Program PWSCF v.5.1.1 starts on 24Nov2015 at 19:42:34 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: ./Si2N2O.save/ 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 46 27 7 1626 713 111 Max 47 28 8 1633 730 116 Sum 2249 1307 379 78245 34677 5459 bravais-lattice index = 14 lattice parameter (alat) = 9.8674 a.u. unit-cell volume = 793.8109 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.867430 celldm(2)= 1.000000 celldm(3)= 0.925039 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.449675 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.449675 0.893192 0.000000 ) a(3) = ( 0.000000 0.000000 0.925039 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.503447 -0.000000 ) b(2) = ( 0.000000 1.119580 -0.000000 ) b(3) = ( 0.000000 0.000000 1.081036 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 ) ( 0.4625193 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086226 0.0139947 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172453 0.0279895 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258679 0.0419842 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0344905 0.0559790 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431131 0.0699737 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517357 0.0839685 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0603584 0.0979632 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0689810 0.1119580 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776036 0.1259527 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862262 0.1399474 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0948489 0.1539422 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1034715 0.1679369 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1120941 0.1819317 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1207167 0.1959264 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1293394 0.2099212 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1379620 0.2239159 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1465846 0.2379107 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1552072 0.2519054 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1638299 0.2659002 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1724525 0.2798949 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1810751 0.2938897 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1896977 0.3078844 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1983204 0.3218791 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2069430 0.3358739 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2155656 0.3498686 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2241882 0.3638634 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2328109 0.3778581 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2414335 0.3918529 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2500561 0.4058476 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2586787 0.4198423 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2673013 0.4338371 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2759240 0.4478318 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2845466 0.4618266 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2931692 0.4758213 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3017918 0.4898161 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3104145 0.5038108 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3190371 0.5178056 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3276597 0.5318003 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3362823 0.5457951 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3449050 0.5597898 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3449050 0.5597898 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3284809 0.5597898 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3120569 0.5597898 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2956328 0.5597898 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2792088 0.5597898 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2627847 0.5597898 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2463607 0.5597898 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2299366 0.5597898 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2135126 0.5597898 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1970886 0.5597898 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1806645 0.5597898 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1642405 0.5597898 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1478164 0.5597898 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1313924 0.5597898 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1149683 0.5597898 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0985443 0.5597898 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821202 0.5597898 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0656962 0.5597898 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0492721 0.5597898 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328481 0.5597898 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164240 0.5597898 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5597898 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5597898 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5597898 0.0163793), wk = 0.0026738 k( 66) = ( 0.0000000 0.5597898 0.0327587), wk = 0.0026738 k( 67) = ( 0.0000000 0.5597898 0.0491380), wk = 0.0026738 k( 68) = ( 0.0000000 0.5597898 0.0655173), wk = 0.0026738 k( 69) = ( 0.0000000 0.5597898 0.0818967), wk = 0.0026738 k( 70) = ( 0.0000000 0.5597898 0.0982760), wk = 0.0026738 k( 71) = ( 0.0000000 0.5597898 0.1146553), wk = 0.0026738 k( 72) = ( 0.0000000 0.5597898 0.1310346), wk = 0.0026738 k( 73) = ( 0.0000000 0.5597898 0.1474140), wk = 0.0026738 k( 74) = ( 0.0000000 0.5597898 0.1637933), wk = 0.0026738 k( 75) = ( 0.0000000 0.5597898 0.1801726), wk = 0.0026738 k( 76) = ( 0.0000000 0.5597898 0.1965520), wk = 0.0026738 k( 77) = ( 0.0000000 0.5597898 0.2129313), wk = 0.0026738 k( 78) = ( 0.0000000 0.5597898 0.2293106), wk = 0.0026738 k( 79) = ( 0.0000000 0.5597898 0.2456900), wk = 0.0026738 k( 80) = ( 0.0000000 0.5597898 0.2620693), wk = 0.0026738 k( 81) = ( 0.0000000 0.5597898 0.2784486), wk = 0.0026738 k( 82) = ( 0.0000000 0.5597898 0.2948280), wk = 0.0026738 k( 83) = ( 0.0000000 0.5597898 0.3112073), wk = 0.0026738 k( 84) = ( 0.0000000 0.5597898 0.3275866), wk = 0.0026738 k( 85) = ( 0.0000000 0.5597898 0.3439660), wk = 0.0026738 k( 86) = ( 0.0000000 0.5597898 0.3603453), wk = 0.0026738 k( 87) = ( 0.0000000 0.5597898 0.3767246), wk = 0.0026738 k( 88) = ( 0.0000000 0.5597898 0.3931039), wk = 0.0026738 k( 89) = ( 0.0000000 0.5597898 0.4094833), wk = 0.0026738 k( 90) = ( 0.0000000 0.5597898 0.4258626), wk = 0.0026738 k( 91) = ( 0.0000000 0.5597898 0.4422419), wk = 0.0026738 k( 92) = ( 0.0000000 0.5597898 0.4586213), wk = 0.0026738 k( 93) = ( 0.0000000 0.5597898 0.4750006), wk = 0.0026738 k( 94) = ( 0.0000000 0.5597898 0.4913799), wk = 0.0026738 k( 95) = ( 0.0000000 0.5597898 0.5077593), wk = 0.0026738 k( 96) = ( 0.0000000 0.5597898 0.5241386), wk = 0.0026738 k( 97) = ( 0.0000000 0.5597898 0.5405179), wk = 0.0026738 k( 98) = ( 0.0000000 0.5597898 0.5405179), wk = 0.0026738 k( 99) = ( 0.0164240 0.5597898 0.5405179), wk = 0.0026738 k( 100) = ( 0.0328481 0.5597898 0.5405179), wk = 0.0026738 k( 101) = ( 0.0492721 0.5597898 0.5405179), wk = 0.0026738 k( 102) = ( 0.0656962 0.5597898 0.5405179), wk = 0.0026738 k( 103) = ( 0.0821202 0.5597898 0.5405179), wk = 0.0026738 k( 104) = ( 0.0985443 0.5597898 0.5405179), wk = 0.0026738 k( 105) = ( 0.1149683 0.5597898 0.5405179), wk = 0.0026738 k( 106) = ( 0.1313924 0.5597898 0.5405179), wk = 0.0026738 k( 107) = ( 0.1478164 0.5597898 0.5405179), wk = 0.0026738 k( 108) = ( 0.1642405 0.5597898 0.5405179), wk = 0.0026738 k( 109) = ( 0.1806645 0.5597898 0.5405179), wk = 0.0026738 k( 110) = ( 0.1970886 0.5597898 0.5405179), wk = 0.0026738 k( 111) = ( 0.2135126 0.5597898 0.5405179), wk = 0.0026738 k( 112) = ( 0.2299366 0.5597898 0.5405179), wk = 0.0026738 k( 113) = ( 0.2463607 0.5597898 0.5405179), wk = 0.0026738 k( 114) = ( 0.2627847 0.5597898 0.5405179), wk = 0.0026738 k( 115) = ( 0.2792088 0.5597898 0.5405179), wk = 0.0026738 k( 116) = ( 0.2956328 0.5597898 0.5405179), wk = 0.0026738 k( 117) = ( 0.3120569 0.5597898 0.5405179), wk = 0.0026738 k( 118) = ( 0.3284809 0.5597898 0.5405179), wk = 0.0026738 k( 119) = ( 0.3449050 0.5597898 0.5405179), wk = 0.0026738 k( 120) = ( 0.3449050 0.5597898 0.5405179), wk = 0.0026738 k( 121) = ( 0.3362823 0.5457951 0.5405179), wk = 0.0026738 k( 122) = ( 0.3276597 0.5318003 0.5405179), wk = 0.0026738 k( 123) = ( 0.3190371 0.5178056 0.5405179), wk = 0.0026738 k( 124) = ( 0.3104145 0.5038108 0.5405179), wk = 0.0026738 k( 125) = ( 0.3017918 0.4898161 0.5405179), wk = 0.0026738 k( 126) = ( 0.2931692 0.4758213 0.5405179), wk = 0.0026738 k( 127) = ( 0.2845466 0.4618266 0.5405179), wk = 0.0026738 k( 128) = ( 0.2759240 0.4478318 0.5405179), wk = 0.0026738 k( 129) = ( 0.2673013 0.4338371 0.5405179), wk = 0.0026738 k( 130) = ( 0.2586787 0.4198423 0.5405179), wk = 0.0026738 k( 131) = ( 0.2500561 0.4058476 0.5405179), wk = 0.0026738 k( 132) = ( 0.2414335 0.3918529 0.5405179), wk = 0.0026738 k( 133) = ( 0.2328109 0.3778581 0.5405179), wk = 0.0026738 k( 134) = ( 0.2241882 0.3638634 0.5405179), wk = 0.0026738 k( 135) = ( 0.2155656 0.3498686 0.5405179), wk = 0.0026738 k( 136) = ( 0.2069430 0.3358739 0.5405179), wk = 0.0026738 k( 137) = ( 0.1983204 0.3218791 0.5405179), wk = 0.0026738 k( 138) = ( 0.1896977 0.3078844 0.5405179), wk = 0.0026738 k( 139) = ( 0.1810751 0.2938897 0.5405179), wk = 0.0026738 k( 140) = ( 0.1724525 0.2798949 0.5405179), wk = 0.0026738 k( 141) = ( 0.1638299 0.2659002 0.5405179), wk = 0.0026738 k( 142) = ( 0.1552072 0.2519054 0.5405179), wk = 0.0026738 k( 143) = ( 0.1465846 0.2379107 0.5405179), wk = 0.0026738 k( 144) = ( 0.1379620 0.2239159 0.5405179), wk = 0.0026738 k( 145) = ( 0.1293394 0.2099212 0.5405179), wk = 0.0026738 k( 146) = ( 0.1207167 0.1959264 0.5405179), wk = 0.0026738 k( 147) = ( 0.1120941 0.1819317 0.5405179), wk = 0.0026738 k( 148) = ( 0.1034715 0.1679369 0.5405179), wk = 0.0026738 k( 149) = ( 0.0948489 0.1539422 0.5405179), wk = 0.0026738 k( 150) = ( 0.0862262 0.1399474 0.5405179), wk = 0.0026738 k( 151) = ( 0.0776036 0.1259527 0.5405179), wk = 0.0026738 k( 152) = ( 0.0689810 0.1119580 0.5405179), wk = 0.0026738 k( 153) = ( 0.0603584 0.0979632 0.5405179), wk = 0.0026738 k( 154) = ( 0.0517357 0.0839685 0.5405179), wk = 0.0026738 k( 155) = ( 0.0431131 0.0699737 0.5405179), wk = 0.0026738 k( 156) = ( 0.0344905 0.0559790 0.5405179), wk = 0.0026738 k( 157) = ( 0.0258679 0.0419842 0.5405179), wk = 0.0026738 k( 158) = ( 0.0172453 0.0279895 0.5405179), wk = 0.0026738 k( 159) = ( 0.0086226 0.0139947 0.5405179), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5405179), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5405179), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5241386), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5077593), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4913799), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4750006), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4586213), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4422419), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4258626), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4094833), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3931039), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3767246), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3603453), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3439660), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3275866), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3112073), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2948280), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2784486), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2620693), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2456900), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2293106), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2129313), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1965520), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1801726), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1637933), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1474140), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1310346), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1146553), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0982760), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0818967), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0655173), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0491380), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0327587), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163793), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085574 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171148 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0256722 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342296 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0427870 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0513444 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0599018 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0684592 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0770166 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0855740 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0941314 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1026888 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1112462 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1198036 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1283610 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1369184 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1454758 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1540332 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1625907 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1711481 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1797055 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1882629 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1968203 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2053777 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2139351 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2224925 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2310499 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2396073 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2481647 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2567221 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2652795 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2738369 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2823943 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2909517 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.2995091 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3080665 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3080665 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913836 0.3220511 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827672 0.3360357 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741508 0.3500204 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655344 0.3640050 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569181 0.3779896 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483016 0.3919743 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4396853 0.4059589 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4310689 0.4199435 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4224525 0.4339282 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4138361 0.4479128 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4052197 0.4618974 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3966033 0.4758820 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3879869 0.4898667 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3793705 0.5038513 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3707541 0.5178359 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3621377 0.5318205 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3535214 0.5458052 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3449050 0.5597898 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3449050 0.5597898 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3449050 0.5597898 0.0163793), wk = 0.0026738 k( 253) = ( -0.3449050 0.5597898 0.0327587), wk = 0.0026738 k( 254) = ( -0.3449050 0.5597898 0.0491380), wk = 0.0026738 k( 255) = ( -0.3449050 0.5597898 0.0655173), wk = 0.0026738 k( 256) = ( -0.3449050 0.5597898 0.0818967), wk = 0.0026738 k( 257) = ( -0.3449050 0.5597898 0.0982760), wk = 0.0026738 k( 258) = ( -0.3449050 0.5597898 0.1146553), wk = 0.0026738 k( 259) = ( -0.3449050 0.5597898 0.1310346), wk = 0.0026738 k( 260) = ( -0.3449050 0.5597898 0.1474140), wk = 0.0026738 k( 261) = ( -0.3449050 0.5597898 0.1637933), wk = 0.0026738 k( 262) = ( -0.3449050 0.5597898 0.1801726), wk = 0.0026738 k( 263) = ( -0.3449050 0.5597898 0.1965520), wk = 0.0026738 k( 264) = ( -0.3449050 0.5597898 0.2129313), wk = 0.0026738 k( 265) = ( -0.3449050 0.5597898 0.2293106), wk = 0.0026738 k( 266) = ( -0.3449050 0.5597898 0.2456900), wk = 0.0026738 k( 267) = ( -0.3449050 0.5597898 0.2620693), wk = 0.0026738 k( 268) = ( -0.3449050 0.5597898 0.2784486), wk = 0.0026738 k( 269) = ( -0.3449050 0.5597898 0.2948280), wk = 0.0026738 k( 270) = ( -0.3449050 0.5597898 0.3112073), wk = 0.0026738 k( 271) = ( -0.3449050 0.5597898 0.3275866), wk = 0.0026738 k( 272) = ( -0.3449050 0.5597898 0.3439660), wk = 0.0026738 k( 273) = ( -0.3449050 0.5597898 0.3603453), wk = 0.0026738 k( 274) = ( -0.3449050 0.5597898 0.3767246), wk = 0.0026738 k( 275) = ( -0.3449050 0.5597898 0.3931039), wk = 0.0026738 k( 276) = ( -0.3449050 0.5597898 0.4094833), wk = 0.0026738 k( 277) = ( -0.3449050 0.5597898 0.4258626), wk = 0.0026738 k( 278) = ( -0.3449050 0.5597898 0.4422419), wk = 0.0026738 k( 279) = ( -0.3449050 0.5597898 0.4586213), wk = 0.0026738 k( 280) = ( -0.3449050 0.5597898 0.4750006), wk = 0.0026738 k( 281) = ( -0.3449050 0.5597898 0.4913799), wk = 0.0026738 k( 282) = ( -0.3449050 0.5597898 0.5077593), wk = 0.0026738 k( 283) = ( -0.3449050 0.5597898 0.5241386), wk = 0.0026738 k( 284) = ( -0.3449050 0.5597898 0.5405179), wk = 0.0026738 k( 285) = ( -0.3449050 0.5597898 0.5405179), wk = 0.0026738 k( 286) = ( -0.3535214 0.5458052 0.5405179), wk = 0.0026738 k( 287) = ( -0.3621377 0.5318205 0.5405179), wk = 0.0026738 k( 288) = ( -0.3707541 0.5178359 0.5405179), wk = 0.0026738 k( 289) = ( -0.3793705 0.5038513 0.5405179), wk = 0.0026738 k( 290) = ( -0.3879869 0.4898667 0.5405179), wk = 0.0026738 k( 291) = ( -0.3966033 0.4758820 0.5405179), wk = 0.0026738 k( 292) = ( -0.4052197 0.4618974 0.5405179), wk = 0.0026738 k( 293) = ( -0.4138361 0.4479128 0.5405179), wk = 0.0026738 k( 294) = ( -0.4224525 0.4339282 0.5405179), wk = 0.0026738 k( 295) = ( -0.4310689 0.4199435 0.5405179), wk = 0.0026738 k( 296) = ( -0.4396853 0.4059589 0.5405179), wk = 0.0026738 k( 297) = ( -0.4483016 0.3919743 0.5405179), wk = 0.0026738 k( 298) = ( -0.4569181 0.3779896 0.5405179), wk = 0.0026738 k( 299) = ( -0.4655344 0.3640050 0.5405179), wk = 0.0026738 k( 300) = ( -0.4741508 0.3500204 0.5405179), wk = 0.0026738 k( 301) = ( -0.4827672 0.3360357 0.5405179), wk = 0.0026738 k( 302) = ( -0.4913836 0.3220511 0.5405179), wk = 0.0026738 k( 303) = ( -0.5000000 0.3080665 0.5405179), wk = 0.0026738 k( 304) = ( -0.5000000 0.3080665 0.5405179), wk = 0.0026738 k( 305) = ( -0.5000000 0.3080665 0.5241386), wk = 0.0026738 k( 306) = ( -0.5000000 0.3080665 0.5077593), wk = 0.0026738 k( 307) = ( -0.5000000 0.3080665 0.4913799), wk = 0.0026738 k( 308) = ( -0.5000000 0.3080665 0.4750006), wk = 0.0026738 k( 309) = ( -0.5000000 0.3080665 0.4586213), wk = 0.0026738 k( 310) = ( -0.5000000 0.3080665 0.4422419), wk = 0.0026738 k( 311) = ( -0.5000000 0.3080665 0.4258626), wk = 0.0026738 k( 312) = ( -0.5000000 0.3080665 0.4094833), wk = 0.0026738 k( 313) = ( -0.5000000 0.3080665 0.3931039), wk = 0.0026738 k( 314) = ( -0.5000000 0.3080665 0.3767246), wk = 0.0026738 k( 315) = ( -0.5000000 0.3080665 0.3603453), wk = 0.0026738 k( 316) = ( -0.5000000 0.3080665 0.3439660), wk = 0.0026738 k( 317) = ( -0.5000000 0.3080665 0.3275866), wk = 0.0026738 k( 318) = ( -0.5000000 0.3080665 0.3112073), wk = 0.0026738 k( 319) = ( -0.5000000 0.3080665 0.2948280), wk = 0.0026738 k( 320) = ( -0.5000000 0.3080665 0.2784486), wk = 0.0026738 k( 321) = ( -0.5000000 0.3080665 0.2620693), wk = 0.0026738 k( 322) = ( -0.5000000 0.3080665 0.2456900), wk = 0.0026738 k( 323) = ( -0.5000000 0.3080665 0.2293106), wk = 0.0026738 k( 324) = ( -0.5000000 0.3080665 0.2129313), wk = 0.0026738 k( 325) = ( -0.5000000 0.3080665 0.1965520), wk = 0.0026738 k( 326) = ( -0.5000000 0.3080665 0.1801726), wk = 0.0026738 k( 327) = ( -0.5000000 0.3080665 0.1637933), wk = 0.0026738 k( 328) = ( -0.5000000 0.3080665 0.1474140), wk = 0.0026738 k( 329) = ( -0.5000000 0.3080665 0.1310346), wk = 0.0026738 k( 330) = ( -0.5000000 0.3080665 0.1146553), wk = 0.0026738 k( 331) = ( -0.5000000 0.3080665 0.0982760), wk = 0.0026738 k( 332) = ( -0.5000000 0.3080665 0.0818967), wk = 0.0026738 k( 333) = ( -0.5000000 0.3080665 0.0655173), wk = 0.0026738 k( 334) = ( -0.5000000 0.3080665 0.0491380), wk = 0.0026738 k( 335) = ( -0.5000000 0.3080665 0.0327587), wk = 0.0026738 k( 336) = ( -0.5000000 0.3080665 0.0163793), wk = 0.0026738 k( 337) = ( -0.5000000 0.3080665 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5405179), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085574 0.5405179), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171148 0.5405179), wk = 0.0026738 k( 341) = ( -0.0416667 0.0256722 0.5405179), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342296 0.5405179), wk = 0.0026738 k( 343) = ( -0.0694444 0.0427870 0.5405179), wk = 0.0026738 k( 344) = ( -0.0833333 0.0513444 0.5405179), wk = 0.0026738 k( 345) = ( -0.0972222 0.0599018 0.5405179), wk = 0.0026738 k( 346) = ( -0.1111111 0.0684592 0.5405179), wk = 0.0026738 k( 347) = ( -0.1250000 0.0770166 0.5405179), wk = 0.0026738 k( 348) = ( -0.1388889 0.0855740 0.5405179), wk = 0.0026738 k( 349) = ( -0.1527778 0.0941314 0.5405179), wk = 0.0026738 k( 350) = ( -0.1666667 0.1026888 0.5405179), wk = 0.0026738 k( 351) = ( -0.1805556 0.1112462 0.5405179), wk = 0.0026738 k( 352) = ( -0.1944444 0.1198036 0.5405179), wk = 0.0026738 k( 353) = ( -0.2083333 0.1283610 0.5405179), wk = 0.0026738 k( 354) = ( -0.2222222 0.1369184 0.5405179), wk = 0.0026738 k( 355) = ( -0.2361111 0.1454758 0.5405179), wk = 0.0026738 k( 356) = ( -0.2500000 0.1540332 0.5405179), wk = 0.0026738 k( 357) = ( -0.2638889 0.1625907 0.5405179), wk = 0.0026738 k( 358) = ( -0.2777778 0.1711481 0.5405179), wk = 0.0026738 k( 359) = ( -0.2916667 0.1797055 0.5405179), wk = 0.0026738 k( 360) = ( -0.3055556 0.1882629 0.5405179), wk = 0.0026738 k( 361) = ( -0.3194444 0.1968203 0.5405179), wk = 0.0026738 k( 362) = ( -0.3333333 0.2053777 0.5405179), wk = 0.0026738 k( 363) = ( -0.3472222 0.2139351 0.5405179), wk = 0.0026738 k( 364) = ( -0.3611111 0.2224925 0.5405179), wk = 0.0026738 k( 365) = ( -0.3750000 0.2310499 0.5405179), wk = 0.0026738 k( 366) = ( -0.3888889 0.2396073 0.5405179), wk = 0.0026738 k( 367) = ( -0.4027778 0.2481647 0.5405179), wk = 0.0026738 k( 368) = ( -0.4166667 0.2567221 0.5405179), wk = 0.0026738 k( 369) = ( -0.4305556 0.2652795 0.5405179), wk = 0.0026738 k( 370) = ( -0.4444444 0.2738369 0.5405179), wk = 0.0026738 k( 371) = ( -0.4583333 0.2823943 0.5405179), wk = 0.0026738 k( 372) = ( -0.4722222 0.2909517 0.5405179), wk = 0.0026738 k( 373) = ( -0.4861111 0.2995091 0.5405179), wk = 0.0026738 k( 374) = ( -0.5000000 0.3080665 0.5405179), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086226 0.0086226 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172453 0.0172453 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258679 0.0258679 0.0000000), wk = 0.0026738 k( 5) = ( 0.0344905 0.0344905 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431131 0.0431131 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517357 0.0517357 0.0000000), wk = 0.0026738 k( 8) = ( 0.0603584 0.0603584 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0689810 0.0689810 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776036 0.0776036 0.0000000), wk = 0.0026738 k( 11) = ( 0.0862262 0.0862262 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0948489 0.0948489 0.0000000), wk = 0.0026738 k( 13) = ( 0.1034715 0.1034715 0.0000000), wk = 0.0026738 k( 14) = ( 0.1120941 0.1120941 0.0000000), wk = 0.0026738 k( 15) = ( 0.1207167 0.1207167 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1293394 0.1293394 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1379620 0.1379620 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1465846 0.1465846 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1552072 0.1552072 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1638299 0.1638299 0.0000000), wk = 0.0026738 k( 21) = ( 0.1724525 0.1724525 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1810751 0.1810751 0.0000000), wk = 0.0026738 k( 23) = ( 0.1896977 0.1896977 0.0000000), wk = 0.0026738 k( 24) = ( 0.1983204 0.1983204 0.0000000), wk = 0.0026738 k( 25) = ( 0.2069430 0.2069430 0.0000000), wk = 0.0026738 k( 26) = ( 0.2155656 0.2155656 0.0000000), wk = 0.0026738 k( 27) = ( 0.2241882 0.2241882 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2328109 0.2328109 0.0000000), wk = 0.0026738 k( 29) = ( 0.2414335 0.2414335 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2500561 0.2500561 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2586787 0.2586787 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2673013 0.2673013 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2759240 0.2759240 0.0000000), wk = 0.0026738 k( 34) = ( 0.2845466 0.2845466 0.0000000), wk = 0.0026738 k( 35) = ( 0.2931692 0.2931692 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3017918 0.3017918 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3104145 0.3104145 0.0000000), wk = 0.0026738 k( 38) = ( 0.3190371 0.3190371 0.0000000), wk = 0.0026738 k( 39) = ( 0.3276597 0.3276597 0.0000000), wk = 0.0026738 k( 40) = ( 0.3362823 0.3362823 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3449050 0.3449050 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3449050 0.3449050 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3284809 0.3522904 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3120569 0.3596759 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2956328 0.3670614 0.0000000), wk = 0.0026738 k( 46) = ( 0.2792088 0.3744469 0.0000000), wk = 0.0026738 k( 47) = ( 0.2627847 0.3818323 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2463607 0.3892178 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2299366 0.3966033 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2135126 0.4039888 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1970886 0.4113743 0.0000000), wk = 0.0026738 k( 52) = ( 0.1806645 0.4187597 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1642405 0.4261452 0.0000000), wk = 0.0026738 k( 54) = ( 0.1478164 0.4335307 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1313924 0.4409162 0.0000000), wk = 0.0026738 k( 56) = ( 0.1149683 0.4483016 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0985443 0.4556871 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821202 0.4630726 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0656962 0.4704581 0.0000000), wk = 0.0026738 k( 60) = ( 0.0492721 0.4778436 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328481 0.4852290 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164240 0.4926145 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515152), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164240 0.4926145 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328481 0.4852290 0.5000000), wk = 0.0026738 k( 101) = ( 0.0492721 0.4778436 0.5000000), wk = 0.0026738 k( 102) = ( 0.0656962 0.4704581 0.5000000), wk = 0.0026738 k( 103) = ( 0.0821202 0.4630726 0.5000000), wk = 0.0026738 k( 104) = ( 0.0985443 0.4556871 0.5000000), wk = 0.0026738 k( 105) = ( 0.1149683 0.4483016 0.5000000), wk = 0.0026738 k( 106) = ( 0.1313924 0.4409162 0.5000000), wk = 0.0026738 k( 107) = ( 0.1478164 0.4335307 0.5000000), wk = 0.0026738 k( 108) = ( 0.1642405 0.4261452 0.5000000), wk = 0.0026738 k( 109) = ( 0.1806645 0.4187597 0.5000000), wk = 0.0026738 k( 110) = ( 0.1970886 0.4113743 0.5000000), wk = 0.0026738 k( 111) = ( 0.2135126 0.4039888 0.5000000), wk = 0.0026738 k( 112) = ( 0.2299366 0.3966033 0.5000000), wk = 0.0026738 k( 113) = ( 0.2463607 0.3892178 0.5000000), wk = 0.0026738 k( 114) = ( 0.2627847 0.3818323 0.5000000), wk = 0.0026738 k( 115) = ( 0.2792088 0.3744469 0.5000000), wk = 0.0026738 k( 116) = ( 0.2956328 0.3670614 0.5000000), wk = 0.0026738 k( 117) = ( 0.3120569 0.3596759 0.5000000), wk = 0.0026738 k( 118) = ( 0.3284809 0.3522904 0.5000000), wk = 0.0026738 k( 119) = ( 0.3449050 0.3449050 0.5000000), wk = 0.0026738 k( 120) = ( 0.3449050 0.3449050 0.5000000), wk = 0.0026738 k( 121) = ( 0.3362823 0.3362823 0.5000000), wk = 0.0026738 k( 122) = ( 0.3276597 0.3276597 0.5000000), wk = 0.0026738 k( 123) = ( 0.3190371 0.3190371 0.5000000), wk = 0.0026738 k( 124) = ( 0.3104145 0.3104145 0.5000000), wk = 0.0026738 k( 125) = ( 0.3017918 0.3017918 0.5000000), wk = 0.0026738 k( 126) = ( 0.2931692 0.2931692 0.5000000), wk = 0.0026738 k( 127) = ( 0.2845466 0.2845466 0.5000000), wk = 0.0026738 k( 128) = ( 0.2759240 0.2759240 0.5000000), wk = 0.0026738 k( 129) = ( 0.2673013 0.2673013 0.5000000), wk = 0.0026738 k( 130) = ( 0.2586787 0.2586787 0.5000000), wk = 0.0026738 k( 131) = ( 0.2500561 0.2500561 0.5000000), wk = 0.0026738 k( 132) = ( 0.2414335 0.2414335 0.5000000), wk = 0.0026738 k( 133) = ( 0.2328109 0.2328109 0.5000000), wk = 0.0026738 k( 134) = ( 0.2241882 0.2241882 0.5000000), wk = 0.0026738 k( 135) = ( 0.2155656 0.2155656 0.5000000), wk = 0.0026738 k( 136) = ( 0.2069430 0.2069430 0.5000000), wk = 0.0026738 k( 137) = ( 0.1983204 0.1983204 0.5000000), wk = 0.0026738 k( 138) = ( 0.1896977 0.1896977 0.5000000), wk = 0.0026738 k( 139) = ( 0.1810751 0.1810751 0.5000000), wk = 0.0026738 k( 140) = ( 0.1724525 0.1724525 0.5000000), wk = 0.0026738 k( 141) = ( 0.1638299 0.1638299 0.5000000), wk = 0.0026738 k( 142) = ( 0.1552072 0.1552072 0.5000000), wk = 0.0026738 k( 143) = ( 0.1465846 0.1465846 0.5000000), wk = 0.0026738 k( 144) = ( 0.1379620 0.1379620 0.5000000), wk = 0.0026738 k( 145) = ( 0.1293394 0.1293394 0.5000000), wk = 0.0026738 