3650 10.3650 10.9003 10.9003 10.9507 10.9507 12.3412 12.3412 12.3588 12.3588 k = 0.2662 1.0455 1.0270 ( 4030 PWs) bands (ev): -0.2437 -0.2437 -0.2394 -0.2394 0.4448 0.4448 0.4482 0.4482 4.6104 4.6104 4.6261 4.6261 4.9257 4.9257 4.9356 4.9356 9.6393 9.6393 9.6402 9.6402 10.3101 10.3101 10.3652 10.3652 10.8786 10.8786 10.9306 10.9306 12.3441 12.3441 12.3612 12.3612 k = 0.2662 1.0455 1.0270 ( 4030 PWs) bands (ev): -0.2437 -0.2437 -0.2394 -0.2394 0.4448 0.4448 0.4482 0.4482 4.6104 4.6104 4.6261 4.6261 4.9257 4.9257 4.9356 4.9356 9.6393 9.6393 9.6402 9.6402 10.3101 10.3101 10.3652 10.3652 10.8786 10.8786 10.9306 10.9306 12.3441 12.3441 12.3612 12.3612 k = 0.2603 1.0223 1.0270 ( 4022 PWs) bands (ev): -0.1765 -0.1765 -0.1732 -0.1732 0.3707 0.3707 0.3737 0.3737 4.6378 4.6378 4.6496 4.6496 4.9035 4.9035 4.9096 4.9096 9.5872 9.5872 9.5884 9.5884 10.3337 10.3337 10.3881 10.3881 10.9376 10.9376 10.9895 10.9895 12.3405 12.3405 12.3612 12.3612 k = 0.2544 0.9990 1.0270 ( 4022 PWs) bands (ev): -0.1288 -0.1288 -0.1273 -0.1273 0.3200 0.3200 0.3217 0.3217 4.6567 4.6567 4.6621 4.6621 4.8945 4.8945 4.8946 4.8946 9.5329 9.5329 9.5342 9.5342 10.3536 10.3536 10.4077 10.4077 10.9883 10.9883 11.0396 11.0396 12.3368 12.3368 12.3618 12.3618 k = 0.2485 0.9758 1.0270 ( 4008 PWs) bands (ev): -0.1173 -0.1173 -0.1162 -0.1162 0.3081 0.3081 0.3082 0.3082 4.6602 4.6602 4.6625 4.6625 4.8948 4.8948 4.9021 4.9021 9.4772 9.4772 9.4784 9.4784 10.3700 10.3700 10.4243 10.4243 11.0273 11.0273 11.0779 11.0779 12.3350 12.3350 12.3642 12.3642 k = 0.2425 0.9526 1.0270 ( 4012 PWs) bands (ev): -0.1482 -0.1482 -0.1449 -0.1449 0.3388 0.3388 0.3406 0.3406 4.6457 4.6457 4.6542 4.6542 4.9113 4.9113 4.9246 4.9246 9.4208 9.4208 9.4218 9.4218 10.3824 10.3824 10.4376 10.4376 11.0525 11.0525 11.1025 11.1025 12.3375 12.3375 12.3704 12.3704 k = 0.2366 0.9293 1.0270 ( 4008 PWs) bands (ev): -0.2070 -0.2070 -0.2024 -0.2024 0.4015 0.4015 0.4041 0.4041 4.6230 4.6230 4.6357 4.6357 4.9401 4.9401 4.9572 4.9572 9.3642 9.3642 9.3649 9.3649 10.3904 10.3904 10.4472 10.4472 11.0630 11.0630 11.1131 11.1131 12.3464 12.3464 12.3819 12.3819 k = 0.2307 0.9061 1.0270 ( 4010 PWs) bands (ev): -0.2797 -0.2797 -0.2743 -0.2743 0.4817 0.4817 0.4845 0.4845 4.5963 4.5963 4.6113 4.6113 4.9768 4.9768 4.9961 4.9961 9.3080 9.3080 9.3083 9.3083 10.3933 10.3933 10.4522 10.4522 11.0598 11.0598 11.1109 11.1109 12.3629 12.3629 12.3998 12.3998 k = 0.2248 0.8829 1.0270 ( 4014 PWs) bands (ev): -0.3585 -0.3585 -0.3527 -0.3527 0.5715 0.5715 0.5741 0.5741 4.5678 4.5678 4.5842 4.5842 5.0182 5.0182 5.0387 5.0387 9.2523 9.2523 9.2525 9.2525 10.3902 10.3902 10.4516 10.4516 11.0454 11.0454 11.0982 11.0982 12.3868 12.3868 12.4239 12.4239 k = 0.2189 0.8596 1.0270 ( 4014 PWs) bands (ev): -0.4397 -0.4397 -0.4337 -0.4337 0.6668 0.6668 0.6691 0.6691 4.5388 4.5388 4.5562 4.5562 5.0625 5.0625 5.0838 5.0838 9.1974 9.1974 9.1981 9.1981 10.3802 10.3802 10.4441 10.4441 11.0234 11.0234 11.0785 11.0785 12.4174 12.4174 12.4535 12.4535 k = 0.2130 0.8364 1.0270 ( 4006 PWs) bands (ev): -0.5216 -0.5216 -0.5153 -0.5153 0.7657 0.7657 0.7675 0.7675 4.5103 4.5103 4.5282 4.5282 5.1088 5.1088 5.1305 5.1305 9.1438 9.1438 9.1450 9.1450 10.3622 10.3622 10.4283 10.4283 10.9978 10.9978 11.0553 11.0553 12.4533 12.4533 12.4877 12.4877 k = 0.2071 0.8132 1.0270 ( 4010 PWs) bands (ev): -0.6030 -0.6030 -0.5966 -0.5966 0.8670 0.8670 0.8683 0.8683 4.4827 4.4827 4.5009 4.5009 5.1562 5.1562 5.1783 5.1783 9.0919 9.0919 9.0936 9.0936 10.3355 10.3355 10.4028 10.4028 10.9726 10.9726 11.0319 11.0319 12.4931 12.4931 12.5253 12.5253 k = 0.2011 0.7899 1.0270 ( 4006 PWs) bands (ev): -0.6834 -0.6834 -0.6769 -0.6769 0.9699 0.9699 0.9706 0.9706 4.4566 4.4566 4.4747 4.4747 5.2046 5.2046 5.2268 5.2268 9.0419 9.0419 9.0440 9.0440 10.2997 10.2997 10.3671 10.3671 10.9506 10.9506 11.0108 11.0108 12.5356 12.5356 12.5653 12.5653 k = 0.1952 0.7667 1.0270 ( 3998 PWs) bands (ev): -0.7625 -0.7625 -0.7559 -0.7559 1.0739 1.0739 1.0739 1.0739 4.4321 4.4321 4.4501 4.4501 5.2534 5.2534 5.2757 5.2757 8.9940 8.9940 8.9966 8.9966 10.2553 10.2553 10.3214 10.3214 10.9335 10.9335 10.9934 10.9934 12.5798 12.5798 12.6069 12.6069 k = 0.1893 0.7435 1.0270 ( 4006 PWs) bands (ev): -0.8399 -0.8399 -0.8333 -0.8333 1.1778 1.1778 1.1785 1.1785 4.4097 4.4097 4.4274 4.4274 5.3025 5.3025 5.3249 5.3249 8.9484 8.9484 8.9514 8.9514 10.2030 10.2030 10.2669 10.2669 10.9218 10.9218 10.9805 10.9805 12.6247 12.6247 12.6493 12.6493 k = 0.1834 0.7202 1.0270 ( 4002 PWs) bands (ev): -0.9156 -0.9156 -0.9089 -0.9089 1.2817 1.2817 1.2833 1.2833 4.3897 4.3897 4.4070 4.4070 5.3516 5.3516 5.3740 5.3740 8.9053 8.9053 8.9088 8.9088 10.1443 10.1443 10.2051 10.2051 10.9149 10.9149 10.9718 10.9718 12.6697 12.6697 12.6919 12.6919 k = 0.1775 0.6970 1.0270 ( 4014 PWs) bands (ev): -0.9893 -0.9893 -0.9827 -0.9827 1.3852 1.3852 1.3877 1.3877 4.3725 4.3725 4.3891 4.3891 5.4005 5.4005 5.4229 5.4229 8.8649 8.8649 8.8688 8.8688 10.0804 10.0804 10.1381 10.1381 10.9121 10.9121 10.9669 10.9669 12.7140 12.7140 12.7341 12.7341 k = 0.1716 0.6738 1.0270 ( 4018 PWs) bands (ev): -1.0610 -1.0610 -1.0544 -1.0544 1.4879 1.4879 1.4914 1.4914 4.3585 4.3585 4.3744 4.3744 5.4490 5.4490 5.4714 5.4714 8.8274 8.8274 8.8317 8.8317 10.0128 10.0128 10.0674 10.0674 10.9123 10.9123 10.9650 10.9650 12.7569 12.7569 12.7751 12.7751 k = 0.1656 0.6505 1.0270 ( 4022 PWs) bands (ev): -1.1307 -1.1307 -1.1241 -1.1241 1.5892 1.5892 1.5937 1.5937 4.3482 4.3482 4.3631 4.3631 5.4969 5.4969 5.5193 5.5193 8.7929 8.7929 8.7975 8.7975 9.9428 9.9428 9.9944 9.9944 10.9147 10.9147 10.9655 10.9655 12.7978 12.7978 12.8143 12.8143 k = 0.1597 0.6273 1.0270 ( 4018 PWs) bands (ev): -1.1982 -1.1982 -1.1917 -1.1917 1.6886 1.6886 1.6942 1.6942 4.3420 4.3420 4.3559 4.3559 5.5439 5.5439 5.5663 5.5663 8.7616 8.7616 8.7666 8.7666 9.8714 9.8714 9.9205 9.9205 10.9185 10.9185 10.9676 10.9676 12.8358 12.8358 12.8509 12.8509 k = 0.1538 0.6041 1.0270 ( 4022 PWs) bands (ev): -1.2635 -1.2635 -1.2571 -1.2571 1.7855 1.7855 1.7923 1.7923 4.3406 4.3406 4.3532 4.3532 5.5900 5.5900 5.6123 5.6123 8.7335 8.7335 8.7388 8.7388 9.7996 9.7996 9.8464 9.8464 10.9230 10.9230 10.9706 10.9706 12.8701 12.8701 12.8840 12.8840 k = 0.1479 0.5808 1.0270 ( 4018 PWs) bands (ev): -1.3265 -1.3265 -1.3202 -1.3202 1.8792 1.8792 1.8873 1.8873 4.3445 4.3445 4.3557 4.3557 5.6349 5.6349 5.6571 5.6571 8.7086 8.7086 8.7143 8.7143 9.7280 9.7280 9.7729 9.7729 10.9277 10.9277 10.9741 10.9741 12.8996 12.8996 12.9126 12.9126 k = 0.1420 0.5576 1.0270 ( 4026 PWs) bands (ev): -1.3873 -1.3873 -1.3811 -1.3811 1.9691 1.9691 1.9785 1.9785 4.3543 4.3543 4.3640 4.3640 5.6783 5.6783 5.7005 5.7005 8.6870 8.6870 8.6932 8.6932 9.6573 9.6573 9.7006 9.7006 10.9319 10.9319 10.9773 10.9773 12.9234 12.9234 12.9355 12.9355 k = 0.1361 0.5344 1.0270 ( 4038 PWs) bands (ev): -1.4458 -1.4458 -1.4397 -1.4397 2.0545 2.0545 2.0652 2.0652 4.3707 4.3707 4.3787 4.3787 5.7202 5.7202 5.7422 5.7422 8.6687 8.6687 8.6754 8.6754 9.5879 9.5879 9.6300 9.6300 10.9351 10.9351 10.9796 10.9796 12.9402 12.9402 12.9517 12.9517 k = 0.1301 0.5111 1.0270 ( 4038 PWs) bands (ev): -1.5019 -1.5019 -1.4960 -1.4960 2.1347 2.1347 2.1467 2.1467 4.3942 4.3942 4.4006 4.4006 5.7603 5.7603 5.7821 5.7821 8.6534 8.6534 8.6607 8.6607 9.5203 9.5203 9.5616 9.5616 10.9368 10.9368 10.9805 10.9805 12.9492 12.9492 12.9601 12.9601 k = 0.1242 0.4879 1.0270 ( 4038 PWs) bands (ev): -1.5557 -1.5557 -1.5499 -1.5499 2.2091 2.2091 2.2224 2.2224 4.4255 4.4255 4.4302 4.4302 5.7985 5.7985 5.8200 5.8200 8.6408 8.6408 8.6489 8.6489 9.4551 9.4551 9.4958 9.4958 10.9361 10.9361 10.9792 10.9792 12.9494 12.9494 12.9597 12.9597 k = 0.1183 0.4647 1.0270 ( 4038 PWs) bands (ev): -1.6071 -1.6071 -1.6015 -1.6015 2.2773 2.2773 2.2918 2.2918 4.4649 4.4649 4.4679 4.4679 5.8346 5.8346 5.8558 5.8558 8.6307 8.6307 8.6397 8.6397 9.3927 9.3927 9.4331 9.4331 10.9325 10.9325 10.9749 10.9749 12.9393 12.9393 12.9488 12.9488 k = 0.1124 0.4414 1.0270 ( 4036 PWs) bands (ev): -1.6560 -1.6560 -1.6507 -1.6507 2.3388 2.3388 2.3543 2.3543 4.5128 4.5128 4.5141 4.5141 5.8684 5.8684 5.8893 5.8893 8.6222 8.6222 8.6323 8.6323 9.3337 9.3337 9.3743 9.3743 10.9250 10.9250 10.9668 10.9668 12.9165 12.9165 12.9247 12.9247 k = 0.1065 0.4182 1.0270 ( 4036 PWs) bands (ev): -1.7026 -1.7026 -1.6974 -1.6974 2.3934 2.3934 2.4098 2.4098 4.5690 4.5690 4.5691 4.5691 5.9000 5.9000 5.9204 5.9204 8.6145 8.6145 8.6258 8.6258 9.2791 9.2791 9.3199 9.3199 10.9129 10.9129 10.9540 10.9540 12.8773 12.8773 12.8830 12.8830 k = 0.1006 0.3950 1.0270 ( 4032 PWs) bands (ev): -1.7467 -1.7467 -1.7417 -1.7417 2.4413 2.4413 2.4583 2.4583 4.6323 4.6323 4.6338 4.6338 5.9293 5.9293 5.9491 5.9491 8.6063 8.6063 8.6189 8.6189 9.2298 9.2298 9.2712 9.2712 10.8953 10.8953 10.9354 10.9354 12.8207 12.8207 12.8234 12.8234 k = 0.0947 0.3717 1.0270 ( 4030 PWs) bands (ev): -1.7883 -1.7883 -1.7836 -1.7836 2.4825 2.4825 2.4999 2.4999 4.7037 4.7037 4.7063 4.7063 5.9561 5.9561 5.9753 5.9753 8.5960 8.5960 8.6100 8.6100 9.1873 9.1873 9.2292 9.2292 10.8713 10.8713 10.9102 10.9102 12.7516 12.7516 12.7518 12.7518 k = 0.0887 0.3485 1.0270 ( 4030 PWs) bands (ev): -1.8275 -1.8275 -1.8230 -1.8230 2.5174 2.5174 2.5350 2.5350 4.7827 4.7827 4.7863 4.7863 5.9805 5.9805 5.9990 5.9990 8.5820 8.5820 8.5970 8.5970 9.1533 9.1533 9.1954 9.1954 10.8401 10.8401 10.8776 10.8776 12.6759 12.6759 12.6774 12.6774 k = 0.0828 0.3253 1.0270 ( 4030 PWs) bands (ev): -1.8642 -1.8642 -1.8600 -1.8600 2.5466 2.5466 2.5641 2.5641 4.8684 4.8684 4.8728 4.8728 6.0025 6.0025 6.0202 6.0202 8.5624 8.5624 8.5779 8.5779 9.1293 9.1293 9.1712 9.1712 10.8014 10.8014 10.8372 10.8372 12.6020 12.6020 12.6041 12.6041 k = 0.0769 0.3020 1.0270 ( 4030 PWs) bands (ev): -1.8984 -1.8984 -1.8944 -1.8944 2.5706 2.5706 2.5877 2.5877 4.9599 4.9599 4.9649 4.9649 6.0222 6.0222 6.0390 6.0390 8.5358 8.5358 8.5512 8.5512 9.1164 9.1164 9.1573 9.1573 10.7551 10.7551 10.7889 10.7889 12.5341 12.5341 12.5362 12.5362 k = 0.0710 0.2788 1.0270 ( 4026 PWs) bands (ev): -1.9301 -1.9301 -1.9264 -1.9264 2.5901 2.5901 2.6066 2.6066 5.0562 5.0562 5.0615 5.0615 6.0397 6.0397 6.0554 6.0554 8.5017 8.5017 8.5162 8.5162 9.1145 9.1145 9.1538 9.1538 10.7016 10.7016 10.7332 10.7332 12.4748 12.4748 12.4762 12.4762 k = 0.0651 0.2556 1.0270 ( 4018 PWs) bands (ev): -1.9593 -1.9593 -1.9558 -1.9558 2.6056 2.6056 2.6213 2.6213 5.1561 5.1561 5.1616 5.1616 6.0549 6.0549 6.0695 6.0695 8.4603 8.4603 8.4736 8.4736 9.1230 9.1230 9.1601 9.1601 10.6420 10.6420 10.6712 10.6712 12.4251 12.4251 12.4255 12.4255 k = 0.0592 0.2323 1.0270 ( 4022 PWs) bands (ev): -1.9859 -1.9859 -1.9827 -1.9827 2.6178 2.6178 2.6326 2.6326 5.2582 5.2582 5.2638 5.2638 6.0681 6.0681 6.0815 6.0815 8.4126 8.4126 8.4243 8.4243 9.1400 9.1400 9.1747 9.1747 10.5776 10.5776 10.6044 10.6044 12.3843 12.3843 12.3853 12.3853 k = 0.0532 0.2091 1.0270 ( 4030 PWs) bands (ev): -2.0100 -2.0100 -2.0072 -2.0072 2.6273 2.6273 2.6410 2.6410 5.3611 5.3611 5.3666 5.3666 6.0793 6.0793 6.0913 6.0913 8.3597 8.3597 8.3699 8.3699 9.1640 9.1640 9.1961 9.1961 10.5102 10.5102 10.5346 10.5346 12.3523 12.3523 12.3547 12.3547 k = 0.0473 0.1859 1.0270 ( 4036 PWs) bands (ev): -2.0316 -2.0316 -2.0290 -2.0290 2.6346 2.6346 2.6470 2.6470 5.4633 5.4633 5.4687 5.4687 6.0884 