Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:11:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LaPd.save/ file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 25 7 2281 669 107 Max 58 26 8 2286 696 110 Sum 2779 1231 369 109637 32613 5201 bravais-lattice index = 14 lattice parameter (alat) = 11.0702 a.u. unit-cell volume = 684.3113 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.070152 celldm(2)= 1.000000 celldm(3)= 0.795484 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.773246 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.773246 0.634106 0.000000 ) a(3) = ( 0.000000 0.000000 0.795484 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.219428 -0.000000 ) b(2) = ( 0.000000 1.577024 -0.000000 ) b(3) = ( 0.000000 0.000000 1.257097 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential La 3.00 138.90550 La( 1.00) Pd 10.00 106.42000 Pd( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( -0.3977418 ) 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 ) ( 0.3977418 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 398 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0062660 0.0175225 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0125319 0.0350450 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0187979 0.0525675 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0250639 0.0700899 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0313299 0.0876124 -0.0000000), wk = 0.0025126 k( 7) = ( 0.0375958 0.1051349 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0438618 0.1226574 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0501278 0.1401799 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0563937 0.1577024 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0626597 0.1752248 -0.0000000), wk = 0.0025126 k( 12) = ( 0.0689257 0.1927473 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0751917 0.2102698 -0.0000000), wk = 0.0025126 k( 14) = ( 0.0814576 0.2277923 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0877236 0.2453148 -0.0000000), wk = 0.0025126 k( 16) = ( 0.0939896 0.2628373 -0.0000000), wk = 0.0025126 k( 17) = ( 0.1002555 0.2803598 -0.0000000), wk = 0.0025126 k( 18) = ( 0.1065215 0.2978822 -0.0000000), wk = 0.0025126 k( 19) = ( 0.1127875 0.3154047 -0.0000000), wk = 0.0025126 k( 20) = ( 0.1190535 0.3329272 -0.0000000), wk = 0.0025126 k( 21) = ( 0.1253194 0.3504497 -0.0000000), wk = 0.0025126 k( 22) = ( 0.1315854 0.3679722 -0.0000000), wk = 0.0025126 k( 23) = ( 0.1378514 0.3854947 -0.0000000), wk = 0.0025126 k( 24) = ( 0.1441174 0.4030172 -0.0000000), wk = 0.0025126 k( 25) = ( 0.1503833 0.4205396 -0.0000000), wk = 0.0025126 k( 26) = ( 0.1566493 0.4380621 -0.0000000), wk = 0.0025126 k( 27) = ( 0.1629153 0.4555846 -0.0000000), wk = 0.0025126 k( 28) = ( 0.1691812 0.4731071 -0.0000000), wk = 0.0025126 k( 29) = ( 0.1754472 0.4906296 -0.0000000), wk = 0.0025126 k( 30) = ( 0.1817132 0.5081521 -0.0000000), wk = 0.0025126 k( 31) = ( 0.1879792 0.5256745 -0.0000000), wk = 0.0025126 k( 32) = ( 0.1942451 0.5431970 -0.0000000), wk = 0.0025126 k( 33) = ( 0.2005111 0.5607195 -0.0000000), wk = 0.0025126 k( 34) = ( 0.2067771 0.5782420 -0.0000000), wk = 0.0025126 k( 35) = ( 0.2130431 0.5957645 -0.0000000), wk = 0.0025126 k( 36) = ( 0.2193090 0.6132870 -0.0000000), wk = 0.0025126 k( 37) = ( 0.2255750 0.6308095 -0.0000000), wk = 0.0025126 k( 38) = ( 0.2318410 0.6483319 -0.0000000), wk = 0.0025126 k( 39) = ( 0.2381069 0.6658544 -0.0000000), wk = 0.0025126 k( 40) = ( 0.2443729 0.6833769 -0.0000000), wk = 0.0025126 k( 41) = ( 0.2506389 0.7008994 -0.0000000), wk = 0.0025126 k( 42) = ( 0.2569049 0.7184219 -0.0000000), wk = 0.0025126 k( 43) = ( 0.2631708 0.7359444 -0.0000000), wk = 0.0025126 k( 44) = ( 0.2694368 0.7534669 -0.0000000), wk = 0.0025126 k( 45) = ( 0.2757028 0.7709893 -0.0000000), wk = 0.0025126 k( 46) = ( 0.2819687 0.7885118 -0.0000000), wk = 0.0025126 k( 47) = ( 0.2819687 0.7885118 -0.0000000), wk = 0.0025126 k( 48) = ( 0.2643457 0.7885118 -0.0000000), wk = 0.0025126 k( 49) = ( 0.2467226 0.7885118 -0.0000000), wk = 0.0025126 k( 50) = ( 0.2290996 0.7885118 -0.0000000), wk = 0.0025126 k( 51) = ( 0.2114766 0.7885118 -0.0000000), wk = 0.0025126 k( 52) = ( 0.1938535 0.7885118 -0.0000000), wk = 0.0025126 k( 53) = ( 0.1762305 0.7885118 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1586074 0.7885118 -0.0000000), wk = 0.0025126 k( 55) = ( 0.1409844 0.7885118 -0.0000000), wk = 0.0025126 k( 56) = ( 0.1233613 0.7885118 -0.0000000), wk = 0.0025126 k( 57) = ( 0.1057383 0.7885118 -0.0000000), wk = 0.0025126 k( 58) = ( 0.0881152 0.7885118 -0.0000000), wk = 0.0025126 k( 59) = ( 0.0704922 0.7885118 -0.0000000), wk = 0.0025126 k( 60) = ( 0.0528691 0.7885118 -0.0000000), wk = 0.0025126 k( 61) = ( 0.0352461 0.7885118 -0.0000000), wk = 0.0025126 k( 62) = ( 0.0176231 0.7885118 -0.0000000), wk = 0.0025126 k( 63) = ( 0.0000000 0.7885118 -0.0000000), wk = 0.0025126 k( 64) = ( 0.0000000 0.7885118 -0.0000000), wk = 0.0025126 k( 65) = ( 0.0000000 0.7885118 0.0184867), wk = 0.0025126 k( 66) = ( 0.0000000 0.7885118 0.0369734), wk = 0.0025126 k( 67) = ( 0.0000000 0.7885118 0.0554602), wk = 0.0025126 k( 68) = ( 0.0000000 0.7885118 0.0739469), wk = 0.0025126 k( 69) = ( 0.0000000 0.7885118 0.0924336), wk = 0.0025126 k( 70) = ( 0.0000000 0.7885118 0.1109203), wk = 0.0025126 k( 71) = ( 0.0000000 0.7885118 0.1294071), wk = 0.0025126 k( 72) = ( 0.0000000 0.7885118 0.1478938), wk = 0.0025126 k( 73) = ( 0.0000000 0.7885118 0.1663805), wk = 0.0025126 k( 74) = ( 0.0000000 0.7885118 0.1848672), wk = 0.0025126 k( 75) = ( 0.0000000 0.7885118 0.2033539), wk = 0.0025126 k( 76) = ( 0.0000000 0.7885118 0.2218407), wk = 0.0025126 k( 77) = ( 0.0000000 0.7885118 0.2403274), wk = 0.0025126 k( 78) = ( 0.0000000 0.7885118 0.2588141), wk = 0.0025126 k( 79) = ( 0.0000000 0.7885118 0.2773008), wk = 0.0025126 k( 80) = ( 0.0000000 0.7885118 0.2957876), wk = 0.0025126 k( 81) = ( 0.0000000 0.7885118 0.3142743), wk = 0.0025126 k( 82) = ( 0.0000000 0.7885118 0.3327610), wk = 0.0025126 k( 83) = ( 0.0000000 0.7885118 0.3512477), wk = 0.0025126 k( 84) = ( 0.0000000 0.7885118 0.3697344), wk = 0.0025126 k( 85) = ( 0.0000000 0.7885118 0.3882212), wk = 0.0025126 k( 86) = ( 0.0000000 0.7885118 0.4067079), wk = 0.0025126 k( 87) = ( 0.0000000 0.7885118 0.4251946), wk = 0.0025126 k( 88) = ( 0.0000000 0.7885118 0.4436813), wk = 0.0025126 k( 89) = ( 0.0000000 0.7885118 0.4621680), wk = 0.0025126 k( 90) = ( 0.0000000 0.7885118 0.4806548), wk = 0.0025126 k( 91) = ( 0.0000000 0.7885118 0.4991415), wk = 0.0025126 k( 92) = ( 0.0000000 0.7885118 0.5176282), wk = 0.0025126 k( 93) = ( 0.0000000 0.7885118 0.5361149), wk = 0.0025126 k( 94) = ( 0.0000000 0.7885118 0.5546017), wk = 0.0025126 k( 95) = ( 0.0000000 0.7885118 0.5730884), wk = 0.0025126 k( 96) = ( 0.0000000 0.7885118 0.5915751), wk = 0.0025126 k( 97) = ( 0.0000000 0.7885118 0.6100618), wk = 0.0025126 k( 98) = ( 0.0000000 0.7885118 0.6285485), wk = 0.0025126 k( 99) = ( 0.0000000 0.7885118 0.6285485), wk = 0.0025126 k( 100) = ( 0.0176231 0.7885118 0.6285485), wk = 0.0025126 k( 101) = ( 0.0352461 0.7885118 0.6285485), wk = 0.0025126 k( 102) = ( 0.0528691 0.7885118 0.6285485), wk = 0.0025126 k( 103) = ( 0.0704922 0.7885118 0.6285485), wk = 0.0025126 k( 104) = ( 0.0881152 0.7885118 0.6285485), wk = 0.0025126 k( 105) = ( 0.1057383 0.7885118 0.6285485), wk = 0.0025126 k( 106) = ( 0.1233613 0.7885118 0.6285485), wk = 0.0025126 k( 107) = ( 0.1409844 0.7885118 0.6285485), wk = 0.0025126 k( 108) = ( 0.1586074 0.7885118 0.6285485), wk = 0.0025126 k( 109) = ( 0.1762305 0.7885118 0.6285485), wk = 0.0025126 k( 110) = ( 0.1938535 0.7885118 0.6285485), wk = 0.0025126 k( 111) = ( 0.2114766 0.7885118 0.6285485), wk = 0.0025126 k( 112) = ( 0.2290996 0.7885118 0.6285485), wk = 0.0025126 k( 113) = ( 0.2467226 0.7885118 0.6285485), wk = 0.0025126 k( 114) = ( 0.2643457 0.7885118 0.6285485), wk = 0.0025126 k( 115) = ( 0.2819687 0.7885118 0.6285485), wk = 0.0025126 k( 116) = ( 0.2819687 0.7885118 0.6285485), wk = 0.0025126 k( 117) = ( 0.2757028 0.7709893 0.6285485), wk = 0.0025126 k( 118) = ( 0.2694368 0.7534669 0.6285485), wk = 0.0025126 k( 119) = ( 0.2631708 0.7359444 0.6285485), wk = 0.0025126 k( 120) = ( 0.2569049 0.7184219 0.6285485), wk = 0.0025126 k( 121) = ( 0.2506389 0.7008994 0.6285485), wk = 0.0025126 k( 122) = ( 0.2443729 0.6833769 0.6285485), wk = 0.0025126 k( 123) = ( 0.2381069 0.6658544 0.6285485), wk = 0.0025126 k( 124) = ( 0.2318410 0.6483319 0.6285485), wk = 0.0025126 k( 125) = ( 0.2255750 0.6308095 0.6285485), wk = 0.0025126 k( 126) = ( 0.2193090 0.6132870 0.6285485), wk = 0.0025126 k( 127) = ( 0.2130431 0.5957645 0.6285485), wk = 0.0025126 k( 128) = ( 0.2067771 0.5782420 0.6285485), wk = 0.0025126 k( 129) = ( 0.2005111 0.5607195 0.6285485), wk = 0.0025126 k( 130) = ( 0.1942451 0.5431970 0.6285485), wk = 0.0025126 k( 131) = ( 0.1879792 0.5256745 0.6285485), wk = 0.0025126 k( 132) = ( 0.1817132 0.5081521 0.6285485), wk = 0.0025126 k( 133) = ( 0.1754472 0.4906296 0.6285485), wk = 0.0025126 k( 134) = ( 0.1691812 0.4731071 0.6285485), wk = 0.0025126 k( 135) = ( 0.1629153 0.4555846 0.6285485), wk = 0.0025126 k( 136) = ( 0.1566493 0.4380621 0.6285485), wk = 0.0025126 k( 137) = ( 0.1503833 0.4205396 0.6285485), wk = 0.0025126 k( 138) = ( 0.1441174 0.4030172 0.6285485), wk = 0.0025126 k( 139) = ( 0.1378514 0.3854947 0.6285485), wk = 0.0025126 k( 140) = ( 0.1315854 0.3679722 0.6285485), wk = 0.0025126 k( 141) = ( 0.1253194 0.3504497 0.6285485), wk = 0.0025126 k( 142) = ( 0.1190535 0.3329272 0.6285485), wk = 0.0025126 k( 143) = ( 0.1127875 0.3154047 0.6285485), wk = 0.0025126 k( 144) = ( 0.1065215 0.2978822 0.6285485), wk = 0.0025126 k( 145) = ( 0.1002555 0.2803598 0.6285485), wk = 0.0025126 k( 146) = ( 0.0939896 0.2628373 0.6285485), wk = 0.0025126 k( 147) = ( 0.0877236 0.2453148 0.6285485), wk = 0.0025126 k( 148) = ( 0.0814576 0.2277923 0.6285485), wk = 0.0025126 k( 149) = ( 0.0751917 0.2102698 0.6285485), wk = 0.0025126 k( 150) = ( 0.0689257 0.1927473 0.6285485), wk = 0.0025126 k( 151) = ( 0.0626597 0.1752248 0.6285485), wk = 0.0025126 k( 152) = ( 0.0563937 0.1577024 0.6285485), wk = 0.0025126 k( 153) = ( 0.0501278 0.1401799 0.6285485), wk = 0.0025126 k( 154) = ( 0.0438618 0.1226574 0.6285485), wk = 0.0025126 k( 155) = ( 0.0375958 0.1051349 0.6285485), wk = 0.0025126 k( 156) = ( 0.0313299 0.0876124 0.6285485), wk = 0.0025126 k( 157) = ( 0.0250639 0.0700899 0.6285485), wk = 0.0025126 k( 158) = ( 0.0187979 0.0525675 0.6285485), wk = 0.0025126 k( 159) = ( 0.0125319 0.0350450 0.6285485), wk = 0.0025126 k( 160) = ( 0.0062660 0.0175225 0.6285485), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.6285485), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.6285485), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.6100618), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.5915751), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.5730884), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.5546017), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.5361149), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.5176282), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.4991415), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.4806548), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.4621680), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.4436813), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.4251946), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.4067079), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.3882212), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.3697344), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.3512477), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.3327610), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.3142743), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.2957876), wk = 0.0025126 k( 181) = ( 0.0000000 0.0000000 0.2773008), wk = 0.0025126 k( 182) = ( 0.0000000 0.0000000 0.2588141), wk = 0.0025126 k( 183) = ( 0.0000000 0.0000000 0.2403274), wk = 0.0025126 k( 184) = ( 0.0000000 0.0000000 0.2218407), wk = 0.0025126 k( 185) = ( 0.0000000 0.0000000 0.2033539), wk = 0.0025126 k( 186) = ( 0.0000000 0.0000000 0.1848672), wk = 0.0025126 k( 187) = ( 0.0000000 0.0000000 0.1663805), wk = 0.0025126 k( 188) = ( 0.0000000 0.0000000 0.1478938), wk = 0.0025126 k( 189) = ( 0.0000000 0.0000000 0.1294071), wk = 0.0025126 k( 190) = ( 0.0000000 0.0000000 0.1109203), wk = 0.0025126 k( 191) = ( 0.0000000 0.0000000 0.0924336), wk = 0.0025126 k( 192) = ( 0.0000000 0.0000000 0.0739469), wk = 0.0025126 k( 193) = ( 0.0000000 0.0000000 0.0554602), wk = 0.0025126 k( 194) = ( 0.0000000 0.0000000 0.0369734), wk = 0.0025126 k( 195) = ( 0.0000000 0.0000000 0.0184867), wk = 0.0025126 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 198) = ( -0.0172414 0.0061654 -0.0000000), wk = 0.0025126 k( 199) = ( -0.0344828 0.0123309 -0.0000000), wk = 0.0025126 k( 200) = ( -0.0517241 0.0184963 -0.0000000), wk = 0.0025126 k( 201) = ( -0.0689655 0.0246618 -0.0000000), wk = 0.0025126 k( 202) = ( -0.0862069 0.0308272 -0.0000000), wk = 0.0025126 k( 203) = ( -0.1034483 0.0369927 -0.0000000), wk = 0.0025126 k( 204) = ( -0.1206897 0.0431581 -0.0000000), wk = 0.0025126 k( 205) = ( -0.1379310 0.0493236 -0.0000000), wk = 0.0025126 k( 206) = ( -0.1551724 0.0554890 -0.0000000), wk = 0.0025126 k( 207) = ( -0.1724138 0.0616545 -0.0000000), wk = 0.0025126 k( 208) = ( -0.1896552 0.0678199 -0.0000000), wk = 0.0025126 k( 209) = ( -0.2068966 0.0739854 -0.0000000), wk = 0.0025126 k( 210) = ( -0.2241379 0.0801508 -0.0000000), wk = 0.0025126 k( 211) = ( -0.2413793 0.0863163 -0.0000000), wk = 0.0025126 k( 212) = ( -0.2586207 0.0924817 -0.0000000), wk = 0.0025126 k( 213) = ( -0.2758621 0.0986472 -0.0000000), wk = 0.0025126 k( 214) = ( -0.2931034 0.1048126 -0.0000000), wk = 0.0025126 k( 215) = ( -0.3103448 0.1109781 -0.0000000), wk = 0.0025126 k( 216) = ( -0.3275862 0.1171435 -0.0000000), wk = 0.0025126 k( 217) = ( -0.3448276 0.1233090 -0.0000000), wk = 0.0025126 k( 218) = ( -0.3620690 0.1294744 -0.0000000), wk = 0.0025126 k( 219) = ( -0.3793103 0.1356399 -0.0000000), wk = 0.0025126 k( 220) = ( -0.3965517 0.1418053 -0.0000000), wk = 0.0025126 k( 221) = ( -0.4137931 0.1479708 -0.0000000), wk = 0.0025126 k( 222) = ( -0.4310345 0.1541362 -0.0000000), wk = 0.0025126 k( 223) = ( -0.4482759 0.1603017 -0.0000000), wk = 0.0025126 k( 224) = ( -0.4655172 0.1664671 -0.0000000), wk = 0.0025126 k( 225) = ( -0.4827586 0.1726326 -0.0000000), wk = 0.0025126 k( 226) = ( -0.5000000 0.1787980 -0.0000000), wk = 0.0025126 k( 227) = ( -0.5000000 0.1787980 -0.0000000), wk = 0.0025126 k( 228) = ( -0.4937705 0.1962184 -0.0000000), wk = 0.0025126 k( 229) = ( -0.4875411 0.2136388 -0.0000000), wk = 0.0025126 k( 230) = ( -0.4813116 0.2310592 -0.0000000), wk = 0.0025126 k( 231) = ( -0.4750821 0.2484796 -0.0000000), wk = 0.0025126 k( 232) = ( -0.4688527 0.2659000 -0.0000000), wk = 0.0025126 k( 233) = ( -0.4626232 0.2833204 -0.0000000), wk = 0.0025126 k( 234) = ( -0.4563937 0.3007408 -0.0000000), wk = 0.0025126 k( 235) = ( -0.4501643 0.3181612 -0.0000000), wk = 0.0025126 k( 236) = ( -0.4439348 0.3355816 -0.0000000), wk = 0.0025126 k( 237) = ( -0.4377053 0.3530020 -0.0000000), wk = 0.0025126 k( 238) = ( -0.4314759 0.3704224 -0.0000000), wk = 0.0025126 k( 239) = ( -0.4252464 0.3878428 -0.0000000), wk = 0.0025126 k( 240) = ( -0.4190170 0.4052632 -0.0000000), wk = 0.0025126 k( 241) = ( -0.4127875 0.4226835 -0.0000000), wk = 0.0025126 k( 242) = ( -0.4065580 0.4401040 -0.0000000), wk = 0.0025126 k( 243) = ( -0.4003286 0.4575243 -0.0000000), wk = 0.0025126 k( 244) = ( -0.3940991 0.4749447 -0.0000000), wk = 0.0025126 k( 245) = ( -0.3878696 0.4923651 -0.0000000), wk = 0.0025126 k( 246) = ( -0.3816402 0.5097855 -0.0000000), wk = 0.0025126 k( 247) = ( -0.3754107 0.5272059 -0.0000000), wk = 0.0025126 k( 248) = ( -0.3691812 0.5446263 -0.0000000), wk = 0.0025126 k( 249) = ( -0.3629518 0.5620467 -0.0000000), wk = 0.0025126 k( 250) = ( -0.3567223 0.5794671 -0.0000000), wk = 0.0025126 k( 251) = ( -0.3504929 0.5968875 -0.0000000), wk = 0.0025126 k( 252) = ( -0.3442634 0.6143079 -0.0000000), wk = 0.0025126 k( 253) = ( -0.3380339 0.6317283 -0.0000000), wk = 0.0025126 k( 254) = ( -0.3318045 0.6491487 -0.0000000), wk = 0.0025126 k( 255) = ( -0.3255750 0.6665691 -0.0000000), wk = 0.0025126 k( 256) = ( -0.3193455 0.6839895 -0.0000000), wk = 0.0025126 k( 257) = ( -0.3131161 0.7014099 -0.0000000), wk = 0.0025126 k( 258) = ( -0.3068866 0.7188302 -0.0000000), wk = 0.0025126 k( 259) = ( -0.3006571 0.7362507 -0.0000000), wk = 0.0025126 k( 260) = ( -0.2944277 0.7536710 -0.0000000), wk = 0.0025126 k( 261) = ( -0.2881982 0.7710914 -0.0000000), wk = 0.0025126 k( 262) = ( -0.2819687 0.7885118 -0.0000000), wk = 0.0025126 k( 263) = ( -0.2819687 0.7885118 -0.0000000), wk = 0.0025126 k( 264) = ( -0.2819687 0.7885118 0.0184867), wk = 0.0025126 k( 265) = ( -0.2819687 0.7885118 0.0369734), wk = 0.0025126 k( 266) = ( -0.2819687 0.7885118 0.0554602), wk = 0.0025126 k( 267) = ( -0.2819687 0.7885118 0.0739469), wk = 0.0025126 k( 268) = ( -0.2819687 0.7885118 0.0924336), wk = 0.0025126 k( 269) = ( -0.2819687 0.7885118 0.1109203), wk = 0.0025126 k( 270) = ( -0.2819687 0.7885118 0.1294071), wk = 0.0025126 k( 271) = ( -0.2819687 0.7885118 0.1478938), wk = 0.0025126 k( 272) = ( -0.2819687 0.7885118 0.1663805), wk = 0.0025126 k( 273) = ( -0.2819687 0.7885118 0.1848672), wk = 0.0025126 k( 274) = ( -0.2819687 0.7885118 0.2033539), wk = 0.0025126 k( 275) = ( -0.2819687 0.7885118 0.2218407), wk = 0.0025126 k( 276) = ( -0.2819687 0.7885118 0.2403274), wk = 0.0025126 k( 277) = ( -0.2819687 0.7885118 0.2588141), wk = 0.0025126 k( 278) = ( -0.2819687 0.7885118 0.2773008), wk = 0.0025126 k( 279) = ( -0.2819687 0.7885118 0.2957876), wk = 0.0025126 k( 280) = ( -0.2819687 0.7885118 0.3142743), wk = 0.0025126 k( 281) = ( -0.2819687 0.7885118 0.3327610), wk = 0.0025126 k( 282) = ( -0.2819687 0.7885118 0.3512477), wk = 0.0025126 k( 283) = ( -0.2819687 0.7885118 0.3697344), wk = 0.0025126 k( 284) = ( -0.2819687 0.7885118 0.3882212), wk = 0.0025126 k( 285) = ( -0.2819687 0.7885118 0.4067079), wk = 0.0025126 k( 286) = ( -0.2819687 0.7885118 0.4251946), wk = 0.0025126 k( 287) = ( -0.2819687 0.7885118 0.4436813), wk = 0.0025126 k( 288) = ( -0.2819687 0.7885118 0.4621680), wk = 0.0025126 k( 289) = ( -0.2819687 0.7885118 0.4806548), wk = 0.0025126 k( 290) = ( -0.2819687 0.7885118 0.4991415), wk = 0.0025126 k( 291) = ( -0.2819687 0.7885118 0.5176282), wk = 0.0025126 k( 292) = ( -0.2819687 0.7885118 0.5361149), wk = 0.0025126 k( 293) = ( -0.2819687 0.7885118 0.5546017), wk = 0.0025126 k( 294) = ( -0.2819687 0.7885118 0.5730884), wk = 0.0025126 k( 295) = ( -0.2819687 0.7885118 0.5915751), wk = 0.0025126 k( 296) = ( -0.2819687 0.7885118 0.6100618), wk = 0.0025126 k( 297) = ( -0.2819687 0.7885118 0.6285485), wk = 0.0025126 k( 298) = ( -0.2819687 0.7885118 0.6285485), wk = 0.0025126 k( 299) = ( -0.2881982 0.7710914 0.6285485), wk = 0.0025126 k( 300) = ( -0.2944277 0.7536710 0.6285485), wk = 0.0025126 k( 301) = ( -0.3006571 0.7362507 0.6285485), wk = 0.0025126 k( 302) = ( -0.3068866 0.7188302 0.6285485), wk = 0.0025126 k( 303) = ( -0.3131161 0.7014099 0.6285485), wk = 0.0025126 k( 304) = ( -0.3193455 0.6839895 0.6285485), wk = 0.0025126 k( 305) = ( -0.3255750 0.6665691 0.6285485), wk = 0.0025126 k( 306) = ( -0.3318045 0.6491487 0.6285485), wk = 0.0025126 k( 307) = ( -0.3380339 0.6317283 0.6285485), wk = 0.0025126 k( 308) = ( -0.3442634 0.6143079 0.6285485), wk = 0.0025126 k( 309) = ( -0.3504929 0.5968875 0.6285485), wk = 0.0025126 k( 310) = ( -0.3567223 0.5794671 0.6285485), wk = 0.0025126 k( 311) = ( -0.3629518 0.5620467 0.6285485), wk = 0.0025126 k( 312) = ( -0.3691812 0.5446263 0.6285485), wk = 0.0025126 k( 313) = ( -0.3754107 0.5272059 0.6285485), wk = 0.0025126 k( 314) = ( -0.3816402 0.5097855 0.6285485), wk = 0.0025126 k( 315) = ( -0.3878696 0.4923651 0.6285485), wk = 0.0025126 k( 316) = ( -0.3940991 0.4749447 0.6285485), wk = 0.0025126 k( 317) = ( -0.4003286 0.4575243 0.6285485), wk = 0.0025126 k( 318) = ( -0.4065580 0.4401040 0.6285485), wk = 0.0025126 k( 319) = ( -0.4127875 0.4226835 0.6285485), wk = 0.0025126 k( 320) = ( -0.4190170 0.4052632 0.6285485), wk = 0.0025126 k( 321) = ( -0.4252464 0.3878428 0.6285485), wk = 0.0025126 k( 322) = ( -0.4314759 0.3704224 0.6285485), wk = 0.0025126 k( 323) = ( -0.4377053 0.3530020 0.6285485), wk = 0.0025126 k( 324) = ( -0.4439348 0.3355816 0.6285485), wk = 0.0025126 k( 325) = ( -0.4501643 0.3181612 0.6285485), wk = 0.0025126 k( 326) = ( -0.4563937 0.3007408 0.6285485), wk = 0.0025126 k( 327) = ( -0.4626232 0.2833204 0.6285485), wk = 0.0025126 k( 328) = ( -0.4688527 0.2659000 0.6285485), wk = 0.0025126 k( 329) = ( -0.4750821 0.2484796 0.6285485), wk = 0.0025126 k( 330) = ( -0.4813116 0.2310592 0.6285485), wk = 0.0025126 k( 331) = ( -0.4875411 0.2136388 0.6285485), wk = 0.0025126 k( 332) = ( -0.4937705 0.1962184 0.6285485), wk = 0.0025126 k( 333) = ( -0.5000000 0.1787980 0.6285485), wk = 0.0025126 k( 334) = ( -0.5000000 0.1787980 0.6285485), wk = 0.0025126 k( 335) = ( -0.5000000 0.1787980 0.6100618), wk = 0.0025126 k( 336) = ( -0.5000000 0.1787980 0.5915751), wk = 0.0025126 k( 337) = ( -0.5000000 0.1787980 0.5730884), wk = 0.0025126 k( 338) = ( -0.5000000 0.1787980 0.5546017), wk = 0.0025126 k( 339) = ( -0.5000000 0.1787980 0.5361149), wk = 0.0025126 k( 340) = ( -0.5000000 0.1787980 0.5176282), wk = 0.0025126 k( 341) = ( -0.5000000 0.1787980 0.4991415), wk = 0.0025126 k( 342) = ( -0.5000000 0.1787980 0.4806548), wk = 0.0025126 k( 343) = ( -0.5000000 0.1787980 0.4621680), wk = 0.0025126 k( 344) = ( -0.5000000 0.1787980 0.4436813), wk = 0.0025126 k( 345) = ( -0.5000000 0.1787980 0.4251946), wk = 0.0025126 k( 346) = ( -0.5000000 0.1787980 0.4067079), wk = 0.0025126 k( 347) = ( -0.5000000 0.1787980 0.3882212), wk = 0.0025126 k( 348) = ( -0.5000000 0.1787980 0.3697344), wk = 0.0025126 k( 349) = ( -0.5000000 0.1787980 0.3512477), wk = 0.0025126 k( 350) = ( -0.5000000 0.1787980 0.3327610), wk = 0.0025126 k( 351) = ( -0.5000000 0.1787980 0.3142743), wk = 0.0025126 k( 352) = ( -0.5000000 0.1787980 0.2957876), wk = 0.0025126 k( 353) = ( -0.5000000 0.1787980 0.2773008), wk = 0.0025126 k( 354) = ( -0.5000000 0.1787980 0.2588141), wk = 0.0025126 k( 355) = ( -0.5000000 0.1787980 0.2403274), wk = 0.0025126 k( 356) = ( -0.5000000 0.1787980 0.2218407), wk = 0.0025126 k( 357) = ( -0.5000000 0.1787980 0.2033539), wk = 0.0025126 k( 358) = ( -0.5000000 0.1787980 0.1848672), wk = 0.0025126 k( 359) = ( -0.5000000 0.1787980 0.1663805), wk = 0.0025126 k( 360) = ( -0.5000000 0.1787980 0.1478938), wk = 0.0025126 k( 361) = ( -0.5000000 0.1787980 0.1294071), wk = 0.0025126 k( 362) = ( -0.5000000 0.1787980 0.1109203), wk = 0.0025126 k( 363) = ( -0.5000000 0.1787980 0.0924336), wk = 0.0025126 k( 364) = ( -0.5000000 0.1787980 0.0739469), wk = 0.0025126 k( 365) = ( -0.5000000 0.1787980 0.0554602), wk = 0.0025126 k( 366) = ( -0.5000000 0.1787980 0.0369734), wk = 0.0025126 k( 367) = ( -0.5000000 0.1787980 0.0184867), wk = 0.0025126 k( 368) = ( -0.5000000 0.1787980 -0.0000000), wk = 0.0025126 k( 369) = ( 0.0000000 0.0000000 0.6285485), wk = 0.0025126 k( 370) = ( -0.0172414 0.0061654 0.6285485), wk = 0.0025126 k( 371) = ( -0.0344828 0.0123309 0.6285485), wk = 0.0025126 k( 372) = ( -0.0517241 0.0184963 0.6285485), wk = 0.0025126 k( 373) = ( -0.0689655 0.0246618 0.6285485), wk = 0.0025126 k( 374) = ( -0.0862069 0.0308272 0.6285485), wk = 0.0025126 k( 375) = ( -0.1034483 0.0369927 0.6285485), wk = 0.0025126 k( 376) = ( -0.1206897 0.0431581 0.6285485), wk = 0.0025126 k( 377) = ( -0.1379310 0.0493236 0.6285485), wk = 