k( 146) = ( 0.1207167 0.1207167 0.5000000), wk = 0.0026738 k( 147) = ( 0.1120941 0.1120941 0.5000000), wk = 0.0026738 k( 148) = ( 0.1034715 0.1034715 0.5000000), wk = 0.0026738 k( 149) = ( 0.0948489 0.0948489 0.5000000), wk = 0.0026738 k( 150) = ( 0.0862262 0.0862262 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776036 0.0776036 0.5000000), wk = 0.0026738 k( 152) = ( 0.0689810 0.0689810 0.5000000), wk = 0.0026738 k( 153) = ( 0.0603584 0.0603584 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517357 0.0517357 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431131 0.0431131 0.5000000), wk = 0.0026738 k( 156) = ( 0.0344905 0.0344905 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258679 0.0258679 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172453 0.0172453 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086226 0.0086226 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 -0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 -0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 -0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4913836 0.5086164 0.0000000), wk = 0.0026738 k( 234) = ( -0.4827672 0.5172328 0.0000000), wk = 0.0026738 k( 235) = ( -0.4741508 0.5258492 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655344 0.5344656 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569181 0.5430819 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483016 0.5516984 0.0000000), wk = 0.0026738 k( 239) = ( -0.4396853 0.5603147 0.0000000), wk = 0.0026738 k( 240) = ( -0.4310689 0.5689311 0.0000000), wk = 0.0026738 k( 241) = ( -0.4224525 0.5775475 0.0000000), wk = 0.0026738 k( 242) = ( -0.4138361 0.5861639 0.0000000), wk = 0.0026738 k( 243) = ( -0.4052197 0.5947803 0.0000000), wk = 0.0026738 k( 244) = ( -0.3966033 0.6033967 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3879869 0.6120131 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3793705 0.6206295 0.0000000), wk = 0.0026738 k( 247) = ( -0.3707541 0.6292459 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3621377 0.6378622 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3535214 0.6464786 0.0000000), wk = 0.0026738 k( 250) = ( -0.3449050 0.6550950 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3449050 0.6550950 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3449050 0.6550950 0.0151515), wk = 0.0026738 k( 253) = ( -0.3449050 0.6550950 0.0303030), wk = 0.0026738 k( 254) = ( -0.3449050 0.6550950 0.0454546), wk = 0.0026738 k( 255) = ( -0.3449050 0.6550950 0.0606061), wk = 0.0026738 k( 256) = ( -0.3449050 0.6550950 0.0757576), wk = 0.0026738 k( 257) = ( -0.3449050 0.6550950 0.0909091), wk = 0.0026738 k( 258) = ( -0.3449050 0.6550950 0.1060606), wk = 0.0026738 k( 259) = ( -0.3449050 0.6550950 0.1212121), wk = 0.0026738 k( 260) = ( -0.3449050 0.6550950 0.1363636), wk = 0.0026738 k( 261) = ( -0.3449050 0.6550950 0.1515152), wk = 0.0026738 k( 262) = ( -0.3449050 0.6550950 0.1666667), wk = 0.0026738 k( 263) = ( -0.3449050 0.6550950 0.1818182), wk = 0.0026738 k( 264) = ( -0.3449050 0.6550950 0.1969697), wk = 0.0026738 k( 265) = ( -0.3449050 0.6550950 0.2121212), wk = 0.0026738 k( 266) = ( -0.3449050 0.6550950 0.2272727), wk = 0.0026738 k( 267) = ( -0.3449050 0.6550950 0.2424242), wk = 0.0026738 k( 268) = ( -0.3449050 0.6550950 0.2575758), wk = 0.0026738 k( 269) = ( -0.3449050 0.6550950 0.2727273), wk = 0.0026738 k( 270) = ( -0.3449050 0.6550950 0.2878788), wk = 0.0026738 k( 271) = ( -0.3449050 0.6550950 0.3030303), wk = 0.0026738 k( 272) = ( -0.3449050 0.6550950 0.3181818), wk = 0.0026738 k( 273) = ( -0.3449050 0.6550950 0.3333333), wk = 0.0026738 k( 274) = ( -0.3449050 0.6550950 0.3484849), wk = 0.0026738 k( 275) = ( -0.3449050 0.6550950 0.3636364), wk = 0.0026738 k( 276) = ( -0.3449050 0.6550950 0.3787879), wk = 0.0026738 k( 277) = ( -0.3449050 0.6550950 0.3939394), wk = 0.0026738 k( 278) = ( -0.3449050 0.6550950 0.4090909), wk = 0.0026738 k( 279) = ( -0.3449050 0.6550950 0.4242424), wk = 0.0026738 k( 280) = ( -0.3449050 0.6550950 0.4393939), wk = 0.0026738 k( 281) = ( -0.3449050 0.6550950 0.4545455), wk = 0.0026738 k( 282) = ( -0.3449050 0.6550950 0.4696970), wk = 0.0026738 k( 283) = ( -0.3449050 0.6550950 0.4848485), wk = 0.0026738 k( 284) = ( -0.3449050 0.6550950 0.5000000), wk = 0.0026738 k( 285) = ( -0.3449050 0.6550950 0.5000000), wk = 0.0026738 k( 286) = ( -0.3535214 0.6464786 0.5000000), wk = 0.0026738 k( 287) = ( -0.3621377 0.6378622 0.5000000), wk = 0.0026738 k( 288) = ( -0.3707541 0.6292459 0.5000000), wk = 0.0026738 k( 289) = ( -0.3793705 0.6206295 0.5000000), wk = 0.0026738 k( 290) = ( -0.3879869 0.6120131 0.5000000), wk = 0.0026738 k( 291) = ( -0.3966033 0.6033967 0.5000000), wk = 0.0026738 k( 292) = ( -0.4052197 0.5947803 0.5000000), wk = 0.0026738 k( 293) = ( -0.4138361 0.5861639 0.5000000), wk = 0.0026738 k( 294) = ( -0.4224525 0.5775475 0.5000000), wk = 0.0026738 k( 295) = ( -0.4310689 0.5689311 0.5000000), wk = 0.0026738 k( 296) = ( -0.4396853 0.5603147 0.5000000), wk = 0.0026738 k( 297) = ( -0.4483016 0.5516984 0.5000000), wk = 0.0026738 k( 298) = ( -0.4569181 0.5430819 0.5000000), wk = 0.0026738 k( 299) = ( -0.4655344 0.5344656 0.5000000), wk = 0.0026738 k( 300) = ( -0.4741508 0.5258492 0.5000000), wk = 0.0026738 k( 301) = ( -0.4827672 0.5172328 0.5000000), wk = 0.0026738 k( 302) = ( -0.4913836 0.5086164 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78245 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34677 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.32 Mb ( 96, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1628) G-vector shells 0.01 Mb ( 837) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.1 secs Computing kpt #: 2 total cpu time spent up to now is 45.7 secs Computing kpt #: 3 total cpu time spent up to now is 48.3 secs Computing kpt #: 4 total cpu time spent up to now is 50.8 secs Computing kpt #: 5 total cpu time spent up to now is 53.7 secs Computing kpt #: 6 total cpu time spent up to now is 56.2 secs Computing kpt #: 7 total cpu time spent up to now is 58.8 secs Computing kpt #: 8 total cpu time spent up to now is 61.3 secs Computing kpt #: 9 total cpu time spent up to now is 64.0 secs Computing kpt #: 10 total cpu time spent up to now is 66.4 secs Computing kpt #: 11 total cpu time spent up to now is 69.4 secs Computing kpt #: 12 total cpu time spent up to now is 71.8 secs Computing kpt #: 13 total cpu time spent up to now is 74.3 secs Computing kpt #: 14 total cpu time spent up to now is 76.8 secs Computing kpt #: 15 total cpu time spent up to now is 79.6 secs Computing kpt #: 16 total cpu time spent up to now is 83.2 secs Computing kpt #: 17 total cpu time spent up to now is 86.3 secs Computing kpt #: 18 total cpu time spent up to now is 89.0 secs Computing kpt #: 19 total cpu time spent up to now is 91.6 secs Computing kpt #: 20 total cpu time spent up to now is 94.2 secs Computing kpt #: 21 total cpu time spent up to now is 97.2 secs Computing kpt #: 22 total cpu time spent up to now is 100.0 secs Computing kpt #: 23 total cpu time spent up to now is 103.2 secs Computing kpt #: 24 total cpu time spent up to now is 106.3 secs Computing kpt #: 25 total cpu time spent up to now is 109.7 secs Computing kpt #: 26 total cpu time spent up to now is 112.7 secs Computing kpt #: 27 total cpu time spent up to now is 115.8 secs Computing kpt #: 28 total cpu time spent up to now is 118.8 secs Computing kpt #: 29 total cpu time spent up to now is 121.9 secs Computing kpt #: 30 total cpu time spent up to now is 124.8 secs Computing kpt #: 31 total cpu time spent up to now is 127.9 secs Computing kpt #: 32 total cpu time spent up to now is 131.0 secs Computing kpt #: 33 total cpu time spent up to now is 134.1 secs Computing kpt #: 34 total cpu time spent up to now is 137.2 secs Computing kpt #: 35 total cpu time spent up to now is 140.7 secs Computing kpt #: 36 total cpu time spent up to now is 144.7 secs Computing kpt #: 37 total cpu time spent up to now is 148.5 secs Computing kpt #: 38 total cpu time spent up to now is 152.6 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.1 secs Computing kpt #: 40 total cpu time spent up to now is 161.4 secs Computing kpt #: 41 total cpu time spent up to now is 164.3 secs Computing kpt #: 42 total cpu time spent up to now is 167.3 secs Computing kpt #: 43 total cpu time spent up to now is 170.7 secs Computing kpt #: 44 total cpu time spent up to now is 173.9 secs Computing kpt #: 45 total cpu time spent up to now is 177.1 secs Computing kpt #: 46 total cpu time spent up to now is 180.3 secs Computing kpt #: 47 total cpu time spent up to now is 183.5 secs Computing kpt #: 48 total cpu time spent up to now is 186.7 secs Computing kpt #: 49 total cpu time spent up to now is 190.5 secs Computing kpt #: 50 total cpu time spent up to now is 193.8 secs Computing kpt #: 51 total cpu time spent up to now is 197.1 secs Computing kpt #: 52 total cpu time spent up to now is 200.6 secs Computing kpt #: 53 total cpu time spent up to now is 204.0 secs Computing kpt #: 54 total cpu time spent up to now is 207.2 secs Computing kpt #: 55 total cpu time spent up to now is 210.3 secs Computing kpt #: 56 total cpu time spent up to now is 213.4 secs Computing kpt #: 57 total cpu time spent up to now is 216.0 secs Computing kpt #: 58 total cpu time spent up to now is 218.8 secs Computing kpt #: 59 total cpu time spent up to now is 221.4 secs Computing kpt #: 60 total cpu time spent up to now is 224.0 secs Computing kpt #: 61 total cpu time spent up to now is 226.6 secs Computing kpt #: 62 total cpu time spent up to now is 229.1 secs Computing kpt #: 63 total cpu time spent up to now is 231.6 secs Computing kpt #: 64 total cpu time spent up to now is 234.0 secs Computing kpt #: 65 total cpu time spent up to now is 236.8 secs Computing kpt #: 66 total cpu time spent up to now is 240.1 secs Computing kpt #: 67 total cpu time spent up to now is 242.8 secs Computing kpt #: 68 total cpu time spent up to now is 245.6 secs Computing kpt #: 69 total cpu time spent up to now is 248.5 secs Computing kpt #: 70 total cpu time spent up to now is 251.5 secs Computing kpt #: 71 total cpu time spent up to now is 254.5 secs Computing kpt #: 72 total cpu time spent up to now is 257.5 secs Computing kpt #: 73 total cpu time spent up to now is 260.6 secs Computing kpt #: 74 total cpu time spent up to now is 263.8 secs Computing kpt #: 75 total cpu time spent up to now is 267.1 secs Computing kpt #: 76 total cpu time spent up to now is 270.7 secs Computing kpt #: 77 total cpu time spent up to now is 274.3 secs Computing kpt #: 78 total cpu time spent up to now is 279.1 secs Computing kpt #: 79 total cpu time spent up to now is 283.3 secs Computing kpt #: 80 total cpu time spent up to now is 287.7 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.4 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.9 secs Computing kpt #: 84 total cpu time spent up to now is 308.7 secs Computing kpt #: 85 total cpu time spent up to now is 312.6 secs Computing kpt #: 86 total cpu time spent up to now is 316.1 secs Computing kpt #: 87 total cpu time spent up to now is 319.1 secs Computing kpt #: 88 total cpu time spent up to now is 322.1 secs Computing kpt #: 89 total cpu time spent up to now is 325.2 secs Computing kpt #: 90 total cpu time spent up to now is 328.2 secs Computing kpt #: 91 total cpu time spent up to now is 330.9 secs Computing kpt #: 92 total cpu time spent up to now is 333.7 secs Computing kpt #: 93 total cpu time spent up to now is 336.5 secs Computing kpt #: 94 total cpu time spent up to now is 339.3 secs Computing kpt #: 95 total cpu time spent up to now is 342.2 secs Computing kpt #: 96 total cpu time spent up to now is 345.2 secs Computing kpt #: 97 total cpu time spent up to now is 349.2 secs Computing kpt #: 98 total cpu time spent up to now is 352.5 secs Computing kpt #: 99 total cpu time spent up to now is 356.5 secs Computing kpt #: 100 total cpu time spent up to now is 359.6 secs Computing kpt #: 101 total cpu time spent up to now is 362.8 secs Computing kpt #: 102 total cpu time spent up to now is 366.2 secs Computing kpt #: 103 total cpu time spent up to now is 369.7 secs Computing kpt #: 104 total cpu time spent up to now is 373.1 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.2 secs Computing kpt #: 106 total cpu time spent up to now is 383.1 secs Computing kpt #: 107 total cpu time spent up to now is 387.2 secs Computing kpt #: 108 total cpu time spent up to now is 390.6 secs Computing kpt #: 109 total cpu time spent up to now is 394.0 secs Computing kpt #: 110 total cpu time spent up to now is 397.3 secs Computing kpt #: 111 total cpu time spent up to now is 400.7 secs Computing kpt #: 112 total cpu time spent up to now is 403.9 secs Computing kpt #: 113 total cpu time spent up to now is 407.9 secs Computing kpt #: 114 total cpu time spent up to now is 411.2 secs Computing kpt #: 115 total cpu time spent up to now is 414.7 secs Computing kpt #: 116 total cpu time spent up to now is 418.1 secs Computing kpt #: 117 total cpu time spent up to now is 421.4 secs Computing kpt #: 118 total cpu time spent up to now is 426.2 secs Computing kpt #: 119 total cpu time spent up to now is 429.4 secs Computing kpt #: 120 total cpu time spent up to now is 432.8 secs Computing kpt #: 121 total cpu time spent up to now is 436.2 secs Computing kpt #: 122 total cpu time spent up to now is 439.5 secs Computing kpt #: 123 total cpu time spent up to now is 442.7 secs Computing kpt #: 124 total cpu time spent up to now is 446.0 secs Computing kpt #: 125 total cpu time spent up to now is 449.0 secs Computing kpt #: 126 total cpu time spent up to now is 452.3 secs Computing kpt #: 127 total cpu time spent up to now is 455.5 secs Computing kpt #: 128 total cpu time spent up to now is 458.6 secs Computing kpt #: 129 total cpu time spent up to now is 462.2 secs Computing kpt #: 130 total cpu time spent up to now is 465.5 secs Computing kpt #: 131 total cpu time spent up to now is 468.7 secs Computing kpt #: 132 total cpu time spent up to now is 472.0 secs Computing kpt #: 133 total cpu time spent up to now is 476.9 secs Computing kpt #: 134 total cpu time spent up to now is 480.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.2 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 490.1 secs Computing kpt #: 137 total cpu time spent up to now is 493.7 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 498.9 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.7 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.6 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.6 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.5 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.9 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 528.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 534.0 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 538.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.2 secs Computing kpt #: 148 total cpu time spent up to now is 547.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.7 secs Computing kpt #: 150 total cpu time spent up to now is 557.4 secs Computing kpt #: 151 total cpu time spent up to now is 561.8 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.9 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.0 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.9 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.8 secs Computing kpt #: 156 total cpu time spent up to now is 585.4 secs Computing kpt #: 157 total cpu time spent up to now is 587.7 secs Computing kpt #: 158 total cpu time spent up to now is 590.0 secs Computing kpt #: 159 total cpu time spent up to now is 592.4 secs Computing kpt #: 160 total cpu time spent up to now is 594.8 secs Computing kpt #: 161 total cpu time spent up to now is 597.1 secs Computing kpt #: 162 total cpu time spent up to now is 600.2 secs Computing kpt #: 163 total cpu time spent up to now is 603.0 secs Computing kpt #: 164 total cpu time spent up to now is 605.8 secs Computing kpt #: 165 total cpu time spent up to now is 609.6 secs Computing kpt #: 166 total cpu time spent up to now is 612.3 secs Computing kpt #: 167 total cpu time spent up to now is 615.2 secs Computing kpt #: 168 total cpu time spent up to now is 617.5 secs Computing kpt #: 169 total cpu time spent up to now is 620.1 secs Computing kpt #: 170 total cpu time spent up to now is 622.6 secs Computing kpt #: 171 total cpu time spent up to now is 625.3 secs Computing kpt #: 172 total cpu time spent up to now is 627.7 secs Computing kpt #: 173 total cpu time spent up to now is 630.3 secs Computing kpt #: 174 total cpu time spent up to now is 633.3 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 638.4 secs Computing kpt #: 176 total cpu time spent up to now is 642.4 secs Computing kpt #: 177 total cpu time spent up to now is 645.2 secs Computing kpt #: 178 total cpu time spent up to now is 647.9 secs Computing kpt #: 179 total cpu time spent up to now is 650.9 secs Computing kpt #: 180 total cpu time spent up to now is 653.8 secs Computing kpt #: 181 total cpu time spent up to now is 656.6 secs Computing kpt #: 182 total cpu time spent up to now is 659.4 secs Computing kpt #: 183 total cpu time spent up to now is 662.4 secs Computing kpt #: 184 total cpu time spent up to now is 665.4 secs Computing kpt #: 185 total cpu time spent up to now is 668.3 secs Computing kpt #: 186 total cpu time spent up to now is 671.3 secs Computing kpt #: 187 total cpu time spent up to now is 674.0 secs Computing kpt #: 188 total cpu time spent up to now is 676.4 secs Computing kpt #: 189 total cpu time spent up to now is 679.2 secs Computing kpt #: 190 total cpu time spent up to now is 682.8 secs Computing kpt #: 191 total cpu time spent up to now is 686.0 secs Computing kpt #: 192 total cpu time spent up to now is 688.4 secs Computing kpt #: 193 total cpu time spent up to now is 691.1 secs Computing kpt #: 194 total cpu time spent up to now is 693.6 secs Computing kpt #: 195 total cpu time spent up to now is 696.0 secs Computing kpt #: 196 total cpu time spent up to now is 698.5 secs Computing kpt #: 197 total cpu time spent up to now is 701.0 secs Computing kpt #: 198 total cpu time spent up to now is 703.5 secs Computing kpt #: 199 total cpu time spent up to now is 706.4 secs Computing kpt #: 200 total cpu time spent up to now is 709.0 secs Computing kpt #: 201 total cpu time spent up to now is 711.6 secs Computing kpt #: 202 total cpu time spent up to now is 714.2 secs Computing kpt #: 203 total cpu time spent up to now is 716.8 secs Computing kpt #: 204 total cpu time spent up to now is 720.2 secs Computing kpt #: 205 total cpu time spent up to now is 723.3 secs Computing kpt #: 206 total cpu time spent up to now is 725.8 secs Computing kpt #: 207 total cpu time spent up to now is 728.5 secs Computing kpt #: 208 total cpu time spent up to now is 731.4 secs Computing kpt #: 209 total cpu time spent up to now is 734.4 secs Computing kpt #: 210 total cpu time spent up to now is 737.1 secs Computing kpt #: 211 total cpu time spent up to now is 739.7 secs Computing kpt #: 212 total cpu time spent up to now is 742.7 secs Computing kpt #: 213 total cpu time spent up to now is 745.4 secs Computing kpt #: 214 total cpu time spent up to now is 748.2 secs Computing kpt #: 215 total cpu time spent up to now is 750.9 secs Computing kpt #: 216 total cpu time spent up to now is 754.0 secs Computing kpt #: 217 total cpu time spent up to now is 756.8 secs Computing kpt #: 218 total cpu time spent up to now is 759.7 secs Computing kpt #: 219 total cpu time spent up to now is 762.6 secs Computing kpt #: 220 total cpu time spent up to now is 765.6 secs Computing kpt #: 221 total cpu time spent up to now is 768.4 secs Computing kpt #: 222 total cpu time spent up to now is 771.3 secs Computing kpt #: 223 total cpu time spent up to now is 774.2 secs Computing kpt #: 224 total cpu time spent up to now is 777.0 secs Computing kpt #: 225 total cpu time spent up to now is 779.9 secs Computing kpt #: 226 total cpu time spent up to now is 783.0 secs Computing kpt #: 227 total cpu time spent up to now is 785.9 secs Computing kpt #: 228 total cpu time spent up to now is 788.9 secs Computing kpt #: 229 total cpu time spent up to now is 791.9 secs Computing kpt #: 230 total cpu time spent up to now is 794.8 secs Computing kpt #: 231 total cpu time spent up to now is 797.8 secs Computing kpt #: 232 total cpu time spent up to now is 800.9 secs Computing kpt #: 233 total cpu time spent up to now is 803.7 secs Computing kpt #: 234 total cpu time spent up to now is 806.7 secs Computing kpt #: 235 total cpu time spent up to now is 810.0 secs Computing kpt #: 236 total cpu time spent up to now is 813.6 secs Computing kpt #: 237 total cpu time spent up to now is 817.2 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 822.8 secs Computing kpt #: 239 total cpu time spent up to now is 826.5 secs Computing kpt #: 240 total cpu time spent up to now is 830.4 secs Computing kpt #: 241 total cpu time spent up to now is 833.5 secs Computing kpt #: 242 total cpu time spent up to now is 836.6 secs Computing kpt #: 243 total cpu time spent up to now is 839.7 secs Computing kpt #: 244 total cpu time spent up to now is 842.7 secs Computing kpt #: 245 total cpu time spent up to now is 845.6 secs Computing kpt #: 246 total cpu time spent up to now is 848.5 secs Computing kpt #: 247 total cpu time spent up to now is 851.3 secs Computing kpt #: 248 total cpu time spent up to now is 853.9 secs Computing kpt #: 249 total cpu time spent up to now is 856.5 secs Computing kpt #: 250 total cpu time spent up to now is 859.3 secs Computing kpt #: 251 total cpu time spent up to now is 862.0 secs Computing kpt #: 252 total cpu time spent up to now is 864.7 secs Computing kpt #: 253 total cpu time spent up to now is 867.8 secs Computing kpt #: 254 total cpu time spent up to now is 870.9 secs Computing kpt #: 255 total cpu time spent up to now is 874.2 secs Computing kpt #: 256 total cpu time spent up to now is 877.8 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 883.8 secs Computing kpt #: 258 total cpu time spent up to now is 887.5 secs Computing kpt #: 259 total cpu time spent up to now is 891.8 secs Computing kpt #: 260 total cpu time spent up to now is 895.4 secs Computing kpt #: 261 total cpu time spent up to now is 898.1 secs Computing kpt #: 262 total cpu time spent up to now is 901.0 secs Computing kpt #: 263 total cpu time spent up to now is 903.5 secs Computing kpt #: 264 total cpu time spent up to now is 905.9 secs Computing kpt #: 265 total cpu time spent up to now is 909.0 secs Computing kpt #: 266 total cpu time spent up to now is 911.4 secs Computing kpt #: 267 total cpu time spent up to now is 914.0 secs Computing kpt #: 268 total cpu time spent up to now is 916.8 secs Computing kpt #: 269 total cpu time spent up to now is 919.6 secs Computing kpt #: 270 total cpu time spent up to now is 922.2 secs Computing kpt #: 271 total cpu time spent up to now is 925.1 secs Computing kpt #: 272 total cpu time spent up to now is 927.6 secs Computing kpt #: 273 total cpu time spent up to now is 930.2 secs Computing kpt #: 274 total cpu time spent up to now is 933.2 secs Computing kpt #: 275 total cpu time spent up to now is 935.7 secs Computing kpt #: 276 total cpu time spent up to now is 938.2 secs Computing kpt #: 277 total cpu time spent up to now is 940.9 secs Computing kpt #: 278 total cpu time spent up to now is 943.3 secs Computing kpt #: 279 total cpu time spent up to now is 945.9 secs Computing kpt #: 280 total cpu time spent up to now is 948.6 secs Computing kpt #: 281 total cpu time spent up to now is 951.4 secs Computing kpt #: 282 total cpu time spent up to now is 954.5 secs Computing kpt #: 283 total cpu time spent up to now is 957.6 secs Computing kpt #: 284 total cpu time spent up to now is 960.9 secs Computing kpt #: 285 total cpu time spent up to now is 964.5 secs Computing kpt #: 286 total cpu time spent up to now is 968.0 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 973.6 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 979.0 secs Computing kpt #: 289 total cpu time spent up to now is 984.2 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.4 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.7 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.0 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.2 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.4 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.0 secs Computing kpt #: 296 total cpu time spent up to now is 1019.5 secs Computing kpt #: 297 total cpu time spent up to now is 1023.0 secs Computing kpt #: 298 total cpu time spent up to now is 1026.5 secs Computing kpt #: 299 total cpu time spent up to now is 1030.2 secs Computing kpt #: 300 total cpu time spent up to now is 1033.8 secs Computing kpt #: 301 total cpu time spent up to now is 1036.1 secs Computing kpt #: 302 total cpu time spent up to now is 1038.4 secs Computing kpt #: 303 total cpu time spent up to now is 1040.7 secs Computing kpt #: 304 total cpu time spent up to now is 1042.9 secs Computing kpt #: 305 total cpu time spent up to now is 1046.0 secs Computing kpt #: 306 total cpu time spent up to now is 1049.1 secs Computing kpt #: 307 total cpu time spent up to now is 1052.3 secs Computing kpt #: 308 total cpu time spent up to now is 1055.2 secs Computing kpt #: 309 total cpu time spent up to now is 1058.1 secs Computing kpt #: 310 total cpu time spent up to now is 1061.9 secs Computing kpt #: 311 total cpu time spent up to now is 1065.3 secs Computing kpt #: 312 total cpu time spent up to now is 1068.1 secs Computing kpt #: 313 total cpu time spent up to now is 1070.7 secs Computing kpt #: 314 total cpu time spent up to now is 1073.4 secs Computing kpt #: 315 total cpu time spent up to now is 1076.4 secs Computing kpt #: 316 total cpu time spent up to now is 1079.1 secs Computing kpt #: 317 total cpu time spent up to now is 1081.7 secs Computing kpt #: 318 total cpu time spent up to now is 1084.0 secs Computing kpt #: 319 total cpu time spent up to now is 1086.5 secs Computing kpt #: 320 total cpu time spent up to now is 1089.2 secs Computing kpt #: 321 total cpu time spent up to now is 1091.9 secs Computing kpt #: 322 total cpu time spent up to now is 1094.6 secs Computing kpt #: 323 total cpu time spent up to now is 1097.6 secs Computing kpt #: 324 total cpu time spent up to now is 1100.6 secs Computing kpt #: 325 total cpu time spent up to now is 1103.5 secs Computing kpt #: 326 total cpu time spent up to now is 1107.4 secs Computing kpt #: 327 total cpu time spent up to now is 1112.7 secs Computing kpt #: 328 total cpu time spent up to now is 1117.1 secs Computing kpt #: 329 total cpu time spent up to now is 1120.6 secs Computing kpt #: 330 total cpu time spent up to now is 1124.8 secs Computing kpt #: 331 total cpu time spent up to now is 1128.2 secs Computing kpt #: 332 total cpu time spent up to now is 1131.1 secs Computing kpt #: 333 total cpu time spent up to now is 1134.2 secs Computing kpt #: 334 total cpu time spent up to now is 1137.4 secs Computing kpt #: 335 total cpu time spent up to now is 1140.5 secs Computing kpt #: 336 total cpu time spent up to now is 1143.9 secs Computing kpt #: 337 total cpu time spent up to now is 1147.7 secs Computing kpt #: 338 total cpu time spent up to now is 1150.0 secs Computing kpt #: 339 total cpu time spent up to now is 1153.5 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1159.0 secs Computing kpt #: 341 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1164.0 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1169.4 secs Computing kpt #: 343 total cpu time spent up to now is 1173.1 secs Computing kpt #: 344 total cpu time spent up to now is 1176.7 secs Computing kpt #: 345 total cpu time spent up to now is 1180.2 secs Computing kpt #: 346 total cpu time spent up to now is 1184.0 secs Computing kpt #: 347 total cpu time spent up to now is 1187.5 secs Computing kpt #: 348 total cpu time spent up to now is 1191.4 secs Computing kpt #: 349 total cpu time spent up to now is 1194.9 secs Computing kpt #: 350 total cpu time spent up to now is 1198.8 secs Computing kpt #: 351 total cpu time spent up to now is 1202.4 secs Computing kpt #: 352 total cpu time spent up to now is 1205.9 secs Computing kpt #: 353 total cpu time spent up to now is 1209.6 secs Computing kpt #: 354 total cpu time spent up to now is 1213.4 secs Computing kpt #: 355 total cpu time spent up to now is 1216.9 secs Computing kpt #: 356 total cpu time spent up to now is 1220.2 secs Computing kpt #: 357 total cpu time spent up to now is 1224.1 secs Computing kpt #: 358 total cpu time spent up to now is 1227.5 secs Computing kpt #: 359 total cpu time spent up to now is 1230.7 secs Computing kpt #: 360 total cpu time spent up to now is 1234.2 secs Computing kpt #: 361 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1239.8 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1244.9 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1250.0 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1255.1 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1260.3 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1265.7 secs Computing kpt #: 367 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1270.7 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1275.6 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.6 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1288.1 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1293.2 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1298.5 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1304.0 secs Computing kpt #: 374 total cpu time spent up to now is 1306.7 secs ethr = 2.08E-11, avg # of iterations = 55.9 total cpu time spent up to now is 1306.