6.0884 6.0991 6.0991 8.3033 8.3033 8.3120 8.3120 9.1931 9.1931 9.2226 9.2226 10.4417 10.4417 10.4637 10.4637 12.3288 12.3288 12.3326 12.3326 k = 0.0414 0.1626 1.0270 ( 4032 PWs) bands (ev): -2.0506 -2.0506 -2.0484 -2.0484 2.6401 2.6401 2.6512 2.6512 5.5631 5.5631 5.5683 5.5683 6.0957 6.0957 6.1048 6.1048 8.2450 8.2450 8.2524 8.2524 9.2256 9.2256 9.2525 9.2525 10.3740 10.3740 10.3938 10.3938 12.3126 12.3126 12.3176 12.3176 k = 0.0355 0.1394 1.0270 ( 4036 PWs) bands (ev): -2.0671 -2.0671 -2.0652 -2.0652 2.6442 2.6442 2.6538 2.6538 5.6586 5.6586 5.6636 5.6636 6.1009 6.1009 6.1085 6.1085 8.1868 8.1868 8.1930 8.1930 9.2600 9.2600 9.2842 9.2842 10.3092 10.3092 10.3268 10.3268 12.3028 12.3028 12.3089 12.3089 k = 0.0296 0.1162 1.0270 ( 4032 PWs) bands (ev): -2.0810 -2.0810 -2.0794 -2.0794 2.6473 2.6473 2.6554 2.6554 5.7479 5.7479 5.7525 5.7525 6.1039 6.1039 6.1099 6.1099 8.1309 8.1309 8.1359 8.1359 9.2947 9.2947 9.3160 9.3160 10.2490 10.2490 10.2645 10.2645 12.2984 12.2985 12.3052 12.3052 k = 0.0237 0.0929 1.0270 ( 4028 PWs) bands (ev): -2.0924 -2.0924 -2.0911 -2.0911 2.6496 2.6496 2.6562 2.6562 5.8287 5.8287 5.8329 5.8329 6.1044 6.1044 6.1088 6.1088 8.0797 8.0797 8.0836 8.0836 9.3280 9.3280 9.3460 9.3460 10.1956 10.1956 10.2087 10.2087 12.2986 12.2986 12.3056 12.3056 k = 0.0177 0.0697 1.0270 ( 4024 PWs) bands (ev): -2.1012 -2.1012 -2.1002 -2.1002 2.6514 2.6514 2.6563 2.6563 5.8989 5.8989 5.9025 5.9025 6.1018 6.1018 6.1046 6.1046 8.0358 8.0358 8.0388 8.0388 9.3580 9.3580 9.3723 9.3723 10.1510 10.1510 10.1615 10.1615 12.3023 12.3023 12.3091 12.3091 k = 0.0118 0.0465 1.0270 ( 4032 PWs) bands (ev): -2.1075 -2.1075 -2.1068 -2.1068 2.6528 2.6528 2.6561 2.6561 5.9563 5.9563 5.9592 5.9592 6.0955 6.0955 6.0969 6.0969 8.0021 8.0021 8.0040 8.0040 9.3826 9.3826 9.3926 9.3926 10.1175 10.1175 10.1249 10.1249 12.3085 12.3085 12.3143 12.3143 k = 0.0059 0.0232 1.0270 ( 4028 PWs) bands (ev): -2.1112 -2.1112 -2.1108 -2.1108 2.6539 2.6539 2.6556 2.6556 5.9980 5.9980 5.9999 5.9999 6.0860 6.0860 6.0863 6.0863 7.9809 7.9809 7.9819 7.9819 9.3996 9.3996 9.4048 9.4048 10.0971 10.0971 10.1009 10.1009 12.3153 12.3153 12.3188 12.3188 k = 0.0000 0.0000 1.0270 ( 4024 PWs) bands (ev): -2.1123 -2.1123 -2.1123 -2.1123 2.6548 2.6548 2.6548 2.6548 6.0162 6.0162 6.0162 6.0162 6.0796 6.0796 6.0796 6.0796 7.9739 7.9739 7.9739 7.9739 9.4073 9.4073 9.4073 9.4073 10.0914 10.0914 10.0914 10.0914 12.3196 12.3196 12.3196 12.3196 k = 0.0000 0.0000 1.0270 ( 4024 PWs) bands (ev): -2.1123 -2.1123 -2.1123 -2.1123 2.6548 2.6548 2.6548 2.6548 6.0162 6.0162 6.0162 6.0162 6.0796 6.0796 6.0796 6.0796 7.9739 7.9739 7.9739 7.9739 9.4073 9.4073 9.4073 9.4073 10.0914 10.0914 10.0914 10.0914 12.3196 12.3196 12.3196 12.3196 k = 0.0000 0.0000 1.0031 ( 4022 PWs) bands (ev): -2.2189 -2.2189 -2.0042 -2.0042 2.5543 2.5543 2.7578 2.7578 5.9135 5.9135 6.0154 6.0154 6.1203 6.1203 6.1435 6.1435 7.9401 7.9401 8.0084 8.0084 9.3884 9.3884 9.4290 9.4290 10.0343 10.0343 10.1442 10.1442 12.2780 12.2780 12.3516 12.3516 k = 0.0000 0.0000 0.9792 ( 4038 PWs) bands (ev): -2.3239 -2.3239 -1.8948 -1.8948 2.4565 2.4565 2.8631 2.8631 5.8110 5.8110 5.9531 5.9531 6.2084 6.2084 6.2233 6.2233 7.9069 7.9069 8.0436 8.0436 9.3726 9.3726 9.4533 9.4533 9.9743 9.9743 10.1913 10.1913 12.2298 12.2298 12.3400 12.3400 k = 0.0000 0.0000 0.9553 ( 4030 PWs) bands (ev): -2.4272 -2.4272 -1.7842 -1.7842 2.3617 2.3617 2.9704 2.9704 5.7093 5.7093 5.8915 5.8915 6.2744 6.2744 6.3258 6.3258 7.8742 7.8742 8.0794 8.0794 9.3600 9.3600 9.4797 9.4797 9.9128 9.9128 10.2315 10.2315 12.1750 12.1750 12.3098 12.3098 k = 0.0000 0.0000 0.9315 ( 4028 PWs) bands (ev): -2.5287 -2.5287 -1.6728 -1.6728 2.2701 2.2701 3.0796 3.0796 5.6088 5.6088 5.8308 5.8308 6.3413 6.3413 6.4274 6.4274 7.8420 7.8420 8.1158 8.1158 9.3509 9.3509 9.5081 9.5081 9.8509 9.8509 10.2637 10.2637 12.1140 12.1140 12.2819 12.2819 k = 0.0000 0.0000 0.9076 ( 4018 PWs) bands (ev): -2.6283 -2.6283 -1.5607 -1.5607 2.1821 2.1821 3.1904 3.1904 5.5096 5.5096 5.7711 5.7711 6.4090 6.4090 6.5273 6.5273 7.8102 7.8102 8.1528 8.1528 9.3454 9.3454 9.5379 9.5379 9.7902 9.7902 10.2871 10.2871 12.0473 12.0473 12.2579 12.2579 k = 0.0000 0.0000 0.8837 ( 4014 PWs) bands (ev): -2.7258 -2.7258 -1.4483 -1.4483 2.0979 2.0979 3.3026 3.3026 5.4122 5.4122 5.7122 5.7122 6.4777 6.4777 6.6251 6.6251 7.7787 7.7787 8.1902 8.1902 9.3436 9.3436 9.5686 9.5686 9.7319 9.7319 10.3012 10.3012 11.9753 11.9753 12.2383 12.2383 k = 0.0000 0.0000 0.8598 ( 4026 PWs) bands (ev): -2.8213 -2.8213 -1.3359 -1.3359 2.0180 2.0180 3.4158 3.4158 5.3169 5.3169 5.6543 5.6543 6.5472 6.5472 6.7199 6.7199 7.7475 7.7475 8.2279 8.2279 9.3456 9.3456 9.5991 9.5991 9.6781 9.6781 10.3060 10.3060 11.8987 11.8987 12.2237 12.2237 k = 0.0000 0.0000 0.8359 ( 4030 PWs) bands (ev): -2.9147 -2.9147 -1.2240 -1.2240 1.9429 1.9429 3.5296 3.5296 5.2240 5.2240 5.5974 5.5974 6.6177 6.6177 6.8109 6.8109 7.7166 7.7166 8.2657 8.2657 9.3516 9.3516 9.6140 9.6140 9.6446 9.6446 10.3019 10.3019 11.8180 11.8180 12.2146 12.2146 k = 0.0000 0.0000 0.8120 ( 4038 PWs) bands (ev): -3.0058 -3.0058 -1.1131 -1.1131 1.8731 1.8731 3.6435 3.6435 5.1342 5.1342 5.5415 5.5415 6.6890 6.6890 6.8970 6.8970 7.6862 7.6862 8.3033 8.3033 9.3615 9.3615 9.5772 9.5772 9.6686 9.6686 10.2896 10.2896 11.7337 11.7337 12.2115 12.2115 k = 0.0000 0.0000 0.7882 ( 4040 PWs) bands (ev): -3.0947 -3.0947 -1.0039 -1.0039 1.8094 1.8094 3.7567 3.7567 5.0482 5.0482 5.4867 5.4867 6.7612 6.7612 6.9767 6.9767 7.6567 7.6567 8.3405 8.3405 9.3754 9.3754 9.5401 9.5401 9.6991 9.6991 10.2702 10.2702 11.6464 11.6464 12.2147 12.2147 k = 0.0000 0.0000 0.7643 ( 4042 PWs) bands (ev): -3.1814 -3.1814 -0.8972 -0.8972 1.7524 1.7524 3.8680 3.8680 4.9673 4.9673 5.4329 5.4329 6.8343 6.8343 7.0484 7.0484 7.6289 7.6289 8.3769 8.3769 9.3933 9.3933 9.5101 9.5101 9.7294 9.7294 10.2451 10.2451 11.5564 11.5564 12.2246 12.2246 k = 0.0000 0.0000 0.7404 ( 4040 PWs) bands (ev): -3.2657 -3.2657 -0.7939 -0.7939 1.7032 1.7032 3.9751 3.9751 4.8936 4.8936 5.3803 5.3803 6.9083 6.9083 7.1095 7.1095 7.6042 7.6042 8.4120 8.4120 9.4152 9.4152 9.4888 9.4888 9.7586 9.7586 10.2155 10.2155 11.4641 11.4641 12.2411 12.2411 k = 0.0000 0.0000 0.7165 ( 4032 PWs) bands (ev): -3.3476 -3.3476 -0.6951 -0.6951 1.6628 1.6628 4.0743 4.0743 4.8308 4.8308 5.3288 5.3288 6.9831 6.9831 7.1571 7.1571 7.5849 7.5849 8.4455 8.4455 9.4408 9.4408 9.4769 9.4769 9.7863 9.7863 10.1829 10.1829 11.3700 11.3700 12.2601 12.2601 k = 0.0000 0.0000 0.6926 ( 4026 PWs) bands (ev): -3.4272 -3.4272 -0.6020 -0.6020 1.6325 1.6325 4.1586 4.1586 4.7860 4.7860 5.2785 5.2785 7.0587 7.0587 7.1877 7.1877 7.5739 7.5739 8.4768 8.4768 9.4668 9.4668 9.4784 9.4784 9.8123 9.8123 10.1488 10.1488 11.2744 11.2744 12.2330 12.2330 k = 0.0000 0.0000 0.6687 ( 4022 PWs) bands (ev): -3.5043 -3.5043 -0.5160 -0.5160 1.6137 1.6137 4.2168 4.2168 4.7702 4.7702 5.2295 5.2295 7.1347 7.1347 7.1988 7.1988 7.5731 7.5731 8.5054 8.5054 9.4787 9.4787 9.5073 9.5073 9.8363 9.8363 10.1144 10.1144 11.1778 11.1778 12.1798 12.1798 k = 0.0000 0.0000 0.6449 ( 4014 PWs) bands (ev): -3.5789 -3.5789 -0.4385 -0.4385 1.6077 1.6077 4.2387 4.2387 4.7935 4.7935 5.1818 5.1818 7.1881 7.1881 7.2142 7.2142 7.5820 7.5820 8.5307 8.5307 9.4949 9.4949 9.5449 9.5449 9.8585 9.8585 10.0809 10.0809 11.0809 11.0809 12.1254 12.1254 k = 0.0000 0.0000 0.6210 ( 4012 PWs) bands (ev): -3.6510 -3.6510 -0.3707 -0.3707 1.6158 1.6158 4.2252 4.2252 4.8549 4.8549 5.1354 5.1354 7.1655 7.1655 7.2905 7.2905 7.5973 7.5973 8.5522 8.5522 9.5185 9.5185 9.5867 9.5867 9.8789 9.8789 10.0492 10.0492 10.9845 10.9845 12.0723 12.0723 k = 0.0000 0.0000 0.5971 ( 4008 PWs) bands (ev): -3.7207 -3.7207 -0.3138 -0.3138 1.6390 1.6390 4.1881 4.1881 4.9426 4.9426 5.0904 5.0904 7.1300 7.1300 7.3685 7.3685 7.6152 7.6152 8.5695 8.5695 9.5478 9.5478 9.6324 9.6324 9.8976 9.8976 10.0203 10.0203 10.8900 10.8900 12.0216 12.0216 k = 0.0000 0.0000 0.5732 ( 4008 PWs) bands (ev): -3.7877 -3.7877 -0.2681 -0.2681 1.6778 1.6778 4.1382 4.1382 5.0407 5.0407 5.0518 5.0518 7.0862 7.0862 7.4468 7.4468 7.6329 7.6329 8.5822 8.5822 9.5801 9.5801 9.6819 9.6819 9.9148 9.9148 9.9944 9.9944 10.7993 10.7993 11.9743 11.9743 k = 0.0000 0.0000 0.5493 ( 4006 PWs) bands (ev): -3.8522 -3.8522 -0.2339 -0.2339 1.7323 1.7323 4.0822 4.0822 5.0042 5.0042 5.1575 5.1575 7.0364 7.0364 7.5254 7.5254 7.6489 7.6489 8.5901 8.5901 9.6115 9.6115 9.7349 9.7349 9.9306 9.9306 9.9722 9.9722 10.7153 10.7153 11.9312 11.9312 k = 0.0000 0.0000 0.5254 ( 3990 PWs) bands (ev): -3.9141 -3.9141 -0.2105 -0.2105 1.8019 1.8019 4.0238 4.0238 4.9636 4.9636 5.2735 5.2735 6.9822 6.9822 7.6039 7.6039 7.6626 7.6626 8.5934 8.5934 9.6367 9.6367 9.7913 9.7913 9.9419 9.9419 9.9567 9.9567 10.6422 10.6422 11.8933 11.8933 k = 0.0000 0.0000 0.5016 ( 3990 PWs) bands (ev): -3.9734 -3.9734 -0.1969 -0.1969 1.8855 1.8855 3.9649 3.9649 4.9245 4.9245 5.3921 5.3921 6.9245 6.9245 7.6726 7.6726 7.6831 7.6831 8.5923 8.5923 9.6493 9.6493 9.8506 9.8506 9.9318 9.9318 9.9653 9.9653 10.5855 10.5855 11.8614 11.8614 k = 0.0000 0.0000 0.4777 ( 3986 PWs) bands (ev): -4.0301 -4.0301 -0.1919 -0.1919 1.9818 1.9818 3.9067 3.9067 4.8869 4.8869 5.5118 5.5118 6.8640 6.8640 7.6817 7.6817 7.7600 7.7600 8.5874 8.5874 9.6423 9.6423 9.9102 9.9102 9.9187 9.9187 9.9817 9.9817 10.5509 10.5509 11.8363 11.8363 k = 0.0000 0.0000 0.4538 ( 3990 PWs) bands (ev): -4.0841 -4.0841 -0.1939 -0.1939 2.0892 2.0892 3.8498 3.8498 4.8510 4.8510 5.6316 5.6316 6.8011 6.8011 7.6877 7.6877 7.8368 7.8368 8.5793 8.5793 9.6114 9.6114 9.9007 9.9007 9.9721 9.9721 10.0053 10.0053 10.5417 10.5417 11.8189 11.8189 k = 0.0000 0.0000 0.4299 ( 3980 PWs) bands (ev): -4.1354 -4.1354 -0.2016 -0.2016 2.2063 2.2063 3.7948 3.7948 4.8166 4.8166 5.7508 5.7508 6.7362 6.7362 7.6914 7.6914 7.9123 7.9123 8.5688 8.5688 9.5565 9.5565 9.8845 9.8845 10.0077 10.0077 10.0575 10.0575 10.5571 10.5571 11.8098 11.8098 k = 0.0000 0.0000 0.4060 ( 3978 PWs) bands (ev): -4.1841 -4.1841 -0.2137 -0.2137 2.3317 2.3317 3.7419 3.7419 4.7840 4.7840 5.8687 5.8687 6.6692 6.6692 7.6930 7.6930 7.9861 7.9861 8.5570 8.5570 9.4813 9.4813 9.8662 9.8662 10.0316 10.0316 10.1266 10.1266 10.5926 10.5926 11.8095 11.8095 k = 0.0000 0.0000 0.3821 ( 3977 PWs) bands (ev): -4.2300 -4.2300 -0.2290 -0.2290 2.4640 2.4640 3.6914 3.6914 4.7530 4.7530 5.9847 5.9847 6.6003 6.6003 7.6927 7.6927 8.0578 8.0578 8.5448 8.5448 9.3916 9.3916 9.8449 9.8449 10.0568 10.0568 10.2002 10.2002 10.6423 10.6423 11.8184 11.8184 k = 0.0000 0.0000 0.3583 ( 3981 PWs) bands (ev): -4.2733 -4.2733 -0.2465 -0.2465 2.6023 2.6023 3.6434 3.6434 4.7238 4.7238 6.0981 6.0981 6.5294 6.5294 7.6905 7.6905 8.1269 8.1269 8.5332 8.5332 9.2923 9.2923 9.8198 9.8198 10.0852 10.0852 10.2764 10.2764 10.7010 10.7010 11.8366 11.8366 k = 0.0000 0.0000 0.3344 ( 3981 PWs) bands (ev): -4.3138 -4.3138 -0.2654 -0.2654 2.7454 2.7454 3.5981 3.5981 4.6963 4.6963 6.2083 6.2083 6.4562 6.4562 7.6864 7.6864 8.1928 8.1928 8.5232 8.5232 9.1878 9.1878 9.7902 9.7902 10.1177 10.1177 10.3546 10.3546 10.7643 10.7643 11.8640 11.8640 k = 0.0000 0.0000 0.3105 ( 3981 PWs) bands (ev): -4.3516 -4.3516 -0.2850 -0.2850 2.8925 2.8925 3.5555 3.5555 4.6706 4.6706 6.3145 6.3145 6.3806 6.3806 7.6805 7.6805 8.2551 8.2551 8.5159 8.5159 9.0814 