0.0025126 k( 378) = ( -0.1551724 0.0554890 0.6285485), wk = 0.0025126 k( 379) = ( -0.1724138 0.0616545 0.6285485), wk = 0.0025126 k( 380) = ( -0.1896552 0.0678199 0.6285485), wk = 0.0025126 k( 381) = ( -0.2068966 0.0739854 0.6285485), wk = 0.0025126 k( 382) = ( -0.2241379 0.0801508 0.6285485), wk = 0.0025126 k( 383) = ( -0.2413793 0.0863163 0.6285485), wk = 0.0025126 k( 384) = ( -0.2586207 0.0924817 0.6285485), wk = 0.0025126 k( 385) = ( -0.2758621 0.0986472 0.6285485), wk = 0.0025126 k( 386) = ( -0.2931034 0.1048126 0.6285485), wk = 0.0025126 k( 387) = ( -0.3103448 0.1109781 0.6285485), wk = 0.0025126 k( 388) = ( -0.3275862 0.1171435 0.6285485), wk = 0.0025126 k( 389) = ( -0.3448276 0.1233090 0.6285485), wk = 0.0025126 k( 390) = ( -0.3620690 0.1294744 0.6285485), wk = 0.0025126 k( 391) = ( -0.3793103 0.1356399 0.6285485), wk = 0.0025126 k( 392) = ( -0.3965517 0.1418053 0.6285485), wk = 0.0025126 k( 393) = ( -0.4137931 0.1479708 0.6285485), wk = 0.0025126 k( 394) = ( -0.4310345 0.1541362 0.6285485), wk = 0.0025126 k( 395) = ( -0.4482759 0.1603017 0.6285485), wk = 0.0025126 k( 396) = ( -0.4655172 0.1664671 0.6285485), wk = 0.0025126 k( 397) = ( -0.4827586 0.1726326 0.6285485), wk = 0.0025126 k( 398) = ( -0.5000000 0.1787980 0.6285485), wk = 0.0025126 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0062660 0.0062660 0.0000000), wk = 0.0025126 k( 3) = ( 0.0125319 0.0125319 0.0000000), wk = 0.0025126 k( 4) = ( 0.0187979 0.0187979 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0250639 0.0250639 0.0000000), wk = 0.0025126 k( 6) = ( 0.0313299 0.0313299 0.0000000), wk = 0.0025126 k( 7) = ( 0.0375958 0.0375958 0.0000000), wk = 0.0025126 k( 8) = ( 0.0438618 0.0438618 0.0000000), wk = 0.0025126 k( 9) = ( 0.0501278 0.0501278 0.0000000), wk = 0.0025126 k( 10) = ( 0.0563937 0.0563937 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0626597 0.0626597 0.0000000), wk = 0.0025126 k( 12) = ( 0.0689257 0.0689257 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0751917 0.0751917 0.0000000), wk = 0.0025126 k( 14) = ( 0.0814576 0.0814576 0.0000000), wk = 0.0025126 k( 15) = ( 0.0877236 0.0877236 0.0000000), wk = 0.0025126 k( 16) = ( 0.0939896 0.0939896 0.0000000), wk = 0.0025126 k( 17) = ( 0.1002555 0.1002555 -0.0000000), wk = 0.0025126 k( 18) = ( 0.1065215 0.1065215 0.0000000), wk = 0.0025126 k( 19) = ( 0.1127875 0.1127875 -0.0000000), wk = 0.0025126 k( 20) = ( 0.1190535 0.1190535 0.0000000), wk = 0.0025126 k( 21) = ( 0.1253194 0.1253194 0.0000000), wk = 0.0025126 k( 22) = ( 0.1315854 0.1315854 0.0000000), wk = 0.0025126 k( 23) = ( 0.1378514 0.1378514 -0.0000000), wk = 0.0025126 k( 24) = ( 0.1441174 0.1441174 -0.0000000), wk = 0.0025126 k( 25) = ( 0.1503833 0.1503833 -0.0000000), wk = 0.0025126 k( 26) = ( 0.1566493 0.1566493 0.0000000), wk = 0.0025126 k( 27) = ( 0.1629153 0.1629153 0.0000000), wk = 0.0025126 k( 28) = ( 0.1691812 0.1691812 0.0000000), wk = 0.0025126 k( 29) = ( 0.1754472 0.1754472 0.0000000), wk = 0.0025126 k( 30) = ( 0.1817132 0.1817132 0.0000000), wk = 0.0025126 k( 31) = ( 0.1879792 0.1879792 0.0000000), wk = 0.0025126 k( 32) = ( 0.1942451 0.1942451 0.0000000), wk = 0.0025126 k( 33) = ( 0.2005111 0.2005111 -0.0000000), wk = 0.0025126 k( 34) = ( 0.2067771 0.2067771 0.0000000), wk = 0.0025126 k( 35) = ( 0.2130431 0.2130430 -0.0000000), wk = 0.0025126 k( 36) = ( 0.2193090 0.2193090 -0.0000000), wk = 0.0025126 k( 37) = ( 0.2255750 0.2255750 0.0000000), wk = 0.0025126 k( 38) = ( 0.2318410 0.2318410 0.0000000), wk = 0.0025126 k( 39) = ( 0.2381069 0.2381069 0.0000000), wk = 0.0025126 k( 40) = ( 0.2443729 0.2443729 0.0000000), wk = 0.0025126 k( 41) = ( 0.2506389 0.2506389 0.0000000), wk = 0.0025126 k( 42) = ( 0.2569049 0.2569048 -0.0000000), wk = 0.0025126 k( 43) = ( 0.2631708 0.2631708 0.0000000), wk = 0.0025126 k( 44) = ( 0.2694368 0.2694368 0.0000000), wk = 0.0025126 k( 45) = ( 0.2757028 0.2757028 -0.0000000), wk = 0.0025126 k( 46) = ( 0.2819687 0.2819687 0.0000000), wk = 0.0025126 k( 47) = ( 0.2819687 0.2819687 0.0000000), wk = 0.0025126 k( 48) = ( 0.2643457 0.2955957 0.0000000), wk = 0.0025126 k( 49) = ( 0.2467226 0.3092226 0.0000000), wk = 0.0025126 k( 50) = ( 0.2290996 0.3228496 -0.0000000), wk = 0.0025126 k( 51) = ( 0.2114766 0.3364766 0.0000000), wk = 0.0025126 k( 52) = ( 0.1938535 0.3501035 0.0000000), wk = 0.0025126 k( 53) = ( 0.1762305 0.3637305 -0.0000000), wk = 0.0025126 k( 54) = ( 0.1586074 0.3773574 -0.0000000), wk = 0.0025126 k( 55) = ( 0.1409844 0.3909844 0.0000000), wk = 0.0025126 k( 56) = ( 0.1233613 0.4046113 -0.0000000), wk = 0.0025126 k( 57) = ( 0.1057383 0.4182383 0.0000000), wk = 0.0025126 k( 58) = ( 0.0881152 0.4318652 0.0000000), wk = 0.0025126 k( 59) = ( 0.0704922 0.4454922 0.0000000), wk = 0.0025126 k( 60) = ( 0.0528691 0.4591191 0.0000000), wk = 0.0025126 k( 61) = ( 0.0352461 0.4727461 0.0000000), wk = 0.0025126 k( 62) = ( 0.0176231 0.4863730 0.0000000), wk = 0.0025126 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025126 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025126 k( 65) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0025126 k( 66) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0025126 k( 67) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0025126 k( 68) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0025126 k( 69) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0025126 k( 70) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0025126 k( 71) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0025126 k( 72) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0025126 k( 73) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0025126 k( 74) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0025126 k( 75) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0025126 k( 76) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0025126 k( 77) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0025126 k( 78) = ( 0.0000000 0.5000000 0.2058824), wk = 0.0025126 k( 79) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0025126 k( 80) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0025126 k( 81) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025126 k( 82) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0025126 k( 83) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0025126 k( 84) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0025126 k( 85) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0025126 k( 86) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0025126 k( 87) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0025126 k( 88) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0025126 k( 89) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0025126 k( 90) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0025126 k( 91) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0025126 k( 92) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0025126 k( 93) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0025126 k( 94) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0025126 k( 95) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0025126 k( 96) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0025126 k( 97) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0025126 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 100) = ( 0.0176231 0.4863730 0.5000000), wk = 0.0025126 k( 101) = ( 0.0352461 0.4727461 0.5000000), wk = 0.0025126 k( 102) = ( 0.0528691 0.4591191 0.5000000), wk = 0.0025126 k( 103) = ( 0.0704922 0.4454922 0.5000000), wk = 0.0025126 k( 104) = ( 0.0881152 0.4318652 0.5000000), wk = 0.0025126 k( 105) = ( 0.1057383 0.4182383 0.5000000), wk = 0.0025126 k( 106) = ( 0.1233613 0.4046113 0.5000000), wk = 0.0025126 k( 107) = ( 0.1409844 0.3909844 0.5000000), wk = 0.0025126 k( 108) = ( 0.1586074 0.3773574 0.5000000), wk = 0.0025126 k( 109) = ( 0.1762305 0.3637305 0.5000000), wk = 0.0025126 k( 110) = ( 0.1938535 0.3501035 0.5000000), wk = 0.0025126 k( 111) = ( 0.2114766 0.3364766 0.5000000), wk = 0.0025126 k( 112) = ( 0.2290996 0.3228496 0.5000000), wk = 0.0025126 k( 113) = ( 0.2467226 0.3092226 0.5000000), wk = 0.0025126 k( 114) = ( 0.2643457 0.2955957 0.5000000), wk = 0.0025126 k( 115) = ( 0.2819687 0.2819687 0.5000000), wk = 0.0025126 k( 116) = ( 0.2819687 0.2819687 0.5000000), wk = 0.0025126 k( 117) = ( 0.2757028 0.2757028 0.5000000), wk = 0.0025126 k( 118) = ( 0.2694368 0.2694368 0.5000000), wk = 0.0025126 k( 119) = ( 0.2631708 0.2631708 0.5000000), wk = 0.0025126 k( 120) = ( 0.2569049 0.2569048 0.5000000), wk = 0.0025126 k( 121) = ( 0.2506389 0.2506389 0.5000000), wk = 0.0025126 k( 122) = ( 0.2443729 0.2443729 0.5000000), wk = 0.0025126 k( 123) = ( 0.2381069 0.2381069 0.5000000), wk = 0.0025126 k( 124) = ( 0.2318410 0.2318410 0.5000000), wk = 0.0025126 k( 125) = ( 0.2255750 0.2255750 0.5000000), wk = 0.0025126 k( 126) = ( 0.2193090 0.2193090 0.5000000), wk = 0.0025126 k( 127) = ( 0.2130431 0.2130430 0.5000000), wk = 0.0025126 k( 128) = ( 0.2067771 0.2067771 0.5000000), wk = 0.0025126 k( 129) = ( 0.2005111 0.2005111 0.5000000), wk = 0.0025126 k( 130) = ( 0.1942451 0.1942451 0.5000000), wk = 0.0025126 k( 131) = ( 0.1879792 0.1879792 0.5000000), wk = 0.0025126 k( 132) = ( 0.1817132 0.1817132 0.5000000), wk = 0.0025126 k( 133) = ( 0.1754472 0.1754472 0.5000000), wk = 0.0025126 k( 134) = ( 0.1691812 0.1691812 0.5000000), wk = 0.0025126 k( 135) = ( 0.1629153 0.1629153 0.5000000), wk = 0.0025126 k( 136) = ( 0.1566493 0.1566493 0.5000000), wk = 0.0025126 k( 137) = ( 0.1503833 0.1503833 0.5000000), wk = 0.0025126 k( 138) = ( 0.1441174 0.1441174 0.5000000), wk = 0.0025126 k( 139) = ( 0.1378514 0.1378514 0.5000000), wk = 0.0025126 k( 140) = ( 0.1315854 0.1315854 0.5000000), wk = 0.0025126 k( 141) = ( 0.1253194 0.1253194 0.5000000), wk = 0.0025126 k( 142) = ( 0.1190535 0.1190535 0.5000000), wk = 0.0025126 k( 143) = ( 0.1127875 0.1127875 0.5000000), wk = 0.0025126 k( 144) = ( 0.1065215 0.1065215 0.5000000), wk = 0.0025126 k( 145) = ( 0.1002555 0.1002555 0.5000000), wk = 0.0025126 k( 146) = ( 0.0939896 0.0939896 0.5000000), wk = 0.0025126 k( 147) = ( 0.0877236 0.0877236 0.5000000), wk = 0.0025126 k( 148) = ( 0.0814576 0.0814576 0.5000000), wk = 0.0025126 k( 149) = ( 0.0751917 0.0751917 0.5000000), wk = 0.0025126 k( 150) = ( 0.0689257 0.0689257 0.5000000), wk = 0.0025126 k( 151) = ( 0.0626597 0.0626597 0.5000000), wk = 0.0025126 k( 152) = ( 0.0563937 0.0563937 0.5000000), wk = 0.0025126 k( 153) = ( 0.0501278 0.0501278 0.5000000), wk = 0.0025126 k( 154) = ( 0.0438618 0.0438618 0.5000000), wk = 0.0025126 k( 155) = ( 0.0375958 0.0375958 0.5000000), wk = 0.0025126 k( 156) = ( 0.0313299 0.0313299 0.5000000), wk = 0.0025126 k( 157) = ( 0.0250639 0.0250639 0.5000000), wk = 0.0025126 k( 158) = ( 0.0187979 0.0187979 0.5000000), wk = 0.0025126 k( 159) = ( 0.0125319 0.0125319 0.5000000), wk = 0.0025126 k( 160) = ( 0.0062660 0.0062660 0.5000000), wk = 0.0025126 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025126 k( 181) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0025126 k( 182) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0025126 k( 183) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0025126 k( 184) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025126 k( 185) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0025126 k( 186) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025126 k( 187) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0025126 k( 188) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025126 k( 189) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0025126 k( 190) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025126 k( 191) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0025126 k( 192) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025126 k( 193) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0025126 k( 194) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025126 k( 195) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0025126 k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 198) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0025126 k( 199) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0025126 k( 200) = ( -0.0517241 0.0517241 0.0000000), wk = 0.0025126 k( 201) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0025126 k( 202) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0025126 k( 203) = ( -0.1034483 0.1034483 0.0000000), wk = 0.0025126 k( 204) = ( -0.1206897 0.1206897 0.0000000), wk = 0.0025126 k( 205) = ( -0.1379310 0.1379310 0.0000000), wk = 0.0025126 k( 206) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0025126 k( 207) = ( -0.1724138 0.1724138 -0.0000000), wk = 0.0025126 k( 208) = ( -0.1896552 0.1896552 0.0000000), wk = 0.0025126 k( 209) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0025126 k( 210) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0025126 k( 211) = ( -0.2413793 0.2413793 0.0000000), wk = 0.0025126 k( 212) = ( -0.2586207 0.2586207 -0.0000000), wk = 0.0025126 k( 213) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0025126 k( 214) = ( -0.2931034 0.2931035 0.0000000), wk = 0.0025126 k( 215) = ( -0.3103448 0.3103448 0.0000000), wk = 0.0025126 k( 216) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0025126 k( 217) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0025126 k( 218) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0025126 k( 219) = ( -0.3793103 0.3793103 0.0000000), wk = 0.0025126 k( 220) = ( -0.3965517 0.3965517 0.0000000), wk = 0.0025126 k( 221) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0025126 k( 222) = ( -0.4310345 0.4310345 0.0000000), wk = 0.0025126 k( 223) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0025126 k( 224) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0025126 k( 225) = ( -0.4827586 0.4827586 0.0000000), wk = 0.0025126 k( 226) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 227) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 228) = ( -0.4937705 0.5062295 0.0000000), wk = 0.0025126 k( 229) = ( -0.4875411 0.5124589 -0.0000000), wk = 0.0025126 k( 230) = ( -0.4813116 0.5186884 -0.0000000), wk = 0.0025126 k( 231) = ( -0.4750821 0.5249179 -0.0000000), wk = 0.0025126 k( 232) = ( -0.4688527 0.5311473 0.0000000), wk = 0.0025126 k( 233) = ( -0.4626232 0.5373768 0.0000000), wk = 0.0025126 k( 234) = ( -0.4563937 0.5436063 0.0000000), wk = 0.0025126 k( 235) = ( -0.4501643 0.5498357 -0.0000000), wk = 0.0025126 k( 236) = ( -0.4439348 0.5560652 0.0000000), wk = 0.0025126 k( 237) = ( -0.4377053 0.5622947 0.0000000), wk = 0.0025126 k( 238) = ( -0.4314759 0.5685241 0.0000000), wk = 0.0025126 k( 239) = ( -0.4252464 0.5747536 0.0000000), wk = 0.0025126 k( 240) = ( -0.4190170 0.5809830 0.0000000), wk = 0.0025126 k( 241) = ( -0.4127875 0.5872125 0.0000000), wk = 0.0025126 k( 242) = ( -0.4065580 0.5934420 0.0000000), wk = 0.0025126 k( 243) = ( -0.4003286 0.5996714 0.0000000), wk = 0.0025126 k( 244) = ( -0.3940991 0.6059009 0.0000000), wk = 0.0025126 k( 245) = ( -0.3878696 0.6121304 0.0000000), wk = 0.0025126 k( 246) = ( -0.3816402 0.6183598 0.0000000), wk = 0.0025126 k( 247) = ( -0.3754107 0.6245893 0.0000000), wk = 0.0025126 k( 248) = ( -0.3691812 0.6308188 0.0000000), wk = 0.0025126 k( 249) = ( -0.3629518 0.6370482 0.0000000), wk = 0.0025126 k( 250) = ( -0.3567223 0.6432777 0.0000000), wk = 0.0025126 k( 251) = ( -0.3504929 0.6495072 0.0000000), wk = 0.0025126 k( 252) = ( -0.3442634 0.6557366 0.0000000), wk = 0.0025126 k( 253) = ( -0.3380339 0.6619661 0.0000000), wk = 0.0025126 k( 254) = ( -0.3318045 0.6681955 0.0000000), wk = 0.0025126 k( 255) = ( -0.3255750 0.6744250 0.0000000), wk = 0.0025126 k( 256) = ( -0.3193455 0.6806545 -0.0000000), wk = 0.0025126 k( 257) = ( -0.3131161 0.6868839 0.0000000), wk = 0.0025126 k( 258) = ( -0.3068866 0.6931134 0.0000000), wk = 0.0025126 k( 259) = ( -0.3006571 0.6993429 0.0000000), wk = 0.0025126 k( 260) = ( -0.2944277 0.7055723 0.0000000), wk = 0.0025126 k( 261) = ( -0.2881982 0.7118018 0.0000000), wk = 0.0025126 k( 262) = ( -0.2819687 0.7180313 0.0000000), wk = 0.0025126 k( 263) = ( -0.2819687 0.7180313 0.0000000), wk = 0.0025126 k( 264) = ( -0.2819687 0.7180313 0.0147059), wk = 0.0025126 k( 265) = ( -0.2819687 0.7180313 0.0294118), wk = 0.0025126 k( 266) = ( -0.2819687 0.7180313 0.0441177), wk = 0.0025126 k( 267) = ( -0.2819687 0.7180313 0.0588235), wk = 0.0025126 k( 268) = ( -0.2819687 0.7180313 0.0735294), wk = 0.0025126 k( 269) = ( -0.2819687 0.7180313 0.0882353), wk = 0.0025126 k( 270) = ( -0.2819687 0.7180313 0.1029412), wk = 0.0025126 k( 271) = ( -0.2819687 0.7180313 0.1176471), wk = 0.0025126 k( 272) = ( -0.2819687 0.7180313 0.1323529), wk = 0.0025126 k( 273) = ( -0.2819687 0.7180313 0.1470588), wk = 0.0025126 k( 274) = ( -0.2819687 0.7180313 0.1617647), wk = 0.0025126 k( 275) = ( -0.2819687 0.7180313 0.1764706), wk = 0.0025126 k( 276) = ( -0.2819687 0.7180313 0.1911765), wk = 0.0025126 k( 277) = ( -0.2819687 0.7180313 0.2058824), wk = 0.0025126 k( 278) = ( -0.2819687 0.7180313 0.2205882), wk = 0.0025126 k( 279) = ( -0.2819687 0.7180313 0.2352941), wk = 0.0025126 k( 280) = ( -0.2819687 0.7180313 0.2500000), wk = 0.0025126 k( 281) = ( -0.2819687 0.7180313 0.2647059), wk = 0.0025126 k( 282) = ( -0.2819687 0.7180313 0.2794118), wk = 0.0025126 k( 283) = ( -0.2819687 0.7180313 0.2941177), wk = 0.0025126 k( 284) = ( -0.2819687 0.7180313 0.3088235), wk = 0.0025126 k( 285) = ( -0.2819687 0.7180313 0.3235294), wk = 0.0025126 k( 286) = ( -0.2819687 0.7180313 0.3382353), wk = 0.0025126 k( 287) = ( -0.2819687 0.7180313 0.3529412), wk = 0.0025126 k( 288) = ( -0.2819687 0.7180313 0.3676471), wk = 0.0025126 k( 289) = ( -0.2819687 0.7180313 0.3823529), wk = 0.0025126 k( 290) = ( -0.2819687 0.7180313 0.3970588), wk = 0.0025126 k( 291) = ( -0.2819687 0.7180313 0.4117647), wk = 0.0025126 k( 292) = ( -0.2819687 0.7180313 0.4264706), wk = 0.0025126 k( 293) = ( -0.2819687 0.7180313 0.4411765), wk = 0.0025126 k( 294) = ( -0.2819687 0.7180313 0.4558823), wk = 0.0025126 k( 295) = ( -0.2819687 0.7180313 0.4705882), wk = 0.0025126 k( 296) = ( -0.2819687 0.7180313 0.4852941), wk = 0.0025126 k( 297) = ( -0.2819687 0.7180313 0.5000000), wk = 0.0025126 k( 298) = ( -0.2819687 0.7180313 0.5000000), wk = 0.0025126 k( 299) = ( -0.2881982 0.7118018 0.5000000), wk = 0.0025126 k( 300) = ( -0.2944277 0.7055723 0.5000000), wk = 0.0025126 k( 301) = ( -0.3006571 0.6993429 0.5000000), wk = 0.0025126 k( 302) = ( -0.3068866 0.6931134 0.5000000), wk = 0.0025126 k( 303) = ( -0.3131161 0.6868839 0.5000000), wk = 0.0025126 k( 304) = ( -0.3193455 0.6806545 0.5000000), wk = 0.0025126 k( 305) = ( -0.3255750 0.6744250 0.5000000), wk = 0.0025126 k( 306) = ( -0.3318045 0.6681955 0.5000000), wk = 0.0025126 k( 307) = ( -0.3380339 0.6619661 0.5000000), wk = 0.0025126 k( 308) = ( -0.3442634 0.6557366 0.5000000), wk = 0.0025126 k( 309) = ( -0.3504929 0.6495072 0.5000000), wk = 0.0025126 k( 310) = ( -0.3567223 0.6432777 0.5000000), wk = 0.0025126 k( 311) = ( -0.3629518 0.6370482 0.5000000), wk = 0.0025126 k( 312) = ( -0.3691812 0.6308188 0.5000000), wk = 0.0025126 k( 313) = ( -0.3754107 0.6245893 0.5000000), wk = 0.0025126 k( 314) = ( -0.3816402 0.6183598 0.5000000), wk = 0.0025126 k( 315) = ( -0.3878696 0.6121304 0.5000000), wk = 0.0025126 k( 316) = ( -0.3940991 0.6059009 0.5000000), wk = 0.0025126 k( 317) = ( -0.4003286 0.5996714 0.5000000), wk = 0.0025126 k( 318) = ( -0.4065580 0.5934420 0.5000000), wk = 0.0025126 k( 319) = ( -0.4127875 0.5872125 0.5000000), wk = 0.0025126 k( 320) = ( -0.4190170 0.5809830 0.5000000), wk = 0.0025126 k( 321) = ( -0.4252464 0.5747536 0.5000000), wk = 0.0025126 k( 322) = ( -0.4314759 0.5685241 0.5000000), wk = 0.0025126 k( 323) = ( -0.4377053 0.5622947 0.5000000), wk = 0.0025126 k( 324) = ( -0.4439348 0.5560652 0.5000000), wk = 0.0025126 k( 325) = ( -0.4501643 0.5498357 0.5000000), wk = 0.0025126 k( 326) = ( -0.4563937 0.5436063 0.5000000), wk = 0.0025126 k( 327) = ( -0.4626232 0.5373768 0.5000000), wk = 0.0025126 k( 328) = ( -0.4688527 0.5311473 0.5000000), wk = 0.0025126 k( 329) = ( -0.4750821 0.5249179 0.5000000), wk = 0.0025126 k( 330) = ( -0.4813116 0.5186884 0.5000000), wk = 0.0025126 k( 331) = ( -0.4875411 0.5124589 0.5000000), wk = 0.0025126 k( 332) = ( -0.4937705 0.5062295 0.5000000), wk = 0.0025126 k( 333) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 334) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 335) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0025126 k( 336) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0025126 k( 337) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0025126 k( 338) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0025126 k( 339) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0025126 k( 340) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0025126 k( 341) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0025126 k( 342) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0025126 k( 343) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0025126 k( 344) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0025126 k( 345) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0025126 k( 346) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0025126 k( 347) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0025126 k( 348) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0025126 k( 349) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0025126 k( 350) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0025126 k( 351) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025126 k( 352) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0025126 k( 353) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0025126 k( 354) = ( -0.5000000 0.5000000 0.2058824), wk = 0.0025126 k( 355) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0025126 k( 356) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0025126 k( 357) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0025126 k( 358) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0025126 k( 359) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0025126 k( 360) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0025126 k( 361) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0025126 k( 362) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0025126 k( 363) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0025126 k( 364) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0025126 k( 365) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0025126 k( 366) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0025126 k( 367) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0025126 k( 368) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025126 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 370) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0025126 k( 371) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0025126 k( 372) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0025126 k( 373) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0025126 k( 374) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0025126 k( 375) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0025126 k( 376) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0025126 k( 377) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0025126 k( 378) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0025126 k( 379) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0025126 k( 380) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0025126 k( 381) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0025126 k( 382) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0025126 k( 383) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0025126 k( 384) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0025126 k( 385) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0025126 k( 386) = ( -0.2931034 0.2931035 0.5000000), wk = 0.0025126 k( 387) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0025126 k( 388) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0025126 k( 389) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0025126 k( 390) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0025126 k( 391) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0025126 k( 392) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0025126 k( 393) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0025126 k( 394) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0025126 k( 395) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0025126 k( 396) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0025126 k( 397) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0025126 k( 398) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025126 Dense grid: 109637 G-vectors FFT dimensions: ( 75, 75, 60) Smooth grid: 32613 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 190, 34) NL pseudopotentials 0.19 Mb ( 95, 128) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2286) G-vector shells 0.01 Mb ( 1172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 190, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.13 Mb ( 128, 2, 34) The potential is recalculated from file : ./LaPd.