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4315 PWs) bands (ev): -13.6106 -13.6106 -13.0266 -13.0266 -10.8459 -10.8459 -9.1027 -9.1027 -9.0738 -9.0738 -8.9310 -8.9310 -3.5637 -3.5637 -3.1735 -3.1735 -2.8633 -2.8633 -0.7962 -0.7962 -0.1551 -0.1551 0.0354 0.0354 0.4049 0.4049 0.9396 0.9396 1.4581 1.4581 2.3405 2.3405 2.8440 2.8440 3.3046 3.3046 3.5155 3.5155 3.7376 3.7376 3.9313 3.9313 4.3952 4.3952 4.5237 4.5237 5.4278 5.4278 10.6966 10.6966 11.9666 11.9666 12.0476 12.0476 12.9672 12.9672 13.5216 13.5216 k = 0.0086 0.0140-0.0000 ( 4319 PWs) bands (ev): -13.6103 -13.6103 -13.0266 -13.0266 -10.8453 -10.8453 -9.1472 -9.1427 -9.0360 -9.0309 -8.9307 -8.9304 -3.5667 -3.5667 -3.1680 -3.1675 -2.8625 -2.8623 -0.7961 -0.7956 -0.1564 -0.1560 0.0344 0.0346 0.3988 0.4006 0.9468 0.9493 1.4565 1.4572 2.3384 2.3392 2.8435 2.8442 3.3026 3.3034 3.5157 3.5157 3.7344 3.7353 3.9305 3.9313 4.3954 4.3955 4.5232 4.5235 5.4271 5.4274 10.6996 10.6996 11.9687 11.9689 12.0481 12.0483 12.9675 12.9678 13.5209 13.5217 k = 0.0172 0.0280-0.0000 ( 4319 PWs) bands (ev): -13.6092 -13.6092 -13.0267 -13.0267 -10.8436 -10.8435 -9.2029 -9.1985 -8.9864 -8.9808 -8.9296 -8.9290 -3.5750 -3.5749 -3.1517 -3.1506 -2.8596 -2.8592 -0.7955 -0.7945 -0.1599 -0.1591 0.0315 0.0320 0.3838 0.3872 0.9700 0.9747 1.4527 1.4540 2.3330 2.3347 2.8429 2.8443 3.2975 3.2990 3.5163 3.5163 3.7259 3.7275 3.9288 3.9305 4.3960 4.3962 4.5222 4.5227 5.4253 5.4259 10.7086 10.7086 11.9752 11.9756 12.0500 12.0505 12.9687 12.9692 13.5192 13.5208 k = 0.0259 0.0420-0.0000 ( 4307 PWs) bands (ev): -13.6075 -13.6075 -13.0269 -13.0269 -10.8407 -10.8406 -9.2607 -9.2565 -8.9386 -8.9325 -8.9273 -8.9268 -3.5871 -3.5871 -3.1259 -3.1245 -2.8549 -2.8543 -0.7945 -0.7930 -0.1656 -0.1645 0.0264 0.0272 0.3635 0.3679 1.0062 1.0126 1.4464 1.4485 2.3242 2.3267 2.8420 2.8441 3.2894 3.2918 3.5172 3.5173 3.7119 3.7143 3.9264 3.9287 4.3970 4.3973 4.5205 4.5213 5.4224 5.4233 10.7236 10.7236 11.9859 11.9866 12.0532 12.0539 12.9707 12.9715 13.5157 13.5180 k = 0.0345 0.0560-0.0000 ( 4311 PWs) bands (ev): -13.6051 -13.6051 -13.0271 -13.0271 -10.8366 -10.8365 -9.3201 -9.3161 -8.9251 -8.9237 -8.8923 -8.8864 -3.6014 -3.6013 -3.0925 -3.0908 -2.8482 -2.8473 -0.7935 -0.7914 -0.1736 -0.1721 0.0186 0.0197 0.3419 0.3468 1.0523 1.0599 1.4378 1.4405 2.3122 2.3154 2.8407 2.8436 3.2788 3.2820 3.5186 3.5187 3.6927 3.6957 3.9231 3.9261 4.3985 4.3989 4.5181 4.5191 5.4184 5.4197 10.7443 10.7444 12.0007 12.0017 12.0576 12.0585 12.9737 12.9748 13.5088 13.5118 k = 0.0431 0.0700-0.0000 ( 4307 PWs) bands (ev): -13.6021 -13.6020 -13.0274 -13.0274 -10.8313 -10.8313 -9.3808 -9.3770 -8.9214 -8.9198 -8.8491 -8.8429 -3.6163 -3.6161 -3.0532 -3.0511 -2.8395 -2.8385 -0.7926 -0.7900 -0.1839 -0.1819 0.0076 0.0092 0.3224 0.3274 1.1053 1.1138 1.4268 1.4301 2.2967 2.3007 2.8390 2.8428 3.2661 3.2701 3.5203 3.5205 3.6683 3.6719 3.9191 3.9226 4.4004 4.4009 4.5148 4.5160 5.4136 5.4152 10.7707 10.7708 12.0195 12.0207 12.0631 12.0643 12.9777 12.9790 13.4972 13.5006 k = 0.0517 0.0840-0.0000 ( 4311 PWs) bands (ev): -13.5983 -13.5983 -13.0277 -13.0277 -10.8249 -10.8248 -9.4426 -9.4390 -8.9170 -8.9151 -8.8086 -8.8021 -3.6308 -3.6304 -3.0090 -3.0067 -2.8289 -2.8277 -0.7926 -0.7893 -0.1964 -0.1941 -0.0064 -0.0045 0.3075 0.3123 1.1631 1.1724 1.4133 1.4173 2.2780 2.2827 2.8367 2.8413 3.2518 3.2566 3.5225 3.5227 3.6390 3.6429 3.9141 3.9182 4.4028 4.4034 4.5105 4.5119 5.4078 5.4098 10.8025 10.8026 12.0419 12.0434 12.0698 12.0712 12.9828 12.9842 13.4797 13.4835 k = 0.0604 0.0980-0.0000 ( 4303 PWs) bands (ev): -13.5940 -13.5939 -13.0281 -13.0281 -10.8173 -10.8172 -9.5053 -9.5020 -8.9118 -8.9096 -8.7709 -8.7642 -3.6438 -3.6433 -2.9612 -2.9586 -2.8164 -2.8150 -0.7939 -0.7899 -0.2113 -0.2086 -0.0227 -0.0205 0.2984 0.3030 1.2243 1.2341 1.3974 1.4020 2.2558 2.2612 2.8336 2.8392 3.2365 3.2422 3.5250 3.5254 3.6050 3.6091 3.9084 3.9128 4.4057 4.4063 4.5051 4.5066 5.4013 5.4036 10.8394 10.8396 12.0677 12.0695 12.0774 12.0790 12.9890 12.9905 13.4566 13.4604 k = 0.0690 0.1120-0.0000 ( 4305 PWs) bands (ev): -13.5890 -13.5889 -13.0286 -13.0286 -10.8085 -10.8084 -9.5688 -9.5656 -8.9058 -8.9033 -8.7362 -8.7292 -3.6548 -3.6541 -2.9103 -2.9076 -2.8019 -2.8003 -0.7972 -0.7926 -0.2285 -0.2254 -0.0400 -0.0376 0.2955 0.2998 1.2877 1.2978 1.3790 1.3841 2.2304 2.2363 2.8297 2.8363 3.2209 3.2275 3.5276 3.5283 3.5672 3.5711 3.9018 3.9066 4.4091 4.4098 4.4982 4.4999 5.3941 5.3967 10.8812 10.8814 12.0855 12.0876 12.0967 12.0987 12.9963 12.9979 13.4288 13.4326 k = 0.0776 0.1260-0.0000 ( 4301 PWs) bands (ev): -13.5833 -13.5833 -13.0291 -13.0291 -10.7985 -10.7984 -9.6328 -9.6299 -8.8991 -8.8963 -8.7045 -8.6973 -3.6635 -3.6626 -2.8571 -2.8542 -2.7856 -2.7838 -0.8033 -0.7980 -0.2481 -0.2446 -0.0563 -0.0539 0.2984 0.3024 1.3522 1.3565 1.3639 1.3645 2.2017 2.2081 2.8247 2.8324 3.2055 3.2129 3.5185 3.5239 3.5369 3.5374 3.8944 3.8995 4.4130 4.4137 4.4899 4.4916 5.3863 5.3892 10.9275 10.9277 12.0946 12.0969 12.1284 12.1308 13.0048 13.0064 13.3982 13.4019 k = 0.0862 0.1399-0.0000 ( 4291 PWs) bands (ev): -13.5771 -13.5771 -13.0297 -13.0297 -10.7873 -10.7872 -9.6973 -9.6946 -8.8916 -8.8885 -8.6759 -8.6685 -3.6695 -3.6685 -2.8019 -2.7988 -2.7673 -2.7653 -0.8129 -0.8068 -0.2701 -0.2663 -0.0699 -0.0675 0.3064 0.3102 1.3342 1.3405 1.4181 1.4290 2.1699 2.1767 2.8186 2.8273 3.1908 3.1990 3.4753 3.4807 3.5384 3.5388 3.8862 3.8915 4.4174 4.4182 4.4798 4.4815 5.3780 5.3811 10.9778 10.9782 12.1040 12.1066 12.1628 12.1655 13.0144 13.0159 13.3666 13.3700 k = 0.0948 0.1539-0.0000 ( 4299 PWs) bands (ev): -13.5704 -13.5703 -13.0303 -13.0303 -10.7749 -10.7748 -9.7621 -9.7596 -8.8835 -8.8801 -8.6505 -8.6429 -3.6727 -3.6715 -2.7472 -2.7452 -2.7451 -2.7417 -0.8263 -0.8196 -0.2946 -0.2904 -0.0792 -0.0770 0.3190 0.3227 1.3079 1.3148 1.4839 1.4950 2.1350 2.1423 2.8112 2.8210 3.1772 3.1861 3.4261 3.4315 3.5435 3.5437 3.8772 3.8827 4.4223 4.4232 4.4678 4.4696 5.3691 5.3725 11.0320 11.0324 12.1136 12.1165 12.1995 12.2026 13.0250 13.0262 13.3356 13.3387 k = 0.1035 0.1679-0.0000 ( 4303 PWs) bands (ev): -13.5631 -13.5630 -13.0310 -13.0310 -10.7613 -10.7611 -9.8270 -9.8247 -8.8746 -8.8710 -8.6282 -8.6205 -3.6731 -3.6718 -2.7251 -2.7228 -2.6873 -2.6839 -0.8439 -0.8366 -0.3216 -0.3170 -0.0832 -0.0813 0.3356 0.3393 1.2789 1.2862 1.5496 1.5609 2.0973 2.1049 2.8026 2.8134 3.1648 3.1744 3.3741 3.3795 3.5496 3.5497 3.8673 3.8731 4.4279 4.4288 4.4538 4.4556 5.3596 5.3634 11.0894 11.0900 12.1233 12.1265 12.2386 12.2420 13.0361 13.0368 13.3069 13.3095 k = 0.1121 0.1819-0.0000 ( 4299 PWs) bands (ev): -13.5552 -13.5552 -13.0318 -13.0317 -10.7465 -10.7463 -9.8920 -9.8898 -8.8652 -8.8612 -8.6091 -8.6012 -3.6707 -3.6692 -2.7012 -2.6987 -2.6285 -2.6251 -0.8656 -0.8577 -0.3512 -0.3462 -0.0814 -0.0796 0.3559 0.3596 1.2470 1.2547 1.6149 1.6263 2.0571 2.0650 2.7928 2.8044 3.1538 3.1639 3.3202 3.3257 3.5567 3.5568 3.8567 3.8627 4.4340 4.4348 4.4380 4.4396 5.3497 5.3537 11.1498 11.1505 12.1328 12.1364 12.2798 12.2837 13.0471 13.0471 13.2820 13.2838 k = 0.1207 0.1959-0.0000 ( 4297 PWs) bands (ev): -13.5469 -13.5468 -13.0325 -13.0325 -10.7304 -10.7302 -9.9568 -9.9548 -8.8551 -8.8508 -8.5931 -8.5851 -3.6655 -3.6639 -2.6755 -2.6727 -2.5690 -2.5656 -0.8909 -0.8826 -0.3833 -0.3780 -0.0736 -0.0720 0.3796 0.3835 1.2122 1.2203 1.6794 1.6910 2.0145 2.0227 2.7818 2.7943 3.1436 3.1540 3.2654 3.2712 3.5647 3.5648 3.8454 3.8516 4.4195 4.4214 4.4408 4.4420 5.3391 5.3434 11.2127 11.2134 12.1419 12.1459 12.3233 12.3275 13.0557 13.0568 13.2626 13.2634 k = 0.1293 0.2099-0.0000 ( 4305 PWs) bands (ev): -13.5382 -13.5381 -13.0334 -13.0333 -10.7131 -10.7129 -10.0215 -10.0196 -8.8445 -8.8399 -8.5802 -8.5720 -3.6578 -3.6560 -2.6479 -2.6449 -2.5092 -2.5057 -0.9194 -0.9108 -0.4180 -0.4123 -0.0602 -0.0588 0.4067 0.4107 1.1744 1.1828 1.7429 1.7546 1.9699 1.9784 2.7698 2.7830 3.1323 3.1423 3.2124 3.2188 3.5739 3.5739 3.8334 3.8398 4.3992 4.4011 4.4483 4.4495 5.3279 5.3325 11.2776 11.2785 12.1505 12.1548 12.3690 12.3735 13.0610 13.0635 13.2502 13.2507 k = 0.1380 0.2239-0.0000 ( 4297 PWs) bands (ev): -13.5290 -13.5289 -13.0342 -13.0342 -10.6946 -10.6943 -10.0858 -10.0840 -8.8333 -8.8285 -8.5703 -8.5620 -3.6475 -3.6457 -2.6185 -2.6154 -2.4492 -2.4456 -0.9503 -0.9414 -0.4553 -0.4492 -0.0417 -0.0403 0.4370 0.4411 1.1334 1.1422 1.8052 1.8170 1.9238 1.9324 2.7570 2.7707 3.1116 3.1196 3.1697 3.1784 3.5842 3.5843 3.8207 3.8273 4.3769 4.3787 4.4565 4.4577 5.3160 5.3208 11.3441 11.3452 12.1584 12.1631 12.4170 12.4219 13.0615 13.0653 13.2463 13.2480 k = 0.1466 0.2379-0.0000 ( 4299 PWs) bands (ev): -13.5194 -13.5193 -13.0351 -13.0351 -10.6747 -10.6744 -10.1496 -10.1480 -8.8217 -8.8166 -8.5632 -8.5549 -3.6351 -3.6332 -2.5874 -2.5840 -2.3892 -2.3856 -0.9828 -0.9737 -0.4951 -0.4887 -0.0188 -0.0174 0.4704 0.4747 1.0893 1.0984 1.8658 1.8765 1.8778 1.8853 2.7434 2.7575 3.0695 3.0756 3.1496 3.1604 3.5958 3.5958 3.8074 3.8141 4.3526 4.3544 4.4653 4.4666 5.3032 5.3083 11.4119 11.4131 12.1653 12.1705 12.4674 12.4727 13.0569 13.0618 13.2522 13.2549 k = 0.1552 0.2519-0.0000 ( 4303 PWs) bands (ev): -13.5095 -13.5094 -13.0361 -13.0361 -10.6537 -10.6533 -10.2129 -10.2115 -8.8097 -8.8044 -8.5589 -8.5505 -3.6207 -3.6188 -2.5544 -2.5509 -2.3295 -2.3259 -1.0161 -1.0068 -0.5375 -0.5308 0.0080 0.0093 0.5070 0.5115 1.0418 1.0512 1.8280 1.8371 1.9253 1.9373 2.7291 2.7436 3.0161 3.0218 3.1424 3.1538 3.6087 3.6088 3.7935 3.8004 4.3264 4.3282 4.4750 4.4763 5.2895 5.2948 11.4804 11.4818 12.1714 12.1770 12.5202 12.5260 13.0485 13.0538 13.2668 13.2699 k = 0.1638 0.2659-0.0000 ( 4303 PWs) bands (ev): -13.4993 -13.4992 -13.0371 -13.0370 -10.6313 -10.6309 -10.2756 -10.2743 -8.7973 -8.7917 -8.5573 -8.5489 -3.6046 -3.6027 -2.5198 -2.5160 -2.2701 -2.2666 -1.0495 -1.0402 -0.5823 -0.5753 0.0378 0.0392 0.5467 0.5515 0.9911 1.0006 1.7793 1.7886 1.9828 1.9949 2.7142 2.7290 2.9604 2.9660 3.1395 3.1509 3.6231 3.6232 3.7792 3.7862 4.2985 4.3003 4.4854 4.4868 5.2748 5.2803 11.5493 11.5509 12.1764 12.1824 12.5755 12.5817 13.0382 13.0436 13.2881 13.2913 k = 0.1725 0.2799-0.0000 ( 4301 PWs) bands (ev): -13.4888 -13.4887 -13.0381 -13.0380 -10.6077 -10.6072 -10.3376 -10.3363 -8.7846 -8.7788 -8.5581 -8.5497 -3.5872 -3.5852 -2.4834 -2.4795 -2.2113 -2.2078 -1.0824 -1.0730 -0.6295 -0.6222 0.0702 0.0716 0.5895 0.5946 0.9369 0.9466 1.7304 1.7399 2.0384 2.0506 2.6987 2.7136 2.9050 2.9106 3.1384 3.1498 3.6389 3.6391 3.7644 3.7716 4.2690 4.2707 4.4966 4.4980 5.2590 5.2647 11.6183 11.6201 12.1804 12.1869 12.6331 12.6398 13.0276 13.0328 13.3142 13.3172 k = 0.1811 0.2939-0.0000 ( 4305 PWs) bands (ev): -13.4781 -13.4780 -13.0391 -13.0390 -10.5827 -10.5823 -10.3987 -10.3976 -8.7718 -8.7657 -8.5613 -8.5529 -3.5686 -3.5667 -2.4454 -2.4413 -2.1533 -2.1499 -1.1141 -1.1048 -0.6790 -0.6714 0.1044 0.1060 0.6354 0.6407 0.8793 0.8891 1.6817 1.6914 2.0921 2.1043 2.6823 2.6971 2.8513 2.8568 3.1384 3.1497 3.6564 3.6566 3.7493 3.7566 4.2380 4.2397 4.5087 4.5102 5.2420 5.2479 11.6871 11.6890 12.1835 12.1904 12.6923 12.6997 13.0185 13.0232 13.3437 13.3465 k = 0.1897 0.3079-0.0000 ( 4317 PWs) bands (ev): -13.4672 -13.4671 -13.0401 -13.0401 -10.5565 -10.5560 -10.4589 -10.4579 -8.7588 -8.7524 -8.5666 -8.5582 -3.5494 -3.5475 -2.4057 -2.4015 -2.0962 -2.0928 -1.1443 -1.1350 -0.7305 -0.7227 0.1401 0.1418 0.6843 0.6899 0.8182 0.8281 1.6335 1.6434 2.1438 2.1560 2.6646 2.6790 2.8005 2.8057 3.1391 3.1501 3.6753 3.6758 3.7340 3.7414 4.2057 4.2074 4.5216 4.5231 5.2238 5.2299 11.7553 11.7575 12.1856 12.1930 12.7518 12.7600 13.0128 13.0167 13.3756 13.3780 k = 0.1983 0.3219-0.0000 ( 4317 PWs) bands (ev): -13.4561 -13.4560 -13.0411 -13.0411 -10.5291 -10.5285 -10.5181 -10.5172 -8.7457 -8.7391 -8.5739 -8.5656 -3.5298 -3.5279 -2.3645 -2.3601 -2.0402 -2.0369 -1.1724 -1.1632 -0.7840 -0.7759 0.1768 0.1786 0.7362 0.7421 0.7538 0.7637 1.5861 1.5961 2.1934 2.2057 2.6444 2.6578 2.7546 2.7588 3.1400 3.1508 3.6951 3.6963 3.7195 3.7263 4.1722 4.1739 4.5355 4.5370 5.2043 5.2106 11.8229 11.8253 12.1869 12.1948 12.8081 12.8173 13.0141 13.0170 13.4091 13.4111 k = 0.2069 0.3359-0.0000 ( 4313 PWs) bands (ev): -13.4450 -13.4448 -13.0422 -13.0421 -10.5764 -10.5756 -10.5003 -10.4997 -8.7326 -8.7258 -8.5830 -8.5747 -3.5101 -3.5083 -2.3218 -2.3173 -1.9854 -1.9822 -1.1980 -1.1889 -0.8391 -0.8309 0.2142 0.2161 0.6861 0.6959 0.7908 0.7970 1.5397 1.5498 2.2409 2.2533 2.6201 2.6310 2.7162 2.7182 3.1410 3.1515 3.6997 3.7076 3.7219 3.7222 4.1378 4.1394 4.5502 4.5518 5.1836 5.1900 11.8896 11.8922 12.1875 12.1959 12.8541 12.8643 13.0296 13.0315 13.4435 13.4452 k = 0.2156 0.3499-0.0000 ( 4313 PWs) bands (ev): -13.4337 -13.4336 -13.0432 -13.0432 -10.6335 -10.6328 -10.4702 -10.4695 -8.7196 -8.7127 -8.5937 -8.5855 -3.4908 -3.4890 -2.2777 -2.2730 -1.9320 -1.9289 -1.2208 -1.2117 -0.8956 -0.8872 0.2518 0.2539 0.6151 0.6250 0.8480 0.8545 1.4943 1.5046 2.2865 2.2989 2.5899 2.5972 2.6857 2.6871 3.1418 3.1520 3.6854 3.6936 3.7450 3.7451 4.1025 4.1041 4.5658 4.5675 5.1616 5.1681 11.9552 11.9580 12.1877 12.1965 12.8815 12.8917 13.0673 13.0692 13.4783 13.4797 k = 0.2242 0.3639-0.0000 ( 4309 PWs) bands (ev): -13.4225 -13.4223 -13.0442 -13.0442 -10.6895 -10.6888 -10.4389 -10.4382 -8.7069 -8.6997 -8.6059 -8.5978 -3.4720 -3.4703 -2.2322 -2.2274 -1.8801 -1.8772 -1.2403 -1.2313 -0.9532 -0.9446 0.2895 0.2917 0.5412 0.5510 0.9076 0.9143 1.4501 1.4605 2.3300 2.3425 2.5542 2.5583 2.6612 2.6654 3.1422 3.1520 3.6701 3.6784 3.7710 3.7713 4.0666 4.0682 4.5824 4.5841 5.1383 5.1449 12.0197 12.0228 12.1874 12.1967 12.8918 12.9011 13.1255 13.1282 13.5130 13.5141 k = 0.2328 0.3779-0.0000 ( 4309 PWs) bands (ev): -13.4112 -13.4111 -13.0452 -13.0451 -10.7442 -10.7436 -10.4063 -10.4055 -8.6944 -8.6870 -8.6194 -8.6114 -3.4542 -3.4525 -2.1855 -2.1805 -1.8300 -1.8273 -1.2564 -1.2474 -1.0116 -1.0028 0.3269 0.3292 0.4645 0.4741 0.9693 0.9763 1.4071 1.4176 2.3718 2.3842 2.5156 2.5176 2.6423 2.6481 3.1419 3.1513 3.6549 3.6632 3.7990 3.7993 4.0302 4.0317 4.5998 4.6016 5.1138 5.1205 12.0829 12.0862 12.1869 12.1967 12.8927 12.9012 13.1959 13.1994 13.5469 13.5479 k = 0.2414 0.3919-0.0000 ( 4309 PWs) bands (ev): -13.4000 -13.3999 -13.0461 -13.0461 -10.7977 -10.7971 -10.3724 -10.3716 -8.6823 -8.6748 -8.6339 -8.6261 -3.4375 -3.4359 -2.1378 -2.1327 -1.7818 -1.7793 -1.2686 -1.2598 -1.0702 -1.0613 0.3638 0.3663 0.3852 0.3946 1.0329 1.0402 1.3653 1.3758 2.4118 2.4242 2.4761 2.4770 2.6268 2.6335 3.1408 3.1497 3.6402 3.6485 3.8287 3.8292 3.9935 3.9949 4.6182 4.6200 5.0882 5.0950 12.1445 12.1480 12.1865 12.1966 12.8896 12.8975 13.2726 13.2767 13.5600 13.5694 k = 0.2501 0.4058-0.0000 ( 4311 PWs) bands (ev): -13.3889 -13.3888 -13.0470 -13.0470 -10.8498 -10.8493 -10.3373 -10.3364 -8.6707 -8.6631 -8.6494 -8.6418 -3.4222 -3.4207 -2.0892 -2.0840 -1.7357 -1.7334 -1.2769 -1.2681 -1.1287 -1.1197 0.3036 0.3128 0.4001 0.4028 1.0980 1.1055 1.3245 1.3351 2.4373 2.4373 2.4502 2.4627 2.6135 2.6205 3.1386 3.1470 3.6261 3.6344 3.8602 3.8608 3.9566 3.9580 4.6375 4.6393 5.0614 5.0683 12.1857 12.1961 12.2046 12.2082 12.8852 12.8926 13.3524 13.3570 13.4941 13.5017 k = 0.2587 0.4198-0.0000 ( 4313 PWs) bands (ev): -13.3780 -13.3779 -13.0479 -13.0479 -10.9005 -10.9001 -10.3010 -10.3000 -8.6657 -8.6598 -8.6583 -8.6520 -3.4085 -3.4071 -2.0400 -2.0348 -1.6918 -1.6898 -1.2809 -1.2722 -1.1863 -1.1772 0.2199 0.2289 0.4354 0.4383 1.1643 1.1721 1.2847 1.2954 2.3993 2.3996 2.4872 2.4997 2.6019 2.6087 3.1351 3.1428 3.6128 3.6211 3.8933 3.8940 3.9198 3.9211 4.6576 4.6595 5.0338 5.0407 12.1854 12.1964 12.2617 12.2658 12.8808 12.8879 13.4230 13.4294 13.4338 13.4384 k = 0.2673 0.4338-0.0000 ( 4323 PWs) bands (ev): -13.3673 -13.3671 -13.0487 -13.0486 -10.9498 -10.9494 -10.2635 -10.2624 -8.6826 -8.6754 -8.6496 -8.6416 -3.3966 -3.3952 -1.9908 -1.9855 -1.6505 -1.6486 -1.2808 -1.2720 -1.2423 -1.2332 0.1345 0.1433 0.4697 0.4727 1.2313 1.2395 1.2458 1.2567 2.3629 2.3635 2.5229 2.5354 2.5915 2.5979 3.1301 3.1371 3.6004 3.6086 3.8830 3.8840 3.9282 3.9292 4.6785 4.6805 5.0052 5.0122 12.1853 12.1967 12.3161 12.3205 12.8774 12.8843 13.3500 13.3564 13.5127 13.5181 k = 0.2759 0.4478-0.0000 ( 4325 PWs) bands (ev): -13.3567 -13.3566 -13.0494 -13.0494 -10.9976 -10.9973 -10.2248 -10.2237 -8.7000 -8.6930 -8.6403 -8.6322 -3.3865 -3.3851 -1.9422 -1.9370 -1.6117 -1.6100 -1.2969 -1.2866 -1.2749 -1.2673 0.0476 0.0562 0.5027 0.5059 1.2074 1.2182 1.2993 1.3074 2.3284 2.3290 2.5574 2.5700 2.5823 2.5882 3.1234 3.1295 3.5892 3.5973 3.8468 3.8476 3.9644 3.9655 4.7002 4.7023 4.9759 4.9828 12.1853 12.1970 12.3665 12.3711 12.8764 12.8830 13.2762 13.2821 13.5879 13.5936 k = 0.2845 0.4618-0.0000 ( 4323 PWs) bands (ev): -13.3465 -13.3463 -13.0500 -13.0500 -11.0439 -11.0436 -10.1850 -10.1837 -8.7178 -8.7109 -8.6319 -8.6237 -3.3783 -3.3770 -1.8955 -1.8903 -1.5756 -1.5741 -1.3459 -1.3359 -1.2662 -1.2583 -0.0404 -0.0321 0.5343 0.5377 1.1696 1.1805 1.3672 1.3755 2.2957 2.2964 2.5732 2.5789 2.5922 2.6042 3.1148 3.1201 3.5792 3.5872 3.8111 3.8116 4.0021 4.0034 4.7225 4.7248 4.9459 4.9529 12.1855 12.1976 12.4117 12.4165 12.8789 12.8854 13.2029 13.2084 13.6522 13.6574 k = 0.2932 0.4758-0.0000 ( 4307 PWs) bands (ev): -13.3365 -13.3363 -13.0505 -13.0505 -11.0887 -11.0884 -10.1441 -10.1427 -8.7357 -8.7291 -8.6246 -8.6163 -3.3719 -3.3707 -1.8526 -1.8476 -1.5420 -1.5407 -1.3890 -1.3788 -1.2529 -1.2452 -0.1292 -0.1212 0.5643 0.5678 1.1321 1.1430 1.4349 1.4434 2.2649 2.2656 2.5661 2.5709 2.6251 2.6373 3.1044 3.1086 3.5705 3.5784 3.7761 3.7763 4.0412 4.0426 4.7455 4.7479 4.9154 4.9224 12.1859 12.1982 12.4500 12.4549 12.8868 12.8930 13.1310 13.1361 13.6975 13.7014 k = 0.3018 0.4898-0.0000 ( 4303 PWs) bands (ev): -13.3268 -13.3267 -13.0510 -13.0510 -11.1319 -11.1317 -10.1021 -10.1006 -8.7538 -8.7474 -8.6186 -8.6102 -3.3675 -3.3662 -1.8169 -1.8122 -1.5110 -1.5098 -1.4220 -1.4116 -1.2357 -1.2282 -0.2187 -0.2109 0.5926 0.5962 1.0946 1.1056 1.5020 1.5106 2.2361 2.2366 2.5596 2.5636 2.6578 2.6699 3.0919 3.0950 3.5632 3.5709 3.7418 3.7420 4.0815 4.0831 4.7691 4.7715 4.8846 4.8915 12.1862 12.1986 12.4801 12.4849 12.9014 12.9072 13.0616 13.0663 13.7269 13.7295 k = 0.3104 0.5038-0.0000 ( 4303 PWs) bands (ev): -13.3175 -13.3174 -13.0513 -13.0513 -11.1734 -11.1732 -10.0591 -10.0575 -8.7718 -8.7656 -8.6139 -8.6055 -3.3648 -3.3636 -1.7934 -1.7888 -1.4822 -1.4809 -1.4397 -1.4292 -1.2152 -1.2080 -0.3084 -0.3009 0.6190 0.6227 1.0569 1.0680 1.5683 1.5770 2.2090 2.2095 2.5540 2.5572 2.6902 2.7022 3.0774 3.0793 3.5571 3.5648 3.7082 3.7090 4.1229 4.1247 4.7931 4.7956 4.8535 4.8604 12.1862 12.1987 12.5007 12.5053 12.9239 12.9291 12.9955 12.9997 13.7480 13.7499 k = 0.3190 0.5178-0.0000 ( 4303 PWs) bands (ev): -13.3086 -13.3085 -13.0516 -13.0515 -11.2133 -11.2132 -10.0151 -10.0135 -8.7897 -8.7837 -8.6107 -8.6023 -3.3637 -3.3625 -1.7863 -1.7819 -1.4554 -1.4538 -1.4373 -1.4272 -1.1920 -1.1851 -0.3981 -0.3909 0.6433 0.6471 1.0189 1.0301 1.6333 1.6420 2.1839 2.1842 2.5493 2.5515 2.7223 2.7342 3.0610 3.0617 3.5522 3.5601 3.6757 3.6773 4.1655 4.1674 4.8173 4.8200 4.8224 4.8293 12.1856 12.1980 12.5121 12.5162 12.9331 12.9371 12.9543 12.9593 13.7645 13.7660 k = 0.3277 0.5318-0.0000 ( 4303 PWs) bands (ev): -13.3001 -13.3000 -13.0517 -13.0516 -11.2516 -11.2514 -9.9703 -9.9685 -8.8074 -8.8016 -8.6091 -8.6006 -3.3642 -3.3630 -1.7959 -1.7913 -1.4298 -1.4281 -1.4150 -1.4051 -1.1667 -1.1603 -0.4875 -0.4807 0.6656 0.6695 0.9803 0.9916 1.6966 1.7054 2.1605 2.1608 2.5454 2.5466 2.7543 2.7660 3.0423 3.0428 3.5481 3.5566 3.6445 3.6471 4.2090 4.2111 4.7913 4.7980 4.8419 4.8447 12.1840 12.1961 12.5152 12.5188 12.8763 12.8795 12.9914 12.9954 13.7778 13.7790 k = 0.3363 0.5458-0.0000 ( 4299 PWs) bands (ev): -13.2921 -13.2920 -13.0516 -13.0516 -11.2881 -11.2880 -9.9246 -9.9227 -8.8247 -8.8192 -8.6092 -8.6007 -3.3660 -3.3649 -1.8173 -1.8125 -1.4046 -1.4035 -1.3776 -1.3674 -1.1400 -1.1339 -0.5765 -0.5699 0.6858 0.6896 0.9409 0.9523 1.7581 1.7668 2.1390 2.1391 2.5423 2.5424 2.7863 2.7977 3.0214 3.0231 3.5445 3.5542 3.6146 3.6191 4.2533 4.2556 4.7605 4.7671 4.8664 4.8694 12.1809 12.1925 12.5115 12.5147 12.8253 12.8277 13.0337 13.0371 13.7194 13.7283 k = 0.3449 0.5598-0.0000 ( 4305 PWs) bands (ev): -13.2845 -13.2844 -13.0515 -13.0515 -11.3229 -11.3228 -9.8781 -9.8761 -8.8416 -8.8364 -8.6112 -8.6027 -3.3690 -3.3679 -1.8450 -1.8401 -1.3806 -1.3797 -1.3296 -1.3193 -1.1124 -1.1067 -0.6646 -0.6584 0.7037 0.7076 0.9006 0.9120 1.8174 1.8260 2.1192 2.1192 2.5390 2.5399 2.8181 2.8292 2.9990 3.0020 3.5400 3.5525 3.5864 3.5943 4.2983 4.3008 4.7301 4.7365 4.8909 4.8940 12.1756 12.1864 12.5028 12.5055 12.7812 12.7825 13.0797 13.0825 13.6303 13.6392 k = 0.3449 0.5598-0.0000 ( 4305 PWs) bands (ev): -13.2845 -13.2844 -13.0515 -13.0515 -11.3229 -11.3228 -9.8781 -9.8761 -8.8416 -8.8364 -8.6112 -8.6027 -3.3690 -3.3679 -1.8450 -1.8401 -1.3806 -1.3797 -1.3296 -1.3193 -1.1124 -1.1067 -0.6646 -0.6584 0.7037 0.7076 0.9006 0.9120 1.8174 1.8260 2.1192 2.1192 2.5390 2.5399 2.8181 2.8292 2.9990 3.0020 3.5400 3.5525 3.5864 3.5943 4.2983 4.3008 4.7301 4.7365 4.8909 4.8940 12.1756 12.1864 12.5028 12.5055 12.7812 12.7825 13.0797 13.0825 13.6303 13.6392 k = 0.3285 0.5598-0.0000 ( 4301 PWs) bands (ev): -13.2886 -13.2885 -13.0518 -13.0517 -11.3039 -11.3038 -9.9030 -9.9010 -8.8327 -8.8274 -8.6098 -8.6014 -3.3668 -3.3658 -1.8370 -1.8322 -1.3934 -1.3918 -1.3533 -1.3435 -1.1244 -1.1185 -0.6169 -0.6106 0.6936 0.6974 0.9235 0.9349 1.7855 1.7942 2.1303 2.1304 2.5391 2.5395 2.8013 2.8126 3.0120 3.0145 3.5422 3.5532 3.6008 3.6069 4.2748 4.2772 4.7455 4.7519 4.8793 4.8823 12.1791 12.1903 12.5063 12.5094 12.8027 12.8047 13.0556 13.0587 13.6660 13.6743 k = 0.3121 0.5598-0.0000 ( 4300 PWs) bands (ev): -13.2933 -13.2932 -13.0523 -13.0523 -11.2828 -11.2827 -9.9286 -9.9267 -8.8236 -8.8181 -8.6089 -8.6004 -3.3641 -3.3629 -1.8450 -1.8405 -1.4038 -1.4007 -1.3711 -1.3627 -1.1308 -1.1249 -0.5665 -0.5600 0.6811 0.6849 0.9491 0.9605 1.7510 1.7597 2.1437 2.1439 2.5354 2.5356 2.7855 2.7968 3.0264 3.0286 3.5434 3.5537 3.6151 3.6204 4.2524 4.2546 4.7589 4.7650 4.8714 4.8740 12.1832 12.1947 12.5058 12.5095 12.8237 12.8266 13.0334 13.0367 13.6771 13.6837 k = 0.2956 0.5598-0.0000 ( 4299 PWs) bands (ev): -13.2983 -13.2982 -13.0532 -13.0531 -11.2595 -11.2594 -9.9548 -9.9530 -8.8142 -8.8086 -8.6082 -8.5998 -3.3605 -3.3594 -1.8691 -1.8651 -1.4094 -1.4041 -1.3850 -1.3788 -1.1311 -1.1252 -0.5143 -0.5077 0.6667 0.6705 0.9773 0.9886 1.7140 1.7228 2.1592 2.1595 2.5267 2.5271 2.7723 2.7835 3.0416 3.0437 3.5437 3.5539 3.6284 3.6336 4.2316 4.2337 4.7683 4.7736 4.8692 4.8709 12.1886 12.2003 12.5020 12.5063 12.8422 12.8461 13.0137 13.0172 13.6741 13.6795 k = 0.2792 0.5598-0.0000 ( 4308 PWs) bands (ev): -13.3037 -13.3035 -13.0543 -13.0543 -11.2342 -11.2341 -9.9818 -9.9800 -8.8047 -8.7989 -8.6080 -8.5995 -3.3560 -3.3548 -1.9068 -1.9033 -1.4135 -1.4042 -1.3945 -1.3920 -1.1242 -1.1185 -0.4611 -0.4545 0.6508 0.6545 1.0078 1.0191 1.6747 1.6835 2.1765 2.1770 2.5125 2.5131 2.7627 2.7735 3.0572 3.0594 3.5430 3.5535 3.6402 3.6457 4.2131 4.2150 4.7720 4.7760 4.8741 4.8746 12.1956 12.2075 12.4958 12.5007 12.8554 12.8602 12.9978 13.0013 13.6682 13.6731 k = 0.2628 0.5598-0.0000 ( 4311 PWs) bands (ev): -13.3092 -13.3090 -13.0557 -13.0557 -11.2072 -11.2070 -10.0095 -10.0078 -8.7950 -8.7891 -8.6080 -8.5996 -3.3505 -3.3492 -1.9543 -1.9514 -1.4222 -1.4116 -1.3967 -1.3957 -1.1098 -1.1043 -0.4076 -0.4010 0.6338 0.6373 1.0404 1.0516 1.6334 1.6423 2.1954 2.1962 2.4927 2.4935 2.7570 2.7672 3.0730 3.0753 3.5411 3.5520 3.6501 3.6562 4.1975 4.1991 4.7702 4.7730 4.8844 4.8856 12.2046 12.2167 12.4883 12.4936 12.8604 12.8661 12.9870 12.9906 13.6647 13.6693 k = 0.2464 0.5598-0.0000 ( 4312 PWs) bands (ev): -13.3147 -13.3146 -13.0573 -13.0573 -11.1784 -11.1783 -10.0379 -10.0362 -8.7852 -8.7792 -8.6084 -8.6000 -3.3438 -3.3425 -2.0084 -2.0059 -1.4341 -1.4250 -1.3952 -1.3943 -1.0881 -1.0828 -0.3543 -0.3478 0.6163 0.6196 1.0749 1.0860 1.5903 1.5992 2.2155 2.2167 2.4678 2.4691 2.7548 2.7642 3.0888 3.0913 3.5378 3.5492 3.6577 3.6646 4.1851 4.1866 4.7649 4.7668 4.8987 4.9008 12.2158 12.2279 12.4802 12.4860 12.8559 12.8622 12.9814 12.9852 13.6656 13.6700 k = 0.2299 0.5598-0.0000 ( 4320 PWs) bands (ev): -13.3203 -13.3202 -13.0592 -13.0591 -11.1482 -11.1480 -10.0670 -10.0654 -8.7754 -8.7693 -8.6092 -8.6007 -3.3357 -3.3344 -2.0665 -2.0643 -1.4467 -1.4388 -1.3946 -1.3932 -1.0601 -1.0551 -0.3019 -0.2956 0.5987 0.6017 1.1110 1.1221 1.5456 1.5545 2.2361 2.2379 2.4393 2.4407 2.7553 2.7640 3.1044 3.1071 3.5325 3.5443 3.6632 3.6709 4.1762 4.1776 4.7580 4.7594 4.9153 4.9180 12.2291 12.2413 12.4724 12.4786 12.8435 12.8500 12.9786 12.9827 13.6719 13.6762 k = 0.2135 0.5598-0.0000 ( 4325 PWs) bands (ev): -13.3259 -13.3258 -13.0611 -13.0611 -11.1167 -11.1165 -10.0967 -10.0953 -8.7656 -8.7593 -8.6102 -8.6018 -3.3263 -3.3249 -2.1268 -2.1249 -1.4595 -1.4525 -1.3952 -1.3936 -1.0271 -1.0224 -0.2510 -0.2448 0.5818 0.5845 1.1483 1.1593 1.4996 1.5087 2.2559 2.2590 2.4093 2.4103 2.7576 2.7656 3.1197 3.1226 3.5249 3.5369 3.6669 3.6752 4.1707 4.1721 4.7508 4.7519 4.9327 4.9359 12.2447 12.2569 12.4656 12.4720 12.8257 12.8324 12.9757 12.9802 13.6836 13.6878 k = 0.1971 0.5598-0.0000 ( 4326 PWs) bands (ev): -13.3313 -13.3311 -13.0632 -13.0631 -11.0840 -11.0838 -10.1271 -10.1257 -8.7559 -8.7495 -8.6116 -8.6033 -3.3154 -3.3139 -2.1881 -2.1864 -1.4721 -1.4658 -1.3969 -1.3952 -0.9908 -0.9864 -0.2023 -0.1964 0.5664 0.5686 1.1864 1.1972 1.4530 1.4622 2.2712 2.2768 2.3811 2.3820 2.7609 2.7682 3.1346 3.1376 3.5147 3.5266 3.6695 3.6781 4.1682 4.1698 4.7441 4.7450 4.9503 4.9536 12.2624 12.2746 12.4603 12.4670 12.8047 12.8114 12.9706 12.9754 13.7002 13.7043 k = 0.1807 0.5598-0.0000 ( 4330 PWs) bands (ev): -13.3364 -13.3363 -13.0653 -13.0652 -11.0505 -11.0502 -10.1581 -10.1568 -8.7462 -8.7397 -8.6134 -8.6051 -3.3029 -3.3014 -2.2492 -2.2478 -1.4842 -1.4787 -1.3994 -1.3977 -0.9524 -0.9482 -0.1566 -0.1510 0.5535 0.5552 1.2237 1.2343 1.4071 1.4165 2.2726 2.2819 2.3633 2.3672 2.7645 2.7714 3.1489 3.1522 3.5016 3.5131 3.6714 3.6800 4.1684 4.1700 4.7382 4.7391 4.9674 4.9708 12.2819 12.2941 12.4572 12.4641 12.7816 12.7884 12.9624 12.9675 13.7197 13.7238 k = 0.1642 0.5598-0.0000 ( 4328 PWs) bands (ev): -13.3414 -13.3413 -13.0674 -13.0673 -11.0162 -11.0159 -10.1895 -10.1882 -8.7367 -8.7301 -8.6154 -8.6072 -3.2889 -3.2873 -2.3096 -2.3083 -1.4957 -1.4908 -1.4022 -1.4005 -0.9131 -0.9091 -0.1149 -0.1098 0.5442 0.5453 1.2554 1.2654 1.3667 1.3770 2.2521 2.2626 2.3686 2.3733 2.7682 2.7746 3.1627 3.1661 3.4859 3.4967 3.6732 3.6814 4.1704 4.1722 4.7334 4.7343 4.9837 4.9870 12.3030 12.3152 12.4569 12.4640 12.7574 12.7643 12.9510 12.9563 13.7361 13.7401 k = 0.1478 0.5598-0.0000 ( 4326 PWs) bands (ev): -13.3460 -13.3459 -13.0694 -13.0693 -10.9815 -10.9812 -10.2213 -10.2201 -8.7274 -8.7207 -8.6179 -8.6097 -3.2733 -3.2718 -2.3685 -2.3673 -1.5065 -1.5022 -1.4051 -1.4036 -0.8737 -0.8700 -0.0782 -0.0738 0.5400 0.5402 1.2604 1.2692 1.3530 1.3646 2.2181 2.2284 2.3878 2.3918 2.7714 2.7775 3.1759 3.1795 3.4678 3.4778 3.6751 3.6827 4.1737 4.1756 4.7298 4.7307 4.9989 5.0022 12.3250 12.3371 12.4600 12.4673 12.7325 12.7394 12.9365 12.9420 13.7293 13.7318 k = 0.1314 0.5598-0.0000 ( 4317 PWs) bands (ev): -13.3502 -13.3501 -13.0713 -13.0713 -10.9466 -10.9463 -10.2532 -10.2521 -8.7184 -8.7115 -8.6207 -8.6125 -3.2564 -3.2549 -2.4254 -2.4242 -1.5164 -1.5127 -1.4080 -1.4066 -0.8352 -0.8318 -0.0477 -0.0440 0.5412 0.5420 1.2264 1.2348 1.3786 1.3900 2.1788 2.1887 2.4113 2.4147 2.7741 2.7798 3.1884 3.1922 3.4480 3.4570 3.6772 3.6841 4.1777 4.1796 4.7274 4.7283 5.0129 5.0159 12.3472 12.3590 12.4674 12.4748 12.7073 12.7142 12.9191 12.9248 13.7000 13.7025 k = 0.1150 0.5598-0.0000 ( 4325 PWs) bands (ev): -13.3541 -13.3540 -13.0731 -13.0731 -10.9120 -10.9116 -10.2850 -10.2840 -8.7096 -8.7026 -8.6238 -8.6157 -3.2383 -3.2368 -2.4795 -2.4784 -1.5254 -1.5222 -1.4107 -1.4094 -0.7982 -0.7951 -0.0240 -0.0212 0.5495 0.5513 1.1792 1.1874 1.4171 1.4282 2.1372 2.1470 2.4358 2.4388 2.7759 2.7813 3.2003 3.2043 3.4270 3.4351 3.6795 3.6856 4.1819 4.1837 4.7260 4.7269 5.0254 5.0282 12.3684 12.3798 12.4799 12.4875 12.6822 12.6892 12.8990 12.9049 13.6667 13.6693 k = 0.0985 0.5598-0.0000 ( 4325 PWs) bands (ev): -13.3575 -13.3574 -13.0748 -13.0747 -10.8779 -10.8776 -10.3164 -10.3154 -8.7011 -8.6940 -8.6273 -8.6193 -3.2194 -3.2179 -2.5303 -2.5293 -1.5334 -1.5306 -1.4131 -1.4120 -0.7637 -0.7608 -0.0074 -0.0054 0.5655 0.5684 1.1286 1.1367 1.4587 1.4695 2.0948 2.1044 2.4600 2.4626 2.7769 2.7819 3.2117 3.2158 3.4057 3.4128 3.6819 3.6870 4.1860 4.1876 4.7256 4.7264 5.0364 5.0389 12.3880 12.3988 12.4980 12.5056 12.6577 12.6646 12.8764 12.8825 13.6343 13.6367 k = 0.0821 0.5598-0.0000 ( 4323 PWs) bands (ev): -13.3604 -13.3604 -13.0762 -13.0762 -10.8451 -10.8448 -10.3468 -10.3459 -8.6929 -8.6858 -8.6312 -8.6232 -3.2001 -3.1988 -2.5769 -2.5759 -1.5401 -1.5379 -1.4152 -1.4142 -0.7323 -0.7298 0.0027 0.0040 0.5890 0.5929 1.0769 1.0849 1.5009 1.5113 2.0525 2.0619 2.4828 2.4852 2.7770 2.7815 3.2226 3.2267 3.3847 3.3909 3.6842 3.6885 4.1895 4.1910 4.7259 4.7266 5.0459 5.0480 12.4058 12.4157 12.5210 12.5287 12.6345 12.6411 12.8513 12.8576 13.6046 13.6067 k = 0.0657 0.5598-0.0000 ( 4329 PWs) bands (ev): -13.3628 -13.3628 -13.0775 -13.0774 -10.8144 -10.8141 -10.3755 -10.3747 -8.6851 -8.6779 -8.6354 -8.6276 -3.1814 -3.1802 -2.6182 -2.6174 -1.5457 -1.5440 -1.4169 -1.4161 -0.7048 -0.7027 0.0076 0.0084 0.6191 0.6237 1.0254 1.0331 1.5424 1.5521 2.0114 2.0204 2.5035 2.5055 2.7765 2.7804 3.2331 3.2372 3.3647 3.3701 3.6864 3.6897 4.1926 4.1938 4.7266 4.7272 5.0537 5.0554 12.4220 12.4311 12.5468 12.5539 12.6147 12.6203 12.8239 12.8304 13.5788 13.5806 k = 0.0493 0.5598-0.0000 ( 4330 PWs) bands (ev): -13.3648 -13.3647 -13.0784 -13.0784 -10.7870 -10.7867 -10.4011 -10.4005 -8.6777 -8.6705 -8.6400 -8.6323 -3.1642 -3.1632 -2.6531 -2.6523 -1.5501 -1.5488 -1.4182 -1.4177 -0.6822 -0.6806 0.0089 0.0094 0.6540 0.6591 0.9750 0.9823 1.5815 1.5902 1.9732 1.9813 2.5211 2.5227 2.7755 2.7787 3.2432 3.2472 3.3464 3.3511 3.6882 3.6908 4.1950 4.1959 4.7275 4.7280 5.0598 5.0612 12.4373 12.4454 12.5662 12.5705 12.6085 12.6106 12.7944 12.8011 13.5579 13.5592 k = 0.0328 0.5598-0.0000 ( 4336 PWs) bands (ev): -13.3661 -13.3661 -13.0791 -13.0791 -10.7647 -10.7645 -10.4221 -10.4217 -8.6707 -8.6637 -8.6447 -8.6373 -3.1501 -3.1494 -2.6798 -2.6793 -1.5532 -1.5523 -1.4192 -1.4188 -0.6652 -0.6641 0.0084 0.0087 0.6913 0.6965 0.9277 0.9343 1.6159 1.6229 1.9403 1.9469 2.5347 2.5359 2.7745 2.7768 3.2528 3.2564 3.3309 3.3347 3.6898 3.6914 4.1967 4.1973 4.7283 4.7287 5.0642 5.0652 12.4516 12.4582 12.5601 12.5651 12.6265 12.6327 12.7633 12.7701 13.5424 13.5433 k = 0.0164 0.5598-0.0000 ( 4338 PWs) bands (ev): -13.3670 -13.3670 -13.0795 -13.0795 -10.7498 -10.7496 -10.4362 -10.4360 -8.6643 -8.6584 -8.6487 -8.6426 -3.1406 -3.1402 -2.6967 -2.6965 -1.5550 -1.5545 -1.4197 -1.4195 -0.6546 -0.6540 0.0075 0.0076 0.7260 0.7300 0.8887 0.8934 1.6415 1.6456 1.9175 1.9214 2.5434 2.5441 2.7739 2.7751 3.2611 3.2634 3.3198 3.3222 3.6909 3.6917 4.1978 4.1981 4.7290 4.7291 5.0670 5.0675 12.4635 12.4677 12.5494 12.5530 12.6567 12.6632 12.7319 12.7385 13.5330 13.5335 k = 0.0000 0.5598-0.0000 ( 4336 PWs) bands (ev): -13.3673 -13.3673 -13.0797 -13.0797 -10.7444 -10.7444 -10.4411 -10.4411 -8.6590 -8.6590 -8.6476 -8.6476 -3.1371 -3.1371 -2.7025 -2.7025 -1.5554 -1.5554 -1.4198 -1.4198 -0.6508 -0.6508 0.0071 0.0071 0.7443 0.7443 0.8729 0.8729 1.6527 1.6527 1.9104 1.9104 2.5467 2.5467 2.7741 2.7741 3.2655 3.2655 3.3164 3.3164 3.6915 3.6915 4.1983 4.1983 4.7293 4.7293 5.0681 5.0681 12.4700 12.4700 12.5462 12.5462 12.6814 12.6814 12.7138 12.7138 13.5300 13.5300 k = 0.0000 0.5598-0.0000 ( 4336 PWs) bands (ev): -13.3673 -13.3673 -13.0797 -13.0797 -10.7444 -10.7444 -10.4411 -10.4411 -8.6590 -8.6590 -8.6476 -8.6476 -3.1371 -3.1371 -2.7025 -2.7025 -1.5554 -1.5554 -1.4198 -1.4198 -0.6508 -0.6508 0.0071 0.0071 0.7443 0.7443 0.8729 0.8729 1.6527 1.6527 1.9104 1.9104 2.5467 2.5467 2.7741 2.7741 3.2655 3.2655 3.3164 3.3164 3.6915 3.6915 4.1983 4.1983 4.7293 4.7293 5.0681 5.0681 12.4700 12.4700 12.5462 12.5462 12.6814 12.6814 12.7138 12.7138 13.5300 13.5300 k = 0.0000 0.5598 0.0164 ( 4342 PWs) bands (ev): -13.3670 -13.3670 -13.0798 -13.0798 -10.7436 -10.7436 -10.4405 -10.4405 -8.6606 -8.6605 -8.6494 -8.6493 -3.1369 -3.1368 -2.7021 -2.7019 -1.5548 -1.5548 -1.4171 -1.4168 -0.6491 -0.6489 0.0064 0.0065 0.7425 0.7426 0.8710 0.8713 1.6526 1.6526 1.9111 1.9111 2.5445 2.5446 2.7748 2.7748 3.2669 3.2670 3.3169 3.3171 3.6909 3.6910 4.1985 4.1986 4.7293 4.7294 5.0678 5.0678 12.4656 12.4662 12.5358 12.5363 12.6895 12.6902 12.7106 12.7108 13.5341 13.5342 k = 0.0000 0.5598 0.0328 ( 4342 PWs) bands (ev): -13.3663 -13.3663 -13.0800 -13.0800 -10.7411 -10.7411 -10.4386 -10.4385 -8.6655 -8.6652 -8.6545 -8.6545 -3.1361 -3.1358 -2.7007 -2.7003 -1.5530 -1.5530 -1.4087 -1.4082 -0.6437 -0.6432 0.0044 0.0047 0.7373 0.7375 0.8657 0.8662 1.6524 1.6525 1.9132 1.9133 2.5382 2.5383 2.7769 2.7770 3.2714 3.2714 3.3188 3.3190 3.6892 3.6893 4.1994 4.1996 4.7296 4.7296 5.0670 5.0670 12.4533 12.4544 12.5106 12.5111 12.6987 12.6998 12.7123 12.7128 13.5461 13.5462 k = 0.0000 0.5598 0.0491 ( 4334 PWs) bands (ev): -13.3652 -13.3652 -13.0805 -13.0804 -10.7371 -10.7370 -10.4354 -10.4353 -8.6734 -8.6730 -8.6632 -8.6631 -3.1347 -3.1343 -2.6984 -2.6978 -1.5501 -1.5501 -1.3948 -1.3940 -0.6346 -0.6339 0.0011 0.0015 0.7289 0.7292 0.8570 0.8577 1.6521 1.6522 1.9167 1.9168 2.5280 2.5282 2.7804 2.7806 3.2784 3.2785 3.3220 3.3223 3.6864 3.6865 4.2008 4.2012 4.7300 4.7301 5.0656 5.0657 12.4333 12.4349 12.4778 12.4782 12.6848 12.6858 12.7373 12.7382 13.5643 13.5644 k = 0.0000 0.5598 0.0655 ( 4326 PWs) bands (ev): -13.3636 -13.3635 -13.0811 -13.0810 -10.7313 -10.7313 -10.4309 -10.4307 -8.6845 -8.6840 -8.6751 -8.6749 -3.1326 -3.1321 -2.6951 -2.6944 -1.5461 -1.5461 -1.3754 -1.3743 -0.6217 -0.6208 -0.0036 -0.0030 0.7177 0.7181 0.8452 0.8462 1.6515 1.6517 1.9212 1.9213 2.5144 2.5146 2.7851 2.7853 3.2878 3.2878 3.3265 3.3269 3.6823 3.6825 4.2028 4.2033 4.7305 4.7307 5.0637 5.0638 12.4062 12.4083 12.4414 12.4415 12.6662 12.6673 12.7647 12.7655 13.5868 13.5868 k = 0.0000 0.5598 0.0819 ( 4328 PWs) bands (ev): -13.3615 -13.3615 -13.0818 -13.0818 -10.7240 -10.7239 -10.4251 -10.4249 -8.6987 -8.6980 -8.6902 -8.6900 -3.1299 -3.1292 -2.6910 -2.6902 -1.5413 -1.5412 -1.3509 -1.3495 -0.6050 -0.6039 -0.0097 -0.0091 0.7041 0.7046 0.8307 0.8319 1.6504 1.6507 1.9265 1.9266 2.4978 2.4980 2.7909 2.7911 3.2988 3.2989 3.3323 3.3328 3.6771 3.6773 4.2053 4.2060 4.7311 4.7313 5.0613 5.0613 12.3730 12.3753 12.4029 12.4031 12.6451 12.6462 12.7923 12.7929 13.6109 13.6111 k = 0.0000 0.5598 0.0983 ( 4326 PWs) bands (ev): -13.3590 -13.3589 -13.0828 -13.0828 -10.7150 -10.7149 -10.4181 -10.4178 -8.7160 -8.7152 -8.7083 -8.7080 -3.1264 -3.1256 -2.6861 -2.6851 -1.5357 -1.5356 -1.3214 -1.3198 -0.5845 -0.5831 -0.0175 -0.0167 0.6887 0.6892 0.8137 0.8151 1.6489 1.6492 1.9322 1.9323 2.4788 2.4790 2.7974 2.7976 3.3112 3.3112 3.3395 3.3401 3.6707 3.6710 4.2083 4.2091 4.7318 4.7321 5.0582 5.0583 12.3349 12.3373 12.3635 12.3639 12.6225 12.6235 12.8193 12.8197 13.6346 13.6349 k = 0.0000 0.5598 0.1147 ( 4322 PWs) bands (ev): -13.3561 -13.3560 -13.0839 -13.0839 -10.7044 -10.7043 -10.4097 -10.4094 -8.7365 -8.7356 -8.7290 -8.7288 -3.1221 -3.1212 -2.6805 -2.6794 -1.5295 -1.5294 -1.2874 -1.2856 -0.5600 -0.5585 -0.0269 -0.0260 0.6721 0.6727 0.7945 0.7962 1.6466 1.6470 1.9380 1.9381 2.4580 2.4582 2.8044 2.8047 3.3242 3.3243 3.3481 3.3488 3.6631 3.6633 4.2117 4.2126 4.7326 4.7328 5.0547 5.0547 12.2934 12.2955 12.3242 12.3248 12.5991 12.5999 12.8454 12.8454 13.6558 13.6564 k = 0.0000 0.5598 0.1310 ( 4320 PWs) bands (ev): -13.3527 -13.3526 -13.0853 -13.0852 -10.6922 -10.6921 -10.4001 -10.3998 -8.7602 -8.7594 -8.7520 -8.7519 -3.1169 -3.1160 -2.6743 -2.6731 -1.5228 -1.5227 -1.2492 -1.2472 -0.5316 -0.5299 -0.0381 -0.0370 0.6548 0.6556 0.7737 0.7756 1.6436 1.6440 1.9433 1.9434 2.4361 2.4362 2.8116 2.8119 3.3375 3.3376 3.3581 3.3588 3.6542 3.6545 4.2154 4.2164 4.7333 4.7336 5.0505 5.0506 12.2498 12.2515 12.2858 12.2864 12.5755 12.5761 12.8699 12.8703 13.6733 13.6742 k = 0.0000 0.5598 0.1474 ( 4314 PWs) bands (ev): -13.3489 -13.3489 -13.0868 -13.0867 -10.6783 -10.6782 -10.3892 -10.3888 -8.7871 -8.7863 -8.7773 -8.7772 -3.1109 -3.1098 -2.6676 -2.6664 -1.5159 -1.5157 -1.2074 -1.2051 -0.4992 -0.4973 -0.0511 -0.0498 0.6377 0.6385 0.7517 0.7537 1.6397 1.6402 1.9477 1.9478 2.4136 2.4137 2.8187 2.8189 3.3506 3.3507 3.3695 3.3702 3.6442 3.6445 4.2192 4.2203 4.7340 4.7343 5.0458 5.0459 12.2052 12.2065 12.2490 12.2496 12.5520 12.5524 12.8929 12.8936 13.6865 13.6877 k = 0.0000 0.5598 0.1638 ( 4308 PWs) bands (ev): -13.3448 -13.3447 -13.0885 -13.0884 -10.6629 -10.6628 -10.3770 -10.3766 -8.8168 -8.8162 -8.8047 -8.8044 -3.1039 -3.1028 -2.6605 -2.6592 -1.5087 -1.5085 -1.1624 -1.1598 -0.4630 -0.4609 -0.0658 -0.0645 0.6212 0.6222 0.7287 0.7310 1.6349 1.6354 1.9506 1.9507 2.3912 2.3912 2.8254 2.8255 3.3631 3.3632 3.3821 3.3827 3.6331 3.6333 4.2231 4.2244 4.7346 4.7350 5.0406 5.0407 12.1608 12.1617 12.2144 12.2152 12.5291 12.5291 12.9141 12.9153 13.6956 13.6970 k = 0.0000 0.5598 0.1802 ( 4312 PWs) bands (ev): -13.3403 -13.3402 -13.0904 -13.0904 -10.6458 -10.6458 -10.3636 -10.3631 -8.8493 -8.8487 -8.8342 -8.8337 -3.0959 -3.0947 -2.6532 -2.6519 -1.5015 -1.5012 -1.1149 -1.1121 -0.4230 -0.4208 -0.0823 -0.0808 0.6060 0.6071 0.7052 0.7077 1.6290 1.6296 1.9515 1.9517 2.3695 2.3696 2.8313 2.8314 3.3747 3.3747 3.3959 3.3963 3.6210 3.6211 4.2269 4.2283 4.7352 4.7356 5.0347 5.0349 12.1178 12.1183 12.1827 12.1835 12.5067 12.5069 12.9333 12.9349 13.7010 13.7026 k = 0.0000 0.5598 0.1966 ( 4310 PWs) bands (ev): -13.3354 -13.3353 -13.0926 -13.0925 -10.6272 -10.6271 -10.3489 -10.3484 -8.8842 -8.8836 -8.8656 -8.8650 -3.0869 -3.0856 -2.6458 -2.6445 -1.4942 -1.4938 -1.0657 -1.0627 -0.3794 -0.3770 -0.1002 -0.0985 0.5927 0.5939 0.6816 0.6843 1.6222 1.6228 1.9498 1.9501 2.3492 2.3493 2.8361 2.8362 3.3849 3.3851 3.4105 3.4105 3.6083 3.6083 4.2304 4.2319 4.7357 4.7361 5.0284 5.0286 12.0770 12.0772 12.1544 12.1554 12.4855 12.4859 12.9500 12.9521 13.7036 13.7053 k = 0.0000 0.5598 0.2129 ( 4314 PWs) bands (ev): -13.3302 -13.3301 -13.0949 -13.0948 -10.6071 -10.6070 -10.3329 -10.3324 -8.9212 -8.9207 -8.8987 -8.8981 -3.0769 -3.0755 -2.6385 -2.6372 -1.4868 -1.4864 -1.0157 -1.0124 -0.3325 -0.3300 -0.1190 -0.1173 0.5816 0.5829 0.6583 0.6612 1.6144 1.6150 1.9450 1.9454 2.3308 2.3311 2.8396 2.8397 3.3936 3.3939 3.4249 3.4253 3.5955 3.5956 4.2334 4.2349 4.7363 4.7367 5.0214 5.0217 12.0393 12.0394 12.1301 12.1312 12.4657 12.4663 12.9640 12.9665 13.7043 13.7061 k = 0.0000 0.5598 0.2293 ( 4316 PWs) bands (ev): -13.3246 -13.3245 -13.0975 -13.0974 -10.5853 -10.5852 -10.3157 -10.3151 -8.9603 -8.9598 -8.9336 -8.9328 -3.0658 -3.0643 -2.6314 -2.6301 -1.4794 -1.4788 -0.9660 -0.9625 -0.2826 -0.2799 -0.1381 -0.1362 0.5733 0.5747 0.6356 0.6388 1.6055 1.6062 1.9365 1.9371 2.3150 2.3154 2.8415 2.8416 3.4007 3.4011 3.4383 3.4391 3.5837 3.5841 4.2356 4.2373 4.7369 4.7373 5.0140 5.0143 12.0053 12.0057 12.1102 12.1114 12.4476 12.4484 12.9749 12.9779 13.7038 13.7056 k = 0.0000 0.5598 0.2457 ( 4318 PWs) bands (ev): -13.3188 -13.3187 -13.1003 -13.1002 -10.5621 -10.5620 -10.2973 -10.2967 -9.0012 -9.0007 -8.9699 -8.9691 -3.0536 -3.0522 -2.6247 -2.6235 -1.4717 -1.4711 -0.9179 -0.9142 -0.2302 -0.2274 -0.1565 -0.1544 0.5679 0.5694 0.6141 0.6175 1.5956 1.5963 1.9241 1.9248 2.3021 2.3026 2.8416 2.8418 3.4060 3.4064 3.4487 3.4501 3.5751 3.5758 4.2369 4.2386 4.7376 4.7380 5.0060 5.0063 11.9759 11.9764 12.0951 12.0965 12.4316 12.4325 12.9824 12.9858 13.7028 13.7046 k = 0.0000 0.5598 0.2621 ( 4316 PWs) bands (ev): -13.3127 -13.3126 -13.1033 -13.1032 -10.5373 -10.5372 -10.2776 -10.2770 -9.0436 -9.0431 -9.0076 -9.0067 -3.0405 -3.0389 -2.6185 -2.6175 -1.4637 -1.4630 -0.8731 -0.8693 -0.1771 -0.1749 -0.1707 -0.1692 0.5658 0.5674 0.5942 0.5978 1.5848 1.5855 1.9076 1.9084 2.2923 2.2929 2.8396 2.8399 3.4093 3.4098 3.4531 3.4550 3.5727 3.5737 4.2370 4.2388 4.7385 4.7389 4.9977 4.9980 11.9515 11.9523 12.0851 12.0867 12.4177 12.4187 12.9862 12.9901 13.7016 13.7034 k = 0.0000 0.5598 0.2784 ( 4316 PWs) bands (ev): -13.3063 -13.3062 -13.1066 -13.1065 -10.5110 -10.5109 -10.2568 -10.2561 -9.0874 -9.0870 -9.0464 -9.0454 -3.0263 -3.0247 -2.6132 -2.6122 -1.4553 -1.4544 -0.8337 -0.8297 -0.1855 -0.1833 -0.1198 -0.1169 0.5672 0.5687 0.5765 0.5803 1.5729 1.5736 1.8871 1.8879 2.2856 2.2863 2.8355 2.8359 3.4108 3.4112 3.4495 3.4517 3.5788 3.5800 4.2357 4.2375 4.7398 4.7402 4.9888 4.9892 11.9327 11.9336 12.0805 12.0822 12.4062 12.4073 12.9862 12.9905 13.7007 13.7022 k = 0.0000 0.5598 0.2948 ( 4316 PWs) bands (ev): -13.2997 -13.2996 -13.1101 -13.1100 -10.4833 -10.4832 -10.2349 -10.2341 -9.1324 -9.1320 -9.0861 -9.0852 -3.0112 -3.0096 -2.6087 -2.6079 -1.4462 -1.4452 -0.8018 -0.7977 -0.1925 -0.1901 -0.0639 -0.0610 0.5614 0.5655 0.5724 0.5741 1.5600 1.5607 1.8629 1.8638 2.2818 2.2825 2.8290 2.8295 3.4103 3.4108 3.4387 3.4411 3.5928 3.5939 4.2327 4.2345 4.7415 4.7419 4.9796 4.9800 11.9197 11.9207 12.0814 12.0833 12.3972 12.3984 12.9823 12.9871 13.6927 13.6972 k = 0.0000 0.5598 0.3112 ( 4316 PWs) bands (ev): -13.2930 -13.2928 -13.1138 -13.1137 -10.4542 -10.4540 -10.2118 -10.2110 -9.1783 -9.1779 -9.1267 -9.1257 -2.9951 -2.9935 -2.6054 -2.6048 -1.4362 -1.4351 -0.7794 -0.7753 -0.1922 -0.1895 -0.0090 -0.0060 0.5506 0.5549 0.5813 0.5830 1.5460 1.5468 1.8352 1.8361 2.2806 2.2814 2.8201 2.8206 3.4080 3.4084 3.4233 3.4258 3.6121 3.6131 4.2280 4.2298 4.7437 4.7440 4.9701 4.9705 11.9128 11.9139 12.0879 12.0900 12.3909 12.3921 12.9746 12.9798 13.6507 13.6543 k = 0.0000 0.5598 0.3276 ( 4312 PWs) bands (ev): -13.2860 -13.2859 -13.1178 -13.1177 -10.4237 -10.4235 -10.1876 -10.1868 -9.2250 -9.2246 -9.1680 -9.1669 -2.9782 -2.9765 -2.6034 -2.6029 -1.4253 -1.4240 -0.7680 -0.7640 -0.1837 -0.1807 0.0431 0.0461 0.5450 0.5494 0.5943 0.5961 1.5310 1.5318 1.8046 1.8055 2.2817 2.2825 2.8084 2.8089 3.4033 3.4042 3.4057 3.4087 3.6347 3.6355 4.2213 4.2231 4.7464 4.7468 4.9603 4.9607 11.9121 11.9133 12.1000 12.1023 12.3874 12.3885 12.9633 12.9689 13.6005 13.6043 k = 0.0000 0.5598 0.3440 ( 4318 PWs) bands (ev): -13.2789 -13.2787 -13.1221 -13.1219 -10.3918 -10.3917 -10.1625 -10.1616 -9.2723 -9.2719 -9.2097 -9.2086 -2.9605 -2.9588 -2.6028 -2.6024 -1.4131 -1.4117 -0.7678 -0.7638 -0.1671 -0.1638 0.0905 0.0933 0.5464 0.5508 0.6117 0.6134 1.5148 1.5156 1.7712 1.7721 2.2849 2.2856 2.7940 2.7945 3.3867 3.3886 3.3987 3.3991 3.6594 3.6601 4.2127 4.2145 4.7499 4.7501 4.9503 4.9507 11.9178 11.9190 12.1175 12.1200 12.3866 12.3877 12.9487 12.9548 13.5436 13.5475 k = 0.0000 0.5598 0.3603 ( 4318 PWs) bands (ev): -13.2717 -13.2715 -13.1266 -13.1264 -10.3587 -10.3585 -10.1364 -10.1356 -9.3198 -9.3194 -9.2517 -9.2506 -2.9421 -2.9403 -2.6037 -2.6035 -1.3995 -1.3980 -0.7776 -0.7738 -0.1437 -0.1402 0.1307 0.1332 0.5568 0.5610 0.6335 0.6352 1.4975 1.4982 1.7354 1.7363 2.2900 2.2906 2.7767 2.7773 3.3682 3.3703 3.3916 3.3918 3.6854 3.6860 4.2021 4.2038 4.7539 4.7542 4.9401 4.9406 11.9298 11.9310 12.1401 12.1428 12.3887 12.3897 12.9312 12.9377 13.4809 13.4850 k = 0.0000 0.5598 0.3767 ( 4324 PWs) bands (ev): -13.2643 -13.2642 -13.1313 -13.1312 -10.3244 -10.3242 -10.1095 -10.1087 -9.3674 -9.3670 -9.2939 -9.2928 -2.9230 -2.9213 -2.6063 -2.6063 -1.3843 -1.3826 -0.7957 -0.7920 -0.1158 -0.1121 0.1618 0.1638 0.5776 0.5814 0.6598 0.6614 1.4788 1.4795 1.6975 1.6983 2.2967 2.2973 2.7565 2.7572 3.3505 3.3527 3.3832 3.3835 3.7123 3.7127 4.1896 4.1912 4.7587 4.7589 4.9299 4.9303 11.9480 11.9492 12.1674 12.1702 12.3936 12.3945 12.9114 12.9183 13.4136 13.4179 k = 0.0000 0.5598 0.3931 ( 4328 PWs) bands (ev): -13.2569 -13.2568 -13.1363 -13.1361 -10.2889 -10.2887 -10.0821 -10.0812 -9.4148 -9.4144 -9.3360 -9.3349 -2.9034 -2.9017 -2.6107 -2.6105 -1.3674 -1.3656 -0.8203 -0.8167 -0.0855 -0.0816 0.1830 0.1843 0.6091 0.6122 0.6905 0.6921 1.4588 1.4594 1.6576 1.6584 2.3052 2.3058 2.7336 2.7343 3.3343 3.3365 3.3738 3.3742 3.7397 3.7400 4.1752 4.1767 4.7640 4.7642 4.9196 4.9201 11.9722 11.9733 12.1985 12.2016 12.4013 12.4021 12.8897 12.8970 13.3435 13.3478 k = 0.0000 0.5598 0.4095 ( 4324 PWs) bands (ev): -13.2495 -13.2493 -13.1415 -13.1413 -10.2524 -10.2521 -10.0542 -10.0533 -9.4615 -9.4611 -9.3779 -9.3767 -2.8834 -2.8817 -2.6169 -2.6166 -1.3487 -1.3467 -0.8494 -0.8460 -0.0545 -0.0505 0.1950 0.1955 0.6496 0.6521 0.7255 0.7269 1.4373 1.4379 1.6161 1.6168 2.3154 2.3159 2.7082 2.7088 3.3200 3.3222 3.3636 3.3642 3.7674 3.7677 4.1591 4.1605 4.7700 4.7701 4.9093 4.9098 12.0020 12.0031 12.2326 12.2360 12.4119 12.4125 12.8667 12.8744 13.2724 13.2767 k = 0.0000 0.5598 0.4259 ( 4326 PWs) bands (ev): -13.2420 -13.2419 -13.1469 -13.1468 -10.2149 -10.2147 -10.0264 -10.0255 -9.5071 -9.5067 -9.4194 -9.4182 -2.8630 -2.8613 -2.6248 -2.6243 -1.3280 -1.3259 -0.8819 -0.8785 -0.0242 -0.0203 0.1994 0.1996 0.6967 0.6986 0.7641 0.7653 1.4145 1.4150 1.5730 1.5737 2.3274 2.3279 2.6806 2.6811 3.3079 3.3101 3.3530 3.3537 3.7953 3.7954 4.1413 4.1427 4.7765 4.7765 4.8992 4.8996 12.0371 12.0381 12.2682 12.2719 12.4253 12.4256 12.8429 12.8508 13.2026 13.2068 k = 0.0000 0.5598 0.4422 ( 4324 PWs) bands (ev): -13.2345 -13.2344 -13.1526 -13.1525 -10.1768 -10.1765 -9.9992 -9.9983 -9.5509 -9.5505 -9.4601 -9.4590 -2.8425 -2.8408 -2.6345 -2.6338 -1.3054 -1.3032 -0.9164 -0.9131 0.0045 0.0084 0.1978 0.1986 0.7475 0.7490 0.8056 0.8066 1.3904 1.3909 1.5288 1.5294 2.3413 2.3417 2.6512 2.6517 3.2982 3.3004 3.3422 3.3431 3.8232 3.8232 4.1221 4.1234 4.7834 4.7834 4.8891 4.8895 12.0769 12.0777 12.3033 12.3071 12.4416 12.4416 12.8184 12.8263 13.1374 13.1412 k = 0.0000 0.5598 0.4586 ( 4322 PWs) bands (ev): -13.2271 -13.2269 -13.1585 -13.1584 -10.1382 -10.1379 -9.9738 -9.9729 -9.5917 -9.5913 -9.4999 -9.4988 -2.8219 -2.8202 -2.6458 -2.6450 -1.2809 -1.2785 -0.9523 -0.9490 0.0311 0.0349 0.1924 0.1937 0.7996 0.8007 0.8487 0.8495 1.3655 1.3659 1.4838 1.4844 2.3572 2.3575 2.6205 2.6210 3.2910 3.2931 3.3315 3.3325 3.8508 3.8509 4.1016 4.1028 4.7907 4.7908 4.8791 4.8796 12.1204 12.1211 12.3351 12.3391 12.4603 12.4606 12.7927 12.8000 13.0812 13.0842 k = 0.0000 0.5598 0.4750 ( 4318 PWs) bands (ev): -13.2197 -13.2195 -13.1646 -13.1645 -10.0994 -10.0991 -9.9518 -9.9509 -9.6277 -9.6272 -9.5384 -9.5373 -2.8014 -2.7998 -2.6586 -2.6577 -1.2544 -1.2519 -0.9887 -0.9855 0.0555 0.0593 0.1841 0.1859 0.8505 0.8513 0.8917 0.8922 1.3406 1.3410 1.4389 1.4395 2.3752 2.3755 2.5892 2.5896 3.2862 3.2883 3.3212 3.3224 3.8783 3.8784 4.0800 4.0810 4.7984 4.7985 4.8693 4.8697 12.1667 12.1672 12.3602 12.3641 12.4820 12.4827 12.7640 12.7697 13.0404 13.0420 k = 0.0000 0.5598 0.4914 ( 4324 PWs) bands (ev): -13.2124 -13.2122 -13.1710 -13.1708 -10.0610 -10.0607 -9.9363 -9.9355 -9.6558 -9.6552 -9.5749 -9.5738 -2.7811 -2.7795 -2.6730 -2.6719 -1.2260 -1.2235 -1.0251 -1.0221 0.0778 0.0814 0.1737 0.1759 0.8981 0.8987 0.9318 0.9321 1.3175 1.3179 1.3951 1.3957 2.3954 2.3956 2.5579 2.5582 3.2839 3.2859 3.3116 3.3130 3.9054 3.9057 4.0573 4.0582 4.8064 4.8066 4.8597 4.8601 12.2142 12.2146 12.3751 12.3785 12.5069 12.5080 12.7299 12.7335 13.0212 13.0214 k = 0.0000 0.5598 0.5078 ( 4330 PWs) bands (ev): -13.2051 -13.2050 -13.1775 -13.1773 -10.0239 -10.0235 -9.9313 -9.9306 -9.6720 -9.6713 -9.6087 -9.6076 -2.7612 -2.7597 -2.6886 -2.6874 -1.1960 -1.1933 -1.0613 -1.0582 0.0980 0.1014 0.1617 0.1641 0.9395 0.9400 0.9649 0.9650 1.2995 1.2999 1.3547 1.3553 2.4177 2.4179 2.5270 2.5273 3.2838 3.2858 3.3030 3.3045 3.9321 3.9325 4.0337 4.0345 4.8147 4.8149 4.8502 4.8506 12.2608 12.2612 12.3770 12.3795 12.5354 12.5369 12.6903 12.6916 13.0255 13.0273 k = 0.0000 0.5598 0.5241 ( 4334 PWs) bands (ev): -13.1980 -13.1978 -13.1842 -13.1840 -9.9894 -9.9890 -9.9395 -9.9389 -9.6734 -9.6726 -9.6381 -9.6371 -2.7419 -2.7404 -2.7054 -2.7041 -1.1642 -1.1615 -1.0967 -1.0937 0.1163 0.1195 0.1481 0.1508 0.9710 0.9714 0.9853 0.9854 1.2915 1.2920 1.3208 1.3214 2.4423 2.4425 2.4972 2.4974 3.2859 3.2878 3.2957 3.2974 3.9584 3.9589 4.0093 4.0099 4.8232 4.8235 4.8410 4.8414 12.3037 12.3042 12.3648 12.3665 12.5683 12.5699 12.6478 12.6481 13.0532 13.0558 k = 0.0000 0.5598 0.5405 ( 4332 PWs) bands (ev): -13.1910 -13.1910 -13.1908 -13.1908 -9.9601 -9.9601 -9.9596 -9.9596 -9.6609 -9.6609 -9.6599 -9.6599 -2.7232 -2.7232 -2.7218 -2.7218 -1.1311 -1.1311 -1.1282 -1.1282 0.1330 0.1330 0.1359 0.1359 0.9876 0.9876 0.9878 0.9878 1.2984 1.2984 1.2990 1.2990 2.4688 2.4688 2.4690 2.4690 3.2899 3.2899 3.2917 3.2917 3.9842 3.9842 3.9847 3.9847 4.8320 4.8320 4.8323 4.8323 12.3395 12.3395 12.3404 12.3404 12.6059 12.6059 12.6072 12.6072 13.0996 13.0996 k = 0.0000 0.5598 0.5405 ( 4332 PWs) bands (ev): -13.1910 -13.1910 -13.1908 -13.1908 -9.9601 -9.9601 -9.9596 -9.9596 -9.6609 -9.6609 -9.6599 -9.6599 -2.7232 -2.7232 -2.7218 -2.7218 -1.1311 -1.1311 -1.1282 -1.1282 0.1330 0.1330 0.1359 0.1359 0.9876 0.9876 0.9878 0.9878 1.2984 1.2984 1.2990 1.2990 2.4688 2.4688 2.4690 2.4690 3.2899 3.2899 3.2917 3.2917 3.9842 3.9842 3.9847 3.9847 4.8320 4.8320 4.8323 4.8323 12.3395 12.3395 12.3404 12.3404 12.6059 12.6059 12.6072 12.6072 13.0996 13.0996 k = 0.0164 0.5598 0.5405 ( 4330 PWs) bands (ev): -13.1909 -13.1909 -13.1907 -13.1907 -9.9625 -9.9625 -9.9619 -9.9619 -9.6588 -9.6588 -9.6578 -9.6578 -2.7215 -2.7215 -2.7200 -2.7200 -1.1345 -1.1345 -1.1316 -1.1316 0.1351 0.1351 0.1381 0.1381 0.9859 0.9859 0.9872 0.9872 1.2992 1.2992 1.3009 1.3009 2.4679 2.4679 2.4684 2.4684 3.2911 3.2911 3.2929 3.2929 3.9847 3.9847 3.9853 3.9853 4.8301 4.8301 4.8305 4.8305 12.3395 12.3395 12.3406 12.3406 12.6054 12.6054 12.6069 12.6069 13.0988 13.0988 k = 0.0328 0.5598 0.5405 ( 4326 PWs) bands (ev): -13.1904 -13.1904 -13.1902 -13.1902 -9.9695 -9.9695 -9.9687 -9.9687 -9.6528 -9.6528 -9.6517 -9.6517 -2.7163 -2.7163 -2.7148 -2.7148 -1.1446 -1.1446 -1.1418 -1.1418 0.1413 0.1413 0.1443 0.1443 0.9819 0.9819 0.9843 0.9843 1.3024 1.3024 1.3056 1.3056 2.4653 2.4653 2.4662 2.4662 3.2946 3.2946 3.2965 3.2965 3.9864 3.9864 3.9871 3.9871 4.8245 4.8245 4.8251 4.8251 12.3394 12.3394 12.3411 12.3411 12.6040 12.6040 12.6061 12.6061 13.0963 13.0963 k = 0.0493 0.5598 0.5405 ( 4332 PWs) bands (ev): -13.1896 -13.1896 -13.1894 -13.1894 -9.9804 -9.9804 -9.9794 -9.9794 -9.6434 -9.6434 -9.6420 -9.6420 -2.7077 -2.7077 -2.7062 -2.7062 -1.1612 -1.1612 -1.1584 -1.1584 0.1515 0.1515 0.1545 0.1545 0.9758 0.9758 0.9792 0.9792 1.3081 1.3081 1.3127 1.3127 2.4612 2.4612 2.4626 2.4626 3.3002 3.3002 3.3022 3.3022 3.9892 3.9892 3.9901 3.9901 4.8152 4.8152 4.8161 4.8161 12.3395 12.3395 12.3417 12.3417 12.6018 12.6018 12.6047 12.6047 13.0924 13.0924 k = 0.0657 0.5598 0.5405 ( 4324 PWs) bands (ev): -13.1885 -13.1885 -13.1883 -13.1883 -9.9946 -9.9946 -9.9933 -9.9933 -9.6311 -9.6311 -9.6296 -9.6296 -2.6957 -2.6957 -2.6941 -2.6941 -1.1840 -1.1840 -1.1812 -1.1812 0.1652 0.1652 0.1682 0.1682 0.9680 0.9680 0.9723 0.9723 1.3160 1.3160 1.3218 1.3218 2.4559 2.4559 2.4576 2.4576 3.3078 3.3078 3.3099 3.3099 3.9933 3.9933 3.9944 3.9944 4.8024 4.8024 4.8036 4.8036 12.3395 12.3395 12.3423 12.3423 12.5991 12.5991 12.6027 12.6027 13.0870 13.0870 k = 0.0821 0.5598 0.5405 ( 4322 PWs) bands (ev): -13.1871 -13.1871 -13.1869 -13.1869 -10.0113 -10.0113 -10.0099 -10.0099 -9.6166 -9.6166 -9.6150 -9.6150 -2.6803 -2.6803 -2.6787 -2.6787 -1.2124 -1.2124 -1.2097 -1.2097 0.1820 0.1820 0.1851 0.1851 0.9589 0.9589 0.9639 0.9639 1.3257 1.3257 1.3326 1.3326 2.4494 2.4494 2.4515 2.4515 3.3171 3.3171 3.3193 3.3193 3.9987 3.9987 3.9999 3.9999 4.7863 4.7863 4.7877 4.7877 12.3395 12.3395 12.3428 12.3428 12.5959 12.5959 12.6004 12.6004 13.0804 13.0804 k = 0.0985 0.5598 0.5405 ( 4316 PWs) bands (ev): -13.1854 -13.1854 -13.1852 -13.1852 -10.0299 -10.0299 -10.0285 -10.0285 -9.6006 -9.6006 -9.5989 -9.5989 -2.6617 -2.6617 -2.6601 -2.6601 -1.2460 -1.2460 -1.2434 -1.2434 0.2014 0.2014 0.2046 0.2046 0.9487 0.9487 0.9543 0.9543 1.3368 1.3368 1.3447 1.3447 2.4421 2.4421 2.4445 2.4445 3.3277 3.3277 3.3300 3.3300 4.0054 4.0054 4.0068 4.0068 4.7670 4.7670 4.7686 4.7686 12.3393 12.3393 12.3431 12.3431 12.5925 12.5925 12.5978 12.5978 13.0729 13.0729 k = 0.1150 0.5598 0.5405 ( 4308 PWs) bands (ev): -13.1835 -13.1835 -13.1833 -13.1833 -10.0500 -10.0500 -10.0485 -10.0485 -9.5835 -9.5835 -9.5817 -9.5817 -2.6399 -2.6399 -2.6382 -2.6382 -1.2843 -1.2843 -1.2818 -1.2818 0.2230 0.2230 0.2262 0.2262 0.9378 0.9378 0.9438 0.9438 1.3491 1.3491 1.3577 1.3577 2.4342 2.4342 2.4368 2.4368 3.3393 3.3393 3.3417 3.3417 4.0136 4.0136 4.0152 4.0152 4.7446 4.7446 4.7466 4.7466 12.3386 12.3386 12.3429 12.3429 12.5891 12.5891 12.5952 12.5952 13.0646 13.0646 k = 0.1314 0.5598 0.5405 ( 4320 PWs) bands (ev): -13.1813 -13.1813 -13.1812 -13.1812 -10.0711 -10.0711 -10.0695 -10.0695 -9.5656 -9.5656 -9.5638 -9.5638 -2.6150 -2.6150 -2.6132 -2.6132 -1.3269 -1.3269 -1.3244 -1.3244 0.2463 0.2463 0.2496 0.2496 0.9265 0.9265 0.9327 0.9327 1.3621 1.3621 1.3714 1.3714 2.4258 2.4258 2.4287 2.4287 3.3515 3.3515 3.3538 3.3538 4.0234 4.0234 4.0252 4.0252 4.7196 4.7196 4.7218 4.7218 12.3374 12.3374 12.3420 12.3420 12.5859 12.5859 12.5927 12.5927 13.0558 13.0558 k = 0.1478 0.5598 0.5405 ( 4316 PWs) bands (ev): -13.1790 -13.1790 -13.1788 -13.1788 -10.0929 -10.0929 -10.0912 -10.0912 -9.5473 -9.5473 -9.5454 -9.5454 -2.5871 -2.5871 -2.5853 -2.5853 -1.3731 -1.3731 -1.3706 -1.3706 0.2707 0.2707 0.2741 0.2741 0.9149 0.9149 0.9213 0.9213 1.3755 1.3755 1.3854 1.3854 2.4174 2.4174 2.4205 2.4205 3.3639 3.3639 3.3661 3.3661 4.0348 4.0348 4.0367 4.0367 4.6921 4.6921 4.6945 4.6945 12.3352 12.3352 12.3401 12.3401 12.5830 12.5830 12.5905 12.5905 13.0470 13.0470 k = 0.1642 0.5598 0.5405 ( 4318 PWs) bands (ev): -13.1764 -13.1764 -13.1763 -13.1763 -10.1150 -10.1150 -10.1134 -10.1134 -9.5286 -9.5286 -9.5267 -9.5267 -2.5564 -2.5564 -2.5544 -2.5544 -1.4226 -1.4226 -1.4202 -1.4202 0.2960 0.2960 0.2995 0.2995 0.9034 0.9034 0.9098 0.9098 1.3892 1.3892 1.3994 1.3994 2.4092 2.4092 2.4124 2.4124 3.3760 3.3760 3.3781 3.3781 4.0481 4.0481 4.0501 4.0501 4.6625 4.6625 4.6651 4.6651 12.3319 12.3319 12.3370 12.3370 12.5807 12.5807 12.5889 12.5889 13.0384 13.0384 k = 0.1807 0.5598 0.5405 ( 4318 PWs) bands (ev): -13.1738 -13.1738 -13.1736 -13.1736 -10.1374 -10.1374 -10.1357 -10.1357 -9.5098 -9.5098 -9.5079 -9.5079 -2.5229 -2.5229 -2.5209 -2.5209 -1.4751 -1.4751 -1.4727 -1.4727 0.3217 0.3217 0.3254 0.3254 0.8920 0.8920 0.8985 0.8985 1.4028 1.4028 1.4134 1.4134 2.4013 2.4013 2.4046 2.4046 3.3875 3.3875 3.3895 3.3895 4.0631 4.0631 4.0652 4.0652 4.6310 4.6310 4.6338 4.6338 12.3272 12.3272 12.3324 12.3324 12.5791 12.5791 12.5880 12.5880 13.0304 13.0304 k = 0.1971 0.5598 0.5405 ( 4320 PWs) bands (ev): -13.1710 -13.1710 -13.1708 -13.1708 -10.1597 -10.1597 -10.1580 -10.1580 -9.4910 -9.4910 -9.4891 -9.4891 -2.4869 -2.4869 -2.4847 -2.4847 -1.5301 -1.5301 -1.5277 -1.5277 0.3476 0.3476 0.3513 0.3513 0.8809 0.8809 0.8874 0.8874 1.4160 1.4160 1.4270 1.4270 2.3939 2.3939 2.3973 2.3973 3.3981 3.3981 3.3998 3.3998 4.0800 4.0800 4.0823 4.0823 4.5981 4.5981 4.6011 4.6011 12.3207 12.3207 12.3260 12.3260 12.5781 12.5781 12.5876 12.5876 13.0235 13.0235 k = 0.2135 0.5598 0.5405 ( 4322 PWs) bands (ev): -13.1681 -13.1681 -13.1680 -13.1680 -10.1818 -10.1818 -10.1802 -10.1802 -9.4722 -9.4722 -9.4703 -9.4703 -2.4484 -2.4484 -2.4462 -2.4462 -1.5873 -1.5873 -1.5849 -1.5849 0.3732 0.3732 0.3770 0.3770 0.8703 0.8703 0.8767 0.8767 1.4288 1.4288 1.4400 1.4400 2.3874 2.3874 2.3908 2.3908 3.4074 3.4074 3.4089 3.4089 4.0988 4.0988 4.1012 4.1012 4.5640 4.5640 4.5672 4.5672 12.3122 12.3122 12.3175 12.3175 12.5779 12.5779 12.5879 12.5879 13.0180 13.0180 k = 0.2299 0.5598 0.5405 ( 4320 PWs) bands (ev): -13.1653 -13.1653 -13.1651 -13.1651 -10.2036 -10.2036 -10.2020 -10.2020 -9.4536 -9.4536 -9.4517 -9.4517 -2.4077 -2.4077 -2.4054 -2.4054 -1.6465 -1.6465 -1.6440 -1.6440 0.3983 0.3983 0.4023 0.4023 0.8604 0.8604 0.8667 0.8667 1.4408 1.4408 1.4522 1.4522 2.3819 2.3819 2.3853 2.3853 3.4152 3.4152 3.4165 3.4165 4.1195 4.1195 4.1220 4.1220 4.5293 4.5293 4.5327 4.5327 12.3015 12.3015 12.3068 12.3068 12.5783 12.5783 12.5887 12.5887 13.0145 13.0145 k = 0.2464 0.5598 0.5405 ( 4314 PWs) bands (ev): -13.1624 -13.1624 -13.1623 -13.1623 -10.2249 -10.2249 -10.2233 -10.2233 -9.4351 -9.4351 -9.4332 -9.4332 -2.3649 -2.3649 -2.3625 -2.3625 -1.7074 -1.7074 -1.7049 -1.7049 0.4227 0.4227 0.4268 0.4268 0.8514 0.8514 0.8576 0.8576 1.4518 1.4518 1.4634 1.4634 2.3775 2.3775 2.3809 2.3809 3.4214 3.4214 3.4224 3.4224 4.1419 4.1419 4.1445 4.1445 4.4944 4.4944 4.4978 4.4978 12.2886 12.2886 12.2939 12.2939 12.5789 12.5789 12.5897 12.5897 13.0133 13.0133 k = 0.2628 0.5598 0.5405 ( 4318 PWs) bands (ev): -13.1596 -13.1596 -13.1595 -13.1595 -10.2456 -10.2456 -10.2440 -10.2440 -9.4168 -9.4168 -9.4149 -9.4149 -2.3202 -2.3202 -2.3177 -2.3177 -1.7698 -1.7698 -1.7672 -1.7672 0.4460 0.4460 0.4502 0.4502 0.8435 0.8435 0.8495 0.8495 1.4617 1.4617 1.4734 1.4734 2.3745 2.3745 2.3779 2.3779 3.4258 3.4258 3.4265 3.4265 4.1657 4.1657 4.1685 4.1685 4.4597 4.4597 4.4632 4.4632 12.2734 12.2734 12.2787 12.2787 12.5797 12.5797 12.5906 12.5906 13.0148 13.0148 k = 0.2792 0.5598 0.5405 ( 4314 PWs) bands (ev): -13.1570 -13.1570 -13.1568 -13.1568 -10.2656 -10.2656 -10.2640 -10.2640 -9.3987 -9.3987 -9.3968 -9.3968 -2.2739 -2.2739 -2.2712 -2.2712 -1.8334 -1.8334 -1.8308 -1.8308 0.4679 0.4679 0.4722 0.4722 0.8369 0.8369 0.8427 0.8427 1.4701 1.4701 1.4820 1.4820 2.3730 2.3730 2.3763 2.3763 3.4283 3.4283 3.4289 3.4289 4.1906 4.1906 4.1935 4.1935 4.4260 4.4260 4.4295 4.4295 12.2560 12.2560 12.2612 12.2612 12.5802 12.5802 12.5912 12.5912 13.0193 13.0193 k = 0.2956 0.5598 0.5405 ( 4316 PWs) bands (ev): -13.1544 -13.1544 -13.1543 -13.1543 -10.2847 -10.2847 -10.2832 -10.2832 -9.3809 -9.3809 -9.3790 -9.3790 -2.2262 -2.2262 -2.2234 -2.2234 -1.8980 -1.8980 -1.8953 -1.8953 0.4881 0.4881 0.4925 0.4925 0.8319 0.8319 0.8375 0.8375 1.4770 1.4770 1.4889 1.4889 2.3732 2.3732 2.3764 2.3764 3.4290 3.4290 3.4295 3.4295 4.2154 4.2154 4.2186 4.2186 4.3944 4.3944 4.3978 4.3978 12.2364 12.2364 12.2415 12.2415 12.5803 12.5803 12.5911 12.5911 13.0270 13.0270 k = 0.3121 0.5598 0.5405 ( 4320 PWs) bands (ev): -13.1521 -13.1521 -13.1520 -13.1520 -10.3029 -10.3029 -10.3014 -10.3014 -9.3633 -9.3633 -9.3614 -9.3614 -2.1775 -2.1775 -2.1747 -2.1747 -1.9632 -1.9632 -1.9603 -1.9603 0.5062 0.5062 0.5106 0.5106 0.8290 0.8290 0.8344 0.8344 1.4821 1.4821 1.4940 1.4940 2.3751 2.3751 2.3782 2.3782 3.4279 3.4279 3.4284 3.4284 4.2376 4.2376 4.2410 4.2410 4.3678 4.3678 4.3708 4.3708 12.2146 12.2146 12.2197 12.2197 12.5797 12.5797 12.5904 12.5904 13.0378 13.0378 k = 0.3285 0.5598 0.5405 ( 4324 PWs) bands (ev): -13.1500 -13.1500 -13.1499 -13.1499 -10.3200 -10.3200 -10.3186 -10.3186 -9.3460 -9.3460 -9.3441 -9.3441 -2.1299 -2.1299 -2.1268 -2.1268 -2.0271 -2.0271 -2.0240 -2.0240 0.5218 0.5218 0.5263 0.5263 0.8284 0.8284 0.8336 0.8336 1.4852 1.4852 1.4971 1.4971 2.3789 2.3789 2.3820 2.3820 3.4251 3.4251 3.4257 3.4257 4.2505 4.2505 4.2540 4.2540 4.3532 4.3532 4.3551 4.3551 12.1910 12.1910 12.1960 12.1960 12.5783 12.5783 12.5888 12.5888 13.0517 13.0517 k = 0.3449 0.5598 0.5405 ( 4326 PWs) bands (ev): -13.1482 -13.1482 -13.1481 -13.1481 -10.3361 -10.3361 -10.3346 -10.3346 -9.3289 -9.3289 -9.3271 -9.3271 -2.1122 -2.1122 -2.1114 -2.1114 -2.0582 -2.0582 -2.0576 -2.0576 0.5344 0.5344 0.5390 0.5390 0.8307 0.8307 0.8357 0.8357 1.4861 1.4861 1.4980 1.4980 2.3847 2.3847 2.3877 2.3877 3.4210 3.4210 3.4217 3.4217 4.2450 4.2450 4.2486 4.2486 4.3591 4.3591 4.3601 4.3601 12.1656 12.1656 12.1705 12.1705 12.5761 12.5761 12.5862 12.5862 13.0683 13.0683 k = 0.3449 0.5598 0.5405 ( 4326 PWs) bands (ev): -13.1482 -13.1482 -13.1481 -13.1481 -10.3361 -10.3361 -10.3346 -10.3346 -9.3289 -9.3289 -9.3271 -9.3271 -2.1122 -2.1122 -2.1114 -2.1114 -2.0582 -2.0582 -2.0576 -2.0576 0.5344 0.5344 0.5390 0.5390 0.8307 0.8307 0.8357 0.8357 1.4861 1.4861 1.4980 1.4980 2.3847 2.3847 2.3877 2.3877 3.4210 3.4210 3.4217 3.4217 4.2450 4.2450 4.2486 4.2486 4.3591 4.3591 4.3601 4.3601 12.1656 12.1656 12.1705 12.1705 12.5761 12.5761 12.5862 12.5862 13.0683 13.0683 k = 0.3363 0.5458 0.5405 ( 4322 PWs) bands (ev): -13.1514 -13.1514 -13.1513 -13.1513 -10.3059 -10.3059 -10.3044 -10.3044 -9.3614 -9.3614 -9.3596 -9.3596 -2.1031 -2.1031 -2.1026 -2.1026 -2.0374 -2.0374 -2.0367 -2.0367 0.5123 0.5123 0.5167 0.5167 0.8234 0.8234 0.8287 0.8287 1.4870 1.4870 1.4990 1.4990 2.3722 2.3722 2.3753 2.3753 3.4296 3.4296 3.4302 3.4302 4.2734 4.2734 4.2769 4.2769 4.3297 4.3297 4.3306 4.3306 12.2148 12.2148 12.2198 12.2198 12.5804 12.5804 12.5910 12.5910 13.0358 13.0358 k = 0.3277 0.5318 0.5405 ( 4326 PWs) bands (ev): -13.1549 -13.1549 -13.1548 -13.1548 -10.2744 -10.2744 -10.2728 -10.2728 -9.3943 -9.3943 -9.3925 -9.3925 -2.1500 -2.1500 -2.1495 -2.1495 -1.9611 -1.9611 -1.9606 -1.9606 0.4882 0.4882 0.4924 0.4924 0.8160 0.8160 0.8217 0.8217 1.4892 1.4892 1.5011 1.5011 2.3609 2.3609 2.3642 2.3642 3.4373 3.4373 3.4376 3.4376 4.2999 4.2999 4.3007 4.3007 4.3045 4.3045 4.3077 4.3077 12.2612 12.2612 12.2662 12.2662 12.5826 12.5826 12.5938 12.5938 13.0075 13.0075 k = 0.3190 0.5178 0.5405 ( 4318 PWs) bands (ev): -13.1584 -13.1584 -13.1583 -13.1583 -10.2415 -10.2415 -10.2398 -10.2398 -9.4275 -9.4275 -9.4256 -9.4256 -2.1989 -2.1989 -2.1985 -2.1985 -1.8833 -1.8833 -1.8829 -1.8829 0.4622 0.4622 0.4662 0.4662 0.8085 0.8085 0.8145 0.8145 1.4926 1.4926 1.5044 1.5044 2.3509 2.3509 2.3544 2.3544 3.4440 3.4440 3.4441 3.4441 4.2732 4.2732 4.2742 4.2742 4.3343 4.3343 4.3377 4.3377 12.3028 12.3028 12.3076 12.3076 12.5822 12.5822 12.5937 12.5937 12.9856 12.9856 k = 0.3104 0.5038 0.5405 ( 4310 PWs) bands (ev): -13.1621 -13.1621 -13.1620 -13.1620 -10.2073 -10.2073 -10.2056 -10.2056 -9.4608 -9.4608 -9.4589 -9.4589 -2.2499 -2.2499 -2.2495 -2.2495 -1.8043 -1.8043 -1.8040 -1.8040 0.4343 0.4343 0.4380 0.4380 0.8009 0.8009 0.8072 0.8072 1.4974 1.4974 1.5090 1.5090 2.3425 2.3425 2.3462 2.3462 3.4495 3.4495 3.4497 3.4497 4.2468 4.2468 4.2478 4.2478 4.3664 4.3664 4.3696 4.3696 12.3372 12.3372 12.3417 12.3417 12.5785 12.5785 12.5903 12.5903 12.9723 12.9723 k = 0.3018 0.4898 0.5405 ( 4312 PWs) bands (ev): -13.1660 -13.1660 -13.1659 -13.1659 -10.1718 -10.1718 -10.1701 -10.1701 -9.4942 -9.4942 -9.4923 -9.4923 -2.3028 -2.3028 -2.3024 -2.3024 -1.7245 -1.7245 -1.7243 -1.7243 0.4046 0.4046 0.4081 0.4081 0.7933 0.7933 0.7998 0.7998 1.5035 1.5035 1.5148 1.5148 2.3357 2.3357 2.3395 2.3395 3.4540 3.4540 3.4544 3.4544 4.2216 4.2216 4.2226 4.2226 4.3995 4.3995 4.4026 4.4026 12.3619 12.3619 12.3661 12.3661 12.5708 12.5708 12.5829 12.5829 12.9700 12.9700 k = 0.2932 0.4758 0.5405 ( 4316 PWs) bands (ev): -13.1699 -13.1699 -13.1698 -13.1698 -10.1352 -10.1352 -10.1334 -10.1334 -9.5274 -9.5274 -9.5255 -9.5255 -2.3575 -2.3575 -2.3572 -2.3572 -1.6440 -1.6440 -1.6440 -1.6440 0.3733 0.3733 0.3765 0.3765 0.7855 0.7855 0.7925 0.7925 1.5109 1.5109 1.5220 1.5220 2.3306 2.3306 2.3347 2.3347 3.4575 3.4575 3.4582 3.4582 4.1979 4.1979 4.1988 4.1988 4.4334 4.4334 4.4364 4.4364 12.3754 12.3754 12.3790 12.3790 12.5588 12.5588 12.5711 12.5711 12.9805 12.9805 k = 0.2845 0.4618 0.5405 ( 4316 PWs) bands (ev): -13.1740 -13.1740 -13.1739 -13.1739 -10.0974 -10.0974 -10.0956 -10.0956 -9.5604 -9.5604 -9.5585 -9.5585 -2.4140 -2.4140 -2.4137 -2.4137 -1.5634 -1.5634 -1.5632 -1.5632 0.3405 0.3405 0.3434 0.3434 0.7778 0.7778 0.7851 0.7851 1.5197 1.5197 1.5305 1.5305 2.3274 2.3274 2.3317 2.3317 3.4601 3.4601 3.4611 3.4611 4.1755 4.1755 4.1764 4.1764 4.4681 4.4681 