9.0814 9.7557 9.7557 10.1550 10.1550 10.4343 10.4343 10.8293 10.8293 11.9000 11.9000 k = 0.0000 0.0000 0.2866 ( 3977 PWs) bands (ev): -4.3866 -4.3866 -0.3047 -0.3047 3.0429 3.0429 3.5159 3.5159 4.6467 4.6467 6.3018 6.3018 6.4163 6.4163 7.6727 7.6727 8.3132 8.3132 8.5121 8.5121 8.9759 8.9759 9.7161 9.7161 10.1975 10.1975 10.5149 10.5149 10.8936 10.8936 11.9439 11.9439 k = 0.0000 0.0000 0.2627 ( 3977 PWs) bands (ev): -4.4189 -4.4189 -0.3241 -0.3241 3.1958 3.1958 3.4793 3.4793 4.6247 4.6247 6.2200 6.2200 6.5125 6.5125 7.6630 7.6630 8.3665 8.3665 8.5130 8.5130 8.8737 8.8737 9.6717 9.6717 10.2457 10.2457 10.5959 10.5959 10.9554 10.9554 11.9946 11.9946 k = 0.0000 0.0000 0.2388 ( 3985 PWs) bands (ev): -4.4484 -4.4484 -0.3427 -0.3427 3.3503 3.3503 3.4459 3.4459 4.6045 4.6045 6.1344 6.1344 6.6026 6.6026 7.6514 7.6514 8.4142 8.4142 8.5196 8.5196 8.7768 8.7768 9.6225 9.6225 10.2998 10.2998 10.6766 10.6766 11.0135 11.0135 12.0501 12.0501 k = 0.0000 0.0000 0.2150 ( 3989 PWs) bands (ev): -4.4751 -4.4751 -0.3604 -0.3604 3.4142 3.4142 3.5073 3.5073 4.5862 4.5862 6.0446 6.0446 6.6857 6.6857 7.6379 7.6379 8.4554 8.4554 8.5329 8.5329 8.6876 8.6876 9.5691 9.5691 10.3600 10.3600 10.7561 10.7561 11.0669 11.0669 12.0657 12.0658 k = 0.0000 0.0000 0.1911 ( 3997 PWs) bands (ev): -4.4990 -4.4990 -0.3767 -0.3767 3.3870 3.3870 3.6634 3.6634 4.5697 4.5697 5.9503 5.9503 6.7611 6.7611 7.6228 7.6228 8.4881 8.4881 8.5534 8.5534 8.6092 8.6092 9.5120 9.5120 10.4261 10.4261 10.8333 10.8333 11.1149 11.1149 12.0346 12.0347 k = 0.0000 0.0000 0.1672 ( 3999 PWs) bands (ev): -4.5201 -4.5201 -0.3915 -0.3915 3.3627 3.3627 3.8196 3.8196 4.5552 4.5552 5.8511 5.8511 6.8283 6.8283 7.6064 7.6064 8.4989 8.4989 8.5561 8.5561 8.5814 8.5814 9.4517 9.4517 10.4978 10.4978 10.9071 10.9071 11.1574 11.1574 12.0064 12.0064 k = 0.0000 0.0000 0.1433 ( 3995 PWs) bands (ev): -4.5384 -4.5384 -0.4046 -0.4046 3.3415 3.3415 3.9747 3.9747 4.5426 4.5426 5.7472 5.7472 6.8867 6.8867 7.5894 7.5894 8.4575 8.4575 8.5637 8.5637 8.6126 8.6126 9.3891 9.3891 10.5744 10.5744 10.9760 10.9760 11.1940 11.1940 11.9818 11.9818 k = 0.0000 0.0000 0.1194 ( 3995 PWs) bands (ev): -4.5539 -4.5539 -0.4160 -0.4160 3.3236 3.3236 4.1273 4.1273 4.5319 4.5319 5.6389 5.6389 6.9361 6.9361 7.5725 7.5725 8.4089 8.4089 8.5858 8.5858 8.6479 8.6479 9.3252 9.3252 10.6547 10.6547 11.0382 11.0382 11.2251 11.2251 11.9547 11.9548 k = 0.0000 0.0000 0.0955 ( 3999 PWs) bands (ev): -4.5666 -4.5666 -0.4254 -0.4254 3.3088 3.3088 4.2759 4.2759 4.5231 4.5231 5.5274 5.5274 6.9763 6.9763 7.5568 7.5568 8.3683 8.3683 8.6062 8.6062 8.6875 8.6875 9.2611 9.2611 10.7369 10.7369 11.0920 11.0920 11.2508 11.2508 11.8517 11.8518 k = 0.0000 0.0000 0.0717 ( 3997 PWs) bands (ev): -4.5765 -4.5765 -0.4328 -0.4328 3.2974 3.2974 4.4172 4.4172 4.5164 4.5164 5.4152 5.4152 7.0073 7.0073 7.5432 7.5432 8.3370 8.3370 8.6225 8.6225 8.7304 8.7304 9.1990 9.1990 10.8177 10.8177 11.1353 11.1353 11.2713 11.2713 11.7432 11.7432 k = 0.0000 0.0000 0.0478 ( 3995 PWs) bands (ev): -4.5836 -4.5836 -0.4381 -0.4381 3.2891 3.2891 4.5106 4.5106 4.5463 4.5463 5.3081 5.3081 7.0293 7.0293 7.5327 7.5327 8.3150 8.3150 8.6341 8.6341 8.7734 8.7734 9.1425 9.1425 10.8911 10.8911 11.1667 11.1667 11.2867 11.2867 11.6499 11.6499 k = 0.0000 0.0000 0.0239 ( 3999 PWs) bands (ev): -4.5878 -4.5878 -0.4413 -0.4413 3.2842 3.2842 4.5082 4.5082 4.6461 4.6461 5.2206 5.2206 7.0425 7.0425 7.5261 7.5261 8.3019 8.3019 8.6410 8.6410 8.8091 8.8091 9.0989 9.0989 10.9462 10.9462 11.1853 11.1853 11.2964 11.2964 11.5830 11.5830 k = 0.0000 0.0000 0.0000 ( 3999 PWs) bands (ev): -4.5892 -4.5892 -0.4424 -0.4424 3.2826 3.2826 4.5073 4.5073 4.6876 4.6876 5.1834 5.1834 7.0468 7.0468 7.5238 7.5238 8.2976 8.2976 8.6433 8.6433 8.8240 8.8240 9.0813 9.0813 10.9676 10.9676 11.1914 11.1914 11.2998 11.2998 11.5579 11.5579 k = 0.0000 0.0000 0.0000 ( 3999 PWs) bands (ev): -4.5892 -4.5892 -0.4424 -0.4424 3.2826 3.2826 4.5073 4.5073 4.6876 4.6876 5.1834 5.1834 7.0468 7.0468 7.5238 7.5238 8.2976 8.2976 8.6433 8.6433 8.8240 8.8240 9.0813 9.0813 10.9676 10.9676 11.1914 11.1914 11.2998 11.2998 11.5579 11.5579 k =-0.0227 0.0058-0.0000 ( 4001 PWs) bands (ev): -4.5891 -4.5891 -0.4432 -0.4432 3.2847 3.2847 4.5073 4.5073 4.6877 4.6877 5.1833 5.1833 7.0468 7.0468 7.5147 7.5147 8.2943 8.2943 8.6431 8.6431 8.8235 8.8235 9.0960 9.0960 10.9666 10.9666 11.1923 11.1923 11.2993 11.2993 11.5592 11.5592 k =-0.0455 0.0116-0.0000 ( 3995 PWs) bands (ev): -4.5887 -4.5887 -0.4454 -0.4454 3.2910 3.2910 4.5073 4.5073 4.6880 4.6880 5.1833 5.1833 7.0466 7.0466 7.4879 7.4879 8.2856 8.2856 8.6426 8.6426 8.8222 8.8222 9.1384 9.1384 10.9637 10.9637 11.1948 11.1948 11.2981 11.2981 11.5630 11.5630 k =-0.0682 0.0174-0.0000 ( 4001 PWs) bands (ev): -4.5881 -4.5881 -0.4490 -0.4490 3.3014 3.3014 4.5073 4.5073 4.6884 4.6884 5.1831 5.1831 7.0462 7.0462 7.4449 7.4449 8.2744 8.2744 8.6419 8.6419 8.8199 8.8199 9.2038 9.2038 10.9590 10.9590 11.1988 11.1988 11.2963 11.2963 11.5694 11.5694 k =-0.0909 0.0231-0.0000 ( 4001 PWs) bands (ev): -4.5873 -4.5873 -0.4540 -0.4540 3.3158 3.3158 4.5073 4.5073 4.6891 4.6891 5.1829 5.1829 7.0459 7.0459 7.3882 7.3882 8.2635 8.2635 8.6410 8.6410 8.8169 8.8169 9.2866 9.2866 10.9529 10.9529 11.2037 11.2037 11.2946 11.2946 11.5784 11.5784 k =-0.1136 0.0289-0.0000 ( 4005 PWs) bands (ev): -4.5863 -4.5863 -0.4602 -0.4602 3.3339 3.3339 4.5073 4.5073 4.6899 4.6899 5.1826 5.1826 7.0455 7.0455 7.3204 7.3204 8.2545 8.2545 8.6400 8.6400 8.8132 8.8132 9.3822 9.3822 10.9457 10.9457 11.2091 11.2091 11.2934 11.2934 11.5898 11.5898 k =-0.1364 0.0347-0.0000 ( 4011 PWs) bands (ev): -4.5851 -4.5851 -0.4675 -0.4675 3.3556 3.3556 4.5073 4.5073 4.6909 4.6909 5.1823 5.1823 7.0452 7.0452 7.2446 7.2446 8.2478 8.2478 8.6388 8.6388 8.8088 8.8088 9.4866 9.4866 10.9377 10.9377 11.2146 11.2146 11.2936 11.2936 11.6037 11.6037 k =-0.1591 0.0405-0.0000 ( 4015 PWs) bands (ev): -4.5837 -4.5837 -0.4757 -0.4757 3.3804 3.3804 4.5073 4.5073 4.6920 4.6920 5.1819 5.1819 7.0447 7.0447 7.1635 7.1635 8.2434 8.2434 8.6376 8.6376 8.8039 8.8039 9.5969 9.5969 10.9293 10.9293 11.2199 11.2199 11.2956 11.2956 11.6199 11.6199 k =-0.1818 0.0463-0.0000 ( 4011 PWs) bands (ev): -4.5822 -4.5822 -0.4847 -0.4847 3.4080 3.4080 4.5073 4.5073 4.6933 4.6933 5.1814 5.1814 7.0419 7.0419 7.0817 7.0817 8.2409 8.2409 8.6362 8.6362 8.7985 8.7985 9.7106 9.7106 10.9205 10.9205 11.2251 11.2251 11.2996 11.2996 11.6381 11.6381 k =-0.2045 0.0521-0.0000 ( 4015 PWs) bands (ev): -4.5805 -4.5805 -0.4942 -0.4942 3.4379 3.4379 4.5073 4.5073 4.6946 4.6946 5.1809 5.1809 6.9882 6.9882 7.0498 7.0498 8.2396 8.2396 8.6347 8.6347 8.7928 8.7928 9.8257 9.8257 10.9118 10.9118 11.2308 11.2308 11.3057 11.3057 11.6567 11.6567 k =-0.2273 0.0579-0.0000 ( 4027 PWs) bands (ev): -4.5788 -4.5788 -0.5040 -0.5040 3.4698 3.4698 4.5073 4.5073 4.6960 4.6960 5.1804 5.1804 6.9036 6.9036 7.0492 7.0492 8.2391 8.2391 8.6332 8.6332 8.7868 8.7868 9.9403 9.9403 10.9032 10.9032 11.2377 11.2377 11.3134 11.3134 11.6540 11.6540 k =-0.2500 0.0637-0.0000 ( 4023 PWs) bands (ev): -4.5771 -4.5771 -0.5140 -0.5140 3.5030 3.5030 4.5073 4.5073 4.6974 4.6974 5.1798 5.1798 6.8195 6.8195 7.0503 7.0503 8.2390 8.2390 8.6317 8.6317 8.7808 8.7808 10.0527 10.0527 10.8948 10.8948 11.2462 11.2462 11.3226 11.3226 11.6285 11.6285 k =-0.2727 0.0694-0.0000 ( 4017 PWs) bands (ev): -4.5754 -4.5754 -0.5239 -0.5239 3.5370 3.5370 4.5073 4.5073 4.6988 4.6988 5.1792 5.1792 6.7378 6.7378 7.0519 7.0519 8.2389 8.2389 8.6301 8.6301 8.7747 8.7747 10.1610 10.1610 10.8869 10.8869 11.2570 11.2570 11.3330 11.3330 11.6030 11.6030 k =-0.2955 0.0752-0.0000 ( 4017 PWs) bands (ev): -4.5737 -4.5737 -0.5336 -0.5336 3.5711 3.5711 4.5073 4.5073 4.7001 4.7001 5.1786 5.1786 6.6598 6.6598 7.0539 7.0539 8.2388 8.2388 8.6286 8.6286 8.7688 8.7688 10.2636 10.2636 10.8794 10.8794 11.2698 11.2698 11.3450 11.3450 11.5794 11.5794 k =-0.3182 0.0810-0.0000 ( 4013 PWs) bands (ev): -4.5720 -4.5720 -0.5428 -0.5428 3.6046 3.6046 4.5074 4.5074 4.7015 4.7015 5.1780 5.1780 6.5866 6.5866 7.0561 7.0561 8.2383 8.2383 8.6271 8.6271 8.7632 8.7632 10.3587 10.3587 10.8726 10.8726 11.2841 11.2841 11.3588 11.3588 11.5583 11.5583 k =-0.3409 0.0868-0.0000 ( 4011 PWs) bands (ev): -4.5705 -4.5705 -0.5513 -0.5513 3.6367 3.6367 4.5074 4.5074 4.7027 4.7027 5.1774 5.1774 6.5191 6.5191 7.0586 7.0586 8.2376 8.2376 8.6256 8.6256 8.7579 8.7579 10.4446 10.4446 10.8664 10.8664 11.2986 11.2986 11.3753 11.3753 11.5398 11.5398 k =-0.3636 0.0926-0.0000 ( 4013 PWs) bands (ev): -4.5691 -4.5691 -0.5591 -0.5591 3.6668 3.6668 4.5074 4.5074 4.7038 4.7038 5.1768 5.1768 6.4582 6.4582 7.0611 7.0611 8.2366 8.2366 8.6243 8.6243 8.7531 8.7531 10.5201 10.5201 10.8610 10.8610 11.3119 11.3119 11.3949 11.3949 11.5244 11.5244 k =-0.3864 0.0984-0.0000 ( 4009 PWs) bands (ev): -4.5678 -4.5678 -0.5659 -0.5659 3.6940 3.6940 4.5074 4.5074 4.7048 4.7048 5.1763 5.1763 6.4049 6.4049 7.0635 7.0635 8.2354 8.2354 8.6231 8.6231 8.7489 8.7489 10.5842 10.5842 10.8563 10.8563 11.3228 11.3228 11.4165 11.4165 11.5126 11.5126 k =-0.4091 0.1042-0.0000 ( 4005 PWs) bands (ev): -4.5668 -4.5668 -0.5717 -0.5717 3.7176 3.7176 4.5074 4.5074 4.7057 4.7057 5.1758 5.1758 6.3599 6.3599 7.0656 7.0656 8.2342 8.2342 8.6221 8.6221 8.7453 8.7453 10.6363 10.6363 10.8524 10.8524 11.3312 11.3312 11.4372 11.4372 11.5057 11.5057 k =-0.4318 0.1099-0.0000 ( 4009 PWs) bands (ev): -4.5659 -4.5659 -0.5763 -0.5763 3.7368 3.7368 4.5074 4.5074 4.7064 4.7064 5.1754 5.1754 6.3239 6.3239 7.0675 7.0675 8.2331 8.2331 8.6213 8.6213 8.7425 8.7425 10.6764 10.6764 10.8493 10.8493 11.3374 11.3374 11.4518 11.4518 11.5059 11.5059 k =-0.4545 0.1157-0.0000 ( 4013 PWs) bands (ev): -4.5653 -4.5653 -0.5797 -0.5797 3.7510 3.7510 4.5074 4.5074 4.7069 4.7069 5.1752 5.1752 6.2978 6.2978 7.0689 7.0689 8.2322 8.2322 8.6207 8.6207 8.7404 8.7404 10.7047 10.7047 10.8471 10.8471 11.3415 11.3415 11.4579 11.4579 11.5131 11.5131 k =-0.4773 0.1215-0.0000 ( 4012 PWs) bands (ev): -4.5649 -4.5649 -0.5817 -0.5817 3.7598 3.7598 4.5074 4.5074 4.7072 4.7072 5.1750 5.1750 6.2819 6.2819 7.0698 7.0698 8.2316 8.2316 8.6204 8.6204 8.7392 8.7392 10.7214 10.7214 10.8457 10.8457 11.3439 11.3439 11.4591 11.4591 11.5210 11.5210 k =-0.5000 0.1273-0.0000 ( 4012 PWs) bands (ev): -4.5648 -4.5648 -0.5824 -0.5824 3.7627 3.7627 4.5074 4.5074 4.7073 4.7073 5.1750 5.1750 6.2765 6.2765 7.0701 7.0701 8.2314 8.2314 8.6202 8.6202 8.7387 8.7387 10.7270 10.7270 10.8453 10.8453 11.3447 11.3447 11.4591 11.4591 11.5241 11.5241 k =-0.5000 0.1273-0.0000 ( 4012 PWs) bands (ev): -4.5648 -4.5648 -0.5824 -0.5824 3.7627 3.7627 4.5074 4.5074 4.7073 4.7073 5.1750 5.1750 6.2765 6.2765 7.0701 7.0701 8.2314 8.2314 8.6202 8.6202 8.7387 8.7387 10.7270 10.7270 10.8453 10.8453 11.3447 11.3447 11.4591 11.4591 11.5241 11.5241 k =-0.4942 0.1503-0.0000 ( 4012 PWs) bands (ev): -4.5634 -4.5634 -0.5813 -0.5813 3.7643 3.7643 4.4704 4.4704 4.7082 4.7082 5.2080 5.2080 6.2806 6.2806 7.0639 7.0639 8.2334 8.2334 8.6237 8.6237 8.7368 8.7368 10.7284 10.7284 10.8281 10.8281 11.3388 11.3388 11.4681 11.4681 11.5239 11.5239 k =-0.4883 0.1732-0.0000 ( 4004 PWs) bands (ev): -4.5593 -4.5593 -0.5780 -0.5780 3.7690 3.7690 4.3760 4.3760 4.7111 4.7111 5.2903 5.2903 6.2929 6.2929 7.0455 7.0455 8.2394 8.2394 