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 42.9 secs Computing kpt #: 3 total cpu time spent up to now is 44.3 secs Computing kpt #: 4 total cpu time spent up to now is 45.7 secs Computing kpt #: 5 total cpu time spent up to now is 47.0 secs Computing kpt #: 6 total cpu time spent up to now is 48.5 secs Computing kpt #: 7 total cpu time spent up to now is 49.9 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 52.9 secs Computing kpt #: 10 total cpu time spent up to now is 54.5 secs Computing kpt #: 11 total cpu time spent up to now is 56.3 secs Computing kpt #: 12 total cpu time spent up to now is 58.1 secs Computing kpt #: 13 total cpu time spent up to now is 59.6 secs Computing kpt #: 14 total cpu time spent up to now is 61.1 secs Computing kpt #: 15 total cpu time spent up to now is 62.5 secs Computing kpt #: 16 total cpu time spent up to now is 63.9 secs Computing kpt #: 17 total cpu time spent up to now is 65.2 secs Computing kpt #: 18 total cpu time spent up to now is 66.8 secs Computing kpt #: 19 total cpu time spent up to now is 68.2 secs Computing kpt #: 20 total cpu time spent up to now is 69.7 secs Computing kpt #: 21 total cpu time spent up to now is 71.1 secs Computing kpt #: 22 total cpu time spent up to now is 72.6 secs Computing kpt #: 23 total cpu time spent up to now is 74.2 secs Computing kpt #: 24 total cpu time spent up to now is 75.8 secs Computing kpt #: 25 total cpu time spent up to now is 77.4 secs Computing kpt #: 26 total cpu time spent up to now is 79.0 secs Computing kpt #: 27 total cpu time spent up to now is 80.5 secs Computing kpt #: 28 total cpu time spent up to now is 81.9 secs Computing kpt #: 29 total cpu time spent up to now is 83.2 secs Computing kpt #: 30 total cpu time spent up to now is 84.7 secs Computing kpt #: 31 total cpu time spent up to now is 86.1 secs Computing kpt #: 32 total cpu time spent up to now is 87.5 secs Computing kpt #: 33 total cpu time spent up to now is 89.0 secs Computing kpt #: 34 total cpu time spent up to now is 90.5 secs Computing kpt #: 35 total cpu time spent up to now is 92.1 secs Computing kpt #: 36 total cpu time spent up to now is 93.7 secs Computing kpt #: 37 total cpu time spent up to now is 95.3 secs Computing kpt #: 38 total cpu time spent up to now is 96.8 secs Computing kpt #: 39 total cpu time spent up to now is 98.2 secs Computing kpt #: 40 total cpu time spent up to now is 99.5 secs Computing kpt #: 41 total cpu time spent up to now is 101.0 secs Computing kpt #: 42 total cpu time spent up to now is 102.6 secs Computing kpt #: 43 total cpu time spent up to now is 104.5 secs Computing kpt #: 44 total cpu time spent up to now is 105.9 secs Computing kpt #: 45 total cpu time spent up to now is 107.3 secs Computing kpt #: 46 total cpu time spent up to now is 108.7 secs Computing kpt #: 47 total cpu time spent up to now is 110.0 secs Computing kpt #: 48 total cpu time spent up to now is 111.3 secs Computing kpt #: 49 total cpu time spent up to now is 112.6 secs Computing kpt #: 50 total cpu time spent up to now is 113.9 secs Computing kpt #: 51 total cpu time spent up to now is 115.2 secs Computing kpt #: 52 total cpu time spent up to now is 116.4 secs Computing kpt #: 53 total cpu time spent up to now is 117.7 secs Computing kpt #: 54 total cpu time spent up to now is 118.9 secs Computing kpt #: 55 total cpu time spent up to now is 120.2 secs Computing kpt #: 56 total cpu time spent up to now is 121.4 secs Computing kpt #: 57 total cpu time spent up to now is 122.7 secs Computing kpt #: 58 total cpu time spent up to now is 124.0 secs Computing kpt #: 59 total cpu time spent up to now is 125.2 secs Computing kpt #: 60 total cpu time spent up to now is 126.4 secs Computing kpt #: 61 total cpu time spent up to now is 127.6 secs Computing kpt #: 62 total cpu time spent up to now is 129.0 secs Computing kpt #: 63 total cpu time spent up to now is 130.2 secs Computing kpt #: 64 total cpu time spent up to now is 131.4 secs Computing kpt #: 65 total cpu time spent up to now is 132.7 secs Computing kpt #: 66 total cpu time spent up to now is 133.9 secs Computing kpt #: 67 total cpu time spent up to now is 135.1 secs Computing kpt #: 68 total cpu time spent up to now is 136.5 secs Computing kpt #: 69 total cpu time spent up to now is 137.8 secs Computing kpt #: 70 total cpu time spent up to now is 139.0 secs Computing kpt #: 71 total cpu time spent up to now is 140.3 secs Computing kpt #: 72 total cpu time spent up to now is 141.5 secs Computing kpt #: 73 total cpu time spent up to now is 142.8 secs Computing kpt #: 74 total cpu time spent up to now is 144.2 secs Computing kpt #: 75 total cpu time spent up to now is 145.7 secs Computing kpt #: 76 total cpu time spent up to now is 147.5 secs Computing kpt #: 77 total cpu time spent up to now is 148.8 secs Computing kpt #: 78 total cpu time spent up to now is 150.2 secs Computing kpt #: 79 total cpu time spent up to now is 151.6 secs Computing kpt #: 80 total cpu time spent up to now is 153.2 secs Computing kpt #: 81 total cpu time spent up to now is 154.7 secs Computing kpt #: 82 total cpu time spent up to now is 156.3 secs Computing kpt #: 83 total cpu time spent up to now is 157.6 secs Computing kpt #: 84 total cpu time spent up to now is 158.9 secs Computing kpt #: 85 total cpu time spent up to now is 160.3 secs Computing kpt #: 86 total cpu time spent up to now is 161.8 secs Computing kpt #: 87 total cpu time spent up to now is 163.0 secs Computing kpt #: 88 total cpu time spent up to now is 164.3 secs Computing kpt #: 89 total cpu time spent up to now is 165.6 secs Computing kpt #: 90 total cpu time spent up to now is 167.1 secs Computing kpt #: 91 total cpu time spent up to now is 168.4 secs Computing kpt #: 92 total cpu time spent up to now is 169.7 secs Computing kpt #: 93 total cpu time spent up to now is 171.0 secs Computing kpt #: 94 total cpu time spent up to now is 172.3 secs Computing kpt #: 95 total cpu time spent up to now is 174.3 secs Computing kpt #: 96 total cpu time spent up to now is 175.7 secs Computing kpt #: 97 total cpu time spent up to now is 177.1 secs Computing kpt #: 98 total cpu time spent up to now is 178.3 secs Computing kpt #: 99 total cpu time spent up to now is 179.7 secs Computing kpt #: 100 total cpu time spent up to now is 181.5 secs Computing kpt #: 101 total cpu time spent up to now is 183.2 secs Computing kpt #: 102 total cpu time spent up to now is 184.7 secs Computing kpt #: 103 total cpu time spent up to now is 186.1 secs Computing kpt #: 104 total cpu time spent up to now is 187.9 secs Computing kpt #: 105 total cpu time spent up to now is 189.5 secs Computing kpt #: 106 total cpu time spent up to now is 191.2 secs Computing kpt #: 107 total cpu time spent up to now is 192.7 secs Computing kpt #: 108 total cpu time spent up to now is 194.1 secs Computing kpt #: 109 total cpu time spent up to now is 195.7 secs Computing kpt #: 110 total cpu time spent up to now is 197.1 secs Computing kpt #: 111 total cpu time spent up to now is 198.7 secs Computing kpt #: 112 total cpu time spent up to now is 200.1 secs Computing kpt #: 113 total cpu time spent up to now is 201.6 secs Computing kpt #: 114 total cpu time spent up to now is 203.1 secs Computing kpt #: 115 total cpu time spent up to now is 204.6 secs Computing kpt #: 116 total cpu time spent up to now is 206.1 secs Computing kpt #: 117 total cpu time spent up to now is 207.7 secs Computing kpt #: 118 total cpu time spent up to now is 209.1 secs Computing kpt #: 119 total cpu time spent up to now is 210.6 secs Computing kpt #: 120 total cpu time spent up to now is 212.1 secs Computing kpt #: 121 total cpu time spent up to now is 213.5 secs Computing kpt #: 122 total cpu time spent up to now is 215.1 secs Computing kpt #: 123 total cpu time spent up to now is 216.8 secs Computing kpt #: 124 total cpu time 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269.9 secs Computing kpt #: 155 total cpu time spent up to now is 271.8 secs Computing kpt #: 156 total cpu time spent up to now is 273.6 secs Computing kpt #: 157 total cpu time spent up to now is 275.6 secs Computing kpt #: 158 total cpu time spent up to now is 277.8 secs Computing kpt #: 159 total cpu time spent up to now is 280.1 secs Computing kpt #: 160 total cpu time spent up to now is 282.2 secs Computing kpt #: 161 total cpu time spent up to now is 284.2 secs Computing kpt #: 162 total cpu time spent up to now is 285.6 secs Computing kpt #: 163 total cpu time spent up to now is 287.4 secs Computing kpt #: 164 total cpu time spent up to now is 289.2 secs Computing kpt #: 165 total cpu time spent up to now is 290.8 secs Computing kpt #: 166 total cpu time spent up to now is 292.5 secs Computing kpt #: 167 total cpu time spent up to now is 294.2 secs Computing kpt #: 168 total cpu time spent up to now is 296.2 secs Computing kpt #: 169 total cpu time spent up to now is 298.0 secs Computing kpt #: 170 total cpu time spent up to now is 300.1 secs Computing kpt #: 171 total cpu time spent up to now is 302.0 secs Computing kpt #: 172 total cpu time spent up to now is 303.9 secs Computing kpt #: 173 total cpu time spent up to now is 305.7 secs Computing kpt #: 174 total cpu time spent up to now is 307.6 secs Computing kpt #: 175 total cpu time spent up to now is 309.2 secs Computing kpt #: 176 total cpu time spent up to now is 310.6 secs Computing kpt #: 177 total cpu time spent up to now is 312.0 secs Computing kpt #: 178 total cpu time spent up to now is 313.5 secs Computing kpt #: 179 total cpu time spent up to now is 315.1 secs Computing kpt #: 180 total cpu time spent up to now is 317.0 secs Computing kpt #: 181 total cpu time spent up to now is 318.3 secs Computing kpt #: 182 total cpu time spent up to now is 319.7 secs Computing kpt #: 183 total cpu time spent up to now is 321.0 secs Computing kpt #: 184 total cpu time spent up to now is 322.3 secs Computing kpt #: 185 total cpu time spent up to now is 323.7 secs Computing kpt #: 186 total cpu time spent up to now is 325.1 secs Computing kpt #: 187 total cpu time spent up to now is 326.6 secs Computing kpt #: 188 total cpu time spent up to now is 328.3 secs Computing kpt #: 189 total cpu time spent up to now is 329.9 secs Computing kpt #: 190 total cpu time spent up to now is 331.6 secs Computing kpt #: 191 total cpu time spent up to now is 333.4 secs Computing kpt #: 192 total cpu time spent up to now is 334.9 secs Computing kpt #: 193 total cpu time spent up to now is 336.4 secs Computing kpt #: 194 total cpu time spent up to now is 337.9 secs Computing kpt #: 195 total cpu time spent up to now is 339.7 secs Computing kpt #: 196 total cpu time spent up to now is 341.2 secs Computing kpt #: 197 total cpu time spent up to now is 342.6 secs Computing kpt #: 198 total cpu time spent up to now is 344.0 secs Computing kpt #: 199 total cpu time spent up to now is 345.3 secs Computing kpt #: 200 total cpu time spent up to now is 346.7 secs Computing kpt #: 201 total cpu time spent up to now is 348.1 secs Computing kpt #: 202 total cpu time spent up to now is 349.9 secs Computing kpt #: 203 total cpu time spent up to now is 351.3 secs Computing kpt #: 204 total cpu time spent up to now is 352.7 secs Computing kpt #: 205 total cpu time spent up to now is 354.1 secs Computing kpt #: 206 total cpu time spent up to now is 356.2 secs Computing kpt #: 207 total cpu time spent up to now is 357.6 secs Computing kpt #: 208 total cpu time spent up to now is 359.0 secs Computing kpt #: 209 total cpu time spent up to now is 360.5 secs Computing kpt #: 210 total cpu time spent up to now is 362.0 secs Computing kpt #: 211 total cpu time spent up to now is 363.8 secs Computing kpt #: 212 total cpu time spent up to now is 365.7 secs Computing kpt #: 213 total cpu time spent up to now is 367.5 secs Computing kpt #: 214 total cpu time spent up to now is 369.3 secs Computing kpt #: 215 total cpu time spent up to now is 370.9 secs Computing kpt #: 216 total cpu time spent up to now is 372.4 secs Computing kpt #: 217 total cpu time spent up to now is 374.0 secs Computing kpt #: 218 total cpu time spent up to now is 375.4 secs Computing kpt #: 219 total cpu time spent up to now is 376.8 secs Computing kpt #: 220 total cpu time spent up to now is 378.2 secs Computing kpt #: 221 total cpu time spent up to now is 379.5 secs Computing kpt #: 222 total cpu time spent up to now is 380.9 secs Computing kpt #: 223 total cpu time spent up to now is 382.3 secs Computing kpt #: 224 total cpu time spent up to now is 383.6 secs Computing kpt #: 225 total cpu time spent up to now is 385.0 secs Computing kpt #: 226 total cpu time spent up to now is 386.3 secs Computing kpt #: 227 total cpu time spent up to now is 387.6 secs Computing kpt #: 228 total cpu time spent up to now is 389.1 secs Computing kpt #: 229 total cpu time spent up to now is 390.4 secs Computing kpt #: 230 total cpu time spent up to now is 391.8 secs Computing kpt #: 231 total cpu time spent up to now is 393.1 secs Computing kpt #: 232 total cpu time spent up to now is 394.5 secs Computing kpt #: 233 total cpu time spent up to now is 395.9 secs Computing kpt #: 234 total cpu time spent up to now is 397.2 secs Computing kpt #: 235 total cpu time spent up to now is 398.5 secs Computing kpt #: 236 total cpu time spent up to now is 400.0 secs Computing kpt #: 237 total cpu time spent up to now is 401.4 secs Computing kpt #: 238 total cpu time spent up to now is 402.8 secs Computing kpt #: 239 total cpu time spent up to now is 404.2 secs Computing kpt #: 240 total cpu time spent up to now is 405.5 secs Computing kpt #: 241 total cpu time spent up to now is 406.8 secs Computing kpt #: 242 total cpu time spent up to now is 408.3 secs Computing kpt #: 243 total cpu time spent up to now is 409.8 secs Computing kpt #: 244 total cpu time spent up to now is 411.1 secs Computing kpt #: 245 total cpu time spent up to now is 412.5 secs Computing kpt #: 246 total cpu time spent up to now is 413.8 secs Computing kpt #: 247 total cpu time spent up to now is 415.5 secs Computing kpt #: 248 total cpu time spent up to now is 416.9 secs Computing kpt #: 249 total cpu time spent up to now is 418.2 secs Computing kpt #: 250 total cpu time spent up to now is 419.5 secs Computing kpt #: 251 total cpu time spent up to now is 420.8 secs Computing kpt #: 252 total cpu time spent up to now is 422.2 secs Computing kpt #: 253 total cpu time spent up to now is 423.5 secs Computing kpt #: 254 total cpu time spent up to now is 424.7 secs Computing kpt #: 255 total cpu time spent up to now is 426.0 secs Computing kpt #: 256 total cpu time spent up to now is 427.3 secs Computing kpt #: 257 total cpu time spent up to now is 428.5 secs Computing kpt #: 258 total cpu time spent up to now is 429.8 secs Computing kpt #: 259 total cpu time spent up to now is 431.0 secs Computing kpt #: 260 total cpu time spent up to now is 432.3 secs Computing kpt #: 261 total cpu time spent up to now is 433.6 secs Computing kpt #: 262 total cpu time spent up to now is 434.9 secs Computing kpt #: 263 total cpu time spent up to now is 436.1 secs Computing kpt #: 264 total cpu time spent up to now is 437.3 secs Computing kpt #: 265 total cpu time spent up to now is 438.8 secs Computing kpt #: 266 total cpu time spent up to now is 440.2 secs Computing kpt #: 267 total cpu time spent up to now is 441.5 secs Computing kpt #: 268 total cpu time spent up to now is 443.5 secs Computing kpt #: 269 total cpu time spent up to now is 444.8 secs Computing kpt #: 270 total cpu time spent up to now is 446.0 secs Computing kpt #: 271 total cpu time spent up to now is 447.3 secs Computing kpt #: 272 total cpu time spent up to now is 449.3 secs Computing kpt #: 273 total cpu time spent up to now is 450.6 secs Computing kpt #: 274 total cpu time spent up to now is 452.0 secs Computing kpt #: 275 total cpu time spent up to now is 453.2 secs Computing kpt #: 276 total cpu time spent up to now is 454.4 secs Computing kpt #: 277 total cpu time spent up to now is 455.6 secs Computing kpt #: 278 total cpu time spent up to now is 456.9 secs Computing kpt #: 279 total cpu time spent up to now is 458.2 secs Computing kpt #: 280 total cpu time spent up to now is 459.5 secs Computing kpt #: 281 total cpu time spent up to now is 460.8 secs Computing kpt #: 282 total cpu time spent up to now is 462.1 secs Computing kpt #: 283 total cpu time spent up to now is 463.3 secs Computing kpt #: 284 total cpu time spent up to now is 464.5 secs Computing kpt #: 285 total cpu time spent up to now is 466.3 secs Computing kpt #: 286 total cpu time spent up to now is 467.7 secs Computing kpt #: 287 total cpu time spent up to now is 469.0 secs Computing kpt #: 288 total cpu time spent up to now is 470.3 secs Computing kpt #: 289 total cpu time spent up to now is 471.8 secs Computing kpt #: 290 total cpu time spent up to now is 473.3 secs Computing kpt #: 291 total cpu time spent up to now is 474.7 secs Computing kpt #: 292 total cpu time spent up to now is 476.2 secs Computing kpt #: 293 total cpu time spent up to now is 477.7 secs Computing kpt #: 294 total cpu time spent up to now is 479.2 secs Computing kpt #: 295 total cpu time spent up to now is 480.7 secs Computing kpt #: 296 total cpu time spent up to now is 482.5 secs Computing kpt #: 297 total cpu time spent up to now is 484.2 secs Computing kpt #: 298 total cpu time spent up to now is 485.7 secs Computing kpt #: 299 total cpu time spent up to now is 487.1 secs Computing kpt #: 300 total cpu time spent up to now is 488.6 secs Computing kpt #: 301 total cpu time spent up to now is 490.1 secs Computing kpt #: 302 total cpu time spent up to now is 491.6 secs Computing kpt #: 303 total cpu time spent up to now is 493.4 secs Computing kpt #: 304 total cpu time spent up to now is 495.1 secs Computing kpt #: 305 total cpu time spent up to now is 496.7 secs Computing kpt #: 306 total cpu time spent up to now is 498.5 secs Computing kpt #: 307 total cpu time spent up to now is 500.6 secs Computing kpt #: 308 total cpu time spent up to now is 502.4 secs Computing kpt #: 309 total cpu time spent up to now is 504.3 secs Computing kpt #: 310 total cpu time spent up to now is 506.3 secs Computing kpt #: 311 total cpu time spent up to now is 508.3 secs Computing kpt #: 312 total cpu time spent up to now is 510.2 secs Computing kpt #: 313 total cpu time spent up to now is 512.0 secs Computing kpt #: 314 total cpu time spent up to now is 513.9 secs Computing kpt #: 315 total cpu time spent up to now is 515.9 secs Computing kpt #: 316 total cpu time spent up to now is 517.8 secs Computing kpt #: 317 total cpu time spent up to now is 519.6 secs Computing kpt #: 318 total cpu time spent up to now is 521.5 secs Computing kpt #: 319 total cpu time spent up to now is 523.3 secs Computing kpt #: 320 total cpu time spent up to now is 525.1 secs Computing kpt #: 321 total cpu time spent up to now is 526.9 secs Computing kpt #: 322 total cpu time spent up to now is 528.7 secs Computing kpt #: 323 total cpu time spent up to now is 530.6 secs Computing kpt #: 324 total cpu time spent up to now is 532.4 secs Computing kpt #: 325 total cpu time spent up to now is 534.4 secs Computing kpt #: 326 total cpu time spent up to now is 536.3 secs Computing kpt #: 327 total cpu time spent up to now is 538.2 secs Computing kpt #: 328 total cpu time spent up to now is 540.2 secs Computing kpt #: 329 total cpu time spent up to now is 542.5 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 545.0 secs Computing kpt #: 331 total cpu time spent up to now is 547.8 secs Computing kpt #: 332 total cpu time spent up to now is 550.3 secs Computing kpt #: 333 total cpu time spent up to now is 551.6 secs Computing kpt #: 334 total cpu time spent up to now is 553.0 secs Computing kpt #: 335 total cpu time spent up to now is 554.8 secs Computing kpt #: 336 total cpu time spent up to now is 556.7 secs Computing kpt #: 337 total cpu time spent up to now is 558.3 secs Computing kpt #: 338 total cpu time spent up to now is 559.9 secs Computing kpt #: 339 total cpu time spent up to now is 561.6 secs Computing kpt #: 340 total cpu time spent up to now is 563.1 secs Computing kpt #: 341 total cpu time spent up to now is 564.5 secs Computing kpt #: 342 total cpu time spent up to now is 566.1 secs Computing kpt #: 343 total cpu time spent up to now is 567.8 secs Computing kpt #: 344 total cpu time spent up to now is 569.3 secs Computing kpt #: 345 total cpu time spent up to now is 570.8 secs Computing kpt #: 346 total cpu time spent up to now is 572.3 secs Computing kpt #: 347 total cpu time spent up to now is 574.0 secs Computing kpt #: 348 total cpu time spent up to now is 576.1 secs Computing kpt #: 349 total cpu time spent up to now is 577.7 secs Computing kpt #: 350 total cpu time spent up to now is 579.3 secs Computing kpt #: 351 total cpu time spent up to now is 581.6 secs Computing kpt #: 352 total cpu time spent up to now is 583.7 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.2 secs Computing kpt #: 354 total cpu time spent up to now is 588.3 secs Computing kpt #: 355 total cpu time spent up to now is 590.3 secs Computing kpt #: 356 total cpu time spent up to now is 592.1 secs Computing kpt #: 357 total cpu time spent up to now is 593.6 secs Computing kpt #: 358 total cpu time spent up to now is 594.9 secs Computing kpt #: 359 total cpu time spent up to now is 596.3 secs Computing kpt #: 360 total cpu time spent up to now is 597.7 secs Computing kpt #: 361 total cpu time spent up to now is 599.1 secs Computing kpt #: 362 total cpu time spent up to now is 600.5 secs Computing kpt #: 363 total cpu time spent up to now is 602.1 secs Computing kpt #: 364 total cpu time spent up to now is 603.6 secs Computing kpt #: 365 total cpu time spent up to now is 605.0 secs Computing kpt #: 366 total cpu time spent up to now is 606.3 secs Computing kpt #: 367 total cpu time spent up to now is 607.8 secs Computing kpt #: 368 total cpu time spent up to now is 609.2 secs Computing kpt #: 369 total cpu time spent up to now is 610.6 secs Computing kpt #: 370 total cpu time spent up to now is 612.1 secs Computing kpt #: 371 total cpu time spent up to now is 613.5 secs Computing kpt #: 372 total cpu time spent up to now is 614.9 secs Computing kpt #: 373 total cpu time spent up to now is 616.5 secs Computing kpt #: 374 total cpu time spent up to now is 617.9 secs Computing kpt #: 375 total cpu time spent up to now is 619.7 secs Computing kpt #: 376 total cpu time spent up to now is 621.3 secs Computing kpt #: 377 total cpu time spent up to now is 622.8 secs Computing kpt #: 378 total cpu time spent up to now is 624.3 secs Computing kpt #: 379 total cpu time spent up to now is 625.9 secs Computing kpt #: 380 total cpu time spent up to now is 627.4 secs Computing kpt #: 381 total cpu time spent up to now is 628.9 secs Computing kpt #: 382 total cpu time spent up to now is 630.8 secs Computing kpt #: 383 total cpu time spent up to now is 632.4 secs Computing kpt #: 384 total cpu time spent up to now is 633.8 secs Computing kpt #: 385 total cpu time spent up to now is 635.2 secs Computing kpt #: 386 total cpu time spent up to now is 636.5 secs Computing kpt #: 387 total cpu time spent up to now is 638.0 secs Computing kpt #: 388 total cpu time spent up to now is 639.4 secs Computing kpt #: 389 total cpu time spent up to now is 641.2 secs Computing kpt #: 390 total cpu time spent up to now is 642.6 secs Computing kpt #: 391 total cpu time spent up to now is 643.9 secs Computing kpt #: 392 total cpu time spent up to now is 645.3 secs Computing kpt #: 393 total cpu time spent up to now is 646.7 secs Computing kpt #: 394 total cpu time spent up to now is 648.2 secs Computing kpt #: 395 total cpu time spent up to now is 649.7 secs Computing kpt #: 396 total cpu time spent up to now is 651.1 secs Computing kpt #: 397 total cpu time spent up to now is 652.4 secs Computing kpt #: 398 total cpu time spent up to now is 653.7 secs ethr = 3.85E-11, avg # of iterations = 43.3 total cpu time spent up to now is 653.