Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 24 7 763 330 55 Max 43 25 8 764 343 58 Sum 1521 867 269 27475 12095 2027 bravais-lattice index = 14 lattice parameter (alat) = 7.7977 a.u. unit-cell volume = 278.5252 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 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)= 7.797696 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.629923 celldm(5)= -0.629923 celldm(6)= 0.259847 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.259847 0.965650 0.000000 ) a(3) = ( -0.629923 -0.482825 0.608339 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.269090 0.821910 ) b(2) = ( 0.000000 1.035572 0.821910 ) b(3) = ( 0.000000 0.000000 1.643819 ) PseudoPot. # 1 for O read from file: /users/gautes/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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0000000 0.0000000 0.0130462), wk = 0.0022936 k( 3) = ( 0.0000000 0.0000000 0.0260924), wk = 0.0022936 k( 4) = ( 0.0000000 0.0000000 0.0391386), wk = 0.0022936 k( 5) = ( 0.0000000 0.0000000 0.0521847), wk = 0.0022936 k( 6) = ( 0.0000000 0.0000000 0.0652309), wk = 0.0022936 k( 7) = ( 0.0000000 0.0000000 0.0782771), wk = 0.0022936 k( 8) = ( 0.0000000 0.0000000 0.0913233), wk = 0.0022936 k( 9) = ( 0.0000000 0.0000000 0.1043695), wk = 0.0022936 k( 10) = ( 0.0000000 0.0000000 0.1174157), wk = 0.0022936 k( 11) = ( 0.0000000 0.0000000 0.1304619), wk = 0.0022936 k( 12) = ( 0.0000000 0.0000000 0.1435081), wk = 0.0022936 k( 13) = ( 0.0000000 0.0000000 0.1565542), wk = 0.0022936 k( 14) = ( 0.0000000 0.0000000 0.1696004), wk = 0.0022936 k( 15) = ( 0.0000000 0.0000000 0.1826466), wk = 0.0022936 k( 16) = ( 0.0000000 0.0000000 0.1956928), wk = 0.0022936 k( 17) = ( 0.0000000 0.0000000 0.2087390), wk = 0.0022936 k( 18) = ( 0.0000000 0.0000000 0.2217852), wk = 0.0022936 k( 19) = ( 0.0000000 0.0000000 0.2348313), wk = 0.0022936 k( 20) = ( 0.0000000 0.0000000 0.2478775), wk = 0.0022936 k( 21) = ( 0.0000000 0.0000000 0.2609237), wk = 0.0022936 k( 22) = ( 0.0000000 0.0000000 0.2739699), wk = 0.0022936 k( 23) = ( 0.0000000 0.0000000 0.2870161), wk = 0.0022936 k( 24) = ( 0.0000000 0.0000000 0.3000623), wk = 0.0022936 k( 25) = ( 0.0000000 0.0000000 0.3131085), wk = 0.0022936 k( 26) = ( 0.0000000 0.0000000 0.3261547), wk = 0.0022936 k( 27) = ( 0.0000000 0.0000000 0.3392008), wk = 0.0022936 k( 28) = ( 0.0000000 0.0000000 0.3522470), wk = 0.0022936 k( 29) = ( 0.0000000 0.0000000 0.3652932), wk = 0.0022936 k( 30) = ( 0.0000000 0.0000000 0.3783394), wk = 0.0022936 k( 31) = ( 0.0000000 0.0000000 0.3913856), wk = 0.0022936 k( 32) = ( 0.0000000 0.0000000 0.4044318), wk = 0.0022936 k( 33) = ( 0.0000000 0.0000000 0.4174780), wk = 0.0022936 k( 34) = ( 0.0000000 0.0000000 0.4305241), wk = 0.0022936 k( 35) = ( 0.0000000 0.0000000 0.4435703), wk = 0.0022936 k( 36) = ( 0.0000000 0.0000000 0.4566165), wk = 0.0022936 k( 37) = ( 0.0000000 0.0000000 0.4696627), wk = 0.0022936 k( 38) = ( 0.0000000 0.0000000 0.4827089), wk = 0.0022936 k( 39) = ( 0.0000000 0.0000000 0.4957551), wk = 0.0022936 k( 40) = ( 0.0000000 0.0000000 0.5088013), wk = 0.0022936 k( 41) = ( 0.0000000 0.0000000 0.5218475), wk = 0.0022936 k( 42) = ( 0.0000000 0.0000000 0.5348936), wk = 0.0022936 k( 43) = ( 0.0000000 0.0000000 0.5479398), wk = 0.0022936 k( 44) = ( 0.0000000 0.0000000 0.5609860), wk = 0.0022936 k( 45) = ( 0.0000000 0.0000000 0.5740322), wk = 0.0022936 k( 46) = ( 0.0000000 0.0000000 0.5870784), wk = 0.0022936 k( 47) = ( 0.0000000 0.0000000 0.6001246), wk = 0.0022936 k( 48) = ( 0.0000000 0.0000000 0.6131707), wk = 0.0022936 k( 49) = ( 0.0000000 0.0000000 0.6262169), wk = 0.0022936 k( 50) = ( 0.0000000 0.0000000 0.6392631), wk = 0.0022936 k( 51) = ( 0.0000000 0.0000000 0.6523093), wk = 0.0022936 k( 52) = ( 0.0000000 0.0000000 0.6653555), wk = 0.0022936 k( 53) = ( 0.0000000 0.0000000 0.6784017), wk = 0.0022936 k( 54) = ( 0.0000000 0.0000000 0.6914479), wk = 0.0022936 k( 55) = ( 0.0000000 0.0000000 0.7044941), wk = 0.0022936 k( 56) = ( 0.0000000 0.0000000 0.7175402), wk = 0.0022936 k( 57) = ( 0.0000000 0.0000000 0.7305864), wk = 0.0022936 k( 58) = ( 0.0000000 0.0000000 0.7436326), wk = 0.0022936 k( 59) = ( 0.0000000 0.0000000 0.7566788), wk = 0.0022936 k( 60) = ( 0.0000000 0.0000000 0.7697250), wk = 0.0022936 k( 61) = ( 0.0000000 0.0000000 0.7827712), wk = 0.0022936 k( 62) = ( 0.0000000 0.0000000 0.7958174), wk = 0.0022936 k( 63) = ( 0.0000000 0.0000000 0.8088635), wk = 0.0022936 k( 64) = ( 0.0000000 0.0000000 0.8219097), wk = 0.0022936 k( 65) = ( 0.0000000 0.0000000 0.8219097), wk = 0.0022936 k( 66) = ( -0.0077302 0.0100853 0.8219097), wk = 0.0022936 k( 67) = ( -0.0154604 0.0201706 0.8219097), wk = 0.0022936 k( 68) = ( -0.0231906 0.0302559 0.8219097), wk = 0.0022936 k( 69) = ( -0.0309208 0.0403412 0.8219097), wk = 0.0022936 k( 70) = ( -0.0386510 0.0504265 0.8219097), wk = 0.0022936 k( 71) = ( -0.0463812 0.0605118 0.8219097), wk = 0.0022936 k( 72) = ( -0.0541114 0.0705970 0.8219097), wk = 0.0022936 k( 73) = ( -0.0618416 0.0806823 0.8219097), wk = 0.0022936 k( 74) = ( -0.0695718 0.0907676 0.8219097), wk = 0.0022936 k( 75) = ( -0.0773020 0.1008529 0.8219097), wk = 0.0022936 k( 76) = ( -0.0850322 0.1109382 0.8219097), wk = 0.0022936 k( 77) = ( -0.0927623 0.1210235 0.8219097), wk = 0.0022936 k( 78) = ( -0.1004925 0.1311088 0.8219097), wk = 0.0022936 k( 79) = ( -0.1082227 0.1411941 0.8219097), wk = 0.0022936 k( 80) = ( -0.1159529 0.1512794 0.8219097), wk = 0.0022936 k( 81) = ( -0.1236831 0.1613647 0.8219097), wk = 0.0022936 k( 82) = ( -0.1314133 0.1714500 0.8219097), wk = 0.0022936 k( 83) = ( -0.1391435 0.1815352 0.8219097), wk = 0.0022936 k( 84) = ( -0.1468737 0.1916205 0.8219097), wk = 0.0022936 k( 85) = ( -0.1468737 0.1916205 0.8219097), wk = 0.0022936 k( 86) = ( -0.1523913 0.1988191 0.8128398), wk = 0.0022936 k( 87) = ( -0.1579089 0.2060177 0.8037699), wk = 0.0022936 k( 88) = ( -0.1634265 0.2132163 0.7946999), wk = 0.0022936 k( 89) = ( -0.1689441 0.2204149 0.7856300), wk = 0.0022936 k( 90) = ( -0.1744617 0.2276135 0.7765601), wk = 0.0022936 k( 91) = ( -0.1799793 0.2348121 0.7674901), wk = 0.0022936 k( 92) = ( -0.1854969 0.2420107 0.7584202), wk = 0.0022936 k( 93) = ( -0.1910145 0.2492093 0.7493503), wk = 0.0022936 k( 94) = ( -0.1965321 0.2564079 0.7402803), wk = 0.0022936 k( 95) = ( -0.2020497 0.2636065 0.7312104), wk = 0.0022936 k( 96) = ( -0.2075673 0.2708051 0.7221404), wk = 0.0022936 k( 97) = ( -0.2130849 0.2780037 0.7130705), wk = 0.0022936 k( 98) = ( -0.2186025 0.2852023 0.7040006), wk = 0.0022936 k( 99) = ( -0.2241201 0.2924009 0.6949306), wk = 0.0022936 k( 100) = ( -0.2296377 0.2995995 0.6858607), wk = 0.0022936 k( 101) = ( -0.2351553 0.3067981 0.6767908), wk = 0.0022936 k( 102) = ( -0.2406729 0.3139967 0.6677208), wk = 0.0022936 k( 103) = ( -0.2461905 0.3211953 0.6586509), wk = 0.0022936 k( 104) = ( -0.2517081 0.3283939 0.6495810), wk = 0.0022936 k( 105) = ( -0.2572257 0.3355925 0.6405110), wk = 0.0022936 k( 106) = ( -0.2627433 0.3427911 0.6314411), wk = 0.0022936 k( 107) = ( -0.2682609 0.3499897 0.6223712), wk = 0.0022936 k( 108) = ( -0.2737785 0.3571883 0.6133012), wk = 0.0022936 k( 109) = ( -0.2792961 0.3643869 0.6042313), wk = 0.0022936 k( 110) = ( -0.2848137 0.3715855 0.5951614), wk = 0.0022936 k( 111) = ( -0.2903313 0.3787841 0.5860914), wk = 0.0022936 k( 112) = ( -0.2958489 0.3859827 0.5770215), wk = 0.0022936 k( 113) = ( -0.3013665 0.3931813 0.5679515), wk = 0.0022936 k( 114) = ( -0.3068841 0.4003799 0.5588816), wk = 0.0022936 k( 115) = ( -0.3124017 0.4075785 0.5498117), wk = 0.0022936 k( 116) = ( -0.3179193 0.4147771 0.5407417), wk = 0.0022936 k( 117) = ( -0.3234369 0.4219757 0.5316718), wk = 0.0022936 k( 118) = ( -0.3234369 0.4219757 0.5316718), wk = 0.0022936 k( 119) = ( -0.3178604 0.4147003 0.5225051), wk = 0.0022936 k( 120) = ( -0.3122839 0.4074248 0.5133383), wk = 0.0022936 k( 121) = ( -0.3067074 0.4001494 0.5041715), wk = 0.0022936 k( 122) = ( -0.3011309 0.3928739 0.4950048), wk = 0.0022936 k( 123) = ( -0.2955544 0.3855985 0.4858380), wk = 0.0022936 k( 124) = ( -0.2899779 0.3783231 0.4766713), wk = 0.0022936 k( 125) = ( -0.2844014 0.3710476 0.4675045), wk = 0.0022936 k( 126) = ( -0.2788249 0.3637722 0.4583378), wk = 0.0022936 k( 127) = ( -0.2732484 0.3564967 0.4491710), wk = 0.0022936 k( 128) = ( -0.2676719 0.3492213 0.4400043), wk = 0.0022936 k( 129) = ( -0.2620954 0.3419458 0.4308375), wk = 0.0022936 k( 130) = ( -0.2565189 0.3346704 0.4216707), wk = 0.0022936 k( 131) = ( -0.2509424 0.3273950 0.4125040), wk = 0.0022936 k( 132) = ( -0.2453659 0.3201195 0.4033372), wk = 0.0022936 k( 133) = ( -0.2397894 0.3128441 0.3941705), wk = 0.0022936 k( 134) = ( -0.2342129 0.3055686 0.3850037), wk = 0.0022936 k( 135) = ( -0.2286364 0.2982932 0.3758370), wk = 0.0022936 k( 136) = ( -0.2230599 0.2910177 0.3666702), wk = 0.0022936 k( 137) = ( -0.2174834 0.2837423 0.3575035), wk = 0.0022936 k( 138) = ( -0.2119069 0.2764669 0.3483367), wk = 0.0022936 k( 139) = ( -0.2063304 0.2691914 0.3391699), wk = 0.0022936 k( 140) = ( -0.2007539 0.2619160 0.3300032), wk = 0.0022936 k( 141) = ( -0.1951774 0.2546405 0.3208364), wk = 0.0022936 k( 142) = ( -0.1896009 0.2473651 0.3116697), wk = 0.0022936 k( 143) = ( -0.1840244 0.2400896 0.3025029), wk = 0.0022936 k( 144) = ( -0.1784479 0.2328142 0.2933362), wk = 0.0022936 k( 145) = ( -0.1728714 0.2255388 0.2841694), wk = 0.0022936 k( 146) = ( -0.1672949 0.2182633 0.2750027), wk = 0.0022936 k( 147) = ( -0.1617184 0.2109879 0.2658359), wk = 0.0022936 k( 148) = ( -0.1561419 0.2037124 0.2566691), wk = 0.0022936 k( 149) = ( -0.1505654 0.1964370 0.2475024), wk = 0.0022936 k( 150) = ( -0.1449889 0.1891615 0.2383356), wk = 0.0022936 k( 151) = ( -0.1394124 0.1818861 0.2291689), wk = 0.0022936 k( 152) = ( -0.1338359 0.1746106 0.2200021), wk = 0.0022936 k( 153) = ( -0.1282594 0.1673352 0.2108354), wk = 0.0022936 k( 154) = ( -0.1226829 0.1600598 0.2016686), wk = 0.0022936 k( 155) = ( -0.1171065 0.1527843 0.1925019), wk = 0.0022936 k( 156) = ( -0.1115300 0.1455089 0.1833351), wk = 0.0022936 k( 157) = ( -0.1059535 0.1382334 0.1741684), wk = 0.0022936 k( 158) = ( -0.1003770 0.1309580 0.1650016), wk = 0.0022936 k( 159) = ( -0.0948005 0.1236825 0.1558348), wk = 0.0022936 k( 160) = ( -0.0892240 0.1164071 0.1466681), wk = 0.0022936 k( 161) = ( -0.0836475 0.1091316 0.1375013), wk = 0.0022936 k( 162) = ( -0.0780710 0.1018562 0.1283346), wk = 0.0022936 k( 163) = ( -0.0724945 0.0945808 0.1191678), wk = 0.0022936 k( 164) = ( -0.0669180 0.0873053 0.1100011), wk = 0.0022936 k( 165) = ( -0.0613415 0.0800299 0.1008343), wk = 0.0022936 k( 166) = ( -0.0557650 0.0727544 0.0916676), wk = 0.0022936 k( 167) = ( -0.0501885 0.0654790 0.0825008), wk = 0.0022936 k( 168) = ( -0.0446120 0.0582035 0.0733340), wk = 0.0022936 k( 169) = ( -0.0390355 0.0509281 0.0641673), wk = 0.0022936 k( 170) = ( -0.0334590 0.0436527 0.0550005), wk = 0.0022936 k( 171) = ( -0.0278825 0.0363772 0.0458338), wk = 0.0022936 k( 172) = ( -0.0223060 0.0291018 0.0366670), wk = 0.0022936 k( 173) = ( -0.0167295 0.0218263 0.0275003), wk = 0.0022936 k( 174) = ( -0.0111530 0.0145509 0.0183335), wk = 0.0022936 k( 175) = ( -0.0055765 0.0072754 0.0091668), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 178) = ( 0.0104167 0.0079842 0.0000000), wk = 0.0022936 k( 179) = ( 0.0208333 0.0159684 0.0000000), wk = 0.0022936 k( 180) = ( 0.0312500 0.0239526 0.0000000), wk = 0.0022936 k( 181) = ( 0.0416667 0.0319368 0.0000000), wk = 0.0022936 k( 182) = ( 0.0520833 0.0399209 0.0000000), wk = 0.0022936 k( 183) = ( 0.0625000 0.0479051 0.0000000), wk = 0.0022936 k( 184) = ( 0.0729167 0.0558893 0.0000000), wk = 0.0022936 k( 185) = ( 0.0833333 0.0638735 0.0000000), wk = 0.0022936 k( 186) = ( 0.0937500 0.0718577 0.0000000), wk = 0.0022936 k( 187) = ( 0.1041667 0.0798419 0.0000000), wk = 0.0022936 k( 188) = ( 0.1145833 0.0878261 0.0000000), wk = 0.0022936 k( 189) = ( 0.1250000 0.0958103 0.0000000), wk = 0.0022936 k( 190) = ( 0.1354167 0.1037945 0.0000000), wk = 0.0022936 k( 191) = ( 0.1458333 0.1117786 0.0000000), wk = 0.0022936 k( 192) = ( 0.1562500 0.1197628 0.0000000), wk = 0.0022936 k( 193) = ( 0.1666667 0.1277470 0.0000000), wk = 0.0022936 k( 194) = ( 0.1770833 0.1357312 0.0000000), wk = 0.0022936 k( 195) = ( 0.1875000 0.1437154 0.0000000), wk = 0.0022936 k( 196) = ( 0.1979167 0.1516996 0.0000000), wk = 0.0022936 k( 197) = ( 0.2083333 0.1596838 0.0000000), wk = 0.0022936 k( 198) = ( 0.2187500 0.1676680 0.0000000), wk = 0.0022936 k( 199) = ( 0.2291667 0.1756522 0.0000000), wk = 0.0022936 k( 200) = ( 0.2395833 0.1836363 0.0000000), wk = 0.0022936 k( 201) = ( 0.2500000 0.1916205 0.0000000), wk = 0.0022936 k( 202) = ( 0.2604167 0.1996047 0.0000000), wk = 0.0022936 k( 203) = ( 0.2708333 0.2075889 0.0000000), wk = 0.0022936 k( 204) = ( 0.2812500 0.2155731 0.0000000), wk = 0.0022936 k( 205) = ( 0.2916667 0.2235573 0.0000000), wk = 0.0022936 k( 206) = ( 0.3020833 0.2315415 0.0000000), wk = 0.0022936 k( 207) = ( 0.3125000 0.2395257 0.0000000), wk = 0.0022936 k( 208) = ( 0.3229167 0.2475099 0.0000000), wk = 0.0022936 k( 209) = ( 0.3333333 0.2554941 0.0000000), wk = 0.0022936 k( 210) = ( 0.3437500 0.2634782 0.0000000), wk = 0.0022936 k( 211) = ( 0.3541667 0.2714624 0.0000000), wk = 0.0022936 k( 212) = ( 0.3645833 0.2794466 0.0000000), wk = 0.0022936 k( 213) = ( 0.3750000 0.2874308 0.0000000), wk = 0.0022936 k( 214) = ( 0.3854167 0.2954150 0.0000000), wk = 0.0022936 k( 215) = ( 0.3958333 0.3033992 0.0000000), wk = 0.0022936 k( 216) = ( 0.4062500 0.3113834 0.0000000), wk = 0.0022936 k( 217) = ( 0.4166667 0.3193676 0.0000000), wk = 0.0022936 k( 218) = ( 0.4270833 0.3273518 0.0000000), wk = 0.0022936 k( 219) = ( 0.4375000 0.3353359 0.0000000), wk = 0.0022936 k( 220) = ( 0.4479167 0.3433201 0.0000000), wk = 0.0022936 k( 221) = ( 0.4583333 0.3513043 0.0000000), wk = 0.0022936 k( 222) = ( 0.4687500 0.3592885 0.0000000), wk = 0.0022936 k( 223) = ( 0.4791667 0.3672727 0.0000000), wk = 0.0022936 k( 224) = ( 0.4895833 0.3752569 0.0000000), wk = 0.0022936 k( 225) = ( 0.5000000 0.3832411 0.0000000), wk = 0.0022936 k( 226) = ( 0.5000000 0.3832411 0.0000000), wk = 0.0022936 k( 227) = ( 0.4944824 0.3904397 0.0090699), wk = 0.0022936 k( 228) = ( 0.4889648 0.3976383 0.0181399), wk = 0.0022936 k( 229) = ( 0.4834472 0.4048369 0.0272098), wk = 0.0022936 k( 230) = ( 0.4779296 0.4120355 0.0362797), wk = 0.0022936 k( 231) = ( 0.4724120 0.4192341 0.0453497), wk = 0.0022936 k( 232) = ( 0.4668944 0.4264327 0.0544196), wk = 0.0022936 k( 233) = ( 0.4613768 0.4336313 0.0634896), wk = 0.0022936 k( 234) = ( 0.4558592 0.4408299 0.0725595), wk = 0.0022936 k( 235) = ( 0.4503416 0.4480285 0.0816294), wk = 0.0022936 k( 236) = ( 0.4448240 0.4552271 0.0906993), wk = 0.0022936 k( 237) = ( 0.4393064 0.4624257 0.0997693), wk = 0.0022936 k( 238) = ( 0.4337888 0.4696243 0.1088392), wk = 0.0022936 k( 239) = ( 0.4282712 0.4768229 0.1179091), wk = 0.0022936 k( 240) = ( 0.4227536 0.4840215 0.1269791), wk = 0.0022936 k( 241) = ( 0.4172360 0.4912201 0.1360490), wk = 0.0022936 k( 242) = ( 0.4117184 0.4984187 0.1451190), wk = 0.0022936 k( 243) = ( 0.4062008 0.5056173 0.1541889), wk = 0.0022936 k( 244) = ( 0.4006832 0.5128159 0.1632588), wk = 0.0022936 k( 245) = ( 0.3951656 0.5200145 0.1723288), wk = 0.0022936 k( 246) = ( 0.3896480 0.5272131 0.1813987), wk = 0.0022936 k( 247) = ( 0.3841304 0.5344117 0.1904686), wk = 0.0022936 k( 248) = ( 0.3786128 0.5416103 0.1995386), wk = 0.0022936 k( 249) = ( 0.3730952 0.5488089 0.2086085), wk = 0.0022936 k( 250) = ( 0.3675776 0.5560075 0.2176784), wk = 0.0022936 k( 251) = ( 0.3620601 0.5632061 0.2267484), wk = 0.0022936 k( 252) = ( 0.3565425 0.5704047 0.2358183), wk = 0.0022936 k( 253) = ( 0.3510248 0.5776033 0.2448883), wk = 0.0022936 k( 254) = ( 0.3455072 0.5848019 0.2539582), wk = 0.0022936 k( 255) = ( 0.3399897 0.5920005 0.2630281), wk = 0.0022936 k( 256) = ( 0.3344721 0.5991991 0.2720980), wk = 0.0022936 k( 257) = ( 0.3289545 0.6063977 0.2811680), wk = 0.0022936 k( 258) = ( 0.3234369 0.6135963 0.2902379), wk = 0.0022936 k( 259) = ( 0.3234369 0.6135963 0.2902379), wk = 0.0022936 k( 260) = ( 0.3118856 0.6101745 0.2945492), wk = 0.0022936 k( 261) = ( 0.3003342 0.6067527 0.2988606), wk = 0.0022936 k( 262) = ( 0.2887829 0.6033309 0.3031719), wk = 0.0022936 k( 263) = ( 0.2772316 0.5999091 0.3074832), wk = 0.0022936 k( 264) = ( 0.2656803 0.5964873 0.3117945), wk = 0.0022936 k( 265) = ( 0.2541290 0.5930655 0.3161058), wk = 0.0022936 k( 266) = ( 0.2425777 0.5896437 0.3204172), wk = 0.0022936 k( 267) = ( 0.2310263 0.5862219 0.3247285), wk = 0.0022936 k( 268) = ( 0.2194750 0.5828001 0.3290398), wk = 0.0022936 k( 269) = ( 0.2079237 0.5793783 0.3333511), wk = 