8.6334 8.6334 8.7315 8.7315 10.7323 10.7323 10.7828 10.7828 11.3195 11.3195 11.4588 11.4588 11.5580 11.5580 k =-0.4825 0.1962-0.0000 ( 3998 PWs) bands (ev): -4.5525 -4.5525 -0.5725 -0.5725 3.7769 3.7769 4.2499 4.2499 4.7159 4.7159 5.3955 5.3955 6.3141 6.3141 7.0154 7.0154 8.2494 8.2494 8.6475 8.6475 8.7243 8.7243 10.7164 10.7164 10.7432 10.7432 11.2863 11.2863 11.4190 11.4190 11.6336 11.6336 k =-0.4766 0.2191-0.0000 ( 4002 PWs) bands (ev): -4.5429 -4.5429 -0.5648 -0.5648 3.7879 3.7879 4.1076 4.1076 4.7226 4.7226 5.5070 5.5070 6.3448 6.3448 6.9743 6.9743 8.2638 8.2638 8.6590 8.6590 8.7216 8.7216 10.6474 10.6474 10.7517 10.7517 11.2411 11.2411 11.3662 11.3662 11.7283 11.7283 k =-0.4708 0.2421-0.0000 ( 4002 PWs) bands (ev): -4.5305 -4.5305 -0.5551 -0.5551 3.8020 3.8020 3.9568 3.9568 4.7313 4.7313 5.6158 5.6158 6.3858 6.3858 6.9231 6.9231 8.2826 8.2826 8.6545 8.6545 8.7363 8.7363 10.5747 10.5747 10.7645 10.7645 11.1859 11.1859 11.3062 11.3062 11.8334 11.8334 k =-0.4649 0.2650-0.0000 ( 4002 PWs) bands (ev): -4.5154 -4.5154 -0.5434 -0.5434 3.8009 3.8009 3.8197 3.8197 4.7419 4.7419 5.7170 5.7170 6.4379 6.4379 6.8627 6.8627 8.3062 8.3062 8.6341 8.6341 8.7674 8.7674 10.5029 10.5029 10.7801 10.7801 11.1228 11.1228 11.2415 11.2415 11.9445 11.9445 k =-0.4591 0.2880-0.0000 ( 4014 PWs) bands (ev): -4.4976 -4.4976 -0.5298 -0.5298 3.6437 3.6437 3.8395 3.8395 4.7544 4.7544 5.8079 5.8079 6.5007 6.5007 6.7941 6.7941 8.3348 8.3348 8.6047 8.6047 8.8077 8.8077 10.4339 10.4339 10.7981 10.7981 11.0536 11.0536 11.1737 11.1737 12.0560 12.0560 k =-0.4532 0.3110-0.0000 ( 4014 PWs) bands (ev): -4.4771 -4.4771 -0.5145 -0.5145 3.4852 3.4852 3.8626 3.8626 4.7688 4.7688 5.8880 5.8880 6.5728 6.5728 6.7183 6.7183 8.3687 8.3687 8.5690 8.5690 8.8540 8.8540 10.3690 10.3690 10.8180 10.8180 10.9801 10.9801 11.1039 11.1039 12.0239 12.0239 k =-0.4474 0.3339-0.0000 ( 4010 PWs) bands (ev): -4.4538 -4.4538 -0.4977 -0.4977 3.3268 3.3268 3.8887 3.8887 4.7851 4.7851 5.9580 5.9580 6.6314 6.6314 6.6564 6.6564 8.4076 8.4076 8.5282 8.5282 8.9054 8.9054 10.3088 10.3088 10.8374 10.8374 10.9050 10.9050 11.0334 11.0334 11.9194 11.9194 k =-0.4416 0.3569-0.0000 ( 4010 PWs) bands (ev): -4.4278 -4.4278 -0.4794 -0.4794 3.1694 3.1694 3.9177 3.9177 4.8033 4.8033 6.0198 6.0198 6.5466 6.5466 6.7358 6.7358 8.4465 8.4465 8.4881 8.4881 8.9610 8.9610 10.2536 10.2536 10.8164 10.8164 10.8659 10.8659 10.9663 10.9663 11.8104 11.8104 k =-0.4357 0.3798-0.0000 ( 4016 PWs) bands (ev): -4.3991 -4.3991 -0.4602 -0.4602 3.0137 3.0137 3.9493 3.9493 4.8233 4.8233 6.0755 6.0755 6.4538 6.4538 6.8190 6.8190 8.4228 8.4228 8.5117 8.5117 9.0206 9.0206 10.2034 10.2034 10.7394 10.7394 10.8532 10.8532 10.9288 10.9288 11.6989 11.6989 k =-0.4299 0.4028-0.0000 ( 4016 PWs) bands (ev): -4.3677 -4.3677 -0.4401 -0.4401 2.8603 2.8603 3.9836 3.9836 4.8451 4.8451 6.1269 6.1269 6.3566 6.3566 6.9003 6.9003 8.3684 8.3684 8.5671 8.5671 9.0839 9.0839 10.1581 10.1581 10.6593 10.6593 10.7927 10.7927 10.9436 10.9436 11.5859 11.5859 k =-0.4240 0.4257-0.0000 ( 4008 PWs) bands (ev): -4.3337 -4.3337 -0.4197 -0.4197 2.7099 2.7099 4.0204 4.0204 4.8688 4.8688 6.1750 6.1750 6.2562 6.2562 6.9775 6.9775 8.3085 8.3085 8.6289 8.6289 9.1506 9.1506 10.1174 10.1174 10.5791 10.5791 10.7208 10.7208 10.9721 10.9721 11.4721 11.4721 k =-0.4182 0.4487-0.0000 ( 4020 PWs) bands (ev): -4.2969 -4.2969 -0.3994 -0.3994 2.5632 2.5632 4.0594 4.0594 4.8943 4.8943 6.1515 6.1515 6.2228 6.2228 7.0495 7.0495 8.2447 8.2447 8.6949 8.6949 9.2207 9.2207 10.0808 10.0808 10.4997 10.4997 10.6479 10.6479 11.0046 11.0046 11.3583 11.3583 k =-0.4123 0.4716-0.0000 ( 4026 PWs) bands (ev): -4.2575 -4.2575 -0.3797 -0.3797 2.4209 2.4209 4.1004 4.1004 4.9215 4.9215 6.0461 6.0461 6.2675 6.2675 7.1157 7.1157 8.1777 8.1777 8.7632 8.7632 9.2938 9.2938 10.0478 10.0478 10.4216 10.4216 10.5763 10.5763 11.0390 11.0390 11.2452 11.2452 k =-0.4065 0.4946-0.0000 ( 4026 PWs) bands (ev): -4.2154 -4.2154 -0.3615 -0.3615 2.2839 2.2839 4.1431 4.1431 4.9506 4.9506 5.9390 5.9390 6.3116 6.3116 7.1761 7.1761 8.1080 8.1080 8.8318 8.8318 9.3700 9.3700 10.0179 10.0179 10.3453 10.3453 10.5079 10.5079 11.0710 11.0710 11.1371 11.1371 k =-0.4006 0.5175-0.0000 ( 4028 PWs) bands (ev): -4.1707 -4.1707 -0.3455 -0.3455 2.1531 2.1531 4.1870 4.1870 4.9813 4.9813 5.8313 5.8313 6.3549 6.3549 7.2308 7.2308 8.0362 8.0362 8.8981 8.8981 9.4490 9.4490 9.9905 9.9905 10.2712 10.2712 10.4445 10.4445 11.0132 11.0132 11.1213 11.1213 k =-0.3948 0.5405-0.0000 ( 4026 PWs) bands (ev): -4.1233 -4.1233 -0.3328 -0.3328 2.0297 2.0297 4.2315 4.2315 5.0138 5.0138 5.7239 5.7239 6.3971 6.3971 7.2806 7.2806 7.9627 7.9627 8.9593 8.9593 9.5306 9.5306 9.9650 9.9650 10.1994 10.1994 10.3884 10.3884 10.9044 10.9044 11.1593 11.1593 k =-0.3889 0.5635-0.0000 ( 4024 PWs) bands (ev): -4.0733 -4.0733 -0.3245 -0.3245 1.9149 1.9149 4.2755 4.2755 5.0479 5.0479 5.6181 5.6181 6.4381 6.4381 7.3262 7.3262 7.8880 7.8880 9.0121 9.0121 9.6145 9.6145 9.9408 9.9408 10.1303 10.1303 10.3421 10.3421 10.7953 10.7953 11.2007 11.2007 k =-0.3831 0.5864-0.0000 ( 4016 PWs) bands (ev): -4.0208 -4.0208 -0.3220 -0.3220 1.8100 1.8100 4.3178 4.3178 5.0836 5.0836 5.5157 5.5157 6.4775 6.4775 7.3682 7.3682 7.8123 7.8123 9.0534 9.0534 9.7005 9.7005 9.9175 9.9175 10.0642 10.0642 10.3080 10.3080 10.6876 10.6876 11.2440 11.2440 k =-0.3773 0.6094-0.0000 ( 4016 PWs) bands (ev): -3.9656 -3.9656 -0.3267 -0.3267 1.7167 1.7167 4.3561 4.3561 5.1210 5.1210 5.4188 5.4188 6.5148 6.5148 7.4076 7.4076 7.7361 7.7361 9.0806 9.0806 9.7881 9.7881 9.8944 9.8944 10.0012 10.0012 10.2883 10.2883 10.5818 10.5818 11.2890 11.2890 k =-0.3714 0.6323-0.0000 ( 4012 PWs) bands (ev): -3.9079 -3.9079 -0.3400 -0.3400 1.6364 1.6364 4.3872 4.3872 5.1599 5.1599 5.3311 5.3311 6.5494 6.5494 7.4449 7.4449 7.6596 7.6596 9.0925 9.0925 9.8708 9.8708 9.8766 9.8766 9.9420 9.9420 10.2838 10.2838 10.4784 10.4784 11.3358 11.3358 k =-0.3656 0.6553-0.0000 ( 4014 PWs) bands (ev): -3.8476 -3.8476 -0.3634 -0.3634 1.5704 1.5704 4.4066 4.4066 5.2000 5.2000 5.2575 5.2575 6.5807 6.5807 7.4808 7.4808 7.5833 7.5833 9.0895 9.0895 9.8457 9.8457 9.8865 9.8865 9.9658 9.9658 10.2928 10.2928 10.3796 10.3796 11.3846 11.3846 k =-0.3597 0.6782-0.0000 ( 4010 PWs) bands (ev): -3.7848 -3.7848 -0.3976 -0.3976 1.5196 1.5196 4.4085 4.4085 5.2020 5.2020 5.2434 5.2434 6.6079 6.6079 7.5033 7.5033 7.5196 7.5196 9.0737 9.0737 9.8145 9.8145 9.8403 9.8403 10.0514 10.0514 10.2719 10.2719 10.3291 10.3291 11.4354 11.4354 k =-0.3539 0.7012-0.0000 ( 4012 PWs) bands (ev): -3.7194 -3.7194 -0.4431 -0.4431 1.4846 1.4846 4.3880 4.3880 5.1731 5.1731 5.2864 5.2864 6.6302 6.6302 7.4300 7.4300 7.5518 7.5518 9.0484 9.0484 9.7728 9.7728 9.8068 9.8068 10.1116 10.1116 10.2076 10.2076 10.3596 10.3596 11.4883 11.4883 k =-0.3480 0.7241-0.0000 ( 4012 PWs) bands (ev): -3.6516 -3.6516 -0.5000 -0.5000 1.4653 1.4653 4.3433 4.3433 5.1705 5.1705 5.3312 5.3312 6.6470 6.6470 7.3546 7.3546 7.5865 7.5865 9.0172 9.0172 9.7287 9.7287 9.7779 9.7779 10.0590 10.0590 10.2526 10.2526 10.4019 10.4019 11.5435 11.5435 k =-0.3422 0.7471-0.0000 ( 4008 PWs) bands (ev): -3.5814 -3.5814 -0.5674 -0.5674 1.4609 1.4609 4.2773 4.2773 5.1918 5.1918 5.3775 5.3775 6.6573 6.6573 7.2796 7.2796 7.6212 7.6212 8.9840 8.9840 9.6868 9.6868 9.7487 9.7487 9.9708 9.9708 10.3320 10.3320 10.4495 10.4495 11.6011 11.6011 k =-0.3363 0.7700-0.0000 ( 4012 PWs) bands (ev): -3.5086 -3.5086 -0.6443 -0.6443 1.4705 1.4705 4.1951 4.1951 5.2320 5.2320 5.4252 5.4252 6.6607 6.6607 7.2054 7.2054 7.6557 7.6557 8.9518 8.9518 9.6483 9.6483 9.7183 9.7183 9.8808 9.8808 10.4109 10.4109 10.4999 10.4999 11.6610 11.6610 k =-0.3305 0.7930-0.0000 ( 4012 PWs) bands (ev): -3.4335 -3.4335 -0.7295 -0.7295 1.4927 1.4927 4.1019 4.1019 5.2861 5.2861 5.4741 5.4741 6.6566 6.6566 7.1318 7.1318 7.6897 7.6897 8.9238 8.9238 9.6132 9.6132 9.6862 9.6862 9.7924 9.7924 10.4844 10.4844 10.5512 10.5512 11.7232 11.7232 k =-0.3247 0.8160-0.0000 ( 4008 PWs) bands (ev): -3.3560 -3.3560 -0.8214 -0.8214 1.5261 1.5261 4.0013 4.0013 5.3504 5.3504 5.5244 5.5244 6.6445 6.6445 7.0591 7.0591 7.7227 7.7227 8.9022 8.9022 9.5816 9.5816 9.6513 9.6513 9.7076 9.7076 10.5497 10.5497 10.6019 10.6019 11.7877 11.7877 k =-0.3188 0.8389-0.0000 ( 4016 PWs) bands (ev): -3.2762 -3.2762 -0.9188 -0.9188 1.5693 1.5693 3.8961 3.8961 5.4223 5.4223 5.5759 5.5759 6.6242 6.6242 6.9872 6.9872 7.7543 7.7543 8.8891 8.8891 9.5526 9.5526 9.6053 9.6053 9.6362 9.6362 10.6045 10.6045 10.6508 10.6508 11.8543 11.8543 k =-0.3130 0.8619-0.0000 ( 4016 PWs) bands (ev): -3.1940 -3.1940 -1.0204 -1.0204 1.6211 1.6211 3.7881 3.7881 5.5000 5.5000 5.6285 5.6285 6.5956 6.5956 6.9162 6.9162 7.7840 7.7840 8.8858 8.8858 9.5157 9.5157 9.5447 9.5447 9.5925 9.5925 10.6466 10.6466 10.6967 10.6967 11.9229 11.9229 k =-0.3071 0.8848-0.0000 ( 4028 PWs) bands (ev): -3.1096 -3.1096 -1.1253 -1.1253 1.6804 1.6804 3.6785 3.6785 5.5823 5.5823 5.6823 5.6823 6.5590 6.5590 6.8461 6.8461 7.8117 7.8117 8.8932 8.8932 9.4449 9.4449 9.5164 9.5164 9.5560 9.5560 10.6739 10.6739 10.7392 10.7392 11.9931 11.9931 k =-0.3013 0.9078-0.0000 ( 4028 PWs) bands (ev): -3.0229 -3.0229 -1.2324 -1.2324 1.7463 1.7463 3.5682 3.5682 5.6684 5.6684 5.7373 5.7373 6.5145 6.5145 6.7769 6.7769 7.8372 7.8372 8.9116 8.9116 9.3678 9.3678 9.4983 9.4983 9.5214 9.5214 10.6847 10.6847 10.7781 10.7781 12.0646 12.0646 k =-0.2954 0.9307-0.0000 ( 4032 PWs) bands (ev): -2.9341 -2.9341 -1.3410 -1.3410 1.8181 1.8181 3.4577 3.4577 5.7576 5.7576 5.7933 5.7933 6.4626 6.4626 6.7085 6.7085 7.8610 7.8610 8.9407 8.9407 9.2918 9.2918 9.4777 9.4777 9.4946 9.4946 10.6783 10.6783 10.8133 10.8133 12.1366 12.1366 k =-0.2896 0.9537-0.0000 ( 4036 PWs) bands (ev): -2.8431 -2.8431 -1.4505 -1.4505 1.8949 1.8949 3.3476 3.3476 5.8492 5.8492 5.8506 5.8506 6.4039 6.4039 6.6411 6.6411 7.8834 7.8834 8.9796 8.9796 9.2176 9.2176 9.4462 9.4462 9.4836 9.4836 10.6553 10.6553 10.8447 10.8447 12.2061 12.2062 k =-0.2837 0.9766-0.0000 ( 4032 PWs) bands (ev): -2.7501 -2.7501 -1.5604 -1.5604 1.9764 1.9764 3.2383 3.2383 5.9082 5.9082 5.9436 5.9436 6.3392 6.3392 6.5745 6.5745 7.9051 7.9051 9.0274 9.0274 9.1456 9.1456 9.4129 9.4129 9.4793 9.4793 10.6173 10.6173 10.8720 10.8720 12.2474 12.2474 k =-0.2779 0.9996-0.0000 ( 4028 PWs) bands (ev): -2.6550 -2.6550 -1.6703 -1.6703 2.0619 2.0619 3.1300 3.1300 5.9672 5.9672 6.0395 6.0395 6.2692 6.2692 6.5088 6.5088 7.9266 7.9266 9.0754 9.0754 9.0832 9.0832 9.3805 9.3805 9.4793 9.4793 10.5666 10.5666 10.8949 10.8949 12.2606 12.2606 k =-0.2721 1.0226-0.0000 ( 4028 PWs) bands (ev): -2.5580 -2.5580 -1.7797 -1.7797 2.1512 2.1512 3.0231 3.0231 6.0269 6.0269 6.1368 6.1368 6.1946 6.1946 6.4439 6.4439 7.9485 7.9485 9.0082 9.0082 9.1447 9.1447 9.3496 9.3496 9.4834 9.4834 10.5054 10.5054 10.9132 10.9132 12.2731 12.2731 k =-0.2662 1.0455-0.0000 ( 4024 PWs) bands (ev): -2.4591 -2.4591 -1.8885 -1.8885 2.2438 2.2438 2.9178 2.9178 6.0860 6.0860 6.1177 6.1177 6.2353 6.2353 6.3800 6.3800 7.9713 7.9713 8.9431 8.9431 9.2116 9.2116 9.3206 9.3206 9.4913 9.4913 10.4359 10.4359 10.9269 10.9269 12.2874 12.2874 k =-0.2662 1.0455-0.0000 ( 4024 PWs) bands (ev): -2.4591 -2.4591 -1.8885 -1.8885 2.2438 2.2438 2.9178 2.9178 6.0860 6.0860 6.1177 6.1177 6.2353 6.2353 6.3800 6.3800 7.9713 7.9713 8.9431 