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4077 PWs) bands (ev): 3.0992 3.0992 4.0864 4.0864 4.2064 4.2064 4.3117 4.3117 4.5189 4.5189 4.6328 4.6328 5.2020 5.2020 5.4236 5.4236 5.6509 5.6509 5.8746 5.8746 6.1530 6.1530 6.5124 6.5124 9.1395 9.1395 9.1427 9.1427 9.8426 9.8426 9.9113 9.9113 10.4910 10.4910 k = 0.0063 0.0175-0.0000 ( 4079 PWs) bands (ev): 3.1016 3.1016 4.0876 4.0876 4.2064 4.2064 4.3128 4.3128 4.5200 4.5200 4.6337 4.6337 5.2017 5.2017 5.4237 5.4237 5.6509 5.6509 5.8746 5.8746 6.1529 6.1529 6.5131 6.5131 9.1373 9.1373 9.1432 9.1432 9.8441 9.8441 9.8851 9.8851 10.4930 10.4930 k = 0.0125 0.0350-0.0000 ( 4073 PWs) bands (ev): 3.1086 3.1086 4.0912 4.0912 4.2066 4.2066 4.3159 4.3159 4.5232 4.5232 4.6365 4.6365 5.2007 5.2007 5.4240 5.4240 5.6509 5.6509 5.8745 5.8745 6.1524 6.1524 6.5153 6.5153 9.1299 9.1299 9.1454 9.1454 9.8145 9.8145 9.8494 9.8494 10.4992 10.4992 k = 0.0188 0.0526-0.0000 ( 4077 PWs) bands (ev): 3.1203 3.1203 4.0970 4.0970 4.2069 4.2069 4.3211 4.3211 4.5284 4.5284 4.6412 4.6412 5.1991 5.1991 5.4246 5.4246 5.6509 5.6509 5.8743 5.8743 6.1516 6.1516 6.5190 6.5190 9.1175 9.1175 9.1495 9.1495 9.7169 9.7169 9.8572 9.8572 10.5098 10.5098 k = 0.0251 0.0701-0.0000 ( 4069 PWs) bands (ev): 3.1365 3.1365 4.1051 4.1051 4.2075 4.2075 4.3283 4.3283 4.5356 4.5356 4.6477 4.6477 5.1970 5.1970 5.4255 5.4255 5.6508 5.6508 5.8742 5.8742 6.1505 6.1505 6.5242 6.5242 9.1005 9.1005 9.1551 9.1551 9.6038 9.6038 9.8682 9.8682 10.5246 10.5246 k = 0.0313 0.0876-0.0000 ( 4075 PWs) bands (ev): 3.1574 3.1574 4.1150 4.1150 4.2086 4.2086 4.3377 4.3377 4.5447 4.5447 4.6559 4.6559 5.1943 5.1943 5.4265 5.4265 5.6506 5.6506 5.8740 5.8740 6.1490 6.1490 6.5310 6.5310 9.0793 9.0793 9.1620 9.1620 9.4827 9.4827 9.8825 9.8825 10.5433 10.5433 k = 0.0376 0.1051-0.0000 ( 4079 PWs) bands (ev): 3.1827 3.1827 4.1265 4.1265 4.2104 4.2104 4.3492 4.3492 4.5555 4.5555 4.6658 4.6658 5.1911 5.1911 5.4278 5.4278 5.6502 5.6502 5.8738 5.8738 6.1471 6.1471 6.5393 6.5393 9.0545 9.0545 9.1694 9.1694 9.3583 9.3583 9.8997 9.8997 10.5656 10.5656 k = 0.0439 0.1227-0.0000 ( 4077 PWs) bands (ev): 3.2124 3.2124 4.1390 4.1390 4.2135 4.2135 4.3628 4.3628 4.5678 4.5678 4.6775 4.6775 5.1874 5.1874 5.4294 5.4294 5.6497 5.6497 5.8738 5.8738 6.1448 6.1448 6.5493 6.5493 9.0264 9.0264 9.1690 9.1690 9.2415 9.2415 9.9200 9.9200 10.5908 10.5908 k = 0.0501 0.1402-0.0000 ( 4073 PWs) bands (ev): 3.2464 3.2464 4.1517 4.1517 4.2187 4.2187 4.3784 4.3784 4.5813 4.5813 4.6908 4.6908 5.1835 5.1835 5.4313 5.4313 5.6489 5.6489 5.8738 5.8738 6.1420 6.1420 6.5608 6.5608 8.9954 8.9954 9.0872 9.0872 9.2071 9.2071 9.9433 9.9433 10.6179 10.6179 k = 0.0564 0.1577-0.0000 ( 4075 PWs) bands (ev): 3.2845 3.2845 4.1633 4.1633 4.2270 4.2270 4.3960 4.3960 4.5959 4.5959 4.7058 4.7058 5.1793 5.1793 5.4334 5.4334 5.6479 5.6479 5.8740 5.8740 6.1388 6.1388 6.5740 6.5740 8.9553 8.9553 8.9699 8.9699 9.2173 9.2173 9.9693 9.9693 10.6418 10.6418 k = 0.0627 0.1752-0.0000 ( 4077 PWs) bands (ev): 3.3267 3.3267 4.1730 4.1730 4.2391 4.2391 4.4155 4.4155 4.6113 4.6113 4.7224 4.7224 5.1749 5.1749 5.4358 5.4358 5.6465 5.6465 5.8744 5.8744 6.1351 6.1351 6.5888 6.5888 8.8345 8.8345 8.9292 8.9292 9.2326 9.2326 9.9979 9.9979 10.6200 10.6200 k = 0.0689 0.1927-0.0000 ( 4083 PWs) bands (ev): 3.3726 3.3726 4.1806 4.1806 4.2550 4.2550 4.4369 4.4369 4.6272 4.6272 4.7407 4.7407 5.1706 5.1706 5.4386 5.4386 5.6448 5.6448 5.8750 5.8750 6.1308 6.1308 6.6052 6.6052 8.7083 8.7083 8.8931 8.8931 9.2503 9.2503 10.0287 10.0287 10.5035 10.5035 k = 0.0752 0.2103-0.0000 ( 4083 PWs) bands (ev): 3.4223 3.4223 4.1869 4.1869 4.2739 4.2739 4.4601 4.4601 4.6434 4.6434 4.7607 4.7607 5.1663 5.1663 5.4416 5.4416 5.6427 5.6427 5.8759 5.8759 6.1261 6.1261 6.6233 6.6233 8.5835 8.5835 8.8565 8.8565 9.2702 9.2702 10.0607 10.0607 10.3681 10.3681 k = 0.0815 0.2278-0.0000 ( 4091 PWs) bands (ev): 3.4753 3.4753 4.1925 4.1925 4.2947 4.2947 4.4851 4.4851 4.6595 4.6595 4.7824 4.7824 5.1623 5.1623 5.4450 5.4450 5.6403 5.6403 5.8770 5.8770 6.1208 6.1208 6.6429 6.6429 8.4605 8.4605 8.8196 8.8196 9.2920 9.2920 10.0891 10.0891 10.2365 10.2365 k = 0.0877 0.2453-0.0000 ( 4095 PWs) bands (ev): 3.5315 3.5315 4.1980 4.1980 4.3164 4.3164 4.5119 4.5119 4.6755 4.6755 4.8056 4.8056 5.1587 5.1587 5.4488 5.4488 5.6376 5.6376 5.8783 5.8783 6.1150 6.1150 6.6641 6.6641 8.3396 8.3396 8.7826 8.7826 9.3157 9.3157 10.0587 10.0587 10.1665 10.1665 k = 0.0940 0.2628-0.0000 ( 4091 PWs) bands (ev): 3.5905 3.5905 4.2038 4.2038 4.3385 4.3385 4.5405 4.5405 4.6913 4.6913 4.8301 4.8301 5.1560 5.1560 5.4529 5.4529 5.6347 5.6347 5.8798 5.8798 6.1087 6.1087 6.6867 6.6867 8.2213 8.2213 8.7459 8.7459 9.3412 9.3412 9.9365 9.9365 10.1917 10.1917 k = 0.1003 0.2804-0.0000 ( 4087 PWs) bands (ev): 3.6520 3.6520 4.2103 4.2103 4.3603 4.3603 4.5709 4.5709 4.7065 4.7065 4.8555 4.8555 5.1544 5.1544 5.4574 5.4574 5.6316 5.6316 5.8816 5.8816 6.1020 6.1020 6.7105 6.7105 8.1056 8.1056 8.7099 8.7099 9.3686 9.3686 9.8043 9.8043 10.2304 10.2304 k = 0.1065 0.2979-0.0000 ( 4095 PWs) bands (ev): 3.7156 3.7156 4.2175 4.2175 4.3814 4.3814 4.6031 4.6031 4.7214 4.7214 4.8812 4.8812 5.1545 5.1545 5.4624 5.4624 5.6286 5.6286 5.8835 5.8835 6.0948 6.0948 6.7355 6.7355 7.9928 7.9928 8.6746 8.6746 9.3974 9.3974 9.6730 9.6730 10.2721 10.2721 k = 0.1128 0.3154-0.0000 ( 4093 PWs) bands (ev): 3.7807 3.7807 4.2255 4.2255 4.4012 4.4012 4.6372 4.6372 4.7358 4.7358 4.9064 4.9064 5.1569 5.1569 5.4677 5.4677 5.6258 5.6258 5.8856 5.8856 6.0871 6.0871 6.7615 6.7615 7.8831 7.8831 8.6403 8.6403 9.4262 9.4262 9.5457 9.5457 10.3147 10.3147 k = 0.1191 0.3329-0.0000 ( 4093 PWs) bands (ev): 3.8468 3.8468 4.2345 4.2345 4.4196 4.4196 4.6731 4.6731 4.7499 4.7499 4.9299 4.9299 5.1624 5.1624 5.4735 5.4735 5.6237 5.6237 5.8878 5.8878 6.0791 6.0791 6.7883 6.7883 7.7765 7.7765 8.6072 8.6072 9.4048 9.4048 9.4732 9.4732 10.3571 10.3571 k = 0.1253 0.3504-0.0000 ( 4093 PWs) bands (ev): 3.9133 3.9133 4.2444 4.2444 4.4363 4.4363 4.7104 4.7104 4.7646 4.7646 4.9505 4.9505 5.1720 5.1720 5.4797 5.4797 5.6225 5.6225 5.8902 5.8902 6.0708 6.0708 6.8157 6.8157 7.6733 7.6733 8.5754 8.5754 9.2868 9.2868 9.5021 9.5021 10.3983 10.3983 k = 0.1316 0.3680-0.0000 ( 4093 PWs) bands (ev): 3.9793 3.9793 4.2554 4.2554 4.4511 4.4511 4.7461 4.7461 4.7828 4.7828 4.9670 4.9670 5.1860 5.1860 5.4863 5.4863 5.6229 5.6229 5.8927 5.8927 6.0623 6.0623 6.8436 6.8436 7.5736 7.5736 8.5450 8.5450 9.1667 9.1667 9.5384 9.5384 10.4371 10.4371 k = 0.1379 0.3855-0.0000 ( 4091 PWs) bands (ev): 4.0441 4.0441 4.2674 4.2674 4.4639 4.4639 4.7712 4.7712 4.8140 4.8140 4.9792 4.9792 5.2042 5.2042 5.4933 5.4933 5.6255 5.6255 5.8953 5.8953 6.0536 6.0536 6.8716 6.8716 7.4774 7.4774 8.5158 8.5158 9.0495 9.0495 9.5771 9.5771 10.4717 10.4717 k = 0.1441 0.4030-0.0000 ( 4091 PWs) bands (ev): 4.1066 4.1066 4.2805 4.2805 4.4748 4.4748 4.7857 4.7857 4.8579 4.8579 4.9877 4.9877 5.2254 5.2254 5.5005 5.5005 5.6313 5.6313 5.8981 5.8981 6.0447 6.0447 6.8997 6.8997 7.3849 7.3849 8.4880 8.4880 8.9358 8.9358 9.6180 9.6180 10.4985 10.4985 k = 0.1504 0.4205-0.0000 ( 4095 PWs) bands (ev): 4.1660 4.1660 4.2946 4.2946 4.4839 4.4839 4.7964 4.7964 4.9066 4.9066 4.9948 4.9948 5.2477 5.2477 5.5078 5.5078 5.6411 5.6411 5.9012 5.9012 6.0359 6.0359 6.9278 6.9278 7.2963 7.2963 8.4612 8.4612 8.8261 8.8261 9.6609 9.6609 10.4991 10.4991 k = 0.1566 0.4381-0.0000 ( 4095 PWs) bands (ev): 4.2213 4.2213 4.3099 4.3099 4.4912 4.4912 4.8052 4.8052 4.9508 4.9508 5.0084 5.0084 5.2696 5.2696 5.5149 5.5149 5.6557 5.6557 5.9047 5.9047 6.0271 6.0271 6.9556 6.9556 7.2118 7.2118 8.4352 8.4352 8.7210 8.7210 9.7057 9.7057 10.4592 10.4592 k = 0.1629 0.4556-0.0000 ( 4085 PWs) bands (ev): 4.2716 4.2716 4.3263 4.3263 4.4970 4.4970 4.8126 4.8126 4.9706 4.9706 5.0485 5.0485 5.2899 5.2899 5.5220 5.5220 5.6754 5.6754 5.9089 5.9089 6.0186 6.0186 6.9827 6.9827 7.1317 7.1317 8.4089 8.4089 8.6214 8.6214 9.7524 9.7524 10.4135 10.4135 k = 0.1692 0.4731-0.0000 ( 4085 PWs) bands (ev): 4.3155 4.3155 4.3447 4.3447 4.5016 4.5016 4.8189 4.8189 4.9732 4.9732 5.1066 5.1066 5.3089 5.3089 5.5292 5.5292 5.6998 5.6998 5.9143 5.9143 6.0105 6.0105 7.0059 7.0059 7.0597 7.0597 8.3800 8.3800 8.5299 8.5299 9.8009 9.8009 10.3698 10.3698 k = 0.1754 0.4906-0.0000 ( 4079 PWs) bands (ev): 4.3497 4.3497 4.3677 4.3677 4.5053 4.5053 4.8239 4.8239 4.9708 4.9708 5.1672 5.1672 5.3290 5.3290 5.5370 5.5370 5.7276 5.7276 5.9213 5.9213 6.0031 6.0031 6.9741 6.9741 7.0468 7.0468 8.3418 8.3418 8.4533 8.4533 9.8512 9.8512 10.3292 10.3292 k = 0.1817 0.5082-0.0000 ( 4081 PWs) bands (ev): 4.3732 4.3732 4.3960 4.3960 4.5088 4.5088 4.8278 4.8278 4.9665 4.9665 5.2199 5.2199 5.3560 5.3560 5.5462 5.5462 5.7572 5.7572 5.9306 5.9306 5.9968 5.9968 6.9081 6.9081 7.0728 7.0728 8.2844 8.2844 8.4015 8.4015 9.9032 9.9032 10.2919 10.2919 k = 0.1880 0.5257-0.0000 ( 4073 PWs) bands (ev): 4.3933 4.3933 4.4215 4.4215 4.5127 4.5127 4.8307 4.8307 4.9612 4.9612 5.2544 5.2544 5.3964 5.3964 5.5588 5.5588 5.7869 5.7869 5.9428 5.9428 5.9927 5.9927 6.8440 6.8440 7.1018 7.1018 8.2121 8.2121 8.3703 8.3703 9.9568 9.9568 10.2581 10.2581 k = 0.1942 0.5432-0.0000 ( 4075 PWs) bands (ev): 4.4129 4.4129 4.4409 4.4409 4.5179 4.5179 4.8325 4.8325 4.9552 4.9552 5.2709 5.2709 5.4438 5.4438 5.5781 5.5781 5.8157 5.8157 5.9576 5.9576 5.9933 5.9933 6.7837 6.7837 7.1324 7.1324 8.1363 8.1363 8.3484 8.3484 10.0118 10.0118 10.2278 10.2278 k = 0.2005 0.5607-0.0000 ( 4070 PWs) bands (ev): 4.4321 4.4321 4.4539 4.4539 4.5250 4.5250 4.8332 4.8332 4.9488 4.9488 5.2767 5.2767 5.4825 5.4825 5.6082 5.6082 5.8427 5.8427 5.9727 5.9727 6.0041 6.0041 6.7274 6.7274 7.1648 7.1648 8.0622 8.0622 8.3309 8.3309 10.0678 10.0678 10.2011 10.2011 k = 0.2068 0.5782-0.0000 ( 4078 PWs) bands (ev): 4.4485 4.4485 4.4637 4.4637 4.5333 4.5333 4.8330 4.8330 4.9422 4.9422 5.2771 5.2771 5.5061 5.5061 5.6449 5.6449 5.8657 5.8657 5.9885 5.9885 6.0310 6.0310 6.6752 6.6752 7.1991 7.1991 7.9916 7.9916 8.3162 8.3162 10.1226 10.1226 10.1793 10.1793 k = 0.2130 0.5958-0.0000 ( 4078 PWs) bands (ev): 4.4558 4.4558 4.4784 4.4784 4.5413 4.5413 4.8319 4.8319 4.9354 4.9354 5.2742 5.2742 5.5195 5.5195 5.6768 5.6768 5.8804 5.8804 6.0073 6.0073 6.0786 6.0786 6.6271 6.6271 7.2355 7.2355 7.9253 7.9253 8.3040 8.3040 10.1451 10.1451 10.1863 10.1863 k = 0.2193 0.6133-0.0000 ( 4078 PWs) bands (ev): 4.4562 4.4562 4.4972 4.4972 4.5480 4.5480 4.8299 4.8299 4.9286 4.9286 5.2694 5.2694 5.5275 5.5275 5.6980 5.6980 5.8860 5.8860 6.0253 6.0253 6.1499 6.1499 6.5832 6.5832 7.2737 7.2737 7.8638 7.8638 8.2945 8.2945 10.1173 10.1173 10.1643 10.1643 k = 0.2256 0.6308-0.0000 ( 4078 PWs) bands (ev): 4.4540 4.4540 4.5166 4.5166 4.5528 4.5528 4.8272 4.8272 4.9217 4.9217 5.2632 5.2632 5.5325 5.5325 5.7089 5.7089 5.8862 5.8862 6.0389 6.0389 6.2404 6.2404 6.5435 6.5435 7.3133 7.3133 7.8074 7.8074 8.2882 8.2882 10.0573 10.0573 10.1376 10.1376 k = 0.2318 0.6483-0.0000 ( 4086 PWs) bands (ev): 4.4505 4.4505 4.5358 4.5358 4.5555 4.5555 4.8236 4.8236 4.9148 4.9148 5.2561 5.2561 5.5356 5.5356 5.7117 5.7117 5.8841 5.8841 6.0470 6.0470 6.3431 6.3431 6.5084 6.5084 7.3531 7.3531 7.7563 7.7563 8.2859 8.2859 9.9829 9.9829 10.1248 10.1248 k = 0.2381 0.6659-0.0000 ( 4078 PWs) bands (ev): 4.4460 4.4460 4.5530 4.5530 4.5577 4.5577 4.8194 4.8194 4.9078 4.9078 5.2482 5.2482 5.5371 5.5371 5.7083 5.7083 5.8816 5.8816 6.0493 6.0493 6.4445 6.4445 6.4870 6.4870 7.3918 7.3918 7.7109 7.7109 8.2890 8.2890 9.9052 9.9052 10.1173 10.1173 k = 0.2444 0.6834-0.0000 ( 4084 PWs) bands (ev): 4.4410 4.4410 4.5543 4.5543 4.5732 4.5732 4.8143 4.8143 4.9007 4.9007 5.2399 5.2399 5.5374 5.5374 5.6996 5.6996 5.8797 5.8797 6.0458 6.0458 6.4413 6.4413 6.5793 6.5793 7.4274 7.4274 7.6713 7.6713 8.2989 8.2989 9.8268 9.8268 10.1135 10.1135 k = 0.2506 0.7009-0.0000 ( 4080 PWs) bands (ev): 4.4355 4.4355 4.5518 4.5518 4.5900 4.5900 4.8086 4.8086 4.8934 4.8934 5.2311 5.2311 5.5366 5.5366 5.6864 5.6864 5.8788 5.8788 6.0368 6.0368 6.4167 6.4167 6.7001 6.7001 7.4577 7.4577 7.6377 7.6377 8.3174 8.3174 9.7488 9.7488 10.1131 10.1131 k = 0.2569 0.7184-0.0000 ( 4084 PWs) bands (ev): 4.4295 4.4295 4.5481 4.5481 4.6055 4.6055 4.8021 4.8021 4.8859 4.8859 5.2219 5.2219 5.5348 5.5348 5.6695 5.6695 5.8791 5.8791 6.0227 6.0227 6.3938 6.3938 6.8248 6.8248 7.4808 7.4808 7.6104 7.6104 8.3458 8.3458 9.6719 9.6719 10.1157 10.1157 k = 0.2632 0.7359-0.0000 ( 4076 PWs) bands (ev): 4.4231 4.4231 4.5438 4.5438 4.6196 4.6196 4.7949 4.7949 4.8781 4.8781 5.2124 5.2124 5.5322 5.5322 5.6493 5.6493 5.8806 5.8806 6.0042 6.0042 6.3730 6.3730 6.9511 6.9511 7.4957 7.4957 7.5893 7.5893 8.3851 8.3851 9.5968 9.5968 10.1212 10.1212 k = 0.2694 0.7535-0.0000 ( 4080 PWs) bands (ev): 4.4163 4.4163 4.5392 4.5392 4.6319 4.6319 4.7869 4.7869 4.8700 4.8700 5.2025 5.2025 5.5287 5.5287 5.6264 5.6264 5.8830 5.8830 5.9818 5.9818 6.3543 6.3543 7.0777 7.0777 7.5030 7.5030 7.5739 7.5739 8.4355 8.4355 9.5239 9.5239 10.1295 10.1295 k = 0.2757 0.7710-0.0000 ( 4086 PWs) bands (ev): 4.4090 4.4090 4.5347 4.5347 4.6422 4.6422 4.7781 4.7781 4.8615 4.8615 5.1923 5.1923 5.5245 5.5245 5.6013 5.6013 5.8856 5.8856 5.9565 5.9565 6.3374 6.3374 7.2016 7.2016 7.5056 7.5056 7.5632 7.5632 8.4962 8.4962 9.4538 9.4538 10.1402 10.1402 k = 0.2820 0.7885-0.0000 ( 4086 PWs) bands (ev): 4.4012 4.4012 4.5305 4.5305 4.6503 4.6503 4.7685 4.7685 4.8529 4.8529 5.1815 5.1815 5.5192 5.5192 5.5747 5.5747 5.8866 5.8866 5.9306 5.9306 6.3220 6.3220 7.3146 7.3146 7.5122 7.5122 7.5575 7.5575 8.5659 8.5659 9.3868 9.3868 10.1533 10.1533 k = 0.2820 0.7885-0.0000 ( 4086 PWs) bands (ev): 4.4012 4.4012 4.5305 4.5305 4.6503 4.6503 4.7685 4.7685 4.8529 4.8529 5.1815 5.1815 5.5192 5.5192 5.5747 5.5747 5.8866 5.8866 5.9306 5.9306 6.3220 6.3220 7.3146 7.3146 7.5122 7.5122 7.5575 7.5575 8.5659 8.5659 9.3868 9.3868 10.1533 10.1533 k = 0.2643 0.7885-0.0000 ( 4082 PWs) bands (ev): 4.4042 4.4042 4.5318 4.5318 4.6480 4.6480 4.7712 4.7712 4.8556 4.8556 5.1841 5.1841 5.5208 5.5208 5.5852 5.5852 5.8864 5.8864 5.9385 5.9385 6.3259 6.3259 7.2731 7.2731 7.5143 7.5143 7.5609 7.5609 8.5466 8.5466 9.4043 9.4043 10.1422 10.1422 k = 0.2467 0.7885-0.0000 ( 4080 PWs) bands (ev): 4.4082 4.4082 4.5333 4.5333 4.6457 4.6457 4.7727 4.7727 4.8583 4.8583 5.1849 5.1849 5.5220 5.5220 5.5996 5.5996 5.8853 5.8853 5.9464 5.9464 6.3282 6.3282 7.2195 7.2195 7.5242 7.5242 7.5689 7.5689 8.5358 8.5358 9.4150 9.4150 10.1184 10.1184 k = 0.2291 0.7885-0.0000 ( 4082 PWs) bands (ev): 4.4131 4.4131 4.5349 4.5349 4.6433 4.6433 4.7731 4.7731 4.8608 4.8608 5.1837 5.1837 5.5231 5.5231 5.6175 5.6175 5.8836 5.8836 5.9539 5.9539 6.3293 6.3293 7.1607 7.1607 7.5360 7.5360 7.5803 7.5803 8.5332 8.5332 9.4191 9.4191 10.0837 10.0837 k = 0.2115 0.7885-0.0000 ( 4080 PWs) bands (ev): 4.4187 4.4187 4.5368 4.5368 4.6412 4.6412 4.7724 4.7724 4.8630 4.8630 5.1808 5.1808 5.5242 5.5242 5.6385 5.6385 5.8816 5.8816 5.9607 5.9607 6.3293 6.3293 7.0997 7.0997 7.5480 7.5480 7.5940 7.5940 8.5383 8.5383 9.4169 9.4169 10.0409 10.0409 k = 0.1939 0.7885-0.0000 ( 4082 PWs) bands (ev): 4.4249 4.4249 4.5389 4.5389 4.6392 4.6392 4.7706 4.7706 4.8650 4.8650 5.1763 5.1763 5.5255 5.5255 5.6622 5.6622 5.8794 5.8794 5.9667 5.9667 6.3287 6.3287 7.0382 7.0382 7.5599 7.5599 7.6086 7.6086 8.5504 8.5504 9.4088 9.4088 9.9928 9.9928 k = 0.1762 0.7885-0.0000 ( 4079 PWs) bands (ev): 4.4316 4.4316 4.5412 4.5412 4.6374 4.6374 4.7679 4.7679 4.8667 4.8667 5.1706 5.1706 5.5269 5.5269 5.6878 5.6878 5.8772 5.8772 5.9718 5.9718 6.3279 6.3279 6.9769 6.9769 7.5718 7.5718 7.6235 7.6235 8.5686 8.5686 9.3952 9.3952 9.9420 9.9420 k = 0.1586 0.7885-0.0000 ( 4083 PWs) bands (ev): 4.4386 4.4386 4.5437 4.5437 4.6360 4.6360 4.7643 4.7643 4.8681 4.8681 5.1640 5.1640 5.5285 5.5285 5.7149 5.7149 5.8752 5.8752 5.9761 5.9761 6.3274 6.3274 6.9166 6.9166 7.5836 7.5836 7.6384 7.6384 8.5919 8.5919 9.3770 9.3770 9.8908 9.8908 k = 0.1410 0.7885-0.0000 ( 4083 PWs) bands (ev): 4.4458 4.4458 4.5463 4.5463 4.6349 4.6349 4.7602 4.7602 4.8692 4.8692 5.1569 5.1569 5.5302 5.5302 5.7426 5.7426 5.8735 5.8735 5.9794 5.9794 6.3278 6.3278 6.8576 6.8576 7.5949 7.5949 7.6531 7.6531 8.6193 8.6193 9.3548 9.3548 9.8407 9.8407 k = 0.1234 0.7885-0.0000 ( 4082 PWs) bands (ev): 4.4528 4.4528 4.5490 4.5490 4.6341 4.6341 4.7555 4.7555 4.8701 4.8701 5.1497 5.1497 5.5319 5.5319 5.7698 5.7698 5.8725 5.8725 5.9818 5.9818 6.3296 6.3296 6.8003 6.8003 7.6055 7.6055 7.6675 7.6675 8.6497 8.6497 9.3293 9.3293 9.7934 9.7934 k = 0.1057 0.7885-0.0000 ( 4079 PWs) bands (ev): 4.4596 4.4596 4.5516 4.5516 4.6337 4.6337 4.7506 4.7506 4.8707 4.8707 5.1427 5.1427 5.5336 5.5336 5.7953 5.7953 5.8729 5.8729 5.9832 5.9832 6.3336 6.3336 6.7451 6.7451 7.6151 7.6151 7.6814 7.6814 8.6819 8.6819 9.3016 9.3016 9.7498 9.7498 k = 0.0881 0.7885-0.0000 ( 4075 PWs) bands (ev): 4.4658 4.4658 4.5542 4.5542 4.6336 4.6336 4.7457 4.7457 4.8712 4.8712 5.1362 5.1362 5.5352 5.5352 5.8169 5.8169 5.8759 5.8759 5.9836 5.9836 6.3403 6.3403 6.6926 6.6926 7.6236 7.6236 7.6942 7.6942 8.7147 8.7147 9.2727 9.2727 9.7112 9.7112 k = 0.0705 0.7885-0.0000 ( 4077 PWs) bands (ev): 4.4712 4.4712 4.5564 4.5564 4.6337 4.6337 4.7411 4.7411 4.8715 4.8715 5.1305 5.1305 5.5366 5.5366 5.8319 5.8319 5.8834 5.8834 5.9831 5.9831 6.3501 6.3501 6.6433 6.6433 7.6308 7.6308 7.7056 7.7056 8.7467 8.7467 9.2439 9.2439 9.6783 9.6783 k = 0.0529 0.7885-0.0000 ( 4074 PWs) bands (ev): 4.4757 4.4757 4.5584 4.5584 4.6340 4.6340 4.7370 4.7370 4.8717 4.8717 5.1258 5.1258 5.5378 5.5378 5.8396 5.8396 5.8952 5.8952 5.9817 5.9817 6.3631 6.3631 6.5983 6.5983 7.6366 7.6366 7.7151 7.7151 8.7760 8.7760 9.2171 9.2171 9.6519 9.6519 k = 0.0352 0.7885-0.0000 ( 4073 PWs) bands (ev): 4.4790 4.4790 4.5599 4.5599 4.6344 4.6344 4.7337 4.7337 4.8719 4.8719 5.1223 5.1223 5.5386 5.5386 5.8429 5.8429 5.9076 5.9076 5.9797 5.9797 6.3785 6.3785 6.5594 6.5594 7.6408 7.6408 7.7222 7.7222 8.8003 8.8003 9.1946 9.1946 9.6326 9.6326 k = 0.0176 0.7885-0.0000 ( 4077 PWs) bands (ev): 4.4810 4.4810 4.5608 4.5608 4.6347 4.6347 4.7317 4.7317 4.8719 4.8719 5.1202 5.1202 5.5391 5.5391 5.8441 5.8441 5.9167 5.9167 5.9777 5.9777 6.3931 6.3931 6.5303 6.5303 7.6434 7.6434 7.7266 7.7266 8.8167 8.8167 9.1793 9.1793 9.6208 9.6208 k = 0.0000 0.7885-0.0000 ( 4078 PWs) bands (ev): 4.4817 4.4817 4.5611 4.5611 4.6348 4.6348 4.7310 4.7310 4.8719 4.8719 5.1195 5.1195 5.5393 5.5393 5.8445 5.8445 5.9201 5.9201 5.9768 5.9768 6.3999 6.3999 6.5187 6.5187 7.6443 7.6443 7.7281 7.7281 8.8226 8.8226 9.1738 9.1738 9.6168 9.6168 k = 0.0000 0.7885-0.0000 ( 4078 PWs) bands (ev): 4.4817 4.4817 4.5611 4.5611 4.6348 4.6348 4.7310 4.7310 4.8719 4.8719 5.1195 5.1195 5.5393 5.5393 5.8445 5.8445 5.9201 5.9201 5.9768 5.9768 6.3999 6.3999 6.5187 6.5187 7.6443 7.6443 7.7281 7.7281 8.8226 8.8226 9.1738 9.1738 9.6168 9.6168 k = 0.0000 0.7885 0.0185 ( 4074 PWs) bands (ev): 4.4814 4.4814 4.5596 4.5596 4.6341 4.6341 4.7298 4.7298 4.8711 4.8711 5.1234 5.1234 5.5394 5.5394 5.8417 5.8417 5.9203 5.9203 5.9787 5.9787 6.3997 6.3997 6.5221 6.5221 7.6447 7.6447 7.7259 7.7259 8.8182 8.8182 9.1798 9.1798 9.6162 9.6162 k = 0.0000 0.7885 0.0370 ( 4078 PWs) bands (ev): 4.4804 4.4804 4.5553 4.5553 4.6323 4.6323 4.7261 4.7261 4.8688 4.8688 5.1346 5.1346 5.5395 5.5395 5.8330 5.8330 5.9220 5.9220 5.9834 5.9834 6.3996 6.3996 6.5315 6.5315 7.6453 7.6453 7.7203 7.7203 8.8051 8.8051 9.1975 9.1975 9.6145 9.6145 k = 0.0000 0.7885 0.0555 ( 4078 PWs) bands (ev): 4.4776 4.4776 4.5495 4.5495 4.6294 4.6294 4.7200 4.7200 4.8662 4.8662 5.1516 5.1516 5.5400 5.5400 5.8181 5.8181 5.9269 5.9269 5.9894 5.9894 6.4008 6.4008 6.5452 6.5452 7.6445 7.6445 7.7144 7.7144 8.7839 8.7839 9.2256 9.2256 9.6117 9.6117 k = 0.0000 0.7885 0.0739 ( 4078 PWs) bands (ev): 4.4715 4.4715 4.5442 4.5442 4.6257 4.6257 4.7117 4.7117 4.8643 4.8643 5.1725 5.1725 5.5412 5.5412 5.7981 5.7981 5.9349 5.9349 5.9956 5.9956 6.4043 6.4043 6.5612 6.5612 7.6395 7.6395 7.7129 7.7129 8.7554 8.7554 9.2626 9.2626 9.6078 9.6078 k = 0.0000 0.7885 0.0924 ( 4072 PWs) bands (ev): 4.4606 4.4606 4.5413 4.5413 4.6214 4.6214 4.7016 4.7016 4.8635 4.8635 5.1956 5.1956 5.5435 5.5435 5.7742 5.7742 5.9449 5.9449 6.0018 6.0018 6.4110 6.4110 6.5775 6.5775 7.6301 7.6301 7.7186 7.7186 8.7206 8.7206 9.3062 9.3062 9.6029 9.6029 k = 0.0000 0.7885 0.1109 ( 4076 PWs) bands (ev): 4.4447 4.4447 4.5418 4.5418 4.6165 4.6165 4.6902 4.6902 4.8639 4.8639 5.2193 5.2193 5.5470 5.5470 5.7479 5.7479 5.9551 5.9551 6.0080 6.0080 6.4216 6.4216 6.5922 6.5922 7.6196 7.6196 7.7310 7.7310 8.6808 8.6808 9.3542 9.3542 9.5973 9.5973 k = 0.0000 0.7885 0.1294 ( 4080 PWs) bands (ev): 4.4247 4.4247 4.5451 4.5451 4.6109 4.6109 4.6781 4.6781 4.8654 4.8654 5.2425 5.2425 5.5522 5.5522 5.7201 5.7201 5.9643 5.9643 6.0142 6.0142 6.4366 6.4366 6.6035 6.6035 7.6119 7.6119 7.7486 7.7486 8.6371 8.6371 9.4042 9.4042 9.5912 9.5912 k = 0.0000 0.7885 0.1479 ( 4082 PWs) bands (ev): 4.4021 4.4021 4.5501 4.5501 4.6051 4.6051 4.6660 4.6660 4.8676 4.8676 5.2641 5.2641 5.5588 5.5588 5.6919 5.6919 5.9714 5.9714 6.0205 6.0205 6.4561 6.4561 6.6100 6.6100 7.6104 7.6104 7.7707 7.7707 8.5909 8.5909 9.4534 9.4534 9.5853 9.5853 k = 0.0000 0.7885 0.1664 ( 4080 PWs) bands (ev): 4.3780 4.3780 4.5552 4.5552 4.5996 4.5996 4.6546 4.6546 4.8702 4.8702 5.2834 5.2834 5.5667 5.5667 5.6641 5.6641 5.9761 5.9761 6.0266 6.0266 6.4798 6.4798 6.6109 6.6109 7.6172 7.6172 7.7966 7.7966 8.5433 8.5433 9.4979 9.4979 9.5810 9.5810 k = 0.0000 0.7885 0.1849 ( 4074 PWs) bands (ev): 4.3533 4.3533 4.5580 4.5580 4.5961 4.5961 4.6445 4.6445 4.8729 4.8729 5.3001 5.3001 5.5745 5.5745 5.6386 5.6386 5.9788 5.9788 6.0319 6.0319 6.5067 6.5067 6.6066 6.6066 7.6337 7.6337 7.8260 7.8260 8.4957 8.4957 9.5302 9.5302 9.5838 9.5838 k = 0.0000 0.7885 0.2034 ( 4082 PWs) bands (ev): 4.3285 4.3285 4.5557 4.5557 4.5960 4.5960 4.6370 4.6370 4.8754 4.8754 5.3140 5.3140 5.5773 5.5773 5.6201 5.6201 5.9796 5.9796 6.0361 6.0361 6.5334 6.5334 6.6000 6.6000 7.6601 7.6601 7.8588 7.8588 8.4494 8.4494 9.5403 9.5403 9.6013 9.6013 k = 0.0000 0.7885 0.2218 ( 4082 PWs) bands (ev): 4.3041 4.3041 4.5488 4.5488 4.5962 4.5962 