0.0022936 k( 270) = ( 0.1963724 0.5759565 0.3376624), wk = 0.0022936 k( 271) = ( 0.1848211 0.5725347 0.3419738), wk = 0.0022936 k( 272) = ( 0.1732698 0.5691129 0.3462851), wk = 0.0022936 k( 273) = ( 0.1617184 0.5656911 0.3505964), wk = 0.0022936 k( 274) = ( 0.1501671 0.5622693 0.3549077), wk = 0.0022936 k( 275) = ( 0.1386158 0.5588475 0.3592190), wk = 0.0022936 k( 276) = ( 0.1270645 0.5554257 0.3635304), wk = 0.0022936 k( 277) = ( 0.1155132 0.5520039 0.3678417), wk = 0.0022936 k( 278) = ( 0.1039618 0.5485822 0.3721530), wk = 0.0022936 k( 279) = ( 0.0924105 0.5451604 0.3764643), wk = 0.0022936 k( 280) = ( 0.0808592 0.5417386 0.3807756), wk = 0.0022936 k( 281) = ( 0.0693079 0.5383168 0.3850870), wk = 0.0022936 k( 282) = ( 0.0577566 0.5348950 0.3893983), wk = 0.0022936 k( 283) = ( 0.0462053 0.5314732 0.3937096), wk = 0.0022936 k( 284) = ( 0.0346540 0.5280514 0.3980209), wk = 0.0022936 k( 285) = ( 0.0231026 0.5246296 0.4023322), wk = 0.0022936 k( 286) = ( 0.0115513 0.5212078 0.4066435), wk = 0.0022936 k( 287) = ( 0.0000000 0.5177860 0.4109549), wk = 0.0022936 k( 288) = ( 0.0000000 0.5177860 0.4109549), wk = 0.0022936 k( 289) = ( 0.0055556 0.5105379 0.4200872), wk = 0.0022936 k( 290) = ( 0.0111111 0.5032898 0.4292195), wk = 0.0022936 k( 291) = ( 0.0166667 0.4960416 0.4383519), wk = 0.0022936 k( 292) = ( 0.0222222 0.4887935 0.4474842), wk = 0.0022936 k( 293) = ( 0.0277778 0.4815454 0.4566165), wk = 0.0022936 k( 294) = ( 0.0333333 0.4742973 0.4657488), wk = 0.0022936 k( 295) = ( 0.0388889 0.4670491 0.4748812), wk = 0.0022936 k( 296) = ( 0.0444444 0.4598010 0.4840135), wk = 0.0022936 k( 297) = ( 0.0500000 0.4525529 0.4931458), wk = 0.0022936 k( 298) = ( 0.0555556 0.4453048 0.5022782), wk = 0.0022936 k( 299) = ( 0.0611111 0.4380567 0.5114105), wk = 0.0022936 k( 300) = ( 0.0666667 0.4308085 0.5205428), wk = 0.0022936 k( 301) = ( 0.0722222 0.4235604 0.5296752), wk = 0.0022936 k( 302) = ( 0.0777778 0.4163123 0.5388075), wk = 0.0022936 k( 303) = ( 0.0833333 0.4090642 0.5479398), wk = 0.0022936 k( 304) = ( 0.0888889 0.4018161 0.5570722), wk = 0.0022936 k( 305) = ( 0.0944444 0.3945679 0.5662045), wk = 0.0022936 k( 306) = ( 0.1000000 0.3873198 0.5753368), wk = 0.0022936 k( 307) = ( 0.1055556 0.3800717 0.5844692), wk = 0.0022936 k( 308) = ( 0.1111111 0.3728236 0.5936015), wk = 0.0022936 k( 309) = ( 0.1166667 0.3655754 0.6027338), wk = 0.0022936 k( 310) = ( 0.1222222 0.3583273 0.6118661), wk = 0.0022936 k( 311) = ( 0.1277778 0.3510792 0.6209985), wk = 0.0022936 k( 312) = ( 0.1333333 0.3438311 0.6301308), wk = 0.0022936 k( 313) = ( 0.1388889 0.3365830 0.6392631), wk = 0.0022936 k( 314) = ( 0.1444444 0.3293348 0.6483954), wk = 0.0022936 k( 315) = ( 0.1500000 0.3220867 0.6575278), wk = 0.0022936 k( 316) = ( 0.1555556 0.3148386 0.6666601), wk = 0.0022936 k( 317) = ( 0.1611111 0.3075905 0.6757924), wk = 0.0022936 k( 318) = ( 0.1666667 0.3003424 0.6849248), wk = 0.0022936 k( 319) = ( 0.1722222 0.2930942 0.6940571), wk = 0.0022936 k( 320) = ( 0.1777778 0.2858461 0.7031894), wk = 0.0022936 k( 321) = ( 0.1833333 0.2785980 0.7123218), wk = 0.0022936 k( 322) = ( 0.1888889 0.2713499 0.7214541), wk = 0.0022936 k( 323) = ( 0.1944444 0.2641018 0.7305864), wk = 0.0022936 k( 324) = ( 0.2000000 0.2568536 0.7397188), wk = 0.0022936 k( 325) = ( 0.2055556 0.2496055 0.7488511), wk = 0.0022936 k( 326) = ( 0.2111111 0.2423574 0.7579834), wk = 0.0022936 k( 327) = ( 0.2166667 0.2351093 0.7671158), wk = 0.0022936 k( 328) = ( 0.2222222 0.2278611 0.7762481), wk = 0.0022936 k( 329) = ( 0.2277778 0.2206130 0.7853804), wk = 0.0022936 k( 330) = ( 0.2333333 0.2133649 0.7945127), wk = 0.0022936 k( 331) = ( 0.2388889 0.2061168 0.8036451), wk = 0.0022936 k( 332) = ( 0.2444444 0.1988687 0.8127774), wk = 0.0022936 k( 333) = ( 0.2500000 0.1916205 0.8219097), wk = 0.0022936 k( 334) = ( 0.2500000 0.1916205 0.8219097), wk = 0.0022936 k( 335) = ( 0.2580645 0.1978019 0.8141215), wk = 0.0022936 k( 336) = ( 0.2661290 0.2039832 0.8063333), wk = 0.0022936 k( 337) = ( 0.2741936 0.2101645 0.7985452), wk = 0.0022936 k( 338) = ( 0.2822581 0.2163458 0.7907570), wk = 0.0022936 k( 339) = ( 0.2903226 0.2225271 0.7829688), wk = 0.0022936 k( 340) = ( 0.2983871 0.2287084 0.7751806), wk = 0.0022936 k( 341) = ( 0.3064516 0.2348897 0.7673924), wk = 0.0022936 k( 342) = ( 0.3145161 0.2410710 0.7596042), wk = 0.0022936 k( 343) = ( 0.3225807 0.2472523 0.7518160), wk = 0.0022936 k( 344) = ( 0.3306452 0.2534336 0.7440278), wk = 0.0022936 k( 345) = ( 0.3387097 0.2596149 0.7362396), wk = 0.0022936 k( 346) = ( 0.3467742 0.2657962 0.7284514), wk = 0.0022936 k( 347) = ( 0.3548387 0.2719775 0.7206633), wk = 0.0022936 k( 348) = ( 0.3629032 0.2781589 0.7128751), wk = 0.0022936 k( 349) = ( 0.3709677 0.2843402 0.7050869), wk = 0.0022936 k( 350) = ( 0.3790323 0.2905215 0.6972987), wk = 0.0022936 k( 351) = ( 0.3870968 0.2967028 0.6895105), wk = 0.0022936 k( 352) = ( 0.3951613 0.3028841 0.6817223), wk = 0.0022936 k( 353) = ( 0.4032258 0.3090654 0.6739341), wk = 0.0022936 k( 354) = ( 0.4112903 0.3152467 0.6661459), wk = 0.0022936 k( 355) = ( 0.4193548 0.3214280 0.6583578), wk = 0.0022936 k( 356) = ( 0.4274193 0.3276093 0.6505695), wk = 0.0022936 k( 357) = ( 0.4354839 0.3337906 0.6427814), wk = 0.0022936 k( 358) = ( 0.4435484 0.3399719 0.6349932), wk = 0.0022936 k( 359) = ( 0.4516129 0.3461532 0.6272050), wk = 0.0022936 k( 360) = ( 0.4596774 0.3523345 0.6194168), wk = 0.0022936 k( 361) = ( 0.4677419 0.3585159 0.6116286), wk = 0.0022936 k( 362) = ( 0.4758064 0.3646972 0.6038404), wk = 0.0022936 k( 363) = ( 0.4838710 0.3708785 0.5960522), wk = 0.0022936 k( 364) = ( 0.4919355 0.3770598 0.5882640), wk = 0.0022936 k( 365) = ( 0.5000000 0.3832411 0.5804758), wk = 0.0022936 k( 366) = ( 0.5000000 0.3832411 0.5804758), wk = 0.0022936 k( 367) = ( 0.5000000 0.3832411 0.5675764), wk = 0.0022936 k( 368) = ( 0.5000000 0.3832411 0.5546769), wk = 0.0022936 k( 369) = ( 0.5000000 0.3832411 0.5417774), wk = 0.0022936 k( 370) = ( 0.5000000 0.3832411 0.5288780), wk = 0.0022936 k( 371) = ( 0.5000000 0.3832411 0.5159785), wk = 0.0022936 k( 372) = ( 0.5000000 0.3832411 0.5030791), wk = 0.0022936 k( 373) = ( 0.5000000 0.3832411 0.4901796), wk = 0.0022936 k( 374) = ( 0.5000000 0.3832411 0.4772801), wk = 0.0022936 k( 375) = ( 0.5000000 0.3832411 0.4643807), wk = 0.0022936 k( 376) = ( 0.5000000 0.3832411 0.4514812), wk = 0.0022936 k( 377) = ( 0.5000000 0.3832411 0.4385818), wk = 0.0022936 k( 378) = ( 0.5000000 0.3832411 0.4256823), wk = 0.0022936 k( 379) = ( 0.5000000 0.3832411 0.4127828), wk = 0.0022936 k( 380) = ( 0.5000000 0.3832411 0.3998834), wk = 0.0022936 k( 381) = ( 0.5000000 0.3832411 0.3869839), wk = 0.0022936 k( 382) = ( 0.5000000 0.3832411 0.3740844), wk = 0.0022936 k( 383) = ( 0.5000000 0.3832411 0.3611850), wk = 0.0022936 k( 384) = ( 0.5000000 0.3832411 0.3482855), wk = 0.0022936 k( 385) = ( 0.5000000 0.3832411 0.3353860), wk = 0.0022936 k( 386) = ( 0.5000000 0.3832411 0.3224866), wk = 0.0022936 k( 387) = ( 0.5000000 0.3832411 0.3095871), wk = 0.0022936 k( 388) = ( 0.5000000 0.3832411 0.2966876), wk = 0.0022936 k( 389) = ( 0.5000000 0.3832411 0.2837882), wk = 0.0022936 k( 390) = ( 0.5000000 0.3832411 0.2708887), wk = 0.0022936 k( 391) = ( 0.5000000 0.3832411 0.2579893), wk = 0.0022936 k( 392) = ( 0.5000000 0.3832411 0.2450898), wk = 0.0022936 k( 393) = ( 0.5000000 0.3832411 0.2321903), wk = 0.0022936 k( 394) = ( 0.5000000 0.3832411 0.2192909), wk = 0.0022936 k( 395) = ( 0.5000000 0.3832411 0.2063914), wk = 0.0022936 k( 396) = ( 0.5000000 0.3832411 0.1934920), wk = 0.0022936 k( 397) = ( 0.5000000 0.3832411 0.1805925), wk = 0.0022936 k( 398) = ( 0.5000000 0.3832411 0.1676930), wk = 0.0022936 k( 399) = ( 0.5000000 0.3832411 0.1547936), wk = 0.0022936 k( 400) = ( 0.5000000 0.3832411 0.1418941), wk = 0.0022936 k( 401) = ( 0.5000000 0.3832411 0.1289946), wk = 0.0022936 k( 402) = ( 0.5000000 0.3832411 0.1160952), wk = 0.0022936 k( 403) = ( 0.5000000 0.3832411 0.1031957), wk = 0.0022936 k( 404) = ( 0.5000000 0.3832411 0.0902962), wk = 0.0022936 k( 405) = ( 0.5000000 0.3832411 0.0773968), wk = 0.0022936 k( 406) = ( 0.5000000 0.3832411 0.0644973), wk = 0.0022936 k( 407) = ( 0.5000000 0.3832411 0.0515978), wk = 0.0022936 k( 408) = ( 0.5000000 0.3832411 0.0386984), wk = 0.0022936 k( 409) = ( 0.5000000 0.3832411 0.0257989), wk = 0.0022936 k( 410) = ( 0.5000000 0.3832411 0.0128995), wk = 0.0022936 k( 411) = ( 0.5000000 0.3832411 0.0000000), wk = 0.0022936 k( 412) = ( 0.0000000 0.0000000 0.8219097), wk = 0.0022936 k( 413) = ( 0.0104167 0.0079842 0.8219097), wk = 0.0022936 k( 414) = ( 0.0208333 0.0159684 0.8219097), wk = 0.0022936 k( 415) = ( 0.0312500 0.0239526 0.8219097), wk = 0.0022936 k( 416) = ( 0.0416667 0.0319368 0.8219097), wk = 0.0022936 k( 417) = ( 0.0520833 0.0399209 0.8219097), wk = 0.0022936 k( 418) = ( 0.0625000 0.0479051 0.8219097), wk = 0.0022936 k( 419) = ( 0.0729167 0.0558893 0.8219097), wk = 0.0022936 k( 420) = ( 0.0833333 0.0638735 0.8219097), wk = 0.0022936 k( 421) = ( 0.0937500 0.0718577 0.8219097), wk = 0.0022936 k( 422) = ( 0.1041667 0.0798419 0.8219097), wk = 0.0022936 k( 423) = ( 0.1145833 0.0878261 0.8219097), wk = 0.0022936 k( 424) = ( 0.1250000 0.0958103 0.8219097), wk = 0.0022936 k( 425) = ( 0.1354167 0.1037945 0.8219097), wk = 0.0022936 k( 426) = ( 0.1458333 0.1117786 0.8219097), wk = 0.0022936 k( 427) = ( 0.1562500 0.1197628 0.8219097), wk = 0.0022936 k( 428) = ( 0.1666667 0.1277470 0.8219097), wk = 0.0022936 k( 429) = ( 0.1770833 0.1357312 0.8219097), wk = 0.0022936 k( 430) = ( 0.1875000 0.1437154 0.8219097), wk = 0.0022936 k( 431) = ( 0.1979167 0.1516996 0.8219097), wk = 0.0022936 k( 432) = ( 0.2083333 0.1596838 0.8219097), wk = 0.0022936 k( 433) = ( 0.2187500 0.1676680 0.8219097), wk = 0.0022936 k( 434) = ( 0.2291667 0.1756522 0.8219097), wk = 0.0022936 k( 435) = ( 0.2395833 0.1836363 0.8219097), wk = 0.0022936 k( 436) = ( 0.2500000 0.1916205 0.8219097), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0022936 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0022936 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022936 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0022936 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0022936 k( 7) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022936 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022936 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0022936 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022936 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0022936 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0022936 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022936 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0022936 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022936 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022936 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0022936 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0022936 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022936 k( 20) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0022936 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0022936 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022936 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0022936 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0022936 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022936 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0022936 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0022936 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022936 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022936 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0022936 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022936 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0022936 k( 33) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0022936 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022936 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0022936 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022936 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022936 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0022936 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0022936 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022936 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0022936 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0022936 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022936 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0022936 k( 45) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0022936 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022936 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0022936 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0022936 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022936 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022936 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0022936 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022936 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0022936 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0022936 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022936 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0022936 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022936 k( 58) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0022936 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0022936 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0022936 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022936 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0022936 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0022936 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 66) = ( -0.0077302 0.0077302 0.5000000), wk = 0.0022936 k( 67) = ( -0.0154604 0.0154604 0.5000000), wk = 0.0022936 k( 68) = ( -0.0231906 0.0231906 0.5000000), wk = 0.0022936 k( 69) = ( -0.0309208 0.0309208 0.5000000), wk = 0.0022936 k( 70) = ( -0.0386510 0.0386510 0.5000000), wk = 0.0022936 k( 71) = ( -0.0463812 0.0463812 0.5000000), wk = 0.0022936 k( 72) = ( -0.0541114 0.0541114 0.5000000), wk = 0.0022936 k( 73) = ( -0.0618416 0.0618416 0.5000000), wk = 0.0022936 k( 74) = ( -0.0695718 0.0695718 0.5000000), wk = 0.0022936 k( 75) = ( -0.0773020 0.0773020 0.5000000), wk = 0.0022936 k( 76) = ( -0.0850322 0.0850322 0.5000000), wk = 0.0022936 k( 77) = ( -0.0927623 0.0927623 0.5000000), wk = 0.0022936 k( 78) = ( -0.1004925 0.1004926 0.5000000), wk = 0.0022936 k( 79) = ( -0.1082227 0.1082227 0.5000000), wk = 0.0022936 k( 80) = ( -0.1159529 0.1159529 0.5000000), wk = 0.0022936 k( 81) = ( -0.1236831 0.1236831 0.5000000), wk = 0.0022936 k( 82) = ( -0.1314133 0.1314133 0.5000000), wk = 0.0022936 k( 83) = ( -0.1391435 0.1391435 0.5000000), wk = 0.0022936 k( 84) = ( -0.1468737 0.1468737 0.5000000), wk = 0.0022936 k( 85) = ( -0.1468737 0.1468737 0.5000000), wk = 0.0022936 k( 86) = ( -0.1523913 0.1523913 0.4944824), wk = 0.0022936 k( 87) = ( -0.1579089 0.1579089 0.4889648), wk = 0.0022936 k( 88) = ( -0.1634265 0.1634265 0.4834472), wk = 0.0022936 k( 89) = ( -0.1689441 0.1689441 0.4779296), wk = 0.0022936 k( 90) = ( -0.1744617 0.1744617 0.4724120), wk = 0.0022936 k( 91) = ( -0.1799793 0.1799793 0.4668944), wk = 0.0022936 k( 92) = ( -0.1854969 0.1854969 0.4613768), wk = 0.0022936 k( 93) = ( -0.1910145 0.1910145 0.4558592), wk = 0.0022936 k( 94) = ( -0.1965321 0.1965321 0.4503416), wk = 0.0022936 k( 95) = ( -0.2020497 0.2020497 0.4448240), wk = 0.0022936 k( 96) = ( -0.2075673 0.2075673 0.4393064), wk = 0.0022936 k( 97) = ( -0.2130849 0.2130849 0.4337888), wk = 0.0022936 k( 98) = ( -0.2186025 0.2186025 0.4282712), wk = 0.0022936 k( 99) = ( -0.2241201 0.2241201 0.4227536), wk = 0.0022936 k( 100) = ( -0.2296377 0.2296377 0.4172360), wk = 0.0022936 k( 101) = ( -0.2351553 0.2351553 0.4117184), wk = 0.0022936 k( 102) = ( -0.2406729 0.2406729 0.4062008), wk = 0.0022936 k( 103) = ( -0.2461905 0.2461905 0.4006832), wk = 0.0022936 k( 104) = ( -0.2517081 0.2517081 0.3951656), wk = 0.0022936 k( 105) = ( -0.2572257 0.2572257 0.3896480), wk = 0.0022936 k( 106) = ( -0.2627433 0.2627433 0.3841304), wk = 0.0022936 k( 107) = ( -0.2682609 0.2682609 0.3786128), wk = 0.0022936 k( 108) = ( -0.2737785 0.2737785 0.3730952), wk = 0.0022936 k( 109) = ( -0.2792961 0.2792961 0.3675776), wk = 0.0022936 k( 110) = ( -0.2848137 0.2848137 0.3620601), wk = 0.0022936 k( 111) = ( -0.2903313 0.2903313 0.3565424), wk = 0.0022936 k( 112) = ( -0.2958489 0.2958489 0.3510248), wk = 0.0022936 k( 113) = ( -0.3013665 0.3013665 0.3455072), wk = 0.0022936 k( 114) = ( -0.3068841 0.3068841 0.3399897), wk = 0.0022936 