8.9431 9.2116 9.2116 9.3206 9.3206 9.4913 9.4913 10.4359 10.4359 10.9269 10.9269 12.2874 12.2874 k =-0.2662 1.0455 0.0239 ( 4028 PWs) bands (ev): -2.4578 -2.4578 -1.8872 -1.8872 2.2442 2.2442 2.9177 2.9177 6.0649 6.0649 6.1263 6.1263 6.2332 6.2332 6.3715 6.3715 7.9782 7.9782 8.9524 8.9524 9.2006 9.2006 9.3148 9.3148 9.5098 9.5098 10.4433 10.4433 10.9274 10.9274 12.2880 12.2880 k =-0.2662 1.0455 0.0478 ( 4031 PWs) bands (ev): -2.4540 -2.4540 -1.8834 -1.8834 2.2451 2.2451 2.9176 2.9176 6.0194 6.0194 6.1347 6.1347 6.2258 6.2258 6.3479 6.3479 7.9980 7.9980 8.9797 8.9797 9.1735 9.1735 9.2983 9.2983 9.5592 9.5592 10.4650 10.4650 10.9291 10.9291 12.2901 12.2901 k =-0.2662 1.0455 0.0717 ( 4025 PWs) bands (ev): -2.4475 -2.4475 -1.8771 -1.8771 2.2465 2.2465 2.9174 2.9174 5.9567 5.9567 6.1382 6.1382 6.2076 6.2076 6.3161 6.3161 8.0290 8.0290 9.0228 9.0228 9.1400 9.1400 9.2728 9.2728 9.6300 9.6300 10.4991 10.4991 10.9317 10.9317 12.2938 12.2938 k =-0.2662 1.0455 0.0955 ( 4033 PWs) bands (ev): -2.4385 -2.4385 -1.8682 -1.8682 2.2485 2.2485 2.9169 2.9169 5.8787 5.8787 6.1376 6.1376 6.1683 6.1683 6.2887 6.2887 8.0686 8.0686 9.0755 9.0755 9.1078 9.1078 9.2421 9.2421 9.7167 9.7167 10.5434 10.5434 10.9351 10.9351 12.2998 12.2998 k =-0.2662 1.0455 0.1194 ( 4035 PWs) bands (ev): -2.4270 -2.4270 -1.8569 -1.8569 2.2507 2.2507 2.9160 2.9160 5.7878 5.7878 6.1037 6.1037 6.1344 6.1344 6.2720 6.2720 8.1140 8.1140 9.0674 9.0674 9.1369 9.1369 9.2180 9.2180 9.8166 9.8166 10.5950 10.5950 10.9391 10.9391 12.3087 12.3087 k =-0.2662 1.0455 0.1433 ( 4031 PWs) bands (ev): -2.4128 -2.4128 -1.8430 -1.8430 2.2531 2.2531 2.9146 2.9146 5.6867 5.6867 6.0216 6.0216 6.1283 6.1283 6.2613 6.2613 8.1630 8.1630 9.0356 9.0356 9.1374 9.1374 9.2541 9.2541 9.9281 9.9281 10.6513 10.6513 10.9437 10.9437 12.3214 12.3214 k =-0.2662 1.0455 0.1672 ( 4031 PWs) bands (ev): -2.3962 -2.3962 -1.8265 -1.8265 2.2553 2.2553 2.9123 2.9123 5.5778 5.5778 5.9280 5.9280 6.1201 6.1201 6.2527 6.2527 8.2138 8.2138 9.0055 9.0055 9.1012 9.1012 9.3327 9.3327 10.0500 10.0500 10.7097 10.7097 10.9486 10.9486 12.3388 12.3388 k =-0.2662 1.0455 0.1911 ( 4031 PWs) bands (ev): -2.3769 -2.3769 -1.8076 -1.8076 2.2572 2.2572 2.9090 2.9090 5.4635 5.4635 5.8270 5.8270 6.1098 6.1098 6.2440 6.2440 8.2653 8.2653 8.9778 8.9778 9.0604 9.0604 9.4205 9.4205 10.1809 10.1809 10.7677 10.7677 10.9540 10.9540 12.3619 12.3620 k =-0.2662 1.0455 0.2150 ( 4029 PWs) bands (ev): -2.3551 -2.3551 -1.7862 -1.7862 2.2583 2.2583 2.9042 2.9042 5.3459 5.3459 5.7214 5.7214 6.0975 6.0975 6.2343 6.2343 8.3166 8.3166 8.9530 8.9530 9.0201 9.0201 9.5115 9.5115 10.3191 10.3191 10.8228 10.8228 10.9602 10.9602 12.3916 12.3916 k =-0.2662 1.0455 0.2388 ( 4029 PWs) bands (ev): -2.3308 -2.3308 -1.7623 -1.7623 2.2583 2.2583 2.8977 2.8977 5.2268 5.2268 5.6133 5.6133 6.0832 6.0832 6.2231 6.2231 8.3672 8.3672 8.9314 8.9314 8.9825 8.9825 9.6033 9.6033 10.4624 10.4624 10.8728 10.8728 10.9685 10.9685 12.4281 12.4282 k =-0.2662 1.0455 0.2627 ( 4035 PWs) bands (ev): -2.3040 -2.3040 -1.7358 -1.7358 2.2567 2.2567 2.8888 2.8888 5.1077 5.1077 5.5046 5.5046 6.0668 6.0668 6.2098 6.2098 8.4169 8.4169 8.9133 8.9133 8.9486 8.9486 9.6943 9.6943 10.6069 10.6069 10.9152 10.9152 10.9820 10.9820 12.4712 12.4713 k =-0.2662 1.0455 0.2866 ( 4029 PWs) bands (ev): -2.2746 -2.2746 -1.7069 -1.7069 2.2530 2.2530 2.8771 2.8771 4.9902 4.9902 5.3966 5.3966 6.0483 6.0483 6.1942 6.1942 8.4654 8.4654 8.8992 8.8992 8.9197 8.9197 9.7833 9.7833 10.7430 10.7430 10.9497 10.9497 11.0078 11.0078 12.5200 12.5208 k =-0.2662 1.0455 0.3105 ( 4031 PWs) bands (ev): -2.2426 -2.2426 -1.6755 -1.6755 2.2464 2.2464 2.8621 2.8621 4.8756 4.8756 5.2910 5.2910 6.0276 6.0276 6.1759 6.1759 8.5123 8.5123 8.8877 8.8877 8.8984 8.8984 9.8695 9.8695 10.8452 10.8452 10.9817 10.9817 11.0640 11.0640 12.5622 12.5626 k =-0.2662 1.0455 0.3344 ( 4033 PWs) bands (ev): -2.2082 -2.2082 -1.6417 -1.6417 2.2364 2.2364 2.8430 2.8430 4.7651 4.7651 5.1888 5.1888 6.0048 6.0048 6.1546 6.1546 8.5570 8.5570 8.8738 8.8738 8.8915 8.8915 9.9521 9.9521 10.8916 10.8916 11.0075 11.0075 11.1743 11.1743 12.5765 12.5765 k =-0.2662 1.0455 0.3583 ( 4033 PWs) bands (ev): -2.1713 -2.1713 -1.6054 -1.6054 2.2222 2.2222 2.8194 2.8194 4.6600 4.6600 5.0914 5.0914 5.9799 5.9799 6.1303 6.1303 8.5986 8.5986 8.8626 8.8626 8.8955 8.8955 10.0308 10.0308 10.9078 10.9078 11.0230 11.0230 11.3159 11.3159 12.5915 12.5915 k =-0.2662 1.0455 0.3821 ( 4041 PWs) bands (ev): -2.1319 -2.1319 -1.5667 -1.5667 2.2029 2.2029 2.7904 2.7904 4.5614 4.5614 4.9997 4.9997 5.9529 5.9529 6.1027 6.1027 8.6362 8.6362 8.8575 8.8575 8.9085 8.9085 10.1051 10.1051 10.9140 10.9140 11.0300 11.0300 11.4654 11.4654 12.6103 12.6103 k =-0.2662 1.0455 0.4060 ( 4037 PWs) bands (ev): -2.0899 -2.0899 -1.5255 -1.5255 2.1779 2.1779 2.7556 2.7556 4.4704 4.4704 4.9147 4.9147 5.9238 5.9238 6.0719 6.0719 8.6689 8.6689 8.8591 8.8591 8.9313 8.9313 10.1749 10.1749 10.9163 10.9163 11.0304 11.0304 11.6133 11.6133 12.6337 12.6337 k =-0.2662 1.0455 0.4299 ( 4035 PWs) bands (ev): -2.0456 -2.0456 -1.4819 -1.4819 2.1463 2.1463 2.7143 2.7143 4.3879 4.3879 4.8372 4.8372 5.8928 5.8928 6.0378 6.0378 8.6969 8.6969 8.8676 8.8676 8.9638 8.9638 10.2400 10.2400 10.9169 10.9169 11.0251 11.0251 11.7543 11.7543 12.6615 12.6615 k =-0.2662 1.0455 0.4538 ( 4034 PWs) bands (ev): -1.9987 -1.9987 -1.4360 -1.4360 2.1076 2.1076 2.6662 2.6662 4.3148 4.3148 4.7678 4.7678 5.8599 5.8599 6.0006 6.0006 8.7213 8.7213 8.8829 8.8829 9.0050 9.0050 10.3003 10.3003 10.9167 10.9167 11.0152 11.0152 11.8842 11.8842 12.6828 12.6828 k =-0.2662 1.0455 0.4777 ( 4032 PWs) bands (ev): -1.9495 -1.9495 -1.3876 -1.3876 2.0614 2.0614 2.6112 2.6112 4.2516 4.2516 4.7069 4.7069 5.8253 5.8253 5.9603 5.9603 8.7435 8.7435 8.9049 8.9049 9.0533 9.0533 10.3556 10.3556 10.9161 10.9161 11.0018 11.0018 11.9990 11.9990 12.6700 12.6700 k =-0.2662 1.0455 0.5016 ( 4034 PWs) bands (ev): -1.8978 -1.8978 -1.3369 -1.3369 2.0074 2.0074 2.5491 2.5491 4.1987 4.1987 4.6547 4.6547 5.7890 5.7890 5.9173 5.9173 8.7652 8.7652 8.9335 8.9335 9.1072 9.1072 10.4060 10.4060 10.9149 10.9149 10.9863 10.9863 12.0957 12.0957 12.6383 12.6383 k =-0.2662 1.0455 0.5254 ( 4036 PWs) bands (ev): -1.8437 -1.8437 -1.2839 -1.2839 1.9456 1.9456 2.4802 2.4802 4.1561 4.1561 4.6110 4.6110 5.7513 5.7513 5.8716 5.8716 8.7874 8.7874 8.9683 8.9683 9.1653 9.1653 10.4514 10.4514 10.9117 10.9117 10.9707 10.9707 12.1732 12.1732 12.5999 12.5999 k =-0.2662 1.0455 0.5493 ( 4038 PWs) bands (ev): -1.7872 -1.7872 -1.2286 -1.2286 1.8763 1.8763 2.4048 2.4048 4.1235 4.1235 4.5757 4.5757 5.7124 5.7124 5.8236 5.8236 8.8110 8.8110 9.0090 9.0090 9.2267 9.2267 10.4917 10.4917 10.9032 10.9032 10.9591 10.9591 12.2323 12.2323 12.5590 12.5590 k =-0.2662 1.0455 0.5732 ( 4040 PWs) bands (ev): -1.7283 -1.7283 -1.1710 -1.1710 1.8002 1.8002 2.3234 2.3234 4.1007 4.1007 4.5482 4.5482 5.6723 5.6723 5.7735 5.7735 8.8362 8.8362 9.0552 9.0552 9.2906 9.2906 10.5268 10.5268 10.8866 10.8866 10.9551 10.9551 12.2753 12.2753 12.5183 12.5183 k =-0.2662 1.0455 0.5971 ( 4032 PWs) bands (ev): -1.6671 -1.6671 -1.1111 -1.1111 1.7177 1.7177 2.2368 2.2368 4.0868 4.0868 4.5281 4.5281 5.6312 5.6312 5.7216 5.7216 8.8636 8.8636 9.1064 9.1064 9.3564 9.3564 10.5567 10.5567 10.8634 10.8634 10.9577 10.9577 12.3047 12.3047 12.4796 12.4796 k =-0.2662 1.0455 0.6210 ( 4030 PWs) bands (ev): -1.6036 -1.6036 -1.0491 -1.0491 1.6297 1.6297 2.1456 2.1456 4.0812 4.0812 4.5146 4.5146 5.5893 5.5893 5.6682 5.6682 8.8930 8.8930 9.1620 9.1620 9.4235 9.4235 10.5810 10.5810 10.8365 10.8365 10.9647 10.9647 12.3222 12.3222 12.4448 12.4448 k =-0.2662 1.0455 0.6449 ( 4032 PWs) bands (ev): -1.5378 -1.5378 -0.9848 -0.9848 1.5371 1.5371 2.0504 2.0504 4.0831 4.0831 4.5071 4.5071 5.5468 5.5468 5.6136 5.6136 8.9247 8.9247 9.2214 9.2214 9.4916 9.4916 10.5995 10.5995 10.8078 10.8078 10.9747 10.9747 12.3290 12.3290 12.4153 12.4153 k =-0.2662 1.0455 0.6687 ( 4022 PWs) bands (ev): -1.4697 -1.4697 -0.9185 -0.9185 1.4406 1.4406 1.9521 1.9521 4.0916 4.0916 4.5049 4.5049 5.5038 5.5038 5.5581 5.5581 8.9586 8.9586 9.2837 9.2837 9.5600 9.5600 10.6112 10.6112 10.7793 10.7793 10.9872 10.9872 12.3259 12.3259 12.3923 12.3923 k =-0.2662 1.0455 0.6926 ( 4023 PWs) bands (ev): -1.3994 -1.3994 -0.8502 -0.8502 1.3411 1.3411 1.8511 1.8511 4.1061 4.1061 4.5075 4.5075 5.4604 5.4604 5.5020 5.5020 8.9946 8.9946 9.3483 9.3483 9.6282 9.6282 10.6146 10.6146 10.7534 10.7534 11.0017 11.0017 12.3157 12.3157 12.3746 12.3746 k =-0.2662 1.0455 0.7165 ( 4023 PWs) bands (ev): -1.3268 -1.3268 -0.7800 -0.7800 1.2393 1.2393 1.7483 1.7483 4.1258 4.1258 4.5142 4.5142 5.4165 5.4165 5.4458 5.4458 9.0327 9.0327 9.4140 9.4140 9.6958 9.6958 10.6076 10.6076 10.7330 10.7330 11.0178 11.0178 12.3028 12.3028 12.3592 12.3592 k =-0.2662 1.0455 0.7404 ( 4028 PWs) bands (ev): -1.2522 -1.2522 -0.7079 -0.7079 1.1360 1.1360 1.6440 1.6440 4.1501 4.1501 4.5245 4.5245 5.3716 5.3716 5.3904 5.3904 9.0728 9.0728 9.4797 9.4797 9.7622 9.7622 10.5896 10.5896 10.7200 10.7200 11.0347 11.0347 12.2904 12.2904 12.3444 12.3444 k =-0.2662 1.0455 0.7643 ( 4024 PWs) bands (ev): -1.1755 -1.1755 -0.6342 -0.6342 1.0317 1.0317 1.5388 1.5388 4.1784 4.1784 4.5378 4.5378 5.3232 5.3232 5.3386 5.3386 9.1147 9.1147 9.5440 9.5440 9.8270 9.8270 10.5634 10.5634 10.7130 10.7130 11.0516 11.0516 12.2798 12.2798 12.3306 12.3306 k =-0.2662 1.0455 0.7882 ( 4012 PWs) bands (ev): -1.0967 -1.0967 -0.5590 -0.5590 0.9274 0.9274 1.4331 1.4331 4.2101 4.2101 4.5538 4.5538 5.2698 5.2698 5.2926 5.2926 9.1583 9.1583 9.6049 9.6049 9.8896 9.8896 10.5333 10.5333 10.7094 10.7094 11.0674 11.0674 12.2708 12.2708 12.3199 12.3199 k =-0.2662 1.0455 0.8120 ( 4017 PWs) bands (ev): -1.0160 -1.0160 -0.4829 -0.4829 0.8235 0.8235 1.3274 1.3274 4.2448 4.2448 4.5718 4.5718 5.2147 5.2147 5.2493 5.2493 9.2036 9.2036 9.6602 9.6602 9.9497 9.9497 10.5029 10.5029 10.7078 10.7078 11.0805 11.0805 12.2630 12.2630 12.3140 12.3140 k =-0.2662 1.0455 0.8359 ( 4011 PWs) bands (ev): -0.9334 -0.9334 -0.4062 -0.4062 0.7212 0.7212 1.2220 1.2220 4.2821 4.2821 4.5914 4.5914 5.1600 5.1600 5.2072 5.2072 9.2503 9.2503 9.7074 9.7074 10.0069 10.0069 10.4750 10.4750 10.7083 10.7083 11.0893 11.0893 12.2575 12.2575 12.3136 12.3136 k =-0.2662 1.0455 0.8598 ( 4011 PWs) bands (ev): -0.8491 -0.8491 -0.3300 -0.3300 0.6216 0.6216 1.1172 1.1172 4.3217 4.3217 4.6118 4.6118 5.1066 5.1066 5.1661 5.1661 9.2982 9.2982 9.7435 9.7435 10.0609 10.0609 10.4514 10.4514 10.7116 10.7116 11.0923 11.0923 12.2561 12.2561 12.3177 12.3177 k =-0.2662 1.0455 0.8837 ( 4014 PWs) bands (ev): -0.7632 -0.7632 -0.2562 -0.2562 0.5268 0.5268 1.0135 1.0135 4.3630 4.3630 4.6323 4.6323 5.0555 5.0555 5.1261 5.1261 9.3471 9.3471 9.7661 9.7661 10.1113 10.1113 10.4331 10.4331 10.7191 10.7191 11.0880 11.0880 12.2604 12.2604 12.3250 12.3250 k =-0.2662 1.0455 0.9076 ( 4008 PWs) bands (ev): -0.6760 -0.6760 -0.1882 -0.1882 0.4405 0.4405 0.9112 0.9112 4.4057 4.4057 4.6513 4.6513 5.0080 5.0080 5.0873 5.0873 9.3967 9.3967 9.7740 9.7740 10.1579 10.1579 10.4196 10.4196 10.7325 10.7325 11.0756 11.0756 12.2707 12.2707 12.3342 12.3342 k =-0.2662 1.0455 0.9315 ( 4016 PWs) bands (ev): -0.5877 -0.5877 -0.1336 -0.1336 0.3704 0.3704 0.8108 0.8108 4.4494 4.4494 4.6665 4.6665 4.9665 4.9665 