4.6348 4.6348 4.8774 4.8774 5.3250 5.3250 5.5662 5.5662 5.6174 5.6174 5.9790 5.9790 6.0390 6.0390 6.5473 6.5473 6.6037 6.6037 7.6963 7.6963 7.8946 7.8946 8.4056 8.4056 9.5376 9.5376 9.6220 9.6220 k = 0.0000 0.7885 0.2403 ( 4086 PWs) bands (ev): 4.2805 4.2805 4.5395 4.5395 4.5922 4.5922 4.6400 4.6400 4.8788 4.8788 5.3334 5.3334 5.5465 5.5465 5.6250 5.6250 5.9773 5.9773 6.0406 6.0406 6.5373 6.5373 6.6289 6.6289 7.7413 7.7413 7.9331 7.9331 8.3660 8.3660 9.5316 9.5316 9.6348 9.6348 k = 0.0000 0.7885 0.2588 ( 4084 PWs) bands (ev): 4.2579 4.2579 4.5293 4.5293 4.5841 4.5841 4.6507 4.6507 4.8795 4.8795 5.3395 5.3395 5.5259 5.5259 5.6347 5.6347 5.9747 5.9747 6.0412 6.0412 6.5165 6.5165 6.6626 6.6626 7.7941 7.7941 7.9734 7.9734 8.3323 8.3323 9.5249 9.5249 9.6366 9.6366 k = 0.0000 0.7885 0.2773 ( 4086 PWs) bands (ev): 4.2366 4.2366 4.5191 4.5191 4.5737 4.5737 4.6642 4.6642 4.8795 4.8795 5.3436 5.3436 5.5067 5.5067 5.6439 5.6439 5.9715 5.9715 6.0411 6.0411 6.4922 6.4922 6.6972 6.6972 7.8535 7.8535 8.0146 8.0146 8.3068 8.3068 9.5184 9.5184 9.6270 9.6270 k = 0.0000 0.7885 0.2958 ( 4080 PWs) bands (ev): 4.2168 4.2168 4.5095 4.5095 4.5617 4.5617 4.6790 4.6790 4.8790 4.8790 5.3458 5.3458 5.4895 5.4895 5.6515 5.6515 5.9678 5.9678 6.0405 6.0405 6.4669 6.4669 6.7301 6.7301 7.9180 7.9180 8.0549 8.0549 8.2926 8.2926 9.5122 9.5122 9.6075 9.6075 k = 0.0000 0.7885 0.3143 ( 4078 PWs) bands (ev): 4.1985 4.1985 4.5006 4.5006 4.5484 4.5484 4.6938 4.6938 4.8784 4.8784 5.3467 5.3467 5.4744 5.4744 5.6568 5.6568 5.9641 5.9641 6.0395 6.0395 6.4422 6.4422 6.7592 6.7592 7.9860 7.9860 8.0922 8.0922 8.2932 8.2932 9.5063 9.5063 9.5803 9.5803 k = 0.0000 0.7885 0.3328 ( 4080 PWs) bands (ev): 4.1820 4.1820 4.4925 4.4925 4.5338 4.5338 4.7078 4.7078 4.8785 4.8785 5.3466 5.3466 5.4612 5.4612 5.6596 5.6596 5.9605 5.9605 6.0385 6.0385 6.4189 6.4189 6.7833 6.7833 8.0541 8.0541 8.1270 8.1270 8.3115 8.3115 9.4991 9.4991 9.5494 9.5494 k = 0.0000 0.7885 0.3512 ( 4082 PWs) bands (ev): 4.1674 4.1674 4.4851 4.4851 4.5184 4.5184 4.7198 4.7198 4.8802 4.8802 5.3458 5.3458 5.4497 5.4497 5.6595 5.6595 5.9573 5.9573 6.0374 6.0374 6.3979 6.3979 6.8011 6.8011 8.1115 8.1115 8.1706 8.1706 8.3466 8.3466 9.4829 9.4829 9.5243 9.5243 k = 0.0000 0.7885 0.3697 ( 4084 PWs) bands (ev): 4.1546 4.1546 4.4773 4.4773 4.5034 4.5034 4.7284 4.7284 4.8849 4.8849 5.3450 5.3450 5.4393 5.4393 5.6564 5.6564 5.9548 5.9548 6.0363 6.0363 6.3796 6.3796 6.8120 6.8120 8.1485 8.1485 8.2358 8.2358 8.3941 8.3941 9.4496 9.4496 9.5150 9.5150 k = 0.0000 0.7885 0.3882 ( 4086 PWs) bands (ev): 4.1438 4.1438 4.4665 4.4665 4.4915 4.4915 4.7326 4.7326 4.8937 4.8937 5.3442 5.3442 5.4297 5.4297 5.6503 5.6503 5.9530 5.9530 6.0352 6.0352 6.3644 6.3644 6.8157 6.8157 8.1794 8.1794 8.3117 8.3117 8.4498 8.4498 9.4078 9.4078 9.5142 9.5142 k = 0.0000 0.7885 0.4067 ( 4082 PWs) bands (ev): 4.1351 4.1351 4.4503 4.4503 4.4853 4.4853 4.7320 4.7320 4.9070 4.9070 5.3439 5.3439 5.4205 5.4205 5.6415 5.6415 5.9521 5.9521 6.0342 6.0342 6.3529 6.3529 6.8123 6.8123 8.2128 8.2128 8.3906 8.3906 8.5106 8.5106 9.3633 9.3633 9.5170 9.5170 k = 0.0000 0.7885 0.4252 ( 4078 PWs) bands (ev): 4.1285 4.1285 4.4305 4.4305 4.4832 4.4832 4.7270 4.7270 4.9244 4.9244 5.3440 5.3440 5.4115 5.4115 5.6302 5.6302 5.9521 5.9521 6.0329 6.0329 6.3451 6.3451 6.8024 6.8024 8.2507 8.2507 8.4699 8.4699 8.5749 8.5749 9.3178 9.3178 9.5225 9.5225 k = 0.0000 0.7885 0.4437 ( 4076 PWs) bands (ev): 4.1240 4.1240 4.4089 4.4089 4.4837 4.4837 4.7185 4.7185 4.9451 4.9451 5.3444 5.3444 5.4026 5.4026 5.6166 5.6166 5.9529 5.9529 6.0314 6.0314 6.3413 6.3413 6.7868 6.7868 8.2932 8.2932 8.5481 8.5481 8.6412 8.6412 9.2722 9.2722 9.5306 9.5306 k = 0.0000 0.7885 0.4622 ( 4072 PWs) bands (ev): 4.1217 4.1217 4.3863 4.3863 4.4861 4.4861 4.7074 4.7074 4.9683 4.9683 5.3444 5.3444 5.3943 5.3943 5.6013 5.6013 5.9545 5.9545 6.0295 6.0295 6.3415 6.3415 6.7664 6.7664 8.3395 8.3395 8.6241 8.6241 8.7085 8.7085 9.2270 9.2270 9.5411 9.5411 k = 0.0000 0.7885 0.4807 ( 4074 PWs) bands (ev): 4.1215 4.1215 4.3632 4.3632 4.4902 4.4902 4.6945 4.6945 4.9932 4.9932 5.3428 5.3428 5.3878 5.3878 5.5846 5.5846 5.9567 5.9567 6.0270 6.0270 6.3458 6.3458 6.7422 6.7422 8.3886 8.3886 8.6966 8.6966 8.7755 8.7755 9.1828 9.1828 9.5544 9.5544 k = 0.0000 0.7885 0.4991 ( 4076 PWs) bands (ev): 4.1234 4.1234 4.3399 4.3399 4.4958 4.4958 4.6803 4.6803 5.0195 5.0195 5.3375 5.3375 5.3849 5.3849 5.5668 5.5668 5.9595 5.9595 6.0240 6.0240 6.3541 6.3541 6.7151 6.7151 8.4394 8.4394 8.7641 8.7641 8.8406 8.8406 9.1401 9.1401 9.5705 9.5705 k = 0.0000 0.7885 0.5176 ( 4072 PWs) bands (ev): 4.1275 4.1275 4.3167 4.3167 4.5030 4.5030 4.6651 4.6651 5.0466 5.0466 5.3275 5.3275 5.3864 5.3864 5.5486 5.5486 5.9629 5.9629 6.0204 6.0204 6.3661 6.3661 6.6858 6.6858 8.4910 8.4910 8.8244 8.8244 8.9022 8.9022 9.1005 9.1005 9.5902 9.5902 k = 0.0000 0.7885 0.5361 ( 4076 PWs) bands (ev): 4.1337 4.1337 4.2939 4.2939 4.5115 4.5115 4.6495 4.6495 5.0741 5.0741 5.3136 5.3136 5.3915 5.3915 5.5301 5.5301 5.9667 5.9667 6.0163 6.0163 6.3816 6.3816 6.6551 6.6551 8.5427 8.5427 8.8731 8.8731 8.9577 8.9577 9.0675 9.0675 9.6140 9.6140 k = 0.0000 0.7885 0.5546 ( 4076 PWs) bands (ev): 4.1420 4.1420 4.2718 4.2718 4.5214 4.5214 4.6336 4.6336 5.1019 5.1019 5.2968 5.2968 5.3991 5.3991 5.5118 5.5118 5.9710 5.9710 6.0118 6.0118 6.4003 6.4003 6.6237 6.6237 8.5938 8.5938 8.9001 8.9001 9.0040 9.0040 9.0512 9.0512 9.6429 9.6429 k = 0.0000 0.7885 0.5731 ( 4078 PWs) bands (ev): 4.1523 4.1523 4.2506 4.2506 4.5325 4.5325 4.6176 4.6176 5.1295 5.1295 5.2776 5.2776 5.4086 5.4086 5.4940 5.4940 5.9757 5.9757 6.0069 6.0069 6.4219 6.4219 6.5921 6.5921 8.6439 8.6439 8.8948 8.8948 9.0380 9.0380 9.0616 9.0616 9.6780 9.6780 k = 0.0000 0.7885 0.5916 ( 4072 PWs) bands (ev): 4.1645 4.1645 4.2305 4.2305 4.5447 4.5447 4.6019 4.6019 5.1568 5.1568 5.2564 5.2564 5.4197 5.4197 5.4770 5.4770 5.9806 5.9806 6.0017 6.0017 6.4460 6.4460 6.5607 6.5607 8.6926 8.6926 8.8662 8.8662 9.0640 9.0640 9.0817 9.0817 9.7199 9.7199 k = 0.0000 0.7885 0.6101 ( 4062 PWs) bands (ev): 4.1785 4.1785 4.2116 4.2116 4.5578 4.5578 4.5866 4.5866 5.1834 5.1834 5.2335 5.2335 5.4322 5.4322 5.4609 5.4609 5.9858 5.9858 5.9964 5.9964 6.4723 6.4723 6.5300 6.5300 8.7398 8.7398 8.8279 8.8279 9.0839 9.0839 9.0939 9.0939 9.7686 9.7686 k = 0.0000 0.7885 0.6285 ( 4060 PWs) bands (ev): 4.1943 4.1943 4.1943 4.1943 4.5719 4.5719 4.5719 4.5719 5.2091 5.2091 5.2091 5.2091 5.4460 5.4460 5.4460 5.4460 5.9911 5.9911 5.9911 5.9911 6.5004 6.5004 6.5004 6.5004 8.7851 8.7851 8.7851 8.7851 9.0945 9.0945 9.0945 9.0945 9.8235 9.8235 k = 0.0000 0.7885 0.6285 ( 4060 PWs) bands (ev): 4.1943 4.1943 4.1943 4.1943 4.5719 4.5719 4.5719 4.5719 5.2091 5.2091 5.2091 5.2091 5.4460 5.4460 5.4460 5.4460 5.9911 5.9911 5.9911 5.9911 6.5004 6.5004 6.5004 6.5004 8.7851 8.7851 8.7851 8.7851 9.0945 9.0945 9.0945 9.0945 9.8235 9.8235 k = 0.0176 0.7885 0.6285 ( 4072 PWs) bands (ev): 4.1921 4.1921 4.1950 4.1950 4.5668 4.5668 4.5783 4.5783 5.2026 5.2026 5.2151 5.2151 5.4352 5.4352 5.4590 5.4590 5.9898 5.9898 5.9915 5.9915 6.4985 6.4985 6.5033 6.5033 8.7796 8.7796 8.7802 8.7802 9.0904 9.0904 9.0994 9.0994 9.8197 9.8197 k = 0.0352 0.7885 0.6285 ( 4072 PWs) bands (ev): 4.1885 4.1885 4.1942 4.1942 4.5632 4.5632 4.5859 4.5859 5.1958 5.1958 5.2202 5.2202 5.4269 5.4269 5.4739 5.4739 5.9879 5.9879 5.9914 5.9914 6.4975 6.4975 6.5071 6.5071 8.7644 8.7644 8.7651 8.7651 9.0877 9.0877 9.1043 9.1043 9.8270 9.8270 k = 0.0529 0.7885 0.6285 ( 4068 PWs) bands (ev): 4.1839 4.1839 4.1919 4.1919 4.5612 4.5612 4.5944 4.5944 5.1891 5.1891 5.2241 5.2241 5.4214 5.4214 5.4903 5.4903 5.9851 5.9851 5.9906 5.9906 6.4974 6.4974 6.5118 6.5118 8.7408 8.7408 8.7410 8.7410 9.0869 9.0869 9.1085 9.1085 9.8446 9.8446 k = 0.0705 0.7885 0.6285 ( 4068 PWs) bands (ev): 4.1784 4.1784 4.1884 4.1884 4.5604 4.5604 4.6035 4.6035 5.1826 5.1826 5.2267 5.2267 5.4189 5.4189 5.5079 5.5079 5.9814 5.9814 5.9892 5.9892 6.4983 6.4983 6.5173 6.5173 8.7098 8.7098 8.7105 8.7105 9.0879 9.0879 9.1121 9.1121 9.8709 9.8709 k = 0.0881 0.7885 0.6285 ( 4066 PWs) bands (ev): 4.1724 4.1724 4.1838 4.1838 4.5608 4.5608 4.6128 4.6128 5.1765 5.1765 5.2278 5.2278 5.4191 5.4191 5.5264 5.5264 5.9770 5.9770 5.9874 5.9874 6.5001 6.5001 6.5237 6.5237 8.6736 8.6736 8.6752 8.6752 9.0904 9.0904 9.1152 9.1152 9.9038 9.9038 k = 0.1057 0.7885 0.6285 ( 4062 PWs) bands (ev): 4.1663 4.1663 4.1785 4.1785 4.5621 4.5621 4.6220 4.6220 5.1708 5.1708 5.2276 5.2276 5.4218 5.4218 5.5454 5.5454 5.9718 5.9718 5.9851 5.9851 6.5028 6.5028 6.5308 6.5308 8.6345 8.6345 8.6366 8.6366 9.0942 9.0942 9.1181 9.1181 9.9411 9.9411 k = 0.1234 0.7885 0.6285 ( 4064 PWs) bands (ev): 4.1602 4.1602 4.1729 4.1729 4.5639 4.5639 4.6308 4.6308 5.1657 5.1657 5.2263 5.2263 5.4264 5.4264 5.5645 5.5645 5.9657 5.9657 5.9825 5.9825 6.5064 6.5064 6.5386 6.5386 8.5941 8.5941 8.5964 8.5964 9.0990 9.0990 9.1211 9.1211 9.9810 9.9810 k = 0.1410 0.7885 0.6285 ( 4066 PWs) bands (ev): 4.1544 4.1544 4.1673 4.1673 4.5660 4.5660 4.6389 4.6389 5.1612 5.1612 5.2243 5.2243 5.4325 5.4325 5.5834 5.5834 5.9591 5.9591 5.9796 5.9796 6.5108 6.5108 6.5469 6.5469 8.5539 8.5539 8.5560 8.5560 9.1044 9.1044 9.1242 9.1242 10.0215 10.0215 k = 0.1586 0.7885 0.6285 ( 4064 PWs) bands (ev): 4.1492 4.1492 4.1620 4.1620 4.5682 4.5682 4.6462 4.6462 5.1574 5.1574 5.2219 5.2219 5.4393 5.4393 5.6016 5.6016 5.9518 5.9518 5.9764 5.9764 6.5159 6.5159 6.5558 6.5558 8.5152 8.5152 8.5166 8.5166 9.1104 9.1104 9.1277 9.1277 10.0610 10.0610 k = 0.1762 0.7885 0.6285 ( 4062 PWs) bands (ev): 4.1448 4.1448 4.1574 4.1574 4.5701 4.5701 4.6523 4.6523 5.1542 5.1542 5.2194 5.2194 5.4464 5.4464 5.6188 5.6188 5.9441 5.9441 5.9730 5.9730 6.5216 6.5216 6.5650 6.5650 8.4790 8.4790 8.4796 8.4796 9.1169 9.1169 9.1315 9.1315 10.0982 10.0982 k = 0.1939 0.7885 0.6285 ( 4066 PWs) bands (ev): 4.1414 4.1414 4.1536 4.1536 4.5716 4.5716 4.6573 4.6573 5.1516 5.1516 5.2170 5.2170 5.4531 5.4531 5.6344 5.6344 5.9362 5.9362 5.9694 5.9694 6.5278 6.5278 6.5743 6.5743 8.4457 8.4457 8.4462 8.4462 9.1237 9.1237 9.1357 9.1357 10.1318 10.1318 k = 0.2115 0.7885 0.6285 ( 4064 PWs) bands (ev): 4.1391 4.1391 4.1508 4.1508 4.5726 4.5726 4.6611 4.6611 5.1497 5.1497 5.2148 5.2148 5.4592 5.4592 5.6481 5.6481 5.9283 5.9283 5.9656 5.9656 6.5343 6.5343 6.5835 6.5835 8.4159 8.4159 8.4174 8.4174 9.1307 9.1307 9.1401 9.1401 10.1608 10.1608 k = 0.2291 0.7885 0.6285 ( 4060 PWs) bands (ev): 4.1379 4.1379 4.1493 4.1493 4.5729 4.5729 4.6635 4.6635 5.1484 5.1484 5.2130 5.2130 5.4642 5.4642 5.6594 5.6594 5.9208 5.9208 5.9615 5.9615 6.5410 6.5410 6.5923 6.5923 8.3910 8.3910 8.3933 8.3933 9.1378 9.1378 9.1449 9.1449 10.1842 10.1842 k = 0.2467 0.7885 0.6285 ( 4062 PWs) bands (ev): 4.1381 4.1381 4.1492 4.1492 4.5725 4.5725 4.6646 4.6646 5.1476 5.1476 5.2116 5.2116 5.4680 5.4680 5.6678 5.6678 5.9138 5.9138 5.9572 5.9572 6.5475 6.5475 6.6005 6.6005 8.3714 8.3714 8.3743 8.3743 9.1450 9.1450 9.1498 9.1498 10.2014 10.2014 k = 0.2643 0.7885 0.6285 ( 4064 PWs) bands (ev): 4.1396 4.1396 4.1505 4.1505 4.5714 4.5714 4.6645 4.6645 5.1475 5.1475 5.2107 5.2107 5.4705 5.4705 5.6730 5.6730 5.9077 5.9077 5.9526 5.9526 6.5536 6.5536 6.6078 6.6078 8.3577 8.3577 8.3608 8.3608 9.1522 9.1522 9.1547 9.1547 10.2118 10.2118 k = 0.2820 0.7885 0.6285 ( 4082 PWs) bands (ev): 4.1424 4.1424 4.1533 4.1533 4.5695 4.5695 4.6630 4.6630 5.1478 5.1478 5.2102 5.2102 5.4716 5.4716 5.6748 5.6748 5.9027 5.9027 5.9477 5.9477 6.5593 6.5593 6.6139 6.6139 8.3501 8.3501 8.3529 8.3529 9.1593 9.1593 9.1597 9.1597 10.2151 10.2151 k = 0.2820 0.7885 0.6285 ( 4082 PWs) bands (ev): 4.1424 4.1424 4.1533 4.1533 4.5695 4.5695 4.6630 4.6630 5.1478 5.1478 5.2102 5.2102 5.4716 5.4716 5.6748 5.6748 5.9027 5.9027 5.9477 5.9477 6.5593 6.5593 6.6139 6.6139 8.3501 8.3501 8.3529 8.3529 9.1593 9.1593 9.1597 9.1597 10.2151 10.2151 k = 0.2757 0.7710 0.6285 ( 4062 PWs) bands (ev): 4.1321 4.1321 4.1428 4.1428 4.5769 4.5769 4.6696 4.6696 5.1463 5.1463 5.2111 5.2111 5.4701 5.4701 5.6740 5.6740 5.9158 5.9158 5.9631 5.9631 6.5427 6.5427 6.5967 6.5967 8.3607 8.3607 8.3654 8.3654 9.1400 9.1400 9.1463 9.1463 10.2165 10.2165 k = 0.2694 0.7535 0.6285 ( 4062 PWs) bands (ev): 4.1233 4.1233 4.1336 4.1336 4.5850 4.5850 4.6766 4.6766 5.1457 5.1457 5.2123 5.2123 5.4684 5.4684 5.6722 5.6722 5.9273 5.9273 5.9769 5.9769 6.5259 6.5259 6.5792 6.5792 8.3653 8.3653 8.3720 8.3720 9.1257 9.1257 9.1367 9.1367 10.2183 10.2183 k = 0.2632 0.7359 0.6285 ( 4058 PWs) bands (ev): 4.1160 4.1160 4.1258 4.1258 4.5936 4.5936 4.6840 4.6840 5.1460 5.1460 5.2138 5.2138 5.4668 5.4668 5.6697 5.6697 5.9367 5.9367 5.9888 5.9888 6.5088 6.5088 6.5614 6.5614 8.3652 8.3652 8.3737 8.3737 9.1161 9.1161 9.1305 9.1305 10.2196 10.2196 k = 0.2569 0.7184 0.6285 ( 4054 PWs) bands (ev): 4.1102 4.1102 4.1195 4.1195 4.6027 4.6027 4.6917 4.6917 5.1472 5.1472 5.2158 5.2158 5.4652 5.4652 5.6667 5.6667 5.9438 5.9438 5.9986 5.9986 6.4916 6.4916 6.5431 6.5431 8.3617 8.3617 8.3715 8.3715 9.1107 9.1107 9.1270 9.1270 10.2195 10.2195 k = 0.2506 0.7009 0.6285 ( 4058 PWs) bands (ev): 4.1059 4.1059 4.1147 4.1147 4.6122 4.6122 4.6997 4.6997 5.1494 5.1494 5.2182 5.2182 5.4639 5.4639 5.6633 5.6633 5.9482 5.9482 6.0060 6.0060 6.4742 6.4742 6.5245 6.5245 8.3560 8.3560 8.3667 8.3667 9.1089 9.1089 9.1259 9.1259 10.2170 10.2170 k = 0.2444 0.6834 0.6285 ( 4058 PWs) bands (ev): 4.1033 4.1033 4.1115 4.1115 4.6221 4.6221 4.7079 4.7079 5.1524 5.1524 5.2208 5.2208 5.4629 5.4629 5.6597 5.6597 5.9497 5.9497 6.0108 6.0108 6.4567 6.4567 6.5057 6.5057 8.3491 8.3491 8.3602 8.3602 9.1104 9.1104 9.1268 9.1268 10.2109 10.2109 k = 0.2381 0.6659 0.6285 ( 4054 PWs) bands (ev): 4.1023 4.1023 4.1098 4.1098 4.6321 4.6321 4.7163 4.7163 5.1563 5.1563 5.2237 5.2237 5.4623 5.4623 5.6558 5.6558 5.9482 5.9482 6.0128 6.0128 6.4394 6.4394 6.4868 6.4868 8.3420 8.3420 8.3530 8.3530 9.1145 9.1145 9.1293 9.1293 10.2003 10.2003 k = 0.2318 0.6483 0.6285 ( 4062 PWs) bands (ev): 4.1029 4.1029 4.1097 4.1097 4.6424 4.6424 4.7247 4.7247 5.1608 5.1608 5.2266 5.2266 5.4622 5.4622 5.6518 5.6518 5.9436 5.9436 6.0119 6.0119 6.4224 6.4224 6.4680 6.4680 8.3353 8.3353 8.3460 8.3460 9.1210 9.1210 9.1335 9.1335 10.1844 10.1844 k = 0.2256 0.6308 0.6285 ( 4070 PWs) bands (ev): 4.1051 4.1051 4.1111 4.1111 4.6528 4.6528 4.7332 4.7332 5.1658 5.1658 5.2293 5.2293 5.4626 5.4626 5.6477 5.6477 5.9357 5.9357 6.0079 6.0079 6.4060 6.4060 6.4496 6.4496 8.3296 8.3296 8.3397 8.3397 9.1294 9.1294 9.1390 9.1390 10.1624 10.1624 k = 0.2193 0.6133 0.6285 ( 4070 PWs) bands (ev): 4.1089 4.1089 4.1142 4.1142 4.6633 4.6633 4.7417 4.7417 5.1713 5.1713 5.2316 5.2316 5.4637 5.4637 5.6434 5.6434 5.9247 5.9247 6.0008 6.0008 6.3904 6.3904 6.4320 6.4320 8.3254 8.3254 8.3347 8.3347 9.1395 9.1395 9.1459 9.1459 10.1339 10.1339 k = 0.2130 0.5958 0.6285 ( 4074 PWs) bands (ev): 4.1142 4.1142 4.1187 4.1187 4.6738 4.6738 4.7501 4.7501 5.1769 5.1769 5.2332 5.2332 5.4653 5.4653 5.6390 5.6390 5.9105 5.9105 5.9905 5.9905 6.3760 6.3760 6.4154 6.4154 8.3231 8.3231 8.3314 8.3314 9.1510 9.1510 9.1539 9.1539 10.0986 10.0986 k = 0.2068 0.5782 0.6285 ( 4070 PWs) bands (ev): 4.1210 4.1210 4.1247 4.1247 4.6843 4.6843 4.7585 4.7585 5.1825 5.1825 5.2341 5.2341 5.4673 5.4673 5.6342 5.6342 5.8935 5.8935 5.9773 5.9773 6.3630 6.3630 6.4001 6.4001 8.3227 8.3227 8.3302 8.3302 9.1630 9.1630 9.1636 9.1636 10.0565 10.0565 k = 0.2005 0.5607 0.6285 ( 4070 PWs) bands (ev): 4.1292 4.1292 4.1321 4.1321 4.6948 4.6948 4.7669 4.7669 5.1878 5.1878 5.2339 5.2339 5.4697 5.4697 5.6290 5.6290 5.8740 5.8740 5.9614 5.9614 6.3516 6.3516 6.3865 6.3865 8.3247 8.3247 8.3312 8.3312 9.1729 9.1729 9.1769 9.1769 10.0079 10.0079 k = 0.1942 0.5432 0.6285 ( 4084 PWs) bands (ev): 4.1388 4.1388 4.1408 4.1408 4.7052 4.7052 4.7752 4.7752 5.1925 5.1925 5.2325 5.2325 5.4721 5.4721 5.6229 5.6229 5.8527 5.8527 5.9431 5.9431 6.3419 6.3419 6.3747 6.3747 8.3290 8.3290 8.3347 8.3347 9.1832 9.1832 9.1906 9.1906 9.9534 9.9534 k = 0.1880 0.5257 0.6285 ( 4094 PWs) bands (ev): 4.1496 4.1496 4.1508 4.1508 4.7155 4.7155 4.7834 4.7834 5.1965 5.1965 5.2298 5.2298 5.4742 5.4742 5.6155 5.6155 5.8305 5.8305 5.9229 5.9229 6.3340 6.3340 6.3648 6.3648 8.3358 8.3358 8.3408 8.3408 9.1936 9.1936 9.2042 9.2042 9.8939 9.8939 k = 0.1817 0.5082 0.6285 ( 4106 PWs) bands (ev): 4.1617 4.1617 4.1620 4.1620 4.7256 4.7256 4.7915 4.7915 5.1995 5.1995 5.2256 5.2256 5.4757 5.4757 5.6061 5.6061 5.8084 5.8084 5.9015 5.9015 6.3279 6.3279 6.3568 6.3568 8.3452 8.3452 8.3495 8.3495 9.2034 9.2034 9.2171 9.2171 9.8305 9.8305 k = 0.1754 0.4906 0.6285 ( 4106 PWs) bands (ev): 4.1743 4.1743 4.1748 4.1748 4.7357 4.7357 4.7994 4.7994 5.2014 5.2014 5.2200 5.2200 5.4761 5.4761 5.5938 5.5938 5.7879 5.7879 5.8796 5.8796 6.3235 6.3235 6.3508 6.3508 8.3571 8.3571 8.3610 8.3610 9.2119 9.2119 9.2287 9.2287 9.7649 9.7649 k = 0.1692 0.4731 0.6285 ( 4102 PWs) bands (ev): 4.1876 4.1876 4.1889 4.1889 4.7455 4.7455 4.8072 4.8072 5.2019 5.2019 5.2129 5.2129 5.4748 5.4748 5.5776 5.5776 5.7703 5.7703 5.8580 5.8580 6.3209 6.3209 6.3466 6.3466 8.3718 8.3718 8.3752 8.3752 9.2177 9.2177 9.2379 9.2379 9.6991 9.6991 k = 0.1629 0.4556 0.6285 ( 4104 PWs) bands (ev): 4.2017 4.2017 4.2039 4.2039 4.7551 4.7551 4.8148 4.8148 5.2010 5.2010 5.2043 5.2043 5.4714 5.4714 5.5568 5.5568 5.7567 5.7567 5.8376 5.8376 6.3197 6.3197 6.3441 6.3441 8.3891 8.3891 8.3922 8.3922 9.2189 9.2189 9.2431 9.2431 9.6358 9.6358 k = 0.1566 0.4381 0.6285 ( 4106 PWs) bands (ev): 4.2165 4.2165 4.2196 4.2196 4.7643 4.7643 4.8222 4.8222 5.1941 5.1941 5.1986 5.1986 5.4653 5.4653 5.5316 5.5316 5.7474 5.7474 5.8191 5.8191 6.3200 6.3200 6.3432 6.3432 8.4090 8.4090 8.4119 8.4119 9.2126 9.2126 9.2423 9.2423 9.5786 9.5786 k = 0.1504 0.4205 0.6285 ( 4110 PWs) bands (ev): 4.2319 4.2319 4.2358 4.2358 4.7731 4.7731 4.8292 4.8292 5.1824 5.1824 5.1948 5.1948 5.4564 5.4564 5.5025 5.5025 5.7421 5.7421 5.8032 5.8032 6.3215 6.3215 6.3437 6.3437 8.4316 8.4316 8.4344 8.4344 9.1953 9.1953 9.2324 9.2324 9.5320 9.5320 k = 0.1441 0.4030 0.6285 ( 4116 PWs) bands (ev): 4.2477 4.2477 4.2525 4.2525 4.7815 4.7815 4.8358 4.8358 5.1692 5.1692 5.1897 5.1897 5.4446 5.4446 5.4707 5.4707 5.7401 5.7401 5.7902 5.7902 6.3241 6.3241 6.3453 6.3453 8.4566 8.4566 8.4594 8.4594 9.1644 9.1644 9.2103 9.2103 9.4991 9.4991 k = 0.1379 0.3855 0.6285 ( 4116 PWs) bands (ev): 4.2638 4.2638 4.2695 4.2695 4.7893 4.7893 4.8420 4.8420 5.1547 5.1547 5.1833 5.1833 5.4300 5.4300 5.4370 5.4370 5.7406 5.7406 5.7803 5.7803 6.3275 6.3275 6.3479 6.3479 8.4841 8.4841 8.4870 8.4870 9.1206 9.1206 9.1746 9.1746 9.4802 9.4802 k = 0.1316 0.3680 0.6285 ( 4116 PWs) bands (ev): 4.2800 4.2800 4.2866 4.2866 4.7965 4.7965 4.8475 4.8475 5.1390 5.1390 5.1759 5.1759 5.4024 5.4024 5.4131 5.4131 5.7431 5.7431 5.7733 5.7733 6.3316 6.3316 6.3512 6.3512 8.5138 8.5138 8.5169 8.5169 9.0676 9.0676 9.1271 9.1271 9.4720 9.4720 k = 0.1253 0.3504 0.6285 ( 4120 PWs) bands (ev): 4.2961 4.2961 4.3036 4.3036 4.8029 4.8029 4.8524 4.8524 5.1222 5.1222 5.1676 5.1676 5.3676 5.3676 5.3946 5.3946 5.7470 5.7470 5.7689 5.7689 6.3362 6.3362 6.3549 6.3549 8.5455 8.5455 8.5490 8.5490 9.0099 9.0099 9.0717 9.0717 9.4709 9.4709 k = 0.1191 0.3329 0.6285 ( 4116 PWs) bands (ev): 4.3120 4.3120 4.3203 4.3203 4.8084 4.8084 4.8564 4.8564 5.1046 5.1046 5.1584 5.1584 5.3335 5.3335 5.3750 5.3750 5.7519 5.7519 5.7669 5.7669 6.3410 6.3410 6.3590 6.3590 8.5788 8.5788 8.5830 8.5830 8.9511 8.9511 9.0124 9.0124 9.4740 9.4740 k = 0.1128 0.3154 0.6285 ( 4116 PWs) bands (ev): 4.3275 4.3275 4.3367 4.3367 4.8130 4.8130 4.8594 4.8594 5.0865 5.0865 5.1484 5.1484 5.3006 5.3006 5.3551 5.3551 5.7576 5.7576 5.7667 5.7667 6.3459 6.3459 6.3630 6.3630 8.6127 8.6127 8.6186 8.6186 8.8942 8.8942 8.9524 8.9524 9.4792 9.4792 k = 0.1065 0.2979 0.6285 ( 4112 PWs) bands (ev): 4.3424 4.3424 4.3524 4.3524 4.8165 4.8165 4.8612 4.8612 5.0681 5.0681 5.1373 5.1373 5.2700 5.2700 5.3354 5.3354 5.7638 5.7638 5.7680 5.7680 6.3507 6.3507 6.3669 6.3669 8.6452 8.6452 8.6549 8.6549 8.8425 8.8425 8.8945 8.8945 9.4853 9.4853 k = 0.1003 0.2804 0.6285 ( 4116 PWs) bands (ev): 4.3566 4.3566 4.3675 4.3675 4.8191 4.8191 4.8617 4.8617 5.0499 5.0499 5.1245 5.1245 5.2426 5.2426 5.3163 5.3163 5.7703 5.7703 5.7705 5.7705 6.3552 6.3552 6.3704 6.3704 8.6702 8.6702 8.6900 8.6900 8.8031 8.8031 8.8416 8.8416 9.4917 9.4917 k = 0.0940 0.2628 0.6285 ( 4116 PWs) bands (ev): 4.3699 4.3699 4.3815 4.3815 4.8207 4.8207 4.8606 4.8606 5.0322 5.0322 5.1096 5.1096 5.2195 5.2195 5.2984 5.2984 5.7739 5.7739 5.7769 5.7769 6.3592 6.3592 6.3734 6.3734 8.6717 8.6717 8.7148 8.7148 8.7922 8.7922 8.8034 8.8034 9.4977 9.4977 k = 0.0877 0.2453 0.6285 ( 4116 PWs) bands (ev): 4.3821 4.3821 4.3945 4.3945 4.8213 4.8213 4.8579 4.8579 5.0155 5.0155 5.0919 5.0919 5.2015 5.2015 5.2819 5.2819 5.7780 5.7780 5.7835 5.7835 6.3627 6.3627 6.3758 6.3758 8.6461 8.6461 8.7030 8.7030 8.8066 8.8066 8.8135 8.8135 9.5030 9.5030 k = 0.0815 0.2278 0.6285 ( 4124 PWs) bands (ev): 4.3931 4.3931 4.4063 4.4063 4.8212 4.8212 4.8535 4.8535 5.0000 5.0000 5.0718 5.0718 5.1887 5.1887 5.2669 5.2669 5.7826 5.7826 5.7901 5.7901 6.3656 6.3656 6.3775 6.3775 8.6116 8.6116 8.6665 8.6665 8.8393 8.8393 8.8487 8.8487 9.5073 9.5073 k = 0.0752 0.2103 0.6285 ( 4126 PWs) bands (ev): 4.4029 4.4029 4.4167 4.4167 4.8205 4.8205 4.8475 4.8475 4.9860 4.9860 5.0502 5.0502 5.1801 5.1801 5.2535 5.2535 5.7876 5.7876 5.7964 5.7964 6.3677 6.3677 6.3785 6.3785 8.5773 8.5773 8.6277 8.6277 8.8788 8.8788 8.8886 8.8886 9.5105 9.5105 k = 0.0689 0.1927 0.6285 ( 4130 PWs) bands (ev): 4.4113 4.4113 4.4257 4.4257 4.8193 4.8193 4.8404 4.8404 4.9735 4.9735 5.0282 5.0282 5.1749 5.1749 5.2420 5.2420 5.7928 5.7928 5.8025 5.8025 6.3692 6.3692 6.3788 6.3788 8.5456 8.5456 8.5914 8.5914 8.9202 8.9202 8.9302 8.9302 9.5123 9.5123 k = 0.0627 0.1752 0.6285 ( 4122 PWs) bands (ev): 4.4184 4.4184 4.4332 4.4332 4.8178 4.8178 4.8324 4.8324 4.9625 4.9625 5.0067 5.0067 5.1721 5.1721 5.2320 5.2320 5.7981 5.7981 5.8082 5.8082 6.3700 6.3700 6.3785 6.3785 8.5175 8.5175 8.5587 8.5587 8.9618 8.9618 8.9722 8.9722 9.5127 9.5127 k = 0.0564 0.1577 0.6285 ( 4124 PWs) bands (ev): 4.4243 4.4243 4.4392 4.4392 4.8161 4.8161 4.8242 4.8242 4.9528 4.9528 4.9865 4.9865 5.1710 5.1710 5.2236 5.2236 5.8034 5.8034 5.8135 5.8135 6.3703 6.3703 6.3775 6.3775 8.4931 8.4931 8.5298 8.5298 9.0029 9.0029 9.0137 9.0137 9.5117 9.5117 k = 0.0501 0.1402 0.6285 ( 4124 PWs) bands (ev): 4.4290 4.4290 4.4436 4.4436 4.8142 4.8142 4.8161 4.8161 4.9442 4.9442 4.9681 4.9681 5.1712 5.1712 5.2167 5.2167 5.8085 5.8085 5.8184 5.8184 6.3700 6.3700 6.3762 6.3762 8.4723 8.4723 8.5046 8.5046 9.0430 9.0430 9.0542 9.0542 9.5092 9.5092 k = 0.0439 0.1227 0.6285 ( 4120 PWs) bands (ev): 4.4327 4.4327 4.4467 4.4467 4.8088 4.8088 4.8121 4.8121 4.9366 4.9366 4.9518 4.9518 5.1723 5.1723 5.2109 5.2109 5.8135 5.8135 5.8227 5.8227 6.3693 6.3693 6.3745 6.3745 8.4550 8.4550 8.4830 8.4830 9.0815 9.0815 9.0930 9.0930 9.5053 9.5053 k = 0.0376 0.1051 0.6285 ( 4124 PWs) bands (ev): 4.4355 4.4355 4.4486 4.4486 4.8024 4.8024 4.8098 4.8098 4.9298 4.9298 4.9380 4.9380 5.1739 5.1739 5.2061 5.2061 5.8180 5.8180 5.8264 5.8264 6.3684 6.3684 6.3727 6.3727 8.4409 8.4409 8.4647 8.4647 9.1179 9.1179 9.1296 9.1296 9.5001 9.5001 k = 0.0313 0.0876 0.6285 ( 4132 PWs) bands (ev): 4.4377 4.4377 4.4494 4.4494 4.7973 4.7973 4.8070 4.8070 4.9239 4.9239 4.9268 4.9268 5.1760 5.1760 5.2021 5.2021 5.8222 5.8222 5.8295 5.8295 6.3674 6.3674 6.3708 6.3708 8.4298 8.4298 8.4495 8.4495 9.1517 9.1517 9.1632 9.1632 9.4940 9.4940 k = 0.0251 0.0701 0.6285 ( 4132 PWs) bands (ev): 4.4395 4.4395 4.4494 4.4494 4.7936 4.7936 4.8040 4.8040 4.9182 4.9182 4.9187 4.9187 5.1783 5.1783 5.1987 5.1987 5.8259 5.8259 5.8319 5.8319 6.3664 6.3664 6.3689 6.3689 8.4215 8.4215 8.4372 8.4372 9.1820 9.1820 9.1929 9.1929 9.4873 9.4873 k = 0.0188 0.0526 0.6285 ( 4136 PWs) bands (ev): 4.4410 4.4410 4.4487 4.4487 4.7912 4.7912 4.8007 4.8007 4.9122 4.9122 4.9143 4.9143 5.1807 5.1807 5.1957 5.1957 