k( 115) = ( -0.3124017 0.3124017 0.3344721), wk = 0.0022936 k( 116) = ( -0.3179193 0.3179193 0.3289545), wk = 0.0022936 k( 117) = ( -0.3234369 0.3234369 0.3234369), wk = 0.0022936 k( 118) = ( -0.3234369 0.3234369 0.3234369), wk = 0.0022936 k( 119) = ( -0.3178604 0.3178604 0.3178604), wk = 0.0022936 k( 120) = ( -0.3122839 0.3122839 0.3122839), wk = 0.0022936 k( 121) = ( -0.3067074 0.3067074 0.3067074), wk = 0.0022936 k( 122) = ( -0.3011309 0.3011309 0.3011309), wk = 0.0022936 k( 123) = ( -0.2955544 0.2955544 0.2955544), wk = 0.0022936 k( 124) = ( -0.2899779 0.2899779 0.2899779), wk = 0.0022936 k( 125) = ( -0.2844014 0.2844014 0.2844014), wk = 0.0022936 k( 126) = ( -0.2788249 0.2788249 0.2788249), wk = 0.0022936 k( 127) = ( -0.2732484 0.2732484 0.2732484), wk = 0.0022936 k( 128) = ( -0.2676719 0.2676719 0.2676719), wk = 0.0022936 k( 129) = ( -0.2620954 0.2620954 0.2620954), wk = 0.0022936 k( 130) = ( -0.2565189 0.2565189 0.2565189), wk = 0.0022936 k( 131) = ( -0.2509424 0.2509424 0.2509424), wk = 0.0022936 k( 132) = ( -0.2453659 0.2453659 0.2453659), wk = 0.0022936 k( 133) = ( -0.2397894 0.2397894 0.2397894), wk = 0.0022936 k( 134) = ( -0.2342129 0.2342129 0.2342129), wk = 0.0022936 k( 135) = ( -0.2286364 0.2286364 0.2286364), wk = 0.0022936 k( 136) = ( -0.2230599 0.2230599 0.2230599), wk = 0.0022936 k( 137) = ( -0.2174834 0.2174834 0.2174834), wk = 0.0022936 k( 138) = ( -0.2119069 0.2119069 0.2119069), wk = 0.0022936 k( 139) = ( -0.2063304 0.2063304 0.2063304), wk = 0.0022936 k( 140) = ( -0.2007539 0.2007539 0.2007539), wk = 0.0022936 k( 141) = ( -0.1951774 0.1951774 0.1951774), wk = 0.0022936 k( 142) = ( -0.1896009 0.1896009 0.1896009), wk = 0.0022936 k( 143) = ( -0.1840244 0.1840244 0.1840244), wk = 0.0022936 k( 144) = ( -0.1784479 0.1784479 0.1784479), wk = 0.0022936 k( 145) = ( -0.1728714 0.1728714 0.1728714), wk = 0.0022936 k( 146) = ( -0.1672949 0.1672949 0.1672949), wk = 0.0022936 k( 147) = ( -0.1617184 0.1617184 0.1617184), wk = 0.0022936 k( 148) = ( -0.1561419 0.1561419 0.1561419), wk = 0.0022936 k( 149) = ( -0.1505654 0.1505654 0.1505654), wk = 0.0022936 k( 150) = ( -0.1449889 0.1449889 0.1449889), wk = 0.0022936 k( 151) = ( -0.1394124 0.1394124 0.1394124), wk = 0.0022936 k( 152) = ( -0.1338359 0.1338359 0.1338359), wk = 0.0022936 k( 153) = ( -0.1282594 0.1282594 0.1282594), wk = 0.0022936 k( 154) = ( -0.1226829 0.1226829 0.1226829), wk = 0.0022936 k( 155) = ( -0.1171065 0.1171065 0.1171065), wk = 0.0022936 k( 156) = ( -0.1115300 0.1115300 0.1115300), wk = 0.0022936 k( 157) = ( -0.1059535 0.1059535 0.1059535), wk = 0.0022936 k( 158) = ( -0.1003770 0.1003770 0.1003770), wk = 0.0022936 k( 159) = ( -0.0948005 0.0948005 0.0948005), wk = 0.0022936 k( 160) = ( -0.0892240 0.0892240 0.0892240), wk = 0.0022936 k( 161) = ( -0.0836475 0.0836475 0.0836475), wk = 0.0022936 k( 162) = ( -0.0780710 0.0780710 0.0780710), wk = 0.0022936 k( 163) = ( -0.0724945 0.0724945 0.0724945), wk = 0.0022936 k( 164) = ( -0.0669180 0.0669180 0.0669180), wk = 0.0022936 k( 165) = ( -0.0613415 0.0613415 0.0613415), wk = 0.0022936 k( 166) = ( -0.0557650 0.0557650 0.0557650), wk = 0.0022936 k( 167) = ( -0.0501885 0.0501885 0.0501885), wk = 0.0022936 k( 168) = ( -0.0446120 0.0446120 0.0446120), wk = 0.0022936 k( 169) = ( -0.0390355 0.0390355 0.0390355), wk = 0.0022936 k( 170) = ( -0.0334590 0.0334590 0.0334590), wk = 0.0022936 k( 171) = ( -0.0278825 0.0278825 0.0278825), wk = 0.0022936 k( 172) = ( -0.0223060 0.0223060 0.0223060), wk = 0.0022936 k( 173) = ( -0.0167295 0.0167295 0.0167295), wk = 0.0022936 k( 174) = ( -0.0111530 0.0111530 0.0111530), wk = 0.0022936 k( 175) = ( -0.0055765 0.0055765 0.0055765), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 178) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0022936 k( 179) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0022936 k( 180) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0022936 k( 181) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0022936 k( 182) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0022936 k( 183) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022936 k( 184) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0022936 k( 185) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0022936 k( 186) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0022936 k( 187) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0022936 k( 188) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0022936 k( 189) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022936 k( 190) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0022936 k( 191) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0022936 k( 192) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0022936 k( 193) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0022936 k( 194) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0022936 k( 195) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022936 k( 196) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0022936 k( 197) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0022936 k( 198) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0022936 k( 199) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0022936 k( 200) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0022936 k( 201) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022936 k( 202) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0022936 k( 203) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0022936 k( 204) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0022936 k( 205) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0022936 k( 206) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0022936 k( 207) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022936 k( 208) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0022936 k( 209) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0022936 k( 210) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0022936 k( 211) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0022936 k( 212) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0022936 k( 213) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022936 k( 214) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0022936 k( 215) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0022936 k( 216) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0022936 k( 217) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0022936 k( 218) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0022936 k( 219) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022936 k( 220) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0022936 k( 221) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0022936 k( 222) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0022936 k( 223) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0022936 k( 224) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0022936 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022936 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022936 k( 227) = ( 0.4944824 0.5055176 -0.4944824), wk = 0.0022936 k( 228) = ( 0.4889648 0.5110352 -0.4889648), wk = 0.0022936 k( 229) = ( 0.4834472 0.5165528 -0.4834472), wk = 0.0022936 k( 230) = ( 0.4779296 0.5220704 -0.4779296), wk = 0.0022936 k( 231) = ( 0.4724120 0.5275880 -0.4724120), wk = 0.0022936 k( 232) = ( 0.4668944 0.5331056 -0.4668944), wk = 0.0022936 k( 233) = ( 0.4613768 0.5386232 -0.4613768), wk = 0.0022936 k( 234) = ( 0.4558592 0.5441408 -0.4558592), wk = 0.0022936 k( 235) = ( 0.4503416 0.5496584 -0.4503416), wk = 0.0022936 k( 236) = ( 0.4448240 0.5551760 -0.4448240), wk = 0.0022936 k( 237) = ( 0.4393064 0.5606936 -0.4393064), wk = 0.0022936 k( 238) = ( 0.4337888 0.5662112 -0.4337888), wk = 0.0022936 k( 239) = ( 0.4282712 0.5717288 -0.4282712), wk = 0.0022936 k( 240) = ( 0.4227536 0.5772464 -0.4227536), wk = 0.0022936 k( 241) = ( 0.4172360 0.5827640 -0.4172360), wk = 0.0022936 k( 242) = ( 0.4117184 0.5882816 -0.4117184), wk = 0.0022936 k( 243) = ( 0.4062008 0.5937992 -0.4062008), wk = 0.0022936 k( 244) = ( 0.4006832 0.5993168 -0.4006832), wk = 0.0022936 k( 245) = ( 0.3951656 0.6048344 -0.3951656), wk = 0.0022936 k( 246) = ( 0.3896480 0.6103520 -0.3896480), wk = 0.0022936 k( 247) = ( 0.3841304 0.6158696 -0.3841304), wk = 0.0022936 k( 248) = ( 0.3786128 0.6213872 -0.3786128), wk = 0.0022936 k( 249) = ( 0.3730952 0.6269048 -0.3730952), wk = 0.0022936 k( 250) = ( 0.3675776 0.6324224 -0.3675776), wk = 0.0022936 k( 251) = ( 0.3620601 0.6379400 -0.3620601), wk = 0.0022936 k( 252) = ( 0.3565425 0.6434575 -0.3565424), wk = 0.0022936 k( 253) = ( 0.3510248 0.6489751 -0.3510248), wk = 0.0022936 k( 254) = ( 0.3455072 0.6544927 -0.3455072), wk = 0.0022936 k( 255) = ( 0.3399897 0.6600103 -0.3399897), wk = 0.0022936 k( 256) = ( 0.3344721 0.6655279 -0.3344721), wk = 0.0022936 k( 257) = ( 0.3289545 0.6710455 -0.3289545), wk = 0.0022936 k( 258) = ( 0.3234369 0.6765631 -0.3234369), wk = 0.0022936 k( 259) = ( 0.3234369 0.6765631 -0.3234369), wk = 0.0022936 k( 260) = ( 0.3118856 0.6702573 -0.3118855), wk = 0.0022936 k( 261) = ( 0.3003342 0.6639515 -0.3003342), wk = 0.0022936 k( 262) = ( 0.2887829 0.6576457 -0.2887829), wk = 0.0022936 k( 263) = ( 0.2772316 0.6513398 -0.2772316), wk = 0.0022936 k( 264) = ( 0.2656803 0.6450340 -0.2656803), wk = 0.0022936 k( 265) = ( 0.2541290 0.6387282 -0.2541290), wk = 0.0022936 k( 266) = ( 0.2425777 0.6324223 -0.2425776), wk = 0.0022936 k( 267) = ( 0.2310263 0.6261165 -0.2310263), wk = 0.0022936 k( 268) = ( 0.2194750 0.6198107 -0.2194750), wk = 0.0022936 k( 269) = ( 0.2079237 0.6135049 -0.2079237), wk = 0.0022936 k( 270) = ( 0.1963724 0.6071990 -0.1963724), wk = 0.0022936 k( 271) = ( 0.1848211 0.6008932 -0.1848211), wk = 0.0022936 k( 272) = ( 0.1732698 0.5945874 -0.1732698), wk = 0.0022936 k( 273) = ( 0.1617184 0.5882816 -0.1617184), wk = 0.0022936 k( 274) = ( 0.1501671 0.5819757 -0.1501671), wk = 0.0022936 k( 275) = ( 0.1386158 0.5756699 -0.1386158), wk = 0.0022936 k( 276) = ( 0.1270645 0.5693641 -0.1270645), wk = 0.0022936 k( 277) = ( 0.1155132 0.5630583 -0.1155132), wk = 0.0022936 k( 278) = ( 0.1039618 0.5567524 -0.1039618), wk = 0.0022936 k( 279) = ( 0.0924105 0.5504466 -0.0924105), wk = 0.0022936 k( 280) = ( 0.0808592 0.5441408 -0.0808592), wk = 0.0022936 k( 281) = ( 0.0693079 0.5378350 -0.0693079), wk = 0.0022936 k( 282) = ( 0.0577566 0.5315291 -0.0577566), wk = 0.0022936 k( 283) = ( 0.0462053 0.5252233 -0.0462053), wk = 0.0022936 k( 284) = ( 0.0346540 0.5189175 -0.0346539), wk = 0.0022936 k( 285) = ( 0.0231026 0.5126116 -0.0231026), wk = 0.0022936 k( 286) = ( 0.0115513 0.5063058 -0.0115513), wk = 0.0022936 k( 287) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 288) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 289) = ( 0.0055556 0.4944444 0.0055556), wk = 0.0022936 k( 290) = ( 0.0111111 0.4888889 0.0111111), wk = 0.0022936 k( 291) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0022936 k( 292) = ( 0.0222222 0.4777778 0.0222222), wk = 0.0022936 k( 293) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0022936 k( 294) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0022936 k( 295) = ( 0.0388889 0.4611111 0.0388889), wk = 0.0022936 k( 296) = ( 0.0444444 0.4555556 0.0444444), wk = 0.0022936 k( 297) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022936 k( 298) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0022936 k( 299) = ( 0.0611111 0.4388889 0.0611111), wk = 0.0022936 k( 300) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0022936 k( 301) = ( 0.0722222 0.4277778 0.0722222), wk = 0.0022936 k( 302) = ( 0.0777778 0.4222222 0.0777778), wk = 0.0022936 k( 303) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0022936 k( 304) = ( 0.0888889 0.4111111 0.0888889), wk = 0.0022936 k( 305) = ( 0.0944444 0.4055556 0.0944444), wk = 0.0022936 k( 306) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022936 k( 307) = ( 0.1055556 0.3944444 0.1055556), wk = 0.0022936 k( 308) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0022936 k( 309) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0022936 k( 310) = ( 0.1222222 0.3777778 0.1222222), wk = 0.0022936 k( 311) = ( 0.1277778 0.3722222 0.1277778), wk = 0.0022936 k( 312) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0022936 k( 313) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0022936 k( 314) = ( 0.1444444 0.3555556 0.1444444), wk = 0.0022936 k( 315) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022936 k( 316) = ( 0.1555556 0.3444444 0.1555556), wk = 0.0022936 k( 317) = ( 0.1611111 0.3388889 0.1611111), wk = 0.0022936 k( 318) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0022936 k( 319) = ( 0.1722222 0.3277778 0.1722222), wk = 0.0022936 k( 320) = ( 0.1777778 0.3222222 0.1777778), wk = 0.0022936 k( 321) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0022936 k( 322) = ( 0.1888889 0.3111111 0.1888889), wk = 0.0022936 k( 323) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0022936 k( 324) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022936 k( 325) = ( 0.2055556 0.2944444 0.2055556), wk = 0.0022936 k( 326) = ( 0.2111111 0.2888889 0.2111111), wk = 0.0022936 k( 327) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0022936 k( 328) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0022936 k( 329) = ( 0.2277778 0.2722222 0.2277778), wk = 0.0022936 k( 330) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0022936 k( 331) = ( 0.2388889 0.2611111 0.2388889), wk = 0.0022936 k( 332) = ( 0.2444444 0.2555556 0.2444444), wk = 0.0022936 k( 333) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022936 k( 334) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022936 k( 335) = ( 0.2580645 0.2580645 0.2371976), wk = 0.0022936 k( 336) = ( 0.2661290 0.2661290 0.2243952), wk = 0.0022936 k( 337) = ( 0.2741936 0.2741936 0.2115929), wk = 0.0022936 k( 338) = ( 0.2822581 0.2822581 0.1987905), wk = 0.0022936 k( 339) = ( 0.2903226 0.2903226 0.1859881), wk = 0.0022936 k( 340) = ( 0.2983871 0.2983871 0.1731857), wk = 0.0022936 k( 341) = ( 0.3064516 0.3064516 0.1603834), wk = 0.0022936 k( 342) = ( 0.3145161 0.3145161 0.1475810), wk = 0.0022936 k( 343) = ( 0.3225807 0.3225807 0.1347786), wk = 0.0022936 k( 344) = ( 0.3306452 0.3306452 0.1219762), wk = 0.0022936 k( 345) = ( 0.3387097 0.3387097 0.1091738), wk = 0.0022936 k( 346) = ( 0.3467742 0.3467742 0.0963715), wk = 0.0022936 k( 347) = ( 0.3548387 0.3548387 0.0835691), wk = 0.0022936 k( 348) = ( 0.3629032 0.3629032 0.0707667), wk = 0.0022936 k( 349) = ( 0.3709677 0.3709677 0.0579643), wk = 0.0022936 k( 350) = ( 0.3790323 0.3790323 0.0451620), wk = 0.0022936 k( 351) = ( 0.3870968 0.3870968 0.0323596), wk = 0.0022936 k( 352) = ( 0.3951613 0.3951613 0.0195572), wk = 0.0022936 k( 353) = ( 0.4032258 0.4032258 0.0067548), wk = 0.0022936 k( 354) = ( 0.4112903 0.4112903 -0.0060476), wk = 0.0022936 k( 355) = ( 0.4193548 0.4193548 -0.0188499), wk = 0.0022936 k( 356) = ( 0.4274193 0.4274193 -0.0316523), wk = 0.0022936 k( 357) = ( 0.4354839 0.4354839 -0.0444547), wk = 0.0022936 k( 358) = ( 0.4435484 0.4435484 -0.0572571), wk = 0.0022936 k( 359) = ( 0.4516129 0.4516129 -0.0700595), wk = 0.0022936 k( 360) = ( 0.4596774 0.4596774 -0.0828618), wk = 0.0022936 k( 361) = ( 0.4677419 0.4677419 -0.0956642), wk = 0.0022936 k( 362) = ( 0.4758064 0.4758064 -0.1084666), wk = 0.0022936 k( 363) = ( 0.4838710 0.4838710 -0.1212690), wk = 0.0022936 k( 364) = ( 0.4919355 0.4919355 -0.1340713), wk = 0.0022936 k( 365) = ( 0.5000000 0.5000000 -0.1468737), wk = 0.0022936 k( 366) = ( 0.5000000 0.5000000 -0.1468737), wk = 0.0022936 k( 367) = ( 0.5000000 0.5000000 -0.1547210), wk = 0.0022936 k( 368) = ( 0.5000000 0.5000000 -0.1625682), wk = 0.0022936 k( 369) = ( 0.5000000 0.5000000 -0.1704155), wk = 0.0022936 k( 370) = ( 0.5000000 0.5000000 -0.1782627), wk = 0.0022936 k( 371) = ( 0.5000000 0.5000000 -0.1861100), wk = 0.0022936 k( 372) = ( 0.5000000 0.5000000 -0.1939572), wk = 0.0022936 k( 373) = ( 0.5000000 0.5000000 -0.2018045), wk = 0.0022936 k( 374) = ( 0.5000000 0.5000000 -0.2096517), wk = 0.0022936 k( 375) = ( 0.5000000 0.5000000 -0.2174990), wk = 0.0022936 k( 376) = ( 0.5000000 0.5000000 -0.2253462), wk = 0.0022936 k( 377) = ( 0.5000000 0.5000000 -0.2331935), wk = 0.0022936 k( 378) = ( 0.5000000 0.5000000 -0.2410407), wk = 0.0022936 k( 379) = ( 0.5000000 0.5000000 -0.2488880), wk = 0.0022936 k( 380) = ( 0.5000000 0.5000000 -0.2567352), wk = 0.0022936 k( 381) = ( 0.5000000 0.5000000 -0.2645825), wk = 0.0022936 k( 382) = ( 0.5000000 0.5000000 -0.2724297), wk = 0.0022936 k( 383) = ( 0.5000000 0.5000000 -0.2802770), wk = 0.0022936 k( 384) = ( 0.5000000 0.5000000 -0.2881242), wk = 0.0022936 k( 385) = ( 0.5000000 0.5000000 -0.2959715), wk = 0.0022936 k( 386) = ( 0.5000000 0.5000000 -0.3038187), wk = 0.0022936 k( 387) = ( 0.5000000 0.5000000 -0.3116660), wk = 0.0022936 k( 388) = ( 0.5000000 0.5000000 -0.3195132), wk = 0.0022936 k( 389) = ( 0.5000000 0.5000000 -0.3273605), wk = 0.0022936 k( 390) = ( 0.5000000 0.5000000 -0.3352077), wk = 0.0022936 k( 391) = ( 0.5000000 0.5000000 -0.3430550), wk = 0.0022936 k( 392) = ( 0.5000000 0.5000000 -0.3509022), wk = 0.0022936 k( 393) = ( 0.5000000 0.5000000 -0.3587495), wk = 0.0022936 k( 394) = ( 0.5000000 0.5000000 -0.3665967), wk = 0.0022936 k( 395) = ( 0.5000000 0.5000000 -0.3744440), wk = 0.0022936 k( 396) = ( 0.5000000 0.5000000 -0.3822912), wk = 0.0022936 k( 397) = ( 0.5000000 0.5000000 -0.3901385), wk = 0.0022936 k( 398) = ( 0.5000000 0.5000000 -0.3979857), wk = 0.0022936 k( 399) = ( 0.5000000 0.5000000 -0.4058330), wk = 0.0022936 k( 400) = ( 0.5000000 0.5000000 -0.4136802), wk = 0.0022936 k( 401) = ( 0.5000000 0.5000000 -0.4215275), wk = 0.0022936 k( 402) = ( 0.5000000 0.5000000 -0.4293748), wk = 0.0022936 k( 403) = ( 0.5000000 0.5000000 -0.4372220), wk = 0.0022936 k( 404) = ( 0.5000000 0.5000000 -0.4450693), wk = 0.0022936 k( 405) = ( 0.5000000 0.5000000 -0.4529165), wk = 0.0022936 k( 406) = ( 0.5000000 0.5000000 -0.4607638), wk = 0.0022936 k( 407) = ( 0.5000000 0.5000000 -0.4686110), wk = 0.0022936 k( 408) = ( 0.5000000 0.5000000 -0.4764583), wk = 0.0022936 k( 409) = ( 0.5000000 0.5000000 -0.4843055), wk = 0.0022936 k( 410) = ( 0.5000000 0.5000000 -0.4921528), wk = 0.0022936 k( 411) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022936 k( 412) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 413) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0022936 k( 414) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0022936 k( 415) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0022936 k( 416) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0022936 k( 417) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0022936 k( 418) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022936 k( 419) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0022936 k( 420) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0022936 k( 421) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0022936 k( 422) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0022936 k( 423) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0022936 k( 424) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022936 k( 425) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0022936 k( 426) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0022936 k( 427) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0022936 k( 428) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022936 k( 429) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0022936 k( 430) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022936 k( 431) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0022936 k( 432) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0022936 k( 433) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0022936 k( 434) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0022936 k( 435) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0022936 k( 436) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022936 Dense grid: 27475 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 12095 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 94, 30) NL pseudopotentials 0.04 Mb ( 47, 62) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 764) G-vector shells 0.00 Mb ( 334) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 94, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrO2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.9 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 4.9 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.6 secs Computing kpt #: 22 total cpu time spent up to now is 5.7 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.0 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.3 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.1 secs Computing kpt #: 32 total cpu time spent up to now is 7.3 secs Computing kpt #: 33 total cpu time spent up to now is 7.4 secs Computing kpt #: 34 total cpu time spent up to now is 7.6 secs Computing kpt #: 35 total cpu time spent up to now is 7.7 secs Computing kpt #: 36 total cpu time spent up to now is 7.9 secs Computing kpt #: 37 total cpu time spent up to now is 8.0 secs Computing kpt #: 38 total cpu time spent up to now is 8.2 secs Computing kpt #: 39 total cpu time spent up to now is 8.4 secs Computing kpt #: 40 total cpu time spent up to now is 8.5 secs Computing kpt #: 41 total cpu time spent up to now is 8.7 secs Computing kpt #: 42 total cpu time spent up to now is 8.8 secs Computing kpt #: 43 total cpu time spent up to now is 9.0 secs Computing kpt #: 44 total cpu time spent up to now is 9.2 secs Computing kpt #: 45 total cpu time spent up to now is 9.4 secs Computing kpt #: 46 total cpu time spent up to now is 9.5 secs Computing kpt #: 47 total cpu time spent up to now is 9.7 secs Computing kpt #: 48 total cpu time spent up to now is 9.8 secs Computing kpt #: 49 total cpu time spent up to now is 10.0 secs Computing kpt #: 50 total cpu time spent up to now is 10.1 secs Computing kpt #: 51 total cpu time spent up to now is 10.3 secs Computing kpt #: 52 total cpu time spent up to now is 10.4 secs Computing kpt #: 53 total cpu time spent up to now is 10.6 secs Computing kpt #: 54 total cpu time spent up to now is 10.7 secs Computing kpt #: 55 total cpu time spent up to now is 10.9 secs Computing kpt #: 56 total cpu time spent up to now is 11.0 secs Computing kpt #: 57 total cpu time spent up to now is 11.1 secs Computing kpt #: 58 total cpu time spent up to now is 11.3 secs Computing kpt #: 59 total cpu time spent up to now is 11.4 secs Computing kpt #: 60 total cpu time spent up to now is 11.6 secs Computing kpt #: 61 total cpu time spent up to now is 11.7 secs Computing kpt #: 62 total cpu time spent up to now is 11.9 secs Computing kpt #: 63 total cpu time spent up to now is 12.0 secs Computing kpt #: 64 total cpu time spent up to now is 12.1 secs Computing kpt #: 65 total cpu time spent up to now is 12.3 secs Computing kpt #: 66 total cpu time spent up to now is 12.5 secs Computing kpt #: 67 total cpu time spent up to now is 12.6 secs Computing kpt #: 68 total cpu time spent up to now is 12.8 secs Computing kpt #: 69 total cpu time spent up to now is 12.9 secs Computing kpt #: 70 total cpu time spent up to now is 13.1 secs Computing kpt #: 71 total cpu time spent up to now is 13.3 secs Computing kpt #: 72 total cpu time spent up to now is 13.4 secs Computing kpt #: 73 total cpu time spent up to now is 13.6 secs Computing kpt #: 74 total cpu time spent up to now is 13.8 secs Computing kpt #: 75 total cpu time spent up to now is 14.0 secs Computing kpt #: 76 total cpu time spent up to now is 14.1 secs Computing kpt #: 77 total cpu time spent up to now is 14.3 secs Computing kpt #: 78 total cpu time spent up to now is 14.4 secs Computing kpt #: 79 total cpu time spent up to now is 14.6 secs Computing kpt #: 80 total cpu time spent up to now is 14.7 secs Computing kpt #: 81 total cpu time spent up to now is 14.9 secs Computing kpt #: 82 total cpu time spent up to now is 15.0 secs Computing kpt #: 83 total cpu time spent up to now is 15.2 secs Computing kpt #: 84 total cpu time spent up to now is 15.3 secs Computing kpt #: 85 total cpu time spent up to now is 15.4 secs Computing kpt #: 86 total cpu time spent up to now is 15.6 secs Computing kpt #: 87 total cpu time spent up to now is 15.8 secs Computing kpt #: 88 total cpu time spent up to now is 15.9 secs Computing kpt #: 89 total cpu time spent up to now is 16.1 secs Computing kpt #: 90 total cpu time spent up to now is 16.2 secs Computing kpt #: 91 total cpu time spent up to now is 16.4 secs Computing kpt #: 92 total cpu time spent up to now is 16.5 secs Computing kpt #: 93 total cpu time spent up to now is 16.6 secs Computing kpt #: 94 total cpu time spent up to now is 16.8 secs Computing kpt #: 95 total cpu time spent up to now is 16.9 secs Computing kpt #: 96 total cpu time spent up to now is 17.1 secs Computing kpt #: 97 total cpu time spent up to now is 17.2 secs Computing kpt #: 98 total cpu time spent up to now is 17.4 secs Computing kpt #: 99 total cpu time spent up to now is 17.5 secs Computing kpt #: 100 total cpu time spent up to now is 17.6 secs Computing kpt #: 101 total cpu time spent up to now is 17.8 secs Computing kpt #: 102 total cpu time spent up to now is 17.9 secs Computing kpt #: 103 total cpu time spent up to now is 18.1 secs Computing kpt #: 104 total cpu time spent up to now is 18.2 secs Computing kpt #: 105 total cpu time spent up to now is 18.3 secs Computing kpt #: 106 total cpu time spent up to now is 18.5 secs Computing kpt #: 107 total cpu time spent up to now is 18.6 secs Computing kpt #: 108 total cpu time spent up to now is 18.8 secs Computing kpt #: 109 total cpu time spent up to now is 18.9 secs Computing kpt #: 110 total cpu time spent up to now is 19.0 secs Computing kpt #: 111 total cpu time spent up to now is 19.2 secs Computing kpt #: 112 total cpu time spent up to now is 19.3 secs Computing kpt #: 113 total cpu time spent up to now is 19.5 secs Computing kpt #: 114 total cpu time spent up to now is 19.6 secs Computing kpt #: 115 total cpu time spent up to now is 19.7 secs Computing kpt #: 116 total cpu time spent up to now is 19.9 secs Computing kpt #: 117 total cpu time spent up to now is 20.0 secs Computing kpt #: 118 total cpu time spent up to now is 20.2 secs Computing kpt #: 119 total cpu time spent up to now is 20.3 secs Computing kpt #: 120 total cpu time spent up to now is 20.5 secs Computing kpt #: 121 total cpu time spent up to now is 20.6 secs Computing kpt #: 122 total cpu time spent up to now is 20.8 secs Computing kpt #: 123 total cpu time spent up to now is 20.9 secs Computing kpt #: 124 total cpu time spent up to now is 21.1 secs Computing kpt #: 125 total cpu time spent up to now is 21.2 secs Computing kpt #: 126 total cpu time spent up to now is 21.4 secs Computing kpt #: 127 total cpu time spent up to now is 21.5 secs Computing kpt #: 128 total cpu time spent up to now is 21.7 secs Computing kpt #: 129 total cpu time spent up to now is 21.8 secs Computing kpt #: 130 total cpu time spent up to now is 21.9 secs Computing kpt #: 131 total cpu time spent up to now is 22.1 secs Computing kpt #: 132 total cpu time spent up to now is 22.2 secs Computing kpt #: 133 total cpu time spent up to now is 22.4 secs Computing kpt #: 134 total cpu time spent up to now is 22.5 secs Computing kpt #: 135 total cpu time spent up to now is 22.6 secs Computing kpt #: 136 total cpu time spent up to now is 22.8 secs Computing kpt #: 137 total cpu time spent up to now is 22.9 secs Computing kpt #: 138 total cpu time spent up to now is 23.1 secs Computing kpt #: 139 total cpu time spent up to now is 23.2 secs Computing kpt #: 140 total cpu time spent up to now is 23.3 secs Computing kpt #: 141 total cpu time spent up to now is 23.5 secs Computing kpt #: 142 total cpu time spent up to now is 23.6 secs Computing kpt #: 143 total cpu time spent up to now is 23.7 secs Computing kpt #: 144 total cpu time spent up to now is 23.9 secs Computing kpt #: 145 total cpu time spent up to now is 24.0 secs Computing kpt #: 146 total cpu time spent up to now is 24.1 secs Computing kpt #: 147 total cpu time spent up to now is 24.3 secs Computing kpt #: 148 total cpu time spent up to now is 24.4 secs Computing kpt #: 149 total cpu time spent up to now is 24.5 secs Computing kpt #: 150 total cpu time spent up to now is 24.7 secs Computing kpt #: 151 total cpu time spent up to now is 24.8 secs Computing kpt #: 152 total cpu time spent up to now is 25.0 secs Computing kpt #: 153 total cpu time spent up to now is 25.1 secs Computing kpt #: 154 total cpu time spent up to now is 25.2 secs Computing kpt #: 155 total cpu time spent up to now is 25.4 secs Computing kpt #: 156 total cpu time spent up to now is 25.5 secs Computing kpt #: 157 total cpu time spent up to now is 25.6 secs Computing kpt #: 158 total cpu time spent up to now is 25.8 secs Computing kpt #: 159 total cpu time spent up to now is 25.9 secs Computing kpt #: 160 total cpu time spent up to now is 26.1 secs Computing kpt #: 161 total cpu time spent up to now is 26.2 secs Computing kpt #: 162 total cpu time spent up to now is 26.3 secs Computing kpt #: 163 total cpu time spent up to now is 26.5 secs Computing kpt #: 164 total cpu time spent up to now is 26.6 secs Computing kpt #: 165 total cpu time spent up to now is 26.8 secs Computing kpt #: 166 total cpu time spent up to now is 26.9 secs Computing kpt #: 167 total cpu time spent up to now is 27.0 secs Computing kpt #: 168 total cpu time spent up to now is 27.2 secs Computing kpt #: 169 total cpu time spent up to now is 27.3 secs Computing kpt #: 170 total cpu time spent up to now is 27.5 secs Computing kpt #: 171 total cpu time spent up to now is 27.6 secs Computing kpt #: 172 total cpu time spent up to now is 27.7 secs Computing kpt #: 173 total cpu time spent up to now is 27.9 secs Computing kpt #: 174 total cpu time spent up to now is 28.0 secs Computing kpt #: 175 total cpu time spent up to now is 28.2 secs Computing kpt #: 176 total cpu time spent up to now is 28.3 secs Computing kpt #: 177 total cpu time spent up to now is 28.4 secs Computing kpt #: 178 total cpu time spent up to now is 28.6 secs Computing kpt #: 179 total cpu time spent up to now is 28.7 secs Computing kpt #: 180 total cpu time spent up to now is 28.9 secs Computing kpt #: 181 total cpu time spent up to now is 29.0 secs Computing kpt #: 182 total cpu time spent up to now is 29.2 secs Computing kpt #: 183 total cpu time spent up to now is 29.3 secs Computing kpt #: 184 total cpu time spent up to now is 29.5 secs Computing kpt #: 185 total cpu time spent up to now is 29.6 secs Computing kpt #: 186 total cpu time spent up to now is 29.8 secs Computing kpt #: 187 total cpu time spent up to now is 30.0 secs Computing kpt #: 188 total cpu time spent up to now is 30.2 secs Computing kpt #: 189 total cpu time spent up to now is 30.4 secs Computing kpt #: 190 total cpu time spent up to now is 30.6 secs Computing kpt #: 191 total cpu time spent up to now is 30.8 secs Computing kpt #: 192 total cpu time spent up to now is 31.0 secs Computing kpt #: 193 total cpu time spent up to now is 31.2 secs Computing kpt #: 194 total cpu time spent up to now is 31.4 secs Computing kpt #: 195 total cpu time spent up to now is 31.6 secs Computing kpt #: 196 total cpu time spent up to now is 31.8 secs Computing kpt #: 197 total cpu time spent up to now is 31.9 secs Computing kpt #: 198 total cpu time spent up to now is 32.1 secs Computing kpt #: 199 total cpu time spent up to now is 32.3 secs Computing kpt #: 200 total cpu time spent up to now is 32.4 secs Computing kpt #: 201 total cpu time spent up to now is 32.6 secs Computing kpt #: 202 total cpu time spent up to now is 32.7 secs Computing kpt #: 203 total cpu time spent up to now is 32.9 secs Computing kpt #: 204 total cpu time spent up to now is 33.0 secs Computing kpt #: 205 total cpu time spent up to now is 33.2 secs Computing kpt #: 206 total cpu time spent up to now is 33.3 secs Computing kpt #: 207 total cpu time spent up to now is 33.5 secs Computing kpt #: 208 total cpu time spent up to now is 33.6 secs Computing kpt #: 209 total cpu time spent up to now is 33.8 secs Computing kpt #: 210 total cpu time spent up to now is 34.0 secs Computing kpt #: 211 total cpu time spent up to now is 34.1 secs Computing kpt #: 212 total cpu time spent up to now is 34.3 secs Computing kpt #: 213 total cpu time spent up to now is 34.4 secs Computing kpt #: 214 total cpu time spent up to now is 34.6 secs Computing kpt #: 215 total cpu time spent up to now is 34.7 secs Computing kpt #: 216 total cpu time spent up to now is 34.9 secs Computing kpt #: 217 total cpu time spent up to now is 35.0 secs Computing kpt #: 218 total cpu time spent up to now is 35.2 secs Computing kpt #: 219 total cpu time spent up to now is 35.3 secs Computing kpt #: 220 total cpu time spent up to now is 35.5 secs Computing kpt #: 221 total cpu time spent up to now is 35.6 secs Computing kpt #: 222 total cpu time spent up to now is 35.8 secs Computing kpt #: 223 total cpu time spent up to now is 35.9 secs Computing kpt #: 224 total cpu time spent up to now is 36.1 