4.4709 4.4709 12.3773 12.3773 12.3804 12.3804 12.5421 12.5421 12.5544 12.5544 13.0038 13.0038 k = 0.2759 0.4478 0.5405 ( 4316 PWs) bands (ev): -13.1782 -13.1782 -13.1781 -13.1781 -10.0586 -10.0586 -10.0567 -10.0567 -9.5932 -9.5932 -9.5913 -9.5913 -2.4721 -2.4721 -2.4719 -2.4719 -1.4827 -1.4827 -1.4824 -1.4824 0.3063 0.3063 0.3089 0.3089 0.7701 0.7701 0.7777 0.7777 1.5297 1.5297 1.5402 1.5402 2.3261 2.3261 2.3306 2.3306 3.4619 3.4619 3.4632 3.4632 4.1547 4.1547 4.1555 4.1555 4.5033 4.5033 4.5059 4.5059 12.3689 12.3689 12.3715 12.3715 12.5204 12.5204 12.5328 12.5328 13.0386 13.0386 k = 0.2673 0.4338 0.5405 ( 4316 PWs) bands (ev): -13.1825 -13.1825 -13.1823 -13.1823 -10.0187 -10.0187 -10.0168 -10.0168 -9.6255 -9.6255 -9.6236 -9.6236 -2.5317 -2.5317 -2.5316 -2.5316 -1.4024 -1.4024 -1.4018 -1.4018 0.2711 0.2711 0.2734 0.2734 0.7625 0.7625 0.7704 0.7704 1.5410 1.5410 1.5510 1.5510 2.3268 2.3268 2.3315 2.3315 3.4629 3.4629 3.4645 3.4645 4.1353 4.1353 4.1360 4.1360 4.5390 4.5390 4.5414 4.5414 12.3525 12.3525 12.3547 12.3547 12.4938 12.4938 12.5062 12.5062 13.0823 13.0823 k = 0.2587 0.4198 0.5405 ( 4316 PWs) bands (ev): -13.1868 -13.1868 -13.1867 -13.1867 -9.9780 -9.9780 -9.9760 -9.9760 -9.6574 -9.6574 -9.6555 -9.6555 -2.5927 -2.5927 -2.5927 -2.5927 -1.3227 -1.3227 -1.3218 -1.3218 0.2349 0.2349 0.2369 0.2369 0.7549 0.7549 0.7631 0.7631 1.5533 1.5533 1.5630 1.5630 2.3296 2.3296 2.3345 2.3345 3.4632 3.4632 3.4651 3.4651 4.1174 4.1174 4.1181 4.1181 4.5750 4.5750 4.5772 4.5772 12.3304 12.3304 12.3323 12.3323 12.4625 12.4625 12.4747 12.4747 13.1323 13.1323 k = 0.2501 0.4058 0.5405 ( 4312 PWs) bands (ev): -13.1912 -13.1912 -13.1911 -13.1911 -9.9363 -9.9363 -9.9343 -9.9343 -9.6887 -9.6887 -9.6868 -9.6868 -2.6551 -2.6551 -2.6551 -2.6551 -1.2438 -1.2438 -1.2427 -1.2427 0.1980 0.1980 0.1998 0.1998 0.7475 0.7475 0.7560 0.7560 1.5667 1.5667 1.5760 1.5760 2.3345 2.3345 2.3395 2.3395 3.4630 3.4630 3.4652 3.4652 4.1010 4.1010 4.1016 4.1016 4.6111 4.6111 4.6132 4.6132 12.3048 12.3048 12.3063 12.3063 12.4267 12.4267 12.4387 12.4387 13.1859 13.1859 k = 0.2414 0.3919 0.5405 ( 4312 PWs) bands (ev): -13.1957 -13.1957 -13.1956 -13.1956 -9.8940 -9.8940 -9.8919 -9.8919 -9.7193 -9.7193 -9.7175 -9.7175 -2.7187 -2.7187 -2.7185 -2.7185 -1.1661 -1.1661 -1.1647 -1.1647 0.1606 0.1606 0.1621 0.1621 0.7402 0.7402 0.7490 0.7490 1.5810 1.5810 1.5900 1.5900 2.3414 2.3414 2.3467 2.3467 3.4622 3.4622 3.4647 3.4647 4.0861 4.0861 4.0866 4.0866 4.6473 4.6473 4.6491 4.6491 12.2771 12.2771 12.2785 12.2785 12.3867 12.3867 12.3985 12.3985 13.2410 13.2410 k = 0.2328 0.3779 0.5405 ( 4312 PWs) bands (ev): -13.2002 -13.2002 -13.2001 -13.2001 -9.8509 -9.8509 -9.8488 -9.8488 -9.7493 -9.7493 -9.7475 -9.7475 -2.7832 -2.7832 -2.7830 -2.7830 -1.0898 -1.0898 -1.0881 -1.0881 0.1229 0.1229 0.1242 0.1242 0.7331 0.7331 0.7423 0.7423 1.5962 1.5962 1.6048 1.6048 2.3504 2.3504 2.3559 2.3559 3.4609 3.4609 3.4638 3.4638 4.0725 4.0725 4.0730 4.0730 4.6833 4.6833 4.6850 4.6850 12.2487 12.2487 12.2499 12.2499 12.3432 12.3432 12.3546 12.3546 13.2953 13.2953 k = 0.2242 0.3639 0.5405 ( 4312 PWs) bands (ev): -13.2048 -13.2048 -13.2047 -13.2047 -9.8073 -9.8073 -9.8052 -9.8052 -9.7785 -9.7785 -9.7768 -9.7768 -2.8485 -2.8485 -2.8482 -2.8482 -1.0152 -1.0152 -1.0132 -1.0132 0.0851 0.0851 0.0862 0.0862 0.7264 0.7264 0.7358 0.7358 1.6120 1.6120 1.6203 1.6203 2.3614 2.3614 2.3671 2.3671 3.4594 3.4594 3.4626 3.4626 4.0604 4.0604 4.0608 4.0608 4.7191 4.7191 4.7206 4.7206 12.2204 12.2204 12.2215 12.2215 12.2965 12.2965 12.3076 12.3076 13.3470 13.3470 k = 0.2156 0.3499 0.5405 ( 4308 PWs) bands (ev): -13.2094 -13.2094 -13.2092 -13.2092 -9.8070 -9.8070 -9.8053 -9.8053 -9.7631 -9.7631 -9.7610 -9.7610 -2.9145 -2.9145 -2.9141 -2.9141 -0.9426 -0.9426 -0.9403 -0.9403 0.0474 0.0474 0.0483 0.0483 0.7199 0.7199 0.7296 0.7296 1.6285 1.6285 1.6364 1.6364 2.3742 2.3742 2.3801 2.3801 3.4577 3.4577 3.4613 3.4613 4.0495 4.0495 4.0498 4.0498 4.7545 4.7545 4.7558 4.7558 12.1928 12.1928 12.1940 12.1940 12.2474 12.2474 12.2579 12.2579 13.3937 13.3937 k = 0.2069 0.3359 0.5405 ( 4312 PWs) bands (ev): -13.2139 -13.2139 -13.2138 -13.2138 -9.8346 -9.8346 -9.8329 -9.8329 -9.7186 -9.7186 -9.7166 -9.7166 -2.9809 -2.9809 -2.9804 -2.9804 -0.8721 -0.8721 -0.8695 -0.8695 0.0100 0.0100 0.0107 0.0107 0.7139 0.7139 0.7238 0.7238 1.6456 1.6456 1.6530 1.6530 2.3889 2.3889 2.3950 2.3950 3.4559 3.4559 3.4598 3.4598 4.0399 4.0399 4.0401 4.0401 4.7894 4.7894 4.7905 4.7905 12.1663 12.1663 12.1677 12.1677 12.1965 12.1965 12.2062 12.2062 13.4332 13.4332 k = 0.1983 0.3219 0.5405 ( 4316 PWs) bands (ev): -13.2185 -13.2185 -13.2183 -13.2183 -9.8612 -9.8612 -9.8596 -9.8596 -9.6739 -9.6739 -9.6719 -9.6719 -3.0475 -3.0475 -3.0470 -3.0470 -0.8041 -0.8041 -0.8012 -0.8012 -0.0270 -0.0270 -0.0264 -0.0264 0.7083 0.7083 0.7185 0.7185 1.6630 1.6630 1.6701 1.6701 2.4052 2.4052 2.4114 2.4114 3.4542 3.4542 3.4585 3.4585 4.0314 4.0314 4.0316 4.0316 4.8237 4.8237 4.8246 4.8246 12.1374 12.1374 12.1431 12.1431 12.1482 12.1482 12.1531 12.1531 13.4629 13.4629 k = 0.1897 0.3079 0.5405 ( 4324 PWs) bands (ev): -13.2230 -13.2230 -13.2229 -13.2229 -9.8870 -9.8870 -9.8854 -9.8854 -9.6291 -9.6291 -9.6271 -9.6271 -3.1142 -3.1142 -3.1136 -3.1136 -0.7388 -0.7388 -0.7356 -0.7356 -0.0632 -0.0632 -0.0628 -0.0628 0.7033 0.7033 0.7137 0.7137 1.6806 1.6806 1.6874 1.6874 2.4228 2.4228 2.4292 2.4292 3.4528 3.4528 3.4573 3.4573 4.0240 4.0240 4.0242 4.0242 4.8572 4.8572 4.8580 4.8580 12.0878 12.0878 12.0984 12.0984 12.1210 12.1210 12.1215 12.1215 13.4807 13.4807 k = 0.1811 0.2939 0.5405 ( 4328 PWs) bands (ev): -13.2275 -13.2275 -13.2274 -13.2274 -9.9117 -9.9117 -9.9102 -9.9102 -9.5844 -9.5844 -9.5823 -9.5823 -3.1807 -3.1807 -3.1800 -3.1800 -0.6763 -0.6763 -0.6728 -0.6728 -0.0987 -0.0987 -0.0984 -0.0984 0.6988 0.6988 0.7094 0.7094 1.6985 1.6985 1.7049 1.7049 2.4417 2.4417 2.4482 2.4482 3.4517 3.4517 3.4565 3.4565 4.0177 4.0177 4.0178 4.0178 4.8899 4.8899 4.8905 4.8905 12.0337 12.0337 12.0435 12.0435 12.1008 12.1008 12.1010 12.1010 13.4849 13.4849 k = 0.1725 0.2799 0.5405 ( 4328 PWs) bands (ev): -13.2319 -13.2319 -13.2318 -13.2318 -9.9354 -9.9354 -9.9340 -9.9340 -9.5398 -9.5398 -9.5377 -9.5377 -3.2467 -3.2467 -3.2460 -3.2460 -0.6169 -0.6169 -0.6130 -0.6130 -0.1332 -0.1332 -0.1330 -0.1330 0.6951 0.6951 0.7058 0.7058 1.7164 1.7164 1.7225 1.7225 2.4614 2.4614 2.4681 2.4681 3.4511 3.4511 3.4563 3.4563 4.0123 4.0123 4.0123 4.0123 4.9216 4.9216 4.9220 4.9220 11.9793 11.9793 11.9885 11.9885 12.0830 12.0830 12.0831 12.0831 13.4753 13.4753 k = 0.1638 0.2659 0.5405 ( 4336 PWs) bands (ev): -13.2362 -13.2362 -13.2361 -13.2361 -9.9581 -9.9581 -9.9567 -9.9567 -9.4955 -9.4955 -9.4935 -9.4935 -3.3120 -3.3120 -3.3113 -3.3113 -0.5607 -0.5607 -0.5565 -0.5565 -0.1667 -0.1667 -0.1666 -0.1666 0.6921 0.6921 0.7029 0.7029 1.7343 1.7343 1.7400 1.7400 2.4818 2.4818 2.4886 2.4886 3.4512 3.4512 3.4567 3.4567 4.0077 4.0077 4.0077 4.0077 4.9523 4.9523 4.9525 4.9525 11.9250 11.9250 11.9338 11.9338 12.0676 12.0676 12.0678 12.0678 13.4531 13.4531 k = 0.1552 0.2519 0.5405 ( 4336 PWs) bands (ev): -13.2405 -13.2405 -13.2403 -13.2403 -9.9797 -9.9797 -9.9784 -9.9784 -9.4517 -9.4517 -9.4497 -9.4497 -3.3765 -3.3765 -3.3757 -3.3757 -0.5077 -0.5077 -0.5033 -0.5033 -0.1990 -0.1990 -0.1989 -0.1989 0.6898 0.6898 0.7007 0.7007 1.7520 1.7520 1.7574 1.7574 2.5024 2.5024 2.5094 2.5094 3.4522 3.4522 3.4579 3.4579 4.0039 4.0039 4.0040 4.0040 4.9818 4.9818 4.9819 4.9819 11.8715 11.8715 11.8797 11.8797 12.0548 12.0548 12.0550 12.0550 13.4205 13.4205 k = 0.1466 0.2379 0.5405 ( 4340 PWs) bands (ev): -13.2446 -13.2446 -13.2445 -13.2445 -10.0003 -10.0003 -9.9990 -9.9990 -9.4086 -9.4086 -9.4067 -9.4067 -3.4397 -3.4397 -3.4389 -3.4389 -0.4582 -0.4582 -0.4535 -0.4535 -0.2300 -0.2300 -0.2300 -0.2300 0.6885 0.6885 0.6993 0.6993 1.7694 1.7694 1.7745 1.7745 2.5231 2.5231 2.5301 2.5301 3.4541 3.4541 3.4600 3.4600 4.0008 4.0008 4.0010 4.0010 5.0100 5.0100 5.0100 5.0100 11.8189 11.8189 11.8267 11.8267 12.0444 12.0444 12.0447 12.0447 13.3805 13.3805 k = 0.1380 0.2239 0.5405 ( 4344 PWs) bands (ev): -13.2486 -13.2486 -13.2485 -13.2485 -10.0197 -10.0197 -10.0185 -10.0185 -9.3664 -9.3664 -9.3645 -9.3645 -3.5015 -3.5015 -3.5006 -3.5006 -0.4122 -0.4122 -0.4073 -0.4073 -0.2596 -0.2596 -0.2596 -0.2596 0.6879 0.6879 0.6987 0.6987 1.7865 1.7865 1.7912 1.7912 2.5434 2.5434 2.5504 2.5504 3.4572 3.4572 3.4632 3.4632 3.9984 3.9984 3.9985 3.9985 5.0368 5.0368 5.0370 5.0370 11.7677 11.7677 11.7750 11.7750 12.0365 12.0365 12.0368 12.0368 13.3356 13.3356 k = 0.1293 0.2099 0.5405 ( 4344 PWs) bands (ev): -13.2524 -13.2524 -13.2523 -13.2523 -10.0380 -10.0380 -10.0369 -10.0369 -9.3252 -9.3252 -9.3233 -9.3233 -3.5615 -3.5615 -3.5606 -3.5606 -0.3697 -0.3697 -0.3647 -0.3647 -0.2878 -0.2878 -0.2877 -0.2877 0.6883 0.6883 0.6989 0.6989 1.8031 1.8031 1.8075 1.8075 2.5630 2.5630 2.5700 2.5700 3.4614 3.4614 3.4675 3.4675 3.9965 3.9965 3.9967 3.9967 5.0622 5.0622 5.0625 5.0625 11.7181 11.7181 11.7250 11.7250 12.0308 12.0308 12.0312 12.0312 13.2883 13.2883 k = 0.1207 0.1959 0.5405 ( 4340 PWs) bands (ev): -13.2561 -13.2561 -13.2560 -13.2560 -10.0552 -10.0552 -10.0541 -10.0541 -9.2852 -9.2852 -9.2834 -9.2834 -3.6194 -3.6194 -3.6185 -3.6185 -0.3313 -0.3313 -0.3258 -0.3258 -0.3142 -0.3142 -0.3136 -0.3136 0.6895 0.6895 0.6999 0.6999 1.8192 1.8192 1.8233 1.8233 2.5817 2.5817 2.5886 2.5886 3.4668 3.4668 3.4730 3.4730 3.9952 3.9952 3.9953 3.9953 5.0861 5.0861 5.0865 5.0865 11.6705 11.6705 11.6769 11.6769 12.0272 12.0272 12.0276 12.0276 13.2403 13.2403 k = 0.1121 0.1819 0.5405 ( 4336 PWs) bands (ev): -13.2596 -13.2596 -13.2595 -13.2595 -10.0712 -10.0712 -10.0702 -10.0702 -9.2467 -9.2467 -9.2450 -9.2450 -3.6751 -3.6751 -3.6742 -3.6742 -0.3397 -0.3397 -0.3396 -0.3396 -0.2947 -0.2947 -0.2900 -0.2900 0.6915 0.6915 0.7016 0.7016 1.8346 1.8346 1.8384 1.8384 2.5993 2.5993 2.6059 2.6059 3.4735 3.4735 3.4796 3.4796 3.9942 3.9942 3.9944 3.9944 5.1086 5.1086 5.1091 5.1091 11.6251 11.6251 11.6311 11.6311 12.0255 12.0255 12.0259 12.0259 13.1933 13.1933 k = 0.1035 0.1679 0.5405 ( 4328 PWs) bands (ev): -13.2629 -13.2629 -13.2628 -13.2628 -10.0861 -10.0861 -10.0851 -10.0851 -9.2099 -9.2099 -9.2083 -9.2083 -3.7281 -3.7281 -3.7273 -3.7273 -0.3629 -0.3629 -0.3629 -0.3629 -0.2628 -0.2628 -0.2580 -0.2580 0.6943 0.6943 0.7040 0.7040 1.8492 1.8492 1.8527 1.8527 2.6154 2.6154 2.6219 2.6219 3.4812 3.4812 3.4873 3.4873 3.9936 3.9936 3.9938 3.9938 5.1295 5.1295 5.1300 5.1300 11.5821 11.5821 11.5876 11.5876 12.0253 12.0253 12.0258 12.0258 13.1482 13.1482 k = 0.0948 0.1539 0.5405 ( 4336 PWs) bands (ev): -13.2660 -13.2660 -13.2660 -13.2660 -10.0998 -10.0998 -10.0989 -10.0989 -9.1749 -9.1749 -9.1734 -9.1734 -3.7783 -3.7783 -3.7774 -3.7774 -0.3845 -0.3845 -0.3845 -0.3845 -0.2340 -0.2340 -0.2293 -0.2293 0.6976 0.6976 0.7069 0.7069 1.8630 1.8630 1.8662 1.8662 2.6300 2.6300 2.6362 2.6362 3.4900 3.4900 3.4958 3.4958 3.9934 3.9934 3.9936 3.9936 5.1488 5.1488 5.1494 5.1494 11.5418 11.5418 11.5468 11.5468 12.0265 12.0265 12.0270 12.0270 13.1061 13.1061 k = 0.0862 0.1399 0.5405 ( 4332 PWs) bands (ev): -13.2689 -13.2689 -13.2688 -13.2688 -10.1123 -10.1123 -10.1115 -10.1115 -9.1420 -9.1420 -9.1406 -9.1406 -3.8252 -3.8252 -3.8244 -3.8244 -0.4044 -0.4044 -0.4043 -0.4043 -0.2085 -0.2085 -0.2039 -0.2039 0.7015 0.7015 0.7102 0.7102 1.8760 1.8760 1.8788 1.8788 2.6430 2.6430 2.6488 2.6488 3.4995 3.4995 3.5051 3.5051 3.9933 3.9933 3.9935 3.9935 5.1665 5.1665 5.1671 5.1671 11.5043 11.5043 11.5089 11.5089 12.0285 12.0285 12.0290 12.0290 13.0677 13.0677 k = 0.0776 0.1260 0.5405 ( 4328 PWs) bands (ev): -13.2716 -13.2716 -13.2715 -13.2715 -10.1236 -10.1236 -10.1229 -10.1229 -9.1115 -9.1115 -9.1102 -9.1102 -3.8687 -3.8687 -3.8680 -3.8680 -0.4225 -0.4225 -0.4224 -0.4224 -0.1860 -0.1860 -0.1817 -0.1817 0.7058 0.7058 0.7139 0.7139 1.8879 1.8879 1.8905 1.8905 2.6544 2.6544 2.6598 2.6598 3.5096 3.5096 3.5149 3.5149 3.9935 3.9935 3.9937 3.9937 5.1825 5.1825 5.1832 5.1832 11.4699 11.4699 11.4740 11.4740 12.0313 12.0313 12.0317 12.0317 13.0333 13.0333 k = 0.0690 0.1120 0.5405 ( 4336 PWs) bands (ev): -13.2740 -13.2740 -13.2739 -13.2739 -10.1337 -10.1337 -10.1331 -10.1331 -9.0834 -9.0834 -9.0822 -9.0822 -3.9085 -3.9085 -3.9078 -3.9078 -0.4387 -0.4387 -0.4387 -0.4387 -0.1664 -0.1664 -0.1624 -0.1624 0.7103 0.7103 0.7177 0.7177 1.8988 1.8988 1.9011 1.9011 2.6642 2.6642 2.6691 2.6691 3.5199 3.5199 3.5248 3.5248 3.9937 3.9937 3.9939 3.9939 5.1969 5.1969 5.1975 5.1975 11.4386 11.4386 11.4423 11.4423 12.0343 12.0343 12.0347 12.0347 13.0034 13.0034 k = 0.0604 0.0980 0.5405 ( 4340 PWs) bands (ev): -13.2761 -13.2761 -13.2761 -13.2761 -10.1427 -10.1427 -10.1421 -10.1421 -9.0581 -9.0581 -9.0571 -9.0571 -3.9442 -3.9442 -3.9436 -3.9436 -0.4531 -0.4531 -0.4531 -0.4531 -0.1496 -0.1496 -0.1460 -0.1460 0.7149 0.7149 0.7214 0.7214 1.9085 1.9085 1.9105 1.9105 2.6724 2.6724 2.6769 2.6769 3.5302 3.5302 3.5346 3.5346 3.9941 3.9941 3.9943 3.9943 5.2096 5.2096 5.2102 5.2102 11.4107 11.4107 11.4140 11.4140 12.0373 12.0373 12.0377 12.0377 12.9780 12.9780 k = 0.0517 0.0840 0.5405 ( 4346 PWs) bands (ev): -13.2780 -13.2780 -13.2780 -13.2780 -10.1505 -10.1505 -10.1500 -10.1500 -9.0357 -9.0357 -9.0348 -9.0348 -3.9758 -3.9758 -3.9752 -3.9752 -0.4657 -0.4657 -0.4656 -0.4656 -0.1353 -0.1353 -0.1321 -0.1321 0.7193 0.7193 0.7250 0.7250 1.9171 1.9171 1.9189 1.9189 2.6793 2.6793 2.6832 2.6832 3.5400 3.5400 3.5438 3.5438 3.9945 3.9945 3.9946 3.9946 5.2206 5.2206 5.2212 5.2212 11.3864 11.3864 11.3891 11.3891 12.0401 12.0401 12.0404 12.0404 12.9571 12.9571 k = 0.0431 0.0700 0.5405 ( 4338 PWs) bands (ev): -13.2796 -13.2796 -13.2796 -13.2796 -10.1570 -10.1570 -10.1566 -10.1566 -9.0164 -9.0164 -9.0157 -9.0157 -4.0028 -4.0028 -4.0024 -4.0024 -0.4763 -0.4763 -0.4762 -0.4762 -0.1235 -0.1235 -0.1208 -0.1208 0.7234 0.7234 0.7283 0.7283 1.9245 1.9245 1.9260 1.9260 2.6849 2.6849 2.6882 2.6882 3.5490 3.5490 3.5523 3.5523 3.9949 3.9949 3.9950 3.9950 5.2300 5.2300 5.2304 5.2304 11.3656 11.3656 11.3679 11.3679 12.0425 12.0425 12.0428 12.0428 12.9405 12.9405 k = 0.0345 0.0560 0.5405 ( 4336 PWs) bands (ev): -13.2809 -13.2809 -13.2809 -13.2809 -10.1624 -10.1624 -10.1621 -10.1621 -9.0004 -9.0004 -8.9998 -8.9998 -4.0253 -4.0253 -4.0249 -4.0249 -0.4850 -0.4850 -0.4849 -0.4849 -0.1140 -0.1140 -0.1118 -0.1118 0.7271 0.7271 0.7311 0.7311 1.9307 1.9307 1.9318 1.9318 2.6893 2.6893 2.6920 2.6920 3.5569 3.5569 3.5596 3.5596 3.9953 3.9953 3.9954 3.9954 5.2376 5.2376 5.2380 5.2380 11.3485 11.3485 11.3503 11.3503 12.0445 12.0445 12.0447 12.0447 12.9278 12.9278 k = 0.0259 0.0420 0.5405 ( 4336 PWs) bands (ev): -13.2820 -13.2820 -13.2819 -13.2819 -10.1666 -10.1666 -10.1663 -10.1663 -8.9878 -8.9878 -8.9873 -8.9873 -4.0429 -4.0429 -4.0426 -4.0426 -0.4918 -0.4918 -0.4917 -0.4917 -0.1067 -0.1067 -0.1050 -0.1050 0.7303 0.7303 0.7333 0.7333 1.9355 1.9355 1.9363 1.9363 2.6927 2.6927 2.6947 2.6947 3.5635 3.5635 3.5655 3.5655 3.9956 3.9956 3.9957 3.9957 5.2435 5.2435 5.2439 5.2439 11.3351 11.3351 11.3365 11.3365 12.0460 12.0460 12.0461 12.0461 12.9185 12.9185 k = 0.0172 0.0280 0.5405 ( 4336 PWs) bands (ev): -13.2827 -13.2827 -13.2827 -13.2827 -10.1695 -10.1695 -10.1694 -10.1694 -8.9786 -8.9786 -8.9783 -8.9783 -4.0555 -4.0555 -4.0553 -4.0553 -0.4966 -0.4966 -0.4966 -0.4966 -0.1014 -0.1014 -0.1003 -0.1003 0.7328 0.7328 0.7348 0.7348 1.9390 1.9390 1.9396 1.9396 2.6951 2.6951 2.6965 2.6965 3.5684 3.5684 3.5698 3.5698 3.9959 3.9959 3.9959 3.9959 5.2478 5.2478 5.2480 5.2480 11.3256 11.3256 11.3266 11.3266 12.0470 12.0470 12.0471 12.0471 12.9123 12.9123 k = 0.0086 0.0140 0.5405 ( 4344 PWs) bands (ev): -13.2832 -13.2832 -13.2832 -13.2832 -10.1713 -10.1713 -10.1712 -10.1712 -8.9731 -8.9731 -8.9729 -8.9729 -4.0631 -4.0631 -4.0630 -4.0630 -0.4995 -0.4995 -0.4995 -0.4995 -0.0982 -0.0982 -0.0977 -0.0977 0.7345 0.7345 0.7355 0.7355 1.9412 1.9412 1.9415 1.9415 2.6967 2.6967 2.6974 2.6974 3.5716 3.5716 3.5723 3.5723 3.9960 3.9960 3.9961 3.9961 5.2504 5.2504 5.2505 5.2505 11.3200 11.3200 11.3205 11.3205 12.0476 12.0476 12.0477 12.0477 12.9088 12.9088 k = 0.0000 0.0000 0.5405 ( 4364 PWs) bands (ev): -13.2833 -13.2833 -13.2833 -13.2833 -10.1718 -10.1718 -10.1718 -10.1718 -8.9712 -8.9712 -8.9712 -8.9712 -4.0656 -4.0656 -4.0656 -4.0656 -0.5005 -0.5005 -0.5005 -0.5005 -0.0970 -0.0970 -0.0970 -0.0970 0.7354 0.7354 0.7354 0.7354 1.9420 1.9420 1.9420 1.9420 2.6974 2.6974 2.6974 2.6974 3.5729 3.5729 3.5729 3.5729 3.9961 3.9961 3.9961 3.9961 5.2513 5.2513 5.2513 5.2513 11.3183 11.3183 11.3183 11.3183 12.0478 12.0478 12.0478 12.0478 12.9076 12.9076 k = 0.0000 0.0000 0.5405 ( 4364 PWs) bands (ev): -13.2833 -13.2833 -13.2833 -13.2833 -10.1718 -10.1718 -10.1718 -10.1718 -8.9712 -8.9712 -8.9712 -8.9712 -4.0656 -4.0656 -4.0656 -4.0656 -0.5005 -0.5005 -0.5005 -0.5005 -0.0970 -0.0970 -0.0970 -0.0970 0.7354 0.7354 0.7354 0.7354 1.9420 1.9420 1.9420 1.9420 2.6974 2.6974 2.6974 2.6974 3.5729 3.5729 3.5729 3.5729 3.9961 3.9961 3.9961 3.9961 5.2513 5.2513 5.2513 5.2513 11.3183 11.3183 11.3183 11.3183 12.0478 12.0478 12.0478 12.0478 12.9076 12.9076 k = 0.0000 0.0000 0.5241 ( 4348 PWs) bands (ev): -13.2974 -13.2974 -13.2694 -13.2694 -10.2127 -10.2127 -10.1299 -10.1299 -8.9722 -8.9722 -8.9707 -8.9707 -4.0697 -4.0697 -4.0588 -4.0588 -0.5242 -0.5242 -0.4764 -0.4764 -0.1874 -0.1874 -0.0203 -0.0203 0.7260 0.7260 0.7586 0.7586 1.9211 1.9211 1.9580 1.9580 2.6966 2.6966 2.7002 2.7002 3.5631 3.5631 3.5824 3.5824 3.9706 3.9706 4.0205 4.0205 5.2304 5.2304 5.2708 5.2708 11.3214 11.3214 11.3254 11.3254 12.0428 12.0428 12.0520 12.0520 12.8775 12.8775 k = 0.0000 0.0000 0.5078 ( 4342 PWs) bands (ev): -13.3116 -13.3116 -13.2557 -13.2557 -10.2523 -10.2523 -10.0868 -10.0868 -8.9737 -8.9737 -8.9709 -8.9709 -4.0711 -4.0711 -4.0492 -4.0492 -0.5476 -0.5476 -0.4521 -0.4521 -0.2883 -0.2883 0.0400 0.0400 0.7274 0.7274 0.7980 0.7980 1.8955 1.8955 1.9690 1.9690 2.6975 2.6975 2.7050 2.7050 3.5532 3.5532 3.5916 3.5916 3.9441 3.9441 4.0438 4.0438 5.2082 5.2082 5.2888 5.2888 11.3346 11.3346 11.3425 11.3425 12.0375 12.0375 12.0545 12.0545 12.8448 12.8448 k = 0.0000 0.0000 0.4914 ( 4350 PWs) bands (ev): -13.3259 -13.3259 -13.2422 -13.2422 -10.2908 -10.2908 -10.0427 -10.0427 -8.9758 -8.9758 -8.9716 -8.9716 -4.0698 -4.0698 -4.0369 -4.0369 -0.5704 -0.5704 -0.4278 -0.4278 -0.3965 -0.3965 0.0827 0.0827 0.7370 0.7370 0.8542 0.8542 1.8653 1.8653 1.9749 1.9749 2.6999 2.6999 2.7121 2.7121 3.5430 3.5430 3.6006 3.6006 3.9170 3.9170 4.0659 4.0659 5.1847 5.1847 5.3055 5.3055 11.3578 11.3578 11.3697 11.3697 12.0326 12.0326 12.0540 12.0540 12.8115 12.8115 k = 0.0000 0.0000 0.4750 ( 4346 PWs) bands (ev): -13.3402 -13.3402 -13.2290 -13.2290 -10.3280 -10.3280 -9.9977 -9.9977 -8.9785 -8.9785 -8.9728 -8.9728 -4.0659 -4.0659 -4.0219 -4.0219 -0.5927 -0.5927 -0.5104 -0.5104 -0.4029 -0.4029 0.1093 0.1093 0.7526 0.7526 0.9256 0.9256 1.8306 1.8306 1.9757 1.9757 2.7037 2.7037 2.7217 2.7217 3.5327 3.5327 3.6092 3.6092 3.8894 3.8894 4.0867 4.0867 5.1601 5.1601 5.3206 5.3206 11.3908 11.3908 11.4067 11.4067 12.0282 12.0282 12.0491 12.0491 12.7800 12.7800 k = 0.0000 0.0000 0.4586 ( 4342 PWs) bands (ev): -13.3546 -13.3546 -13.2160 -13.2160 -10.3640 -10.3640 -9.9518 -9.9518 -8.9816 -8.9816 -8.9745 -8.9745 -4.0595 -4.0595 -4.0042 -4.0042 -0.6273 -0.6273 -0.6142 -0.6142 -0.3784 -0.3784 0.1227 0.1227 0.7727 0.7727 1.0086 1.0086 1.7918 1.7918 1.9712 1.9712 2.7087 2.7087 2.7341 2.7341 3.5223 3.5223 3.6175 3.6175 3.8615 3.8615 4.1063 4.1063 5.1343 5.1343 5.3343 5.3343 11.4335 11.4335 11.4533 11.4533 12.0246 12.0246 12.0382 12.0382 12.7529 12.7529 k = 0.0000 0.0000 0.4422 ( 4340 PWs) bands (ev): -13.3690 -13.3690 -13.2034 -13.2034 -10.3986 -10.3986 -9.9051 -9.9051 -8.9852 -8.9852 -8.9767 -8.9767 -4.0507 -4.0507 -3.9839 -3.9839 -0.7461 -0.7461 -0.6351 -0.6351 -0.3539 -0.3539 0.1262 0.1262 0.7961 0.7961 1.0996 1.0996 1.7488 1.7488 1.9615 1.9615 2.7147 2.7147 2.7496 2.7496 3.5118 3.5118 3.6255 3.6255 3.8338 3.8338 4.1247 4.1247 5.1075 5.1075 5.3466 5.3466 11.4854 11.4854 11.5092 11.5092 12.0198 12.0198 12.0218 12.0218 12.7323 12.7323 k = 0.0000 0.0000 0.4259 ( 4336 PWs) bands (ev): -13.3833 -13.3833 -13.1911 -13.1911 -10.4320 -10.4320 -9.8577 -9.8577 -8.9892 -8.9892 -8.9794 -8.9794 -4.0395 -4.0395 -3.9610 -3.9610 -0.8659 -0.8659 -0.6551 -0.6551 -0.3296 -0.3296 0.1227 0.1227 0.8220 0.8220 1.1951 1.1951 1.7022 1.7022 1.9466 1.9466 2.7217 2.7217 2.7684 2.7684 3.5012 3.5012 3.6331 3.6331 3.8064 3.8064 4.1421 4.1421 5.0799 5.0799 5.3575 5.3575 11.5462 11.5462 11.5740 11.5740 11.9928 11.9928 12.0199 12.0199 12.7201 12.7201 k = 0.0000 0.0000 0.4095 ( 4336 PWs) bands (ev): -13.3975 -13.3975 -13.1791 -13.1791 -10.4640 -10.4640 -9.8097 -9.8097 -8.9937 -8.9937 -8.9826 -8.9826 -4.0261 -4.0261 -3.9357 -3.9357 -0.9859 -0.9859 -0.6742 -0.6742 -0.3056 -0.3056 0.1143 0.1143 0.8499 0.8499 1.2923 1.2923 1.6519 1.6519 1.9266 1.9266 2.7295 2.7295 2.7910 2.7910 3.4906 3.4906 3.6403 3.6403 3.7797 3.7797 4.1585 4.1585 5.0514 5.0514 5.3671 5.3671 11.6154 11.6154 11.6474 11.6474 11.9569 11.9569 12.0188 12.0188 12.7172 12.7172 k = 0.0000 0.0000 0.3931 ( 4330 PWs) bands (ev): -13.4115 -13.4115 -13.1676 -13.1676 -10.4947 -10.4947 -9.7613 -9.7613 -8.9985 -8.9985 -8.9861 -8.9861 -4.0106 -4.0106 -3.9081 -3.9081 -1.1054 -1.1054 -0.6924 -0.6924 -0.2819 -0.2819 0.1026 0.1026 0.8793 0.8793 1.3891 1.3891 1.5984 1.5984 1.9015 1.9015 2.7378 2.7378 2.8177 2.8177 3.4800 3.4800 3.6471 3.6471 3.7540 3.7540 4.1740 4.1740 5.0224 5.0224 5.3754 5.3754 11.6925 11.6925 11.7288 11.7288 11.9126 11.9126 12.0183 12.0183 12.7236 12.7236 k = 0.0000 0.0000 0.3767 ( 4330 PWs) bands (ev): -13.4254 -13.4254 -13.1564 -13.1564 -10.5241 -10.5241 -9.7124 -9.7124 -9.0037 -9.0037 -8.9900 -8.9900 -3.9933 -3.9933 -3.8783 -3.8783 -1.2239 -1.2239 -0.7094 -0.7094 -0.2586 -0.2586 0.0888 0.0888 0.9099 0.9099 1.4836 1.4836 1.5420 1.5420 1.8717 1.8717 2.7466 2.7466 2.8487 2.8487 3.4694 3.4694 3.6535 3.6535 3.7294 3.7294 4.1888 4.1888 4.9928 4.9928 5.3824 5.3824 11.7768 11.7768 11.8179 11.8179 11.8609 11.8609 12.0185 12.0185 12.7386 12.7386 k = 0.0000 0.0000 0.3603 ( 4316 PWs) bands (ev): -13.4390 -13.4390 -13.1456 -13.1456 -10.5521 -10.5521 -9.6634 -9.6634 -9.0091 -9.0091 -8.9942 -8.9942 -3.9742 -3.9742 -3.8464 -3.8464 -1.3410 -1.3410 -0.7253 -0.7253 -0.2358 -0.2358 0.0737 0.0737 0.9413 0.9413 1.4828 1.4828 1.5747 1.5747 1.8373 1.8373 2.7557 2.7557 2.8845 2.8845 3.4590 3.4590 3.6594 3.6594 3.7064 3.7064 4.2030 4.2030 4.9629 4.9629 5.3884 5.3884 11.8029 11.8029 11.8678 11.8678 11.9142 11.9142 12.0190 12.0190 12.7611 12.7611 k = 0.0000 0.0000 0.3440 ( 4320 PWs) bands (ev): -13.4524 -13.4524 -13.1352 -13.1352 -10.5788 -10.5788 -9.6142 -9.6142 -9.0148 -9.0148 -8.9987 -8.9987 -3.9535 -3.9535 -3.8126 -3.8126 -1.4562 -1.4562 -0.7400 -0.7400 -0.2135 -0.2135 0.0577 0.0577 0.9734 0.9734 1.4214 1.4214 1.6610 1.6610 1.7986 1.7986 2.7649 2.7649 2.9252 2.9252 3.4488 3.4488 3.6640 3.6640 3.6857 3.6857 4.2167 4.2167 4.9329 4.9329 5.3933 5.3933 11.7404 11.7404 11.9645 11.9645 12.0167 12.0167 12.0202 12.0202 12.7900 12.7900 k = 0.0000 0.0000 0.3276 ( 4318 PWs) bands (ev): -13.4655 -13.4655 -13.1253 -13.1253 -10.6042 -10.6042 -9.5652 -9.5652 -9.0206 -9.0206 -9.0034 -9.0034 -3.9315 -3.9315 -3.7771 -3.7771 -1.5691 -1.5691 -0.7535 -0.7535 -0.1919 -0.1919 0.0413 0.0413 1.0059 1.0059 1.3581 1.3581 1.7416 1.7416 1.7562 1.7562 2.7742 2.7742 2.9708 2.9708 3.4387 3.4387 3.6598 3.6598 3.6751 3.6751 4.2299 4.2299 4.9027 4.9027 5.3973 5.3973 11.6744 11.6744 12.0202 12.0202 12.0659 12.0659 12.1262 12.1262 12.8241 12.8241 k = 0.0000 0.0000 0.3112 ( 4318 PWs) bands (ev): -13.4783 -13.4783 -13.1158 -13.1158 -10.6283 -10.6283 -9.5164 -9.5164 -9.0266 -9.0266 -9.0083 -9.0083 -3.9083 -3.9083 -3.7401 -3.7401 -1.6794 -1.6794 -0.7656 -0.7656 -0.1709 -0.1709 0.0249 0.0249 1.0387 1.0387 1.2933 1.2933 1.7101 1.7101 1.8164 1.8164 2.7833 2.7833 3.0212 3.0212 3.4290 3.4290 3.6433 3.6433 3.6782 3.6782 4.2427 4.2427 4.8727 4.8727 5.4006 5.4006 11.6060 11.6060 12.0207 12.0207 12.1701 12.1701 12.2407 12.2407 12.8613 12.8613 k = 0.0000 0.0000 0.2948 ( 4312 PWs) bands (ev): -13.4906 -13.4906 -13.1067 -13.1067 -10.6510 -10.6510 -9.4680 -9.4680 -9.0326 -9.0326 -9.0133 -9.0133 -3.8842 -3.8842 -3.7019 -3.7019 -1.7868 -1.7868 -0.7764 -0.7764 -0.1507 -0.1507 0.0086 0.0086 1.0715 1.0715 1.2273 1.2273 1.6612 1.6612 1.8846 1.8846 2.7921 2.7921 3.0760 3.0760 3.4197 3.4197 3.6267 3.6267 3.6827 3.6827 4.2552 4.2552 4.8430 4.8430 5.4031 5.4031 11.5362 11.5362 12.0208 12.0208 12.2748 12.2748 12.3603 12.3603 12.8608 12.8608 k = 0.0000 0.0000 0.2784 ( 4312 PWs) bands (ev): -13.5026 -13.5026 -13.0981 -13.0981 -10.6724 -10.6724 -9.4203 -9.4203 -9.0387 -9.0387 -9.0184 -9.0184 -3.8594 -3.8594 -3.6626 -3.6626 -1.8909 -1.8909 -0.7858 -0.7858 -0.1313 -0.1313 -0.0074 -0.0074 1.1041 1.1041 1.1608 1.1608 1.6098 1.6098 1.9462 1.9462 2.8004 2.8004 3.1345 3.1345 3.4111 3.4111 3.6115 3.6115 3.6872 3.6872 4.2674 4.2674 4.8138 4.8138 5.4051 5.4051 11.4658 11.4658 12.0204 12.0204 12.3752 12.3752 12.4843 12.4843 12.8537 12.8537 k = 0.0000 0.0000 0.2621 ( 4320 PWs) bands (ev): -13.5140 -13.5140 -13.0900 -13.0900 -10.6926 -10.6926 -9.3735 -9.3735 -9.0448 -9.0448 -9.0234 -9.0234 -3.8341 -3.8341 -3.6226 -3.6226 -1.9914 -1.9914 -0.7938 -0.7938 -0.1128 -0.1128 -0.0229 -0.0229 1.0936 1.0936 1.1368 1.1368 1.5566 1.5566 2.0015 2.0015 2.8083 2.8083 3.1953 3.1953 3.4038 3.4038 3.5977 3.5977 3.6917 3.6917 4.2794 4.2794 4.7851 4.7851 5.4066 5.4066 11.3954 11.3954 12.0192 12.0192 12.4618 12.4618 12.6122 12.6122 12.8490 12.8490 k = 0.0000 0.0000 0.2457 ( 4332 PWs) bands (ev): -13.5250 -13.5250 -13.0824 -13.0824 -10.7114 -10.7114 -9.3277 -9.3277 -9.0507 -9.0507 -9.0285 -9.0285 -3.8086 -3.8086 -3.5821 -3.5821 -2.0880 -2.0880 -0.8004 -0.8004 -0.0952 -0.0952 -0.0379 -0.0379 1.0271 1.0271 1.1686 1.1686 1.5020 1.5020 2.0508 2.0508 2.8154 2.8154 3.2561 3.2561 3.3991 3.3991 3.5854 3.5854 3.6960 3.6960 4.2910 4.2910 4.7572 4.7572 5.4079 5.4079 11.3257 11.3257 12.0174 12.0174 12.5175 12.5175 12.7433 12.7433 12.8470 12.8470 k = 0.0000 0.0000 0.2293 ( 4316 PWs) bands (ev): -13.5355 -13.5355 -13.0752 -13.0752 -10.7290 -10.7290 -9.2832 -9.2832 -9.0565 -9.0565 -9.0335 -9.0335 -3.7831 -3.7831 -3.5415 -3.5415 -2.1803 -2.1803 -0.8056 -0.8056 -0.0787 -0.0787 -0.0520 -0.0520 0.9613 0.9613 1.1998 1.1998 1.4467 1.4467 2.0946 2.0946 2.8219 2.8219 3.3103 3.3103 3.4029 3.4029 3.5744 3.5744 3.7002 3.7002 4.3024 4.3024 4.7303 4.7303 5.4090 5.4090 11.2572 11.2572 12.0149 12.0149 12.5274 12.5274 12.8476 12.8476 12.8770 12.8770 k = 0.0000 0.0000 0.2129 ( 4310 PWs) bands (ev): -13.5453 -13.5453 -13.0685 -13.0685 -10.7453 -10.7453 -9.2402 -9.2402 -9.0622 -9.0622 -9.0383 -9.0383 -3.7579 -3.7579 -3.5011 -3.5011 -2.2681 -2.2681 -0.8094 -0.8094 -0.0671 -0.0671 -0.0616 -0.0616 0.8967 0.8967 1.2303 1.2303 1.3914 1.3914 2.1334 2.1334 2.8276 2.8276 3.3406 3.3406 3.4310 3.4310 3.5648 3.5648 3.7043 3.7043 4.3134 4.3134 4.7044 4.7044 5.4100 5.4100 11.1905 11.1905 12.0117 12.0117 12.4994 12.4994 12.8510 12.8510 13.0126 13.0126 k = 0.0000 0.0000 0.1966 ( 4314 PWs) bands (ev): -13.5546 -13.5546 -13.0623 -13.0623 -10.7603 -10.7603 -9.1991 -9.1991 -9.0676 -9.0676 -9.0430 -9.0430 -3.7333 -3.7333 -3.4612 -3.4612 -2.3510 -2.3510 -0.8120 -0.8120 -0.0787 -0.0787 -0.0481 -0.0481 0.8338 0.8338 1.2597 1.2597 1.3366 1.3366 2.1676 2.1676 2.8324 2.8324 3.3459 3.3459 3.4836 3.4836 3.5566 3.5566 3.7083 3.7083 4.3240 4.3240 4.6798 4.6798 5.4111 5.4111 11.1261 11.1261 12.0078 12.0078 12.4524 12.4524 12.8567 12.8567 13.1493 13.1493 k = 0.0000 0.0000 0.1802 ( 4310 PWs) bands (ev): -13.5633 -13.5633 -13.0566 -13.0566 -10.7741 -10.7741 -9.1599 -9.1599 -9.0728 -9.0728 -9.0475 -9.0475 -3.7095 -3.7095 -3.4223 -3.4223 -2.4287 -2.4287 -0.8133 -0.8133 -0.0905 -0.0905 -0.0347 -0.0347 0.7733 0.7733 1.2826 1.2826 1.2882 1.2882 2.1978 2.1978 2.8363 2.8363 3.3431 3.3431 3.5388 3.5388 3.5537 3.5537 3.7122 3.7122 4.3341 4.3341 4.6565 4.6565 5.4122 5.4122 11.0644 11.0644 12.0035 12.0035 12.3986 12.3986 12.8646 12.8646 13.2386 13.2386 k = 0.0000 0.0000 0.1638 ( 4322 PWs) bands (ev): -13.5713 -13.5713 -13.0514 -13.0514 -10.7867 -10.7867 -9.1231 -9.1231 -9.0776 -9.0776 -9.0517 -9.0517 -3.6867 -3.6867 -3.3847 -3.3847 -2.5009 -2.5009 -0.8136 -0.8136 -0.1014 -0.1014 -0.0223 -0.0223 0.7156 0.7156 1.2310 1.2310 1.3147 1.3147 2.2244 2.2244 2.8394 2.8394 3.3382 3.3382 3.5412 3.5412 3.6043 3.6043 3.7161 3.7161 4.3438 4.3438 4.6348 4.6348 5.4135 5.4135 11.0060 11.0060 11.9989 11.9989 12.3441 12.3441 12.8743 12.8743 13.2840 13.2840 k = 0.0000 0.0000 0.1474 ( 4320 PWs) bands (ev): -13.5786 -13.5786 -13.0467 -13.0467 -10.7980 -10.7980 -9.0892 -9.0892 -9.0817 -9.0817 -9.0556 -9.0556 -3.6652 -3.6652 -3.3489 -3.3489 -2.5674 -2.5674 -0.8129 -0.8129 -0.1114 -0.1114 -0.0112 -0.0112 0.6613 0.6613 1.1815 1.1815 1.3398 1.3398 2.2476 2.2476 2.8417 2.8417 3.3328 3.3328 3.5360 3.5360 3.6605 3.6605 3.7202 3.7202 4.3528 4.3528 4.6146 4.6146 5.4150 5.4150 10.9514 10.9514 11.9941 11.9941 12.2917 12.2917 12.8854 12.8854 13.3268 13.3268 k = 0.0000 0.0000 0.1310 ( 4320 PWs) bands (ev): -13.5852 -13.5852 -13.0425 -13.0425 -10.8081 -10.8081 -9.0864 -9.0864 -9.0599 -9.0599 -9.0565 -9.0565 -3.6453 -3.6453 -3.3153 -3.3153 -2.6277 -2.6277 -0.8114 -0.8114 -0.1204 -0.1204 -0.0012 -0.0012 0.6109 0.6109 1.1351 1.1351 1.3630 1.3630 2.2679 2.2679 2.8433 2.8433 3.3274 3.3274 3.5314 3.5314 3.7098 3.7098 3.7275 3.7275 4.3612 4.3612 4.5962 4.5962 5.4167 5.4167 10.9010 10.9010 11.9893 11.9893 12.2429 12.2429 12.8976 12.8976 13.3664 13.3664 k = 0.0000 0.0000 0.1147 ( 4318 PWs) bands (ev): -13.5911 -13.5911 -13.0388 -13.0388 -10.8170 -10.8170 -9.0901 -9.0901 -9.0626 -9.0626 -9.0286 -9.0286 -3.6271 -3.6271 -3.2844 -3.2844 -2.6817 -2.6817 -0.8093 -0.8093 -0.1285 -0.1285 0.0076 0.0076 0.5650 0.5650 1.0923 1.0923 1.3842 1.3842 2.2854 2.2854 2.8443 2.8443 3.3224 3.3224 3.5274 3.5274 3.7242 3.7242 3.7649 3.7649 4.3688 4.3688 4.5797 4.5797 5.4185 5.4185 10.8552 10.8552 11.9846 11.9846 12.1986 12.1986 12.9101 12.9101 13.4022 13.4022 k = 0.0000 0.0000 0.0983 ( 4316 PWs) bands (ev): -13.5962 -13.5962 -13.0355 -13.0355 -10.8247 -10.8247 -9.0933 -9.0933 -9.0655 -9.0655 -9.0035 -9.0035 -3.6109 -3.6109 -3.2565 -3.2565 -2.7291 -2.7291 -0.8068 -0.8068 -0.1355 -0.1355 0.0151 0.0151 0.5240 0.5240 1.0539 1.0539 1.4030 1.4030 2.3003 2.3003 2.8448 2.8448 3.3179 3.3179 3.5241 3.5241 3.7279 3.7279 3.8073 3.8073 4.3755 4.3755 4.5652 4.5652 5.4204 5.4204 10.8145 10.8145 11.9803 11.9803 12.1594 12.1594 12.9227 12.9227 13.4338 13.4338 k = 0.0000 0.0000 0.0819 ( 4320 PWs) bands (ev): -13.6006 -13.6006 -13.0328 -13.0328 -10.8312 -10.8312 -9.0961 -9.0961 -9.0680 -9.0680 -8.9818 -8.9818 -3.5968 -3.5968 -3.2320 -3.2320 -2.7697 -2.7697 -0.8042 -0.8042 -0.1414 -0.1414 0.0214 0.0214 0.4885 0.4885 1.0202 1.0202 1.4194 1.4194 2.3127 2.3127 2.8449 2.8449 3.3140 3.3140 3.5214 3.5214 3.7308 3.7308 3.8444 3.8444 4.3814 4.3814 4.5527 4.5527 5.4223 5.4223 10.7793 10.7793 11.9763 11.9763 12.1257 12.1257 12.9346 12.9346 13.4607 13.4607 k = 0.0000 0.0000 0.0655 ( 4320 PWs) bands (ev): -13.6042 -13.6042 -13.0306 -13.0306 -10.8365 -10.8365 -9.0985 -9.0985 -9.0701 -9.0701 -8.9637 -8.9637 -3.5851 -3.5851 -3.2115 -3.2115 -2.8031 -2.8031 -0.8016 -0.8016 -0.1463 -0.1463 0.0265 0.0265 0.4589 0.4589 0.9918 0.9918 1.4331 1.4331 2.3228 2.3228 2.8448 2.8448 3.3107 3.3107 3.5192 3.5192 3.7332 3.7332 3.8753 3.8753 4.3863 4.3863 4.5423 4.5423 5.4241 5.4241 10.7500 10.7500 11.9730 11.9730 12.0978 12.0978 12.9454 12.9454 13.4827 13.4827 k = 0.0000 0.0000 0.0491 ( 4320 PWs) bands (ev): -13.6070 -13.6070 -13.0288 -13.0288 -10.8406 -10.8406 -9.1003 -9.1003 -9.0717 -9.0717 -8.9495 -8.9495 -3.5758 -3.5758 -3.1951 -3.1951 -2.8294 -2.8294 -0.7994 -0.7994 -0.1501 -0.1501 0.0304 0.0304 0.4355 0.4355 0.9693 0.9693 1.4439 1.4439 2.3306 2.3306 2.8445 2.8445 3.3080 3.3080 3.5176 3.5176 3.7351 3.7351 3.8996 3.8996 4.3902 4.3902 4.5342 4.5342 5.4256 5.4256 10.7268 10.7268 11.9702 11.9702 12.0759 12.0759 12.9545 12.9545 13.4998 13.4998 k = 0.0000 0.0000 0.0328 ( 4319 PWs) bands (ev): -13.6090 -13.6090 -13.0276 -13.0276 -10.8435 -10.8435 -9.1016 -9.1016 -9.0728 -9.0728 -8.9393 -8.9393 -3.5691 -3.5691 -3.1831 -3.1831 -2.8482 -2.8482 -0.7976 -0.7976 -0.1529 -0.1529 0.0332 0.0332 0.4186 0.4186 0.9529 0.9529 1.4517 1.4517 2.3361 2.3361 2.8442 2.8442 3.3061 3.3061 3.5165 3.5165 3.7365 3.7365 3.9172 3.9172 4.3930 4.3930 4.5284 4.5284 5.4268 5.4268 10.7101 10.7101 11.9682 11.9682 12.0602 12.0602 12.9614 12.9614 13.5120 13.5120 k = 0.0000 0.0000 0.0164 ( 4319 PWs) bands (ev): -13.6102 -13.6102 -13.0268 -13.0268 -10.8453 -10.8453 -9.1024 -9.1024 -9.0735 -9.0735 -8.9331 -8.9331 -3.5651 -3.5651 -3.1759 -3.1759 -2.8595 -2.8595 -0.7965 -0.7965 -0.1545 -0.1545 0.0348 0.0348 0.4083 0.4083 0.9429 0.9429 1.4565 1.4565 2.3394 2.3394 2.8440 2.8440 3.3050 3.3050 3.5158 3.5158 3.7373 3.7373 3.9278 3.9278 4.3946 4.3946 4.5249 4.5249 5.4276 5.4276 10.7000 10.7000 11.9670 11.9670 12.0507 12.0507 12.9657 12.9657 13.5192 13.5192 k = 0.0000 0.0000 0.0000 ( 4315 PWs) bands (ev): -13.6106 -13.6106 -13.0266 -13.0266 -10.8459 -10.8459 -9.1027 -9.1027 -9.0738 -9.0738 -8.9310 -8.9310 -3.5637 -3.5637 -3.1735 -3.1735 -2.8633 -2.8633 -0.7962 -0.7962 -0.1551 -0.1551 0.0354 0.0354 0.4049 0.4049 0.9396 0.9396 1.4581 1.4581 2.3405 2.3405 2.8440 2.8440 3.3046 3.3046 3.5155 3.5155 3.7376 3.7376 3.9313 3.9313 4.3952 4.3952 4.5237 4.5237 5.4278 5.4278 10.6966 10.6966 11.9666 11.9666 12.0476 12.0476 12.9672 12.9672 13.5216 13.5216 k = 0.0000 0.0000 0.0000 ( 4315 PWs) bands (ev): -13.6106 -13.6106 -13.0266 -13.0266 -10.8459 -10.8459 -9.1027 -9.1027 -9.0738 -9.0738 -8.9310 -8.9310 -3.5637 -3.5637 -3.1735 -3.1735 -2.8633 -2.8633 -0.7962 -0.7962 -0.1551 -0.1551 0.0354 0.0354 0.4049 0.4049 0.9396 0.9396 1.4581 1.4581 2.3405 2.3405 2.8440 2.8440 3.3046 3.3046 3.5155 3.5155 3.7376 3.7376 3.9313 3.9313 4.3952 4.3952 4.5237 4.5237 5.4278 5.4278 10.6966 10.6966 11.9666 11.9666 12.0476 12.0476 12.9672 12.9672 13.5216 13.5216 k =-0.0139 0.0086 0.0000 ( 4315 PWs) bands (ev): -13.6101 -13.6100 -13.0266 -13.0266 -10.8473 -10.8473 -9.1026 -9.1025 -9.0740 -9.0738 -8.9310 -8.9306 -3.5615 -3.5613 -3.1764 -3.1762 -2.8596 -2.8594 -0.7970 -0.7967 -0.1536 -0.1536 0.0337 0.0339 0.4037 0.4038 0.9385 0.9386 1.4593 1.4593 2.3417 2.3418 2.8435 2.8436 3.3038 3.3040 3.5126 3.5126 3.7370 3.7371 3.9308 3.9309 4.3940 4.3944 4.5259 4.5262 5.4272 5.4272 10.6999 10.6999 11.9428 11.9439 12.0710 12.0713 12.9675 12.9675 13.5209 13.5210 k =-0.0278 0.0171 0.0000 ( 4319 PWs) bands (ev): -13.6084 -13.6084 -13.0267 -13.0267 -10.8517 -10.8517 -9.1023 -9.1021 -9.0746 -9.0741 -8.9306 -8.9297 -3.5546 -3.5542 -3.1845 -3.1842 -2.8485 -2.8481 -0.7992 -0.7985 -0.1492 -0.1492 0.0290 0.0294 0.4003 0.4004 0.9355 0.9358 1.4630 1.4631 2.3454 2.3456 2.8422 2.8423 3.3015 3.3020 3.5038 3.5039 3.7354 3.7355 3.9294 3.9296 4.3910 4.3917 4.5325 4.5330 5.4253 5.4253 10.7098 10.7098 11.9004 11.9022 12.1141 12.1141 12.9682 12.9682 13.5188 13.5189 k =-0.0417 0.0257 0.0000 ( 4321 PWs) bands (ev): -13.6056 -13.6055 -13.0269 -13.0268 -10.8589 -10.8589 -9.1017 -9.1015 -9.0753 -9.0746 -8.9297 -8.9285 -3.5432 -3.5425 -3.1969 -3.1963 -2.8313 -2.8306 -0.8026 -0.8017 -0.1420 -0.1419 0.0212 0.0217 0.3946 0.3948 0.9306 0.9310 1.4693 1.4694 2.3516 2.3518 2.8400 2.8402 3.2976 3.2984 3.4895 3.4897 3.7328 3.7329 3.9270 3.9274 4.3870 4.3879 4.5428 4.5433 5.4221 5.4221 10.7261 10.7262 11.8554 11.8576 12.1603 12.1607 12.9695 12.9696 13.5152 13.5155 k =-0.0556 0.0342 0.0000 ( 4317 PWs) bands (ev): -13.6017 -13.6016 -13.0271 -13.0270 -10.8689 -10.8688 -9.1010 -9.1006 -9.0762 -9.0753 -8.9286 -8.9270 -3.5271 -3.5262 -3.2121 -3.2114 -2.8090 -2.8081 -0.8073 -0.8061 -0.1319 -0.1317 0.0104 0.0111 0.3868 0.3870 0.9238 0.9242 1.4780 1.4781 2.3602 2.3605 2.8370 2.8372 3.2918 3.2929 3.4699 3.4703 3.7290 3.7292 3.9238 3.9242 4.3826 4.3836 4.5559 4.5565 5.4177 5.4178 10.7488 10.7489 11.8107 11.8134 12.2066 12.2075 12.9714 12.9715 13.5102 13.5106 k =-0.0694 0.0428 0.0000 ( 4317 PWs) bands (ev): -13.5966 -13.5966 -13.0274 -13.0272 -10.8816 -10.8815 -9.1000 -9.0995 -9.0773 -9.0762 -8.9271 -8.9251 -3.5065 -3.5054 -3.2292 -3.2284 -2.7828 -2.7818 -0.8132 -0.8116 -0.1191 -0.1189 -0.0034 -0.0024 0.3768 0.3771 0.9150 0.9156 1.4890 1.4892 2.3710 2.3714 2.8333 2.8335 3.2837 3.2853 3.4459 3.4464 3.7243 3.7245 3.9196 3.9202 4.3784 4.3795 4.5710 4.5716 5.4122 5.4122 10.7777 10.7778 11.7676 11.7707 12.2521 12.2533 12.9740 12.9740 13.5037 13.5041 k =-0.0833 0.0513 0.0000 ( 4325 PWs) bands (ev): -13.5906 -13.5905 -13.0277 -13.0275 -10.8969 -10.8968 -9.0989 -9.0983 -9.0784 -9.0772 -8.9254 -8.9231 -3.4815 -3.4802 -3.2473 -3.2464 -2.7537 -2.7524 -0.8201 -0.8182 -0.1036 -0.1034 -0.0199 -0.0187 0.3648 0.3651 0.9044 0.9051 1.5025 1.5027 2.3841 2.3846 2.8287 2.8290 3.2725 3.2745 3.4183 3.4192 3.7184 3.7187 3.9146 3.9152 4.3750 4.3761 4.5876 4.5882 5.4055 5.4055 10.8125 10.8125 11.7265 11.7300 12.2958 12.2974 12.9772 12.9773 13.4956 13.4961 k =-0.0972 0.0599 0.0000 ( 4325 PWs) bands (ev): -13.5834 -13.5833 -13.0280 -13.0278 -10.9146 -10.9146 -9.0976 -9.0969 -9.0795 -9.0782 -8.9235 -8.9209 -3.4522 -3.4507 -3.2658 -3.2647 -2.7223 -2.7208 -0.8280 -0.8258 -0.0856 -0.0853 -0.0390 -0.0376 0.3509 0.3512 0.8920 0.8928 1.5182 1.5184 2.3992 2.3997 2.8234 2.8238 3.2569 3.2593 3.3891 3.3902 3.7116 3.7118 3.9087 3.9094 4.3724 4.3735 4.6052 4.6057 5.3977 5.3978 10.8528 10.8529 11.6881 11.6919 12.3375 12.3394 12.9812 12.9814 13.4860 13.4865 k =-0.1111 0.0685 0.0000 ( 4329 PWs) bands (ev): -13.5752 -13.5751 -13.0284 -13.0282 -10.9348 -10.9347 -9.0963 -9.0955 -9.0806 -9.0791 -8.9215 -8.9186 -3.4187 -3.4169 -3.2841 -3.2828 -2.6892 -2.6874 -0.8367 -0.8343 -0.0658 -0.0649 -0.0601 -0.0590 0.3352 0.3354 0.8778 0.8787 1.5361 1.5363 2.4161 2.4167 2.8175 2.8179 3.2349 3.2378 3.3604 3.3618 3.7037 3.7040 3.9019 3.9027 4.3708 4.3718 4.6234 4.6238 5.3889 5.3890 10.8985 10.8986 11.6525 11.6567 12.3765 12.3787 12.9862 12.9865 13.4747 13.4753 k =-0.1250 0.0770 0.0000 ( 4323 PWs) bands (ev): -13.5660 -13.5659 -13.0289 -13.0286 -10.9571 -10.9570 -9.0949 -9.0939 -9.0815 -9.0800 -8.9195 -8.9164 -3.3811 -3.3791 -3.3019 -3.3006 -2.6546 -2.6526 -0.8462 -0.8435 -0.0849 -0.0828 -0.0423 -0.0421 0.3177 0.3179 0.8618 0.8628 1.5561 1.5564 2.4348 2.4355 2.8109 2.8114 3.2047 3.2077 3.3349 3.3364 3.6949 3.6952 3.8943 3.8951 4.3702 4.3712 4.6420 4.6422 5.3793 5.3794 10.9490 10.9492 11.6202 11.6246 12.4125 12.4148 12.9924 12.9927 13.4619 13.4624 k =-0.1389 0.0856 0.0000 ( 4319 PWs) bands (ev): -13.5558 -13.5557 -13.0293 -13.0290 -10.9814 -10.9814 -9.0934 -9.0923 -9.0823 -9.0808 -8.9175 -8.9142 -3.3396 -3.3374 -3.3190 -3.3176 -2.6189 -2.6166 -0.8564 -0.8533 -0.1111 -0.1086 -0.0175 -0.0172 0.2986 0.2988 0.8440 0.8451 1.5782 1.5784 2.4549 2.4557 2.8038 2.8043 3.1657 3.1687 3.3134 3.3147 3.6851 3.6854 3.8858 3.8866 4.3707 4.3716 4.6606 4.6607 5.3688 5.3689 11.0042 11.0044 11.5914 11.5961 12.4451 12.4476 12.9998 13.0002 13.4475 13.4480 k =-0.1528 0.0941 0.0000 ( 4319 PWs) bands (ev): -13.5447 -13.5446 -13.0299 -13.0295 -11.0075 -11.0075 -9.0920 -9.0907 -9.0827 -9.0813 -8.9157 -8.9122 -3.3353 -3.3338 -3.2942 -3.2919 -2.5823 -2.5798 -0.8671 -0.8638 -0.1392 -0.1364 0.0095 0.0097 0.2781 0.2782 0.8245 0.8257 1.6022 1.6024 2.4763 2.4772 2.7961 2.7968 3.1192 3.1221 3.2952 3.2961 3.6743 3.6746 3.8765 3.8774 4.3720 4.3728 4.6790 4.6791 5.3576 5.3577 11.0635 11.0637 11.5662 11.5712 12.4739 12.4765 13.0087 13.0092 13.4316 13.4321 k =-0.1667 0.1027 0.0000 ( 4318 PWs) bands (ev): -13.5327 -13.5326 -13.0304 -13.0301 -11.0354 -11.0353 -9.0907 -9.0891 -9.0829 -9.0816 -8.9141 -8.9103 -3.3506 -3.3490 -3.2454 -3.2428 -2.5451 -2.5424 -0.8783 -0.8747 -0.1690 -0.1659 0.0383 0.0385 0.2563 0.2563 0.8033 0.8046 1.6280 1.6282 2.4986 2.4996 2.7880 2.7887 3.0671 3.0697 3.2789 3.2794 3.6627 3.6630 3.8665 3.8674 4.3740 4.3747 4.6971 4.6973 5.3457 5.3459 11.1265 11.1268 11.5450 11.5502 12.4987 12.5013 13.0191 13.0199 13.4143 13.4148 k =-0.1806 0.1112 0.0000 ( 4322 PWs) bands (ev): -13.5199 -13.5198 -13.0310 -13.0306 -11.0646 -11.0646 -9.0895 -9.0876 -9.0827 -9.0816 -8.9126 -8.9087 -3.3648 -3.3631 -3.1931 -3.1903 -2.5074 -2.5045 -0.8898 -0.8860 -0.2004 -0.1969 0.0688 0.0691 0.2332 0.2333 0.7804 0.7817 1.6555 1.6557 2.5216 2.5228 2.7795 2.7803 3.0109 3.0134 3.2633 3.2636 3.6502 3.6505 3.8557 3.8566 4.3767 4.3773 4.7147 4.7150 5.3334 5.3336 11.1929 11.1932 11.5278 11.5332 12.5194 12.5220 13.0313 13.0322 13.3957 13.3962 k =-0.1944 0.1198 0.0000 ( 4322 PWs) bands (ev): -13.5063 -13.5061 -13.0316 -13.0312 -11.0952 -11.0952 -9.0884 -9.0861 -9.0821 -9.0812 -8.9115 -8.9074 -3.3778 -3.3761 -3.1376 -3.1347 -2.4694 -2.4662 -0.9017 -0.8976 -0.2330 -0.2292 0.1010 0.1013 0.2090 0.2092 0.7558 0.7572 1.6847 1.6848 2.5448 2.5462 2.7707 2.7716 2.9520 2.9544 3.2479 3.2481 3.6368 3.6372 3.8442 3.8452 4.3798 4.3803 4.7318 4.7322 5.3207 5.3209 11.2622 11.2626 11.5147 11.5202 12.5359 12.5384 13.0451 13.0462 13.3759 13.3763 k =-0.2083 0.1284 0.0000 ( 4310 PWs) bands (ev): -13.4919 -13.4918 -13.0322 -13.0318 -11.1267 -11.1267 -9.0872 -9.0847 -9.0812 -9.0806 -8.9106 -8.9065 -3.3897 -3.3879 -3.0792 -3.0761 -2.4313 -2.4278 -0.9138 -0.9094 -0.2666 -0.2624 0.1345 0.1348 0.1840 0.1843 0.7296 0.7310 1.7153 1.7153 2.5676 2.5692 2.7616 2.7625 2.8918 2.8942 3.2323 3.2327 3.6227 3.6232 3.8321 3.8332 4.3833 4.3837 4.7482 4.7488 5.3077 5.3079 11.3340 11.3345 11.5057 11.5114 12.5483 12.5507 13.0605 13.0617 13.3549 13.3553 k =-0.2222 0.1369 0.0000 ( 4306 PWs) bands (ev): -13.4769 -13.4768 -13.0328 -13.0324 -11.1592 -11.1592 -9.0860 -9.0833 -9.0801 -9.0795 -8.9102 -8.9059 -3.4004 -3.3986 -3.0181 -3.0147 -2.3930 -2.3894 -0.9261 -0.9214 -0.3009 -0.2964 0.1580 0.1581 0.1698 0.1698 0.7016 0.7031 1.7472 1.7472 2.5887 2.5906 2.7522 2.7533 2.8318 2.8343 3.2164 3.2171 3.6079 3.6084 3.8194 3.8205 4.3869 4.3872 4.7639 4.7646 5.2946 5.2948 11.4079 11.4084 11.5009 11.5067 12.5567 12.5589 13.0773 13.0786 13.3330 13.3333 k =-0.2361 0.1455 0.0000 ( 4304 PWs) bands (ev): -13.4614 -13.4612 -13.0335 -13.0331 -11.1922 -11.1922 -9.0847 -9.0820 -9.0788 -9.0782 -8.9101 -8.9057 -3.4099 -3.4081 -2.9544 -2.9509 -2.3550 -2.3510 -0.9385 -0.9335 -0.3358 -0.3309 0.1316 0.1321 0.2053 0.2055 0.6720 0.6736 1.7803 1.7804 2.6054 2.6077 2.7425 2.7438 2.7753 2.7780 3.2004 3.2013 3.5924 3.5929 3.8063 3.8074 4.3905 4.3907 4.7789 4.7796 5.2815 5.2817 11.4835 11.4841 11.5003 11.5062 12.5613 12.5634 13.0951 13.0965 13.3103 13.3105 k =-0.2500 0.1540 0.0000 ( 4300 PWs) bands (ev): -13.4453 -13.4451 -13.0341 -13.0337 -11.2257 -11.2256 -9.0833 -9.0806 -9.0774 -9.0766 -8.9104 -8.9060 -3.4183 -3.4165 -2.8886 -2.8849 -2.3171 -2.3130 -0.9510 -0.9458 -0.3709 -0.3657 0.1047 0.1053 0.2417 0.2420 0.6410 0.6426 1.8145 1.8146 2.6095 2.6120 2.7304 2.7332 2.7335 2.7342 3.1844 3.1856 3.5763 3.5768 3.7926 3.7938 4.3940 4.3941 4.7930 4.7939 5.2685 5.2687 11.5037 11.5096 11.5604 11.5610 12.5625 12.5644 13.1138 13.1152 13.2869 13.2871 k =-0.2639 0.1626 0.0000 ( 4296 PWs) bands (ev): -13.4288 -13.4287 -13.0347 -13.0344 -11.2593 -11.2593 -9.0817 -9.0794 -9.0757 -9.0746 -8.9112 -8.9067 -3.4256 -3.4238 -2.8208 -2.8169 -2.2797 -2.2754 -0.9635 -0.9580 -0.4060 -0.4004 0.0775 0.0783 0.2785 0.2788 0.6087 0.6103 1.8496 1.8498 2.5864 2.5881 2.7141 2.7157 2.7229 2.7243 3.1687 3.1702 3.5596 3.5602 3.7787 3.7798 4.3973 4.3973 4.8064 4.8073 5.2557 5.2559 11.5111 11.5170 11.6380 11.6387 12.5604 12.5621 13.1328 13.1342 13.2629 13.2631 k =-0.2778 0.1711 0.0000 ( 4300 PWs) bands (ev): -13.4121 -13.4119 -13.0354 -13.0350 -11.2929 -11.2929 -9.0802 -9.0782 -9.0737 -9.0722 -8.9124 -8.9078 -3.4318 -3.4300 -2.7515 -2.7474 -2.2428 -2.2383 -0.9760 -0.9702 -0.4408 -0.4349 0.0502 0.0511 0.3149 0.3152 0.5756 0.5772 1.8854 1.8857 2.5400 2.5406 2.7129 2.7142 2.7203 2.7208 3.1537 3.1555 3.5424 3.5430 3.7643 3.7656 4.4002 4.4002 4.8190 4.8199 5.2432 5.2434 11.5222 11.5281 11.7161 11.7169 12.5554 12.5570 13.1519 13.1531 13.2388 13.2390 k =-0.2917 0.1797 0.0000 ( 4302 PWs) bands (ev): -13.3951 -13.3950 -13.0360 -13.0356 -11.3262 -11.3262 -9.0789 -9.0772 -9.0713 -9.0694 -8.9140 -8.9094 -3.4369 -3.4352 -2.6809 -2.6766 -2.2067 -2.2020 -0.9885 -0.9825 -0.4750 -0.4689 0.0230 0.0240 0.3495 0.3499 0.5430 0.5446 1.9218 1.9222 2.4855 2.4856 2.7027 2.7043 2.7331 2.7334 3.1402 3.1422 3.5248 3.5255 3.7498 3.7510 4.4027 4.4028 4.8307 4.8316 5.2310 5.2312 11.5370 11.5429 11.7942 11.7950 12.5477 12.5491 13.1704 13.1711 13.2148 13.2153 k =-0.3056 0.1883 0.0000 ( 4302 PWs) bands (ev): -13.3782 -13.3780 -13.0366 -13.0363 -11.3590 -11.3590 -9.0777 -9.0764 -9.0684 -9.0661 -8.9161 -8.9115 -3.4412 -3.4395 -2.6094 -2.6049 -2.1714 -2.1667 -1.0009 -0.9947 -0.5085 -0.5021 -0.0040 -0.0029 0.3787 0.3794 0.5144 0.5158 1.9585 1.9590 2.4294 2.4295 2.6924 2.6941 2.7459 2.7466 3.1286 3.1309 3.5069 3.5076 3.7351 3.7364 4.4049 4.4050 4.8416 4.8426 5.2194 5.2196 11.5552 11.5610 11.8718 11.8727 12.5375 12.5387 13.1810 13.1825 13.1969 13.1995 k =-0.3194 0.1968 0.0000 ( 4294 PWs) bands (ev): -13.3613 -13.3611 -13.0372 -13.0369 -11.3911 -11.3910 -9.0767 -9.0756 -9.0650 -9.0625 -8.9187 -8.9140 -3.4445 -3.4429 -2.5374 -2.5328 -2.1372 -2.1324 -1.0133 -1.0068 -0.5409 -0.5344 -0.0306 -0.0294 0.3920 0.3932 0.5002 0.5010 1.9955 1.9961 2.3744 2.3746 2.6820 2.6838 2.7565 2.7575 3.1199 3.1223 3.4888 3.4895 3.7203 3.7216 4.4066 4.4067 4.8517 4.8527 5.2084 5.2085 11.5765 11.5822 11.9485 11.9495 12.5250 12.5260 13.1630 13.1640 13.2093 13.2112 k =-0.3333 0.2054 0.0000 ( 4298 PWs) bands (ev): -13.3446 -13.3445 -13.0378 -13.0375 -11.4222 -11.4221 -9.0759 -9.0750 -9.0612 -9.0585 -8.9216 -8.9170 -3.4471 -3.4455 -2.4654 -2.4606 -2.1043 -2.0994 -1.0257 -1.0190 -0.5720 -0.5654 -0.0565 -0.0552 0.3782 0.3800 0.5114 0.5118 2.0325 2.0332 2.3215 2.3218 2.6715 2.6734 2.7635 2.7648 3.1146 3.1172 3.4707 3.4714 3.7056 3.7068 4.4079 4.4081 4.8610 4.8620 5.1979 5.1981 11.6007 11.6062 12.0238 12.0248 12.5103 12.5111 13.1403 13.1411 13.2258 13.2273 k =-0.3472 0.2139 0.0000 ( 4292 PWs) bands (ev): -13.3283 -13.3282 -13.0383 -13.0380 -11.4521 -11.4520 -9.0752 -9.0744 -9.0570 -9.0541 -8.9250 -8.9204 -3.4489 -3.4475 -2.3938 -2.3889 -2.0728 -2.0679 -1.0380 -1.0311 -0.6016 -0.5949 -0.0816 -0.0802 0.3471 0.3491 0.5385 0.5387 2.0692 2.0701 2.2715 2.2718 2.6609 2.6629 2.7663 2.7676 3.1134 3.1160 3.4526 3.4534 3.6909 3.6921 4.4088 4.4090 4.8696 4.8705 5.1882 5.1883 11.6274 11.6328 12.0972 12.0983 12.4935 12.4941 13.1181 13.1188 13.2416 13.2429 k =-0.3611 0.2225 0.0000 ( 4292 PWs) bands (ev): -13.3126 -13.3125 -13.0388 -13.0385 -11.4804 -11.4804 -9.0746 -9.0740 -9.0525 -9.0494 -8.9287 -8.9241 -3.4502 -3.4488 -2.3234 -2.3184 -2.0429 -2.0380 -1.0502 -1.0432 -0.6294 -0.6228 -0.1056 -0.1042 0.3097 0.3117 0.5704 0.5705 2.1055 2.1064 2.2248 2.2251 2.6501 2.6522 2.7648 2.7661 3.1161 3.1187 3.4348 3.4356 3.6764 3.6776 4.4093 4.4095 4.8773 4.8782 5.1791 5.1793 11.6562 11.6614 12.1681 12.1692 12.4748 12.4753 13.0969 13.0977 13.2563 13.2574 k =-0.3750 0.2310 0.0000 ( 4290 PWs) bands (ev): -13.2976 -13.2975 -13.0393 -13.0390 -11.5071 -11.5071 -9.0742 -9.0736 -9.0476 -9.0445 -8.9328 -8.9283 -3.4509 -3.4497 -2.2546 -2.2496 -2.0149 -2.0102 -1.0624 -1.0553 -0.6552 -0.6488 -0.1283 -0.1269 0.2703 0.2723 0.6030 0.6031 2.1410 2.1420 2.1817 2.1820 2.6391 2.6413 2.7595 2.7607 3.1224 3.1249 3.4175 3.4183 3.6622 3.6634 4.4095 4.4097 4.8843 4.8851 5.1709 5.1711 11.6868 11.6918 12.2359 12.2370 12.4544 12.4547 13.0773 13.0781 13.2699 13.2707 k =-0.3889 0.2396 0.0000 ( 4282 PWs) bands (ev): -13.2835 -13.2834 -13.0397 -13.0395 -11.5318 -11.5318 -9.0738 -9.0733 -9.0426 -9.0394 -8.9371 -8.9327 -3.4512 -3.4501 -2.1883 -2.1833 -1.9889 -1.9844 -1.0744 -1.0674 -0.6789 -0.6726 -0.1494 -0.1481 0.2307 0.2327 0.6347 0.6348 2.1426 2.1429 2.1754 2.1766 2.6279 2.6301 2.7512 2.7523 3.1314 3.1337 3.4010 3.4018 3.6484 3.6496 4.4095 4.4097 4.8906 4.8913 5.1635 5.1636 11.7186 11.7233 12.2998 12.3010 12.4325 12.4326 13.0595 13.0603 13.2821 13.2827 k =-0.4028 0.2482 0.0000 ( 4280 PWs) bands (ev): -13.2706 -13.2704 -13.0401 -13.0399 -11.5543 -11.5543 -9.0735 -9.0730 -9.0373 -9.0341 -8.9418 -8.9374 -3.4512 -3.4503 -2.1254 -2.1204 -1.9653 -1.9611 -1.0863 -1.0794 -0.7001 -0.6943 -0.1688 -0.1675 0.1923 0.1943 0.6646 0.6646 2.1076 2.1079 2.2085 2.2097 2.6166 2.6188 2.7410 2.7419 3.1423 3.1444 3.3854 3.3862 3.6353 3.6364 4.4092 4.4094 4.8961 4.8967 5.1569 5.1570 11.7511 11.7555 12.3592 12.3603 12.4093 12.4096 13.0439 13.0446 13.2930 13.2935 k =-0.4167 0.2567 0.0000 ( 4288 PWs) bands (ev): -13.2588 -13.2587 -13.0404 -13.0403 -11.5744 -11.5743 -9.0732 -9.0728 -9.0319 -9.0287 -8.9465 -8.9423 -3.4510 -3.4502 -2.0668 -2.0620 -1.9442 -1.9403 -1.0978 -1.0912 -0.7188 -0.7135 -0.1862 -0.1850 0.1561 0.1579 0.6919 0.6919 2.0769 2.0771 2.2397 2.2410 2.6051 2.6074 2.7298 2.7307 3.1540 3.1559 3.3712 3.3718 3.6230 3.6241 4.4089 4.4090 4.9008 4.9014 5.1511 5.1512 11.7836 11.7876 12.3853 12.3855 12.4134 12.4143 13.0307 13.0314 13.3024 13.3028 k =-0.4306 0.2653 0.0000 ( 4304 PWs) bands (ev): -13.2486 -13.2485 -13.0407 -13.0406 -11.5918 -11.5917 -9.0730 -9.0727 -9.0265 -9.0233 -8.9513 -8.9474 -3.4507 -3.4500 -2.0136 -2.0092 -1.9258 -1.9224 -1.1087 -1.1026 -0.7348 -0.7301 -0.2013 -0.2002 0.1232 0.1248 0.7161 0.7161 2.0507 2.0509 2.2686 2.2699 2.5937 2.5959 2.7188 2.7194 3.1658 3.1674 3.3584 3.3590 3.6118 3.6128 4.4084 4.4086 4.9049 4.9054 5.1462 5.1463 11.8151 11.8187 12.3614 12.3619 12.4609 12.4618 13.0200 13.0206 13.3105 13.3108 k =-0.4444 0.2738 0.0000 ( 4304 PWs) bands (ev): -13.2399 -13.2398 -13.0410 -13.0408 -11.6063 -11.6063 -9.0728 -9.0726 -9.0212 -9.0182 -8.9560 -8.9524 -3.4503 -3.4497 -1.9672 -1.9633 -1.9104 -1.9075 -1.1186 -1.1132 -0.7479 -0.7440 -0.2140 -0.2131 0.0945 0.0959 0.7367 0.7367 2.0291 2.0292 2.2946 2.2959 2.5828 2.5847 2.7086 2.7091 3.1767 3.1781 3.3475 3.3481 3.6020 3.6028 4.4080 4.4081 4.9082 4.9086 5.1422 5.1423 11.8447 11.8478 12.3384 12.3389 12.5012 12.5021 13.0118 13.0124 13.3171 13.3173 k =-0.4583 0.2824 0.0000 ( 4312 PWs) bands (ev): -13.2330 -13.2330 -13.0411 -13.0410 -11.6178 -11.6178 -9.0727 -9.0725 -9.0162 -9.0135 -8.9603 -8.9571 -3.4498 -3.4494 -1.9289 -1.9257 -1.8980 -1.8959 -1.1270 -1.1227 -0.7581 -0.7550 -0.2240 -0.2233 0.0711 0.0722 0.7532 0.7532 2.0121 2.0122 2.3168 2.3180 2.5727 2.5744 2.6999 2.7003 3.1861 3.1871 3.3388 3.3392 3.5940 3.5946 4.4076 4.4076 4.9108 4.9111 5.1391 5.1391 11.8710 11.8735 12.3176 12.3181 12.5335 12.5342 13.0062 13.0066 13.3223 13.3224 k =-0.4722 0.2910 0.0000 ( 4304 PWs) bands (ev): -13.2280 -13.2280 -13.0413 -13.0412 -11.6261 -11.6261 -9.0726 -9.0725 -9.0118 -9.0096 -8.9639 -8.9614 -3.4495 -3.4492 -1.9000 -1.8977 -1.8890 -1.8875 -1.1334 -1.1303 -0.7652 -0.7631 -0.2313 -0.2308 0.0538 0.0545 0.7653 0.7653 2.0000 2.0001 2.3342 2.3351 2.5644 2.5656 2.6934 2.6937 3.1934 3.1941 3.3323 3.3326 3.5879 3.5884 4.4073 4.4073 4.9126 4.9128 5.1368 5.1369 11.8921 11.8939 12.3006 12.3011 12.5571 12.5576 13.0026 13.0029 13.3260 13.3261 k =-0.4861 0.2995 0.0000 ( 4306 PWs) bands (ev): -13.2249 -13.2249 -13.0413 -13.0413 -11.6312 -11.6312 -9.0725 -9.0725 -9.0085 -9.0072 -8.9661 -8.9647 -3.4492 -3.4491 -1.8834 -1.8826 -1.8819 -1.8807 -1.1372 -1.1356 -0.7693 -0.7683 -0.2356 -0.2354 0.0431 0.0435 0.7727 0.7727 1.9927 1.9927 2.3455 2.3460 2.5589 2.5596 2.6894 2.6895 3.1980 3.1984 3.3284 3.3286 3.5842 3.5845 4.4070 4.4071 4.9137 4.9138 5.1355 5.1355 11.9061 11.9070 12.2894 12.2897 12.5714 12.5717 13.0008 13.0010 13.3283 13.3283 k =-0.5000 0.3081 0.0000 ( 4310 PWs) bands (ev): -13.2239 -13.2239 -13.0414 -13.0414 -11.6329 -11.6329 -9.0725 -9.0725 -9.0068 -9.0068 -8.9664 -8.9664 -3.4491 -3.4491 -1.8812 -1.8812 -1.8753 -1.8753 -1.1380 -1.1380 -0.7704 -0.7704 -0.2370 -0.2370 0.0397 0.0397 0.7752 0.7752 1.9902 1.9902 2.3497 2.3497 2.5571 2.5571 2.6880 2.6880 3.1997 3.1997 3.3272 3.3272 3.5831 3.5831 4.4070 4.4070 4.9141 4.9141 5.1350 5.1350 11.9113 11.9113 12.2855 12.2855 12.5763 12.5763 13.0003 13.0003 13.3290 13.3290 k =-0.5000 0.3081 0.0000 ( 4310 PWs) bands (ev): -13.2239 -13.2239 -13.0414 -13.0414 -11.6329 -11.6329 -9.0725 -9.0725 -9.0068 -9.0068 -8.9664 -8.9664 -3.4491 -3.4491 -1.8812 -1.8812 -1.8753 -1.8753 -1.1380 -1.1380 -0.7704 -0.7704 -0.2370 -0.2370 0.0397 0.0397 0.7752 0.7752 1.9902 1.9902 2.3497 2.3497 2.5571 2.5571 2.6880 2.6880 3.1997 3.1997 3.3272 3.3272 3.5831 3.5831 4.4070 4.4070 4.9141 4.9141 5.1350 5.1350 11.9113 11.9113 12.2855 12.2855 12.5763 12.5763 13.0003 13.0003 13.3290 13.3290 k =-0.4914 0.3221-0.0000 ( 4308 PWs) bands (ev): -13.2241 -13.2241 -13.0414 -13.0414 -11.6319 -11.6319 -9.0890 -9.0858 -9.0064 -9.0060 -8.9549 -8.9513 -3.4487 -3.4487 -1.9137 -1.9133 -1.8389 -1.8385 -1.1388 -1.1388 -0.7719 -0.7716 -0.2558 -0.2507 0.0525 0.0577 0.7752 0.7755 1.9904 1.9905 2.3478 2.3484 2.5551 2.5585 2.6877 2.6913 3.1978 3.1986 3.3279 3.3281 3.5828 3.5829 4.4079 4.4084 4.9106 4.9113 5.1342 5.1350 11.9124 11.9128 12.2864 12.2865 12.5802 12.5807 12.9888 12.9953 13.3374 13.3432 k =-0.4828 0.3360-0.0000 ( 4306 PWs) bands (ev): -13.2245 -13.2245 -13.0416 -13.0416 -11.6290 -11.6290 -9.1226 -9.1183 -9.0048 -9.0041 -8.9272 -8.9221 -3.4476 -3.4474 -1.9446 -1.9438 -1.7956 -1.7948 -1.1413 -1.1413 -0.7763 -0.7757 -0.2984 -0.2904 0.0894 0.0978 0.7755 0.7761 1.9909 1.9912 2.3427 2.3440 2.5526 2.5590 2.6904 2.6972 3.1929 3.1944 3.3302 3.3306 3.5822 3.5824 4.4113 4.4123 4.9007 4.9022 5.1325 5.1341 11.9161 11.9169 12.2892 12.2894 12.5921 12.5931 12.9647 12.9759 13.3661 13.3762 k =-0.4742 0.3500-0.0000 ( 4304 PWs) bands (ev): -13.2253 -13.2253 -13.0420 -13.0420 -11.6241 -11.6241 -9.1627 -9.1582 -9.0021 -9.0012 -8.8951 -8.8893 -3.4457 -3.4455 -1.9709 -1.9697 -1.7481 -1.7470 -1.1455 -1.1455 -0.7834 -0.7825 -0.3535 -0.3441 0.1388 0.1487 0.7761 0.7770 1.9920 1.9924 2.3345 2.3365 2.5499 2.5587 2.6962 2.7057 3.1850 3.1873 3.3342 3.3347 3.5812 3.5815 4.4170 4.4185 4.8851 4.8872 5.1298 5.1319 11.9224 11.9236 12.2938 12.2941 12.6118 12.6131 12.9338 12.9481 13.4097 13.4223 k =-0.4655 0.3640-0.0000 ( 4306 PWs) bands (ev): -13.2265 -13.2264 -13.0424 -13.0424 -11.6173 -11.6173 -9.2058 -9.2015 -8.9983 -8.9971 -8.8627 -8.8565 -3.4430 -3.4427 -1.9927 -1.9911 -1.6968 -1.6952 -1.1514 -1.1513 -0.7932 -0.7919 -0.4149 -0.4048 0.1935 0.2042 0.7768 0.7781 1.9935 1.9940 2.3232 2.3258 2.5471 2.5576 2.7049 2.7164 3.1743 3.1773 3.3397 3.3405 3.5799 3.5803 4.4250 4.4270 4.8641 4.8667 5.1256 5.1283 11.9314 11.9329 12.3003 12.3006 12.6387 12.6400 12.9008 12.9173 13.4631 13.4769 k =-0.4569 0.3780-0.0000 ( 4310 PWs) bands (ev): -13.2279 -13.2279 -13.0430 -13.0430 -11.6086 -11.6086 -9.2509 -9.2467 -8.9934 -8.9919 -8.8313 -8.8248 -3.4397 -3.4393 -2.0098 -2.0079 -1.6417 -1.6397 -1.1589 -1.1588 -0.8054 -0.8039 -0.4796 -0.4693 0.2502 0.2614 0.7775 0.7791 1.9956 1.9962 2.3086 2.3118 2.5444 2.5559 2.7165 2.7292 3.1607 3.1644 3.3469 3.3478 3.5782 3.5788 4.4354 4.4378 4.8385 4.8414 5.1198 5.1229 11.9431 11.9447 12.3085 12.3089 12.6712 12.6722 12.8695 12.8876 13.5230 13.5374 k =-0.4483 0.3920-0.0000 ( 4306 PWs) bands (ev): -13.2297 -13.2297 -13.0436 -13.0436 -11.5979 -11.5979 -9.2973 -9.2932 -8.9874 -8.9856 -8.8015 -8.7947 -3.4356 -3.4352 -2.0223 -2.0200 -1.5830 -1.5807 -1.1680 -1.1679 -0.8201 -0.8183 -0.5463 -0.5359 0.3074 0.3189 0.7781 0.7800 1.9984 1.9991 2.2907 2.2946 2.5418 2.5538 2.7305 2.7439 3.1445 3.1490 3.3556 3.3567 3.5763 3.5770 4.4479 4.4507 4.8087 4.8119 5.1121 5.1155 11.9574 11.9589 12.3183 12.3189 12.7059 12.7060 12.8445 12.8643 13.5874 13.6019 k =-0.4397 0.4060-0.0000 ( 4306 PWs) bands (ev): -13.2319 -13.2319 -13.0443 -13.0443 -11.5854 -11.5853 -9.3446 -9.3407 -8.9804 -8.9782 -8.7735 -8.7665 -3.4310 -3.4305 -2.0301 -2.0274 -1.5209 -1.5182 -1.1786 -1.1786 -0.8370 -0.8348 -0.6141 -0.6037 0.3642 0.3759 0.7784 0.7806 2.0019 2.0027 2.2696 2.2740 2.5393 2.5513 2.7468 2.7603 3.1258 3.1310 3.3658 3.3672 3.5741 3.5749 4.4625 4.4658 4.7754 4.7787 5.1025 5.1061 11.9742 11.9756 12.3298 12.3304 12.7312 12.7315 12.8379 12.8578 13.5851 13.5855 k =-0.4311 0.4199-0.0000 ( 4306 PWs) bands (ev): -13.2345 -13.2344 -13.0451 -13.0451 -11.5709 -11.5708 -9.3927 -9.3890 -8.9722 -8.9698 -8.7476 -8.7404 -3.4258 -3.4253 -2.0331 -2.0301 -1.4556 -1.4525 -1.1909 -1.1909 -0.8559 -0.8534 -0.6825 -0.6721 0.4202 0.4319 0.7782 0.7807 2.0063 2.0071 2.2451 2.2502 2.5372 2.5488 2.7650 2.7784 3.1048 3.1107 3.3776 3.3793 3.5718 3.5727 4.4792 4.4829 4.7390 4.7424 5.0909 5.0945 11.9933 11.9943 12.3428 12.3435 12.7320 12.7359 12.8651 12.8813 13.5491 13.5497 k =-0.4225 0.4339-0.0000 ( 4298 PWs) bands (ev): -13.2374 -13.2374 -13.0459 -13.0459 -11.5544 -11.5544 -9.4412 -9.4377 -8.9631 -8.9604 -8.7238 -8.7164 -3.4202 -3.4196 -2.0316 -2.0282 -1.3873 -1.3838 -1.2046 -1.2046 -0.8766 -0.8738 -0.7510 -0.7408 0.4750 0.4868 0.7773 0.7799 2.0117 2.0125 2.2173 2.2229 2.5353 2.5462 2.7850 2.7978 3.0817 3.0883 3.3909 3.3930 3.5693 3.5703 4.4978 4.5018 4.7001 4.7035 5.0773 5.0810 12.0145 12.0149 12.3571 12.3579 12.7178 12.7246 12.9165 12.9296 13.5094 13.5101 k =-0.4138 0.4479-0.0000 ( 4294 PWs) bands (ev): -13.2408 -13.2408 -13.0468 -13.0468 -11.5361 -11.5361 -9.4902 -9.4868 -8.9530 -8.9500 -8.7023 -8.6947 -3.4143 -3.4136 -2.0255 -2.0218 -1.3162 -1.3122 -1.2197 -1.2196 -0.8990 -0.8958 -0.8195 -0.8094 0.5284 0.5403 0.7754 0.7783 2.0181 2.0189 2.1861 2.1922 2.5338 2.5438 2.8065 2.8186 3.0568 3.0640 3.4056 3.4082 3.5667 3.5679 4.5181 4.5226 4.6590 4.6625 5.0618 5.0656 12.0369 12.0372 12.3726 12.3735 12.7017 12.7095 12.9793 12.9908 13.4667 13.4676 k =-0.4052 0.4619-0.0000 ( 4302 PWs) bands (ev): -13.2446 -13.2446 -13.0476 -13.0476 -11.5159 -11.5159 -9.5393 -9.5362 -8.9419 -8.9386 -8.6831 -8.6753 -3.4080 -3.4073 -2.0149 -2.0110 -1.2442 -1.2388 -1.2353 -1.2343 -0.9231 -0.9193 -0.8874 -0.8776 0.5804 0.5922 0.7723 0.7754 2.0257 2.0265 2.1514 2.1580 2.5327 2.5417 2.8292 2.8404 3.0302 3.0380 3.4218 3.4249 3.5641 3.5656 4.5402 4.5450 4.6163 4.6197 5.0446 5.0484 12.0596 12.0609 12.3891 12.3901 12.6883 12.6960 13.0489 13.0595 13.4217 13.4226 k =-0.3966 0.4759-0.0000 ( 4290 PWs) bands (ev): -13.2489 -13.2488 -13.0484 -13.0484 -11.4939 -11.4938 -9.5885 -9.5855 -8.9299 -8.9264 -8.6661 -8.6582 -3.4017 -3.4009 -2.0002 -1.9959 -1.2542 -1.2538 -1.1660 -1.1615 -0.9568 -0.9459 -0.9452 -0.9438 0.6307 0.6426 0.7679 0.7712 2.0346 2.0353 2.1134 2.1204 2.5320 2.5399 2.8528 2.8630 3.0022 3.0106 3.4394 3.4432 3.5617 3.5635 4.5635 4.5689 4.5723 4.5759 5.0258 5.0295 12.0824 12.0848 12.4063 12.4075 12.6797 12.6868 13.1234 13.1335 13.3748 13.3759 k =-0.3880 0.4899-0.0000 ( 4294 PWs) bands (ev): -13.2536 -13.2536 -13.0491 -13.0491 -11.4699 -11.4699 -9.6376 -9.6348 -8.9171 -8.9132 -8.6514 -8.6434 -3.3953 -3.3945 -1.9814 -1.9769 -1.2729 -1.2726 -1.0897 -1.0841 -1.0200 -1.0103 -0.9733 -0.9697 0.6795 0.6913 0.7620 0.7654 2.0447 2.0455 2.0719 2.0795 2.5318 2.5385 2.8771 2.8862 2.9731 2.9821 3.4582 3.4629 3.5594 3.5618 4.5273 4.5304 4.5889 4.5942 5.0057 5.0093 12.1042 12.1081 12.4239 12.4253 12.6772 12.6831 13.2018 13.2116 13.3265 13.3278 k =-0.3794 0.5039-0.0000 ( 4290 PWs) bands (ev): -13.2588 -13.2587 -13.0498 -13.0498 -11.4441 -11.4441 -9.6865 -9.6839 -8.9034 -8.8993 -8.6390 -8.6309 -3.3891 -3.3882 -1.9589 -1.9543 -1.2927 -1.2924 -1.0918 -1.0811 -1.0050 -0.9981 -0.9980 -0.9962 0.7265 0.7382 0.7544 0.7580 2.0272 2.0347 2.0568 2.0571 2.5320 2.5376 2.9018 2.9098 2.9431 2.9527 3.4781 3.4842 3.5575 3.5609 4.4817 4.4847 4.6152 4.6207 4.9843 4.9879 12.1244 12.1297 12.4416 12.4432 12.6818 12.6864 13.2762 13.2784 13.2845 13.2933 k =-0.3708 0.5178-0.0000 ( 4294 PWs) bands (ev): -13.2645 -13.2644 -13.0504 -13.0504 -11.4165 -11.4165 -9.7351 -9.7327 -8.8889 -8.8845 -8.6289 -8.6206 -3.3832 -3.3823 -1.9332 -1.9284 -1.3135 -1.3130 -1.1543 -1.1439 -1.0282 -1.0235 -0.9214 -0.9163 0.7446 0.7482 0.7725 0.7841 1.9792 1.9872 2.0699 2.0702 2.5328 2.5372 2.9122 2.9223 2.9269 2.9337 3.4983 3.5068 3.5560 3.5614 4.4357 4.4387 4.6426 4.6484 4.9620 4.9654 12.1420 12.1489 12.4590 12.4608 12.6944 12.6974 13.2273 13.2290 13.3678 13.3771 k =-0.3621 0.5318-0.0000 ( 4300 PWs) bands (ev): -13.2707 -13.2706 -13.0509 -13.0508 -11.3871 -11.3870 -9.7833 -9.7810 -8.8738 -8.8691 -8.6209 -8.6125 -3.3778 -3.3768 -1.9050 -1.9000 -1.3351 -1.3345 -1.2160 -1.2057 -1.0562 -1.0511 -0.8374 -0.8319 0.7331 0.7369 0.8165 0.8280 1.9281 1.9364 2.0846 2.0849 2.5342 2.5374 2.8812 2.8917 2.9514 2.9570 3.5174 3.5303 3.5557 3.5650 4.3897 4.3925 4.6709 4.6770 4.9388 4.9422 12.1565 12.1648 12.4755 12.4776 12.7154 12.7168 13.1773 13.1794 13.4540 13.4632 k =-0.3535 0.5458-0.0000 ( 4298 PWs) bands (ev): -13.2774 -13.2772 -13.0512 -13.0512 -11.3559 -11.3558 -9.8310 -9.8289 -8.8580 -8.8530 -8.6150 -8.6066 -3.3730 -3.3719 -1.8751 -1.8701 -1.3575 -1.3568 -1.2749 -1.2647 -1.0843 -1.0790 -0.7517 -0.7458 0.7195 0.7233 0.8592 0.8707 1.8741 1.8826 2.1011 2.1012 2.5363 2.5383 2.8498 2.8606 2.9756 2.9799 3.5320 3.5491 3.5623 3.5753 4.3438 4.3465 4.7002 4.7064 4.9151 4.9183 12.1676 12.1773 12.4904 12.4927 12.7448 12.7449 13.1279 13.1303 13.5416 13.5507 k =-0.3449 0.5598-0.0000 ( 4305 PWs) bands (ev): -13.2845 -13.2844 -13.0515 -13.0515 -11.3229 -11.3228 -9.8781 -9.8761 -8.8416 -8.8364 -8.6112 -8.6027 -3.3690 -3.3679 -1.8450 -1.8401 -1.3806 -1.3797 -1.3296 -1.3193 -1.1124 -1.1067 -0.6646 -0.6584 0.7037 0.7076 0.9006 0.9120 1.8174 1.8260 2.1192 2.1192 2.5390 2.5399 2.8181 2.8292 2.9990 3.0020 3.5400 3.5525 3.5864 3.5943 4.2983 4.3008 4.7301 4.7365 4.8909 4.8940 12.1756 12.1864 12.5028 12.5055 12.7812 12.7825 13.0797 13.0825 13.6303 13.6392 k =-0.3449 0.5598-0.0000 ( 4305 PWs) bands (ev): -13.2845 -13.2844 -13.0515 -13.0515 -11.3229 -11.3228 -9.8781 -9.8761 -8.8416 -8.8364 -8.6112 -8.6027 -3.3690 -3.3679 -1.8450 -1.8401 -1.3806 -1.3797 -1.3296 -1.3193 -1.1124 -1.1067 -0.6646 -0.6584 0.7037 0.7076 0.9006 0.9120 1.8174 1.8260 2.1192 2.1192 2.5390 2.5399 2.8181 2.8292 2.9990 3.0020 3.5400 3.5525 3.5864 3.5943 4.2983 4.3008 4.7301 4.7365 4.8909 4.8940 12.1756 12.1864 12.5028 12.5055 12.7812 12.7825 13.0797 13.0825 13.6303 13.6392 k =-0.3449 0.5598 0.0164 ( 4301 PWs) bands (ev): -13.2843 -13.2842 -13.0516 -13.0516 -11.3219 -11.3218 -9.8776 -9.8756 -8.8439 -8.8387 -8.6121 -8.6036 -3.3666 -3.3655 -1.8524 -1.8475 -1.3809 -1.3801 -1.3196 -1.3093 -1.1110 -1.1052 -0.6680 -0.6619 0.7043 0.7082 0.9022 0.9136 1.8157 1.8243 2.1187 2.1187 2.5391 2.5400 2.8170 2.8281 3.0006 3.0036 3.5376 3.5489 3.5904 3.5971 4.2981 4.3006 4.7299 4.7363 4.8901 