5.8290 5.8290 5.8337 5.8337 6.3655 6.3655 6.3673 6.3673 8.4157 8.4157 8.4274 8.4274 9.2082 9.2082 9.2178 9.2178 9.4810 9.4810 k = 0.0125 0.0350 0.6285 ( 4120 PWs) bands (ev): 4.4424 4.4424 4.4477 4.4477 4.7903 4.7903 4.7975 4.7975 4.9086 4.9086 4.9108 4.9108 5.1832 5.1832 5.1931 5.1931 5.8316 5.8316 5.8347 5.8347 6.3648 6.3648 6.3660 6.3660 8.4123 8.4123 8.4200 8.4200 9.2291 9.2291 9.2364 9.2364 9.4761 9.4761 k = 0.0063 0.0175 0.6285 ( 4120 PWs) bands (ev): 4.4437 4.4437 4.4464 4.4464 4.7907 4.7907 4.7945 4.7945 4.9069 4.9069 4.9083 4.9083 5.1857 5.1857 5.1905 5.1905 5.8334 5.8334 5.8350 5.8350 6.3645 6.3645 6.3651 6.3651 8.4110 8.4110 8.4149 8.4149 9.2434 9.2434 9.2474 9.2474 9.4737 9.4737 k = 0.0000 0.0000 0.6285 ( 4120 PWs) bands (ev): 4.4451 4.4451 4.4451 4.4451 4.7921 4.7921 4.7921 4.7921 4.9069 4.9069 4.9069 4.9069 5.1881 5.1881 5.1881 5.1881 5.8346 5.8346 5.8346 5.8346 6.3646 6.3646 6.3646 6.3646 8.4119 8.4119 8.4119 8.4119 9.2498 9.2498 9.2498 9.2498 9.4748 9.4748 k = 0.0000 0.0000 0.6285 ( 4120 PWs) bands (ev): 4.4451 4.4451 4.4451 4.4451 4.7921 4.7921 4.7921 4.7921 4.9069 4.9069 4.9069 4.9069 5.1881 5.1881 5.1881 5.1881 5.8346 5.8346 5.8346 5.8346 6.3646 6.3646 6.3646 6.3646 8.4119 8.4119 8.4119 8.4119 9.2498 9.2498 9.2498 9.2498 9.4748 9.4748 k = 0.0000 0.0000 0.6101 ( 4124 PWs) bands (ev): 4.4095 4.4095 4.4804 4.4804 4.7744 4.7744 4.8023 4.8023 4.8922 4.8922 4.9215 4.9215 5.1857 5.1857 5.1903 5.1903 5.8087 5.8087 5.8593 5.8593 6.2924 6.2924 6.4441 6.4441 8.3351 8.3351 8.4872 8.4872 9.2103 9.2103 9.2940 9.2940 9.4423 9.4423 k = 0.0000 0.0000 0.5916 ( 4118 PWs) bands (ev): 4.3744 4.3744 4.5143 4.5143 4.7480 4.7480 4.8068 4.8068 4.8785 4.8785 4.9349 4.9349 5.1829 5.1829 5.1924 5.1924 5.7824 5.7824 5.8822 5.8822 6.2282 6.2282 6.5299 6.5299 8.2571 8.2571 8.5607 8.5607 9.1762 9.1762 9.3425 9.3425 9.4100 9.4100 k = 0.0000 0.0000 0.5731 ( 4126 PWs) bands (ev): 4.3401 4.3401 4.5449 4.5449 4.7134 4.7134 4.8073 4.8073 4.8663 4.8663 4.9462 4.9462 5.1796 5.1796 5.1944 5.1944 5.7563 5.7563 5.9027 5.9027 6.1725 6.1725 6.6209 6.6209 8.1784 8.1784 8.6323 8.6323 9.1480 9.1480 9.3770 9.3770 9.3958 9.3958 k = 0.0000 0.0000 0.5546 ( 4136 PWs) bands (ev): 4.3070 4.3070 4.5676 4.5676 4.6742 4.6742 4.8051 4.8051 4.8563 4.8563 4.9554 4.9554 5.1754 5.1754 5.1963 5.1963 5.7312 5.7312 5.9201 5.9201 6.1255 6.1255 6.7157 6.7157 8.0999 8.0999 8.7019 8.7019 9.1261 9.1261 9.3470 9.3470 9.4504 9.4504 k = 0.0000 0.0000 0.5361 ( 4140 PWs) bands (ev): 4.2753 4.2753 4.5683 4.5683 4.6431 4.6431 4.8000 4.8000 4.8506 4.8506 4.9630 4.9630 5.1702 5.1702 5.1981 5.1981 5.7078 5.7078 5.9336 5.9336 6.0872 6.0872 6.8127 6.8127 8.0225 8.0225 8.7695 8.7695 9.1109 9.1109 9.3178 9.3178 9.5080 9.5080 k = 0.0000 0.0000 0.5176 ( 4130 PWs) bands (ev): 4.2452 4.2452 4.5300 4.5300 4.6357 4.6357 4.7909 4.7909 4.8518 4.8518 4.9696 4.9696 5.1640 5.1640 5.1995 5.1995 5.6867 5.6867 5.9424 5.9424 6.0576 6.0576 6.9098 6.9098 7.9479 7.9479 8.8350 8.8350 9.1027 9.1027 9.2905 9.2905 9.5672 9.5672 k = 0.0000 0.0000 0.4991 ( 4122 PWs) bands (ev): 4.2166 4.2166 4.4714 4.4714 4.6336 4.6336 4.7773 4.7773 4.8603 4.8603 4.9765 4.9765 5.1568 5.1568 5.2008 5.2008 5.6685 5.6685 5.9459 5.9459 6.0365 6.0365 7.0042 7.0042 7.8786 7.8786 8.8986 8.8986 9.1020 9.1020 9.2654 9.2654 9.6262 9.6262 k = 0.0000 0.0000 0.4807 ( 4118 PWs) bands (ev): 4.1897 4.1897 4.4050 4.4050 4.6261 4.6261 4.7602 4.7602 4.8721 4.8721 4.9852 4.9852 5.1495 5.1495 5.2018 5.2018 5.6534 5.6534 5.9443 5.9443 6.0227 6.0227 7.0912 7.0912 7.8189 7.8189 8.9601 8.9601 9.1087 9.1087 9.2428 9.2428 9.6775 9.6775 k = 0.0000 0.0000 0.4622 ( 4112 PWs) bands (ev): 4.1642 4.1642 4.3348 4.3348 4.6126 4.6126 4.7408 4.7408 4.8824 4.8824 4.9961 4.9961 5.1434 5.1434 5.2032 5.2032 5.6415 5.6415 5.9391 5.9391 6.0138 6.0138 7.1635 7.1635 7.7758 7.7758 9.0193 9.0193 9.1231 9.1231 9.2232 9.2232 9.7077 9.7077 k = 0.0000 0.0000 0.4437 ( 4110 PWs) bands (ev): 4.1395 4.1395 4.2632 4.2632 4.5946 4.5946 4.7196 4.7196 4.8879 4.8879 5.0068 5.0068 5.1409 5.1409 5.2058 5.2058 5.6328 5.6328 5.9328 5.9328 6.0066 6.0066 7.2105 7.2105 7.7598 7.7598 9.0760 9.0760 9.1450 9.1450 9.2072 9.2072 9.7284 9.7284 k = 0.0000 0.0000 0.4252 ( 4106 PWs) bands (ev): 4.1132 4.1132 4.1937 4.1937 4.5731 4.5731 4.6972 4.6972 4.8882 4.8882 5.0127 5.0127 5.1435 5.1435 5.2121 5.2121 5.6270 5.6270 5.9266 5.9266 5.9994 5.9994 7.2238 7.2238 7.7791 7.7791 9.1286 9.1286 9.1718 9.1718 9.1988 9.1988 9.7461 9.7461 k = 0.0000 0.0000 0.4067 ( 4098 PWs) bands (ev): 4.0750 4.0750 4.1376 4.1376 4.5493 4.5493 4.6737 4.6737 4.8840 4.8840 5.0106 5.0106 5.1486 5.1486 5.2262 5.2262 5.6239 5.6239 5.9209 5.9209 5.9915 5.9915 7.2054 7.2054 7.8312 7.8312 9.1634 9.1634 9.1939 9.1939 9.2214 9.2214 9.7620 9.7620 k = 0.0000 0.0000 0.3882 ( 4104 PWs) bands (ev): 4.0144 4.0144 4.1064 4.1064 4.5238 4.5238 4.6496 4.6496 4.8762 4.8762 5.0018 5.0018 5.1513 5.1513 5.2507 5.2507 5.6231 5.6231 5.9152 5.9152 5.9832 5.9832 7.1660 7.1660 7.9052 7.9052 9.1631 9.1631 9.2381 9.2381 9.2650 9.2650 9.7766 9.7766 k = 0.0000 0.0000 0.3697 ( 4100 PWs) bands (ev): 3.9439 3.9439 4.0878 4.0878 4.4972 4.4972 4.6250 4.6250 4.8652 4.8652 4.9890 4.9890 5.1501 5.1501 5.2833 5.2833 5.6242 5.6242 5.9084 5.9084 5.9756 5.9756 7.1157 7.1157 7.9909 7.9909 9.1590 9.1590 9.2889 9.2889 9.3136 9.3136 9.7900 9.7900 k = 0.0000 0.0000 0.3512 ( 4098 PWs) bands (ev): 3.8719 3.8719 4.0743 4.0743 4.4700 4.4700 4.6002 4.6002 4.8515 4.8515 4.9739 4.9739 5.1464 5.1464 5.3206 5.3206 5.6268 5.6268 5.8991 5.8991 5.9702 5.9702 7.0606 7.0606 8.0816 8.0816 9.1567 9.1567 9.3420 9.3420 9.3653 9.3653 9.8024 9.8024 k = 0.0000 0.0000 0.3328 ( 4090 PWs) bands (ev): 3.8007 3.8007 4.0640 4.0640 4.4424 4.4424 4.5754 4.5754 4.8355 4.8355 4.9576 4.9576 5.1414 5.1414 5.3596 5.3596 5.6305 5.6305 5.8866 5.8866 5.9680 5.9680 7.0045 7.0045 8.1733 8.1733 9.1567 9.1567 9.3940 9.3940 9.4224 9.4224 9.8139 9.8139 k = 0.0000 0.0000 0.3143 ( 4094 PWs) bands (ev): 3.7313 3.7313 4.0563 4.0563 4.4150 4.4150 4.5509 4.5509 4.8176 4.8176 4.9403 4.9403 5.1360 5.1360 5.3985 5.3985 5.6348 5.6348 5.8714 5.8714 5.9692 5.9692 6.9493 6.9493 8.2635 8.2635 9.1592 9.1592 9.4420 9.4420 9.4870 9.4870 9.8246 9.8246 k = 0.0000 0.0000 0.2958 ( 4092 PWs) bands (ev): 3.6642 3.6642 4.0510 4.0510 4.3878 4.3878 4.5267 4.5267 4.7983 4.7983 4.9218 4.9218 5.1309 5.1309 5.4361 5.4361 5.6392 5.6392 5.8547 5.8547 5.9734 5.9734 6.8963 6.8963 8.3507 8.3507 9.1640 9.1640 9.4867 9.4867 9.5577 9.5577 9.8346 9.8346 k = 0.0000 0.0000 0.2773 ( 4086 PWs) bands (ev): 3.5998 3.5998 4.0478 4.0478 4.3613 4.3613 4.5032 4.5032 4.7782 4.7782 4.9020 4.9020 5.1268 5.1268 5.4712 5.4712 5.6426 5.6426 5.8383 5.8383 5.9799 5.9799 6.8462 6.8462 8.4338 8.4338 9.1706 9.1706 9.5287 9.5287 9.6332 9.6332 9.8438 9.8438 k = 0.0000 0.0000 0.2588 ( 4086 PWs) bands (ev): 3.5385 3.5385 4.0468 4.0468 4.3356 4.3356 4.4804 4.4804 4.7576 4.7576 4.8806 4.8806 5.1240 5.1240 5.5030 5.5030 5.6436 5.6436 5.8241 5.8241 5.9886 5.9886 6.7996 6.7996 8.5119 8.5119 9.1788 9.1788 9.5683 9.5683 9.7127 9.7127 9.8524 9.8524 k = 0.0000 0.0000 0.2403 ( 4086 PWs) bands (ev): 3.4805 3.4805 4.0477 4.0477 4.3111 4.3111 4.4585 4.4585 4.7369 4.7369 4.8577 4.8577 5.1227 5.1227 5.5310 5.5310 5.6406 5.6406 5.8143 5.8143 5.9991 5.9991 6.7566 6.7566 8.5847 8.5847 9.1880 9.1880 9.6055 9.6055 9.7955 9.7955 9.8603 9.8603 k = 0.0000 0.0000 0.2218 ( 4088 PWs) bands (ev): 3.4260 3.4260 4.0503 4.0503 4.2880 4.2880 4.4377 4.4377 4.7164 4.7164 4.8333 4.8333 5.1233 5.1233 5.5549 5.5549 5.6323 5.6323 5.8103 5.8103 6.0112 6.0112 6.7173 6.7173 8.6520 8.6520 9.1976 9.1976 9.6402 9.6402 9.8675 9.8675 9.8808 9.8808 k = 0.0000 0.0000 0.2034 ( 4092 PWs) bands (ev): 3.3753 3.3753 4.0546 4.0546 4.2666 4.2666 4.4182 4.4182 4.6962 4.6962 4.8079 4.8079 5.1256 5.1256 5.5748 5.5748 5.6184 5.6184 5.8119 5.8119 6.0249 6.0249 6.6819 6.6819 8.7138 8.7138 9.2068 9.2068 9.6724 9.6724 9.8741 9.8741 9.9679 9.9679 k = 0.0000 0.0000 0.1849 ( 4084 PWs) bands (ev): 3.3285 3.3285 4.0601 4.0601 4.2471 4.2471 4.3999 4.3999 4.6764 4.6764 4.7818 4.7818 5.1296 5.1296 5.5905 5.5905 5.6007 5.6007 5.8178 5.8178 6.0399 6.0399 6.6503 6.6503 8.7706 8.7706 9.2150 9.2150 9.7020 9.7020 9.8802 9.8802 10.0560 10.0560 k = 0.0000 0.0000 0.1664 ( 4076 PWs) bands (ev): 3.2857 3.2857 4.0664 4.0664 4.2301 4.2301 4.3832 4.3832 4.6569 4.6569 4.7559 4.7559 5.1352 5.1352 5.5777 5.5777 5.6054 5.6054 5.8261 5.8261 6.0558 6.0558 6.6223 6.6223 8.8226 8.8226 9.2214 9.2214 9.7289 9.7289 9.8857 9.8857 10.1443 10.1443 k = 0.0000 0.0000 0.1479 ( 4070 PWs) bands (ev): 3.2471 3.2471 4.0731 4.0731 4.2158 4.2158 4.3680 4.3680 4.6377 4.6377 4.7309 4.7309 5.1422 5.1422 5.5548 5.5548 5.6162 5.6162 5.8352 5.8352 6.0721 6.0721 6.5979 6.5979 8.8703 8.8703 9.2254 9.2254 9.7530 9.7530 9.8906 9.8906 10.2317 10.2317 k = 0.0000 0.0000 0.1294 ( 4070 PWs) bands (ev): 3.2128 3.2128 4.0793 4.0793 4.2049 4.2049 4.3545 4.3545 4.6183 4.6183 4.7077 4.7077 5.1504 5.1504 5.5313 5.5313 5.6251 5.6251 5.8440 5.8440 6.0882 6.0882 6.5769 6.5769 8.9143 8.9143 9.2265 9.2265 9.7743 9.7743 9.8950 9.8950 10.3168 10.3168 k = 0.0000 0.0000 0.1109 ( 4065 PWs) bands (ev): 3.1829 3.1829 4.0843 4.0843 4.1979 4.1979 4.3427 4.3427 4.5988 4.5988 4.6871 4.6871 5.1595 5.1595 5.5081 5.5081 5.6325 5.6325 5.8520 5.8520 6.1036 6.1036 6.5591 6.5591 8.9548 8.9548 9.2245 9.2245 9.7928 9.7928 9.8990 9.8990 10.3977 10.3977 k = 0.0000 0.0000 0.0924 ( 4069 PWs) bands (ev): 3.1575 3.1575 4.0874 4.0874 4.1950 4.1950 4.3329 4.3329 4.5794 4.5794 4.6698 4.6698 5.1691 5.1691 5.4860 5.4860 5.6383 5.6383 5.8590 5.8590 6.1176 6.1176 6.5444 6.5444 8.9924 8.9924 9.2190 9.2190 9.8082 9.8082 9.9024 9.9024 10.4648 10.4648 k = 0.0000 0.0000 0.0739 ( 4067 PWs) bands (ev): 3.1366 3.1366 4.0886 4.0886 4.1957 4.1957 4.3249 4.3249 4.5608 4.5608 4.6560 4.6560 5.1788 5.1788 5.4659 5.4659 5.6430 5.6430 5.8646 5.8646 6.1298 6.1298 6.5327 6.5327 9.0273 9.0273 9.2100 9.2100 9.8208 9.8208 9.9054 9.9054 10.4798 10.4798 k = 0.0000 0.0000 0.0555 ( 4065 PWs) bands (ev): 3.1203 3.1203 4.0884 4.0884 4.1987 4.1987 4.3189 4.3189 4.5441 4.5441 4.6456 4.6456 5.1877 5.1877 5.4487 5.4487 5.6465 5.6465 5.8690 5.8690 6.1397 6.1397 6.5237 6.5237 9.0595 9.0595 9.1975 9.1975 9.8304 9.8304 9.9079 9.9079 10.4851 10.4851 k = 0.0000 0.0000 0.0370 ( 4067 PWs) bands (ev): 3.1086 3.1086 4.0875 4.0875 4.2024 4.2024 4.3148 4.3148 4.5307 4.5307 4.6384 4.6384 5.1952 5.1952 5.4352 5.4352 5.6490 5.6490 5.8721 5.8721 6.1470 6.1470 6.5173 6.5173 9.0893 9.0893 9.1818 9.1818 9.8372 9.8372 9.9097 9.9097 10.4884 10.4884 k = 0.0000 0.0000 0.0185 ( 4071 PWs) bands (ev): 3.1016 3.1016 4.0867 4.0867 4.2053 4.2053 4.3125 4.3125 4.5219 4.5219 4.6342 4.6342 5.2002 5.2002 5.4266 5.4266 5.6504 5.6504 5.8740 5.8740 6.1515 6.1515 6.5136 6.5136 9.1165 9.1165 9.1630 9.1630 9.8413 9.8413 9.9109 9.9109 10.4903 10.4903 k = 0.0000 0.0000 0.0000 ( 4077 PWs) bands (ev): 3.0992 3.0992 4.0864 4.0864 4.2064 4.2064 4.3117 4.3117 4.5189 4.5189 4.6328 4.6328 5.2020 5.2020 5.4236 5.4236 5.6509 5.6509 5.8746 5.8746 6.1530 6.1530 6.5124 6.5124 9.1395 9.1395 9.1427 9.1427 9.8426 9.8426 9.9113 9.9113 10.4910 10.4910 k = 0.0000 0.0000 0.0000 ( 4077 PWs) bands (ev): 3.0992 3.0992 4.0864 4.0864 4.2064 4.2064 4.3117 4.3117 4.5189 4.5189 4.6328 4.6328 5.2020 5.2020 5.4236 5.4236 5.6509 5.6509 5.8746 5.8746 6.1530 6.1530 6.5124 6.5124 9.1395 9.1395 9.1427 9.1427 9.8426 9.8426 9.9113 9.9113 10.4910 10.4910 k =-0.0172 0.0062-0.0000 ( 4073 PWs) bands (ev): 3.1014 3.1014 4.0874 4.0874 4.2072 4.2072 4.3109 4.3109 4.5182 4.5182 4.6325 4.6325 5.2007 5.2007 5.4238 5.4238 5.6510 5.6510 5.8747 5.8747 6.1526 6.1526 6.5125 6.5125 9.1403 9.1403 9.1409 9.1409 9.8450 9.8450 9.9088 9.9088 10.4917 10.4917 k =-0.0345 0.0123-0.0000 ( 4079 PWs) bands (ev): 3.1079 3.1079 4.0902 4.0902 4.2096 4.2096 4.3083 4.3083 4.5161 4.5161 4.6316 4.6316 5.1967 5.1967 5.4246 5.4246 5.6513 5.6513 5.8748 5.8748 6.1512 6.1512 6.5130 6.5130 9.1356 9.1356 9.1430 9.1430 9.8507 9.8507 9.9028 9.9028 10.4942 10.4942 k =-0.0517 0.0185-0.0000 ( 4071 PWs) bands (ev): 3.1187 3.1187 4.0949 4.0949 4.2134 4.2134 4.3042 4.3042 4.5126 4.5126 4.6302 4.6302 5.1901 5.1901 5.4260 5.4260 5.6518 5.6518 5.8752 5.8752 6.1490 6.1490 6.5137 6.5137 9.1271 9.1271 9.1473 9.1473 9.8522 9.8522 9.9006 9.9006 10.4990 10.4990 k =-0.0690 0.0247-0.0000 ( 4067 PWs) bands (ev): 3.1338 3.1338 4.1014 4.1014 4.2187 4.2187 4.2988 4.2988 4.5077 4.5077 4.6284 4.6284 5.1811 5.1811 5.4279 5.4279 5.6523 5.6523 5.8756 5.8756 6.1460 6.1460 6.5145 6.5145 9.1158 9.1158 9.1532 9.1532 9.8385 9.8385 9.9129 9.9129 10.5064 10.5064 k =-0.0862 0.0308-0.0000 ( 4067 PWs) bands (ev): 3.1530 3.1530 4.1094 4.1094 4.2251 4.2251 4.2925 4.2925 4.5017 4.5017 4.6262 4.6262 5.1698 5.1698 5.4302 5.4302 5.6529 5.6529 5.8762 5.8762 6.1421 6.1421 6.5152 6.5152 9.1021 9.1021 9.1605 9.1605 9.8125 9.8125 9.9365 9.9365 10.5169 10.5169 k =-0.1034 0.0370-0.0000 ( 4077 PWs) bands (ev): 3.1763 3.1763 4.1188 4.1188 4.2321 4.2321 4.2861 4.2861 4.4945 4.4945 4.6237 4.6237 5.1564 5.1564 5.4329 5.4329 5.6533 5.6533 5.8770 5.8770 6.1374 6.1374 6.5154 6.5154 9.0865 9.0865 9.1692 9.1692 9.7792 9.7792 9.9663 9.9663 10.5307 10.5307 k =-0.1207 0.0432-0.0000 ( 4069 PWs) bands (ev): 3.2035 3.2035 4.1292 4.1292 4.2383 4.2383 4.2811 4.2811 4.4864 4.4864 4.6210 4.6210 5.1412 5.1412 5.4360 5.4360 5.6535 5.6535 5.8779 5.8779 6.1319 6.1319 6.5149 6.5149 9.0693 9.0693 9.1790 9.1790 9.7406 9.7406 10.0003 10.0003 10.5477 10.5477 k =-0.1379 0.0493-0.0000 ( 4071 PWs) bands (ev): 3.2344 3.2344 4.1400 4.1400 4.2414 4.2414 4.2806 4.2806 4.4774 4.4774 4.6184 4.6184 5.1244 5.1244 5.4394 5.4394 5.6535 5.6535 5.8790 5.8790 6.1257 6.1257 6.5134 6.5134 9.0507 9.0507 9.1898 9.1898 9.6981 9.6981 10.0371 10.0371 10.5678 10.5678 k =-0.1552 0.0555-0.0000 ( 4069 PWs) bands (ev): 3.2689 3.2689 4.1503 4.1503 4.2402 4.2402 4.2866 4.2866 4.4678 4.4678 4.6158 4.6158 5.1063 5.1063 5.4431 5.4431 5.6531 5.6531 5.8803 5.8803 6.1188 6.1188 6.5105 6.5105 9.0309 9.0309 9.2011 9.2011 9.6527 9.6527 10.0755 10.0755 10.5906 10.5906 k =-0.1724 0.0617-0.0000 ( 4073 PWs) bands (ev): 3.3067 3.3067 4.1586 4.1586 4.2377 4.2377 4.2975 4.2975 4.4578 4.4578 4.6135 4.6135 5.0871 5.0871 5.4469 5.4469 5.6523 5.6523 5.8818 5.8818 6.1113 6.1113 6.5058 6.5058 9.0099 9.0099 9.2128 9.2128 9.6057 9.6057 10.1146 10.1146 10.6158 10.6158 k =-0.1897 0.0678-0.0000 ( 4079 PWs) bands (ev): 3.3475 3.3475 4.1628 4.1628 4.2379 4.2379 4.3111 4.3111 4.4475 4.4475 4.6117 4.6117 5.0672 5.0672 5.4508 5.4508 5.6512 5.6512 5.8834 5.8834 6.1032 6.1032 6.4989 6.4989 8.9876 8.9876 9.2245 9.2245 9.5582 9.5582 10.1532 10.1532 10.6427 10.6427 k =-0.2069 0.0740-0.0000 ( 4073 PWs) bands (ev): 3.3909 3.3909 4.1617 4.1617 4.2430 4.2430 4.3264 4.3264 4.4374 4.4374 4.6105 4.6105 5.0468 5.0468 5.4547 5.4547 5.6496 5.6496 5.8851 5.8851 6.0947 6.0947 6.4895 6.4895 8.9641 8.9641 9.2358 9.2358 9.5115 9.5115 10.1902 10.1902 10.6704 10.6704 k =-0.2241 0.0802-0.0000 ( 4069 PWs) bands (ev): 3.4365 3.4365 4.1565 4.1565 4.2521 4.2521 4.3429 4.3429 4.4276 4.4276 4.6102 4.6102 5.0262 5.0262 5.4586 5.4586 5.6477 5.6477 5.8867 5.8867 6.0857 6.0857 6.4772 6.4772 8.9392 8.9392 9.2463 9.2463 9.4669 9.4669 10.2243 10.2243 10.6969 10.6969 k =-0.2414 0.0863-0.0000 ( 4065 PWs) bands (ev): 3.4837 3.4837 4.1493 4.1493 4.2632 4.2632 4.3600 4.3600 4.4185 4.4185 4.6109 4.6109 5.0055 5.0055 5.4624 5.4624 5.6456 5.6456 5.8884 5.8884 6.0763 6.0763 6.4617 6.4617 8.9129 8.9129 9.2554 9.2554 9.4255 9.4255 10.2541 10.2541 10.7162 10.7162 k =-0.2586 0.0925-0.0000 ( 4061 PWs) bands (ev): 3.5317 3.5317 4.1418 4.1418 4.2746 4.2746 4.3773 4.3773 4.4108 4.4108 4.6128 4.6128 4.9851 4.9851 5.4659 5.4659 5.6434 5.6434 5.8899 5.8899 6.0667 6.0667 6.4430 6.4430 8.8851 8.8851 9.2623 9.2623 9.3887 9.3887 10.2784 10.2784 10.7106 10.7106 k =-0.2759 0.0986-0.0000 ( 4072 PWs) bands (ev): 3.5798 3.5798 4.1353 4.1353 4.2851 4.2851 4.3928 4.3928 4.4066 4.4066 4.6162 4.6162 4.9651 4.9651 5.4691 5.4691 5.6412 5.6412 5.8911 5.8911 6.0570 6.0570 6.4208 6.4208 8.8562 8.8562 9.2656 9.2656 9.3580 9.3580 10.2958 10.2958 10.6723 10.6723 k =-0.2931 0.1048-0.0000 ( 4072 PWs) bands (ev): 3.6268 3.6268 4.1308 4.1308 4.2938 4.2938 4.3956 4.3956 4.4171 4.4171 4.6210 4.6210 4.9458 4.9458 5.4721 5.4721 5.6390 5.6390 5.8920 5.8920 6.0471 6.0471 6.3954 6.3954 8.8266 8.8266 9.2634 9.2634 9.3356 9.3356 10.3052 10.3052 10.6239 10.6239 k =-0.3103 0.1110-0.0000 ( 4074 PWs) bands (ev): 3.6715 3.6715 4.1293 4.1293 4.3004 4.3004 4.3934 4.3934 4.4343 4.4343 4.6274 4.6274 4.9273 4.9273 5.4746 5.4746 5.6371 5.6371 5.8924 5.8924 6.0374 6.0374 6.3668 6.3668 8.7968 8.7968 9.2545 9.2545 9.3224 9.3224 10.3062 10.3062 10.5771 10.5771 k =-0.3276 0.1171-0.0000 ( 4088 PWs) bands (ev): 3.7124 3.7124 4.1316 4.1316 4.3051 4.3051 4.3924 4.3924 4.4518 4.4518 4.6351 4.6351 4.9098 4.9098 5.4767 5.4767 5.6355 5.6355 5.8921 5.8921 6.0278 6.0278 6.3356 6.3356 8.7674 8.7674 9.2411 9.2411 9.3160 9.3160 10.2992 10.2992 10.5349 10.5349 k =-0.3448 0.1233-0.0000 ( 4080 PWs) bands (ev): 3.7481 3.7481 4.1381 4.1381 4.3087 4.3087 4.3927 4.3927 4.4690 4.4690 4.6439 4.6439 4.8934 4.8934 5.4784 5.4784 5.6343 5.6343 5.8911 5.8911 6.0187 6.0187 6.3024 6.3024 8.7393 8.7393 9.2268 9.2268 9.3124 9.3124 10.2853 10.2853 10.4979 10.4979 k =-0.3621 0.1295-0.0000 ( 4084 PWs) bands (ev): 3.7775 3.7775 4.1487 4.1487 4.3125 4.3125 4.3938 4.3938 4.4856 4.4856 4.6536 4.6536 4.8783 4.8783 5.4798 5.4798 5.6335 5.6335 5.8890 5.8890 6.0102 6.0102 6.2680 6.2680 8.7129 8.7129 9.2137 9.2137 9.3093 9.3093 10.2664 10.2664 10.4662 10.4662 k =-0.3793 0.1356-0.0000 ( 4080 PWs) bands (ev): 3.8002 3.8002 4.1621 4.1621 4.3179 4.3179 4.3951 4.3951 4.5012 4.5012 4.6635 4.6635 4.8645 4.8645 5.4808 5.4808 5.6333 5.6333 5.8857 5.8857 6.0025 6.0025 6.2334 6.2334 8.6888 8.6888 9.2025 9.2025 9.3060 9.3060 10.2446 10.2446 10.4392 10.4392 k =-0.3966 0.1418-0.0000 ( 4074 PWs) bands (ev): 3.8168 3.8168 4.1762 4.1762 4.3262 4.3262 4.3964 4.3964 4.5158 4.5158 4.6732 4.6732 4.8522 4.8522 5.4815 5.4815 5.6335 5.6335 5.8810 5.8810 5.9960 5.9960 6.2000 6.2000 8.6674 8.6674 9.1931 9.1931 9.3022 9.3022 10.2220 10.2220 10.4166 10.4166 k =-0.4138 0.1480-0.0000 ( 4078 PWs) bands (ev): 3.8282 3.8282 4.1885 4.1885 4.3379 4.3379 4.3975 4.3975 4.5290 4.5290 4.6823 4.6823 4.8415 4.8415 5.4820 5.4820 5.6341 5.6341 5.8750 5.8750 5.9908 5.9908 6.1690 6.1690 8.6490 8.6490 9.1856 9.1856 9.2982 9.2982 10.2002 10.2002 10.3980 10.3980 k =-0.4310 0.1541-0.0000 ( 4078 PWs) bands (ev): 3.8356 3.8356 4.1978 4.1978 4.3522 4.3522 4.3984 4.3984 4.5407 4.5407 4.6903 4.6903 4.8324 4.8324 5.4823 5.4823 5.6351 5.6351 5.8679 5.8679 5.9871 5.9871 6.1417 6.1417 8.6339 8.6339 9.1797 9.1797 9.2943 9.2943 10.1807 10.1807 10.3833 10.3833 k =-0.4483 0.1603-0.0000 ( 4074 PWs) bands (ev): 3.8403 3.8403 4.2039 4.2039 4.3670 4.3670 4.3990 4.3990 4.5506 4.5506 4.6969 4.6969 4.8251 4.8251 5.4825 5.4825 5.6362 5.6362 5.8605 5.8605 5.9847 5.9847 6.1192 6.1192 8.6220 8.6220 9.1754 9.1754 9.2908 9.2908 10.1645 10.1645 10.3721 10.3721 k =-0.4655 0.1665-0.0000 ( 4072 PWs) bands (ev): 3.8430 3.8430 4.2075 4.2075 4.3797 4.3797 4.3993 4.3993 4.5581 4.5581 4.7018 4.7018 4.8197 4.8197 5.4826 5.4826 5.6372 5.6372 5.8539 5.8539 5.9834 5.9834 6.1025 6.1025 8.6135 8.6135 9.1723 9.1723 9.2880 9.2880 10.1523 10.1523 10.3643 10.3643 k =-0.4828 0.1726-0.0000 ( 4078 PWs) bands (ev): 3.8444 3.8444 4.2094 4.2094 4.3882 4.3882 4.3995 4.3995 4.5629 4.5629 4.7047 4.7047 4.8163 4.8163 5.4827 5.4827 5.6380 5.6380 5.8492 5.8492 5.9829 5.9829 6.0922 6.0922 8.6084 8.6084 9.1706 9.1706 9.2863 9.2863 10.1448 10.1448 10.3597 10.3597 k =-0.5000 0.1788-0.0000 ( 4076 PWs) bands (ev): 3.8448 3.8448 4.2100 4.2100 4.3913 4.3913 4.3995 4.3995 4.5646 4.5646 4.7057 4.7057 4.8152 4.8152 5.4827 5.4827 5.6383 5.6383 5.8476 5.8476 5.9828 5.9828 6.0887 6.0887 8.6067 8.6067 9.1700 9.1700 9.2857 9.2857 10.1423 10.1423 10.3582 10.3582 k =-0.5000 0.1788-0.0000 ( 4076 PWs) bands (ev): 3.8448 3.8448 4.2100 4.2100 4.3913 4.3913 4.3995 4.3995 4.5646 4.5646 4.7057 4.7057 4.8152 4.8152 5.4827 5.4827 5.6383 5.6383 5.8476 5.8476 5.9828 5.9828 6.0887 6.0887 8.6067 8.6067 9.1700 9.1700 9.2857 9.2857 10.1423 10.1423 10.3582 10.3582 k =-0.4938 0.1962-0.0000 ( 4074 PWs) bands (ev): 3.8462 3.8462 4.2112 4.2112 4.3892 4.3892 4.4031 4.4031 4.5648 4.5648 4.7066 4.7066 4.8156 4.8156 5.4813 5.4813 5.6338 5.6338 5.8539 5.8539 5.9829 5.9829 6.0895 6.0895 8.6083 8.6083 9.1686 9.1686 9.2812 9.2812 10.1423 10.1423 10.3588 10.3588 k =-0.4875 0.2136-0.0000 ( 4074 PWs) bands (ev): 3.8502 3.8502 4.2149 4.2149 4.3863 4.3863 4.4103 4.4103 4.5653 4.5653 4.7091 4.7091 4.8166 4.8166 5.4770 5.4770 5.6219 5.6219 5.8711 5.8711 5.9834 5.9834 6.0922 6.0922 8.6133 8.6133 9.1646 9.1646 9.2681 9.2681 10.1423 10.1423 10.3604 10.3604 k =-0.4813 0.2311-0.0000 ( 4078 PWs) bands (ev): 3.8570 3.8570 4.2210 4.2210 4.3844 4.3844 4.4195 4.4195 4.5662 4.5662 4.7133 4.7133 4.8185 4.8185 5.4696 5.4696 5.6064 5.6064 5.8954 5.8954 5.9844 5.9844 6.0969 6.0969 8.6213 8.6213 9.1579 9.1579 9.2466 9.2466 10.1422 10.1422 10.3630 10.3630 k =-0.4751 0.2485-0.0000 ( 4080 PWs) bands (ev): 3.8663 3.8663 4.2294 4.2294 4.3837 4.3837 4.4303 4.4303 4.5676 4.5676 4.7189 4.7189 4.8212 4.8212 5.4589 5.4589 5.5903 5.5903 5.9230 5.9230 5.9864 5.9864 6.1040 6.1040 8.6324 8.6324 9.1485 9.1485 9.2174 9.2174 10.1419 10.1419 10.3666 10.3666 k =-0.4689 0.2659-0.0000 ( 4084 PWs) bands (ev): 3.8780 3.8780 4.2399 4.2399 4.3841 4.3841 4.4427 4.4427 4.5693 4.5693 4.7261 4.7261 4.8249 4.8249 5.4451 5.4451 5.5756 5.5756 5.9495 5.9495 5.9912 5.9912 6.1143 6.1143 8.6462 8.6462 9.1356 9.1356 9.1820 9.1820 10.1411 10.1411 10.3711 10.3711 k =-0.4626 0.2833-0.0000 ( 4092 PWs) bands (ev): 3.8922 3.8922 4.2524 4.2524 4.3856 4.3856 4.4566 4.4566 4.5715 4.5715 4.7345 4.7345 4.8296 4.8296 5.4287 5.4287 5.5629 5.5629 5.9673 5.9673 6.0039 6.0039 6.1291 6.1291 8.6624 8.6624 9.1144 9.1144 9.1461 9.1461 10.1396 10.1396 10.3764 10.3764 k =-0.4564 0.3007-0.0000 ( 4098 PWs) bands (ev): 3.9086 3.9086 4.2665 4.2665 4.3882 4.3882 4.4719 4.4719 4.5743 4.5743 4.7441 4.7441 4.8357 4.8357 5.4107 5.4107 5.5523 5.5523 5.9745 5.9745 6.0243 6.0243 6.1497 6.1497 8.6806 8.6806 9.0737 9.0737 9.1221 9.1221 10.1371 10.1371 10.3823 10.3823 k =-0.4502 0.3182-0.0000 ( 4098 PWs) bands (ev): 3.9270 3.9270 4.2820 4.2820 4.3919 4.3919 4.4882 4.4882 4.5778 4.5778 4.7548 4.7548 4.8431 4.8431 5.3922 5.3922 5.5435 5.5435 5.9774 5.9774 6.0444 6.0444 6.1774 6.1774 8.7002 8.7002 9.0197 9.0197 9.1051 9.1051 10.1333 10.1333 10.3887 10.3887 k =-0.4439 0.3356-0.0000 ( 4090 PWs) bands (ev): 3.9472 3.9472 4.2985 4.2985 4.3966 4.3966 4.5054 4.5054 4.5822 4.5822 4.7663 4.7663 4.8521 4.8521 5.3743 5.3743 5.5359 5.5359 5.9789 5.9789 6.0613 6.0613 6.2118 6.2118 8.7204 8.7204 8.9591 8.9591 9.0895 9.0895 10.1275 10.1275 10.3953 10.3953 k =-0.4377 0.3530-0.0000 ( 4078 PWs) bands (ev): 3.9691 3.9691 4.3156 4.3156 4.4023 4.4023 4.5227 4.5227 4.5879 4.5879 4.7786 4.7786 4.8626 4.8626 5.3578 5.3578 5.5293 5.5293 5.9799 5.9799 6.0751 6.0751 6.2516 6.2516 8.7403 8.7403 8.8942 8.8942 9.0749 9.0749 10.1195 10.1195 10.4021 10.4021 k =-0.4315 0.3704-0.0000 ( 4078 PWs) bands (ev): 3.9924 3.9924 4.3330 4.3330 4.4091 4.4091 4.5394 4.5394 4.5957 4.5957 4.7914 4.7914 4.8748 4.8748 5.3435 5.3435 5.5234 5.5234 5.9805 5.9805 6.0869 6.0869 6.2953 6.2953 8.7576 8.7576 8.8273 8.8273 9.0614 9.0614 10.1087 10.1087 10.4087 10.4087 k =-0.4252 0.3878-0.0000 ( 4078 PWs) bands (ev): 4.0167 4.0167 4.3503 4.3503 4.4170 4.4170 4.5544 4.5544 4.6065 4.6065 4.8048 4.8048 4.8887 4.8887 5.3322 5.3322 5.5182 5.5182 5.9809 5.9809 6.0974 6.0974 6.3420 6.3420 8.7440 8.7440 8.7862 8.7862 9.0497 9.0497 10.0945 10.0945 10.4149 10.4149 k =-0.4190 0.4053-0.0000 ( 4066 PWs) bands (ev): 4.0418 4.0418 4.3673 4.3673 4.4258 4.4258 4.5668 4.5668 