secs Computing kpt #: 225 total cpu time spent up to now is 36.3 secs Computing kpt #: 226 total cpu time spent up to now is 36.4 secs Computing kpt #: 227 total cpu time spent up to now is 36.6 secs Computing kpt #: 228 total cpu time spent up to now is 36.7 secs Computing kpt #: 229 total cpu time spent up to now is 36.9 secs Computing kpt #: 230 total cpu time spent up to now is 37.0 secs Computing kpt #: 231 total cpu time spent up to now is 37.2 secs Computing kpt #: 232 total cpu time spent up to now is 37.3 secs Computing kpt #: 233 total cpu time spent up to now is 37.5 secs Computing kpt #: 234 total cpu time spent up to now is 37.6 secs Computing kpt #: 235 total cpu time spent up to now is 37.8 secs Computing kpt #: 236 total cpu time spent up to now is 38.0 secs Computing kpt #: 237 total cpu time spent up to now is 38.1 secs Computing kpt #: 238 total cpu time spent up to now is 38.2 secs Computing kpt #: 239 total cpu time spent up to now is 38.4 secs Computing kpt #: 240 total cpu time spent up to now is 38.5 secs Computing kpt #: 241 total cpu time spent up to now is 38.7 secs Computing kpt #: 242 total cpu time spent up to now is 38.8 secs Computing kpt #: 243 total cpu time spent up to now is 39.0 secs Computing kpt #: 244 total cpu time spent up to now is 39.1 secs Computing kpt #: 245 total cpu time spent up to now is 39.2 secs Computing kpt #: 246 total cpu time spent up to now is 39.4 secs Computing kpt #: 247 total cpu time spent up to now is 39.5 secs Computing kpt #: 248 total cpu time spent up to now is 39.6 secs Computing kpt #: 249 total cpu time spent up to now is 39.8 secs Computing kpt #: 250 total cpu time spent up to now is 39.9 secs Computing kpt #: 251 total cpu time spent up to now is 40.1 secs Computing kpt #: 252 total cpu time spent up to now is 40.2 secs Computing kpt #: 253 total cpu time spent up to now is 40.3 secs Computing kpt #: 254 total cpu time spent up to now is 40.5 secs Computing kpt #: 255 total cpu time spent up to now is 40.6 secs Computing kpt #: 256 total cpu time spent up to now is 40.8 secs Computing kpt #: 257 total cpu time spent up to now is 40.9 secs Computing kpt #: 258 total cpu time spent up to now is 41.1 secs Computing kpt #: 259 total cpu time spent up to now is 41.2 secs Computing kpt #: 260 total cpu time spent up to now is 41.3 secs Computing kpt #: 261 total cpu time spent up to now is 41.5 secs Computing kpt #: 262 total cpu time spent up to now is 41.6 secs Computing kpt #: 263 total cpu time spent up to now is 41.8 secs Computing kpt #: 264 total cpu time spent up to now is 41.9 secs Computing kpt #: 265 total cpu time spent up to now is 42.1 secs Computing kpt #: 266 total cpu time spent up to now is 42.3 secs Computing kpt #: 267 total cpu time spent up to now is 42.4 secs Computing kpt #: 268 total cpu time spent up to now is 42.6 secs Computing kpt #: 269 total cpu time spent up to now is 42.7 secs Computing kpt #: 270 total cpu time spent up to now is 42.9 secs Computing kpt #: 271 total cpu time spent up to now is 43.0 secs Computing kpt #: 272 total cpu time spent up to now is 43.2 secs Computing kpt #: 273 total cpu time spent up to now is 43.3 secs Computing kpt #: 274 total cpu time spent up to now is 43.5 secs Computing kpt #: 275 total cpu time spent up to now is 43.6 secs Computing kpt #: 276 total cpu time spent up to now is 43.7 secs Computing kpt #: 277 total cpu time spent up to now is 43.9 secs Computing kpt #: 278 total cpu time spent up to now is 44.0 secs Computing kpt #: 279 total cpu time spent up to now is 44.2 secs Computing kpt #: 280 total cpu time spent up to now is 44.3 secs Computing kpt #: 281 total cpu time spent up to now is 44.5 secs Computing kpt #: 282 total cpu time spent up to now is 44.6 secs Computing kpt #: 283 total cpu time spent up to now is 44.8 secs Computing kpt #: 284 total cpu time spent up to now is 44.9 secs Computing kpt #: 285 total cpu time spent up to now is 45.1 secs Computing kpt #: 286 total cpu time spent up to now is 45.2 secs Computing kpt #: 287 total cpu time spent up to now is 45.4 secs Computing kpt #: 288 total cpu time spent up to now is 45.5 secs Computing kpt #: 289 total cpu time spent up to now is 45.7 secs Computing kpt #: 290 total cpu time spent up to now is 45.9 secs Computing kpt #: 291 total cpu time spent up to now is 46.0 secs Computing kpt #: 292 total cpu time spent up to now is 46.2 secs Computing kpt #: 293 total cpu time spent up to now is 46.3 secs Computing kpt #: 294 total cpu time spent up to now is 46.4 secs Computing kpt #: 295 total cpu time spent up to now is 46.6 secs Computing kpt #: 296 total cpu time spent up to now is 46.7 secs Computing kpt #: 297 total cpu time spent up to now is 46.9 secs Computing kpt #: 298 total cpu time spent up to now is 47.0 secs Computing kpt #: 299 total cpu time spent up to now is 47.1 secs Computing kpt #: 300 total cpu time spent up to now is 47.3 secs Computing kpt #: 301 total cpu time spent up to now is 47.4 secs Computing kpt #: 302 total cpu time spent up to now is 47.6 secs Computing kpt #: 303 total cpu time spent up to now is 47.7 secs Computing kpt #: 304 total cpu time spent up to now is 47.8 secs Computing kpt #: 305 total cpu time spent up to now is 48.0 secs Computing kpt #: 306 total cpu time spent up to now is 48.1 secs Computing kpt #: 307 total cpu time spent up to now is 48.3 secs Computing kpt #: 308 total cpu time spent up to now is 48.4 secs Computing kpt #: 309 total cpu time spent up to now is 48.6 secs Computing kpt #: 310 total cpu time spent up to now is 48.7 secs Computing kpt #: 311 total cpu time spent up to now is 48.9 secs Computing kpt #: 312 total cpu time spent up to now is 49.0 secs Computing kpt #: 313 total cpu time spent up to now is 49.2 secs Computing kpt #: 314 total cpu time spent up to now is 49.3 secs Computing kpt #: 315 total cpu time spent up to now is 49.4 secs Computing kpt #: 316 total cpu time spent up to now is 49.6 secs Computing kpt #: 317 total cpu time spent up to now is 49.7 secs Computing kpt #: 318 total cpu time spent up to now is 49.9 secs Computing kpt #: 319 total cpu time spent up to now is 50.0 secs Computing kpt #: 320 total cpu time spent up to now is 50.1 secs Computing kpt #: 321 total cpu time spent up to now is 50.3 secs Computing kpt #: 322 total cpu time spent up to now is 50.4 secs Computing kpt #: 323 total cpu time spent up to now is 50.6 secs Computing kpt #: 324 total cpu time spent up to now is 50.7 secs Computing kpt #: 325 total cpu time spent up to now is 50.8 secs Computing kpt #: 326 total cpu time spent up to now is 51.0 secs Computing kpt #: 327 total cpu time spent up to now is 51.1 secs Computing kpt #: 328 total cpu time spent up to now is 51.2 secs Computing kpt #: 329 total cpu time spent up to now is 51.4 secs Computing kpt #: 330 total cpu time spent up to now is 51.5 secs Computing kpt #: 331 total cpu time spent up to now is 51.6 secs Computing kpt #: 332 total cpu time spent up to now is 51.8 secs Computing kpt #: 333 total cpu time spent up to now is 51.9 secs Computing kpt #: 334 total cpu time spent up to now is 52.1 secs Computing kpt #: 335 total cpu time spent up to now is 52.2 secs Computing kpt #: 336 total cpu time spent up to now is 52.3 secs Computing kpt #: 337 total cpu time spent up to now is 52.5 secs Computing kpt #: 338 total cpu time spent up to now is 52.6 secs Computing kpt #: 339 total cpu time spent up to now is 52.7 secs Computing kpt #: 340 total cpu time spent up to now is 52.9 secs Computing kpt #: 341 total cpu time spent up to now is 53.0 secs Computing kpt #: 342 total cpu time spent up to now is 53.1 secs Computing kpt #: 343 total cpu time spent up to now is 53.3 secs Computing kpt #: 344 total cpu time spent up to now is 53.4 secs Computing kpt #: 345 total cpu time spent up to now is 53.6 secs Computing kpt #: 346 total cpu time spent up to now is 53.7 secs Computing kpt #: 347 total cpu time spent up to now is 53.8 secs Computing kpt #: 348 total cpu time spent up to now is 54.0 secs Computing kpt #: 349 total cpu time spent up to now is 54.1 secs Computing kpt #: 350 total cpu time spent up to now is 54.3 secs Computing kpt #: 351 total cpu time spent up to now is 54.4 secs Computing kpt #: 352 total cpu time spent up to now is 54.5 secs Computing kpt #: 353 total cpu time spent up to now is 54.7 secs Computing kpt #: 354 total cpu time spent up to now is 54.8 secs Computing kpt #: 355 total cpu time spent up to now is 55.0 secs Computing kpt #: 356 total cpu time spent up to now is 55.1 secs Computing kpt #: 357 total cpu time spent up to now is 55.2 secs Computing kpt #: 358 total cpu time spent up to now is 55.4 secs Computing kpt #: 359 total cpu time spent up to now is 55.5 secs Computing kpt #: 360 total cpu time spent up to now is 55.7 secs Computing kpt #: 361 total cpu time spent up to now is 55.8 secs Computing kpt #: 362 total cpu time spent up to now is 55.9 secs Computing kpt #: 363 total cpu time spent up to now is 56.1 secs Computing kpt #: 364 total cpu time spent up to now is 56.2 secs Computing kpt #: 365 total cpu time spent up to now is 56.4 secs Computing kpt #: 366 total cpu time spent up to now is 56.5 secs Computing kpt #: 367 total cpu time spent up to now is 56.7 secs Computing kpt #: 368 total cpu time spent up to now is 56.8 secs Computing kpt #: 369 total cpu time spent up to now is 56.9 secs Computing kpt #: 370 total cpu time spent up to now is 57.1 secs Computing kpt #: 371 total cpu time spent up to now is 57.2 secs Computing kpt #: 372 total cpu time spent up to now is 57.4 secs Computing kpt #: 373 total cpu time spent up to now is 57.5 secs Computing kpt #: 374 total cpu time spent up to now is 57.7 secs Computing kpt #: 375 total cpu time spent up to now is 57.8 secs Computing kpt #: 376 total cpu time spent up to now is 58.0 secs Computing kpt #: 377 total cpu time spent up to now is 58.1 secs Computing kpt #: 378 total cpu time spent up to now is 58.3 secs Computing kpt #: 379 total cpu time spent up to now is 58.4 secs Computing kpt #: 380 total cpu time spent up to now is 58.5 secs Computing kpt #: 381 total cpu time spent up to now is 58.7 secs Computing kpt #: 382 total cpu time spent up to now is 58.8 secs Computing kpt #: 383 total cpu time spent up to now is 59.0 secs Computing kpt #: 384 total cpu time spent up to now is 59.1 secs Computing kpt #: 385 total cpu time spent up to now is 59.3 secs Computing kpt #: 386 total cpu time spent up to now is 59.4 secs Computing kpt #: 387 total cpu time spent up to now is 59.5 secs Computing kpt #: 388 total cpu time spent up to now is 59.7 secs Computing kpt #: 389 total cpu time spent up to now is 59.8 secs Computing kpt #: 390 total cpu time spent up to now is 60.0 secs Computing kpt #: 391 total cpu time spent up to now is 60.1 secs Computing kpt #: 392 total cpu time spent up to now is 60.3 secs Computing kpt #: 393 total cpu time spent up to now is 60.4 secs Computing kpt #: 394 total cpu time spent up to now is 60.5 secs Computing kpt #: 395 total cpu time spent up to now is 60.7 secs Computing kpt #: 396 total cpu time spent up to now is 60.8 secs Computing kpt #: 397 total cpu time spent up to now is 61.0 secs Computing kpt #: 398 total cpu time spent up to now is 61.1 secs Computing kpt #: 399 total cpu time spent up to now is 61.3 secs Computing kpt #: 400 total cpu time spent up to now is 61.4 secs Computing kpt #: 401 total cpu time spent up to now is 61.6 secs Computing kpt #: 402 total cpu time spent up to now is 61.7 secs Computing kpt #: 403 total cpu time spent up to now is 61.9 secs Computing kpt #: 404 total cpu time spent up to now is 62.0 secs Computing kpt #: 405 total cpu time spent up to now is 62.2 secs Computing kpt #: 406 total cpu time spent up to now is 62.3 secs Computing kpt #: 407 total cpu time spent up to now is 62.5 secs Computing kpt #: 408 total cpu time spent up to now is 62.6 secs Computing kpt #: 409 total cpu time spent up to now is 62.8 secs Computing kpt #: 410 total cpu time spent up to now is 62.9 secs Computing kpt #: 411 total cpu time spent up to now is 63.1 secs Computing kpt #: 412 total cpu time spent up to now is 63.3 secs Computing kpt #: 413 total cpu time spent up to now is 63.4 secs Computing kpt #: 414 total cpu time spent up to now is 63.6 secs Computing kpt #: 415 total cpu time spent up to now is 63.7 secs Computing kpt #: 416 total cpu time spent up to now is 63.9 secs Computing kpt #: 417 total cpu time spent up to now is 64.0 secs Computing kpt #: 418 total cpu time spent up to now is 64.2 secs Computing kpt #: 419 total cpu time spent up to now is 64.3 secs Computing kpt #: 420 total cpu time spent up to now is 64.4 secs Computing kpt #: 421 total cpu time spent up to now is 64.6 secs Computing kpt #: 422 total cpu time spent up to now is 64.7 secs Computing kpt #: 423 total cpu time spent up to now is 64.9 secs Computing kpt #: 424 total cpu time spent up to now is 65.0 secs Computing kpt #: 425 total cpu time spent up to now is 65.1 secs Computing kpt #: 426 total cpu time spent up to now is 65.3 secs Computing kpt #: 427 total cpu time spent up to now is 65.4 secs Computing kpt #: 428 total cpu time spent up to now is 65.6 secs Computing kpt #: 429 total cpu time spent up to now is 65.7 secs Computing kpt #: 430 total cpu time spent up to now is 65.8 secs Computing kpt #: 431 total cpu time spent up to now is 66.0 secs Computing kpt #: 432 total cpu time spent up to now is 66.1 secs Computing kpt #: 433 total cpu time spent up to now is 66.2 secs Computing kpt #: 434 total cpu time spent up to now is 66.4 secs Computing kpt #: 435 total cpu time spent up to now is 66.5 secs Computing kpt #: 436 total cpu time spent up to now is 66.7 secs ethr = 4.55E-08, avg # of iterations = 16.3 total cpu time spent up to now is 66.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1557 PWs) bands (ev): -24.8459 -24.8459 -14.1399 -14.1399 -7.4514 -7.4514 -6.3126 -6.3126 -6.2910 -6.2910 -4.9014 -4.9014 1.7403 1.7403 4.2566 4.2566 4.3157 4.3157 8.0182 8.0182 8.0408 8.0408 12.6144 12.6144 13.5334 13.5334 16.1553 16.1553 16.3486 16.3486 k = 0.0000 0.0000 0.0130 ( 1557 PWs) bands (ev): -24.8458 -24.8458 -14.1402 -14.1402 -7.4514 -7.4514 -6.3125 -6.3125 -6.2910 -6.2910 -4.9016 -4.9016 1.7406 1.7406 4.2551 4.2551 4.3142 4.3142 8.0184 8.0184 8.0411 8.0411 12.6174 12.6174 13.5371 13.5371 16.1558 16.1558 16.3483 16.3483 k = 0.0000 0.0000 0.0261 ( 1553 PWs) bands (ev): -24.8455 -24.8455 -14.1411 -14.1411 -7.4512 -7.4512 -6.3123 -6.3123 -6.2910 -6.2910 -4.9020 -4.9020 1.7417 1.7417 4.2503 4.2503 4.3101 4.3101 8.0182 8.0182 8.0427 8.0427 12.6264 12.6264 13.5483 13.5483 16.1570 16.1570 16.3474 16.3474 k = 0.0000 0.0000 0.0391 ( 1549 PWs) bands (ev): -24.8449 -24.8449 -14.1426 -14.1426 -7.4510 -7.4510 -6.3121 -6.3121 -6.2909 -6.2909 -4.9028 -4.9028 1.7435 1.7435 4.2412 4.2412 4.3044 4.3044 8.0159 8.0159 8.0473 8.0473 12.6412 12.6412 13.5668 13.5668 16.1590 16.1590 16.3459 16.3459 k = 0.0000 0.0000 0.0522 ( 1545 PWs) bands (ev): -24.8441 -24.8441 -14.1447 -14.1447 -7.4506 -7.4506 -6.3121 -6.3121 -6.2904 -6.2904 -4.9038 -4.9038 1.7460 1.7460 4.2267 4.2267 4.2984 4.2984 8.0108 8.0108 8.0556 8.0556 12.6620 12.6620 13.5924 13.5924 16.1618 16.1618 16.3439 16.3439 k = 0.0000 0.0000 0.0652 ( 1545 PWs) bands (ev): -24.8431 -24.8431 -14.1474 -14.1474 -7.4503 -7.4503 -6.3126 -6.3126 -6.2894 -6.2894 -4.9050 -4.9050 1.7492 1.7492 4.2063 4.2063 4.2932 4.2932 8.0030 8.0030 8.0674 8.0674 12.6886 12.6886 13.6247 13.6247 16.1654 16.1654 16.3413 16.3413 k = 0.0000 0.0000 0.0783 ( 1545 PWs) bands (ev): -24.8419 -24.8419 -14.1506 -14.1506 -7.4499 -7.4499 -6.3138 -6.3138 -6.2877 -6.2877 -4.9065 -4.9065 1.7531 1.7531 4.1800 4.1800 4.2887 4.2887 7.9930 7.9930 8.0824 8.0824 12.7211 12.7211 13.6634 13.6634 16.1698 16.1698 16.3381 16.3381 k = 0.0000 0.0000 0.0913 ( 1541 PWs) bands (ev): -24.8405 -24.8405 -14.1543 -14.1543 -7.4496 -7.4496 -6.3159 -6.3159 -6.2852 -6.2852 -4.9081 -4.9081 1.7576 1.7576 4.1485 4.1485 4.2849 4.2849 7.9809 7.9809 8.1002 8.1002 12.7593 12.7593 13.7080 13.7080 16.1750 16.1750 16.3344 16.3344 k = 0.0000 0.0000 0.1044 ( 1539 PWs) bands (ev): -24.8389 -24.8389 -14.1584 -14.1584 -7.4493 -7.4493 -6.3187 -6.3187 -6.2820 -6.2820 -4.9100 -4.9100 1.7629 1.7629 4.1124 4.1124 4.2815 4.2815 7.9669 7.9669 8.1206 8.1206 12.8033 12.8033 13.7580 13.7580 16.1810 16.1810 16.3302 16.3302 k = 0.0000 0.0000 0.1174 ( 1539 PWs) bands (ev): -24.8370 -24.8370 -14.1630 -14.1630 -7.4492 -7.4492 -6.3222 -6.3222 -6.2784 -6.2784 -4.9119 -4.9119 1.7689 1.7689 4.0726 4.0726 4.2783 4.2783 7.9510 7.9510 8.1436 8.1436 12.8528 12.8528 13.8128 13.8128 16.1878 16.1878 16.3255 16.3255 k = 0.0000 0.0000 0.1305 ( 1537 PWs) bands (ev): -24.8350 -24.8350 -14.1680 -14.1680 -7.4493 -7.4493 -6.3263 -6.3263 -6.2743 -6.2743 -4.9138 -4.9138 1.7755 1.7755 4.0295 4.0295 4.2752 4.2752 7.9335 7.9335 8.1688 8.1688 12.9079 12.9079 13.8719 13.8719 16.1954 16.1954 16.3202 16.3202 k = 0.0000 0.0000 0.1435 ( 1537 PWs) bands (ev): -24.8328 -24.8328 -14.1733 -14.1733 -7.4496 -7.4496 -6.3311 -6.3311 -6.2700 -6.2700 -4.9158 -4.9158 1.7828 1.7828 3.9838 3.9838 4.2722 4.2722 7.9143 7.9143 8.1963 8.1963 12.9685 12.9685 13.9346 13.9346 16.2039 16.2039 16.3145 16.3145 k = 0.0000 0.0000 0.1566 ( 1541 PWs) bands (ev): -24.8304 -24.8304 -14.1789 -14.1789 -7.4502 -7.4502 -6.3365 -6.3365 -6.2656 -6.2656 -4.9177 -4.9177 1.7907 1.7907 3.9360 3.9360 4.2692 4.2692 7.8935 7.8935 8.2258 8.2258 13.0344 13.0344 14.0005 14.0005 16.2132 16.2132 16.3083 16.3083 k = 0.0000 0.0000 0.1696 ( 1537 PWs) bands (ev): -24.8278 -24.8278 -14.1848 -14.1848 -7.4511 -7.4511 -6.3424 -6.3424 -6.2613 -6.2613 -4.9194 -4.9194 1.7993 1.7993 3.8869 3.8869 4.2663 4.2663 7.8712 7.8712 8.2570 8.2570 13.1055 13.1055 14.0689 14.0689 16.2234 16.2234 16.3017 16.3017 k = 0.0000 0.0000 0.1826 ( 1541 PWs) bands (ev): -24.8251 -24.8251 -14.1908 -14.1908 -7.4525 -7.4525 -6.3489 -6.3489 -6.2572 -6.2572 -4.9210 -4.9210 1.8085 1.8085 3.8368 3.8368 4.2635 4.2635 7.8475 7.8475 8.2900 8.2900 13.1818 13.1818 14.1392 14.1392 16.2345 16.2345 16.2947 16.2947 k = 0.0000 0.0000 0.1957 ( 1543 PWs) bands (ev): -24.8222 -24.8222 -14.1970 -14.1970 -7.4543 -7.4543 -6.3559 -6.3559 -6.2534 -6.2534 -4.9224 -4.9224 1.8184 1.8184 3.7863 3.7863 4.2607 4.2607 7.8225 7.8225 8.3244 8.3244 13.2631 13.2631 14.2111 14.2111 16.2465 16.2465 16.2874 16.2874 k = 0.0000 0.0000 0.2087 ( 1539 PWs) bands (ev): -24.8192 -24.8192 -14.2032 -14.2032 -7.4565 -7.4565 -6.3634 -6.3634 -6.2501 -6.2501 -4.9235 -4.9235 1.8289 1.8289 3.7360 3.7360 4.2581 4.2581 7.7963 7.7963 8.3601 8.3601 13.3492 13.3492 14.2840 14.2840 16.2593 16.2593 16.2800 16.2800 k = 0.0000 0.0000 0.2218 ( 1539 PWs) bands (ev): -24.8160 -24.8160 -14.2095 -14.2095 -7.4593 -7.4593 -6.3714 -6.3714 -6.2475 -6.2475 -4.9242 -4.9242 1.8400 1.8400 3.6864 3.6864 4.2555 4.2555 7.7689 7.7689 8.3967 8.3967 13.4401 13.4401 14.3574 14.3574 16.2691 16.2691 16.2762 16.2762 k = 0.0000 0.0000 0.2348 ( 1535 PWs) bands (ev): -24.8126 -24.8126 -14.2157 -14.2157 -7.4627 -7.4627 -6.3800 -6.3800 -6.2456 -6.2456 -4.9245 -4.9245 1.8518 1.8518 3.6379 3.6379 4.2532 4.2532 7.7405 7.7405 8.4343 8.4343 13.5357 13.5357 14.4311 14.4311 16.2626 16.2626 16.2894 16.2894 k = 0.0000 0.0000 0.2479 ( 1531 PWs) bands (ev): -24.8092 -24.8092 -14.2218 -14.2218 -7.4666 -7.4666 -6.3890 -6.3890 -6.2446 -6.2446 -4.9244 -4.9244 1.8643 1.8643 3.5909 3.5909 4.2510 4.2510 7.7111 7.7111 8.4723 8.4723 13.6357 13.6357 14.5048 14.5048 16.2543 16.2543 16.3053 16.3053 k = 0.0000 0.0000 0.2609 ( 1531 PWs) bands (ev): -24.8057 -24.8057 -14.2278 -14.2278 -7.4712 -7.4712 -6.3985 -6.3985 -6.2447 -6.2447 -4.9238 -4.9238 1.8774 1.8774 3.5458 3.5458 4.2491 4.2491 7.6808 7.6808 8.5107 8.5107 13.7400 13.7400 14.5780 14.5780 16.2456 16.2456 16.3225 16.3225 k = 0.0000 0.0000 0.2740 ( 1527 PWs) bands (ev): -24.8020 -24.8020 -14.2335 -14.2335 -7.4763 -7.4763 -6.4085 -6.4085 -6.2460 -6.2460 -4.9226 -4.9226 1.8912 1.8912 3.5031 3.5031 4.2474 4.2474 7.6497 7.6497 8.5492 8.5492 13.8486 13.8486 14.6507 14.6507 16.2369 16.2369 16.3406 16.3406 k = 0.0000 0.0000 0.2870 ( 1525 PWs) bands (ev): -24.7983 -24.7983 -14.2390 -14.2390 -7.4822 -7.4822 -6.4190 -6.4190 -6.2485 -6.2485 -4.9209 -4.9209 1.9057 1.9057 3.4630 3.4630 4.2459 4.2459 7.6180 7.6180 8.5874 8.5874 13.9611 13.9611 14.7227 14.7227 16.2281 16.2281 16.3595 16.3595 k = 0.0000 0.0000 0.3001 ( 1520 PWs) bands (ev): -24.7945 -24.7945 -14.2443 -14.2443 -7.4887 -7.4887 -6.4300 -6.4300 -6.2526 -6.2526 -4.9186 -4.9186 1.9209 1.9209 3.4258 3.4258 4.2447 4.2447 7.5856 7.5856 8.6253 8.6253 14.0776 14.0776 14.7938 14.7938 16.2192 16.2192 16.3789 16.3789 k = 0.0000 0.0000 0.3131 ( 1520 PWs) bands (ev): -24.7906 -24.7906 -14.2491 -14.2491 -7.4958 -7.4958 -6.4414 -6.4414 -6.2581 -6.2581 -4.9156 -4.9156 1.9368 1.9368 3.3918 3.3918 4.2438 4.2438 7.5528 7.5528 8.6624 8.6624 14.1978 14.1978 14.8639 14.8639 16.2104 16.2104 16.3963 16.3963 k = 0.0000 0.0000 0.3262 ( 1512 PWs) bands (ev): -24.7866 -24.7866 -14.2536 -14.2536 -7.5037 -7.5037 -6.4532 -6.4532 -6.2653 -6.2653 -4.9120 -4.9120 1.9535 1.9535 3.3611 3.3611 4.2433 4.2433 7.5196 7.5196 8.6986 8.6986 14.3215 14.3215 14.9330 14.9330 16.2018 16.2018 16.3959 16.3959 k = 0.0000 0.0000 0.3392 ( 1516 PWs) bands (ev): -24.7826 -24.7826 -14.2577 -14.2577 -7.5121 -7.5121 -6.4655 -6.4655 -6.2741 -6.2741 -4.9078 -4.9078 1.9710 1.9710 3.3340 3.3340 4.2430 4.2430 7.4860 7.4860 8.7336 8.7336 14.4487 14.4487 15.0010 15.0010 16.1933 16.1933 16.3663 16.3663 k = 0.0000 0.0000 0.3522 ( 1512 PWs) bands (ev): -24.7786 -24.7786 -14.2613 -14.2613 -7.5213 -7.5213 -6.4781 -6.4781 -6.2846 -6.2846 -4.9029 -4.9029 1.9892 1.9892 3.3105 3.3105 4.2430 4.2430 7.4522 7.4522 8.7671 8.7671 14.5790 14.5790 15.0678 15.0678 16.1848 16.1848 16.3332 16.3332 k = 0.0000 0.0000 0.3653 ( 1514 PWs) bands (ev): -24.7746 -24.7746 -14.2645 -14.2645 -7.5310 -7.5310 -6.4911 -6.4911 -6.2969 -6.2969 -4.8974 -4.8974 2.0083 2.0083 3.2908 3.2908 4.2434 4.2434 7.4183 7.4183 8.7990 8.7990 14.7124 14.7124 15.1335 15.1335 16.1762 16.1762 16.3032 16.3032 k = 0.0000 0.0000 0.3783 ( 1516 PWs) bands (ev): -24.7705 -24.7705 -14.2671 -14.2671 -7.5414 -7.5414 -6.5045 -6.5045 -6.3109 -6.3109 -4.8912 -4.8912 2.0281 2.0281 3.2749 3.2749 4.2442 4.2442 7.3844 7.3844 8.8291 8.8291 14.8487 14.8487 15.1981 15.1981 16.1670 16.1670 16.2780 16.2780 k = 0.0000 0.0000 0.3914 ( 1516 PWs) bands (ev): -24.7665 -24.7665 -14.2692 -14.2692 -7.5524 -7.5524 -6.5182 -6.5182 -6.3265 -6.3265 -4.8845 -4.8845 2.0488 2.0488 3.2628 3.2628 4.2452 4.2452 7.3505 7.3505 8.8571 8.8571 14.9876 14.9876 15.2614 15.2614 16.1566 16.1566 16.2588 16.2588 k = 0.0000 0.0000 0.4044 ( 1520 PWs) bands (ev): -24.7624 -24.7624 -14.2708 -14.2708 -7.5640 -7.5640 -6.5321 -6.5321 -6.3439 -6.3439 -4.8771 -4.8771 2.0702 2.0702 3.2546 3.2546 4.2466 4.2466 7.3167 7.3167 8.8830 8.8830 15.1291 15.1291 15.3236 15.3236 16.1444 16.1444 16.2463 16.2463 k = 0.0000 0.0000 0.4175 ( 1520 PWs) bands (ev): -24.7584 -24.7584 -14.2718 -14.2718 -7.5762 -7.5762 -6.5464 -6.5464 -6.3628 -6.3628 -4.8692 -4.8692 2.0923 2.0923 3.2501 3.2501 4.2483 4.2483 7.2831 7.2831 8.9065 8.9065 15.2727 15.2727 15.3846 15.3846 16.1306 16.1306 16.2407 16.2407 k = 0.0000 0.0000 0.4305 ( 1520 PWs) bands (ev): -24.7544 -24.7544 -14.2722 -14.2722 -7.5888 -7.5888 -6.5609 -6.5609 -6.3831 -6.3831 -4.8608 -4.8608 2.1150 2.1150 3.2495 3.2495 4.2503 4.2503 7.2499 7.2499 8.9276 8.9276 15.4183 15.4183 15.4446 15.4446 16.1158 16.1158 16.2417 16.2417 k = 0.0000 0.0000 0.4436 ( 1520 PWs) bands (ev): -24.7505 -24.7505 -14.2721 -14.2721 -7.6020 -7.6020 -6.5757 -6.5757 -6.4048 -6.4048 -4.8519 -4.8519 2.1384 2.1384 3.2525 3.2525 4.2526 4.2526 7.2170 7.2170 8.9461 8.9461 15.5027 15.5027 15.5664 15.5664 16.1008 16.1008 16.2484 16.2484 k = 0.0000 0.0000 0.4566 ( 1520 PWs) bands (ev): -24.7466 -24.7466 -14.2714 -14.2714 -7.6157 -7.6157 -6.5907 -6.5907 -6.4277 -6.4277 -4.8426 -4.8426 2.1622 2.1622 3.2591 3.2591 4.2552 4.2552 7.1845 7.1845 8.9621 8.9621 15.5600 15.5600 15.7155 15.7155 16.0860 16.0860 16.2604 16.2604 k = 0.0000 0.0000 0.4697 ( 1510 PWs) bands (ev): -24.7427 -24.7427 -14.2702 -14.2702 -7.6298 -7.6298 -6.6060 -6.6060 -6.4515 -6.4515 -4.8329 -4.8329 2.1864 2.1864 3.2692 3.2692 4.2581 4.2581 7.1526 7.1526 8.9755 8.9755 15.6160 15.6160 15.8657 15.8657 16.0721 16.0721 16.2772 16.2772 k = 0.0000 0.0000 0.4827 ( 1514 PWs) bands (ev): -24.7389 -24.7389 -14.2684 -14.2684 -7.6444 -7.6444 -6.6215 -6.6215 -6.4761 -6.4761 -4.8229 -4.8229 2.2109 2.2109 3.2826 3.2826 4.2612 4.2612 7.1212 7.1212 8.9863 8.9863 15.6705 15.6705 16.0131 16.0131 16.0627 16.0627 16.2975 16.2975 k = 0.0000 0.0000 0.4958 ( 1510 PWs) bands (ev): -24.7352 -24.7352 -14.2662 -14.2662 -7.6593 -7.6593 -6.6373 -6.6373 -6.5012 -6.5012 -4.8125 -4.8125 2.2355 2.2355 3.2993 3.2993 4.2645 4.2645 7.0905 7.0905 8.9947 8.9947 15.7235 15.7235 16.0420 16.0420 16.1728 16.1728 16.3131 16.3132 k = 0.0000 0.0000 0.5088 ( 1510 PWs) bands (ev): -24.7316 -24.7316 -14.2634 -14.2634 -7.6746 -7.6746 -6.6535 -6.6535 -6.5265 -6.5265 -4.8020 -4.8020 2.2600 2.2600 3.3191 3.3191 4.2680 4.2680 7.0605 7.0605 9.0006 9.0006 15.7749 15.7749 16.0305 16.0305 16.3050 16.3050 16.3252 16.3252 k = 0.0000 0.0000 0.5218 ( 1510 PWs) bands (ev): -24.7281 -24.7281 -14.2602 -14.2602 -7.6902 -7.6902 -6.6701 -6.6701 -6.5517 -6.5517 -4.7913 -4.7913 2.2844 2.2844 3.3416 3.3416 4.2717 4.2717 7.0312 7.0312 9.0042 9.0042 15.8245 15.8245 16.0191 16.0191 16.2998 16.2998 16.3955 16.3955 k = 0.0000 0.0000 0.5349 ( 1506 PWs) bands (ev): -24.7247 -24.7247 -14.2566 -14.2566 -7.7060 -7.7060 -6.6874 -6.6874 -6.5764 -6.5764 -4.7804 -4.7804 2.3084 2.3084 3.3669 3.3669 4.2756 4.2756 7.0029 7.0029 9.0056 9.0056 15.8719 15.8719 16.0083 16.0083 16.2910 16.2910 16.4370 16.4370 k = 0.0000 0.0000 0.5479 ( 1498 PWs) bands (ev): -24.7213 -24.7213 -14.2526 -14.2526 -7.7221 -7.7221 -6.7053 -6.7053 -6.6002 -6.6002 -4.7695 -4.7695 2.3320 2.3320 3.3945 3.3945 4.2796 4.2796 6.9753 6.9753 9.0050 9.0050 15.9162 15.9162 15.9991 15.9991 16.2826 16.2826 16.4815 16.4815 k = 0.0000 0.0000 0.5610 ( 1504 PWs) bands (ev): -24.7181 -24.7181 -14.2482 -14.2482 -7.7383 -7.7383 -6.7241 -6.7241 -6.6229 -6.6229 -4.7587 -4.7587 2.3550 2.3550 3.4242 3.4242 4.2836 4.2836 6.9488 6.9488 9.0024 9.0024 15.9534 15.9534 15.9950 15.9950 16.2748 16.2748 16.5293 16.5293 k = 0.0000 0.0000 0.5740 ( 1500 PWs) bands (ev): -24.7150 -24.7150 -14.2436 -14.2436 -7.7546 -7.7546 -6.7438 -6.7438 -6.6440 -6.6440 -4.7479 -4.7479 2.3773 2.3773 3.4558 3.4558 4.2878 4.2878 6.9232 6.9232 8.9983 8.9983 15.9657 15.9657 16.0137 16.0137 16.2676 16.2676 16.5802 16.5802 k = 0.0000 0.0000 0.5871 ( 1500 PWs) bands (ev): -24.7121 -24.7121 -14.2387 -14.2387 -7.7710 -7.7710 -6.7644 -6.7644 -6.6634 -6.6634 -4.7372 -4.7372 2.3989 2.3989 3.4890 3.4890 4.2919 4.2919 6.8987 6.8987 8.9927 8.9927 15.9605 15.9605 16.0476 16.0476 16.2610 16.2610 16.6338 16.6338 k = 0.0000 0.0000 0.6001 ( 1506 PWs) bands (ev): -24.7093 -24.7093 -14.2336 -14.2336 -7.7872 -7.7872 -6.7857 -6.7857 -6.6811 -6.6811 -4.7267 -4.7267 2.4195 2.4195 3.5232 3.5232 4.2961 4.2961 6.8752 6.8752 8.9858 8.9858 15.9527 15.9527 16.0812 16.0812 16.2551 16.2551 16.6896 16.6896 k = 0.0000 0.0000 0.6132 ( 1506 PWs) bands (ev): -24.7066 -24.7066 -14.2284 -14.2284 -7.8034 -7.8034 -6.8074 -6.8074 -6.6971 -6.6971 -4.7164 -4.7164 2.4392 2.4392 3.5584 3.5584 4.3002 4.3002 6.8529 6.8529 8.9779 8.9779 15.9446 15.9446 16.1121 16.1121 16.2499 16.2499 16.7470 16.7470 k = 0.0000 0.0000 0.6262 ( 1504 PWs) bands (ev): -24.7040 -24.7040 -14.2231 -14.2231 -7.8193 -7.8193 -6.8291 -6.8291 -6.7117 -6.7117 -4.7065 -4.7065 2.4579 2.4579 3.5939 3.5939 4.3043 4.3043 6.8317 6.8317 8.9692 8.9692 15.9367 15.9367 16.1394 16.1394 16.2452 16.2452 16.8056 16.8056 k = 0.0000 0.0000 0.6393 ( 1504 PWs) bands (ev): -24.7016 -24.7016 -14.2178 -14.2178 -7.8349 -7.8349 -6.8505 -6.8505 -6.7249 -6.7249 -4.6969 -4.6969 2.4754 2.4754 3.6296 3.6296 4.3084 4.3084 6.8117 6.8117 8.9599 8.9599 15.9292 15.9292 16.1627 16.1627 16.2413 16.2413 16.8646 16.8646 k = 0.0000 0.0000 0.6523 ( 1508 PWs) bands (ev): -24.6994 -24.6994 -14.2125 -14.2125 -7.8501 -7.8501 -6.8713 -6.8713 -6.7369 -6.7369 -4.6877 -4.6877 2.4919 2.4919 3.6648 3.6648 4.3123 4.3123 6.7930 6.7930 8.9502 8.9502 15.9220 15.9220 16.1816 16.1816 16.2381 16.2381 16.9236 16.9236 k = 0.0000 0.0000 0.6654 ( 1508 PWs) bands (ev): -24.6972 -24.6972 -14.2073 -14.2073 -7.8648 -7.8648 -6.8912 -6.8912 -6.7478 -6.7478 -4.6789 -4.6789 2.5072 2.5072 3.6994 3.6994 4.3160 4.3160 6.7755 6.7755 8.9403 8.9403 15.9154 15.9154 16.1960 16.1960 16.2360 16.2360 16.9818 16.9818 k = 0.0000 0.0000 0.6784 ( 1508 PWs) bands (ev): -24.6953 -24.6953 -14.2023 -14.2023 -7.8789 -7.8789 -6.9101 -6.9101 -6.7577 -6.7577 -4.6707 -4.6707 2.5214 2.5214 3.7329 3.7329 4.3197 4.3197 6.7593 6.7593 8.9304 8.9304 15.9092 15.9092 16.2056 16.2056 16.2354 16.2354 17.0386 17.0386 k = 0.0000 0.0000 0.6914 ( 1508 PWs) bands (ev): -24.6935 -24.6935 -14.1974 -14.1974 -7.8922 -7.8922 -6.9278 -6.9278 -6.7667 -6.7667 -4.6630 -4.6630 2.5343 2.5343 3.7649 3.7649 4.3231 4.3231 6.7444 6.7444 8.9207 8.9207 15.9035 15.9035 16.2104 16.2104 16.2361 16.2361 17.0934 17.0934 k = 0.0000 0.0000 0.7045 ( 1508 PWs) bands (ev): -24.6919 -24.6919 -14.1929 -14.1929 -7.9047 -7.9047 -6.9440 -6.9440 -6.7747 -6.7747 -4.6560 -4.6560 2.5461 2.5461 3.7951 3.7951 4.3263 4.3263 6.7309 6.7309 8.9114 8.9114 15.8983 15.8983 16.2119 16.2119 16.2375 16.2375 17.1454 17.1454 k = 0.0000 0.0000 0.7175 ( 1508 PWs) bands (ev): -24.6904 -24.6904 -14.1886 -14.1886 -7.9162 -7.9162 -6.9588 -6.9588 -6.7819 -6.7819 -4.6495 -4.6495 2.5567 2.5567 3.8230 3.8230 4.3293 4.3293 6.7188 6.7188 8.9027 8.9027 15.8937 15.8937 16.2116 16.2116 16.2384 16.2384 17.1942 17.1942 k = 0.0000 0.0000 0.7306 ( 1500 PWs) bands (ev): -24.6891 -24.6891 -14.1848 -14.1848 -7.9266 -7.9266 -6.9720 -6.9720 -6.7882 -6.7882 -4.6437 -4.6437 2.5660 2.5660 3.8485 3.8485 4.3320 4.3320 6.7080 6.7080 8.8946 8.8946 15.8896 15.8896 16.2104 16.2104 16.2383 16.2383 17.2389 17.2389 k = 0.0000 0.0000 0.7436 ( 1500 PWs) bands (ev): -24.6880 -24.6880 -14.1813 -14.1813 -7.9359 -7.9359 -6.9835 -6.9835 -6.7937 -6.7937 -4.6387 -4.6387 2.5741 2.5741 3.8712 3.8712 4.3344 4.3344 6.6986 6.6986 8.8873 8.8873 15.8860 15.8860 16.2090 16.2090 16.2372 16.2372 17.2791 17.2791 k = 0.0000 0.0000 0.7567 ( 1500 PWs) bands (ev): -24.6871 -24.6871 -14.1783 -14.1783 -7.9439 -7.9439 -6.9934 -6.9934 -6.7983 -6.7983 -4.6343 -4.6343 2.5809 2.5809 3.8909 3.8909 4.3365 4.3365 6.6907 6.6907 8.8810 8.8810 15.8830 15.8830 16.2074 16.2074 16.2356 16.2356 17.3142 17.3142 k = 0.0000 0.0000 0.7697 ( 1500 PWs) bands (ev): -24.6863 -24.6863 -14.1758 -14.1758 -7.9506 -7.9506 -7.0015 -7.0015 -6.8021 -6.8021 -4.6308 -4.6308 2.5865 2.5865 3.9072 3.9072 4.3382 4.3382 6.6842 6.6842 8.8756 8.8756 15.8805 15.8805 16.2059 16.2059 16.2337 16.2337 17.3437 17.3437 k = 0.0000 0.0000 0.7828 ( 1504 PWs) bands (ev): -24.6857 -24.6857 -14.1738 -14.1738 -7.9558 -7.9558 -7.0078 -7.0078 -6.8051 -6.8051 -4.6279 -4.6279 2.5909 2.5909 3.9202 3.9202 4.3396 4.3396 6.6791 6.6791 8.8714 8.8714 15.8785 15.8785 16.2045 16.2045 16.2320 16.2320 17.3671 17.3671 k = 0.0000 0.0000 0.7958 ( 1510 PWs) bands (ev): -24.6852 -24.6852 -14.1724 -14.1724 -7.9596 -7.9596 -7.0124 -7.0124 -6.8072 -6.8072 -4.6259 -4.6259 2.5940 2.5940 3.9295 3.9295 4.3406 4.3406 6.6754 6.6754 8.8682 8.8682 15.8771 15.8771 16.2034 16.2034 16.2306 16.2306 17.3840 17.3840 k = 0.0000 0.0000 0.8089 ( 1510 PWs) bands (ev): -24.6850 -24.6850 -14.1715 -14.1715 -7.9619 -7.9619 -7.0151 -7.0151 -6.8084 -6.8084 -4.6247 -4.6247 2.5959 2.5959 3.9352 3.9352 4.3412 4.3412 6.6733 6.6733 8.8664 8.8664 15.8763 15.8763 16.2026 16.2026 16.2297 16.2297 17.3943 17.3943 k = 0.0000 0.0000 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1713 -14.1713 -7.9627 -7.9627 -7.0160 -7.0160 -6.8088 -6.8088 -4.6243 -4.6243 2.5965 2.5965 3.9370 3.9370 4.3414 4.3414 6.6725 6.6725 8.8657 8.8657 15.8760 15.8760 16.2024 16.2024 16.2294 16.2294 17.3978 17.3978 k = 0.0000 0.0000 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1713 -14.1713 -7.9627 -7.9627 -7.0160 -7.0160 -6.8088 -6.8088 -4.6243 -4.6243 2.5965 2.5965 3.9370 3.9370 4.3414 4.3414 6.6725 6.6725 8.8657 8.8657 15.8760 15.8760 16.2024 16.2024 16.2294 16.2294 17.3978 17.3978 k =-0.0077 0.0101 0.8219 ( 1510 PWs) bands (ev): -24.6850 -24.6850 -14.1715 -14.1715 -7.9623 -7.9623 -7.0153 -7.0153 -6.8090 -6.8090 -4.6241 -4.6241 2.5967 2.5967 3.9370 3.9370 4.3391 4.3391 6.6746 6.6746 8.8660 8.8660 15.8751 15.8751 16.2028 16.2028 16.2306 16.2306 17.3979 17.3979 k =-0.0155 0.0202 0.8219 ( 1510 PWs) bands (ev): -24.6851 -24.6851 -14.1722 -14.1722 -7.9610 -7.9610 -7.0133 -7.0133 -6.8096 -6.8096 -4.6235 -4.6235 2.5974 2.5974 3.9367 3.9367 4.3323 4.3323 6.6808 6.6808 8.8667 8.8667 15.8722 15.8722 16.2026 16.2026 16.2355 16.2355 17.3981 17.3981 k =-0.0232 0.0303 0.8219 ( 1510 PWs) bands (ev): -24.6854 -24.6854 -14.1734 -14.1734 -7.9589 -7.9589 -7.0099 -7.0099 -6.8106 -6.8106 -4.6224 -4.6224 2.5986 2.5986 3.9363 3.9363 4.3209 4.3209 6.6911 6.6911 8.8680 8.8680 15.8673 15.8673 16.1996 16.1996 16.2463 16.2463 17.3984 17.3984 k =-0.0309 0.0403 0.8219 ( 