4.8932 12.1719 12.1827 12.5006 12.5033 12.7830 12.7841 13.0756 13.0784 13.6359 13.6448 k =-0.3449 0.5598 0.0328 ( 4300 PWs) bands (ev): -13.2838 -13.2837 -13.0518 -13.0518 -11.3190 -11.3189 -9.8760 -9.8740 -8.8509 -8.8457 -8.6148 -8.6064 -3.3594 -3.3584 -1.8729 -1.8679 -1.3818 -1.3811 -1.2911 -1.2809 -1.1066 -1.1009 -0.6782 -0.6722 0.7061 0.7100 0.9070 0.9182 1.8107 1.8191 2.1170 2.1171 2.5397 2.5405 2.8139 2.8248 3.0054 3.0083 3.5315 3.5409 3.5998 3.6046 4.2974 4.2999 4.7293 4.7357 4.8878 4.8909 12.1612 12.1719 12.4942 12.4968 12.7880 12.7887 13.0633 13.0661 13.6527 13.6613 k =-0.3449 0.5598 0.0491 ( 4298 PWs) bands (ev): -13.2829 -13.2828 -13.0523 -13.0523 -11.3141 -11.3140 -9.8733 -9.8713 -8.8624 -8.8573 -8.6194 -8.6111 -3.3475 -3.3466 -1.9029 -1.8978 -1.3835 -1.3828 -1.2479 -1.2378 -1.0992 -1.0935 -0.6948 -0.6890 0.7090 0.7129 0.9146 0.9255 1.8023 1.8106 2.1143 2.1143 2.5406 2.5413 2.8086 2.8193 3.0132 3.0161 3.5235 3.5315 3.6113 3.6148 4.2963 4.2987 4.7283 4.7346 4.8840 4.8870 12.1445 12.1550 12.4837 12.4863 12.7960 12.7961 13.0429 13.0456 13.6796 13.6877 k =-0.3449 0.5598 0.0655 ( 4308 PWs) bands (ev): -13.2817 -13.2816 -13.0529 -13.0529 -11.3073 -11.3073 -9.8695 -9.8675 -8.8784 -8.8733 -8.6259 -8.6176 -3.3311 -3.3302 -1.9386 -1.9334 -1.3861 -1.3855 -1.1938 -1.1838 -1.0887 -1.0830 -0.7175 -0.7120 0.7132 0.7171 0.9248 0.9353 1.7908 1.7987 2.1105 2.1105 2.5422 2.5427 2.8011 2.8114 3.0238 3.0266 3.5147 3.5218 3.6240 3.6267 4.2948 4.2972 4.7268 4.7331 4.8786 4.8816 12.1231 12.1334 12.4694 12.4719 12.8057 12.8063 13.0147 13.0172 13.7154 13.7229 k =-0.3449 0.5598 0.0819 ( 4308 PWs) bands (ev): -13.2801 -13.2800 -13.0537 -13.0537 -11.2986 -11.2986 -9.8646 -9.8627 -8.8987 -8.8937 -8.6341 -8.6259 -3.3103 -3.3095 -1.9771 -1.9719 -1.3897 -1.3891 -1.1319 -1.1219 -1.0748 -1.0692 -0.7457 -0.7405 0.7185 0.7225 0.9370 0.9471 1.7761 1.7837 2.1056 2.1057 2.5446 2.5449 2.7914 2.8012 3.0371 3.0398 3.5057 3.5122 3.6374 3.6396 4.2929 4.2952 4.7249 4.7311 4.8717 4.8747 12.0986 12.1087 12.4517 12.4541 12.8170 12.8184 12.9793 12.9817 13.7581 13.7646 k =-0.3449 0.5598 0.0983 ( 4308 PWs) bands (ev): -13.2782 -13.2781 -13.0546 -13.0546 -11.2880 -11.2879 -9.8587 -9.8568 -8.9233 -8.9183 -8.6440 -8.6359 -3.2853 -3.2846 -2.0165 -2.0113 -1.3946 -1.3940 -1.0655 -1.0564 -1.0545 -1.0519 -0.7787 -0.7737 0.7250 0.7291 0.9507 0.9603 1.7585 1.7656 2.0997 2.0998 2.5480 2.5481 2.7792 2.7884 3.0527 3.0553 3.4967 3.5028 3.6513 3.6533 4.2906 4.2929 4.7224 4.7286 4.8633 4.8663 12.0724 12.0823 12.4309 12.4331 12.8298 12.8320 12.9378 12.9401 13.7671 13.7677 k =-0.3449 0.5598 0.1147 ( 4312 PWs) bands (ev): -13.2760 -13.2759 -13.0558 -13.0557 -11.2754 -11.2754 -9.8516 -9.8498 -8.9518 -8.9469 -8.6557 -8.6478 -3.2564 -3.2558 -2.0554 -2.0503 -1.4007 -1.4001 -1.0371 -1.0312 -0.9931 -0.9838 -0.8149 -0.8101 0.7327 0.7368 0.9654 0.9744 1.7380 1.7447 2.0929 2.0931 2.5523 2.5526 2.7646 2.7731 3.0704 3.0729 3.4878 3.4936 3.6657 3.6676 4.2880 4.2902 4.7192 4.7253 4.8534 4.8563 12.0458 12.0558 12.4071 12.4091 12.8437 12.8467 12.8918 12.8941 13.7608 13.7615 k =-0.3449 0.5598 0.1310 ( 4317 PWs) bands (ev): -13.2735 -13.2733 -13.0571 -13.0571 -11.2609 -11.2609 -9.8436 -9.8417 -8.9840 -8.9793 -8.6691 -8.6613 -3.2239 -3.2234 -2.0929 -2.0880 -1.4083 -1.4077 -1.0124 -1.0067 -0.9265 -0.9181 -0.8475 -0.8421 0.7415 0.7458 0.9806 0.9889 1.7149 1.7210 2.0854 2.0856 2.5577 2.5583 2.7473 2.7551 3.0900 3.0923 3.4791 3.4847 3.6805 3.6824 4.2851 4.2873 4.7154 4.7214 4.8421 4.8449 12.0202 12.0301 12.3804 12.3822 12.8429 12.8450 12.8588 12.8627 13.7541 13.7547 k =-0.3449 0.5598 0.1474 ( 4313 PWs) bands (ev): -13.2706 -13.2705 -13.0586 -13.0585 -11.2446 -11.2445 -9.8344 -9.8326 -9.0198 -9.0152 -8.6841 -8.6764 -3.1881 -3.1878 -2.1286 -2.1238 -1.4173 -1.4167 -0.9840 -0.9784 -0.9196 -0.9154 -0.8208 -0.8117 0.7516 0.7560 0.9957 1.0034 1.6892 1.6947 2.0773 2.0776 2.5643 2.5651 2.7273 2.7342 3.1110 3.1132 3.4706 3.4761 3.6956 3.6976 4.2820 4.2842 4.7108 4.7167 4.8294 4.8321 11.9963 12.0063 12.3509 12.3524 12.7936 12.7957 12.8744 12.8790 13.7462 13.7467 k =-0.3449 0.5598 0.1638 ( 4317 PWs) bands (ev): -13.2675 -13.2673 -13.0602 -13.0602 -11.2263 -11.2262 -9.8242 -9.8225 -9.0589 -9.0544 -8.7006 -8.6931 -3.1493 -3.1491 -2.1619 -2.1573 -1.4279 -1.4273 -0.9626 -0.9584 -0.9509 -0.9461 -0.7460 -0.7363 0.7630 0.7675 1.0103 1.0174 1.6612 1.6661 2.0688 2.0693 2.5719 2.5730 2.7043 2.7104 3.1334 3.1355 3.4624 3.4677 3.7110 3.7132 4.2788 4.2809 4.7053 4.7111 4.8152 4.8179 11.9752 11.9852 12.3184 12.3196 12.7456 12.7475 12.8909 12.8961 13.7366 13.7371 k =-0.3449 0.5598 0.1802 ( 4313 PWs) bands (ev): -13.2640 -13.2639 -13.0621 -13.0621 -11.2062 -11.2061 -9.8129 -9.8112 -9.1010 -9.0967 -8.7186 -8.7113 -3.1078 -3.1078 -2.1927 -2.1882 -1.4399 -1.4394 -1.0111 -1.0079 -0.9155 -0.9103 -0.6647 -0.6550 0.7755 0.7802 1.0241 1.0305 1.6310 1.6353 2.0603 2.0609 2.5805 2.5818 2.6784 2.6836 3.1567 3.1587 3.4543 3.4595 3.7267 3.7290 4.2756 4.2776 4.6988 4.7045 4.7998 4.8024 11.9574 11.9674 12.2828 12.2838 12.7008 12.7025 12.9079 12.9138 13.7247 13.7251 k =-0.3449 0.5598 0.1966 ( 4327 PWs) bands (ev): -13.2603 -13.2602 -13.0641 -13.0641 -11.1842 -11.1841 -9.8005 -9.7990 -9.1459 -9.1417 -8.7381 -8.7310 -3.0642 -3.0641 -2.2207 -2.2164 -1.4535 -1.4530 -1.0630 -1.0602 -0.8756 -0.8706 -0.5813 -0.5715 0.7893 0.7941 1.0366 1.0424 1.5989 1.6025 2.0521 2.0528 2.5896 2.5912 2.6494 2.6536 3.1808 3.1827 3.4466 3.4517 3.7426 3.7452 4.2723 4.2743 4.6913 4.6968 4.7832 4.7856 11.9433 11.9535 12.2444 12.2449 12.6606 12.6621 12.9252 12.9318 13.7101 13.7104 k =-0.3449 0.5598 0.2129 ( 4321 PWs) bands (ev): -13.2563 -13.2562 -13.0663 -13.0663 -11.1603 -11.1602 -9.7871 -9.7857 -9.1934 -9.1893 -8.7589 -8.7521 -3.0186 -3.0184 -2.2458 -2.2417 -1.4687 -1.4681 -1.1168 -1.1143 -0.8319 -0.8271 -0.4967 -0.4870 0.8043 0.8093 1.0478 1.0529 1.5649 1.5679 2.0444 2.0453 2.5990 2.6006 2.6174 2.6207 3.2053 3.2071 3.4391 3.4441 3.7589 3.7617 4.2692 4.2712 4.6826 4.6880 4.7654 4.7677 11.9335 11.9438 12.2036 12.2037 12.6260 12.6273 12.9427 12.9499 13.6922 13.6926 k =-0.3449 0.5598 0.2293 ( 4326 PWs) bands (ev): -13.2521 -13.2520 -13.0687 -13.0687 -11.1347 -11.1345 -9.7727 -9.7714 -9.2430 -9.2391 -8.7811 -8.7744 -2.9715 -2.9711 -2.2678 -2.2639 -1.4853 -1.4848 -1.1719 -1.1697 -0.7846 -0.7799 -0.4115 -0.4018 0.8206 0.8258 1.0573 1.0618 1.5292 1.5316 2.0377 2.0388 2.5814 2.5834 2.6091 2.6112 3.2299 3.2317 3.4319 3.4368 3.7755 3.7785 4.2664 4.2683 4.6727 4.6780 4.7465 4.7487 11.9281 11.9385 12.1608 12.1612 12.5974 12.5983 12.9600 12.9678 13.6709 13.6712 k =-0.3449 0.5598 0.2457 ( 4321 PWs) bands (ev): -13.2477 -13.2476 -13.0713 -13.0713 -11.1072 -11.1070 -9.7573 -9.7560 -9.2947 -9.2909 -8.8044 -8.7980 -2.9229 -2.9224 -2.2868 -2.2831 -1.5035 -1.5029 -1.2278 -1.2258 -0.7335 -0.7292 -0.3263 -0.3166 0.8382 0.8435 1.0650 1.0688 1.4921 1.4938 2.0323 2.0336 2.5428 2.5438 2.6183 2.6204 3.2545 3.2561 3.4251 3.4299 3.7925 3.7957 4.2638 4.2657 4.6615 4.6667 4.7268 4.7288 11.9274 11.9379 12.1174 12.1183 12.5746 12.5753 12.9766 12.9850 13.6455 13.6459 k =-0.3449 0.5598 0.2621 ( 4325 PWs) bands (ev): -13.2430 -13.2429 -13.0741 -13.0741 -11.0779 -11.0777 -9.7408 -9.7397 -9.3481 -9.3445 -8.8288 -8.8226 -2.8734 -2.8728 -2.3027 -2.2992 -1.5231 -1.5226 -1.2841 -1.2824 -0.6790 -0.6749 -0.2414 -0.2318 0.8570 0.8626 1.0707 1.0739 1.4535 1.4547 2.0286 2.0300 2.5008 2.5008 2.6268 2.6290 3.2785 3.2801 3.4187 3.4233 3.8100 3.8134 4.2616 4.2635 4.6490 4.6540 4.7062 4.7081 11.9314 11.9420 12.0749 12.0762 12.5572 12.5577 12.9921 13.0011 13.6158 13.6162 k =-0.3449 0.5598 0.2784 ( 4321 PWs) bands (ev): -13.2382 -13.2380 -13.0771 -13.0771 -11.0469 -11.0466 -9.7234 -9.7223 -9.4031 -9.3996 -8.8543 -8.8483 -2.8232 -2.8224 -2.3154 -2.3121 -1.5441 -1.5436 -1.3407 -1.3392 -0.6211 -0.6173 -0.1572 -0.1477 0.8771 0.8829 1.0745 1.0771 1.4138 1.4143 2.0268 2.0285 2.4545 2.4556 2.6342 2.6366 3.3017 3.3032 3.4128 3.4173 3.8280 3.8317 4.2600 4.2618 4.6351 4.6400 4.6850 4.6867 11.9402 11.9508 12.0344 12.0362 12.5448 12.5450 13.0057 13.0153 13.5809 13.5816 k =-0.3449 0.5598 0.2948 ( 4317 PWs) bands (ev): -13.2331 -13.2330 -13.0802 -13.0802 -11.0141 -11.0137 -9.7049 -9.7040 -9.4594 -9.4560 -8.8807 -8.8750 -2.7724 -2.7716 -2.3249 -2.3218 -1.5666 -1.5662 -1.3971 -1.3958 -0.5599 -0.5565 -0.0741 -0.0647 0.8984 0.9044 1.0761 1.0781 1.3729 1.3729 2.0275 2.0293 2.4051 2.4072 2.6401 2.6425 3.3238 3.3251 3.4075 3.4119 3.8468 3.8506 4.2590 4.2608 4.6198 4.6245 4.6632 4.6648 11.9537 11.9643 11.9971 11.9994 12.5366 12.5367 13.0168 13.0268 13.5402 13.5412 k =-0.3449 0.5598 0.3112 ( 4325 PWs) bands (ev): -13.2279 -13.2278 -13.0836 -13.0836 -10.9796 -10.9792 -9.6855 -9.6847 -9.5167 -9.5135 -8.9079 -8.9025 -2.7214 -2.7205 -2.3313 -2.3285 -1.5905 -1.5901 -1.4533 -1.4521 -0.4958 -0.4927 0.0074 0.0166 0.9208 0.9270 1.0756 1.0771 1.3306 1.3312 2.0308 2.0328 2.3526 2.3558 2.6440 2.6466 3.3442 3.3454 3.4030 3.4072 3.8664 3.8703 4.2587 4.2604 4.6030 4.6076 4.6411 4.6425 11.9638 11.9662 11.9721 11.9830 12.5320 12.5321 13.0243 13.0348 13.4925 13.4940 k =-0.3449 0.5598 0.3276 ( 4333 PWs) bands (ev): -13.2226 -13.2225 -13.0871 -13.0871 -10.9434 -10.9429 -9.6651 -9.6645 -9.5749 -9.5719 -8.9360 -8.9308 -2.6704 -2.6695 -2.3346 -2.3319 -1.6157 -1.6154 -1.5089 -1.5079 -0.4288 -0.4262 0.0869 0.0960 0.9442 0.9505 1.0730 1.0739 1.2879 1.2888 2.0370 2.0393 2.2974 2.3016 2.6457 2.6483 3.3625 3.3635 3.3995 3.4036 3.8869 3.8910 4.2591 4.2609 4.5848 4.5892 4.6187 4.6199 11.9359 11.9388 11.9945 12.0054 12.5301 12.5304 13.0274 13.0383 13.4369 13.4392 k =-0.3449 0.5598 0.3440 ( 4327 PWs) bands (ev): -13.2171 -13.2170 -13.0908 -13.0908 -10.9055 -10.9050 -9.6439 -9.6434 -9.6337 -9.6308 -8.9647 -8.9598 -2.6195 -2.6185 -2.3347 -2.3323 -1.6424 -1.6420 -1.5637 -1.5629 -0.3594 -0.3572 0.1642 0.1731 0.9679 0.9743 1.0682 1.0685 1.2453 1.2465 2.0464 2.0488 2.2395 2.2448 2.6447 2.6474 3.3774 3.3785 3.3983 3.4019 3.9086 3.9127 4.2605 4.2622 4.5652 4.5694 4.5962 4.5972 11.9136 11.9168 12.0215 12.0324 12.5304 12.5307 13.0251 13.0363 13.3737 13.3769 k =-0.3449 0.5598 0.3603 ( 4324 PWs) bands (ev): -13.2115 -13.2114 -13.0947 -13.0947 -10.8660 -10.8654 -9.6932 -9.6904 -9.6216 -9.6213 -8.9939 -8.9893 -2.5689 -2.5679 -2.3318 -2.3296 -1.6703 -1.6700 -1.6176 -1.6169 -0.2877 -0.2860 0.2388 0.2475 0.9909 0.9969 1.0610 1.0612 1.2044 1.2054 2.0592 2.0618 2.1794 2.1857 2.6408 2.6436 3.3855 3.3875 3.4024 3.4048 3.9315 3.9356 4.2627 4.2644 4.5442 4.5483 4.5737 4.5746 11.8975 11.9010 12.0525 12.0634 12.5315 12.5319 13.0167 13.0280 13.3047 13.3086 k =-0.3449 0.5598 0.3767 ( 4322 PWs) bands (ev): -13.2059 -13.2057 -13.0988 -13.0988 -10.8249 -10.8243 -9.7529 -9.7502 -9.5985 -9.5983 -9.0237 -9.0193 -2.5188 -2.5177 -2.3259 -2.3238 -1.6996 -1.6993 -1.6705 -1.6699 -0.2141 -0.2130 0.3104 0.3189 1.0094 1.0140 1.0513 1.0521 1.1692 1.1694 2.0753 2.0781 2.1174 2.1246 2.6336 2.6365 3.3873 3.3899 3.4116 3.4129 3.9555 3.9596 4.2659 4.2676 4.5219 4.5259 4.5514 4.5521 11.8880 11.8918 12.0874 12.0982 12.5322 12.5325 13.0016 13.0130 13.2331 13.2377 k =-0.3449 0.5598 0.3931 ( 4326 PWs) bands (ev): -13.2001 -13.2000 -13.1031 -13.1030 -10.7823 -10.7816 -9.8127 -9.8102 -9.5746 -9.5746 -9.0538 -9.0497 -2.4692 -2.4681 -2.3170 -2.3151 -1.7304 -1.7299 -1.7218 -1.7216 -0.1390 -0.1384 0.3788 0.3870 1.0143 1.0156 1.0395 1.0408 1.1471 1.1505 2.0537 2.0618 2.0951 2.0978 2.6231 2.6260 3.3878 3.3905 3.4204 3.4213 3.9809 3.9849 4.2702 4.2719 4.4983 4.5022 4.5294 4.5299 11.8854 11.8895 12.1258 12.1366 12.5305 12.5306 12.9799 12.9912 13.1635 13.1684 k =-0.3449 0.5598 0.4095 ( 4324 PWs) bands (ev): -13.1943 -13.1942 -13.1075 -13.1074 -10.7381 -10.7373 -9.8725 -9.8702 -9.5500 -9.5498 -9.0843 -9.0804 -2.4202 -2.4191 -2.3051 -2.3034 -1.7729 -1.7721 -1.7616 -1.7614 -0.0628 -0.0627 0.4437 0.4516 0.9925 0.9946 1.0254 1.0272 1.1500 1.1569 1.9890 1.9979 2.1181 2.1209 2.6090 2.6120 3.3889 3.3914 3.4275 3.4281 4.0073 4.0113 4.2756 4.2772 4.4736 4.4774 4.5078 4.5081 11.8899 11.8942 12.1674 12.1782 12.5235 12.5237 12.9516 12.9628 13.1003 13.1053 k =-0.3449 0.5598 0.4259 ( 4326 PWs) bands (ev): -13.1885 -13.1884 -13.1121 -13.1120 -10.6925 -10.6916 -9.9323 -9.9300 -9.5246 -9.5243 -9.1149 -9.1114 -2.3719 -2.3709 -2.2903 -2.2888 -1.8216 -1.8209 -1.7947 -1.7946 0.0137 0.0143 0.5049 0.5126 0.9519 0.9557 1.0092 1.0114 1.1727 1.1814 1.9235 1.9332 2.1443 2.1472 2.5914 2.5944 3.3907 3.3930 3.4323 3.4328 4.0349 4.0388 4.2820 4.2836 4.4478 4.4515 4.4867 4.4868 11.9015 11.9061 12.2120 12.2227 12.5081 12.5088 12.9174 12.9283 13.0483 13.0530 k =-0.3449 0.5598 0.4422 ( 4325 PWs) bands (ev): -13.1827 -13.1825 -13.1168 -13.1167 -10.6454 -10.6445 -9.9917 -9.9896 -9.4985 -9.4980 -9.1457 -9.1424 -2.3244 -2.3235 -2.2728 -2.2714 -1.8687 -1.8681 -1.8290 -1.8288 0.0904 0.0917 0.5624 0.5697 0.9027 0.9073 0.9909 0.9934 1.2052 1.2149 1.8578 1.8682 2.1735 2.1764 2.5703 2.5733 3.3934 3.3954 3.4352 3.4356 4.0634 4.0673 4.2896 4.2911 4.4209 4.4246 4.4660 4.4661 11.9202 11.9250 12.2592 12.2699 12.4817 12.4832 12.8779 12.8887 13.0113 13.0154 k =-0.3449 0.5598 0.4586 ( 4325 PWs) bands (ev): -13.1768 -13.1767 -13.1217 -13.1216 -10.5969 -10.5959 -10.0507 -10.0487 -9.4717 -9.4710 -9.1766 -9.1736 -2.2778 -2.2769 -2.2524 -2.2512 -1.9142 -1.9136 -1.8644 -1.8642 0.1670 0.1689 0.6161 0.6230 0.8488 0.8538 0.9703 0.9733 1.2434 1.2537 1.7925 1.8033 2.2052 2.2082 2.5459 2.5489 3.3968 3.3986 3.4361 3.4364 4.0927 4.0965 4.2984 4.2998 4.3932 4.3968 4.4460 4.4463 11.9459 11.9508 12.3086 12.3192 12.4436 12.4459 12.8341 12.8447 12.9909 12.9942 k =-0.3449 0.5598 0.4750 ( 4321 PWs) bands (ev): -13.1710 -13.1709 -13.1267 -13.1267 -10.5472 -10.5461 -10.1092 -10.1074 -9.4443 -9.4434 -9.2074 -9.2046 -2.2323 -2.2319 -2.2287 -2.2281 -1.9578 -1.9572 -1.9010 -1.9007 0.2431 0.2457 0.6660 0.6726 0.7914 0.7966 0.9474 0.9508 1.2855 1.2963 1.7279 1.7392 2.2391 2.2420 2.5183 2.5213 3.4010 3.4025 3.4354 3.4357 4.1226 4.1263 4.3082 4.3096 4.3648 4.3683 4.4268 4.4273 11.9783 11.9833 12.3594 12.3704 12.3959 12.3985 12.7866 12.7971 12.9861 12.9887 k =-0.3449 0.5598 0.4914 ( 4321 PWs) bands (ev): -13.1652 -13.1651 -13.1319 -13.1318 -10.4961 -10.4950 -10.1671 -10.1654 -9.4162 -9.4151 -9.2381 -9.2356 -2.2040 -2.2029 -2.1871 -2.1862 -1.9995 -1.9989 -1.9387 -1.9383 0.3183 0.3214 0.7122 0.7182 0.7313 0.7364 0.9221 0.9259 1.3311 1.3423 1.6645 1.6762 2.2745 2.2775 2.4880 2.4910 3.4057 3.4070 3.4332 3.4336 4.1530 4.1566 4.3193 4.3204 4.3357 4.3391 4.4085 4.4091 12.0170 12.0221 12.3400 12.3441 12.4131 12.4232 12.7365 12.7468 12.9942 12.9962 k =-0.3449 0.5598 0.5078 ( 4317 PWs) bands (ev): -13.1594 -13.1593 -13.1372 -13.1371 -10.4439 -10.4426 -10.2243 -10.2226 -9.3876 -9.3863 -9.2687 -9.2664 -2.1758 -2.1748 -2.1432 -2.1424 -2.0392 -2.0385 -1.9774 -1.9770 0.3921 0.3958 0.6680 0.6731 0.7551 0.7609 0.8943 0.8986 1.3798 1.3914 1.6029 1.6148 2.3111 2.3140 2.4553 2.4583 3.4107 3.4118 3.4299 3.4303 4.1836 4.1872 4.3057 4.3093 4.3315 4.3328 4.3910 4.3918 12.0616 12.0667 12.2818 12.2862 12.4668 12.4770 12.6842 12.6944 13.0122 13.0136 k =-0.3449 0.5598 0.5241 ( 4320 PWs) bands (ev): -13.1538 -13.1537 -13.1426 -13.1425 -10.3905 -10.3892 -10.2806 -10.2791 -9.3585 -9.3569 -9.2989 -9.2969 -2.1452 -2.1443 -2.1004 -2.0997 -2.0766 -2.0759 -2.0173 -2.0168 0.4642 0.4684 0.6024 0.6073 0.7945 0.7999 0.8639 0.8685 1.4315 1.4433 1.5433 1.5553 2.3480 2.3509 2.4207 2.4237 3.4159 3.4168 3.4257 3.4263 4.2143 4.2179 4.2755 4.2791 4.3447 4.3459 4.3746 4.3754 12.1114 12.1165 12.2229 12.2276 12.5213 12.5315 12.6305 12.6407 13.0375 13.0386 k =-0.3449 0.5598 0.5405 ( 4326 PWs) bands (ev): -13.1482 -13.1482 -13.1481 -13.1481 -10.3361 -10.3361 -10.3346 -10.3346 -9.3289 -9.3289 -9.3271 -9.3271 -2.1122 -2.1122 -2.1114 -2.1114 -2.0582 -2.0582 -2.0576 -2.0576 0.5344 0.5344 0.5390 0.5390 0.8307 0.8307 0.8357 0.8357 1.4861 1.4861 1.4980 1.4980 2.3847 2.3847 2.3877 2.3877 3.4210 3.4210 3.4217 3.4217 4.2450 4.2450 4.2486 4.2486 4.3591 4.3591 4.3601 4.3601 12.1656 12.1656 12.1705 12.1705 12.5761 12.5761 12.5862 12.5862 13.0683 13.0683 k =-0.3449 0.5598 0.5405 ( 4326 PWs) bands (ev): -13.1482 -13.1482 -13.1481 -13.1481 -10.3361 -10.3361 -10.3346 -10.3346 -9.3289 -9.3289 -9.3271 -9.3271 -2.1122 -2.1122 -2.1114 -2.1114 -2.0582 -2.0582 -2.0576 -2.0576 0.5344 0.5344 0.5390 0.5390 0.8307 0.8307 0.8357 0.8357 1.4861 1.4861 1.4980 1.4980 2.3847 2.3847 2.3877 2.3877 3.4210 3.4210 3.4217 3.4217 4.2450 4.2450 4.2486 4.2486 4.3591 4.3591 4.3601 4.3601 12.1656 12.1656 12.1705 12.1705 12.5761 12.5761 12.5862 12.5862 13.0683 13.0683 k =-0.3535 0.5458 0.5405 ( 4330 PWs) bands (ev): -13.1450 -13.1450 -13.1449 -13.1449 -10.3648 -10.3648 -10.3634 -10.3634 -9.2969 -9.2969 -9.2952 -9.2952 -2.1846 -2.1846 -2.1838 -2.1838 -2.0157 -2.0157 -2.0151 -2.0151 0.5546 0.5546 0.5593 0.5593 0.8378 0.8378 0.8425 0.8425 1.4863 1.4863 1.4981 1.4981 2.3984 2.3984 2.4011 2.4011 3.4114 3.4114 3.4122 3.4122 4.2181 4.2181 4.2216 4.2216 4.3893 4.3893 4.3903 4.3903 12.1150 12.1150 12.1198 12.1198 12.5704 12.5704 12.5801 12.5801 13.1035 13.1035 k =-0.3621 0.5318 0.5405 ( 4328 PWs) bands (ev): -13.1421 -13.1421 -13.1420 -13.1420 -10.3920 -10.3920 -10.3907 -10.3907 -9.2656 -9.2656 -9.2639 -9.2639 -2.2547 -2.2547 -2.2539 -2.2539 -1.9754 -1.9754 -1.9748 -1.9748 0.5729 0.5729 0.5776 0.5776 0.8447 0.8447 0.8492 0.8492 1.4875 1.4875 1.4992 1.4992 2.4129 2.4129 2.4155 2.4155 3.4008 3.4008 3.4018 3.4018 4.1926 4.1926 4.1962 4.1962 4.4199 4.4199 4.4209 4.4209 12.0644 12.0644 12.0690 12.0690 12.5640 12.5640 12.5731 12.5731 13.1401 13.1401 k =-0.3708 0.5178 0.5405 ( 4332 PWs) bands (ev): -13.1393 -13.1393 -13.1392 -13.1392 -10.4178 -10.4178 -10.4165 -10.4165 -9.2351 -9.2351 -9.2335 -9.2335 -2.3223 -2.3223 -2.3214 -2.3214 -1.9373 -1.9373 -1.9367 -1.9367 0.5893 0.5893 0.5940 0.5940 0.8515 0.8515 0.8556 0.8556 1.4896 1.4896 1.5010 1.5010 2.4281 2.4281 2.4306 2.4306 3.3895 3.3895 3.3905 3.3905 4.1688 4.1688 4.1723 4.1723 4.4508 4.4508 4.4518 4.4518 12.0144 12.0144 12.0188 12.0188 12.5574 12.5574 12.5660 12.5660 13.1773 13.1773 k =-0.3794 0.5039 0.5405 ( 4332 PWs) bands (ev): -13.1367 -13.1367 -13.1366 -13.1366 -10.4420 -10.4420 -10.4408 -10.4408 -9.2056 -9.2056 -9.2040 -9.2040 -2.3870 -2.3870 -2.3861 -2.3861 -1.9016 -1.9016 -1.9010 -1.9010 0.6039 0.6039 0.6086 0.6086 0.8580 0.8580 0.8618 0.8618 1.4925 1.4925 1.5035 1.5035 2.4440 2.4440 2.4463 2.4463 3.3773 3.3773 3.3785 3.3785 4.1465 4.1465 4.1500 4.1500 4.4816 4.4816 4.4826 4.4826 11.9658 11.9658 11.9699 11.9699 12.5512 12.5512 12.5592 12.5592 13.2143 13.2143 k =-0.3880 0.4899 0.5405 ( 4332 PWs) bands (ev): -13.1342 -13.1342 -13.1341 -13.1341 -10.4646 -10.4646 -10.4636 -10.4636 -9.1772 -9.1772 -9.1757 -9.1757 -2.4486 -2.4486 -2.4478 -2.4478 -1.8682 -1.8682 -1.8676 -1.8676 0.6169 0.6169 0.6215 0.6215 0.8643 0.8643 0.8678 0.8678 1.4959 1.4959 1.5065 1.5065 2.4602 2.4602 2.4624 2.4624 3.3646 3.3646 3.3657 3.3657 4.1260 4.1260 4.1293 4.1293 4.5121 4.5121 4.5130 4.5130 11.9190 11.9190 11.9229 11.9229 12.5458 12.5458 12.5532 12.5532 13.2505 13.2505 k =-0.3966 0.4759 0.5405 ( 4336 PWs) bands (ev): -13.1319 -13.1319 -13.1318 -13.1318 -10.4857 -10.4857 -10.4847 -10.4847 -9.1501 -9.1501 -9.1486 -9.1486 -2.5069 -2.5069 -2.5060 -2.5060 -1.8372 -1.8372 -1.8366 -1.8366 0.6284 0.6284 0.6328 0.6328 0.8702 0.8702 0.8735 0.8735 1.4997 1.4997 1.5098 1.5098 2.4767 2.4767 2.4787 2.4787 3.3514 3.3514 3.3525 3.3525 4.1071 4.1071 4.1103 4.1103 4.5420 4.5420 4.5429 4.5429 11.8746 11.8746 11.8782 11.8782 12.5415 12.5415 12.5483 12.5483 13.2854 13.2856 k =-0.4052 0.4619 0.5405 ( 4332 PWs) bands (ev): -13.1298 -13.1298 -13.1297 -13.1297 -10.5052 -10.5052 -10.5043 -10.5043 -9.1244 -9.1244 -9.1230 -9.1230 -2.5615 -2.5615 -2.5607 -2.5607 -1.8086 -1.8086 -1.8080 -1.8080 0.6384 0.6384 0.6426 0.6426 0.8759 0.8759 0.8788 0.8788 1.5039 1.5039 1.5134 1.5134 2.4931 2.4931 2.4950 2.4950 3.3378 3.3378 3.3389 3.3389 4.0899 4.0899 4.0929 4.0929 4.5710 4.5710 4.5718 4.5718 11.8327 11.8327 11.8361 11.8361 12.5386 12.5386 12.5449 12.5449 13.3187 13.3189 k =-0.4138 0.4479 0.5405 ( 4332 PWs) bands (ev): -13.1279 -13.1279 -13.1278 -13.1278 -10.5230 -10.5230 -10.5222 -10.5222 -9.1003 -9.1003 -9.0990 -9.0990 -2.6123 -2.6123 -2.6115 -2.6115 -1.7824 -1.7824 -1.7818 -1.7818 0.6471 0.6471 0.6511 0.6511 0.8812 0.8812 0.8839 0.8839 1.5082 1.5082 1.5170 1.5170 2.5094 2.5094 2.5111 2.5111 3.3241 3.3241 3.3252 3.3252 4.0743 4.0743 4.0772 4.0772 4.5988 4.5988 4.5996 4.5996 11.7938 11.7938 11.7968 11.7968 12.5372 12.5372 12.5429 12.5429 13.3499 13.3500 k =-0.4225 0.4339 0.5405 ( 4334 PWs) bands (ev): -13.1261 -13.1261 -13.1261 -13.1261 -10.5392 -10.5392 -10.5385 -10.5385 -9.0779 -9.0779 -9.0768 -9.0768 -2.6590 -2.6590 -2.6582 -2.6582 -1.7586 -1.7586 -1.7581 -1.7581 0.6547 0.6547 0.6583 0.6583 0.8861 0.8861 0.8885 0.8885 1.5125 1.5125 1.5206 1.5206 2.5252 2.5252 2.5268 2.5268 3.3105 3.3105 3.3116 3.3116 4.0604 4.0604 4.0631 4.0631 4.6250 4.6250 4.6258 4.6258 11.7579 11.7579 11.7607 11.7607 12.5375 12.5375 12.5426 12.5426 13.3789 13.3790 k =-0.4311 0.4199 0.5405 ( 4326 PWs) bands (ev): -13.1246 -13.1246 -13.1245 -13.1245 -10.5538 -10.5538 -10.5531 -10.5531 -9.0575 -9.0575 -9.0564 -9.0564 -2.7014 -2.7014 -2.7006 -2.7006 -1.7373 -1.7373 -1.7369 -1.7369 0.6612 0.6612 0.6645 0.6645 0.8906 0.8906 0.8928 0.8928 1.5167 1.5167 1.5241 1.5241 2.5404 2.5404 2.5418 2.5418 3.2973 3.2973 3.2983 3.2983 4.0481 4.0481 4.0505 4.0505 4.6495 4.6495 4.6502 4.6502 11.7254 11.7254 11.7279 11.7279 12.5392 12.5392 12.5438 12.5438 13.4053 13.4054 k =-0.4397 0.4060 0.5405 ( 4322 PWs) bands (ev): -13.1232 -13.1232 -13.1231 -13.1231 -10.5666 -10.5666 -10.5660 -10.5660 -9.0390 -9.0390 -9.0381 -9.0381 -2.7393 -2.7393 -2.7386 -2.7386 -1.7185 -1.7185 -1.7181 -1.7181 0.6667 0.6667 0.6697 0.6697 0.8947 0.8947 0.8966 0.8966 1.5207 1.5207 1.5272 1.5272 2.5547 2.5547 2.5559 2.5559 3.2847 3.2847 3.2855 3.2855 4.0374 4.0374 4.0396 4.0396 4.6719 4.6719 4.6724 4.6724 11.6964 11.6964 11.6986 11.6986 12.5424 12.5424 12.5464 12.5464 13.4290 13.4291 k =-0.4483 0.3920 0.5405 ( 4330 PWs) bands (ev): -13.1220 -13.1220 -13.1219 -13.1219 -10.5778 -10.5778 -10.5772 -10.5772 -9.0228 -9.0228 -9.0220 -9.0220 -2.7725 -2.7725 -2.7719 -2.7719 -1.7022 -1.7022 -1.7018 -1.7018 0.6713 0.6713 0.6739 0.6739 0.8983 0.8983 0.8999 0.8999 1.5244 1.5244 1.5301 1.5301 2.5678 2.5678 2.5689 2.5689 3.2730 3.2730 3.2737 3.2737 4.0282 4.0282 4.0301 4.0301 4.6918 4.6918 4.6923 4.6923 11.6710 11.6710 11.6729 11.6729 12.5466 12.5466 12.5500 12.5500 13.4499 13.4500 k =-0.4569 0.3780 0.5405 ( 4338 PWs) bands (ev): -13.1209 -13.1209 -13.1209 -13.1209 -10.5872 -10.5872 -10.5868 -10.5868 -9.0088 -9.0088 -9.0081 -9.0081 -2.8009 -2.8009 -2.8004 -2.8004 -1.6883 -1.6883 -1.6880 -1.6880 0.6751 0.6751 0.6773 0.6773 0.9015 0.9015 0.9028 0.9028 1.5277 1.5277 1.5325 1.5325 2.5796 2.5796 2.5804 2.5804 3.2624 3.2624 3.2630 3.2630 4.0206 4.0206 4.0222 4.0222 4.7092 4.7092 4.7096 4.7096 11.6493 11.6493 11.6509 11.6509 12.5515 12.5515 12.5543 12.5543 13.4677 13.4678 k =-0.4655 0.3640 0.5405 ( 4338 PWs) bands (ev): -13.1201 -13.1201 -13.1201 -13.1201 -10.5949 -10.5949 -10.5946 -10.5946 -8.9972 -8.9972 -8.9966 -8.9966 -2.8243 -2.8243 -2.8239 -2.8239 -1.6770 -1.6770 -1.6767 -1.6767 0.6782 0.6782 0.6800 0.6800 0.9041 0.9041 0.9051 0.9051 1.5306 1.5306 1.5345 1.5345 2.5896 2.5896 2.5903 2.5903 3.2533 3.2533 3.2538 3.2538 4.0144 4.0144 4.0157 4.0157 4.7237 4.7237 4.7241 4.7241 11.6315 11.6315 11.6328 11.6328 12.5565 12.5565 12.5589 12.5589 13.4824 13.4825 k =-0.4742 0.3500 0.5405 ( 4340 PWs) bands (ev): -13.1195 -13.1195 -13.1194 -13.1194 -10.6010 -10.6010 -10.6007 -10.6007 -8.9880 -8.9880 -8.9876 -8.9876 -2.8427 -2.8427 -2.8423 -2.8423 -1.6682 -1.6682 -1.6680 -1.6680 0.6806 0.6806 0.6820 0.6820 0.9062 0.9062 0.9070 0.9070 1.5330 1.5330 1.5360 1.5360 2.5978 2.5978 2.5983 2.5983 3.2459 3.2459 3.2463 3.2463 4.0097 4.0097 4.0106 4.0106 4.7352 4.7352 4.7355 4.7355 11.6176 11.6176 11.6185 11.6185 12.5613 12.5613 12.5631 12.5631 13.4939 13.4940 k =-0.4828 0.3360 0.5405 ( 4344 PWs) bands (ev): -13.1190 -13.1190 -13.1190 -13.1190 -10.6053 -10.6053 -10.6051 -10.6051 -8.9814 -8.9814 -8.9811 -8.9811 -2.8558 -2.8558 -2.8556 -2.8556 -1.6618 -1.6618 -1.6617 -1.6617 0.6824 0.6824 0.6833 0.6833 0.9077 0.9077 0.9082 0.9082 1.5349 1.5349 1.5369 1.5369 2.6038 2.6038 2.6041 2.6041 3.2404 3.2404 3.2407 3.2407 4.0063 4.0063 4.0070 4.0070 4.7436 4.7436 4.7438 4.7438 11.6077 11.6077 11.6083 11.6083 12.5653 12.5653 12.5664 12.5664 13.5022 13.5022 k =-0.4914 0.3221 0.5405 ( 4344 PWs) bands (ev): -13.1187 -13.1187 -13.1187 -13.1187 -10.6078 -10.6078 -10.6077 -10.6077 -8.9774 -8.9774 -8.9773 -8.9773 -2.8637 -2.8637 -2.8636 -2.8636 -1.6580 -1.6580 -1.6580 -1.6580 0.6835 0.6835 0.6840 0.6840 0.9087 0.9087 0.9090 0.9090 1.5363 1.5363 1.5373 1.5373 2.6075 2.6075 2.6077 2.6077 3.2371 3.2371 3.2372 3.2372 4.0044 4.0044 4.0047 4.0047 4.7487 4.7487 4.7487 4.7487 11.6018 11.6018 11.6021 11.6021 12.5679 12.5679 12.5685 12.5685 13.5072 13.5072 k =-0.5000 0.3081 0.5405 ( 4352 PWs) bands (ev): -13.1186 -13.1186 -13.1186 -13.1186 -10.6086 -10.6086 -10.6086 -10.6086 -8.9760 -8.9760 -8.9760 -8.9760 -2.8663 -2.8663 -2.8663 -2.8663 -1.6568 -1.6568 -1.6568 -1.6568 0.6840 0.6840 0.6840 0.6840 0.9091 0.9091 0.9091 0.9091 1.5370 1.5370 1.5370 1.5370 2.6088 2.6088 2.6088 2.6088 3.2360 3.2360 3.2360 3.2360 4.0039 4.0039 4.0039 4.0039 4.7504 4.7504 4.7504 4.7504 11.5999 11.5999 11.5999 11.5999 12.5691 12.5691 12.5691 12.5691 13.5088 13.5088 k =-0.5000 0.3081 0.5405 ( 4352 PWs) bands (ev): -13.1186 -13.1186 -13.1186 -13.1186 -10.6086 -10.6086 -10.6086 -10.6086 -8.9760 -8.9760 -8.9760 -8.9760 -2.8663 -2.8663 -2.8663 -2.8663 -1.6568 -1.6568 -1.6568 -1.6568 0.6840 0.6840 0.6840 0.6840 0.9091 0.9091 0.9091 0.9091 1.5370 1.5370 1.5370 1.5370 2.6088 2.6088 2.6088 2.6088 3.2360 3.2360 3.2360 3.2360 4.0039 4.0039 4.0039 4.0039 4.7504 4.7504 4.7504 4.7504 11.5999 11.5999 11.5999 11.5999 12.5691 12.5691 12.5691 12.5691 13.5088 13.5088 k =-0.5000 0.3081 0.5241 ( 4352 PWs) bands (ev): -13.1230 -13.1230 -13.1143 -13.1143 -10.6656 -10.6656 -10.5506 -10.5506 -8.9787 -8.9787 -8.9736 -8.9736 -2.8663 -2.8663 -2.8632 -2.8632 -1.6997 -1.6997 -1.6165 -1.6165 0.5924 0.5924 0.7739 0.7739 0.9076 0.9076 0.9085 0.9085 1.5163 1.5163 1.5622 1.5622 2.6029 2.6029 2.6123 2.6123 3.2199 3.2199 3.2497 3.2497 3.9791 3.9791 4.0295 4.0295 4.7501 4.7501 4.7516 4.7516 11.5918 11.5918 11.6164 11.6164 12.5670 12.5670 12.5677 12.5677 13.4666 13.4666 k =-0.5000 0.3081 0.5078 ( 4356 PWs) bands (ev): -13.1275 -13.1275 -13.1100 -13.1100 -10.7214 -10.7214 -10.4915 -10.4915 -8.9815 -8.9815 -8.9714 -8.9714 -2.8632 -2.8632 -2.8570 -2.8570 -1.7453 -1.7453 -1.5787 -1.5787 0.5007 0.5007 0.8595 0.8595 0.9039 0.9039 0.9059 0.9059 1.5022 1.5022 1.5903 1.5903 2.5945 2.5945 2.6134 2.6134 3.2012 3.2012 3.2610 3.2610 3.9553 3.9553 4.0558 4.0558 4.7507 4.7507 4.7536 4.7536 11.5918 11.5918 11.6413 11.6413 12.5615 12.5615 12.5630 12.5630 13.4239 13.4239 k =-0.5000 0.3081 0.4914 ( 4348 PWs) bands (ev): -13.1320 -13.1320 -13.1058 -13.1058 -10.7759 -10.7759 -10.4315 -10.4315 -8.9845 -8.9845 -8.9694 -8.9694 -2.8569 -2.8569 -2.8477 -2.8477 -1.7938 -1.7938 -1.5434 -1.5434 0.4102 0.4102 0.8977 0.8977 0.9012 0.9012 0.9374 0.9374 1.4979 1.4979 1.6206 1.6206 2.5835 2.5835 2.6123 2.6123 3.1800 3.1800 3.2703 3.2703 3.9328 3.9328 4.0824 4.0824 4.7523 4.7523 4.7564 4.7564 11.5999 11.5999 11.6747 11.6747 12.5521 12.5521 12.5557 12.5557 13.3813 13.3813 k =-0.5000 0.3081 0.4750 ( 4352 PWs) bands (ev): -13.1365 -13.1365 -13.1017 -13.1017 -10.8291 -10.8291 -10.3706 -10.3706 -8.9877 -8.9877 -8.9675 -8.9675 -2.8476 -2.8476 -2.8353 -2.8353 -1.8452 -1.8452 -1.5102 -1.5102 0.3217 0.3217 0.8891 0.8891 0.8946 0.8946 1.0022 1.0022 1.5081 1.5081 1.6525 1.6525 2.5701 2.5701 2.6090 2.6090 3.1565 3.1565 3.2779 3.2779 3.9115 3.9115 4.1091 4.1091 4.7550 4.7550 4.7599 4.7599 11.6155 11.6155 11.7164 11.7164 12.5389 12.5389 12.5462 12.5462 13.3392 13.3392 k =-0.5000 0.3081 0.4586 ( 4348 PWs) bands (ev): -13.1411 -13.1411 -13.0977 -13.0977 -10.8810 -10.8810 -10.3090 -10.3090 -8.9911 -8.9911 -8.9660 -8.9660 -2.8351 -2.8351 -2.8199 -2.8199 -1.8996 -1.8996 -1.4792 -1.4792 0.2358 0.2358 0.8778 0.8778 0.8860 0.8860 1.0492 1.0492 1.5374 1.5374 1.6854 1.6854 2.5540 2.5540 2.6039 2.6039 3.1310 3.1310 3.2840 3.2840 3.8913 3.8913 4.1354 4.1354 4.7587 4.7587 4.7641 4.7641 11.6384 11.6384 11.7664 11.7664 12.5219 12.5219 12.5350 12.5350 13.2982 13.2982 k =-0.5000 0.3081 0.4422 ( 4350 PWs) bands (ev): -13.1456 -13.1456 -13.0938 -13.0938 -10.9314 -10.9314 -10.2468 -10.2468 -8.9946 -8.9946 -8.9646 -8.9646 -2.8197 -2.8197 -2.8016 -2.8016 -1.9570 -1.9570 -1.4502 -1.4502 0.1531 0.1531 0.8636 0.8636 0.8755 0.8755 1.0764 1.0764 1.5874 1.5874 1.7192 1.7192 2.5354 2.5354 2.5972 2.5972 3.1039 3.1039 3.2890 3.2890 3.8724 3.8724 4.1613 4.1613 4.7636 4.7636 4.7689 4.7689 11.6679 11.6679 11.8245 11.8245 12.5014 12.5014 12.5225 12.5225 13.2586 13.2586 k =-0.5000 0.3081 0.4259 ( 4344 PWs) bands (ev): -13.1502 -13.1502 -13.0900 -13.0900 -10.9804 -10.9804 -10.1840 -10.1840 -8.9982 -8.9982 -8.9634 -8.9634 -2.8012 -2.8012 -2.7804 -2.7804 -2.0173 -2.0173 -1.4230 -1.4230 0.0739 0.0739 0.8462 0.8462 0.8629 0.8629 1.0865 1.0865 1.6551 1.6551 1.7535 1.7535 2.5143 2.5143 2.5892 2.5892 3.0757 3.0757 3.2933 3.2933 3.8544 3.8544 4.1863 4.1863 4.7696 4.7696 4.7742 4.7742 11.7034 11.7034 11.8903 11.8903 12.4778 12.4778 12.5093 12.5093 13.2212 13.2212 k =-0.5000 0.3081 0.4095 ( 4332 PWs) bands (ev): -13.1547 -13.1547 -13.0864 -13.0864 -11.0278 -11.0278 -10.1209 -10.1209 -9.0020 -9.0020 -8.9624 -8.9624 -2.7798 -2.7798 -2.7564 -2.7564 -2.0804 -2.0804 -1.3976 -1.3976 -0.0014 -0.0014 0.8256 0.8256 0.8481 0.8481 1.0843 1.0843 1.7350 1.7350 1.7883 1.7883 2.4908 2.4908 2.5802 2.5802 3.0470 3.0470 3.2969 3.2969 3.8373 3.8373 4.2104 4.2104 4.7768 4.7768 4.7801 4.7801 11.7443 11.7443 11.9637 11.9637 12.4515 12.4515 12.4957 12.4957 13.1864 13.1864 k =-0.5000 0.3081 0.3931 ( 4336 PWs) bands (ev): -13.1592 -13.1592 -13.0829 -13.0829 -11.0737 -11.0737 -10.0575 -10.0575 -9.0058 -9.0058 -8.9616 -8.9616 -2.7555 -2.7555 -2.7297 -2.7297 -2.1461 -2.1461 -1.3738 -1.3738 -0.0727 -0.0727 0.8016 0.8016 0.8311 0.8311 1.0743 1.0743 1.8176 1.8176 1.8281 1.8281 2.4650 2.4650 2.5706 2.5706 3.0183 3.0183 3.3001 3.3001 3.8210 3.8210 4.2332 4.2332 4.7851 4.7851 4.7865 4.7865 11.7897 11.7897 12.0441 12.0441 12.4231 12.4231 12.4820 12.4820 13.1549 13.1549 k =-0.5000 0.3081 0.3767 ( 4336 PWs) bands (ev): -13.1637 -13.1637 -13.0795 -13.0795 -11.1180 -11.1180 -9.9940 -9.9940 -9.0098 -9.0098 -8.9610 -8.9610 -2.7284 -2.7284 -2.7003 -2.7003 -2.2142 -2.2142 -1.3516 -1.3516 -0.1399 -0.1399 0.7740 0.7740 0.8118 0.8118 1.0596 1.0596 1.8566 1.8566 1.9156 1.9156 2.4372 2.4372 2.5608 2.5608 2.9900 2.9900 3.3031 3.3031 3.8052 3.8052 4.2547 4.2547 4.7927 4.7927 4.7952 4.7952 11.8385 11.8385 12.1312 12.1312 12.3930 12.3930 12.4686 12.4686 13.1276 13.1276 k =-0.5000 0.3081 0.3603 ( 4332 PWs) bands (ev): -13.1680 -13.1680 -13.0762 -13.0762 -11.1606 -11.1606 -9.9305 -9.9305 -9.0138 -9.0138 -8.9606 -8.9606 -2.6986 -2.6986 -2.6684 -2.6684 -2.2844 -2.2844 -1.3309 -1.3309 -0.2028 -0.2028 0.7426 0.7426 0.7900 0.7900 1.0422 1.0422 1.8912 1.8912 2.0090 2.0090 2.4076 2.4076 2.5511 2.5511 2.9626 2.9626 3.3058 3.3058 3.7900 3.7900 4.2747 4.2747 4.7997 4.7997 4.8060 4.8060 11.8897 11.8897 12.2245 12.2245 12.3618 12.3618 12.4558 12.4558 13.1051 13.1051 k =-0.5000 0.3081 0.3440 ( 4318 PWs) bands (ev): -13.1724 -13.1724 -13.0731 -13.0731 -11.2016 -11.2016 -9.8672 -9.8672 -9.0178 -9.0178 -8.9603 -8.9603 -2.6662 -2.6662 -2.6341 -2.6341 -2.3564 -2.3564 -1.3116 -1.3116 -0.2616 -0.2616 0.7076 0.7076 0.7656 0.7656 1.0234 1.0234 1.9254 1.9254 2.1027 2.1027 2.3767 2.3767 2.5420 2.5420 2.9363 2.9363 3.3085 3.3085 3.7751 3.7751 4.2932 4.2932 4.8068 4.8068 4.8182 4.8182 11.9420 11.9420 12.3228 12.3228 12.3305 12.3305 12.4440 12.4440 13.0885 13.0885 k =-0.5000 0.3081 0.3276 ( 4326 PWs) bands (ev): -13.1766 -13.1766 -13.0701 -13.0701 -11.2408 -11.2408 -9.8043 -9.8043 -9.0218 -9.0218 -8.9601 -8.9601 -2.6313 -2.6313 -2.5976 -2.5976 -2.4298 -2.4298 -1.2935 -1.2935 -0.3164 -0.3164 0.6689 0.6689 0.7385 0.7385 1.0039 1.0039 1.9590 1.9590 2.1955 2.1955 2.3448 2.3448 2.5337 2.5337 2.9114 2.9114 3.3110 3.3110 3.7605 3.7605 4.3101 4.3101 4.8142 4.8142 4.8316 4.8316 11.9938 11.9938 12.2974 12.2974 12.4268 12.4268 12.4340 12.4340 13.0786 13.0786 k =-0.5000 0.3081 0.3112 ( 4330 PWs) bands (ev): -13.1807 -13.1807 -13.0673 -13.0673 -11.2783 -11.2783 -9.7420 -9.7420 -9.0258 -9.0258 -8.9601 -8.9601 -2.5940 -2.5940 -2.5589 -2.5589 -2.5041 -2.5041 -1.2768 -1.2768 -0.3671 -0.3671 0.6266 0.6266 0.7087 0.7087 0.9843 0.9843 1.9919 1.9919 2.2864 2.2864 2.3127 2.3127 2.5265 2.5265 2.8879 2.8879 3.3134 3.3134 3.7463 3.7463 4.3254 4.3254 4.8216 4.8216 4.8463 4.8463 12.0438 12.0438 12.2651 12.2651 12.4237 12.4237 12.5362 12.5362 13.0764 13.0764 k =-0.5000 0.3081 0.2948 ( 4336 PWs) bands (ev): -13.1847 -13.1847 -13.0646 -13.0646 -11.3140 -11.3140 -9.6806 -9.6806 -9.0298 -9.0298 -8.9602 -8.9602 -2.5790 -2.5790 -2.5546 -2.5546 -2.5184 -2.5184 -1.2612 -1.2612 -0.4140 -0.4140 0.5808 0.5808 0.6762 0.6762 0.9648 0.9648 2.0241 2.0241 2.2804 2.2804 2.3750 2.3750 2.5206 2.5206 2.8660 2.8660 3.3158 3.3158 3.7324 3.7324 4.3391 4.3391 4.8291 4.8291 4.8621 4.8621 12.0904 12.0904 12.2332 12.2332 12.4158 12.4158 12.6482 12.6482 13.0830 13.0830 k =-0.5000 0.3081 0.2784 ( 4332 PWs) bands (ev): -13.1886 -13.1886 -13.0620 -13.0620 -11.3480 -11.3480 -9.6201 -9.6201 -9.0337 -9.0337 -8.9604 -8.9604 -2.6537 -2.6537 -2.5131 -2.5131 -2.4762 -2.4762 -1.2467 -1.2467 -0.4572 -0.4572 0.5318 0.5318 0.6409 0.6409 0.9458 0.9458 2.0555 2.0555 2.2488 2.2488 2.4604 2.4604 2.5161 2.5161 2.8456 2.8456 3.3179 3.3179 3.7187 3.7187 4.3513 4.3513 4.8365 4.8365 4.8790 4.8790 12.1323 12.1323 12.2020 12.2020 12.4097 12.4097 12.7629 12.7629 13.0991 13.0991 k =-0.5000 0.3081 0.2621 ( 4328 PWs) bands (ev): -13.1923 -13.1923 -13.0596 -13.0596 -11.3801 -11.3801 -9.5608 -9.5608 -9.0376 -9.0376 -8.9607 -8.9607 -2.7280 -2.7280 -2.4699 -2.4699 -2.4324 -2.4324 -1.2334 -1.2334 -0.4969 -0.4969 0.4800 0.4800 0.6030 0.6030 0.9275 0.9275 2.0858 2.0858 2.2183 2.2183 2.5131 2.5131 2.5423 2.5423 2.8266 2.8266 3.3200 3.3200 3.7054 3.7054 4.3619 4.3619 4.8440 4.8440 4.8969 4.8969 12.1662 12.1662 12.1740 12.1740 12.4055 12.4055 12.8791 12.8791 13.1248 13.1248 k =-0.5000 0.3081 0.2457 ( 4324 PWs) bands (ev): -13.1959 -13.1959 -13.0574 -13.0574 -11.4103 -11.4103 -9.5031 -9.5031 -9.0413 -9.0413 -8.9611 -8.9611 -2.8012 -2.8012 -2.4250 -2.4250 -2.3875 -2.3875 -1.2210 -1.2210 -0.5332 -0.5332 0.4256 0.4256 0.5627 0.5627 0.9099 0.9099 2.1150 2.1150 2.1892 2.1892 2.5116 2.5116 2.6203 2.6203 2.8091 2.8091 3.3218 3.3218 3.6925 3.6925 4.3711 4.3711 4.8512 4.8512 4.9157 4.9157 12.1418 12.1418 12.1992 12.1992 12.4034 12.4034 12.9955 12.9955 13.1599 13.1599 k =-0.5000 0.3081 0.2293 ( 4316 PWs) bands (ev): -13.1993 -13.1993 -13.0553 -13.0553 -11.4387 -11.4387 -9.4471 -9.4471 -9.0449 -9.0449 -8.9615 -8.9615 -2.8729 -2.8729 -2.3789 -2.3789 -2.3416 -2.3416 -1.2097 -1.2097 -0.5664 -0.5664 0.3692 0.3692 0.5203 0.5203 0.8932 0.8932 2.1429 2.1429 2.1618 2.1618 2.5114 2.5114 2.6940 2.6940 2.7930 2.7930 3.3234 3.3234 3.6800 3.6800 4.3789 4.3789 4.8584 4.8584 4.9351 4.9351 12.1139 12.1139 12.2232 12.2232 12.4034 12.4034 13.1102 13.1102 13.2036 13.2036 k =-0.5000 0.3081 0.2129 ( 4310 PWs) bands (ev): -13.2025 -13.2025 -13.0534 -13.0534 -11.4652 -11.4652 -9.3932 -9.3932 -9.0484 -9.0484 -8.9619 -8.9619 -2.9425 -2.9425 -2.3317 -2.3317 -2.2952 -2.2952 -1.1993 -1.1993 -0.5965 -0.5965 0.3112 0.3112 0.4760 0.4760 0.8774 0.8774 2.1361 2.1361 2.1697 2.1697 2.5126 2.5126 2.7631 2.7631 2.7784 2.7784 3.3248 3.3248 3.6680 3.6680 4.3855 4.3855 4.8652 4.8652 4.9551 4.9551 12.0873 12.0873 12.2417 12.2417 12.4058 12.4058 13.2207 13.2207 13.2545 13.2545 k =-0.5000 0.3081 0.1966 ( 4312 PWs) bands (ev): -13.2055 -13.2055 -13.0516 -13.0516 -11.4899 -11.4899 -9.3416 -9.3416 -9.0517 -9.0517 -8.9624 -8.9624 -3.0095 -3.0095 -2.2839 -2.2839 -2.2485 -2.2485 -1.1898 -1.1898 -0.6239 -0.6239 0.2523 0.2523 0.4304 0.4304 0.8626 0.8626 2.1128 2.1128 2.1948 2.1948 2.5149 2.5149 2.7645 2.7645 2.8278 2.8278 3.3259 3.3259 3.6565 3.6565 4.3908 4.3908 4.8718 4.8718 4.9754 4.9754 12.0622 12.0622 12.2555 12.2555 12.4105 12.4105 13.3106 13.3106 13.3243 13.3243 k =-0.5000 0.3081 0.1802 ( 4314 PWs) bands (ev): -13.2083 -13.2083 -13.0499 -13.0499 -11.5126 -11.5126 -9.2926 -9.2926 -9.0548 -9.0548 -8.9629 -8.9629 -3.0734 -3.0734 -2.2359 -2.2359 -2.2020 -2.2020 -1.1812 -1.1812 -0.6485 -0.6485 0.1930 0.1930 0.3840 0.3840 0.8489 0.8489 2.0917 2.0917 2.2184 2.2184 2.5181 2.5181 2.7521 2.7521 2.8873 2.8873 3.3268 3.3268 3.6456 3.6456 4.3952 4.3952 4.8781 4.8781 4.9957 4.9957 12.0389 12.0389 12.2654 12.2654 12.4177 12.4177 13.3706 13.3706 13.4163 13.4163 k =-0.5000 0.3081 0.1638 ( 4314 PWs) bands (ev): -13.2110 -13.2110 -13.0484 -13.0484 -11.5333 -11.5333 -9.2465 -9.2465 -9.0577 -9.0577 -8.9634 -8.9634 -3.1337 -3.1337 -2.1881 -2.1881 -2.1562 -2.1562 -1.1735 -1.1735 -0.6706 -0.6706 0.1341 0.1341 0.3374 0.3374 0.8363 0.8363 2.0727 2.0727 2.2402 2.2402 2.5221 2.5221 2.7409 2.7409 2.9417 2.9417 3.3275 3.3275 3.6354 3.6354 4.3986 4.3986 4.8839 4.8839 5.0157 5.0157 12.0173 12.0173 12.2724 12.2724 12.4274 12.4274 13.4311 13.4311 13.4378 13.4378 k =-0.5000 0.3081 0.1474 ( 4310 PWs) bands (ev): -13.2134 -13.2134 -13.0471 -13.0471 -11.5522 -11.5522 -9.2036 -9.2036 -9.0604 -9.0604 -8.9639 -8.9639 -3.1900 -3.1900 -2.1410 -2.1410 -2.1116 -2.1116 -1.1666 -1.1666 -0.6902 -0.6902 0.0763 0.0763 0.2913 0.2913 0.8248 0.8248 2.0560 2.0560 2.2604 2.2604 2.5267 2.5267 2.7308 2.7308 2.9910 2.9910 3.3279 3.3279 3.6259 3.6259 4.4013 4.4013 4.8894 4.8894 5.0352 5.0352 11.9975 11.9975 12.2772 12.2772 12.4394 12.4394 13.3795 13.3795 13.4232 13.4232 k =-0.5000 0.3081 0.1310 ( 4302 PWs) bands (ev): -13.2155 -13.2155 -13.0459 -13.0459 -11.5691 -11.5691 -9.1643 -9.1643 -9.0629 -9.0629 -8.9644 -8.9644 -3.2417 -3.2417 -2.0954 -2.0954 -2.0688 -2.0688 -1.1604 -1.1604 -0.7075 -0.7075 0.0205 0.0205 0.2465 0.2465 0.8145 0.8145 2.0414 2.0414 2.2786 2.2786 2.5315 2.5315 2.7218 2.7218 3.0350 3.0350 3.3281 3.3281 3.6173 3.6173 4.4032 4.4032 4.8944 4.8944 5.0538 5.0538 11.9797 11.9797 12.2803 12.2803 12.4538 12.4538 13.3177 13.3177 13.4055 13.4055 k =-0.5000 0.3081 0.1147 ( 4302 PWs) bands (ev): -13.2175 -13.2175 -13.0448 -13.0448 -11.5840 -11.5840 -9.1288 -9.1288 -9.0650 -9.0650 -8.9649 -8.9649 -3.2885 -3.2885 -2.0519 -2.0519 -2.0285 -2.0285 -1.1551 -1.1551 -0.7225 -0.7225 -0.0325 -0.0325 0.2039 0.2039 0.8053 0.8053 2.0288 2.0288 2.2950 2.2950 2.5364 2.5364 2.7138 2.7138 3.0738 3.0738 3.3282 3.3282 3.6095 3.6095 4.4047 4.4047 4.8989 4.8989 5.0712 5.0712 11.9638 11.9638 12.2824 12.2824 12.4702 12.4702 13.2578 13.2578 13.3891 13.3891 k =-0.5000 0.3081 0.0983 ( 4310 PWs) bands (ev): -13.2191 -13.2191 -13.0439 -13.0439 -11.5969 -11.5969 -9.0973 -9.0973 -9.0670 -9.0670 -8.9653 -8.9653 -3.3299 -3.3299 -2.0113 -2.0113 -1.9913 -1.9913 -1.1505 -1.1505 -0.7354 -0.7354 -0.0815 -0.0815 0.1644 0.1644 0.7974 0.7974 2.0182 2.0182 2.3093 2.3093 2.5412 2.5412 2.7070 2.7070 3.1074 3.1074 3.3281 3.3281 3.6026 3.6026 4.4056 4.4056 4.9029 4.9029 5.0870 5.0870 11.9500 11.9500 12.2837 12.2837 12.4884 12.4884 13.2008 13.2008 13.3741 13.3741 k =-0.5000 0.3081 0.0819 ( 4296 PWs) bands (ev): -13.2206 -13.2206 -13.0431 -13.0431 -11.6079 -11.6079 -9.0707 -9.0707 -9.0681 -9.0681 -8.9656 -8.9656 -3.3656 -3.3656 -1.9747 -1.9747 -1.9580 -1.9580 -1.1466 -1.1466 -0.7462 -0.7462 -0.1257 -0.1257 0.1288 0.1288 0.7906 0.7906 2.0094 2.0094 2.3215 2.3215 2.5457 2.5457 2.7012 2.7012 3.1357 3.1357 3.3279 3.3279 3.5968 3.5968 4.4062 4.4062 4.9063 4.9063 5.1010 5.1010 11.9382 11.9382 12.2845 12.2845 12.5078 12.5078 13.1479 13.1479 13.3609 13.3609 k =-0.5000 0.3081 0.0655 ( 4294 PWs) bands (ev): -13.2218 -13.2218 -13.0425 -13.0425 -11.6169 -11.6169 -9.0701 -9.0701 -9.0476 -9.0476 -8.9659 -8.9659 -3.3953 -3.3953 -1.9428 -1.9428 -1.9295 -1.9295 -1.1435 -1.1435 -0.7550 -0.7550 -0.1639 -0.1639 0.0982 0.0982 0.7851 0.7851 2.0024 2.0024 2.3316 2.3316 2.5496 2.5496 2.6964 2.6964 3.1588 3.1588 3.3277 3.3277 3.5919 3.5919 4.4066 4.4066 4.9091 4.9091 5.1129 5.1129 11.9286 11.9286 12.2850 12.2850 12.5274 12.5274 13.1002 13.1002 13.3497 13.3497 k =-0.5000 0.3081 0.0491 ( 4308 PWs) bands (ev): -13.2227 -13.2227 -13.0420 -13.0420 -11.6239 -11.6239 -9.0711 -9.0711 -9.0299 -9.0299 -8.9661 -8.9661 -3.4186 -3.4186 -1.9167 -1.9167 -1.9064 -1.9064 -1.1411 -1.1411 -0.7617 -0.7617 -0.1950 -0.1950 0.0732 0.0732 0.7807 0.7807 1.9970 1.9970 2.3395 2.3395 2.5528 2.5528 2.6928 2.6928 3.1767 3.1767 3.3275 3.3275 3.5881 3.5881 4.4068 4.4068 4.9113 4.9113 5.1224 5.1224 11.9210 11.9210 12.2853 12.2853 12.5460 12.5460 13.0595 13.0595 13.3408 13.3408 k =-0.5000 0.3081 0.0328 ( 4310 PWs) bands (ev): -13.2234 -13.2234 -13.0416 -13.0416 -11.6289 -11.6289 -9.0719 -9.0719 -9.0171 -9.0171 -8.9663 -8.9663 -3.4355 -3.4355 -1.8973 -1.8973 -1.8893 -1.8893 -1.1393 -1.1393 -0.7665 -0.7665 -0.2180 -0.2180 0.0548 0.0548 0.7776 0.7776 1.9932 1.9932 2.3451 2.3451 2.5552 2.5552 2.6901 2.6901 3.1895 3.1895 3.3273 3.3273 3.5853 3.5853 4.4069 4.4069 4.9129 4.9129 5.1294 5.1294 11.9156 11.9156 12.2854 12.2854 12.5617 12.5617 13.0278 13.0278 13.3343 13.3343 k =-0.5000 0.3081 0.0164 ( 4310 PWs) bands (ev): -13.2238 -13.2238 -13.0414 -13.0414 -11.6319 -11.6319 -9.0723 -9.0723 -9.0094 -9.0094 -8.9664 -8.9664 -3.4457 -3.4457 -1.8853 -1.8853 -1.8788 -1.8788 -1.1383 -1.1383 -0.7694 -0.7694 -0.2322 -0.2322 0.0435 0.0435 0.7758 0.7758 1.9910 1.9910 2.3485 2.3485 2.5566 2.5566 2.6885 2.6885 3.1971 3.1971 3.3272 3.3272 3.5836 3.5836 4.4070 4.4070 4.9138 4.9138 5.1336 5.1336 11.9124 11.9124 12.2855 12.2855 12.5725 12.5725 13.0074 13.0074 13.3304 13.3304 k =-0.5000 0.3081 0.0000 ( 4310 PWs) bands (ev): -13.2239 -13.2239 -13.0414 -13.0414 -11.6329 -11.6329 -9.0725 -9.0725 -9.0068 -9.0068 -8.9664 -8.9664 -3.4491 -3.4491 -1.8812 -1.8812 -1.8753 -1.8753 -1.1380 -1.1380 -0.7704 -0.7704 -0.2370 -0.2370 0.0397 0.0397 0.7752 0.7752 1.9902 1.9902 2.3497 2.3497 2.5571 2.5571 2.6880 2.6880 3.1997 3.1997 3.3272 3.3272 3.5831 3.5831 4.4070 4.4070 4.9141 4.9141 5.1350 5.1350 11.9113 11.9113 12.2855 12.2855 12.5763 12.5763 13.0003 13.0003 13.3290 13.3290 k = 0.0000 0.0000 0.5405 ( 4364 PWs) bands (ev): -13.2833 -13.2833 -13.2833 -13.2833 -10.1718 -10.1718 -10.1718 -10.1718 -8.9712 -8.9712 -8.9712 -8.9712 -4.0656 -4.0656 -4.0656 -4.0656 -0.5005 -0.5005 -0.5005 -0.5005 -0.0970 -0.0970 -0.0970 -0.0970 0.7354 0.7354 0.7354 0.7354 1.9420 1.9420 1.9420 1.9420 2.6974 2.6974 2.6974 2.6974 3.5729 3.5729 3.5729 3.5729 3.9961 3.9961 3.9961 3.9961 5.2513 5.2513 5.2513 5.2513 11.3183 11.3183 11.3183 11.3183 12.0478 12.0478 12.0478 12.0478 12.9076 12.9076 k =-0.0139 0.0086 0.5405 ( 4348 PWs) bands (ev): -13.2830 -13.2830 -13.2830 -13.2830 -10.1727 -10.1727 -10.1727 -10.1727 -8.9712 -8.9712 -8.9711 -8.9711 -4.0641 -4.0641 -4.0639 -4.0639 -0.5035 -0.5035 -0.5031 -0.5031 -0.0948 -0.0948 -0.0943 -0.0943 0.7364 0.7364 0.7365 0.7365 1.9399 1.9399 1.9401 1.9401 2.6988 2.6988 2.6989 2.6989 3.5723 3.5723 3.5725 3.5725 3.9944 3.9944 3.9945 3.9945 5.2511 5.2511 5.2511 5.2511 11.3182 11.3182 11.3184 11.3184 12.0497 12.0497 12.0503 12.0503 12.9080 12.9080 k =-0.0278 0.0171 0.5405 ( 4336 PWs) bands (ev): -13.2822 -13.2822 -13.2821 -13.2821 -10.1754 -10.1754 -10.1753 -10.1753 -8.9712 -8.9712 -8.9709 -8.9709 -4.0594 -4.0594 -4.0589 -4.0589 -0.5120 -0.5120 -0.5113 -0.5113 -0.0881 -0.0881 -0.0871 -0.0871 0.7395 0.7395 0.7398 0.7398 1.9338 1.9338 1.9342 1.9342 2.7029 2.7029 2.7032 2.7032 3.5708 3.5708 3.5712 3.5712 3.9896 3.9896 3.9898 3.9898 5.2505 5.2505 5.2507 5.2507 11.3181 11.3181 11.3186 11.3186 12.0559 12.0559 12.0571 12.0571 12.9093 12.9093 k =-0.0417 0.0257 0.5405 ( 4330 PWs) bands (ev): -13.2808 -13.2808 -13.2807 -13.2807 -10.1798 -10.1798 -10.1796 -10.1796 -8.9710 -8.9710 -8.9706 -8.9706 -4.0513 -4.0513 -4.0506 -4.0506 -0.5256 -0.5256 -0.5246 -0.5246 -0.0771 -0.0771 -0.0757 -0.0757 0.7447 0.7447 0.7451 0.7451 1.9239 1.9239 1.9245 1.9245 2.7095 2.7095 2.7100 2.7100 3.5684 3.5684 3.5689 3.5689 3.9817 3.9817 3.9820 3.9820 5.2496 5.2496 5.2498 5.2498 11.3181 11.3181 11.3188 11.3188 12.0663 12.0663 12.0681 12.0681 12.9115 12.9115 k =-0.0556 0.0342 0.5405 ( 4328 PWs) bands (ev): -13.2789 -13.2789 -13.2787 -13.2787 -10.1858 -10.1858 -10.1856 -10.1856 -8.9708 -8.9708 -8.9703 -8.9703 -4.0401 -4.0401 -4.0391 -4.0391 -0.5436 -0.5436 -0.5423 -0.5423 -0.0626 -0.0626 -0.0608 -0.0608 0.7519 0.7519 0.7525 0.7525 1.9103 1.9103 1.9112 1.9112 2.7185 2.7185 2.7191 2.7191 3.5650 3.5650 3.5657 3.5657 3.9710 3.9710 3.9714 3.9714 5.2481 5.2481 5.2483 5.2483 11.3184 11.3184 11.3193 11.3193 12.0806 12.0806 12.0830 12.0830 12.9146 12.9146 k =-0.0694 0.0428 0.5405 ( 4322 PWs) bands (ev): -13.2764 -13.2764 -13.2762 -13.2762 -10.1935 -10.1935 -10.1933 -10.1933 -8.9706 -8.9706 -8.9699 -8.9699 -4.0256 -4.0256 -4.0245 -4.0245 -0.5653 -0.5653 -0.5638 -0.5638 -0.0450 -0.0450 -0.0430 -0.0430 0.7611 0.7611 0.7619 0.7619 1.8934 1.8934 1.8945 1.8945 2.7295 2.7295 2.7302 2.7302 3.5606 3.5606 3.5615 3.5615 3.9579 3.9579 3.9584 3.9584 5.2459 5.2459 5.2461 5.2461 11.3192 11.3192 11.3203 11.3203 12.0985 12.0985 12.1015 12.1015 12.9185 12.9185 k =-0.0833 0.0513 0.5405 ( 4322 PWs) bands (ev): -13.2734 -13.2734 -13.2732 -13.2732 -10.2028 -10.2028 -10.2024 -10.2024 -8.9703 -8.9703 -8.9695 -8.9695 -4.0081 -4.0081 -4.0067 -4.0067 -0.5902 -0.5902 -0.5886 -0.5886 -0.0250 -0.0250 -0.0227 -0.0227 0.7723 0.7723 0.7732 0.7732 1.8734 1.8734 1.8746 1.8746 2.7420 2.7420 2.7428 2.7428 3.5554 3.5554 3.5564 3.5564 3.9427 3.9427 3.9433 3.9433 5.2429 5.2429 5.2431 5.2431 11.3206 11.3206 11.3218 11.3218 12.1195 12.1195 12.1232 12.1232 12.9233 12.9233 k =-0.0972 0.0599 0.5405 ( 4326 PWs) bands (ev): -13.2698 -13.2698 -13.2696 -13.2696 -10.2135 -10.2135 -10.2131 -10.2131 -8.9699 -8.9699 -8.9691 -8.9691 -3.9875 -3.9875 -3.9858 -3.9858 -0.6178 -0.6178 -0.6161 -0.6161 -0.0031 -0.0031 -0.0006 -0.0006 0.7853 0.7853 0.7863 0.7863 1.8504 1.8504 1.8519 1.8519 2.7557 2.7557 2.7566 2.7566 3.5492 3.5492 3.5504 3.5504 3.9260 3.9260 3.9266 3.9266 5.2388 5.2388 5.2390 5.2390 11.3228 11.3228 11.3241 11.3241 12.1434 12.1434 12.1476 12.1476 12.9289 12.9289 k =-0.1111 0.0685 0.5405 ( 4326 PWs) bands (ev): -13.2658 -13.2658 -13.2656 -13.2656 -10.2255 -10.2255 -10.2251 -10.2251 -8.9696 -8.9696 -8.9687 -8.9687 -3.9638 -3.9638 -3.9620 -3.9620 -0.6477 -0.6477 -0.6460 -0.6460 0.0205 0.0205 0.0231 0.0231 0.8001 0.8001 0.8012 0.8012 1.8250 1.8250 1.8266 1.8266 2.7701 2.7701 2.7712 2.7712 3.5421 3.5421 3.5436 3.5436 3.9081 3.9081 3.9088 3.9088 5.2335 5.2335 5.2338 5.2338 11.3259 11.3259 11.3274 11.3274 12.1697 12.1697 12.1745 12.1745 12.9353 12.9353 k =-0.1250 0.0770 0.5405 ( 4326 PWs) bands (ev): -13.2613 -13.2613 -13.2611 -13.2611 -10.2389 -10.2389 -10.2384 -10.2384 -8.9693 -8.9693 -8.9683 -8.9683 -3.9373 -3.9373 -3.9353 -3.9353 -0.6795 -0.6795 -0.6778 -0.6778 0.0454 0.0454 0.0481 0.0481 0.8165 0.8165 0.8178 0.8178 1.7972 1.7972 1.7989 1.7989 2.7847 2.7847 2.7859 2.7859 3.5342 3.5342 3.5359 3.5359 3.8896 3.8896 3.8905 3.8905 5.2269 5.2269 5.2271 5.2271 11.3301 11.3301 11.3317 11.3317 12.1978 12.1978 12.2031 12.2031 12.9425 12.9425 k =-0.1389 0.0856 0.5405 ( 4324 PWs) bands (ev): -13.2564 -13.2564 -13.2562 -13.2562 -10.2534 -10.2534 -10.2529 -10.2529 -8.9690 -8.9690 -8.9679 -8.9679 -3.9080 -3.9080 -3.9058 -3.9058 -0.7132 -0.7132 -0.7114 -0.7114 0.0714 0.0714 0.0742 0.0742 0.8346 0.8346 0.8360 0.8360 1.7674 1.7674 1.7693 1.7693 2.7990 2.7990 2.8004 2.8004 3.5254 3.5254 3.5273 3.5273 3.8712 3.8712 3.8722 3.8722 5.2188 5.2188 5.2190 5.2190 11.3354 11.3354 11.3371 11.3371 12.2273 12.2273 12.2332 12.2332 12.9507 12.9507 k =-0.1528 0.0941 0.5405 ( 4320 PWs) bands (ev): -13.2511 -13.2511 -13.2508 -13.2508 -10.2689 -10.2689 -10.2684 -10.2684 -8.9687 -8.9687 -8.9676 -8.9676 -3.8760 -3.8760 -3.8736 -3.8736 -0.7484 -0.7484 -0.7466 -0.7466 0.0984 0.0984 0.1012 0.1012 0.8542 0.8542 0.8556 0.8556 1.7357 1.7357 1.7378 1.7378 2.8127 2.8127 2.8142 2.8142 3.5157 3.5157 3.5179 3.5179 3.8533 3.8533 3.8544 3.8544 5.2091 5.2091 5.2092 5.2092 11.3419 11.3419 11.3437 11.3437 12.2577 12.2577 12.2642 12.2642 12.9599 12.9599 k =-0.1667 0.1027 0.5405 ( 4318 PWs) bands (ev): -13.2454 -13.2454 -13.2451 -13.2451 -10.2853 -10.2853 -10.2848 -10.2848 -8.9685 -8.9685 -8.9673 -8.9673 -3.8413 -3.8413 -3.8388 -3.8388 -0.7849 -0.7849 -0.7832 -0.7832 0.1260 0.1260 0.1289 0.1289 0.8752 0.8752 0.8768 0.8768 1.7025 1.7025 1.7047 1.7047 2.8252 2.8252 2.8268 2.8268 3.5053 3.5053 3.5078 3.5078 3.8366 3.8366 3.8377 3.8377 5.1977 5.1977 5.1978 5.1978 11.3496 11.3496 11.3515 11.3515 12.2885 12.2885 12.2955 12.2955 12.9703 12.9703 k =-0.1806 0.1112 0.5405 ( 4312 PWs) bands (ev): -13.2393 -13.2393 -13.2390 -13.2390 -10.3025 -10.3025 -10.3020 -10.3020 -8.9683 -8.9683 -8.9671 -8.9671 -3.8043 -3.8043 -3.8016 -3.8016 -0.8228 -0.8228 -0.8210 -0.8210 0.1542 0.1542 0.1571 0.1571 0.8976 0.8976 0.8992 0.8992 1.6680 1.6680 1.6703 1.6703 2.8361 2.8361 2.8379 2.8379 3.4942 3.4942 3.4970 3.4970 3.8214 3.8214 3.8227 3.8227 5.1845 5.1845 5.1848 5.1848 11.3585 11.3585 11.3604 11.3604 12.3192 12.3192 12.3268 12.3268 12.9822 12.9822 k =-0.1944 0.1198 0.5405 ( 4316 PWs) bands (ev): -13.2330 -13.2330 -13.2327 -13.2327 -10.3203 -10.3203 -10.3198 -10.3198 -8.9683 -8.9683 -8.9670 -8.9670 -3.7649 -3.7649 -3.7620 -3.7620 -0.8618 -0.8618 -0.8600 -0.8600 0.1828 0.1828 0.1858 0.1858 0.9212 0.9212 0.9229 0.9229 1.6323 1.6323 1.6348 1.6348 2.8450 2.8450 2.8469 2.8469 3.4824 3.4824 3.4854 3.4854 3.8085 3.8085 3.8098 3.8098 5.1697 5.1697 5.1700 5.1700 11.3685 11.3685 11.3705 11.3705 12.3492 12.3492 12.3573 12.3573 12.9958 12.9958 k =-0.2083 0.1284 0.5405 ( 4312 PWs) bands (ev): -13.2264 -13.2264 -13.2261 -13.2261 -10.3386 -10.3386 -10.3380 -10.3380 -8.9683 -8.9683 -8.9670 -8.9670 -3.7233 -3.7233 -3.7204 -3.7204 -0.9019 -0.9019 -0.9001 -0.9001 0.2118 0.2118 0.2147 0.2147 0.9460 0.9460 0.9478 0.9478 1.5958 1.5958 1.5984 1.5984 2.8515 2.8515 2.8535 2.8535 3.4699 3.4699 3.4732 3.4732 3.7982 3.7982 3.7995 3.7995 5.1532 5.1532 5.1536 5.1536 11.3796 11.3796 11.3815 11.3815 12.3780 12.3780 12.3866 12.3866 13.0113 13.0113 k =-0.2222 0.1369 0.5405 ( 4316 PWs) bands (ev): -13.2196 -13.2196 -13.2192 -13.2192 -10.3573 -10.3573 -10.3567 -10.3567 -8.9684 -8.9684 -8.9671 -8.9671 -3.6798 -3.6798 -3.6767 -3.6767 -0.9429 -0.9429 -0.9411 -0.9411 0.2409 0.2409 0.2439 0.2439 0.9717 0.9717 0.9736 0.9736 1.5587 1.5587 1.5615 1.5615 2.8553 2.8553 2.8574 2.8574 3.4567 3.4567 3.4603 3.4603 3.7908 3.7908 3.7922 3.7922 5.1351 5.1351 5.1356 5.1356 11.3915 11.3915 11.3935 11.3935 12.4052 12.4052 12.4143 12.4143 13.0292 13.0292 k =-0.2361 0.1455 0.5405 ( 4314 PWs) bands (ev): -13.2126 -13.2126 -13.2122 -13.2122 -10.3761 -10.3761 -10.3756 -10.3756 -8.9685 -8.9685 -8.9673 -8.9673 -3.6344 -3.6344 -3.6313 -3.6313 -0.9848 -0.9848 -0.9830 -0.9830 0.2700 0.2700 0.2730 0.2730 0.9983 0.9983 1.0003 1.0003 1.5213 1.5213 1.5243 1.5243 2.8562 2.8562 2.8584 2.8584 3.4431 3.4431 3.4468 3.4468 3.7867 3.7867 3.7881 3.7881 5.1155 5.1155 5.1161 5.1161 11.4042 11.4042 11.4063 11.4063 12.4304 12.4304 12.4398 12.4398 13.0496 13.0496 k =-0.2500 0.1540 0.5405 ( 4320 PWs) bands (ev): -13.2055 -13.2055 -13.2051 -13.2051 -10.3951 -10.3951 -10.3945 -10.3945 -8.9688 -8.9688 -8.9675 -8.9675 -3.5874 -3.5874 -3.5842 -3.5842 -1.0274 -1.0274 -1.0256 -1.0256 0.2990 0.2990 0.3020 0.3020 1.0254 1.0254 1.0276 1.0276 1.4841 1.4841 1.4873 1.4873 2.8541 2.8541 2.8564 2.8564 3.4289 3.4289 3.4328 3.4328 3.7859 3.7859 3.7873 3.7873 5.0945 5.0945 5.0953 5.0953 11.4175 11.4175 11.4196 11.4196 12.4531 12.4531 12.4628 12.4628 13.0728 13.0728 k =-0.2639 0.1626 0.5405 ( 4324 PWs) bands (ev): -13.1983 -13.1983 -13.1980 -13.1980 -10.4139 -10.4139 -10.4134 -10.4134 -8.9691 -8.9691 -8.9679 -8.9679 -3.5390 -3.5390 -3.5357 -3.5357 -1.0708 -1.0708 -1.0690 -1.0690 0.3278 0.3278 0.3308 0.3308 1.0526 1.0526 1.0550 1.0550 1.4476 1.4476 1.4510 1.4510 2.8491 2.8491 2.8514 2.8514 3.4142 3.4142 3.4182 3.4182 3.7885 3.7885 3.7899 3.7899 5.0723 5.0723 5.0732 5.0732 11.4314 11.4314 11.4335 11.4335 12.4732 12.4732 12.4831 12.4831 13.0989 13.0989 k =-0.2778 0.1711 0.5405 ( 4332 PWs) bands (ev): -13.1911 -13.1911 -13.1908 -13.1908 -10.4326 -10.4326 -10.4320 -10.4320 -8.9695 -8.9695 -8.9683 -8.9683 -3.4893 -3.4893 -3.4860 -3.4860 -1.1147 -1.1147 -1.1129 -1.1129 0.3563 0.3563 0.3593 0.3593 1.0793 1.0793 1.0819 1.0819 1.4126 1.4126 1.4161 1.4161 2.8412 2.8412 2.8435 2.8435 3.3993 3.3993 3.4033 3.4033 3.7943 3.7943 3.7957 3.7957 5.0490 5.0490 5.0501 5.0501 11.4455 11.4455 11.4477 11.4477 12.4906 12.4906 12.5007 12.5007 13.1277 13.1277 k =-0.2917 0.1797 0.5405 ( 4332 PWs) bands (ev): -13.1840 -13.1840 -13.1836 -13.1836 -10.4509 -10.4509 -10.4504 -10.4504 -8.9699 -8.9699 -8.9688 -8.9688 -3.4388 -3.4388 -3.4354 -3.4354 -1.1591 -1.1591 -1.1573 -1.1573 0.3843 0.3843 0.3873 0.3873 1.1042 1.1042 1.1070 1.1070 1.3802 1.3802 1.3841 1.3841 2.8306 2.8306 2.8329 2.8329 3.3841 3.3841 3.3881 3.3881 3.8031 3.8031 3.8046 3.8046 5.0250 5.0250 5.0261 5.0261 11.4599 11.4599 11.4621 11.4621 12.5054 12.5054 12.5155 12.5155 13.1590 13.1590 k =-0.3056 0.1883 0.5405 ( 4336 PWs) bands (ev): -13.1769 -13.1769 -13.1766 -13.1766 -10.4688 -10.4688 -10.4682 -10.4682 -8.9704 -8.9704 -8.9694 -8.9694 -3.3875 -3.3875 -3.3842 -3.3842 -1.2038 -1.2038 -1.2019 -1.2019 0.4118 0.4118 0.4148 0.4148 1.1252 1.1252 1.1284 1.1284 1.3528 1.3528 1.3569 1.3569 2.8175 2.8175 2.8198 2.8198 3.3688 3.3688 3.3728 3.3728 3.8145 3.8145 3.8160 3.8160 5.0003 5.0003 5.0015 5.0015 11.4743 11.4743 11.4765 11.4765 12.5178 12.5178 12.5277 12.5277 13.1924 13.1924 k =-0.3194 0.1968 0.5405 ( 4328 PWs) bands (ev): -13.1700 -13.1700 -13.1697 -13.1697 -10.4860 -10.4860 -10.4855 -10.4855 -8.9710 -8.9710 -8.9700 -8.9700 -3.3359 -3.3359 -3.3326 -3.3326 -1.2486 -1.2486 -1.2467 -1.2467 0.4387 0.4387 0.4417 0.4417 1.1388 1.1388 1.1422 1.1422 1.3339 1.3339 1.3381 1.3381 2.8024 2.8024 2.8046 2.8046 3.3537 3.3537 3.3576 3.3576 3.8283 3.8283 3.8297 3.8297 4.9752 4.9752 4.9765 4.9765 11.4885 11.4885 11.4907 11.4907 12.5280 12.5280 12.5377 12.5377 13.2274 13.2274 k =-0.3333 0.2054 0.5405 ( 4324 PWs) bands (ev): -13.1634 -13.1634 -13.1630 -13.1630 -10.5025 -10.5025 -10.5020 -10.5020 -8.9716 -8.9716 -8.9706 -8.9706 -3.2843 -3.2843 -3.2810 -3.2810 -1.2933 -1.2933 -1.2914 -1.2914 0.4650 0.4650 0.4679 0.4679 1.1409 1.1409 1.1442 1.1442 1.3280 1.3280 1.3319 1.3319 2.7854 2.7854 2.7876 2.7876 3.3388 3.3388 3.3425 3.3425 3.8438 3.8438 3.8453 3.8453 4.9499 4.9499 4.9513 4.9513 11.5025 11.5025 11.5046 11.5046 12.5362 12.5362 12.5457 12.5457 13.2633 13.2633 k =-0.3472 0.2139 0.5405 ( 4320 PWs) bands (ev): -13.1570 -13.1570 -13.1566 -13.1566 -10.5182 -10.5182 -10.5178 -10.5178 -8.9721 -8.9721 -8.9712 -8.9712 -3.2330 -3.2330 -3.2298 -3.2298 -1.3376 -1.3376 -1.3358 -1.3358 0.4905 0.4905 0.4934 0.4934 1.1303 1.1303 1.1333 1.1333 1.3359 1.3359 1.3392 1.3392 2.7671 2.7671 2.7691 2.7691 3.3243 3.3243 3.3278 3.3278 3.8607 3.8607 3.8622 3.8622 4.9248 4.9248 4.9262 4.9262 11.5160 11.5160 11.5181 11.5181 12.5429 12.5429 12.5519 12.5519 13.2994 13.2994 k =-0.3611 0.2225 0.5405 ( 4326 PWs) bands (ev): -13.1509 -13.1509 -13.1506 -13.1506 -10.5330 -10.5330 -10.5325 -10.5325 -8.9727 -8.9727 -8.9719 -8.9719 -3.1825 -3.1825 -3.1793 -3.1793 -1.3813 -1.3813 -1.3795 -1.3795 0.5153 0.5153 0.5181 0.5181 1.1103 1.1103 1.1130 1.1130 1.3539 1.3539 1.3566 1.3566 2.7478 2.7478 2.7497 2.7497 3.3104 3.3104 3.3137 3.3137 3.8786 3.8786 3.8800 3.8800 4.9001 4.9001 4.9015 4.9015 11.5289 11.5289 11.5310 11.5310 12.5482 12.5482 12.5568 12.5568 13.3348 13.3348 k =-0.3750 0.2310 0.5405 ( 4330 PWs) bands (ev): -13.1452 -13.1452 -13.1449 -13.1449 -10.5466 -10.5466 -10.5462 -10.5462 -8.9733 -8.9733 -8.9725 -8.9725 -3.1332 -3.1332 -3.1303 -3.1303 -1.4240 -1.4240 -1.4222 -1.4222 0.5392 0.5392 0.5421 0.5421 1.0853 1.0853 1.0878 1.0878 1.3775 1.3775 1.3796 1.3796 2.7280 2.7280 2.7297 2.7297 3.2973 3.2973 3.3003 3.3003 3.8968 3.8968 3.8982 3.8982 4.8761 4.8761 4.8775 4.8775 11.5412 11.5412 11.5431 11.5431 12.5525 12.5525 12.5606 12.5606 13.3686 13.3686 k =-0.3889 0.2396 0.5405 ( 4338 PWs) bands (ev): -13.1399 -13.1399 -13.1397 -13.1397 -10.5591 -10.5591 -10.5588 -10.5588 -8.9738 -8.9738 -8.9731 -8.9731 -3.0859 -3.0859 -3.0831 -3.0831 -1.4651 -1.4651 -1.4634 -1.4634 0.5624 0.5624 0.5651 0.5651 1.0583 1.0583 1.0607 1.0607 1.4032 1.4032 1.4050 1.4050 2.7080 2.7080 2.7096 2.7096 3.2851 3.2851 3.2879 3.2879 3.9150 3.9150 3.9164 3.9164 4.8531 4.8531 4.8545 4.8545 11.5525 11.5525 11.5544 11.5544 12.5560 12.5560 12.5634 12.5634 13.4001 13.4001 k =-0.4028 0.2482 0.5405 ( 4342 PWs) bands (ev): -13.1352 -13.1352 -13.1349 -13.1349 -10.5704 -10.5704 -10.5701 -10.5701 -8.9743 -8.9743 -8.9737 -8.9737 -3.0411 -3.0411 -3.0384 -3.0384 -1.5042 -1.5042 -1.5026 -1.5026 0.5845 0.5845 0.5872 0.5872 1.0309 1.0309 1.0332 1.0332 1.4293 1.4293 1.4308 1.4308 2.6885 2.6885 2.6899 2.6899 3.2740 3.2740 3.2765 3.2765 3.9327 3.9327 3.9340 3.9340 4.8315 4.8315 4.8329 4.8329 11.5629 11.5629 11.5647 11.5647 12.5589 12.5589 12.5656 12.5656 13.4281 13.4281 k =-0.4167 0.2567 0.5405 ( 4346 PWs) bands (ev): -13.1309 -13.1309 -13.1307 -13.1307 -10.5803 -10.5803 -10.5801 -10.5801 -8.9748 -8.9748 -8.9743 -8.9743 -2.9995 -2.9995 -2.9971 -2.9971 -1.5405 -1.5405 -1.5390 -1.5390 0.6056 0.6056 0.6082 0.6082 1.0043 1.0043 1.0066 1.0066 1.4544 1.4544 1.4557 1.4557 2.6699 2.6699 2.6712 2.6712 3.2641 3.2641 3.2663 3.2663 3.9494 3.9494 3.9506 3.9506 4.8117 4.8117 4.8129 4.8129 11.5722 11.5722 11.5738 11.5738 12.5612 12.5612 12.5672 12.5672 13.4521 13.4521 k =-0.4306 0.2653 0.5405 ( 4344 PWs) bands (ev): -13.1273 -13.1273 -13.1271 -13.1271 -10.5889 -10.5889 -10.5886 -10.5886 -8.9752 -8.9752 -8.9747 -8.9747 -2.9620 -2.9620 -2.9599 -2.9599 -1.5733 -1.5733 -1.5720 -1.5720 0.6255 0.6255 0.6278 0.6278 0.9793 0.9793 0.9814 0.9814 1.4775 1.4775 1.4786 1.4786 2.6528 2.6528 2.6539 2.6539 3.2556 3.2556 3.2574 3.2574 3.9647 3.9647 3.9657 3.9657 4.7940 4.7940 4.7951 4.7951 11.5803 11.5803 11.5817 11.5817 12.5632 12.5632 12.5683 12.5683 13.4714 13.4714 k =-0.4444 0.2738 0.5405 ( 4356 PWs) bands (ev): -13.1242 -13.1242 -13.1241 -13.1241 -10.5959 -10.5959 -10.5957 -10.5957 -8.9755 -8.9755 -8.9752 -8.9752 -2.9295 -2.9295 -2.9277 -2.9277 -1.6018 -1.6018 -1.6007 -1.6007 0.6436 0.6436 0.6457 0.6457 0.9566 0.9566 0.9586 0.9586 1.4977 1.4977 1.4986 1.4986 2.6378 2.6378 2.6387 2.6387 3.2485 3.2485 3.2500 3.2500 3.9779 3.9779 3.9788 3.9788 4.7788 4.7788 4.7798 4.7798 11.5871 11.5871 11.5882 11.5882 12.5649 12.5649 12.5691 12.5691 13.4861 13.4861 k =-0.4583 0.2824 0.5405 ( 4352 PWs) bands (ev): -13.1218 -13.1218 -13.1217 -13.1217 -10.6015 -10.6015 -10.6013 -10.6013 -8.9758 -8.9758 -8.9755 -8.9755 -2.9028 -2.9028 -2.9015 -2.9015 -1.6252 -1.6252 -1.6243 -1.6243 0.6595 0.6595 0.6613 0.6613 0.9372 0.9372 0.9388 0.9388 1.5143 1.5143 1.5150 1.5150 2.6255 2.6255 2.6262 2.6262 3.2430 3.2430 3.2441 3.2441 3.9889 3.9889 3.9895 3.9895 4.7666 4.7666 4.7673 4.7673 11.5926 11.5926 11.5934 11.5934 12.5663 12.5663 12.5695 12.5695 13.4964 13.4964 k =-0.4722 0.2910 0.5405 ( 4348 PWs) bands (ev): -13.1200 -13.1200 -13.1200 -13.1200 -10.6055 -10.6055 -10.6054 -10.6054 -8.9759 -8.9759 -8.9758 -8.9758 -2.8830 -2.8830 -2.8820 -2.8820 -1.6426 -1.6426 -1.6420 -1.6420 0.6723 0.6723 0.6736 0.6736 0.9220 0.9220 0.9232 0.9232 1.5267 1.5267 1.5271 1.5271 2.6163 2.6163 2.6168 2.6168 3.2390 3.2390 3.2397 3.2397 3.9970 3.9970 3.9975 3.9975 4.7576 4.7576 4.7581 4.7581 11.5965 11.5965 11.5971 11.5971 12.5675 12.5675 12.5696 12.5696 13.5032 13.5032 k =-0.4861 0.2995 0.5405 ( 4352 PWs) bands (ev): -13.1190 -13.1190 -13.1190 -13.1190 -10.6078 -10.6078 -10.6078 -10.6078 -8.9760 -8.9760 -8.9759 -8.9759 -2.8706 -2.8706 -2.8702 -2.8702 -1.6532 -1.6532 -1.6529 -1.6529 0.6808 0.6808 0.6815 0.6815 0.9123 0.9123 0.9129 0.9129 1.5344 1.5344 1.5346 1.5346 2.6106 2.6106 2.6109 2.6109 3.2367 3.2367 3.2370 3.2370 4.0021 4.0021 4.0023 4.0023 4.7521 4.7521 4.7524 4.7524 11.5990 11.5990 11.5993 11.5993 12.5684 12.5684 12.5695 12.5695 13.5071 13.5071 k =-0.5000 0.3081 0.5405 ( 4352 PWs) bands (ev): -13.1186 -13.1186 -13.1186 -13.1186 -10.6086 -10.6086 -10.6086 -10.6086 -8.9760 -8.9760 -8.9760 -8.9760 -2.8663 -2.8663 -2.8663 -2.8663 -1.6568 -1.6568 -1.6568 -1.6568 0.6840 0.6840 0.6840 0.6840 0.9091 0.9091 0.9091 0.9091 1.5370 1.5370 1.5370 1.5370 2.6088 2.6088 2.6088 2.6088 3.2360 3.2360 3.2360 3.2360 4.0039 4.0039 4.0039 4.0039 4.7504 4.7504 4.7504 4.7504 11.5999 11.5999 11.5999 11.5999 12.5691 12.5691 12.5691 12.5691 13.5088 13.5088 Writing output data file Si2N2O.save init_run : 4.63s CPU 13.46s WALL ( 1 calls) electrons : 1259.18s CPU 1268.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 1259.14s CPU 1268.68s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.05s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.04s CPU 0.63s WALL ( 1 calls) newd : 0.55s CPU 0.72s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 374 calls) cegterg : 1169.38s CPU 1176.23s WALL ( 1203 calls) Called by sum_band: Called by *egterg: h_psi : 418.57s CPU 431.33s WALL ( 22491 calls) s_psi : 66.83s CPU 67.32s WALL ( 22491 calls) g_psi : 0.92s CPU 1.02s WALL ( 20914 calls) cdiaghg : 526.94s CPU 521.89s WALL ( 21288 calls) cegterg:over : 88.86s CPU 85.03s WALL ( 20914 calls) cegterg:upda : 20.09s CPU 26.07s WALL ( 20914 calls) cegterg:last : 15.78s CPU 16.76s WALL ( 2701 calls) Called by h_psi: h_psi:vloc : 279.94s CPU 290.27s WALL ( 22491 calls) h_psi:vnl : 138.15s CPU 139.86s WALL ( 22491 calls) add_vuspsi : 49.15s CPU 56.24s WALL ( 22491 calls) General routines calbec : 88.91s CPU 83.45s WALL ( 22491 calls) fft : 0.26s CPU 1.16s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 262.93s CPU 269.41s WALL ( 1800336 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 2.83s WALL ( 748 calls) Parallel routines fft_scatter : 165.43s CPU 170.20s WALL ( 1800359 calls) PWSCF : 22m19.36s CPU 24m44.12s WALL This run was terminated on: 20: 7:17 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=