4.6206 4.6206 4.8185 4.8185 4.9044 4.9044 5.3243 5.3243 5.5136 5.5136 5.9810 5.9810 6.1072 6.1072 6.3909 6.3909 8.6751 8.6751 8.7952 8.7952 9.0402 9.0402 10.0764 10.0764 10.4204 10.4204 k =-0.4128 0.4227-0.0000 ( 4070 PWs) bands (ev): 4.0674 4.0674 4.3837 4.3837 4.4353 4.4353 4.5770 4.5770 4.6374 4.6374 4.8326 4.8326 4.9219 4.9219 5.3203 5.3203 5.5095 5.5095 5.9809 5.9809 6.1165 6.1165 6.4416 6.4416 8.6006 8.6006 8.8045 8.8045 9.0327 9.0327 10.0539 10.0539 10.4250 10.4250 k =-0.4066 0.4401-0.0000 ( 4070 PWs) bands (ev): 4.0930 4.0930 4.3997 4.3997 4.4453 4.4453 4.5858 4.5858 4.6555 4.6555 4.8472 4.8472 4.9413 4.9413 5.3206 5.3206 5.5061 5.5061 5.9804 5.9804 6.1256 6.1256 6.4938 6.4938 8.5247 8.5247 8.8100 8.8100 9.0267 9.0267 10.0264 10.0264 10.4283 10.4283 k =-0.4003 0.4575-0.0000 ( 4060 PWs) bands (ev): 4.1185 4.1185 4.4157 4.4157 4.4553 4.4553 4.5938 4.5938 4.6738 4.6738 4.8625 4.8625 4.9627 4.9627 5.3252 5.3252 5.5033 5.5033 5.9797 5.9797 6.1345 6.1345 6.5473 6.5473 8.4484 8.4484 8.8118 8.8118 9.0208 9.0208 9.9937 9.9937 10.4301 10.4301 k =-0.3941 0.4749-0.0000 ( 4054 PWs) bands (ev): 4.1434 4.1434 4.4318 4.4318 4.4650 4.4650 4.6013 4.6013 4.6911 4.6911 4.8788 4.8788 4.9860 4.9860 5.3341 5.3341 5.5013 5.5013 5.9786 5.9786 6.1433 6.1433 6.6018 6.6018 8.3724 8.3724 8.8102 8.8102 9.0131 9.0131 9.9553 9.9553 10.4301 10.4301 k =-0.3879 0.4924-0.0000 ( 4060 PWs) bands (ev): 4.1673 4.1673 4.4486 4.4486 4.4740 4.4740 4.6085 4.6085 4.7069 4.7069 4.8961 4.8961 5.0114 5.0114 5.3470 5.3470 5.5002 5.5002 5.9770 5.9770 6.1521 6.1521 6.6572 6.6572 8.2973 8.2973 8.8058 8.8058 9.0021 9.0021 9.9111 9.9111 10.4281 10.4281 k =-0.3816 0.5098-0.0000 ( 4056 PWs) bands (ev): 4.1900 4.1900 4.4663 4.4663 4.4823 4.4823 4.6152 4.6152 4.7209 4.7209 4.9147 4.9147 5.0388 5.0388 5.3636 5.3636 5.5001 5.5001 5.9751 5.9751 6.1609 6.1609 6.7132 6.7132 8.2235 8.2235 8.7981 8.7981 8.9870 8.9870 9.8609 9.8609 10.4237 10.4237 k =-0.3754 0.5272-0.0000 ( 4054 PWs) bands (ev): 4.2113 4.2113 4.4849 4.4849 4.4898 4.4898 4.6213 4.6213 4.7332 4.7332 4.9342 4.9342 5.0680 5.0680 5.3830 5.3830 5.5015 5.5015 5.9727 5.9727 6.1696 6.1696 6.7698 6.7698 8.1516 8.1516 8.7857 8.7857 8.9687 8.9687 9.8047 9.8047 10.4169 10.4169 k =-0.3692 0.5446-0.0000 ( 4074 PWs) bands (ev): 4.2310 4.2310 4.4961 4.4961 4.5049 4.5049 4.6269 4.6269 4.7440 4.7440 4.9545 4.9545 5.0990 5.0990 5.4043 5.4043 5.5050 5.5050 5.9699 5.9699 6.1784 6.1784 6.8267 6.8267 8.0820 8.0820 8.7648 8.7648 8.9505 8.9505 9.7428 9.7428 10.4077 10.4077 k =-0.3630 0.5620-0.0000 ( 4072 PWs) bands (ev): 4.2492 4.2492 4.5017 4.5017 4.5256 4.5256 4.6322 4.6322 4.7536 4.7536 4.9751 4.9751 5.1315 5.1315 5.4258 5.4258 5.5117 5.5117 5.9666 5.9666 6.1872 6.1872 6.8835 6.8835 8.0150 8.0150 8.7306 8.7306 8.9375 8.9375 9.6753 9.6753 10.3960 10.3960 k =-0.3567 0.5795-0.0000 ( 4072 PWs) bands (ev): 4.2659 4.2659 4.5062 4.5062 4.5470 4.5470 4.6372 4.6372 4.7624 4.7624 4.9956 4.9956 5.1652 5.1652 5.4452 5.4452 5.5238 5.5238 5.9629 5.9629 6.1961 6.1961 6.9402 6.9402 7.9512 7.9512 8.6800 8.6800 8.9332 8.9332 9.6027 9.6027 10.3820 10.3820 k =-0.3505 0.5969-0.0000 ( 4080 PWs) bands (ev): 4.2812 4.2812 4.5099 4.5099 4.5686 4.5686 4.6424 4.6424 4.7705 4.7705 5.0157 5.0157 5.1999 5.1999 5.4602 5.4602 5.5429 5.5429 5.9587 5.9587 6.2050 6.2050 6.9964 6.9964 7.8909 7.8909 8.6136 8.6136 8.9381 8.9381 9.5254 9.5254 10.3658 10.3658 k =-0.3443 0.6143-0.0000 ( 4084 PWs) bands (ev): 4.2954 4.2954 4.5126 4.5126 4.5900 4.5900 4.6480 4.6480 4.7781 4.7781 5.0352 5.0352 5.2351 5.2351 5.4707 5.4707 5.5689 5.5689 5.9541 5.9541 6.2140 6.2140 7.0518 7.0518 7.8345 7.8345 8.5337 8.5337 8.9509 8.9509 9.4439 9.4439 10.3479 10.3479 k =-0.3380 0.6317-0.0000 ( 4080 PWs) bands (ev): 4.3086 4.3086 4.5146 4.5146 4.6100 4.6100 4.6548 4.6548 4.7852 4.7852 5.0539 5.0539 5.2706 5.2706 5.4784 5.4784 5.5999 5.5999 5.9491 5.9491 6.2231 6.2231 7.1059 7.1059 7.7824 7.7824 8.4426 8.4426 8.9705 8.9705 9.3590 9.3590 10.3285 10.3285 k =-0.3318 0.6491-0.0000 ( 4084 PWs) bands (ev): 4.3211 4.3211 4.5159 4.5159 4.6275 4.6275 4.6636 4.6636 4.7921 4.7921 5.0716 5.0716 5.3061 5.3061 5.4846 5.4846 5.6339 5.6339 5.9437 5.9437 6.2323 6.2323 7.1585 7.1585 7.7348 7.7348 8.3426 8.3426 8.9958 8.9958 9.2717 9.2717 10.3080 10.3080 k =-0.3256 0.6666-0.0000 ( 4090 PWs) bands (ev): 4.3328 4.3328 4.5168 4.5168 4.6409 4.6409 4.6755 4.6755 4.7988 4.7988 5.0884 5.0884 5.3414 5.3414 5.4902 5.4902 5.6699 5.6699 5.9381 5.9381 6.2418 6.2418 7.2090 7.2090 7.6921 7.6921 8.2352 8.2352 9.0254 9.0254 9.1834 9.1834 10.2868 10.2868 k =-0.3193 0.6840-0.0000 ( 4098 PWs) bands (ev): 4.3440 4.3440 4.5176 4.5176 4.6499 4.6499 4.6900 4.6900 4.8055 4.8055 5.1042 5.1042 5.3762 5.3762 5.4956 5.4956 5.7068 5.7068 5.9323 5.9323 6.2515 6.2515 7.2568 7.2568 7.6547 7.6547 8.1221 8.1221 9.0481 9.0481 9.1060 9.1060 10.2654 10.2654 k =-0.3131 0.7014-0.0000 ( 4094 PWs) bands (ev): 4.3547 4.3547 4.5185 4.5185 4.6557 4.6557 4.7054 4.7054 4.8124 4.8124 5.1191 5.1191 5.4102 5.4102 5.5011 5.5011 5.7441 5.7441 5.9264 5.9264 6.2615 6.2615 7.3012 7.3012 7.6227 7.6227 8.0047 8.0047 8.9887 8.9887 9.1154 9.1154 10.2442 10.2442 k =-0.3069 0.7188-0.0000 ( 4090 PWs) bands (ev): 4.3650 4.3650 4.5198 4.5198 4.6592 4.6592 4.7203 4.7203 4.8197 4.8197 5.1331 5.1331 5.4430 5.4430 5.5071 5.5071 5.7811 5.7811 5.9206 5.9206 6.2721 6.2721 7.3409 7.3409 7.5965 7.5965 7.8844 7.8844 8.9004 8.9004 9.1589 9.1589 10.2235 10.2235 k =-0.3007 0.7363-0.0000 ( 4082 PWs) bands (ev): 4.3748 4.3748 4.5215 4.5215 4.6604 4.6604 4.7341 4.7341 4.8275 4.8275 5.1462 5.1462 5.4737 5.4737 5.5143 5.5143 5.8171 5.8171 5.9153 5.9153 6.2833 6.2833 7.3741 7.3741 7.5764 7.5764 7.7637 7.7637 8.8115 8.8115 9.2092 9.2092 10.2038 10.2038 k =-0.2944 0.7537-0.0000 ( 4094 PWs) bands (ev): 4.3841 4.3841 4.5238 4.5238 4.6594 4.6594 4.7467 4.7467 4.8357 4.8357 5.1586 5.1586 5.4985 5.4985 5.5262 5.5262 5.8507 5.8507 5.9114 5.9114 6.2952 6.2952 7.3953 7.3953 7.5625 7.5625 7.6476 7.6476 8.7251 8.7251 9.2643 9.2643 10.1853 10.1853 k =-0.2882 0.7711-0.0000 ( 4094 PWs) bands (ev): 4.3929 4.3929 4.5268 4.5268 4.6560 4.6560 4.7581 4.7581 4.8442 4.8442 5.1704 5.1704 5.5120 5.5120 5.5481 5.5481 5.8774 5.8774 5.9131 5.9131 6.3080 6.3080 7.3864 7.3864 7.5470 7.5470 7.5621 7.5621 8.6426 8.6426 9.3236 9.3236 10.1684 10.1684 k =-0.2820 0.7885-0.0000 ( 4086 PWs) bands (ev): 4.4012 4.4012 4.5305 4.5305 4.6503 4.6503 4.7685 4.7685 4.8529 4.8529 5.1815 5.1815 5.5192 5.5192 5.5747 5.5747 5.8866 5.8866 5.9306 5.9306 6.3220 6.3220 7.3146 7.3146 7.5122 7.5122 7.5575 7.5575 8.5659 8.5659 9.3868 9.3868 10.1533 10.1533 k =-0.2820 0.7885-0.0000 ( 4086 PWs) bands (ev): 4.4012 4.4012 4.5305 4.5305 4.6503 4.6503 4.7685 4.7685 4.8529 4.8529 5.1815 5.1815 5.5192 5.5192 5.5747 5.5747 5.8866 5.8866 5.9306 5.9306 6.3220 6.3220 7.3146 7.3146 7.5122 7.5122 7.5575 7.5575 8.5659 8.5659 9.3868 9.3868 10.1533 10.1533 k =-0.2820 0.7885 0.0185 ( 4082 PWs) bands (ev): 4.4003 4.4003 4.5296 4.5296 4.6498 4.6498 4.7677 4.7677 4.8522 4.8522 5.1847 5.1847 5.5066 5.5066 5.5910 5.5910 5.8850 5.8850 5.9303 5.9303 6.3223 6.3223 7.3141 7.3141 7.4903 7.4903 7.5782 7.5782 8.5678 8.5678 9.3843 9.3843 10.1537 10.1537 k =-0.2820 0.7885 0.0370 ( 4084 PWs) bands (ev): 4.3975 4.3975 4.5272 4.5272 4.6481 4.6481 4.7654 4.7654 4.8504 4.8504 5.1937 5.1937 5.4855 5.4855 5.6235 5.6235 5.8800 5.8800 5.9294 5.9294 6.3231 6.3231 7.3117 7.3117 7.4555 7.4555 7.6108 7.6108 8.5734 8.5734 9.3770 9.3770 10.1546 10.1546 k =-0.2820 0.7885 0.0555 ( 4087 PWs) bands (ev): 4.3928 4.3928 4.5231 4.5231 4.6452 4.6452 4.7619 4.7619 4.8482 4.8482 5.2072 5.2072 5.4662 5.4662 5.6616 5.6616 5.8718 5.8718 5.9285 5.9285 6.3244 6.3244 7.3033 7.3033 7.4236 7.4236 7.6437 7.6437 8.5822 8.5822 9.3655 9.3655 10.1554 10.1554 k =-0.2820 0.7885 0.0739 ( 4081 PWs) bands (ev): 4.3861 4.3861 4.5172 4.5172 4.6414 4.6414 4.7579 4.7579 4.8463 4.8463 5.2235 5.2235 5.4511 5.4511 5.7023 5.7023 5.8610 5.8610 5.9276 5.9276 6.3263 6.3263 7.2822 7.2822 7.4026 7.4026 7.6762 7.6762 8.5937 8.5937 9.3510 9.3510 10.1551 10.1551 k =-0.2820 0.7885 0.0924 ( 4085 PWs) bands (ev): 4.3776 4.3776 4.5094 4.5094 4.6367 4.6367 4.7543 4.7543 4.8452 4.8452 5.2405 5.2405 5.4416 5.4416 5.7429 5.7429 5.8496 5.8496 5.9269 5.9269 6.3289 6.3289 7.2460 7.2460 7.3953 7.3953 7.7085 7.7085 8.6071 8.6071 9.3346 9.3346 10.1524 10.1524 k =-0.2820 0.7885 0.1109 ( 4089 PWs) bands (ev): 4.3671 4.3671 4.4997 4.4997 4.6316 4.6316 4.7516 4.7516 4.8450 4.8450 5.2562 5.2562 5.4385 5.4385 5.7749 5.7749 5.8459 5.8459 5.9264 5.9264 6.3324 6.3324 7.1997 7.1997 7.3970 7.3970 7.7410 7.7410 8.6217 8.6217 9.3177 9.3177 10.1463 10.1463 k =-0.2820 0.7885 0.1294 ( 4081 PWs) bands (ev): 4.3550 4.3550 4.4879 4.4879 4.6267 4.6267 4.7502 4.7502 4.8455 4.8455 5.2689 5.2689 5.4423 5.4423 5.7794 5.7794 5.8679 5.8679 5.9263 5.9263 6.3373 6.3373 7.1481 7.1481 7.4028 7.4028 7.7743 7.7743 8.6368 8.6368 9.3015 9.3015 10.1359 10.1359 k =-0.2820 0.7885 0.1479 ( 4080 PWs) bands (ev): 4.3412 4.3412 4.4743 4.4743 4.6224 4.6224 4.7504 4.7504 4.8468 4.8468 5.2780 5.2780 5.4529 5.4529 5.7641 5.7641 5.9061 5.9061 5.9278 5.9278 6.3445 6.3445 7.0939 7.0939 7.4100 7.4100 7.8090 7.8090 8.6519 8.6519 9.2875 9.2875 10.1205 10.1205 k =-0.2820 0.7885 0.1664 ( 4082 PWs) bands (ev): 4.3262 4.3262 4.4591 4.4591 4.6190 4.6190 4.7519 4.7519 4.8486 4.8486 5.2839 5.2839 5.4688 5.4688 5.7425 5.7425 5.9230 5.9230 5.9537 5.9537 6.3550 6.3550 7.0387 7.0387 7.4170 7.4170 7.8455 7.8455 8.6666 8.6666 9.2767 9.2767 10.0999 10.0999 k =-0.2820 0.7885 0.1849 ( 4078 PWs) bands (ev): 4.3101 4.3101 4.4428 4.4428 4.6165 4.6165 4.7547 4.7547 4.8507 4.8507 5.2878 5.2878 5.4881 5.4881 5.7186 5.7186 5.9237 5.9237 5.9934 5.9934 6.3706 6.3706 6.9835 6.9835 7.4228 7.4228 7.8843 7.8843 8.6806 8.6806 9.2702 9.2702 10.0743 10.0743 k =-0.2820 0.7885 0.2034 ( 4084 PWs) bands (ev): 4.2933 4.2933 4.4258 4.4258 4.6148 4.6148 4.7587 4.7587 4.8530 4.8530 5.2907 5.2907 5.5091 5.5091 5.6937 5.6937 5.9236 5.9236 6.0285 6.0285 6.3929 6.3929 6.9293 6.9293 7.4267 7.4267 7.9255 7.9255 8.6938 8.6938 9.2688 9.2688 10.0442 10.0442 k =-0.2820 0.7885 0.2218 ( 4081 PWs) bands (ev): 4.2762 4.2762 4.4086 4.4086 4.6135 4.6135 4.7635 4.7635 4.8556 4.8556 5.2933 5.2933 5.5302 5.5302 5.6687 5.6687 5.9234 5.9234 6.0562 6.0562 6.4234 6.4234 6.8768 6.8768 7.4284 7.4284 7.9695 7.9695 8.7062 8.7062 9.2731 9.2731 10.0103 10.0103 k =-0.2820 0.7885 0.2403 ( 4087 PWs) bands (ev): 4.2589 4.2589 4.3914 4.3914 4.6125 4.6125 4.7690 4.7690 4.8583 4.8583 5.2960 5.2960 5.5500 5.5500 5.6447 5.6447 5.9229 5.9229 6.0755 6.0755 6.4622 6.4622 6.8266 6.8266 7.4275 7.4275 8.0163 8.0163 8.7178 8.7178 9.2834 9.2834 9.9733 9.9733 k =-0.2820 0.7885 0.2588 ( 4085 PWs) bands (ev): 4.2419 4.2419 4.3747 4.3747 4.6115 4.6115 4.7749 4.7749 4.8613 4.8613 5.2992 5.2992 5.5660 5.5660 5.6238 5.6238 5.9224 5.9224 6.0869 6.0869 6.5078 6.5078 6.7796 6.7796 7.4245 7.4245 8.0658 8.0658 8.7290 8.7290 9.2997 9.2997 9.9344 9.9344 k =-0.2820 0.7885 0.2773 ( 4087 PWs) bands (ev): 4.2253 4.2253 4.3584 4.3584 4.6102 4.6102 4.7806 4.7806 4.8648 4.8648 5.3028 5.3028 5.5703 5.5703 5.6138 5.6138 5.9217 5.9217 6.0917 6.0917 6.5572 6.5572 6.7373 6.7373 7.4199 7.4199 8.1177 8.1177 8.7400 8.7400 9.3216 9.3216 9.8946 9.8946 k =-0.2820 0.7885 0.2958 ( 4087 PWs) bands (ev): 4.2093 4.2093 4.3429 4.3429 4.6086 4.6086 4.7856 4.7856 4.8693 4.8693 5.3068 5.3068 5.5574 5.5574 5.6203 5.6203 5.9209 5.9209 6.0913 6.0913 6.6034 6.6034 6.7044 6.7044 7.4149 7.4149 8.1716 8.1716 8.7512 8.7512 9.3484 9.3484 9.8552 9.8552 k =-0.2820 0.7885 0.3143 ( 4088 PWs) bands (ev): 4.1943 4.1943 4.3281 4.3281 4.6064 4.6064 4.7892 4.7892 4.8754 4.8754 5.3111 5.3111 5.5386 5.5386 5.6322 5.6322 5.9199 5.9199 6.0871 6.0871 6.6214 6.6214 6.7034 6.7034 7.4110 7.4110 8.2268 8.2268 8.7631 8.7631 9.3785 9.3785 9.8181 9.8181 k =-0.2820 0.7885 0.3328 ( 4090 PWs) bands (ev): 4.1803 4.1803 4.3140 4.3140 4.6037 4.6037 4.7907 4.7907 4.8834 4.8834 5.3154 5.3154 5.5195 5.5195 5.6440 5.6440 5.9187 5.9187 6.0800 6.0800 6.6021 6.6021 6.7408 6.7408 7.4105 7.4105 8.2823 8.2823 8.7764 8.7764 9.4095 9.4095 9.7855 9.7855 k =-0.2820 0.7885 0.3512 ( 4088 PWs) bands (ev): 4.1675 4.1675 4.3008 4.3008 4.6004 4.6004 4.7898 4.7898 4.8936 4.8936 5.3195 5.3195 5.5017 5.5017 5.6545 5.6545 5.9174 5.9174 6.0709 6.0709 6.5758 6.5758 6.7831 6.7831 7.4163 7.4163 8.3369 8.3369 8.7918 8.7918 9.4372 9.4372 9.7616 9.7616 k =-0.2820 0.7885 0.3697 ( 4086 PWs) bands (ev): 4.1560 4.1560 4.2882 4.2882 4.5966 4.5966 4.7865 4.7865 4.9061 4.9061 5.3229 5.3229 5.4859 5.4859 5.6633 5.6633 5.9160 5.9160 6.0604 6.0604 6.5513 6.5513 6.8186 6.8186 7.4314 7.4314 8.3888 8.3888 8.8103 8.8103 9.4559 9.4559 9.7516 9.7516 k =-0.2820 0.7885 0.3882 ( 4086 PWs) bands (ev): 4.1459 4.1459 4.2763 4.2763 4.5925 4.5925 4.7809 4.7809 4.9205 4.9205 5.3252 5.3252 5.4725 5.4725 5.6705 5.6705 5.9144 5.9144 6.0491 6.0491 6.5300 6.5300 6.8431 6.8431 7.4583 7.4583 8.4363 8.4363 8.8328 8.8328 9.4601 9.4601 9.7605 9.7605 k =-0.2820 0.7885 0.4067 ( 4085 PWs) bands (ev): 4.1372 4.1372 4.2650 4.2650 4.5881 4.5881 4.7734 4.7734 4.9365 4.9365 5.3257 5.3257 5.4621 5.4621 5.6760 5.6760 5.9128 5.9128 6.0373 6.0373 6.5125 6.5125 6.8553 6.8553 7.4981 7.4981 8.4774 8.4774 8.8600 8.8600 9.4493 9.4493 9.7882 9.7882 k =-0.2820 0.7885 0.4252 ( 4089 PWs) bands (ev): 4.1301 4.1301 4.2541 4.2541 4.5837 4.5837 4.7643 4.7643 4.9538 4.9538 5.3241 5.3241 5.4547 5.4547 5.6800 5.6800 5.9111 5.9111 6.0254 6.0254 6.4989 6.4989 6.8557 6.8557 7.5499 7.5499 8.5109 8.5109 8.8918 8.8918 9.4280 9.4280 9.8294 9.8294 k =-0.2820 0.7885 0.4437 ( 4081 PWs) bands (ev): 4.1246 4.1246 4.2436 4.2436 4.5794 4.5794 4.7540 4.7540 4.9722 4.9722 5.3200 5.3200 5.4506 5.4506 5.6827 5.6827 5.9094 5.9094 6.0138 6.0138 6.4892 6.4892 6.8463 6.8463 7.6117 7.6117 8.5361 8.5361 8.9272 8.9272 9.4010 9.4010 9.8786 9.8786 k =-0.2820 0.7885 0.4622 ( 4075 PWs) bands (ev): 4.1206 4.1206 4.2333 4.2333 4.5756 4.5756 4.7427 4.7427 4.9914 4.9914 5.3134 5.3134 5.4493 5.4493 5.6841 5.6841 5.9077 5.9077 6.0027 6.0027 6.4832 6.4832 6.8296 6.8296 7.6811 7.6811 8.5530 8.5530 8.9644 8.9644 9.3714 9.3714 9.9314 9.9314 k =-0.2820 0.7885 0.4807 ( 4069 PWs) bands (ev): 4.1182 4.1182 4.2233 4.2233 4.5723 4.5723 4.7309 4.7309 5.0112 5.0112 5.3047 5.3047 5.4502 5.4502 5.6844 5.6844 5.9062 5.9062 5.9923 5.9923 6.4811 6.4811 6.8076 6.8076 7.7557 7.7557 8.5620 8.5620 9.0010 9.0010 9.3412 9.3412 9.9848 9.9848 k =-0.2820 0.7885 0.4991 ( 4065 PWs) bands (ev): 4.1172 4.1172 4.2133 4.2133 4.5697 4.5697 4.7188 4.7188 5.0314 5.0314 5.2941 5.2941 5.4527 5.4527 5.6839 5.6839 5.9049 5.9049 5.9827 5.9827 6.4825 6.4825 6.7823 6.7823 7.8335 7.8335 8.5636 8.5636 9.0346 9.0346 9.3116 9.3116 10.0364 10.0364 k =-0.2820 0.7885 0.5176 ( 4068 PWs) bands (ev): 4.1178 4.1178 4.2035 4.2035 4.5680 4.5680 4.7069 4.7069 5.0517 5.0517 5.2822 5.2822 5.4561 5.4561 5.6827 5.6827 5.9039 5.9039 5.9741 5.9741 6.4874 6.4874 6.7549 6.7549 7.9131 7.9131 8.5577 8.5577 9.0637 9.0637 9.2833 9.2833 10.0839 10.0839 k =-0.2820 0.7885 0.5361 ( 4072 PWs) bands (ev): 4.1197 4.1197 4.1937 4.1937 4.5672 4.5672 4.6955 4.6955 5.0720 5.0720 5.2691 5.2691 5.4599 5.4599 5.6811 5.6811 5.9031 5.9031 5.9665 5.9665 6.4956 6.4956 6.7266 6.7266 7.9928 7.9928 8.5442 8.5442 9.0876 9.0876 9.2568 9.2568 10.1255 10.1255 k =-0.2820 0.7885 0.5546 ( 4067 PWs) bands (ev): 4.1229 4.1229 4.1841 4.1841 4.5671 4.5671 4.6851 4.6851 5.0919 5.0919 5.2552 5.2552 5.4636 5.4636 5.6793 5.6793 5.9027 5.9027 5.9601 5.9601 6.5068 6.5068 6.6982 6.6982 8.0716 8.0716 8.5227 8.5227 9.1065 9.1065 9.2324 9.2324 10.1594 10.1594 k =-0.2820 0.7885 0.5731 ( 4070 PWs) bands (ev): 4.1274 4.1274 4.1747 4.1747 4.5676 4.5676 4.6761 4.6761 5.1109 5.1109 5.2408 5.2408 5.4669 5.4669 5.6776 5.6776 5.9025 5.9025 5.9548 5.9548 6.5206 6.5206 6.6707 6.6707 8.1481 8.1481 8.4926 8.4926 9.1216 9.1216 9.2105 9.2105 10.1849 10.1849 k =-0.2820 0.7885 0.5916 ( 4070 PWs) bands (ev): 4.1327 4.1327 4.1658 4.1658 4.5685 4.5685 4.6691 4.6691 5.1283 5.1283 5.2269 5.2269 5.4695 5.4695 5.6761 5.6761 5.9026 5.9026 5.9510 5.9510 6.5361 6.5361 6.6451 6.6451 8.2210 8.2210 8.4539 8.4539 9.1344 9.1344 9.1910 9.1910 10.2021 10.2021 k =-0.2820 0.7885 0.6101 ( 4074 PWs) bands (ev): 4.1386 4.1386 4.1578 4.1578 4.5692 4.5692 4.6646 4.6646 5.1421 5.1421 5.2152 5.2152 5.4711 5.4711 5.6752 5.6752 5.9026 5.9026 5.9485 5.9485 6.5514 6.5514 6.6238 6.6238 8.2892 8.2892 8.4067 8.4067 9.1466 9.1466 9.1742 9.1742 10.2119 10.2119 k =-0.2820 0.7885 0.6285 ( 4082 PWs) bands (ev): 4.1424 4.1424 4.1533 4.1533 4.5695 4.5695 4.6630 4.6630 5.1478 5.1478 5.2102 5.2102 5.4716 5.4716 5.6748 5.6748 5.9027 5.9027 5.9477 5.9477 6.5593 6.5593 6.6139 6.6139 8.3501 8.3501 8.3529 8.3529 9.1593 9.1593 9.1597 9.1597 10.2151 10.2151 k =-0.2820 0.7885 0.6285 ( 4082 PWs) bands (ev): 4.1424 4.1424 4.1533 4.1533 4.5695 4.5695 4.6630 4.6630 5.1478 5.1478 5.2102 5.2102 5.4716 5.4716 5.6748 5.6748 5.9027 5.9027 5.9477 5.9477 6.5593 6.5593 6.6139 6.6139 8.3501 8.3501 8.3529 8.3529 9.1593 9.1593 9.1597 9.1597 10.2151 10.2151 k =-0.2882 0.7711 0.6285 ( 4074 PWs) bands (ev): 4.1540 4.1540 4.1651 4.1651 4.5628 4.5628 4.6571 4.6571 5.1501 5.1501 5.2094 5.2094 5.4730 5.4730 5.6745 5.6745 5.8885 5.8885 5.9313 5.9313 6.5756 6.5756 6.6307 6.6307 8.3327 8.3327 8.3339 8.3339 9.1775 9.1775 9.1837 9.1837 10.2150 10.2150 k =-0.2944 0.7537 0.6285 ( 4074 PWs) bands (ev): 4.1669 4.1669 4.1780 4.1780 4.5569 4.5569 4.6519 4.6519 5.1531 5.1531 5.2086 5.2086 5.4743 5.4743 5.6726 5.6726 5.8737 5.8737 5.9141 5.9141 6.5917 6.5917 6.6472 6.6472 8.3078 8.3078 8.3081 8.3081 9.1998 9.1998 9.2132 9.2132 10.2166 10.2166 k =-0.3007 0.7363 0.6285 ( 4066 PWs) bands (ev): 4.1810 4.1810 4.1920 4.1920 4.5519 4.5519 4.6473 4.6473 5.1568 5.1568 5.2075 5.2075 5.4753 5.4753 5.6689 5.6689 5.8589 5.8589 5.8964 5.8964 6.6077 6.6077 6.6637 6.6637 8.2748 8.2748 8.2751 8.2751 9.2269 9.2269 9.2477 9.2477 10.2205 10.2205 k =-0.3069 0.7188 0.6285 ( 4062 PWs) bands (ev): 4.1963 4.1963 4.2070 4.2070 4.5479 4.5479 4.6435 4.6435 5.1608 5.1608 5.2056 5.2056 5.4762 5.4762 5.6627 5.6627 5.8449 5.8449 5.8787 5.8787 6.6236 6.6236 6.6800 6.6800 8.2341 8.2341 8.2354 8.2354 9.2586 9.2586 9.2866 9.2866 10.2267 10.2267 k =-0.3131 0.7014 0.6285 ( 4058 PWs) bands (ev): 4.2127 4.2127 4.2228 4.2228 4.5448 4.5448 4.6405 4.6405 5.1650 5.1650 5.2028 5.2028 5.4771 5.4771 5.6539 5.6539 5.8323 5.8323 5.8614 5.8614 6.6394 6.6394 6.6962 6.6962 8.1860 8.1860 8.1893 8.1893 9.2943 9.2943 9.3295 9.3295 10.2356 10.2356 k =-0.3193 0.6840 0.6285 ( 4074 PWs) bands (ev): 4.2299 4.2299 4.2393 4.2393 4.5427 4.5427 4.6383 4.6383 5.1693 5.1693 5.1984 5.1984 5.4782 5.4782 5.6424 5.6424 5.8215 5.8215 5.8448 5.8448 6.6548 6.6548 6.7123 6.7123 8.1313 8.1313 8.1376 8.1376 9.3335 9.3335 9.3756 9.3756 10.2471 10.2471 k =-0.3256 0.6666 0.6285 ( 4066 PWs) bands (ev): 4.2481 4.2481 4.2565 4.2565 4.5418 4.5418 4.6371 4.6371 5.1733 5.1733 5.1922 5.1922 5.4796 5.4796 5.6285 5.6285 5.8126 5.8126 5.8292 5.8292 6.6699 6.6699 6.7281 6.7281 8.0711 8.0711 8.0812 8.0812 9.3755 9.3755 9.4241 9.4241 10.2612 10.2612 k =-0.3318 0.6491 0.6285 ( 4066 PWs) bands (ev): 4.2671 4.2671 4.2741 4.2741 4.5420 4.5420 4.6367 4.6367 5.1767 5.1767 5.1837 5.1837 5.4817 5.4817 5.6128 5.6128 5.8056 5.8056 5.8149 5.8149 6.6842 6.6842 6.7433 6.7433 8.0066 8.0066 8.0212 8.0212 9.4194 9.4194 9.4743 9.4743 10.2779 10.2779 k =-0.3380 0.6317 0.6285 ( 4074 PWs) bands (ev): 4.2867 4.2867 4.2921 4.2921 4.5432 4.5432 4.6373 4.6373 5.1727 5.1727 5.1792 5.1792 5.4846 5.4846 5.5959 5.5959 5.8001 5.8001 5.8018 5.8018 6.6974 6.6974 6.7577 6.7577 7.9391 7.9391 7.9589 7.9589 9.4645 9.4645 9.5251 9.5251 10.2971 10.2971 k =-0.3443 0.6143 0.6285 ( 4074 PWs) bands (ev): 4.3069 4.3069 4.3102 4.3102 4.5456 4.5456 4.6388 4.6388 5.1591 5.1591 5.1803 5.1803 5.4886 5.4886 5.5790 5.5790 5.7902 5.7902 5.7957 5.7957 6.7088 6.7088 6.7705 6.7705 7.8705 7.8705 7.8957 7.8957 9.5096 9.5096 9.5754 9.5754 10.3189 10.3189 k =-0.3505 0.5969 0.6285 ( 4082 PWs) bands (ev): 4.3276 4.3276 4.3285 4.3285 4.5491 4.5491 4.6412 4.6412 5.1429 5.1429 5.1797 5.1797 5.4936 5.4936 5.5629 5.5629 5.7799 5.7799 5.7922 5.7922 6.7177 6.7177 6.7810 6.7810 7.8023 7.8023 7.8333 7.8333 9.5540 9.5540 9.6242 9.6242 10.3433 10.3433 k =-0.3567 0.5795 0.6285 ( 4094 PWs) bands (ev): 4.3467 4.3467 4.3486 4.3486 4.5537 4.5537 4.6446 4.6446 5.1243 5.1243 5.1770 5.1770 5.4997 5.4997 5.5482 5.5482 5.7709 5.7709 5.7892 5.7892 6.7231 6.7231 6.7880 6.7880 7.7367 7.7367 7.7735 7.7735 9.5966 9.5966 9.6701 9.6701 10.3704 10.3704 k =-0.3630 0.5620 0.6285 ( 4086 PWs) bands (ev): 4.3647 4.3647 4.3700 4.3700 4.5593 4.5593 4.6488 4.6488 5.1036 5.1036 5.1718 5.1718 5.5067 5.5067 5.5359 5.5359 5.7632 5.7632 5.7865 5.7865 6.7237 6.7237 6.7900 6.7900 7.6760 7.6760 7.7182 7.7182 9.6366 9.6366 9.7120 9.7120 10.4003 10.4003 k =-0.3692 0.5446 0.6285 ( 4078 PWs) bands (ev): 4.3826 4.3826 4.3915 4.3915 4.5658 4.5658 4.6539 4.6539 5.0811 5.0811 5.1642 5.1642 5.5145 5.5145 5.5261 5.5261 5.7566 5.7566 5.7841 5.7841 6.7180 6.7180 6.7853 6.7853 7.6228 7.6228 7.6697 7.6697 9.6731 9.6731 9.7488 9.7488 10.4318 10.4318 k =-0.3754 0.5272 0.6285 ( 4078 PWs) bands (ev): 4.4000 4.4000 4.4131 4.4131 4.5732 4.5732 4.6597 4.6597 5.0574 5.0574 5.1541 5.1541 5.5191 5.5191 5.5227 5.5227 5.7510 5.7510 5.7818 5.7818 6.7049 6.7049 6.7721 6.7721 7.5795 7.5795 7.6299 7.6299 9.7055 9.7055 9.7798 9.7798 10.4673 10.4673 k =-0.3816 0.5098 0.6285 ( 4082 PWs) bands (ev): 4.4171 4.4171 4.4347 4.4347 4.5812 4.5812 4.6663 4.6663 5.0328 5.0328 5.1418 5.1418 5.5147 5.5147 5.5312 5.5312 5.7464 5.7464 5.7796 5.7796 6.6833 6.6833 6.7489 6.7489 7.5481 7.5481 7.6003 7.6003 9.7335 9.7335 9.8047 9.8047 10.5033 10.5033 k =-0.3879 0.4924 0.6285 ( 4078 PWs) bands (ev): 4.4337 4.4337 4.4560 4.4560 4.5899 4.5899 4.6737 4.6737 5.0077 5.0077 5.1278 5.1278 5.5128 5.5128 5.5397 5.5397 5.7428 5.7428 5.7776 5.7776 6.6527 6.6527 6.7152 6.7152 7.5296 7.5296 7.5817 7.5817 9.7568 9.7568 9.8237 9.8237 10.5397 10.5397 k =-0.3941 0.4749 0.6285 ( 4082 PWs) bands (ev): 4.4498 4.4498 4.4770 4.4770 4.5991 4.5991 4.6817 4.6817 4.9827 4.9827 5.1126 5.1126 5.5129 5.5129 5.5479 5.5479 5.7401 5.7401 5.7756 5.7756 6.6137 6.6137 6.6718 6.6718 7.5237 7.5237 7.5742 7.5742 9.7757 9.7757 9.8371 9.8371 10.5748 10.5748 k =-0.4003 0.4575 0.6285 ( 4082 PWs) bands (ev): 4.4652 4.4652 4.4975 4.4975 4.6086 4.6086 4.6903 4.6903 4.9580 4.9580 5.0968 5.0968 5.5145 5.5145 5.5554 5.5554 5.7384 5.7384 5.7738 5.7738 6.5674 6.5674 6.6202 6.6202 7.5292 7.5292 7.5770 7.5770 9.7903 9.7903 9.8459 9.8459 10.6065 10.6065 k =-0.4066 0.4401 0.6285 ( 4086 PWs) bands (ev): 4.4800 4.4800 4.5173 4.5173 4.6182 4.6182 4.6995 4.6995 4.9343 4.9343 5.0809 5.0809 5.5173 5.5173 5.5622 5.5622 5.7377 5.7377 5.7723 5.7723 6.5153 6.5153 6.5624 6.5624 7.5443 7.5443 7.5887 7.5887 9.8013 9.8013 9.8508 9.8508 10.6326 10.6326 k =-0.4128 0.4227 0.6285 ( 4086 PWs) bands (ev): 4.4939 4.4939 4.5360 4.5360 4.6279 4.6279 4.7090 4.7090 4.9119 4.9119 5.0656 5.0656 5.5208 5.5208 5.5679 5.5679 5.7381 5.7381 5.7710 5.7710 6.4591 6.4591 6.5007 6.5007 7.5670 7.5670 7.6079 7.6079 9.8091 9.8091 9.8527 9.8527 10.6509 10.6509 k =-0.4190 0.4053 0.6285 ( 4082 PWs) bands (ev): 4.5070 4.5070 4.5535 4.5535 4.6376 4.6376 4.7186 4.7186 4.8915 4.8915 5.0511 5.0511 5.5246 5.5246 5.5725 5.5725 5.7395 5.7395 5.7701 5.7701 6.4004 6.4004 6.4367 6.4367 7.5955 7.5955 7.6329 7.6329 9.8144 9.8144 9.8525 9.8525 10.6600 10.6600 k =-0.4252 0.3878 0.6285 ( 4082 PWs) bands (ev): 4.5192 4.5192 4.5695 4.5695 4.6471 4.6471 4.7277 4.7277 4.8741 4.8741 5.0379 5.0379 5.5286 5.5286 5.5759 5.5759 5.7419 5.7419 5.7695 5.7695 6.3408 6.3408 6.3721 6.3721 7.6283 7.6283 7.6623 7.6623 9.8177 9.8177 9.8508 9.8508 10.6591 10.6591 k =-0.4315 0.3704 0.6285 ( 4074 PWs) bands (ev): 4.5303 4.5303 4.5836 4.5836 