1510 PWs) bands (ev): -24.6857 -24.6857 -14.1751 -14.1751 -7.9561 -7.9561 -7.0053 -7.0053 -6.8117 -6.8117 -4.6210 -4.6210 2.6002 2.6002 3.9357 3.9357 4.3052 4.3052 6.7056 6.7056 8.8697 8.8697 15.8604 15.8604 16.1934 16.1934 16.2633 16.2633 17.3989 17.3989 k =-0.0387 0.0504 0.8219 ( 1510 PWs) bands (ev): -24.6862 -24.6862 -14.1772 -14.1772 -7.9524 -7.9524 -6.9996 -6.9996 -6.8131 -6.8131 -4.6191 -4.6191 2.6022 2.6022 3.9350 3.9350 4.2853 4.2853 6.7240 6.7240 8.8719 8.8719 15.8513 15.8513 16.1846 16.1846 16.2858 16.2858 17.3996 17.3996 k =-0.0464 0.0605 0.8219 ( 1508 PWs) bands (ev): -24.6867 -24.6867 -14.1798 -14.1798 -7.9481 -7.9481 -6.9930 -6.9930 -6.8143 -6.8143 -4.6168 -4.6168 2.6047 2.6047 3.9341 3.9341 4.2614 4.2614 6.7465 6.7465 8.8746 8.8746 15.8401 15.8401 16.1737 16.1737 16.3131 16.3131 17.4004 17.4004 k =-0.0541 0.0706 0.8219 ( 1504 PWs) bands (ev): -24.6874 -24.6874 -14.1827 -14.1827 -7.9432 -7.9432 -6.9858 -6.9858 -6.8153 -6.8153 -4.6140 -4.6140 2.6076 2.6076 3.9331 3.9331 4.2338 4.2338 6.7729 6.7729 8.8778 8.8778 15.8265 15.8265 16.1611 16.1611 16.3445 16.3445 17.4013 17.4013 k =-0.0618 0.0807 0.8219 ( 1504 PWs) bands (ev): -24.6881 -24.6881 -14.1859 -14.1859 -7.9377 -7.9377 -6.9783 -6.9783 -6.8156 -6.8156 -4.6108 -4.6108 2.6110 2.6110 3.9318 3.9318 4.2027 4.2027 6.8031 6.8031 8.8814 8.8814 15.8103 15.8103 16.1473 16.1473 16.3794 16.3794 17.4024 17.4024 k =-0.0696 0.0908 0.8219 ( 1504 PWs) bands (ev): -24.6890 -24.6890 -14.1895 -14.1895 -7.9317 -7.9317 -6.9710 -6.9710 -6.8148 -6.8148 -4.6071 -4.6071 2.6148 2.6148 3.9303 3.9303 4.1686 4.1686 6.8371 6.8371 8.8855 8.8855 15.7916 15.7916 16.1326 16.1326 16.4171 16.4171 17.4036 17.4036 k =-0.0773 0.1009 0.8219 ( 1510 PWs) bands (ev): -24.6899 -24.6899 -14.1934 -14.1934 -7.9253 -7.9253 -6.9644 -6.9644 -6.8124 -6.8124 -4.6030 -4.6030 2.6190 2.6190 3.9285 3.9285 4.1319 4.1319 6.8747 6.8747 8.8900 8.8900 15.7700 15.7700 16.1174 16.1174 16.4570 16.4570 17.4040 17.4040 k =-0.0850 0.1109 0.8219 ( 1514 PWs) bands (ev): -24.6910 -24.6910 -14.1975 -14.1975 -7.9187 -7.9187 -6.9591 -6.9591 -6.8078 -6.8078 -4.5983 -4.5983 2.6236 2.6236 3.9263 3.9263 4.0931 4.0931 6.9158 6.9158 8.8950 8.8950 15.7457 15.7457 16.1018 16.1018 16.4981 16.4981 17.3562 17.3562 k =-0.0928 0.1210 0.8219 ( 1514 PWs) bands (ev): -24.6922 -24.6922 -14.2018 -14.2018 -7.9118 -7.9118 -6.9557 -6.9557 -6.8006 -6.8006 -4.5932 -4.5932 2.6285 2.6285 3.9232 3.9232 4.0529 4.0529 6.9604 6.9604 8.9004 8.9004 15.7185 15.7185 16.0863 16.0863 16.5398 16.5398 17.2302 17.2302 k =-0.1005 0.1311 0.8219 ( 1516 PWs) bands (ev): -24.6934 -24.6934 -14.2062 -14.2062 -7.9049 -7.9049 -6.9543 -6.9543 -6.7905 -6.7905 -4.5876 -4.5876 2.6339 2.6339 3.9182 3.9182 4.0129 4.0129 7.0082 7.0082 8.9061 8.9061 15.6885 15.6885 16.0710 16.0710 16.5810 16.5810 17.0982 17.0982 k =-0.1082 0.1412 0.8219 ( 1520 PWs) bands (ev): -24.6948 -24.6948 -14.2107 -14.2107 -7.8980 -7.8980 -6.9550 -6.9550 -6.7777 -6.7777 -4.5815 -4.5815 2.6396 2.6396 3.9081 3.9081 3.9766 3.9766 7.0591 7.0591 8.9123 8.9123 15.6558 15.6558 16.0561 16.0561 16.6209 16.6209 16.9625 16.9625 k =-0.1160 0.1513 0.8219 ( 1524 PWs) bands (ev): -24.6962 -24.6962 -14.2152 -14.2152 -7.8912 -7.8912 -6.9575 -6.9575 -6.7623 -6.7623 -4.5748 -4.5748 2.6457 2.6457 3.8857 3.8857 3.9518 3.9518 7.1130 7.1130 8.9189 8.9189 15.6205 15.6205 16.0417 16.0417 16.6582 16.6582 16.8239 16.8239 k =-0.1237 0.1614 0.8219 ( 1520 PWs) bands (ev): -24.6977 -24.6977 -14.2197 -14.2197 -7.8846 -7.8846 -6.9615 -6.9615 -6.7449 -6.7449 -4.5677 -4.5677 2.6521 2.6521 3.8496 3.8496 3.9401 3.9401 7.1697 7.1697 8.9258 8.9258 15.5828 15.5828 16.0279 16.0279 16.6721 16.6721 16.7027 16.7027 k =-0.1314 0.1714 0.8219 ( 1524 PWs) bands (ev): -24.6994 -24.6994 -14.2242 -14.2242 -7.8783 -7.8783 -6.9666 -6.9666 -6.7257 -6.7257 -4.5600 -4.5600 2.6589 2.6589 3.8072 3.8072 3.9347 3.9347 7.2290 7.2290 8.9330 8.9330 15.5431 15.5431 16.0147 16.0147 16.5352 16.5352 16.7260 16.7260 k =-0.1391 0.1815 0.8219 ( 1516 PWs) bands (ev): -24.7011 -24.7011 -14.2285 -14.2285 -7.8725 -7.8725 -6.9726 -6.9726 -6.7052 -6.7052 -4.5519 -4.5519 2.6659 2.6659 3.7628 3.7628 3.9316 3.9316 7.2907 7.2907 8.9406 8.9406 15.5016 15.5016 16.0021 16.0021 16.3892 16.3892 16.7516 16.7516 k =-0.1469 0.1916 0.8219 ( 1512 PWs) bands (ev): -24.7028 -24.7028 -14.2326 -14.2326 -7.8672 -7.8672 -6.9790 -6.9790 -6.6837 -6.6837 -4.5432 -4.5432 2.6733 2.6733 3.7181 3.7181 3.9295 3.9295 7.3547 7.3547 8.9485 8.9485 15.4585 15.4585 15.9899 15.9899 16.2416 16.2416 16.7721 16.7721 k =-0.1469 0.1916 0.8219 ( 1512 PWs) bands (ev): -24.7028 -24.7028 -14.2326 -14.2326 -7.8672 -7.8672 -6.9790 -6.9790 -6.6837 -6.6837 -4.5432 -4.5432 2.6733 2.6733 3.7181 3.7181 3.9295 3.9295 7.3547 7.3547 8.9485 8.9485 15.4585 15.4585 15.9899 15.9899 16.2416 16.2416 16.7721 16.7721 k =-0.1524 0.1988 0.8128 ( 1508 PWs) bands (ev): -24.7042 -24.7042 -14.2356 -14.2356 -7.8635 -7.8635 -6.9834 -6.9834 -6.6677 -6.6677 -4.5369 -4.5369 2.6785 2.6785 3.6863 3.6863 3.9276 3.9276 7.4018 7.4018 8.9545 8.9545 15.4269 15.4269 15.9807 15.9807 16.1360 16.1360 16.7843 16.7843 k =-0.1579 0.2060 0.8038 ( 1510 PWs) bands (ev): -24.7057 -24.7057 -14.2387 -14.2387 -7.8595 -7.8595 -6.9871 -6.9871 -6.6512 -6.6512 -4.5308 -4.5308 2.6832 2.6832 3.6546 3.6546 3.9240 3.9240 7.4504 7.4504 8.9611 8.9611 15.3944 15.3944 15.9669 15.9669 16.0344 16.0344 16.7958 16.7958 k =-0.1634 0.2132 0.7947 ( 1514 PWs) bands (ev): -24.7072 -24.7072 -14.2420 -14.2420 -7.8553 -7.8553 -6.9900 -6.9900 -6.6342 -6.6342 -4.5248 -4.5248 2.6875 2.6875 3.6233 3.6233 3.9188 3.9188 7.5004 7.5004 8.9682 8.9682 15.3612 15.3612 15.9065 15.9065 15.9796 15.9796 16.8063 16.8063 k =-0.1689 0.2204 0.7856 ( 1515 PWs) bands (ev): -24.7088 -24.7088 -14.2454 -14.2454 -7.8510 -7.8510 -6.9920 -6.9920 -6.6167 -6.6167 -4.5190 -4.5190 2.6914 2.6914 3.5924 3.5924 3.9119 3.9119 7.5515 7.5515 8.9758 8.9758 15.3273 15.3273 15.8042 15.8042 15.9674 15.9674 16.8157 16.8157 k =-0.1745 0.2276 0.7766 ( 1517 PWs) bands (ev): -24.7104 -24.7104 -14.2489 -14.2489 -7.8466 -7.8466 -6.9930 -6.9930 -6.5990 -6.5990 -4.5134 -4.5134 2.6949 2.6949 3.5622 3.5622 3.9033 3.9033 7.6038 7.6038 8.9839 8.9839 15.2927 15.2927 15.6986 15.6986 15.9598 15.9598 16.8240 16.8240 k =-0.1800 0.2348 0.7675 ( 1519 PWs) bands (ev): -24.7121 -24.7121 -14.2526 -14.2526 -7.8422 -7.8422 -6.9932 -6.9932 -6.5812 -6.5812 -4.5080 -4.5080 2.6980 2.6980 3.5327 3.5327 3.8932 3.8932 7.6570 7.6570 8.9923 8.9923 15.2575 15.2575 15.5935 15.5935 15.9533 15.9533 16.8312 16.8312 k =-0.1855 0.2420 0.7584 ( 1519 PWs) bands (ev): -24.7139 -24.7139 -14.2563 -14.2563 -7.8378 -7.8378 -6.9923 -6.9923 -6.5633 -6.5633 -4.5028 -4.5028 2.7007 2.7007 3.5041 3.5041 3.8814 3.8814 7.7109 7.7109 9.0010 9.0010 15.2218 15.2218 15.4898 15.4898 15.9476 15.9476 16.8371 16.8371 k =-0.1910 0.2492 0.7494 ( 1521 PWs) bands (ev): -24.7157 -24.7157 -14.2600 -14.2600 -7.8335 -7.8335 -6.9905 -6.9905 -6.5454 -6.5454 -4.4977 -4.4977 2.7030 2.7030 3.4765 3.4765 3.8681 3.8681 7.7655 7.7655 9.0099 9.0099 15.1856 15.1856 15.3881 15.3881 15.9425 15.9425 16.8418 16.8418 k =-0.1965 0.2564 0.7403 ( 1517 PWs) bands (ev): -24.7175 -24.7175 -14.2638 -14.2638 -7.8295 -7.8295 -6.9876 -6.9876 -6.5277 -6.5277 -4.4929 -4.4929 2.7049 2.7049 3.4499 3.4499 3.8534 3.8534 7.8206 7.8206 9.0190 9.0190 15.1489 15.1489 15.2888 15.2888 15.9379 15.9379 16.8452 16.8452 k =-0.2020 0.2636 0.7312 ( 1521 PWs) bands (ev): -24.7193 -24.7193 -14.2676 -14.2676 -7.8256 -7.8256 -6.9837 -6.9837 -6.5103 -6.5103 -4.4882 -4.4882 2.7065 2.7065 3.4245 3.4245 3.8373 3.8373 7.8760 7.8760 9.0282 9.0282 15.1117 15.1117 15.1923 15.1923 15.9338 15.9338 16.8473 16.8473 k =-0.2076 0.2708 0.7221 ( 1523 PWs) bands (ev): -24.7211 -24.7211 -14.2714 -14.2714 -7.8220 -7.8220 -6.9789 -6.9789 -6.4932 -6.4932 -4.4837 -4.4837 2.7077 2.7077 3.4004 3.4004 3.8201 3.8201 7.9314 7.9314 9.0374 9.0374 15.0722 15.0722 15.1009 15.1009 15.9302 15.9302 16.8482 16.8482 k =-0.2131 0.2780 0.7131 ( 1521 PWs) bands (ev): -24.7229 -24.7229 -14.2752 -14.2752 -7.8187 -7.8187 -6.9731 -6.9731 -6.4765 -6.4765 -4.4795 -4.4795 2.7087 2.7087 3.3776 3.3776 3.8016 3.8016 7.9868 7.9868 9.0465 9.0465 15.0035 15.0035 15.0419 15.0419 15.9271 15.9271 16.8478 16.8478 k =-0.2186 0.2852 0.7040 ( 1517 PWs) bands (ev): -24.7247 -24.7247 -14.2789 -14.2789 -7.8157 -7.8157 -6.9664 -6.9664 -6.4603 -6.4603 -4.4754 -4.4754 2.7093 2.7093 3.3562 3.3562 3.7823 3.7823 8.0420 8.0420 9.0554 9.0554 14.9175 14.9175 15.0036 15.0036 15.9244 15.9244 16.8462 16.8462 k =-0.2241 0.2924 0.6949 ( 1513 PWs) bands (ev): -24.7264 -24.7264 -14.2826 -14.2826 -7.8130 -7.8130 -6.9589 -6.9589 -6.4447 -6.4447 -4.4716 -4.4716 2.7096 2.7096 3.3363 3.3363 3.7620 3.7620 8.0967 8.0967 9.0641 9.0641 14.8340 14.8340 14.9668 14.9668 15.9222 15.9222 16.8435 16.8435 k =-0.2296 0.2996 0.6859 ( 1513 PWs) bands (ev): -24.7282 -24.7282 -14.2862 -14.2862 -7.8107 -7.8107 -6.9507 -6.9507 -6.4298 -6.4298 -4.4679 -4.4679 2.7098 2.7098 3.3178 3.3178 3.7411 3.7411 8.1507 8.1507 9.0725 9.0725 14.7539 14.7539 14.9305 14.9305 15.9205 15.9205 16.8398 16.8399 k =-0.2352 0.3068 0.6768 ( 1513 PWs) bands (ev): -24.7298 -24.7298 -14.2897 -14.2897 -7.8087 -7.8087 -6.9419 -6.9419 -6.4156 -6.4156 -4.4645 -4.4645 2.7097 2.7097 3.3008 3.3008 3.7196 3.7196 8.2039 8.2039 9.0804 9.0804 14.6777 14.6777 14.8950 14.8950 15.9192 15.9192 16.8353 16.8353 k =-0.2407 0.3140 0.6677 ( 1519 PWs) bands (ev): -24.7315 -24.7315 -14.2931 -14.2931 -7.8070 -7.8070 -6.9325 -6.9325 -6.4021 -6.4021 -4.4612 -4.4612 2.7094 2.7094 3.2854 3.2854 3.6978 3.6978 8.2559 8.2559 9.0878 9.0878 14.6055 14.6055 14.8602 14.8602 15.9182 15.9182 16.8301 16.8301 k =-0.2462 0.3212 0.6587 ( 1519 PWs) bands (ev): -24.7330 -24.7330 -14.2964 -14.2964 -7.8057 -7.8057 -6.9228 -6.9228 -6.3895 -6.3895 -4.4582 -4.4582 2.7090 2.7090 3.2715 3.2715 3.6758 3.6758 8.3066 8.3066 9.0946 9.0946 14.5374 14.5374 14.8264 14.8264 15.9177 15.9177 16.8244 16.8244 k =-0.2517 0.3284 0.6496 ( 1519 PWs) bands (ev): -24.7345 -24.7345 -14.2995 -14.2995 -7.8046 -7.8046 -6.9129 -6.9129 -6.3777 -6.3777 -4.4554 -4.4554 2.7085 2.7085 3.2591 3.2591 3.6538 3.6538 8.3557 8.3557 9.1008 9.1008 14.4736 14.4736 14.7937 14.7937 15.9175 15.9175 16.8183 16.8183 k =-0.2572 0.3356 0.6405 ( 1517 PWs) bands (ev): -24.7359 -24.7359 -14.3024 -14.3024 -7.8037 -7.8037 -6.9029 -6.9029 -6.3668 -6.3668 -4.4528 -4.4528 2.7079 2.7079 3.2482 3.2482 3.6320 3.6320 8.4030 8.4030 9.1063 9.1063 14.4142 14.4142 14.7624 14.7624 15.9177 15.9177 16.8120 16.8120 k =-0.2627 0.3428 0.6314 ( 1518 PWs) bands (ev): -24.7373 -24.7373 -14.3052 -14.3052 -7.8031 -7.8031 -6.8929 -6.8929 -6.3568 -6.3568 -4.4504 -4.4504 2.7073 2.7073 3.2388 3.2388 3.6106 3.6106 8.4482 8.4482 9.1109 9.1109 14.3593 14.3593 14.7327 14.7327 15.9181 15.9181 16.8056 16.8056 k =-0.2683 0.3500 0.6224 ( 1518 PWs) bands (ev): -24.7385 -24.7385 -14.3078 -14.3078 -7.8026 -7.8026 -6.8832 -6.8832 -6.3477 -6.3477 -4.4482 -4.4482 2.7067 2.7067 3.2308 3.2308 3.5899 3.5899 8.4911 8.4911 9.1148 9.1148 14.3089 14.3089 14.7046 14.7046 15.9187 15.9187 16.7993 16.7993 k =-0.2738 0.3572 0.6133 ( 1520 PWs) bands (ev): -24.7397 -24.7397 -14.3102 -14.3102 -7.8023 -7.8023 -6.8738 -6.8738 -6.3395 -6.3395 -4.4462 -4.4462 2.7061 2.7061 3.2241 3.2241 3.5700 3.5700 8.5313 8.5313 9.1178 9.1178 14.2631 14.2631 14.6785 14.6785 15.9195 15.9195 16.7932 16.7932 k =-0.2793 0.3644 0.6042 ( 1516 PWs) bands (ev): -24.7407 -24.7407 -14.3123 -14.3123 -7.8022 -7.8022 -6.8649 -6.8649 -6.3322 -6.3322 -4.4444 -4.4444 2.7055 2.7055 3.2187 3.2187 3.5512 3.5512 8.5687 8.5687 9.1200 9.1200 14.2220 14.2220 14.6545 14.6545 15.9205 15.9205 16.7875 16.7875 k =-0.2848 0.3716 0.5952 ( 1512 PWs) bands (ev): -24.7416 -24.7416 -14.3142 -14.3142 -7.8021 -7.8021 -6.8566 -6.8566 -6.3259 -6.3259 -4.4428 -4.4428 2.7050 2.7050 3.2145 3.2145 3.5338 3.5338 8.6029 8.6029 9.1215 9.1215 14.1856 14.1856 14.6329 14.6329 15.9215 15.9215 16.7822 16.7822 k =-0.2903 0.3788 0.5861 ( 1511 PWs) bands (ev): -24.7424 -24.7424 -14.3159 -14.3159 -7.8021 -7.8021 -6.8492 -6.8492 -6.3204 -6.3204 -4.4415 -4.4415 2.7046 2.7046 3.2112 3.2112 3.5179 3.5179 8.6335 8.6335 9.1222 9.1222 14.1540 14.1540 14.6137 14.6137 15.9225 15.9225 16.7774 16.7774 k =-0.2958 0.3860 0.5770 ( 1515 PWs) bands (ev): -24.7431 -24.7431 -14.3174 -14.3174 -7.8021 -7.8021 -6.8427 -6.8427 -6.3158 -6.3158 -4.4403 -4.4403 2.7042 2.7042 3.2088 3.2088 3.5039 3.5039 8.6603 8.6603 9.1224 9.1224 14.1272 14.1272 14.5972 14.5972 15.9235 15.9235 16.7732 16.7732 k =-0.3014 0.3932 0.5680 ( 1515 PWs) bands (ev): -24.7437 -24.7437 -14.3186 -14.3186 -7.8022 -7.8022 -6.8371 -6.8371 -6.3121 -6.3121 -4.4394 -4.4394 2.7039 2.7039 3.2072 3.2072 3.4920 3.4920 8.6828 8.6828 9.1221 9.1221 14.1052 14.1052 14.5835 14.5835 15.9244 15.9244 16.7696 16.7696 k =-0.3069 0.4004 0.5589 ( 1513 PWs) bands (ev): -24.7442 -24.7442 -14.3195 -14.3195 -7.8023 -7.8023 -6.8328 -6.8328 -6.3092 -6.3092 -4.4387 -4.4387 2.7036 2.7036 3.2061 3.2061 3.4824 3.4824 8.7008 8.7008 9.1217 9.1217 14.0881 14.0881 14.5727 14.5727 15.9251 15.9251 16.7669 16.7669 k =-0.3124 0.4076 0.5498 ( 1513 PWs) bands (ev): -24.7445 -24.7445 -14.3202 -14.3202 -7.8024 -7.8024 -6.8296 -6.8296 -6.3072 -6.3072 -4.4381 -4.4381 2.7035 2.7035 3.2055 3.2055 3.4754 3.4754 8.7139 8.7139 9.1212 9.1212 14.0759 14.0759 14.5649 14.5649 15.9257 15.9257 16.7648 16.7648 k =-0.3179 0.4148 0.5407 ( 1513 PWs) bands (ev): -24.7447 -24.7447 -14.3206 -14.3206 -7.8024 -7.8024 -6.8276 -6.8276 -6.3060 -6.3060 -4.4378 -4.4378 2.7033 2.7033 3.2052 3.2052 3.4711 3.4711 8.7219 8.7219 9.1208 9.1208 14.0685 14.0685 14.5602 14.5602 15.9260 15.9260 16.7636 16.7636 k =-0.3234 0.4220 0.5317 ( 1513 PWs) bands (ev): -24.7447 -24.7447 -14.3207 -14.3207 -7.8024 -7.8024 -6.8270 -6.8270 -6.3056 -6.3056 -4.4377 -4.4377 2.7033 2.7033 3.2051 3.2051 3.4697 3.4697 8.7246 8.7246 9.1206 9.1206 14.0661 14.0661 14.5586 14.5586 15.9261 15.9261 16.7632 16.7632 k =-0.3234 0.4220 0.5317 ( 1513 PWs) bands (ev): -24.7447 -24.7447 -14.3207 -14.3207 -7.8024 -7.8024 -6.8270 -6.8270 -6.3056 -6.3056 -4.4377 -4.4377 2.7033 2.7033 3.2051 3.2051 3.4697 3.4697 8.7246 8.7246 9.1206 9.1206 14.0661 14.0661 14.5586 14.5586 15.9261 15.9261 16.7632 16.7632 k =-0.3179 0.4147 0.5225 ( 1515 PWs) bands (ev): -24.7434 -24.7434 -14.3282 -14.3282 -7.7835 -7.7835 -6.8140 -6.8140 -6.3002 -6.3002 -4.4574 -4.4574 2.6740 2.6740 3.1867 3.1867 3.4504 3.4504 8.6961 8.6961 9.1066 9.1066 14.1840 14.1840 14.5638 14.5638 15.9129 15.9129 16.7756 16.7756 k =-0.3123 0.4074 0.5133 ( 1511 PWs) bands (ev): -24.7423 -24.7423 -14.3353 -14.3353 -7.7647 -7.7647 -6.8006 -6.8006 -6.2950 -6.2950 -4.4772 -4.4772 2.6442 2.6442 3.1702 3.1702 3.4324 3.4324 8.6675 8.6675 9.0918 9.0918 14.2993 14.2993 14.5701 14.5701 15.9026 15.9026 16.7801 16.7801 k =-0.3067 0.4001 0.5042 ( 1511 PWs) bands (ev): -24.7412 -24.7412 -14.3419 -14.3419 -7.7461 -7.7461 -6.7869 -6.7869 -6.2899 -6.2899 -4.4972 -4.4972 2.6142 2.6142 3.1555 3.1555 3.4159 3.4159 8.6388 8.6388 9.0762 9.0762 14.4111 14.4111 14.5779 14.5779 15.8950 15.8950 16.7776 16.7776 k =-0.3011 0.3929 0.4950 ( 1511 PWs) bands (ev): -24.7404 -24.7404 -14.3481 -14.3481 -7.7277 -7.7277 -6.7729 -6.7729 -6.2850 -6.2850 -4.5171 -4.5171 2.5843 2.5843 3.1426 3.1426 3.4009 3.4009 8.6101 8.6101 9.0598 9.0598 14.5189 14.5189 14.5872 14.5872 15.8898 15.8898 16.7692 16.7692 k =-0.2956 0.3856 0.4858 ( 1511 PWs) bands (ev): -24.7397 -24.7397 -14.3538 -14.3538 -7.7096 -7.7096 -6.7586 -6.7586 -6.2803 -6.2803 -4.5371 -4.5371 2.5544 2.5544 3.1315 3.1315 3.3875 3.3875 8.5815 8.5815 9.0425 9.0425 14.5975 14.5975 14.6227 14.6227 15.8870 15.8870 16.7559 16.7559 k =-0.2900 0.3783 0.4767 ( 1511 PWs) bands (ev): -24.7391 -24.7391 -14.3589 -14.3589 -7.6919 -7.6919 -6.7440 -6.7440 -6.2758 -6.2758 -4.5570 -4.5570 2.5249 2.5249 3.1220 3.1220 3.3758 3.3758 8.5531 8.5531 9.0244 9.0244 14.6107 14.6107 14.7199 14.7199 15.8863 15.8863 16.7387 16.7387 k =-0.2844 0.3710 0.4675 ( 1511 PWs) bands (ev): -24.7388 -24.7388 -14.3635 -14.3635 -7.6746 -7.6746 -6.7292 -6.7292 -6.2715 -6.2715 -4.5769 -4.5769 2.4958 2.4958 3.1141 3.1141 3.3658 3.3658 8.5248 8.5248 9.0055 9.0055 14.6255 14.6255 14.8113 14.8113 15.8875 15.8875 16.7182 16.7182 k =-0.2788 0.3638 0.4583 ( 1517 PWs) bands (ev): -24.7386 -24.7386 -14.3675 -14.3675 -7.6578 -7.6578 -6.7140 -6.7140 -6.2675 -6.2675 -4.5966 -4.5966 2.4671 2.4671 3.1080 3.1080 3.3576 3.3576 8.4968 8.4968 8.9859 8.9859 14.6423 14.6423 14.8958 14.8958 15.8904 15.8904 16.6949 16.6949 k =-0.2732 0.3565 0.4492 ( 1517 PWs) bands (ev): -24.7387 -24.7387 -14.3709 -14.3709 -7.6414 -7.6414 -6.6987 -6.6987 -6.2638 -6.2638 -4.6161 -4.6161 2.4391 2.4391 3.1034 3.1034 3.3512 3.3512 8.4692 