5.0501 5.0501 9.4467 9.4467 9.7673 9.7673 10.2005 10.2005 10.4087 10.4087 10.7532 10.7532 11.0549 11.0549 12.2863 12.2863 12.3439 12.3439 k =-0.2662 1.0455 0.9553 ( 4016 PWs) bands (ev): -0.4990 -0.4990 -0.1061 -0.1061 0.3303 0.3303 0.7129 0.7129 4.4935 4.4935 4.6740 4.6740 4.9348 4.9348 5.0149 5.0149 9.4966 9.4966 9.7480 9.7480 10.2388 10.2388 10.3981 10.3981 10.7816 10.7816 11.0265 11.0265 12.3049 12.3049 12.3525 12.3525 k =-0.2662 1.0455 0.9792 ( 4028 PWs) bands (ev): -0.4105 -0.4105 -0.1193 -0.1193 0.3340 0.3340 0.6183 0.6183 4.5372 4.5372 4.6692 4.6692 4.9176 4.9176 4.9825 4.9825 9.5460 9.5460 9.7187 9.7187 10.2721 10.2721 10.3858 10.3858 10.8163 10.8163 10.9921 10.9921 12.3233 12.3233 12.3586 12.3586 k =-0.2662 1.0455 1.0031 ( 4028 PWs) bands (ev): -0.3238 -0.3238 -0.1696 -0.1696 0.3779 0.3779 0.5286 0.5286 4.5790 4.5790 4.6503 4.6503 4.9167 4.9167 4.9541 4.9541 9.5940 9.5940 9.6818 9.6818 10.2983 10.2983 10.3726 10.3726 10.8540 10.8540 10.9550 10.9550 12.3380 12.3380 12.3612 12.3612 k =-0.2662 1.0455 1.0270 ( 4030 PWs) bands (ev): -0.2437 -0.2437 -0.2394 -0.2394 0.4448 0.4448 0.4482 0.4482 4.6104 4.6104 4.6261 4.6261 4.9257 4.9257 4.9356 4.9356 9.6393 9.6393 9.6402 9.6402 10.3101 10.3101 10.3652 10.3652 10.8786 10.8786 10.9306 10.9306 12.3441 12.3441 12.3612 12.3612 k =-0.2662 1.0455 1.0270 ( 4030 PWs) bands (ev): -0.2437 -0.2437 -0.2394 -0.2394 0.4448 0.4448 0.4482 0.4482 4.6104 4.6104 4.6261 4.6261 4.9257 4.9257 4.9356 4.9356 9.6393 9.6393 9.6402 9.6402 10.3101 10.3101 10.3652 10.3652 10.8786 10.8786 10.9306 10.9306 12.3441 12.3441 12.3612 12.3612 k =-0.2721 1.0226 1.0270 ( 4030 PWs) bands (ev): -0.3189 -0.3189 -0.3141 -0.3141 0.5302 0.5302 0.5337 0.5337 4.5789 4.5789 4.5968 4.5968 4.9562 4.9562 4.9681 4.9681 9.6875 9.6875 9.6877 9.6877 10.2829 10.2829 10.3386 10.3386 10.8163 10.8163 10.8675 10.8675 12.3468 12.3468 12.3611 12.3611 k =-0.2779 0.9996 1.0270 ( 4034 PWs) bands (ev): -0.3979 -0.3979 -0.3926 -0.3926 0.6225 0.6225 0.6258 0.6258 4.5456 4.5456 4.5646 4.5646 4.9921 4.9921 5.0048 5.0048 9.7304 9.7304 9.7314 9.7314 10.2509 10.2509 10.3068 10.3068 10.7549 10.7549 10.8038 10.8038 12.3485 12.3485 12.3613 12.3613 k =-0.2837 0.9766 1.0270 ( 4022 PWs) bands (ev): -0.4782 -0.4782 -0.4726 -0.4726 0.7190 0.7190 0.7219 0.7219 4.5120 4.5120 4.5316 4.5316 5.0315 5.0315 5.0446 5.0446 9.7668 9.7668 9.7694 9.7694 10.2128 10.2128 10.2675 10.2675 10.7000 10.7000 10.7443 10.7443 12.3499 12.3499 12.3622 12.3622 k =-0.2896 0.9537 1.0270 ( 4022 PWs) bands (ev): -0.5585 -0.5585 -0.5527 -0.5527 0.8182 0.8182 0.8207 0.8207 4.4790 4.4790 4.4987 4.4987 5.0734 5.0734 5.0865 5.0865 9.7953 9.7953 9.7999 9.7999 10.1672 10.1672 10.2187 10.2187 10.6571 10.6571 10.6938 10.6938 12.3516 12.3516 12.3644 12.3644 k =-0.2954 0.9307 1.0270 ( 4026 PWs) bands (ev): -0.6381 -0.6381 -0.6321 -0.6321 0.9192 0.9192 0.9213 0.9213 4.4474 4.4474 4.4669 4.4669 5.1173 5.1173 5.1302 5.1302 9.8140 9.8140 9.8213 9.8213 10.1127 10.1127 10.1593 10.1593 10.6300 10.6300 10.6566 10.6566 12.3541 12.3541 12.3684 12.3684 k =-0.3013 0.9078 1.0270 ( 4022 PWs) bands (ev): -0.7165 -0.7165 -0.7105 -0.7105 1.0214 1.0214 1.0229 1.0229 4.4175 4.4175 4.4367 4.4367 5.1627 5.1627 5.1753 5.1753 9.8213 9.8213 9.8320 9.8320 10.0498 10.0498 10.0915 10.0915 10.6197 10.6197 10.6353 10.6353 12.3576 12.3576 12.3742 12.3742 k =-0.3071 0.8848 1.0270 ( 4022 PWs) bands (ev): -0.7935 -0.7935 -0.7874 -0.7874 1.1243 1.1243 1.1251 1.1251 4.3899 4.3899 4.4085 4.4085 5.2094 5.2094 5.2216 5.2216 9.8148 9.8148 9.8297 9.8297 9.9815 9.9815 10.0197 10.0197 10.6248 10.6248 10.6298 10.6298 12.3624 12.3624 12.3817 12.3817 k =-0.3130 0.8619 1.0270 ( 4030 PWs) bands (ev): -0.8689 -0.8689 -0.8627 -0.8627 1.2273 1.2273 1.2273 1.2273 4.3649 4.3649 4.3829 4.3829 5.2573 5.2573 5.2690 5.2690 9.7904 9.7904 9.8092 9.8092 9.9157 9.9157 9.9516 9.9516 10.6384 10.6384 10.6424 10.6424 12.3681 12.3681 12.3908 12.3908 k =-0.3188 0.8389 1.0270 ( 4026 PWs) bands (ev): -0.9425 -0.9425 -0.9362 -0.9362 1.3292 1.3292 1.3299 1.3299 4.3431 4.3431 4.3603 4.3603 5.3061 5.3061 5.3173 5.3173 9.7427 9.7427 9.7600 9.7600 9.8661 9.8661 9.8962 9.8962 10.6584 10.6584 10.6697 10.6697 12.3744 12.3744 12.4008 12.4008 k =-0.3247 0.8160 1.0270 ( 4026 PWs) bands (ev): -1.0142 -1.0142 -1.0079 -1.0079 1.4301 1.4301 1.4317 1.4317 4.3249 4.3249 4.3411 4.3411 5.3557 5.3557 5.3664 5.3664 9.6739 9.6739 9.6866 9.6866 9.8317 9.8317 9.8543 9.8543 10.6870 10.6870 10.7042 10.7042 12.3807 12.3807 12.4111 12.4111 k =-0.3305 0.7930 1.0270 ( 4018 PWs) bands (ev): -1.0839 -1.0839 -1.0776 -1.0776 1.5296 1.5296 1.5322 1.5322 4.3108 4.3108 4.3259 4.3259 5.4060 5.4060 5.4162 5.4162 9.5937 9.5937 9.6035 9.6035 9.8007 9.8007 9.8187 9.8187 10.7217 10.7217 10.7438 10.7438 12.3862 12.3862 12.4206 12.4206 k =-0.3363 0.7700 1.0270 ( 4030 PWs) bands (ev): -1.1516 -1.1516 -1.1453 -1.1453 1.6271 1.6271 1.6306 1.6306 4.3013 4.3013 4.3153 4.3153 5.4568 5.4568 5.4666 5.4666 9.5091 9.5091 9.5178 9.5178 9.7686 9.7686 9.7843 9.7843 10.7607 10.7607 10.7868 10.7868 12.3898 12.3898 12.4282 12.4282 k =-0.3422 0.7471 1.0270 ( 4030 PWs) bands (ev): -1.2172 -1.2172 -1.2110 -1.2110 1.7218 1.7218 1.7266 1.7266 4.2972 4.2972 4.3097 4.3097 5.5081 5.5081 5.5174 5.5174 9.4238 9.4238 9.4320 9.4320 9.7345 9.7345 9.7492 9.7492 10.8023 10.8023 10.8318 10.8318 12.3901 12.3901 12.4323 12.4323 k =-0.3480 0.7241 1.0270 ( 4030 PWs) bands (ev): -1.2806 -1.2806 -1.2745 -1.2745 1.8133 1.8133 1.8192 1.8192 4.2989 4.2989 4.3100 4.3100 5.5597 5.5597 5.5685 5.5685 9.3396 9.3396 9.3477 9.3477 9.6985 9.6985 9.7128 9.7128 10.8454 10.8454 10.8779 10.8779 12.3857 12.3857 12.4312 12.4312 k =-0.3539 0.7012 1.0270 ( 4030 PWs) bands (ev): -1.3419 -1.3419 -1.3359 -1.3359 1.9008 1.9008 1.9079 1.9079 4.3072 4.3072 4.3167 4.3167 5.6115 5.6115 5.6197 5.6197 9.2575 9.2575 9.2658 9.2658 9.6606 9.6606 9.6751 9.6751 10.8890 10.8890 10.9242 10.9242 12.3747 12.3747 12.4227 12.4227 k =-0.3597 0.6782 1.0270 ( 4026 PWs) bands (ev): -1.4009 -1.4009 -1.3950 -1.3950 1.9836 1.9836 1.9920 1.9920 4.3228 4.3228 4.3305 4.3305 5.6632 5.6632 5.6710 5.6710 9.1782 9.1782 9.1867 9.1867 9.6214 9.6214 9.6361 9.6361 10.9322 10.9322 10.9699 10.9699 12.3551 12.3551 12.4044 12.4044 k =-0.3656 0.6553 1.0270 ( 4022 PWs) bands (ev): -1.4577 -1.4577 -1.4519 -1.4519 2.0610 2.0610 2.0706 2.0706 4.3461 4.3461 4.3522 4.3522 5.7147 5.7147 5.7220 5.7220 9.1022 9.1022 9.1111 9.1111 9.5809 9.5809 9.5960 9.5960 10.9744 10.9744 11.0144 11.0144 12.3246 12.3246 12.3740 12.3740 k =-0.3714 0.6323 1.0270 ( 4018 PWs) bands (ev): -1.5123 -1.5123 -1.5066 -1.5066 2.1325 2.1325 2.1433 2.1433 4.3779 4.3779 4.3822 4.3822 5.7658 5.7658 5.7727 5.7727 9.0299 9.0299 9.0392 9.0392 9.5395 9.5395 9.5550 9.5550 11.0147 11.0147 11.0570 11.0570 12.2811 12.2811 12.3292 12.3292 k =-0.3773 0.6094 1.0270 ( 4022 PWs) bands (ev): -1.5645 -1.5645 -1.5590 -1.5590 2.1975 2.1975 2.2095 2.2095 4.4184 4.4184 4.4210 4.4210 5.8163 5.8163 5.8228 5.8228 8.9615 8.9615 8.9713 8.9713 9.4972 9.4972 9.5132 9.5132 11.0523 11.0523 11.0968 11.0968 12.2231 12.2231 12.2686 12.2686 k =-0.3831 0.5864 1.0270 ( 4022 PWs) bands (ev): -1.6144 -1.6144 -1.6091 -1.6091 2.2557 2.2557 2.2688 2.2688 4.4680 4.4680 4.4689 4.4689 5.8660 5.8660 5.8721 5.8721 8.8973 8.8973 8.9076 8.9076 9.4545 9.4545 9.4709 9.4709 11.0860 11.0860 11.1325 11.1325 12.1503 12.1503 12.1922 12.1922 k =-0.3889 0.5635 1.0270 ( 4026 PWs) bands (ev): -1.6620 -1.6620 -1.6568 -1.6568 2.3071 2.3071 2.3210 2.3210 4.5259 4.5259 4.5266 4.5266 5.9147 5.9147 5.9203 5.9203 8.8374 8.8374 8.8483 8.8483 9.4114 9.4114 9.4282 9.4282 11.1139 11.1139 11.1623 11.1623 12.0641 12.0641 12.1019 12.1019 k =-0.3948 0.5405 1.0270 ( 4026 PWs) bands (ev): -1.7072 -1.7072 -1.7023 -1.7023 2.3516 2.3516 2.3663 2.3663 4.5920 4.5920 4.5941 4.5941 5.9620 5.9620 5.9673 5.9673 8.7818 8.7818 8.7933 8.7933 9.3681 9.3681 9.3852 9.3852 11.1335 11.1335 11.1835 11.1835 11.9685 11.9685 12.0023 12.0023 k =-0.4006 0.5175 1.0270 ( 4022 PWs) bands (ev): -1.7501 -1.7501 -1.7453 -1.7453 2.3896 2.3896 2.4047 2.4047 4.6666 4.6666 4.6700 4.6700 6.0079 6.0079 6.0128 6.0128 8.7306 8.7306 8.7427 8.7427 9.3250 9.3250 9.3423 9.3423 11.1405 11.1405 11.1911 11.1911 11.8706 11.8706 11.9000 11.9000 k =-0.4065 0.4946 1.0270 ( 4018 PWs) bands (ev): -1.7906 -1.7906 -1.7860 -1.7860 2.4213 2.4213 2.4367 2.4367 4.7493 4.7493 4.7537 4.7537 6.0520 6.0520 6.0566 6.0566 8.6836 8.6836 8.6962 8.6962 9.2823 9.2823 9.2998 9.2998 11.1284 11.1284 11.1777 11.1777 11.7806 11.7806 11.8046 11.8046 k =-0.4123 0.4716 1.0270 ( 4018 PWs) bands (ev): -1.8286 -1.8286 -1.8243 -1.8243 2.4475 2.4475 2.4629 2.4629 4.8391 4.8391 4.8445 4.8445 6.0941 6.0941 6.0984 6.0984 8.6405 8.6405 8.6537 8.6537 9.2405 9.2405 9.2579 9.2579 11.0894 11.0894 11.1344 11.1344 11.7101 11.7101 11.7267 11.7267 k =-0.4182 0.4487 1.0270 ( 4022 PWs) bands (ev): -1.8643 -1.8643 -1.8602 -1.8602 2.4687 2.4687 2.4838 2.4838 4.9352 4.9352 4.9413 4.9413 6.1340 6.1340 6.1380 6.1380 8.6010 8.6010 8.6147 8.6147 9.2002 9.2002 9.2174 9.2174 11.0190 11.0190 11.0569 11.0569 11.6662 11.6662 11.6736 11.6736 k =-0.4240 0.4257 1.0270 ( 4018 PWs) bands (ev): -1.8975 -1.8975 -1.8937 -1.8937 2.4854 2.4854 2.5002 2.5002 5.0365 5.0365 5.0431 5.0431 6.1715 6.1715 6.1751 6.1751 8.5646 8.5646 8.5786 8.5786 9.1620 9.1620 9.1787 9.1787 10.9198 10.9198 10.9505 10.9505 11.6447 11.6447 11.6460 11.6460 k =-0.4299 0.4028 1.0270 ( 4018 PWs) bands (ev): -1.9283 -1.9283 -1.9248 -1.9248 2.4985 2.4985 2.5127 2.5127 5.1419 5.1419 5.1488 5.1488 6.2064 6.2064 6.2096 6.2096 8.5304 8.5304 8.5445 8.5445 9.1269 9.1269 9.1428 9.1428 10.8003 10.8003 10.8253 10.8253 11.6336 11.6336 11.6413 11.6413 k =-0.4357 0.3798 1.0270 ( 4026 PWs) bands (ev): -1.9567 -1.9567 -1.9534 -1.9534 2.5084 2.5084 2.5219 2.5219 5.2500 5.2500 5.2572 5.2572 6.2385 6.2385 6.2414 6.2414 8.4976 8.4976 8.5115 8.5115 9.0960 9.0960 9.1106 9.1106 10.6691 10.6691 10.6900 10.6900 11.6333 11.6333 11.6452 11.6452 k =-0.4416 0.3569 1.0270 ( 4026 PWs) bands (ev): -1.9826 -1.9826 -1.9796 -1.9796 2.5158 2.5158 2.5284 2.5284 5.3597 5.3597 5.3670 5.3670 6.2677 6.2677 6.2702 6.2702 8.4651 8.4651 8.4785 8.4785 9.0704 9.0704 9.0835 9.0835 10.5329 10.5329 10.5510 10.5510 11.6388 11.6388 11.6530 11.6530 k =-0.4474 0.3339 1.0270 ( 4026 PWs) bands (ev): -2.0060 -2.0060 -2.0033 -2.0033 2.5211 2.5211 2.5327 2.5327 5.4694 5.4694 5.4767 5.4767 6.2939 6.2939 6.2961 6.2961 8.4319 8.4319 8.4445 8.4445 9.0514 9.0514 9.0625 9.0625 10.3961 10.3961 10.4122 10.4122 11.6469 11.6469 11.6621 11.6621 k =-0.4532 0.3110 1.0270 ( 4014 PWs) bands (ev): -2.0270 -2.0270 -2.0245 -2.0245 2.5248 2.5248 2.5354 2.5354 5.5775 5.5775 5.5847 5.5847 6.3171 6.3171 6.3189 6.3189 8.3972 8.3972 8.4086 8.4086 9.0401 9.0401 9.0489 9.0489 10.2620 10.2620 10.2767 10.2767 11.6559 11.6559 11.6712 11.6712 k =-0.4591 0.2880 1.0270 ( 4014 PWs) bands (ev): -2.0455 -2.0455 -2.0433 -2.0433 2.5273 2.5273 2.5368 2.5368 5.6823 5.6823 5.6893 5.6893 6.3373 6.3373 6.3386 6.3386 8.3608 8.3608 8.3708 8.3708 9.0371 9.0371 9.0434 9.0434 10.1330 10.1330 10.1465 10.1465 11.6648 11.6648 11.6793 11.6793 k =-0.4649 0.2650 1.0270 ( 4024 PWs) bands (ev): -2.0615 -2.0615 -2.0597 -2.0597 2.5290 2.5290 2.5372 2.5372 