4.6563 4.6563 4.7354 4.7354 4.8609 4.8609 5.0263 5.0263 5.5325 5.5325 5.5781 5.5781 5.7451 5.7451 5.7692 5.7692 6.2814 6.2814 6.3082 6.3082 7.6640 7.6640 7.6947 7.6947 9.8197 9.8197 9.8482 9.8482 10.6484 10.6484 k =-0.4377 0.3530 0.6285 ( 4078 PWs) bands (ev): 4.5403 4.5403 4.5956 4.5956 4.6651 4.6651 4.7401 4.7401 4.8535 4.8535 5.0164 5.0164 5.5362 5.5362 5.5793 5.5793 5.7490 5.7490 5.7693 5.7693 6.2235 6.2235 6.2460 6.2460 7.7014 7.7014 7.7291 7.7291 9.8209 9.8209 9.8453 9.8453 10.6291 10.6291 k =-0.4439 0.3356 0.6285 ( 4074 PWs) bands (ev): 4.5493 4.5493 4.6052 4.6052 4.6734 4.6734 4.7410 4.7410 4.8531 4.8531 5.0083 5.0083 5.5395 5.5395 5.5795 5.5795 5.7533 5.7533 5.7698 5.7698 6.1679 6.1679 6.1865 6.1865 7.7394 7.7394 7.7642 7.7642 9.8217 9.8217 9.8426 9.8426 10.6028 10.6028 k =-0.4502 0.3182 0.6285 ( 4074 PWs) bands (ev): 4.5571 4.5571 4.6124 4.6124 4.6810 4.6810 4.7383 4.7383 4.8593 4.8593 5.0019 5.0019 5.5426 5.5426 5.5789 5.5789 5.7579 5.7579 5.7705 5.7705 6.1155 6.1155 6.1304 6.1304 7.7770 7.7770 7.7990 7.7990 9.8225 9.8225 9.8404 9.8404 10.5714 10.5714 k =-0.4564 0.3007 0.6285 ( 4078 PWs) bands (ev): 4.5640 4.5640 4.6170 4.6170 4.6880 4.6880 4.7337 4.7337 4.8703 4.8703 4.9971 4.9971 5.5453 5.5453 5.5777 5.5777 5.7625 5.7625 5.7713 5.7713 6.0670 6.0670 6.0785 6.0785 7.8133 7.8133 7.8325 7.8325 9.8238 9.8238 9.8389 9.8389 10.5370 10.5370 k =-0.4626 0.2833 0.6285 ( 4078 PWs) bands (ev): 4.5701 4.5701 4.6191 4.6191 4.6941 4.6941 4.7288 4.7288 4.8843 4.8843 4.9934 4.9934 5.5477 5.5477 5.5760 5.5760 5.7670 5.7670 5.7723 5.7723 6.0232 6.0232 6.0314 6.0314 7.8472 7.8472 7.8638 7.8638 9.8255 9.8255 9.8381 9.8381 10.5017 10.5017 k =-0.4689 0.2659 0.6285 ( 4070 PWs) bands (ev): 4.5756 4.5756 4.6188 4.6188 4.6994 4.6994 4.7246 4.7246 4.8997 4.8997 4.9905 4.9905 5.5500 5.5500 5.5740 5.5740 5.7711 5.7711 5.7734 5.7734 5.9847 5.9847 5.9899 5.9899 7.8780 7.8780 7.8919 7.8919 9.8278 9.8278 9.8382 9.8382 10.4675 10.4675 k =-0.4751 0.2485 0.6285 ( 4066 PWs) bands (ev): 4.5806 4.5806 4.6167 4.6167 4.7038 4.7038 4.7214 4.7214 4.9154 4.9154 4.9878 4.9878 5.5522 5.5522 5.5717 5.5717 5.7745 5.7745 5.7746 5.7746 5.9521 5.9521 5.9547 5.9547 7.9048 7.9048 7.9159 7.9159 9.8306 9.8306 9.8389 9.8389 10.4363 10.4363 k =-0.4813 0.2311 0.6285 ( 4074 PWs) bands (ev): 4.5853 4.5853 4.6132 4.6132 4.7075 4.7075 4.7191 4.7191 4.9304 4.9304 4.9845 4.9845 5.5543 5.5543 5.5692 5.5692 5.7757 5.7757 5.7773 5.7773 5.9259 5.9259 5.9265 5.9265 7.9268 7.9268 7.9352 7.9352 9.8337 9.8337 9.8399 9.8399 10.4100 10.4100 k =-0.4875 0.2136 0.6285 ( 4074 PWs) bands (ev): 4.5899 4.5899 4.6088 4.6088 4.7104 4.7104 4.7174 4.7174 4.9442 4.9442 4.9802 4.9802 5.5566 5.5566 5.5666 5.5666 5.7769 5.7769 5.7790 5.7790 5.9060 5.9060 5.9066 5.9066 7.9435 7.9435 7.9491 7.9491 9.8366 9.8366 9.8408 9.8408 10.3901 10.3901 k =-0.4938 0.1962 0.6285 ( 4068 PWs) bands (ev): 4.5946 4.5946 4.6041 4.6041 4.7127 4.7127 4.7160 4.7160 4.9563 4.9563 4.9743 4.9743 5.5589 5.5589 5.5640 5.5640 5.7782 5.7782 5.7796 5.7796 5.8938 5.8938 5.8945 5.8945 7.9542 7.9542 7.9570 7.9570 9.8390 9.8390 9.8411 9.8411 10.3780 10.3780 k =-0.5000 0.1788 0.6285 ( 4064 PWs) bands (ev): 4.5993 4.5993 4.5993 4.5993 4.7145 4.7145 4.7145 4.7145 4.9664 4.9664 4.9664 4.9664 5.5614 5.5614 5.5614 5.5614 5.7792 5.7792 5.7792 5.7792 5.8901 5.8901 5.8901 5.8901 7.9588 7.9588 7.9588 7.9588 9.8406 9.8406 9.8406 9.8406 10.3748 10.3748 k =-0.5000 0.1788 0.6285 ( 4064 PWs) bands (ev): 4.5993 4.5993 4.5993 4.5993 4.7145 4.7145 4.7145 4.7145 4.9664 4.9664 4.9664 4.9664 5.5614 5.5614 5.5614 5.5614 5.7792 5.7792 5.7792 5.7792 5.8901 5.8901 5.8901 5.8901 7.9588 7.9588 7.9588 7.9588 9.8406 9.8406 9.8406 9.8406 10.3748 10.3748 k =-0.5000 0.1788 0.6101 ( 4060 PWs) bands (ev): 4.5771 4.5771 4.6173 4.6173 4.7081 4.7081 4.7224 4.7224 4.9578 4.9578 4.9758 4.9758 5.5322 5.5322 5.5880 5.5880 5.7485 5.7485 5.7966 5.7966 5.8572 5.8572 5.9350 5.9350 7.9426 7.9426 7.9748 7.9748 9.8144 9.8144 9.8669 9.8669 10.3590 10.3590 k =-0.5000 0.1788 0.5916 ( 4060 PWs) bands (ev): 4.5528 4.5528 4.6275 4.6275 4.7048 4.7048 4.7315 4.7315 4.9502 4.9502 4.9857 4.9857 5.5011 5.5011 5.6102 5.6102 5.7128 5.7128 5.7804 5.7804 5.8602 5.8602 5.9815 5.9815 7.9271 7.9271 7.9902 7.9902 9.7883 9.7883 9.8932 9.8932 10.3494 10.3494 k =-0.5000 0.1788 0.5731 ( 4060 PWs) bands (ev): 4.5275 4.5275 4.6270 4.6270 4.7054 4.7054 4.7424 4.7424 4.9438 4.9438 4.9958 4.9958 5.4686 5.4686 5.6236 5.6236 5.6747 5.6747 5.7542 5.7542 5.8802 5.8802 6.0262 6.0262 7.9132 7.9132 8.0046 8.0046 9.7622 9.7622 9.9198 9.9198 10.3462 10.3462 k =-0.5000 0.1788 0.5546 ( 4064 PWs) bands (ev): 4.5020 4.5020 4.6170 4.6170 4.7075 4.7075 4.7559 4.7559 4.9385 4.9385 5.0055 5.0055 5.4348 5.4348 5.6161 5.6161 5.6414 5.6414 5.7410 5.7410 5.9010 5.9010 6.0672 6.0672 7.9023 7.9023 8.0178 8.0178 9.7362 9.7362 9.9466 9.9466 10.3497 10.3497 k =-0.5000 0.1788 0.5361 ( 4072 PWs) bands (ev): 4.4766 4.4766 4.6007 4.6007 4.7082 4.7082 4.7708 4.7708 4.9343 4.9343 5.0143 5.0143 5.4001 5.4001 5.5833 5.5833 5.6182 5.6182 5.7448 5.7448 5.9198 5.9198 6.1030 6.1030 7.8954 7.8954 8.0301 8.0301 9.7103 9.7103 9.9737 9.9737 10.3600 10.3600 k =-0.5000 0.1788 0.5176 ( 4078 PWs) bands (ev): 4.4516 4.4516 4.5800 4.5800 4.7069 4.7069 4.7854 4.7854 4.9308 4.9308 5.0214 5.0214 5.3648 5.3648 5.5466 5.5466 5.5933 5.5933 5.7582 5.7582 5.9359 5.9359 6.1324 6.1324 7.8940 7.8940 8.0415 8.0415 9.6845 9.6845 10.0012 10.0012 10.3771 10.3771 k =-0.5000 0.1788 0.4991 ( 4082 PWs) bands (ev): 4.4273 4.4273 4.5561 4.5561 4.7037 4.7037 4.7979 4.7979 4.9280 4.9280 5.0257 5.0257 5.3293 5.3293 5.5133 5.5133 5.5680 5.5680 5.7748 5.7748 5.9490 5.9490 6.1544 6.1544 7.8992 7.8992 8.0525 8.0525 9.6587 9.6587 10.0292 10.0292 10.4010 10.4010 k =-0.5000 0.1788 0.4807 ( 4082 PWs) bands (ev): 4.4039 4.4039 4.5293 4.5293 4.6990 4.6990 4.8072 4.8072 4.9254 4.9254 5.0262 5.0262 5.2942 5.2942 5.4853 5.4853 5.5449 5.5449 5.7919 5.7919 5.9592 5.9592 6.1687 6.1687 7.9118 7.9118 8.0633 8.0633 9.6330 9.6330 10.0577 10.0577 10.4315 10.4315 k =-0.5000 0.1788 0.4622 ( 4080 PWs) bands (ev): 4.3813 4.3813 4.5000 4.5000 4.6933 4.6933 4.8123 4.8123 4.9226 4.9226 5.0218 5.0218 5.2599 5.2599 5.4636 5.4636 5.5256 5.5256 5.8082 5.8082 5.9667 5.9667 6.1749 6.1749 7.9324 7.9324 8.0745 8.0745 9.6075 9.6075 10.0866 10.0866 10.4684 10.4684 k =-0.5000 0.1788 0.4437 ( 4080 PWs) bands (ev): 4.3599 4.3599 4.4685 4.4685 4.6866 4.6866 4.8128 4.8128 4.9191 4.9191 5.0122 5.0122 5.2266 5.2266 5.4488 5.4488 5.5115 5.5115 5.8230 5.8230 5.9717 5.9717 6.1736 6.1736 7.9610 7.9610 8.0865 8.0865 9.5820 9.5820 10.1160 10.1160 10.5113 10.5113 k =-0.5000 0.1788 0.4252 ( 4084 PWs) bands (ev): 4.3396 4.3396 4.4352 4.4352 4.6793 4.6793 4.8084 4.8084 4.9139 4.9139 4.9981 4.9981 5.1939 5.1939 5.4405 5.4405 5.5034 5.5034 5.8358 5.8358 5.9747 5.9747 6.1652 6.1652 7.9972 7.9972 8.0997 8.0997 9.5566 9.5566 10.1457 10.1457 10.5597 10.5597 k =-0.5000 0.1788 0.4067 ( 4088 PWs) bands (ev): 4.3204 4.3204 4.4003 4.4003 4.6713 4.6713 4.7994 4.7994 4.9057 4.9057 4.9817 4.9817 5.1613 5.1613 5.4377 5.4377 5.5021 5.5021 5.8460 5.8460 5.9764 5.9764 6.1510 6.1510 8.0403 8.0403 8.1146 8.1146 9.5314 9.5314 10.1756 10.1756 10.6127 10.6127 k =-0.5000 0.1788 0.3882 ( 4094 PWs) bands (ev): 4.3026 4.3026 4.3641 4.3641 4.6627 4.6627 4.7864 4.7864 4.8932 4.8932 4.9654 4.9654 5.1284 5.1284 5.4385 5.4385 5.5080 5.5080 5.8531 5.8531 5.9778 5.9778 6.1320 6.1320 8.0882 8.0882 8.1328 8.1328 9.5063 9.5063 10.2052 10.2052 10.6694 10.6694 k =-0.5000 0.1788 0.3697 ( 4082 PWs) bands (ev): 4.2861 4.2861 4.3271 4.3271 4.6533 4.6533 4.7699 4.7699 4.8758 4.8758 4.9511 4.9511 5.0953 5.0953 5.4415 5.4415 5.5206 5.5206 5.8563 5.8563 5.9796 5.9796 6.1097 6.1097 8.1321 8.1321 8.1623 8.1623 9.4814 9.4814 10.2344 10.2344 10.7285 10.7285 k =-0.5000 0.1788 0.3512 ( 4086 PWs) bands (ev): 4.2709 4.2709 4.2896 4.2896 4.6429 4.6429 4.7505 4.7505 4.8551 4.8551 4.9386 4.9386 5.0620 5.0620 5.4461 5.4461 5.5387 5.5387 5.8555 5.8555 5.9824 5.9824 6.0854 6.0854 8.1594 8.1594 8.2149 8.2149 9.4567 9.4567 10.2624 10.2624 10.7883 10.7883 k =-0.5000 0.1788 0.3328 ( 4086 PWs) bands (ev): 4.2513 4.2513 4.2578 4.2578 4.6313 4.6313 4.7286 4.7286 4.8332 4.8332 4.9268 4.9268 5.0291 5.0291 5.4517 5.4517 5.5606 5.5606 5.8507 5.8507 5.9863 5.9863 6.0607 6.0607 8.1825 8.1825 8.2773 8.2773 9.4323 9.4323 10.2888 10.2888 10.8469 10.8469 k =-0.5000 0.1788 0.3143 ( 4084 PWs) bands (ev): 4.2143 4.2143 4.2451 4.2451 4.6183 4.6183 4.7048 4.7048 4.8119 4.8119 4.9146 4.9146 4.9968 4.9968 5.4582 5.4582 5.5850 5.5850 5.8428 5.8428 5.9897 5.9897 6.0378 6.0378 8.2063 8.2063 8.3438 8.3438 9.4083 9.4083 10.3129 10.3129 10.9020 10.9020 k =-0.5000 0.1788 0.2958 ( 4092 PWs) bands (ev): 4.1774 4.1774 4.2342 4.2342 4.6038 4.6038 4.6795 4.6795 4.7925 4.7925 4.9014 4.9014 4.9655 4.9655 5.4654 5.4654 5.6104 5.6104 5.8326 5.8326 5.9877 5.9877 6.0224 6.0224 8.2316 8.2316 8.4126 8.4126 9.3847 9.3847 10.3337 10.3337 10.9513 10.9513 k =-0.5000 0.1788 0.2773 ( 4100 PWs) bands (ev): 4.1415 4.1415 4.2248 4.2248 4.5877 4.5877 4.6532 4.6532 4.7752 4.7752 4.8870 4.8870 4.9358 4.9358 5.4728 5.4728 5.6354 5.6354 5.8218 5.8218 5.9741 5.9741 6.0208 6.0208 8.2584 8.2584 8.4831 8.4831 9.3617 9.3617 10.3506 10.3506 10.9926 10.9926 k =-0.5000 0.1788 0.2588 ( 4096 PWs) bands (ev): 4.1067 4.1067 4.2168 4.2168 4.5704 4.5704 4.6264 4.6264 4.7598 4.7598 4.8715 4.8715 4.9081 4.9081 5.4802 5.4802 5.6581 5.6581 5.8121 5.8121 5.9557 5.9557 6.0264 6.0264 8.2866 8.2866 8.5543 8.5543 9.3395 9.3395 10.3628 10.3628 10.9580 10.9580 k =-0.5000 0.1788 0.2403 ( 4104 PWs) bands (ev): 4.0733 4.0733 4.2103 4.2103 4.5522 4.5522 4.5996 4.5996 4.7454 4.7454 4.8551 4.8551 4.8831 4.8831 5.4872 5.4872 5.6758 5.6758 5.8064 5.8064 5.9379 5.9379 6.0338 6.0338 8.3160 8.3160 8.6258 8.6258 9.3180 9.3180 10.3694 10.3694 10.8970 10.8970 k =-0.5000 0.1788 0.2218 ( 4098 PWs) bands (ev): 4.0416 4.0416 4.2051 4.2051 4.5336 4.5336 4.5733 4.5733 4.7311 4.7311 4.8382 4.8382 4.8615 4.8615 5.4936 5.4936 5.6854 5.6854 5.8080 5.8080 5.9222 5.9222 6.0416 6.0416 8.3463 8.3463 8.6969 8.6969 9.2976 9.2976 10.3701 10.3701 10.8351 10.8351 k =-0.5000 0.1788 0.2034 ( 4090 PWs) bands (ev): 4.0117 4.0117 4.2013 4.2013 4.5151 4.5151 4.5478 4.5478 4.7158 4.7158 4.8213 4.8213 4.8437 4.8437 5.4990 5.4990 5.6862 5.6862 5.8176 5.8176 5.9090 5.9090 6.0493 6.0493 8.3771 8.3771 8.7673 8.7673 9.2783 9.2783 10.3647 10.3647 10.7736 10.7736 k =-0.5000 0.1788 0.1849 ( 4090 PWs) bands (ev): 3.9839 3.9839 4.1988 4.1988 4.4970 4.4970 4.5235 4.5235 4.6990 4.6990 4.8045 4.8045 4.8303 4.8303 5.5031 5.5031 5.6805 5.6805 5.8326 5.8326 5.8990 5.8990 6.0567 6.0567 8.4082 8.4082 8.8363 8.8363 9.2604 9.2604 10.3533 10.3533 10.7132 10.7132 k =-0.5000 0.1788 0.1664 ( 4094 PWs) bands (ev): 3.9583 3.9583 4.1975 4.1975 4.4798 4.4798 4.5007 4.5007 4.6808 4.6808 4.7881 4.7881 4.8212 4.8212 5.5056 5.5056 5.6721 5.6721 5.8479 5.8479 5.8938 5.8938 6.0635 6.0635 8.4389 8.4389 8.9034 8.9034 9.2441 9.2441 10.3363 10.3363 10.6550 10.6550 k =-0.5000 0.1788 0.1479 ( 4098 PWs) bands (ev): 3.9351 3.9351 4.1973 4.1973 4.4637 4.4637 4.4795 4.4795 4.6617 4.6617 4.7724 4.7724 4.8157 4.8157 5.5062 5.5062 5.6632 5.6632 5.8572 5.8572 5.8972 5.8972 6.0695 6.0695 8.4688 8.4688 8.9680 8.9680 9.2295 9.2295 10.3144 10.3144 10.5997 10.5997 k =-0.5000 0.1788 0.1294 ( 4098 PWs) bands (ev): 3.9143 3.9143 4.1981 4.1981 4.4490 4.4490 4.4604 4.4604 4.6426 4.6426 4.7577 4.7577 4.8129 4.8129 5.5050 5.5050 5.6554 5.6554 5.8583 5.8583 5.9098 5.9098 6.0747 6.0747 8.4972 8.4972 9.0292 9.0292 9.2169 9.2169 10.2888 10.2888 10.5482 10.5482 k =-0.5000 0.1788 0.1109 ( 4092 PWs) bands (ev): 3.8961 3.8961 4.1996 4.1996 4.4358 4.4358 4.4434 4.4434 4.6244 4.6244 4.7446 4.7446 4.8118 4.8118 5.5022 5.5022 5.6492 5.6492 5.8562 5.8562 5.9258 5.9258 6.0791 6.0791 8.5237 8.5237 9.0859 9.0859 9.2068 9.2068 10.2607 10.2607 10.5014 10.5014 k =-0.5000 0.1788 0.0924 ( 4084 PWs) bands (ev): 3.8806 3.8806 4.2017 4.2017 4.4240 4.4240 4.4289 4.4289 4.6076 4.6076 4.7330 4.7330 4.8119 4.8119 5.4982 5.4982 5.6447 5.6447 5.8537 5.8537 5.9414 5.9414 6.0825 6.0825 8.5474 8.5474 9.1354 9.1354 9.2007 9.2007 10.2318 10.2318 10.4599 10.4599 k =-0.5000 0.1788 0.0739 ( 4080 PWs) bands (ev): 3.8678 3.8678 4.2040 4.2040 4.4134 4.4134 4.4176 4.4176 4.5929 4.5929 4.7234 4.7234 4.8126 4.8126 5.4937 5.4937 5.6418 5.6418 5.8514 5.8514 5.9554 5.9554 6.0851 6.0851 8.5679 8.5679 9.1676 9.1676 9.2076 9.2076 10.2039 10.2039 10.4246 10.4246 k =-0.5000 0.1788 0.0555 ( 4080 PWs) bands (ev): 3.8578 3.8578 4.2063 4.2063 4.4041 4.4041 4.4095 4.4095 4.5809 4.5809 4.7157 4.7157 4.8135 4.8135 5.4894 5.4894 5.6400 5.6400 5.8497 5.8497 5.9670 5.9670 6.0868 6.0868 8.5845 8.5845 9.1733 9.1733 9.2351 9.2351 10.1791 10.1791 10.3962 10.3962 k =-0.5000 0.1788 0.0370 ( 4080 PWs) bands (ev): 3.8506 3.8506 4.2082 4.2082 4.3971 4.3971 4.4039 4.4039 4.5720 4.5720 4.7102 4.7102 4.8144 4.8144 5.4858 5.4858 5.6389 5.6389 5.8485 5.8485 5.9756 5.9756 6.0879 6.0879 8.5967 8.5967 9.1719 9.1719 9.2620 9.2620 10.1594 10.1594 10.3753 10.3753 k =-0.5000 0.1788 0.0185 ( 4076 PWs) bands (ev): 3.8463 3.8463 4.2095 4.2095 4.3927 4.3927 4.4006 4.4006 4.5665 4.5665 4.7069 4.7069 4.8150 4.8150 5.4835 5.4835 5.6384 5.6384 5.8478 5.8478 5.9810 5.9810 6.0885 6.0885 8.6042 8.6042 9.1705 9.1705 9.2796 9.2796 10.1467 10.1467 10.3625 10.3625 k =-0.5000 0.1788-0.0000 ( 4076 PWs) bands (ev): 3.8448 3.8448 4.2100 4.2100 4.3913 4.3913 4.3995 4.3995 4.5646 4.5646 4.7057 4.7057 4.8152 4.8152 5.4827 5.4827 5.6383 5.6383 5.8476 5.8476 5.9828 5.9828 6.0887 6.0887 8.6067 8.6067 9.1700 9.1700 9.2857 9.2857 10.1423 10.1423 10.3582 10.3582 k = 0.0000 0.0000 0.6285 ( 4120 PWs) bands (ev): 4.4451 4.4451 4.4451 4.4451 4.7921 4.7921 4.7921 4.7921 4.9069 4.9069 4.9069 4.9069 5.1881 5.1881 5.1881 5.1881 5.8346 5.8346 5.8346 5.8346 6.3646 6.3646 6.3646 6.3646 8.4119 8.4119 8.4119 8.4119 9.2498 9.2498 9.2498 9.2498 9.4748 9.4748 k =-0.0172 0.0062 0.6285 ( 4116 PWs) bands (ev): 4.4453 4.4453 4.4453 4.4453 4.7923 4.7923 4.7923 4.7923 4.9078 4.9078 4.9078 4.9078 5.1877 5.1877 5.1877 5.1877 5.8343 5.8343 5.8343 5.8343 6.3638 6.3638 6.3638 6.3638 8.4116 8.4116 8.4116 8.4116 9.2524 9.2524 9.2524 9.2524 9.4744 9.4744 k =-0.0345 0.0123 0.6285 ( 4116 PWs) bands (ev): 4.4460 4.4460 4.4460 4.4460 4.7927 4.7927 4.7927 4.7927 4.9105 4.9105 4.9105 4.9105 5.1864 5.1864 5.1864 5.1864 5.8334 5.8334 5.8334 5.8334 6.3611 6.3611 6.3611 6.3611 8.4104 8.4104 8.4104 8.4104 9.2603 9.2603 9.2603 9.2603 9.4732 9.4732 k =-0.0517 0.0185 0.6285 ( 4112 PWs) bands (ev): 4.4473 4.4473 4.4473 4.4473 4.7931 4.7931 4.7931 4.7931 4.9151 4.9151 4.9151 4.9151 5.1843 5.1843 5.1843 5.1843 5.8320 5.8320 5.8320 5.8320 6.3568 6.3568 6.3568 6.3568 8.4083 8.4083 8.4083 8.4083 9.2733 9.2733 9.2733 9.2733 9.4714 9.4714 k =-0.0690 0.0247 0.6285 ( 4120 PWs) bands (ev): 4.4490 4.4490 4.4490 4.4490 4.7933 4.7933 4.7933 4.7933 4.9219 4.9219 4.9219 4.9219 5.1816 5.1816 5.1816 5.1816 5.8301 5.8301 5.8301 5.8301 6.3508 6.3508 6.3508 6.3508 8.4051 8.4051 8.4051 8.4051 9.2913 9.2913 9.2913 9.2913 9.4694 9.4694 k =-0.0862 0.0308 0.6285 ( 4112 PWs) bands (ev): 4.4514 4.4514 4.4514 4.4514 4.7929 4.7929 4.7929 4.7929 4.9308 4.9308 4.9308 4.9308 5.1784 5.1784 5.1784 5.1784 5.8277 5.8277 5.8277 5.8277 6.3430 6.3430 6.3430 6.3430 8.4005 8.4005 8.4005 8.4005 9.3142 9.3142 9.3142 9.3142 9.4676 9.4676 k =-0.1034 0.0370 0.6285 ( 4116 PWs) bands (ev): 4.4544 4.4544 4.4544 4.4544 4.7918 4.7918 4.7918 4.7918 4.9418 4.9418 4.9418 4.9418 5.1748 5.1748 5.1748 5.1748 5.8248 5.8248 5.8248 5.8248 6.3336 6.3336 6.3336 6.3336 8.3943 8.3943 8.3943 8.3943 9.3419 9.3419 9.3419 9.3419 9.4666 9.4666 k =-0.1207 0.0432 0.6285 ( 4116 PWs) bands (ev): 4.4581 4.4581 4.4581 4.4581 4.7899 4.7899 4.7899 4.7899 4.9546 4.9546 4.9546 4.9546 5.1713 5.1713 5.1713 5.1713 5.8217 5.8217 5.8217 5.8217 6.3226 6.3226 6.3226 6.3226 8.3862 8.3862 8.3862 8.3862 9.3738 9.3738 9.3738 9.3738 9.4671 9.4671 k =-0.1379 0.0493 0.6285 ( 4120 PWs) bands (ev): 4.4625 4.4625 4.4625 4.4625 4.7871 4.7871 4.7871 4.7871 4.9688 4.9688 4.9688 4.9688 5.1683 5.1683 5.1683 5.1683 5.8182 5.8182 5.8182 5.8182 6.3100 6.3100 6.3100 6.3100 8.3758 8.3758 8.3758 8.3758 9.4096 9.4096 9.4096 9.4096 9.4699 9.4699 k =-0.1552 0.0555 0.6285 ( 4122 PWs) bands (ev): 4.4677 4.4677 4.4677 4.4677 4.7835 4.7835 4.7835 4.7835 4.9836 4.9836 4.9836 4.9836 5.1665 5.1665 5.1665 5.1665 5.8145 5.8145 5.8145 5.8145 6.2958 6.2958 6.2958 6.2958 8.3629 8.3629 8.3629 8.3629 9.4471 9.4471 9.4471 9.4471 9.4772 9.4772 k =-0.1724 0.0617 0.6285 ( 4126 PWs) bands (ev): 4.4737 4.4737 4.4737 4.4737 4.7792 4.7792 4.7792 4.7792 4.9979 4.9979 4.9979 4.9979 5.1668 5.1668 5.1668 5.1668 5.8107 5.8107 5.8107 5.8107 6.2802 6.2802 6.2802 6.2802 8.3475 8.3475 8.3475 8.3475 9.4729 9.4729 9.4729 9.4729 9.5026 9.5026 k =-0.1897 0.0678 0.6285 ( 4122 PWs) bands (ev): 4.4805 4.4805 4.4805 4.4805 4.7744 4.7744 4.7744 4.7744 5.0105 5.0105 5.0105 5.0105 5.1704 5.1704 5.1704 5.1704 5.8068 5.8068 5.8068 5.8068 6.2631 6.2631 6.2631 6.2631 8.3295 8.3295 8.3295 8.3295 9.4860 9.4860 9.4860 9.4860 9.5471 9.5471 k =-0.2069 0.0740 0.6285 ( 4122 PWs) bands (ev): 4.4879 4.4879 4.4879 4.4879 4.7691 4.7691 4.7691 4.7691 5.0199 5.0199 5.0199 5.0199 5.1785 5.1785 5.1785 5.1785 5.8029 5.8029 5.8029 5.8029 6.2447 6.2447 6.2447 6.2447 8.3090 8.3090 8.3090 8.3090 9.4998 9.4998 9.4998 9.4998 9.5970 9.5970 k =-0.2241 0.0802 0.6285 ( 4122 PWs) bands (ev): 4.4960 4.4960 4.4960 4.4960 4.7636 4.7636 4.7636 4.7636 5.0254 5.0254 5.0254 5.0254 5.1919 5.1919 5.1919 5.1919 5.7991 5.7991 5.7991 5.7991 6.2250 6.2250 6.2250 6.2250 8.2861 8.2861 8.2861 8.2861 9.5161 9.5161 9.5161 9.5161 9.6500 9.6500 k =-0.2414 0.0863 0.6285 ( 4122 PWs) bands (ev): 4.5046 4.5046 4.5046 4.5046 4.7578 4.7578 4.7578 4.7578 5.0270 5.0270 5.0270 5.0270 5.2103 5.2103 5.2103 5.2103 5.7953 5.7953 5.7953 5.7953 6.2041 6.2041 6.2041 6.2041 8.2613 8.2613 8.2613 8.2613 9.5352 9.5352 9.5352 9.5352 9.7054 9.7054 k =-0.2586 0.0925 0.6285 ( 4108 PWs) bands (ev): 4.5136 4.5136 4.5136 4.5136 4.7521 4.7521 4.7521 4.7521 5.0254 5.0254 5.0254 5.0254 5.2329 5.2329 5.2329 5.2329 5.7917 5.7917 5.7917 5.7917 6.1822 6.1822 6.1822 6.1822 8.2348 8.2348 8.2348 8.2348 9.5568 9.5568 9.5568 9.5568 9.7628 9.7628 k =-0.2759 0.0986 0.6285 ( 4104 PWs) bands (ev): 4.5230 4.5230 4.5230 4.5230 4.7464 4.7464 4.7464 4.7464 5.0217 5.0217 5.0217 5.0217 5.2585 5.2585 5.2585 5.2585 5.7883 5.7883 5.7883 5.7883 6.1593 6.1593 6.1593 6.1593 8.2072 8.2072 8.2072 8.2072 9.5806 9.5806 9.5806 9.5806 9.8214 9.8214 k =-0.2931 0.1048 0.6285 ( 4110 PWs) bands (ev): 4.5325 4.5325 4.5325 4.5325 4.7410 4.7410 4.7410 4.7410 5.0165 5.0165 5.0165 5.0165 5.2864 5.2864 5.2864 5.2864 5.7851 5.7851 5.7851 5.7851 6.1356 6.1356 6.1356 6.1356 8.1789 8.1789 8.1789 8.1789 9.6062 9.6062 9.6062 9.6062 9.8809 9.8809 k =-0.3103 0.1110 0.6285 ( 4098 PWs) bands (ev): 4.5419 4.5419 4.5419 4.5419 4.7359 4.7359 4.7359 4.7359 5.0106 5.0106 5.0106 5.0106 5.3156 5.3156 5.3156 5.3156 5.7822 5.7822 5.7822 5.7822 6.1112 6.1112 6.1112 6.1112 8.1505 8.1505 8.1505 8.1505 9.6330 9.6330 9.6330 9.6330 9.9406 9.9406 k =-0.3276 0.1171 0.6285 ( 4090 PWs) bands (ev): 4.5511 4.5511 4.5511 4.5511 4.7312 4.7312 4.7312 4.7312 5.0044 5.0044 5.0044 5.0044 5.3456 5.3456 5.3456 5.3456 5.7796 5.7796 5.7796 5.7796 6.0863 6.0863 6.0863 6.0863 8.1224 8.1224 8.1224 8.1224 9.6605 9.6605 9.6605 9.6605 9.9998 9.9998 k =-0.3448 0.1233 0.6285 ( 4086 PWs) bands (ev): 4.5599 4.5599 4.5599 4.5599 4.7271 4.7271 4.7271 4.7271 4.9981 4.9981 4.9981 4.9981 5.3759 5.3759 5.3759 5.3759 5.7774 5.7774 5.7774 5.7774 6.0610 6.0610 6.0610 6.0610 8.0952 8.0952 8.0952 8.0952 9.6881 9.6881 9.6881 9.6881 10.0579 10.0579 k =-0.3621 0.1295 0.6285 ( 4092 PWs) bands (ev): 4.5681 4.5681 4.5681 4.5681 4.7235 4.7235 4.7235 4.7235 4.9920 4.9920 4.9920 4.9920 5.4060 5.4060 5.4060 5.4060 5.7756 5.7756 5.7756 5.7756 6.0356 6.0356 6.0356 6.0356 8.0694 8.0694 8.0694 8.0694 9.7151 9.7151 9.7151 9.7151 10.1141 10.1141 k =-0.3793 0.1356 0.6285 ( 4084 PWs) bands (ev): 4.5755 4.5755 4.5755 4.5755 4.7206 4.7206 4.7206 4.7206 4.9864 4.9864 4.9864 4.9864 5.4353 5.4353 5.4353 5.4353 5.7743 5.7743 5.7743 5.7743 6.0105 6.0105 6.0105 6.0105 8.0454 8.0454 8.0454 8.0454 9.7410 9.7410 9.7410 9.7410 10.1674 10.1674 k =-0.3966 0.1418 0.6285 ( 4084 PWs) bands (ev): 4.5820 4.5820 4.5820 4.5820 4.7183 4.7183 4.7183 4.7183 4.9813 4.9813 4.9813 4.9813 5.4633 5.4633 5.4633 5.4633 5.7735 5.7735 5.7735 5.7735 5.9858 5.9858 5.9858 5.9858 8.0237 8.0237 8.0237 8.0237 9.7650 9.7650 9.7650 9.7650 10.2170 10.2170 k =-0.4138 0.1480 0.6285 ( 4082 PWs) bands (ev): 4.5874 4.5874 4.5874 4.5874 4.7167 4.7167 4.7167 4.7167 4.9768 4.9768 4.9768 4.9768 5.4895 5.4895 5.4895 5.4895 5.7734 5.7734 5.7734 5.7734 5.9621 5.9621 5.9621 5.9621 8.0046 8.0046 8.0046 8.0046 9.7866 9.7866 9.7866 9.7866 10.2617 10.2617 k =-0.4310 0.1541 0.6285 ( 4082 PWs) bands (ev): 4.5918 4.5918 4.5918 4.5918 4.7156 4.7156 4.7156 4.7156 4.9731 4.9731 4.9731 4.9731 5.5130 5.5130 5.5130 5.5130 5.7740 5.7740 5.7740 5.7740 5.9400 5.9400 5.9400 5.9400 7.9885 7.9885 7.9885 7.9885 9.8053 9.8053 9.8053 9.8053 10.3004 10.3004 k =-0.4483 0.1603 0.6285 ( 4070 PWs) bands (ev): 4.5952 4.5952 4.5952 4.5952 4.7150 4.7150 4.7150 4.7150 4.9702 4.9702 4.9702 4.9702 5.5329 5.5329 5.5329 5.5329 5.7753 5.7753 5.7753 5.7753 5.9203 5.9203 5.9203 5.9203 7.9757 7.9757 7.9757 7.9757 9.8203 9.8203 9.8203 9.8203 10.3320 10.3320 k =-0.4655 0.1665 0.6285 ( 4064 PWs) bands (ev): 4.5975 4.5975 4.5975 4.5975 4.7147 4.7147 4.7147 4.7147 4.9681 4.9681 4.9681 4.9681 5.5483 5.5483 5.5483 5.5483 5.7770 5.7770 5.7770 5.7770 5.9044 5.9044 5.9044 5.9044 7.9663 7.9663 7.9663 7.9663 9.8315 9.8315 9.8315 9.8315 10.3554 10.3554 k =-0.4828 0.1726 0.6285 ( 4068 PWs) bands (ev): 4.5989 4.5989 4.5989 4.5989 4.7145 4.7145 4.7145 4.7145 4.9668 4.9668 4.9668 4.9668 5.5580 5.5580 5.5580 5.5580 5.7786 5.7786 5.7786 5.7786 5.8938 5.8938 5.8938 5.8938 7.9607 7.9607 7.9607 7.9607 9.8383 9.8383 9.8383 9.8383 10.3699 10.3699 k =-0.5000 0.1788 0.6285 ( 4064 PWs) bands (ev): 4.5993 4.5993 4.5993 4.5993 4.7145 4.7145 4.7145 4.7145 4.9664 4.9664 4.9664 4.9664 5.5614 5.5614 5.5614 5.5614 5.7792 5.7792 5.7792 5.7792 5.8901 5.8901 5.8901 5.8901 7.9588 7.9588 7.9588 7.9588 9.8406 9.8406 9.8406 9.8406 10.3748 10.3748 Writing output data file LaPd.save init_run : 3.80s CPU 13.24s WALL ( 1 calls) electrons : 607.69s CPU 616.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 607.63s CPU 616.50s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.79s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.63s WALL ( 1 calls) newd : 0.50s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 398 calls) cegterg : 545.02s CPU 549.04s WALL ( 1040 calls) Called by sum_band: Called by *egterg: h_psi : 321.44s CPU 331.11s WALL ( 18683 calls) s_psi : 24.11s CPU 24.75s WALL ( 18683 calls) g_psi : 0.76s CPU 0.99s WALL ( 17245 calls) cdiaghg : 139.29s CPU 135.95s WALL ( 17643 calls) cegterg:over : 43.97s CPU 39.27s WALL ( 17245 calls) cegterg:upda : 7.48s CPU 11.91s WALL ( 17245 calls) cegterg:last : 7.84s CPU 9.32s WALL ( 3643 calls) Called by h_psi: h_psi:vloc : 254.22s CPU 262.58s WALL ( 18683 calls) h_psi:vnl : 66.93s CPU 67.67s WALL ( 18683 calls) add_vuspsi : 22.17s CPU 27.38s WALL ( 18683 calls) General routines calbec : 44.70s CPU 40.16s WALL ( 18683 calls) fft : 0.59s CPU 1.53s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 233.41s CPU 237.00s WALL ( 1487580 calls) interpolate : 0.26s CPU 0.26s WALL ( 4 calls) davcio : 0.06s CPU 3.82s WALL ( 796 calls) Parallel routines fft_scatter : 138.27s CPU 137.52s WALL ( 1487603 calls) PWSCF : 11m 6.86s CPU 13m18.70s WALL This run was terminated on: 11:24:45 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=