5.7817 5.7817 5.7883 5.7883 6.3544 6.3544 6.3552 6.3552 8.3230 8.3230 8.3315 8.3315 9.0425 9.0425 9.0465 9.0465 10.0111 10.0111 10.0236 10.0236 11.6730 11.6730 11.6862 11.6862 k =-0.4708 0.2421 1.0270 ( 4024 PWs) bands (ev): -2.0751 -2.0751 -2.0735 -2.0735 2.5301 2.5301 2.5370 2.5370 5.8733 5.8733 5.8794 5.8794 6.3684 6.3684 6.3687 6.3687 8.2851 8.2851 8.2920 8.2920 9.0560 9.0560 9.0577 9.0577 9.8982 9.8982 9.9098 9.9098 11.6801 11.6801 11.6917 11.6917 k =-0.4766 0.2191 1.0270 ( 4032 PWs) bands (ev): -2.0861 -2.0861 -2.0849 -2.0849 2.5308 2.5308 2.5364 2.5364 5.9546 5.9546 5.9600 5.9600 6.3793 6.3793 6.3793 6.3793 8.2488 8.2488 8.2542 8.2542 9.0760 9.0760 9.0762 9.0762 9.7963 9.7963 9.8068 9.8068 11.6861 11.6861 11.6957 11.6957 k =-0.4825 0.1962 1.0270 ( 4032 PWs) bands (ev): -2.0947 -2.0947 -2.0938 -2.0938 2.5313 2.5313 2.5355 2.5355 6.0227 6.0227 6.0272 6.0272 6.3870 6.3870 6.3873 6.3873 8.2166 8.2166 8.2206 8.2206 9.0994 9.0994 9.1009 9.1009 9.7082 9.7082 9.7172 9.7172 11.6911 11.6911 11.6984 11.6984 k =-0.4883 0.1732 1.0270 ( 4032 PWs) bands (ev): -2.1008 -2.1008 -2.1002 -2.1002 2.5318 2.5318 2.5346 2.5346 6.0746 6.0746 6.0779 6.0779 6.3922 6.3922 6.3926 6.3926 8.1913 8.1913 8.1939 8.1939 9.1242 9.1242 9.1263 9.1263 9.6378 9.6378 9.6448 9.6448 11.6949 11.6949 11.6999 11.6999 k =-0.4942 0.1503 1.0270 ( 4032 PWs) bands (ev): -2.1044 -2.1044 -2.1041 -2.1041 2.5323 2.5323 2.5338 2.5338 6.1076 6.1076 6.1093 6.1093 6.3951 6.3951 6.3953 6.3953 8.1751 8.1751 8.1764 8.1764 9.1447 9.1447 9.1462 9.1462 9.5914 9.5914 9.5953 9.5953 11.6977 11.6977 11.7002 11.7002 k =-0.5000 0.1273 1.0270 ( 4032 PWs) bands (ev): -2.1055 -2.1055 -2.1055 -2.1055 2.5330 2.5330 2.5330 2.5330 6.1195 6.1195 6.1195 6.1195 6.3961 6.3961 6.3961 6.3961 8.1700 8.1700 8.1700 8.1700 9.1534 9.1534 9.1534 9.1534 9.5761 9.5761 9.5761 9.5761 11.6994 11.6994 11.6994 11.6994 k =-0.5000 0.1273 1.0270 ( 4032 PWs) bands (ev): -2.1055 -2.1055 -2.1055 -2.1055 2.5330 2.5330 2.5330 2.5330 6.1195 6.1195 6.1195 6.1195 6.3961 6.3961 6.3961 6.3961 8.1700 8.1700 8.1700 8.1700 9.1534 9.1534 9.1534 9.1534 9.5761 9.5761 9.5761 9.5761 11.6994 11.6994 11.6994 11.6994 k =-0.5000 0.1273 1.0031 ( 4032 PWs) bands (ev): -2.2118 -2.2118 -1.9976 -1.9976 2.4301 2.4301 2.6383 2.6383 6.0563 6.0563 6.1831 6.1831 6.3156 6.3156 6.4735 6.4735 8.1260 8.1260 8.2158 8.2158 9.1306 9.1306 9.1800 9.1800 9.5075 9.5075 9.6479 9.6479 11.6356 11.6356 11.7660 11.7660 k =-0.5000 0.1273 0.9792 ( 4028 PWs) bands (ev): -2.3165 -2.3165 -1.8884 -1.8884 2.3298 2.3298 2.7457 2.7457 5.9938 5.9938 6.2304 6.2304 6.2499 6.2499 6.5469 6.5469 8.0837 8.0837 8.2636 8.2636 9.1117 9.1117 9.2103 9.2103 9.4432 9.4432 9.7212 9.7212 11.5746 11.5746 11.8351 11.8351 k =-0.5000 0.1273 0.9553 ( 4026 PWs) bands (ev): -2.4194 -2.4194 -1.7781 -1.7781 2.2324 2.2324 2.8550 2.8550 5.9319 5.9319 6.1478 6.1478 6.3130 6.3130 6.6152 6.6152 8.0431 8.0431 8.3135 8.3135 9.0969 9.0969 9.2440 9.2440 9.3849 9.3849 9.7948 9.7948 11.5166 11.5166 11.9066 11.9066 k =-0.5000 0.1273 0.9315 ( 4030 PWs) bands (ev): -2.5205 -2.5205 -1.6668 -1.6668 2.1382 2.1382 2.9660 2.9660 5.8707 5.8707 6.0624 6.0624 6.3785 6.3785 6.6776 6.6776 8.0039 8.0039 8.3655 8.3655 9.0862 9.0862 9.2806 9.2806 9.3342 9.3342 9.8671 9.8671 11.4616 11.4616 11.9803 11.9803 k =-0.5000 0.1273 0.9076 ( 4026 PWs) bands (ev): -2.6197 -2.6197 -1.5549 -1.5549 2.0476 2.0476 3.0784 3.0784 5.8103 5.8103 5.9767 5.9767 6.4446 6.4446 6.7329 6.7329 7.9658 7.9658 8.4197 8.4197 9.0798 9.0798 9.2895 9.2895 9.3228 9.3228 9.9366 9.9366 11.4098 11.4098 12.0559 12.0559 k =-0.5000 0.1273 0.8837 ( 4026 PWs) bands (ev): -2.7168 -2.7168 -1.4426 -1.4426 1.9608 1.9608 3.1920 3.1920 5.7506 5.7506 5.8912 5.8912 6.5114 6.5114 6.7800 6.7800 7.9286 7.9286 8.4760 8.4760 9.0776 9.0776 9.2577 9.2577 9.3649 9.3649 10.0017 10.0017 11.3613 11.3613 12.1332 12.1332 k =-0.5000 0.1273 0.8598 ( 4026 PWs) bands (ev): -2.8118 -2.8118 -1.3304 -1.3304 1.8783 1.8783 3.3065 3.3065 5.6917 5.6917 5.8065 5.8065 6.5787 6.5787 6.8183 6.8183 7.8920 7.8920 8.5346 8.5346 9.0796 9.0796 9.2361 9.2361 9.4104 9.4104 10.0606 10.0606 11.3160 11.3160 12.2111 12.2111 k =-0.5000 0.1273 0.8359 ( 4030 PWs) bands (ev): -2.9046 -2.9046 -1.2188 -1.2188 1.8007 1.8007 3.4214 3.4214 5.6337 5.6337 5.7231 5.7231 6.6466 6.6466 6.8470 6.8470 7.8558 7.8558 8.5955 8.5955 9.0860 9.0860 9.2264 9.2264 9.4582 9.4582 10.1116 10.1116 11.2739 11.2739 12.2759 12.2759 k =-0.5000 0.1273 0.8120 ( 4024 PWs) bands (ev): -2.9953 -2.9953 -1.1083 -1.1083 1.7286 1.7286 3.5365 3.5365 5.5765 5.5765 5.6416 5.6416 6.7151 6.7151 6.8657 6.8657 7.8197 7.8197 8.6585 8.6585 9.0968 9.0968 9.2289 9.2289 9.5080 9.5080 10.1531 10.1531 11.2348 11.2348 12.1921 12.1921 k =-0.5000 0.1273 0.7882 ( 4020 PWs) bands (ev): -3.0837 -3.0837 -0.9998 -0.9998 1.6628 1.6628 3.6511 3.6511 5.5203 5.5203 5.5627 5.5627 6.7841 6.7841 6.8745 6.8745 7.7835 7.7835 8.7238 8.7238 9.1119 9.1119 9.2437 9.2437 9.5595 9.5595 10.1835 10.1835 11.1986 11.1986 12.0747 12.0747 k =-0.5000 0.1273 0.7643 ( 4016 PWs) bands (ev): -3.1697 -3.1697 -0.8939 -0.8939 1.6042 1.6042 3.7645 3.7645 5.4651 5.4651 5.4872 5.4872 6.8531 6.8531 6.8742 6.8742 7.7472 7.7472 8.7913 8.7913 9.1313 9.1313 9.2703 9.2703 9.6123 9.6123 10.2019 10.2019 11.1645 11.1645 11.9544 11.9544 k =-0.5000 0.1273 0.7404 ( 4004 PWs) bands (ev): -3.2535 -3.2535 -0.7920 -0.7920 1.5538 1.5538 3.8759 3.8759 5.4105 5.4105 5.4165 5.4165 6.8629 6.8629 6.9245 6.9245 7.7108 7.7108 8.8610 8.8610 9.1551 9.1551 9.3078 9.3078 9.6661 9.6661 10.2076 10.2076 11.1316 11.1316 11.8340 11.8340 k =-0.5000 0.1273 0.7165 ( 4000 PWs) bands (ev): -3.3349 -3.3349 -0.6951 -0.6951 1.5130 1.5130 3.9837 3.9837 5.3499 5.3499 5.3586 5.3586 6.8446 6.8446 6.9951 6.9951 7.6743 7.6743 8.9326 8.9326 9.1832 9.1832 9.3550 9.3550 9.7204 9.7204 10.2008 10.2008 11.0980 11.0980 11.7162 11.7162 k =-0.5000 0.1273 0.6926 ( 4008 PWs) bands (ev): -3.4138 -3.4138 -0.6048 -0.6048 1.4832 1.4832 4.0861 4.0861 5.2923 5.2923 5.3067 5.3067 6.8189 6.8189 7.0664 7.0664 7.6378 7.6378 9.0061 9.0061 9.2155 9.2155 9.4104 9.4104 9.7749 9.7749 10.1822 10.1822 11.0605 11.0605 11.6048 11.6048 k =-0.5000 0.1273 0.6687 ( 4008 PWs) bands (ev): -3.4903 -3.4903 -0.5226 -0.5226 1.4660 1.4660 4.1802 4.1802 5.2449 5.2449 5.2563 5.2563 6.7867 6.7867 7.1382 7.1382 7.6014 7.6014 9.0812 9.0812 9.2522 9.2522 9.4724 9.4724 9.8292 9.8292 10.1530 10.1530 11.0137 11.0137 11.5058 11.5058 k =-0.5000 0.1273 0.6449 ( 4012 PWs) bands (ev): -3.5644 -3.5644 -0.4501 -0.4501 1.4630 1.4630 4.2621 4.2621 5.2052 5.2052 5.2139 5.2139 6.7491 6.7491 7.2104 7.2104 7.5651 7.5651 9.1574 9.1574 9.2931 9.2931 9.5395 9.5395 9.8830 9.8830 10.1152 10.1152 10.9509 10.9509 11.4261 11.4261 k =-0.5000 0.1273 0.6210 ( 4016 PWs) bands (ev): -3.6359 -3.6359 -0.3887 -0.3887 1.4755 1.4755 4.3271 4.3271 5.1581 5.1581 5.1993 5.1993 6.7071 6.7071 7.2829 7.2829 7.5289 7.5289 9.2341 9.2341 9.3383 9.3383 9.6099 9.6099 9.9358 9.9358 10.0710 10.0710 10.8674 10.8674 11.3711 11.3711 k =-0.5000 0.1273 0.5971 ( 4012 PWs) bands (ev): -3.7050 -3.7050 -0.3393 -0.3393 1.5046 1.5046 4.3707 4.3707 5.1116 5.1116 5.2089 5.2089 6.6616 6.6616 7.3556 7.3556 7.4927 7.4927 9.3098 9.3098 9.3878 9.3878 9.6821 9.6821 9.9869 9.9869 10.0238 10.0238 10.7640 10.7640 11.3402 11.3402 k =-0.5000 0.1273 0.5732 ( 4016 PWs) bands (ev): -3.7715 -3.7715 -0.3024 -0.3024 1.5505 1.5505 4.3909 4.3909 5.0665 5.0665 5.2440 5.2440 6.6134 6.6134 7.4274 7.4274 7.4576 7.4576 9.3825 9.3825 9.4414 9.4414 9.7543 9.7543 9.9744 9.9744 10.0388 10.0388 10.6458 10.6458 11.3290 11.3290 k =-0.5000 0.1273 0.5493 ( 4012 PWs) bands (ev): -3.8354 -3.8354 -0.2775 -0.2775 1.6131 1.6131 4.3898 4.3898 5.0229 5.0229 5.3023 5.3023 6.5632 6.5632 7.4187 7.4187 7.5027 7.5027 9.4482 9.4482 9.4986 9.4986 9.8247 9.8247 9.9329 9.9329 10.0873 10.0873 10.5186 10.5186 11.3322 11.3322 k =-0.5000 0.1273 0.5254 ( 4010 PWs) bands (ev): -3.8967 -3.8967 -0.2638 -0.2638 1.6912 1.6912 4.3721 4.3721 4.9807 4.9807 5.3789 5.3789 6.5116 6.5116 7.3818 7.3818 7.5754 7.5754 9.4993 9.4993 9.5580 9.5580 9.8879 9.8879 9.9093 9.9093 10.1339 10.1339 10.3881 10.3881 11.3462 11.3462 k =-0.5000 0.1273 0.5016 ( 4006 PWs) bands (ev): -3.9555 -3.9555 -0.2598 -0.2598 1.7834 1.7834 4.3429 4.3429 4.9401 4.9401 5.4685 5.4685 6.4593 6.4593 7.3438 7.3438 7.6481 7.6481 9.5228 9.5228 9.6203 9.6203 9.9073 9.9073 9.9470 9.9470 10.1768 10.1768 10.2649 10.2649 11.3681 11.3681 k =-0.5000 0.1273 0.4777 ( 4006 PWs) bands (ev): -4.0116 -4.0116 -0.2639 -0.2639 1.8880 1.8880 4.3067 4.3067 4.9012 4.9012 5.5665 5.5665 6.4066 6.4066 7.3047 7.3047 7.7204 7.7204 9.5118 9.5118 9.6868 9.6868 9.9449 9.9449 9.9612 9.9612 10.1651 10.1651 10.2296 10.2296 11.3957 11.3957 k =-0.5000 0.1273 0.4538 ( 3998 PWs) bands (ev): -4.0651 -4.0651 -0.2745 -0.2745 2.0035 2.0035 4.2663 4.2663 4.8639 4.8639 5.6698 5.6698 6.3538 6.3538 7.2642 7.2642 7.7921 7.7921 9.4753 9.4753 9.7568 9.7568 9.8845 9.8845 10.0103 10.0103 10.1631 10.1631 10.2688 10.2688 11.4269 11.4269 k =-0.5000 0.1273 0.4299 ( 3998 PWs) bands (ev): -4.1159 -4.1159 -0.2900 -0.2900 2.1281 2.1281 4.2238 4.2238 4.8283 4.8283 5.7760 5.7760 6.3014 6.3014 7.2220 7.2220 7.8629 7.8629 9.4253 9.4253 9.7545 9.7545 9.8356 9.8356 10.0898 10.0898 10.2046 10.2046 10.3090 10.3090 11.4596 11.4596 k =-0.5000 0.1273 0.4060 ( 4006 PWs) bands (ev): -4.1641 -4.1641 -0.3091 -0.3091 2.2605 2.2605 4.1808 4.1808 4.7944 4.7944 5.8834 5.8834 6.2494 6.2494 7.1775 7.1775 7.9325 7.9325 9.3689 9.3689 9.6192 9.6192 9.9117 9.9117 10.1774 10.1774 10.2552 10.2552 10.3483 10.3483 11.4918 11.4918 k =-0.5000 0.1273 0.3821 ( 4010 PWs) bands (ev): -4.2096 -4.2096 -0.3307 -0.3307 2.3995 2.3995 4.1380 4.1380 4.7623 4.7623 5.9907 5.9907 6.1981 6.1981 7.1305 7.1305 8.0006 8.0006 9.3101 9.3101 9.4804 9.4804 9.9926 9.9926 10.2666 10.2666 10.3095 10.3095 10.3867 10.3867 11.5216 11.5216 k =-0.5000 0.1273 0.3583 ( 4016 PWs) bands (ev): -4.2524 -4.2524 -0.3538 -0.3538 2.5440 2.5440 4.0963 4.0963 4.7319 4.7319 6.0967 6.0967 6.1478 6.1478 7.0804 7.0804 8.0669 8.0669 9.2503 9.2503 9.3435 9.3435 10.0767 10.0767 10.3391 10.3391 10.3817 10.3817 10.4244 10.4244 11.5471 11.5471 k =-0.5000 0.1273 0.3344 ( 4014 PWs) bands (ev): -4.2925 -4.2925 -0.3776 -0.3776 2.6930 2.6930 4.0561 4.0561 4.7034 4.7034 6.0969 6.0969 6.2019 6.2019 7.0268 7.0268 8.1312 8.1312 9.1857 9.1857 9.2159 9.2159 10.1637 10.1637 10.3898 10.3898 10.4592 10.4592 10.4776 10.4776 11.5669 11.5669 k =-0.5000 0.1273 0.3105 ( 4022 PWs) bands (ev): -4.3298 -4.3298 -0.4016 -0.4016 2.8459 2.8459 4.0178 4.0178 4.6768 4.6768 6.0472 6.0472 6.3035 6.3035 6.9693 6.9693 8.1929 8.1929 9.0746 9.0746 9.1414 9.1414 10.2533 10.2533 10.4340 10.4340 10.4968 10.4968 10.5750 10.5750 11.5805 11.5805 k =-0.5000 0.1273 0.2866 ( 4014 PWs) bands (ev): -4.3645 -4.3645 -0.4252 -0.4252 3.0019 3.0019 3.9816 3.9816 4.6520 4.6520 5.9975 5.9975 6.4018 6.4018 6.9079 6.9079 8.2517 8.2517 8.9532 8.9532 9.0860 9.0860 10.3451 10.3451 10.4751 10.4751 10.5331 10.5331 10.6743 10.6743 11.5876 11.5876 k =-0.5000 0.1273 0.2627 ( 4012 PWs) bands (ev): -4.3964 -4.3964 -0.4480 -0.4480 3.1604 3.1604 3.9478 3.9478 4.6292 4.6292 5.9472 5.9472 6.4960 6.4960 6.8424 6.8424 8.3072 8.3072 8.8385 8.8385 9.0343 9.0343 10.4383 10.4383 10.5139 10.5139 10.5693 10.5693 10.7731 10.7731 11.5888 11.5888 k =-0.5000 0.1273 0.2388 ( 4012 PWs) bands (ev): -4.4255 -4.4255 -0.4697 -0.4697 3.3206 3.3206 3.9165 3.9165 4.6082 4.6082 5.8955 5.8955 6.5854 6.5854 6.7734 6.7734 8.3589 8.3589 8.7325 8.7325 8.9860 8.9860 10.5277 10.5277 10.5547 10.5547 10.6060 10.6060 10.8703 10.8703 11.5850 11.5850 k =-0.5000 0.1273 0.2150 ( 4004 PWs) bands (ev): -4.4520 -4.4520 -0.4899 -0.4899 3.4821 3.4821 3.8878 3.8878 4.5892 4.5892 5.8415 5.8415 6.6680 6.6680 6.7032 6.7032 8.4062 8.4062 8.6367 8.6367 8.9411 8.9411 10.5767 10.5767 10.6251 10.6251 10.6521 10.6521 10.9648 10.9648 11.5775 11.5775 k =-0.5000 0.1273 0.1911 ( 3996 PWs) bands (ev): -4.4756 -4.4756 -0.5085 -0.5085 3.6441 3.6441 3.8620 3.8620 4.5722 4.5722 5.7837 5.7837 6.6278 6.6278 6.7484 6.7484 8.4469 8.4469 8.5534 8.5534 8.9000 8.9000 10.6079 10.6079 10.6697 10.6697 10.7393 10.7393 11.0554 11.0554 11.5675 11.5675 k =-0.5000 0.1273 0.1672 ( 4002 PWs) bands (ev): -4.4965 -4.4965 -0.5253 -0.5253 3.8057 3.8057 3.8392 3.8392 4.5571 4.5571 5.7205 5.7205 6.5562 6.5562 6.8193 6.8193 8.4559 8.4559 8.5079 8.5079 8.8629 8.8629 10.6351 10.6351 10.7044 10.7044 10.8368 10.8368 11.1408 11.1408 11.5564 11.5564 k =-0.5000 0.1273 0.1433 ( 3994 PWs) bands (ev): -4.5146 -4.5146 -0.5402 -0.5402 3.8188 3.8188 3.9666 3.9666 4.5440 4.5440 5.6503 5.6503 6.4880 6.4880 6.8828 6.8828 8.4023 8.4023 8.5309 8.5309 8.8300 8.8300 10.6589 10.6589 10.7368 10.7368 10.9347 10.9347 11.2195 11.2195 11.5452 11.5452 k =-0.5000 0.1273 0.1194 ( 3994 PWs) bands (ev): -4.5299 -4.5299 -0.5529 -0.5529 3.8018 3.8018 4.1248 4.1248 4.5329 4.5329 5.5716 5.5716 6.4262 6.4262 6.9382 6.9382 8.3499 8.3499 8.5581 8.5581 8.8019 8.8019 10.6793 10.6793 10.7665 10.7665 11.0310 11.0310 11.2897 11.2897 11.5351 11.5351 k =-0.5000 0.1273 0.0955 ( 3996 PWs) bands (ev): -4.5425 -4.5425 -0.5634 -0.5634 3.7878 3.7878 4.2788 4.2788 4.5238 4.5238 5.4841 5.4841 6.3734 6.3734 6.9846 6.9846 8.3068 8.3068 8.5810 8.5810 8.7787 8.7787 10.6963 10.6963 10.7929 10.7929 11.1233 11.1233 11.3496 11.3496 11.5270 11.5270 k =-0.5000 0.1273 0.0717 ( 3992 PWs) bands (ev): -4.5523 -4.5523 -0.5717 -0.5717 3.7768 3.7768 4.4253 4.4253 4.5169 4.5169 5.3896 5.3896 6.3312 6.3312 7.0215 7.0215 8.2736 8.2736 8.5987 8.5987 8.7608 8.7608 10.7096 10.7096 10.8148 10.8148 11.2080 11.2080 11.3974 11.3974 11.5221 11.5221 k =-0.5000 0.1273 0.0478 ( 4008 PWs) bands (ev): -4.5592 -4.5592 -0.5776 -0.5776 3.7690 3.7690 4.5111 4.5111 4.5592 4.5592 5.2937 5.2937 6.3009 6.3009 7.0483 7.0483 8.2501 8.2501 8.6109 8.6109 8.7484 8.7484 10.7192 10.7192 10.8314 10.8314 11.2790 11.2790 11.4316 11.4316 11.5211 11.5211 k =-0.5000 0.1273 0.0239 ( 4012 PWs) bands (ev): -4.5634 -4.5634 -0.5812 -0.5812 3.7643 3.7643 4.5084 4.5084 4.6636 4.6636 5.2113 5.2113 6.2826 6.2826 7.0646 7.0646 8.2360 8.2360 8.6180 8.6180 8.7411 8.7411 10.7251 10.7251 10.8418 10.8418 11.3274 11.3274 11.4521 11.4521 11.5229 11.5229 k =-0.5000 0.1273-0.0000 ( 4012 PWs) bands (ev): -4.5648 -4.5648 -0.5824 -0.5824 3.7627 3.7627 4.5074 4.5074 4.7073 4.7073 5.1750 5.1750 6.2765 6.2765 7.0701 7.0701 8.2314 8.2314 8.6202 8.6202 8.7387 8.7387 10.7270 10.7270 10.8453 10.8453 11.3447 11.3447 11.4591 11.4591 11.5241 11.5241 k = 0.0000 0.0000 1.0270 ( 4024 PWs) bands (ev): -2.1123 -2.1123 -2.1123 -2.1123 2.6548 2.6548 2.6548 2.6548 6.0162 6.0162 6.0162 6.0162 6.0796 6.0796 6.0796 6.0796 7.9739 7.9739 7.9739 7.9739 9.4073 9.4073 9.4073 9.4073 10.0914 10.0914 10.0914 10.0914 12.3196 12.3196 12.3196 12.3196 k =-0.0227 0.0058 1.0270 ( 4032 PWs) bands (ev): -2.1122 -2.1122 -2.1122 -2.1122 2.6541 2.6541 2.6541 2.6541 6.0180 6.0180 6.0180 6.0180 6.0798 6.0798 6.0798 6.0798 7.9746 7.9746 7.9746 7.9746 9.4059 9.4059 9.4059 9.4059 10.0892 10.0892 10.0892 10.0892 12.3161 12.3161 12.3161 12.3161 k =-0.0455 0.0116 1.0270 ( 4030 PWs) bands (ev): -2.1121 -2.1121 -2.1121 -2.1121 2.6522 2.6522 2.6522 2.6522 6.0235 6.0235 6.0235 6.0235 6.0805 6.0805 6.0805 6.0805 7.9767 7.9767 7.9767 7.9767 9.4016 9.4016 9.4016 9.4016 10.0828 10.0828 10.0828 10.0828 12.3056 12.3056 12.3056 12.3056 k =-0.0682 0.0174 1.0270 ( 4026 PWs) bands (ev): -2.1120 -2.1120 -2.1120 -2.1120 2.6490 2.6490 2.6490 2.6490 6.0326 6.0326 6.0326 6.0326 6.0816 6.0816 6.0816 6.0816 7.9801 7.9801 7.9801 7.9801 9.3947 9.3947 9.3947 9.3947 10.0721 10.0721 10.0721 10.0721 12.2882 12.2882 12.2882 12.2882 k =-0.0909 0.0231 1.0270 ( 4010 PWs) bands (ev): -2.1117 -2.1117 -2.1117 -2.1117 2.6446 2.6446 2.6446 2.6446 6.0449 6.0449 6.0449 6.0449 6.0831 6.0831 6.0831 6.0831 7.9850 7.9850 7.9850 7.9850 9.3852 9.3852 9.3852 9.3852 10.0573 10.0573 10.0573 10.0573 12.2643 12.2643 12.2643 12.2643 k =-0.1136 0.0289 1.0270 ( 4006 PWs) bands (ev): -2.1114 -2.1114 -2.1114 -2.1114 2.6391 2.6391 2.6391 2.6391 6.0601 6.0601 6.0601 6.0601 6.0854 6.0854 6.0854 6.0854 7.9911 7.9911 7.9911 7.9911 9.3734 9.3734 9.3734 9.3734 10.0386 10.0386 10.0386 10.0386 12.2344 12.2344 12.2344 12.2344 k =-0.1364 0.0347 1.0270 ( 4016 PWs) bands (ev): -2.1111 -2.1111 -2.1111 -2.1111 2.6327 2.6327 2.6327 2.6327 6.0764 6.0764 6.0764 6.0764 6.0898 6.0898 6.0898 6.0898 7.9985 7.9985 7.9985 7.9985 9.3597 9.3597 9.3597 9.3597 10.0162 10.0162 10.0162 10.0162 12.1994 12.1994 12.1994 12.1994 k =-0.1591 0.0405 1.0270 ( 4016 PWs) bands (ev): -2.1107 -2.1107 -2.1107 -2.1107 2.6255 2.6255 2.6255 2.6255 6.0857 6.0857 6.0857 6.0857 6.1039 6.1039 6.1039 6.1039 8.0073 8.0073 8.0073 8.0073 9.3443 9.3443 9.3443 9.3443 9.9904 9.9904 9.9904 9.9904 12.1602 12.1602 12.1602 12.1602 k =-0.1818 0.0463 1.0270 ( 4020 PWs) bands (ev): -2.1103 -2.1103 -2.1103 -2.1103 2.6176 2.6176 2.6176 2.6176 6.0896 6.0896 6.0896 6.0896 6.1259 6.1259 6.1259 6.1259 8.0172 8.0172 8.0172 8.0172 9.3277 9.3277 9.3277 9.3277 9.9615 9.9615 9.9615 9.9615 12.1179 12.1179 12.1179 12.1179 k =-0.2045 0.0521 1.0270 ( 4020 PWs) bands (ev): -2.1098 -2.1098 -2.1098 -2.1098 2.6093 2.6093 2.6093 2.6093 6.0926 6.0926 6.0926 6.0926 6.1505 6.1505 6.1505 6.1505 8.0282 8.0282 8.0282 8.0282 9.3102 9.3102 9.3102 9.3102 9.9299 9.9299 9.9299 9.9299 12.0737 12.0737 12.0737 12.0737 k =-0.2273 0.0579 1.0270 ( 4020 PWs) bands (ev): -2.1094 -2.1094 -2.1094 -2.1094 2.6007 2.6007 2.6007 2.6007 6.0956 6.0956 6.0956 6.0956 6.1766 6.1766 6.1766 6.1766 8.0403 8.0403 8.0403 8.0403 9.2923 9.2923 9.2923 9.2923 9.8961 9.8961 9.8961 9.8961 12.0286 12.0286 12.0286 12.0286 k =-0.2500 0.0637 1.0270 ( 4026 PWs) bands (ev): -2.1089 -2.1089 -2.1089 -2.1089 2.5920 2.5920 2.5920 2.5920 6.0986 6.0986 6.0986 6.0986 6.2033 6.2033 6.2033 6.2033 8.0532 8.0532 8.0532 8.0532 9.2741 9.2741 9.2741 9.2741 9.8607 9.8607 9.8607 9.8607 11.9837 11.9837 11.9837 11.9837 k =-0.2727 0.0694 1.0270 ( 4038 PWs) bands (ev): -2.1084 -2.1084 -2.1084 -2.1084 2.5834 2.5834 2.5834 2.5834 6.1016 6.1016 6.1016 6.1016 6.2303 6.2303 6.2303 6.2303 8.0669 8.0669 8.0669 8.0669 9.2563 9.2563 9.2563 9.2563 9.8242 9.8242 9.8242 9.8242 11.9400 11.9400 11.9400 11.9400 k =-0.2955 0.0752 1.0270 ( 4044 PWs) bands (ev): -2.1079 -2.1079 -2.1079 -2.1079 2.5750 2.5750 2.5750 2.5750 6.1045 6.1045 6.1045 6.1045 6.2568 6.2568 6.2568 6.2568 8.0810 8.0810 8.0810 8.0810 9.2390 9.2390 9.2390 9.2390 9.7874 9.7874 9.7874 9.7874 11.8983 11.8983 11.8983 11.8983 k =-0.3182 0.0810 1.0270 ( 4040 PWs) bands (ev): -2.1075 -2.1075 -2.1075 -2.1075 2.5671 2.5671 2.5671 2.5671 6.1072 6.1072 6.1072 6.1072 6.2824 6.2824 6.2824 6.2824 8.0953 8.0953 8.0953 8.0953 9.2227 9.2227 9.2227 9.2227 9.7510 9.7510 9.7510 9.7510 11.8593 11.8593 11.8593 11.8593 k =-0.3409 0.0868 1.0270 ( 4036 PWs) bands (ev): -2.1070 -2.1070 -2.1070 -2.1070 2.5597 2.5597 2.5597 2.5597 6.1098 6.1098 6.1098 6.1098 6.3065 6.3065 6.3065 6.3065 8.1096 8.1096 8.1096 8.1096 9.2075 9.2075 9.2075 9.2075 9.7158 9.7158 9.7158 9.7158 11.8236 11.8236 11.8236 11.8236 k =-0.3636 0.0926 1.0270 ( 4032 PWs) bands (ev): -2.1066 -2.1066 -2.1066 -2.1066 2.5530 2.5530 2.5530 2.5530 6.1122 6.1122 6.1122 6.1122 6.3286 6.3286 6.3286 6.3286 8.1233 8.1233 8.1233 8.1233 9.1939 9.1939 9.1939 9.1939 9.6827 9.6827 9.6827 9.6827 11.7917 11.7917 11.7917 11.7917 k =-0.3864 0.0984 1.0270 ( 4032 PWs) bands (ev): -2.1063 -2.1063 -2.1063 -2.1063 2.5471 2.5471 2.5471 2.5471 6.1143 6.1143 6.1143 6.1143 6.3483 6.3483 6.3483 6.3483 8.1361 8.1361 8.1361 8.1361 9.1819 9.1819 9.1819 9.1819 9.6527 9.6527 9.6527 9.6527 11.7642 11.7642 11.7642 11.7642 k =-0.4091 0.1042 1.0270 ( 4034 PWs) bands (ev): -2.1060 -2.1060 -2.1060 -2.1060 2.5421 2.5421 2.5421 2.5421 6.1161 6.1161 6.1161 6.1161 6.3649 6.3649 6.3649 6.3649 8.1474 8.1474 8.1474 8.1474 9.1719 9.1719 9.1719 9.1719 9.6265 9.6265 9.6265 9.6265 11.7412 11.7412 11.7412 11.7412 k =-0.4318 0.1099 1.0270 ( 4034 PWs) bands (ev): -2.1058 -2.1058 -2.1058 -2.1058 2.5382 2.5382 2.5382 2.5382 6.1176 6.1176 6.1176 6.1176 6.3783 6.3783 6.3783 6.3783 8.1569 8.1569 8.1569 8.1569 9.1639 9.1639 9.1639 9.1639 9.6051 9.6051 9.6051 9.6051 11.7231 11.7231 11.7231 11.7231 k =-0.4545 0.1157 1.0270 ( 4030 PWs) bands (ev): -2.1056 -2.1056 -2.1056 -2.1056 2.5353 2.5353 2.5353 2.5353 6.1186 6.1186 6.1186 6.1186 6.3881 6.3881 6.3881 6.3881 8.1640 8.1640 8.1640 8.1640 9.1581 9.1581 9.1581 9.1581 9.5892 9.5892 9.5892 9.5892 11.7100 11.7100 11.7100 11.7100 k =-0.4773 0.1215 1.0270 ( 4026 PWs) bands (ev): -2.1055 -2.1055 -2.1055 -2.1055 2.5336 2.5336 2.5336 2.5336 6.1193 6.1193 6.1193 6.1193 6.3941 6.3941 6.3941 6.3941 8.1685 8.1685 8.1685 8.1685 9.1546 9.1546 9.1546 9.1546 9.5794 9.5794 9.5794 9.5794 11.7021 11.7021 11.7021 11.7021 k =-0.5000 0.1273 1.0270 ( 4032 PWs) bands (ev): -2.1055 -2.1055 -2.1055 -2.1055 2.5330 2.5330 2.5330 2.5330 6.1195 6.1195 6.1195 6.1195 6.3961 6.3961 6.3961 6.3961 8.1700 8.1700 8.1700 8.1700 9.1534 9.1534 9.1534 9.1534 9.5761 9.5761 9.5761 9.5761 11.6994 11.6994 11.6994 11.6994 Writing output data file ZrSi2.save init_run : 0.16s CPU 0.43s WALL ( 1 calls) electrons : 228.57s CPU 233.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 228.56s CPU 233.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 422 calls) cegterg : 207.73s CPU 210.48s WALL ( 950 calls) Called by sum_band: Called by *egterg: h_psi : 138.24s CPU 140.32s WALL ( 17236 calls) s_psi : 7.43s CPU 7.52s WALL ( 17236 calls) g_psi : 0.23s CPU 0.31s WALL ( 15864 calls) cdiaghg : 60.75s CPU 61.28s WALL ( 16286 calls) cegterg:over : 5.52s CPU 5.61s WALL ( 15864 calls) cegterg:upda : 5.22s CPU 5.28s WALL ( 15864 calls) cegterg:last : 2.81s CPU 2.99s WALL ( 2680 calls) cdiaghg:chol : 3.40s CPU 3.45s WALL ( 16286 calls) cdiaghg:inve : 1.45s CPU 1.50s WALL ( 16286 calls) cdiaghg:para : 3.56s CPU 3.67s WALL ( 32572 calls) Called by h_psi: h_psi:vloc : 119.20s CPU 121.06s WALL ( 17236 calls) h_psi:vnl : 18.76s CPU 18.99s WALL ( 17236 calls) add_vuspsi : 9.30s CPU 9.43s WALL ( 17236 calls) General routines calbec : 9.40s CPU 9.51s WALL ( 17236 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 112.39s CPU 113.90s WALL ( 1073312 calls) davcio : 0.19s CPU 0.18s WALL ( 844 calls) Parallel routines fft_scatter : 31.18s CPU 31.37s WALL ( 1073327 calls) PWSCF : 4m 1.39s CPU 4m52.21s WALL This run was terminated on: 21:21:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=