8.4692 8.9655 8.9655 14.6613 14.6613 14.9727 14.9727 15.8949 15.8949 16.6689 16.6689 k =-0.2677 0.3492 0.4400 ( 1517 PWs) bands (ev): -24.7389 -24.7389 -14.3738 -14.3738 -7.6256 -7.6256 -6.6831 -6.6831 -6.2603 -6.2603 -4.6354 -4.6354 2.4116 2.4116 3.1006 3.1006 3.3467 3.3467 8.4420 8.4420 8.9444 8.9444 14.6826 14.6826 15.0414 15.0414 15.9008 15.9008 16.6407 16.6407 k =-0.2621 0.3419 0.4308 ( 1517 PWs) bands (ev): -24.7393 -24.7393 -14.3760 -14.3760 -7.6104 -7.6104 -6.6673 -6.6673 -6.2572 -6.2572 -4.6545 -4.6545 2.3848 2.3848 3.0994 3.0994 3.3440 3.3440 8.4153 8.4153 8.9225 8.9225 14.7062 14.7062 15.1014 15.1014 15.9080 15.9080 16.6105 16.6105 k =-0.2565 0.3347 0.4217 ( 1513 PWs) bands (ev): -24.7399 -24.7399 -14.3776 -14.3776 -7.5958 -7.5958 -6.6514 -6.6514 -6.2543 -6.2543 -4.6732 -4.6732 2.3587 2.3587 3.1000 3.1000 3.3433 3.3433 8.3891 8.3891 8.9001 8.9001 14.7323 14.7323 15.1522 15.1522 15.9162 15.9162 16.5786 16.5786 k =-0.2509 0.3274 0.4125 ( 1513 PWs) bands (ev): -24.7407 -24.7407 -14.3786 -14.3786 -7.5819 -7.5819 -6.6353 -6.6353 -6.2518 -6.2518 -4.6915 -4.6915 2.3333 2.3333 3.1023 3.1023 3.3445 3.3445 8.3635 8.3635 8.8770 8.8770 14.7608 14.7608 15.1932 15.1932 15.9255 15.9255 16.5451 16.5451 k =-0.2454 0.3201 0.4033 ( 1517 PWs) bands (ev): -24.7417 -24.7417 -14.3789 -14.3789 -7.5686 -7.5686 -6.6192 -6.6192 -6.2496 -6.2496 -4.7095 -4.7095 2.3086 2.3086 3.1065 3.1065 3.3477 3.3477 8.3385 8.3385 8.8533 8.8533 14.7918 14.7918 15.2242 15.2242 15.9354 15.9354 16.5105 16.5105 k =-0.2398 0.3128 0.3942 ( 1517 PWs) bands (ev): -24.7429 -24.7429 -14.3786 -14.3786 -7.5560 -7.5560 -6.6030 -6.6030 -6.2477 -6.2477 -4.7269 -4.7269 2.2846 2.2846 3.1125 3.1125 3.3528 3.3528 8.3143 8.3143 8.8291 8.8291 14.8252 14.8252 15.2450 15.2450 15.9462 15.9462 16.4747 16.4747 k =-0.2342 0.3056 0.3850 ( 1521 PWs) bands (ev): -24.7443 -24.7443 -14.3777 -14.3777 -7.5442 -7.5442 -6.5868 -6.5868 -6.2461 -6.2461 -4.7439 -4.7439 2.2612 2.2612 3.1204 3.1204 3.3598 3.3598 8.2908 8.2908 8.8044 8.8044 14.8612 14.8612 15.2555 15.2555 15.9577 15.9577 16.4378 16.4378 k =-0.2286 0.2983 0.3758 ( 1523 PWs) bands (ev): -24.7459 -24.7459 -14.3762 -14.3762 -7.5330 -7.5330 -6.5707 -6.5707 -6.2449 -6.2449 -4.7603 -4.7603 2.2384 2.2384 3.1302 3.1302 3.3687 3.3687 8.2681 8.2681 8.7793 8.7793 14.8997 14.8997 15.2555 15.2555 15.9696 15.9696 16.4000 16.4000 k =-0.2231 0.2910 0.3667 ( 1519 PWs) bands (ev): -24.7477 -24.7477 -14.3740 -14.3740 -7.5226 -7.5226 -6.5547 -6.5547 -6.2439 -6.2439 -4.7761 -4.7761 2.2163 2.2163 3.1419 3.1419 3.3796 3.3796 8.2463 8.2463 8.7538 8.7538 14.9407 14.9407 15.2452 15.2452 15.9819 15.9819 16.3611 16.3611 k =-0.2175 0.2837 0.3575 ( 1519 PWs) bands (ev): -24.7496 -24.7496 -14.3713 -14.3713 -7.5129 -7.5129 -6.5389 -6.5389 -6.2433 -6.2433 -4.7913 -4.7913 2.1947 2.1947 3.1556 3.1556 3.3922 3.3922 8.2254 8.2254 8.7279 8.7279 14.9842 14.9842 15.2249 15.2249 15.9946 15.9946 16.3211 16.3211 k =-0.2119 0.2765 0.3483 ( 1523 PWs) bands (ev): -24.7518 -24.7518 -14.3680 -14.3680 -7.5039 -7.5039 -6.5232 -6.5232 -6.2430 -6.2430 -4.8058 -4.8058 2.1738 2.1738 3.1714 3.1714 3.4068 3.4068 8.2054 8.2054 8.7018 8.7018 15.0301 15.0301 15.1948 15.1948 16.0074 16.0074 16.2797 16.2797 k =-0.2063 0.2692 0.3392 ( 1523 PWs) bands (ev): -24.7540 -24.7540 -14.3641 -14.3641 -7.4957 -7.4957 -6.5079 -6.5079 -6.2430 -6.2430 -4.8195 -4.8195 2.1533 2.1533 3.1891 3.1891 3.4230 3.4230 8.1863 8.1863 8.6755 8.6755 15.0783 15.0783 15.1554 15.1554 16.0203 16.0203 16.2368 16.2368 k =-0.2008 0.2619 0.3300 ( 1515 PWs) bands (ev): -24.7565 -24.7565 -14.3597 -14.3597 -7.4881 -7.4881 -6.4928 -6.4928 -6.2433 -6.2433 -4.8326 -4.8326 2.1334 2.1334 3.2088 3.2088 3.4411 3.4411 8.1683 8.1683 8.6491 8.6491 15.1051 15.1051 15.1309 15.1309 16.0327 16.0327 16.1922 16.1922 k =-0.1952 0.2546 0.3208 ( 1515 PWs) bands (ev): -24.7591 -24.7591 -14.3548 -14.3548 -7.4812 -7.4812 -6.4781 -6.4781 -6.2438 -6.2438 -4.8448 -4.8448 2.1139 2.1139 3.2305 3.2305 3.4607 3.4607 8.1513 8.1513 8.6225 8.6225 15.0495 15.0495 15.1829 15.1829 16.0437 16.0437 16.1463 16.1463 k =-0.1896 0.2474 0.3117 ( 1515 PWs) bands (ev): -24.7618 -24.7618 -14.3494 -14.3494 -7.4749 -7.4749 -6.4639 -6.4639 -6.2447 -6.2447 -4.8562 -4.8562 2.0949 2.0949 3.2541 3.2541 3.4820 3.4820 8.1353 8.1353 8.5959 8.5959 14.9851 14.9851 15.2382 15.2382 16.0470 16.0470 16.1046 16.1046 k =-0.1840 0.2401 0.3025 ( 1515 PWs) bands (ev): -24.7646 -24.7646 -14.3435 -14.3435 -7.4693 -7.4693 -6.4501 -6.4501 -6.2457 -6.2457 -4.8668 -4.8668 2.0763 2.0763 3.2796 3.2796 3.5047 3.5047 8.1204 8.1204 8.5693 8.5693 14.9137 14.9137 15.2957 15.2957 16.0180 16.0180 16.0909 16.0909 k =-0.1784 0.2328 0.2933 ( 1515 PWs) bands (ev): -24.7676 -24.7676 -14.3372 -14.3372 -7.4643 -7.4643 -6.4369 -6.4369 -6.2470 -6.2470 -4.8766 -4.8766 2.0582 2.0582 3.3070 3.3070 3.5289 3.5289 8.1065 8.1065 8.5428 8.5428 14.8361 14.8361 15.3555 15.3555 15.9622 15.9622 16.0986 16.0986 k =-0.1729 0.2255 0.2842 ( 1517 PWs) bands (ev): -24.7707 -24.7707 -14.3305 -14.3305 -7.4599 -7.4599 -6.4242 -6.4242 -6.2486 -6.2486 -4.8855 -4.8855 2.0405 2.0405 3.3362 3.3362 3.5544 3.5544 8.0937 8.0937 8.5164 8.5164 14.7529 14.7529 15.4173 15.4173 15.8963 15.8963 16.1104 16.1104 k =-0.1673 0.2183 0.2750 ( 1517 PWs) bands (ev): -24.7738 -24.7738 -14.3234 -14.3234 -7.4560 -7.4560 -6.4122 -6.4122 -6.2503 -6.2503 -4.8935 -4.8935 2.0232 2.0232 3.3671 3.3671 3.5812 3.5812 8.0819 8.0819 8.4903 8.4903 14.6650 14.6650 15.4811 15.4811 15.8227 15.8227 16.1232 16.1232 k =-0.1617 0.2110 0.2658 ( 1521 PWs) bands (ev): -24.7771 -24.7771 -14.3160 -14.3160 -7.4527 -7.4527 -6.4007 -6.4007 -6.2522 -6.2522 -4.9006 -4.9006 2.0063 2.0063 3.3996 3.3996 3.6090 3.6090 8.0711 8.0711 8.4644 8.4644 14.5732 14.5732 15.5468 15.5468 15.7417 15.7417 16.1363 16.1363 k =-0.1561 0.2037 0.2567 ( 1519 PWs) bands (ev): -24.7804 -24.7804 -14.3084 -14.3084 -7.4498 -7.4498 -6.3900 -6.3900 -6.2543 -6.2543 -4.9069 -4.9069 1.9898 1.9898 3.4336 3.4336 3.6379 3.6379 8.0614 8.0614 8.4388 8.4388 14.4781 14.4781 15.6143 15.6143 15.6537 15.6537 16.1494 16.1494 k =-0.1506 0.1964 0.2475 ( 1519 PWs) bands (ev): -24.7837 -24.7837 -14.3004 -14.3004 -7.4474 -7.4474 -6.3799 -6.3799 -6.2565 -6.2565 -4.9124 -4.9124 1.9738 1.9738 3.4690 3.4690 3.6677 3.6677 8.0527 8.0527 8.4136 8.4136 14.3806 14.3806 15.5593 15.5593 15.6836 15.6836 16.1625 16.1625 k =-0.1450 0.1892 0.2383 ( 1521 PWs) bands (ev): -24.7871 -24.7871 -14.2923 -14.2923 -7.4455 -7.4455 -6.3704 -6.3704 -6.2589 -6.2589 -4.9170 -4.9170 1.9581 1.9581 3.5056 3.5056 3.6983 3.6983 8.0450 8.0450 8.3888 8.3888 14.2814 14.2814 15.4594 15.4594 15.7543 15.7543 16.1755 16.1755 k =-0.1394 0.1819 0.2292 ( 1517 PWs) bands (ev): -24.7905 -24.7905 -14.2840 -14.2840 -7.4439 -7.4439 -6.3617 -6.3617 -6.2613 -6.2613 -4.9208 -4.9208 1.9430 1.9430 3.5434 3.5434 3.7296 3.7296 8.0382 8.0382 8.3645 8.3645 14.1811 14.1811 15.3553 15.3553 15.8265 15.8265 16.1884 16.1884 k =-0.1338 0.1746 0.2200 ( 1517 PWs) bands (ev): -24.7939 -24.7939 -14.2756 -14.2756 -7.4427 -7.4427 -6.3537 -6.3537 -6.2638 -6.2638 -4.9238 -4.9238 1.9282 1.9282 3.5821 3.5821 3.7613 3.7613 8.0323 8.0323 8.3408 8.3408 14.0804 14.0804 15.2482 15.2482 15.8998 15.8998 16.2013 16.2013 k =-0.1283 0.1673 0.2108 ( 1513 PWs) bands (ev): -24.7974 -24.7974 -14.2671 -14.2671 -7.4418 -7.4418 -6.3463 -6.3463 -6.2664 -6.2664 -4.9262 -4.9262 1.9139 1.9139 3.6216 3.6216 3.7935 3.7935 8.0274 8.0274 8.3176 8.3176 13.9799 13.9799 15.1390 15.1390 15.9740 15.9740 16.2143 16.2143 k =-0.1227 0.1601 0.2017 ( 1515 PWs) bands (ev): -24.8008 -24.8008 -14.2586 -14.2586 -7.4412 -7.4412 -6.3396 -6.3396 -6.2690 -6.2690 -4.9278 -4.9278 1.9000 1.9000 3.6617 3.6617 3.8259 3.8259 8.0232 8.0232 8.2950 8.2950 13.8802 13.8802 15.0290 15.0290 16.0483 16.0483 16.2279 16.2279 k =-0.1171 0.1528 0.1925 ( 1523 PWs) bands (ev): -24.8042 -24.8042 -14.2501 -14.2501 -7.4409 -7.4409 -6.3336 -6.3336 -6.2717 -6.2717 -4.9288 -4.9288 1.8866 1.8866 3.7023 3.7023 3.8584 3.8584 8.0199 8.0199 8.2732 8.2732 13.7818 13.7818 14.9190 14.9190 16.1210 16.1210 16.2435 16.2435 k =-0.1115 0.1455 0.1833 ( 1519 PWs) bands (ev): -24.8075 -24.8075 -14.2416 -14.2416 -7.4408 -7.4408 -6.3282 -6.3282 -6.2743 -6.2743 -4.9292 -4.9292 1.8737 1.8737 3.7430 3.7430 3.8908 3.8908 8.0173 8.0173 8.2520 8.2520 13.6852 13.6852 14.8099 14.8099 16.1861 16.1861 16.2665 16.2665 k =-0.1060 0.1382 0.1742 ( 1519 PWs) bands (ev): -24.8107 -24.8107 -14.2333 -14.2333 -7.4409 -7.4409 -6.3234 -6.3234 -6.2769 -6.2769 -4.9291 -4.9291 1.8613 1.8613 3.7838 3.7838 3.9231 3.9231 8.0153 8.0153 8.2317 8.2317 13.5909 13.5909 14.7023 14.7023 16.2282 16.2282 16.3059 16.3059 k =-0.1004 0.1310 0.1650 ( 1523 PWs) bands (ev): -24.8139 -24.8139 -14.2250 -14.2250 -7.4412 -7.4412 -6.3192 -6.3192 -6.2795 -6.2795 -4.9285 -4.9285 1.8495 1.8495 3.8244 3.8244 3.9550 3.9550 8.0140 8.0140 8.2121 8.2121 13.4992 13.4992 14.5970 14.5970 16.2491 16.2491 16.3091 16.3091 k =-0.0948 0.1237 0.1558 ( 1527 PWs) bands (ev): -24.8170 -24.8170 -14.2170 -14.2170 -7.4416 -7.4416 -6.3156 -6.3156 -6.2819 -6.2819 -4.9275 -4.9275 1.8381 1.8381 3.8645 3.8645 3.9865 3.9865 8.0132 8.0132 8.1934 8.1934 13.4107 13.4107 14.4944 14.4944 16.2625 16.2625 16.2913 16.2913 k =-0.0892 0.1164 0.1467 ( 1527 PWs) bands (ev): -24.8200 -24.8200 -14.2091 -14.2091 -7.4422 -7.4422 -6.3125 -6.3125 -6.2843 -6.2843 -4.9262 -4.9262 1.8274 1.8274 3.9039 3.9039 4.0173 4.0173 8.0129 8.0129 8.1756 8.1756 13.3255 13.3255 14.3950 14.3950 16.2709 16.2709 16.2762 16.2762 k =-0.0836 0.1091 0.1375 ( 1531 PWs) bands (ev): -24.8229 -24.8229 -14.2016 -14.2016 -7.4428 -7.4428 -6.3100 -6.3100 -6.2864 -6.2864 -4.9245 -4.9245 1.8171 1.8171 3.9423 3.9423 4.0474 4.0474 8.0130 8.0130 8.1587 8.1587 13.2441 13.2441 14.2993 14.2993 16.2571 16.2571 16.2835 16.2835 k =-0.0781 0.1019 0.1283 ( 1531 PWs) bands (ev): -24.8257 -24.8257 -14.1943 -14.1943 -7.4435 -7.4435 -6.3080 -6.3080 -6.2883 -6.2883 -4.9227 -4.9227 1.8075 1.8075 3.9796 3.9796 4.0767 4.0767 8.0135 8.0135 8.1428 8.1428 13.1667 13.1667 14.2077 14.2077 16.2426 16.2426 16.2920 16.2920 k =-0.0725 0.0946 0.1192 ( 1527 PWs) bands (ev): -24.8283 -24.8283 -14.1873 -14.1873 -7.4443 -7.4443 -6.3066 -6.3066 -6.2899 -6.2899 -4.9207 -4.9207 1.7985 1.7985 4.0154 4.0154 4.1049 4.1049 8.0143 8.0143 8.1278 8.1278 13.0936 13.0936 14.1206 14.1206 16.2294 16.2294 16.2999 16.2999 k =-0.0669 0.0873 0.1100 ( 1529 PWs) bands (ev): -24.8308 -24.8308 -14.1807 -14.1807 -7.4451 -7.4451 -6.3059 -6.3059 -6.2911 -6.2911 -4.9186 -4.9186 1.7900 1.7900 4.0494 4.0494 4.1320 4.1320 8.0153 8.0153 8.1139 8.1139 13.0251 13.0251 14.0384 14.0384 16.2176 16.2176 16.3072 16.3072 k =-0.0613 0.0800 0.1008 ( 1539 PWs) bands (ev): -24.8331 -24.8331 -14.1745 -14.1745 -7.4459 -7.4459 -6.3057 -6.3057 -6.2918 -6.2918 -4.9164 -4.9164 1.7822 1.7822 4.0815 4.0815 4.1578 4.1578 8.0164 8.0164 8.1011 8.1011 12.9613 12.9613 13.9614 13.9614 16.2070 16.2070 16.3138 16.3138 k =-0.0558 0.0728 0.0917 ( 1535 PWs) bands (ev): -24.8352 -24.8352 -14.1688 -14.1688 -7.4467 -7.4467 -6.3060 -6.3060 -6.2922 -6.2922 -4.9142 -4.9142 1.7750 1.7750 4.1113 4.1113 4.1823 4.1823 8.0175 8.0175 8.0894 8.0894 12.9024 12.9024 13.8899 13.8899 16.1975 16.1975 16.3198 16.3198 k =-0.0502 0.0655 0.0825 ( 1537 PWs) bands (ev): -24.8372 -24.8372 -14.1635 -14.1635 -7.4475 -7.4475 -6.3067 -6.3067 -6.2922 -6.2922 -4.9121 -4.9121 1.7685 1.7685 4.1386 4.1386 4.2053 4.2053 8.0187 8.0187 8.0789 8.0789 12.8487 12.8487 13.8243 13.8243 16.1892 16.1892 16.3253 16.3253 k =-0.0446 0.0582 0.0733 ( 1537 PWs) bands (ev): -24.8390 -24.8390 -14.1587 -14.1587 -7.4483 -7.4483 -6.3076 -6.3076 -6.2921 -6.2921 -4.9101 -4.9101 1.7626 1.7626 4.1633 4.1633 4.2267 4.2267 8.0197 8.0197 8.0696 8.0696 12.8002 12.8002 13.7647 13.7647 16.1819 16.1819 16.3302 16.3302 k =-0.0390 0.0509 0.0642 ( 1533 PWs) bands (ev): -24.8406 -24.8406 -14.1543 -14.1543 -7.4489 -7.4489 -6.3086 -6.3086 -6.2919 -6.2919 -4.9082 -4.9082 1.7574 1.7574 4.1852 4.1852 4.2462 4.2462 8.0205 8.0205 8.0616 8.0616 12.7571 12.7571 13.7115 13.7115 16.1755 16.1755 16.3345 16.3345 k =-0.0335 0.0437 0.0550 ( 1545 PWs) bands (ev): -24.8420 -24.8420 -14.1506 -14.1506 -7.4496 -7.4496 -6.3096 -6.3096 -6.2917 -6.2917 -4.9065 -4.9065 1.7529 1.7529 4.2042 4.2042 4.2637 4.2637 8.0210 8.0210 8.0549 8.0549 12.7195 12.7195 13.6649 13.6649 16.1700 16.1700 16.3382 16.3382 k =-0.0279 0.0364 0.0458 ( 1545 PWs) bands (ev): -24.8432 -24.8432 -14.1473 -14.1473 -7.4501 -7.4501 -6.3104 -6.3104 -6.2915 -6.2915 -4.9050 -4.9050 1.7491 1.7491 4.2203 4.2203 4.2791 4.2791 8.0210 8.0210 8.0497 8.0497 12.6876 12.6876 13.6251 13.6251 16.1655 16.1655 16.3413 16.3413 k =-0.0223 0.0291 0.0367 ( 1549 PWs) bands (ev): -24.8442 -24.8442 -14.1447 -14.1447 -7.4506 -7.4506 -6.3112 -6.3112 -6.2913 -6.2913 -4.9037 -4.9037 1.7459 1.7459 4.2334 4.2334 4.2920 4.2920 8.0206 8.0206 8.0458 8.0458 12.6614 12.6614 13.5923 13.5923 16.1618 16.1618 16.3439 16.3439 k =-0.0167 0.0218 0.0275 ( 1553 PWs) bands (ev): -24.8449 -24.8449 -14.1426 -14.1426 -7.4509 -7.4509 -6.3118 -6.3118 -6.2912 -6.2912 -4.9027 -4.9027 1.7434 1.7434 4.2436 4.2436 4.3022 4.3022 8.0199 8.0199 8.0433 8.0433 12.6409 12.6409 13.5666 13.5666 16.1590 16.1590 16.3460 16.3460 k =-0.0112 0.0146 0.0183 ( 1553 PWs) bands (ev): -24.8455 -24.8455 -14.1411 -14.1411 -7.4512 -7.4512 -6.3123 -6.3123 -6.2911 -6.2911 -4.9020 -4.9020 1.7417 1.7417 4.2508 4.2508 4.3097 4.3097 8.0191 8.0191 8.0418 8.0418 12.6262 12.6262 13.5482 13.5482 16.1570 16.1570 16.3474 16.3474 k =-0.0056 0.0073 0.0092 ( 1557 PWs) bands (ev): -24.8458 -24.8458 -14.1402 -14.1402 -7.4514 -7.4514 -6.3125 -6.3125 -6.2910 -6.2910 -4.9016 -4.9016 1.7406 1.7406 4.2552 4.2552 4.3142 4.3142 8.0184 8.0184 8.0410 8.0410 12.6174 12.6174 13.5371 13.5371 16.1557 16.1557 16.3483 16.3483 k = 0.0000 0.0000 0.0000 ( 1557 PWs) bands (ev): -24.8459 -24.8459 -14.1399 -14.1399 -7.4514 -7.4514 -6.3126 -6.3126 -6.2910 -6.2910 -4.9014 -4.9014 1.7403 1.7403 4.2566 4.2566 4.3157 4.3157 8.0182 8.0182 8.0408 8.0408 12.6144 12.6144 13.5334 13.5334 16.1553 16.1553 16.3486 16.3486 k = 0.0000 0.0000 0.0000 ( 1557 PWs) bands (ev): -24.8459 -24.8459 -14.1399 -14.1399 -7.4514 -7.4514 -6.3126 -6.3126 -6.2910 -6.2910 -4.9014 -4.9014 1.7403 1.7403 4.2566 4.2566 4.3157 4.3157 8.0182 8.0182 8.0408 8.0408 12.6144 12.6144 13.5334 13.5334 16.1553 16.1553 16.3486 16.3486 k = 0.0104 0.0080 0.0000 ( 1557 PWs) bands (ev): -24.8459 -24.8459 -14.1399 -14.1399 -7.4516 -7.4516 -6.3127 -6.3127 -6.2914 -6.2914 -4.9024 -4.9024 1.7435 1.7435 4.2563 4.2563 4.3154 4.3154 8.0197 8.0197 8.0422 8.0422 12.6129 12.6129 13.5338 13.5338 16.0735 16.0735 16.4309 16.4309 k = 0.0208 0.0160 0.0000 ( 1557 PWs) bands (ev): -24.8457 -24.8457 -14.1399 -14.1399 -7.4522 -7.4522 -6.3131 -6.3131 -6.2927 -6.2927 -4.9053 -4.9053 1.7530 1.7530 4.2552 4.2552 4.3144 4.3144 8.0240 8.0240 8.0466 8.0466 12.6083 12.6083 13.5353 13.5353 15.9376 15.9376 16.5226 16.5226 k = 0.0312 0.0240 0.0000 ( 1557 PWs) bands (ev): -24.8454 -24.8454 -14.1400 -14.1400 -7.4533 -7.4533 -6.3137 -6.3137 -6.2949 -6.2949 -4.9100 -4.9100 1.7687 1.7687 4.2536 4.2536 4.3128 4.3128 8.0313 8.0313 8.0539 8.0539 12.6006 12.6006 13.5376 13.5376 15.7951 15.7951 16.5251 16.5251 k = 0.0417 0.0319 0.0000 ( 1557 PWs) bands (ev): -24.8450 -24.8450 -14.1401 -14.1401 -7.4548 -7.4548 -6.3146 -6.3146 -6.2981 -6.2981 -4.9162 -4.9162 1.7905 1.7905 4.2512 4.2512 4.3106 4.3106 8.0414 8.0414 8.0640 8.0640 12.5900 12.5900 13.5407 13.5407 15.6523 15.6523 16.5286 16.5286 k = 0.0521 0.0399 0.0000 ( 1557 PWs) bands (ev): -24.8445 -24.8445 -14.1402 -14.1402 -7.4567 -7.4567 -6.3157 -6.3157 -6.3025 -6.3025 -4.9236 -4.9236 1.8181 1.8181 4.2482 4.2482 4.3078 4.3078 8.0543 8.0543 8.0770 8.0770 12.5765 12.5765 13.5445 13.5445 15.5113 15.5113 16.5331 16.5331 k = 0.0625 0.0479 0.0000 ( 1557 PWs) bands (ev): -24.8439 -24.8439 -14.1404 -14.1404 -7.4592 -7.4592 -6.3170 -6.3170 -6.3083 -6.3083 -4.9318 -4.9318 1.8511 1.8511 4.2447 4.2447 4.3045 4.3045 8.0699 8.0699 8.0926 8.0926 12.5603 12.5603 13.5489 13.5489 15.3733 15.3733 16.5385 16.5385 k = 0.0729 0.0559 0.0000 ( 1565 PWs) bands (ev): -24.8432 -24.8432 -14.1405 -14.1405 -7.4622 -7.4622 -6.3185 -6.3185 -6.3155 -6.3155 -4.9403 -4.9403 1.8893 1.8893 4.2406 4.2406 4.3006 4.3006 8.0881 8.0881 8.1109 8.1109 12.5414 12.5414 13.5536 13.5536 15.2389 15.2389 16.5448 16.5448 k = 0.0833 0.0639 0.0000 ( 1541 PWs) bands (ev): -24.8424 -24.8424 -14.1406 -14.1406 -7.4658 -7.4658 -6.3245 -6.3245 -6.3203 -6.3203 -4.9487 -4.9487 1.9321 1.9321 4.2359 4.2359 4.2963 4.2963 8.1089 8.1089 8.1318 8.1318 12.5202 12.5202 13.5584 13.5584 15.1094 15.1094 16.5521 16.5521 k = 0.0938 0.0719 0.0000 ( 1533 PWs) bands (ev): -24.8415 -24.8415 -14.1407 -14.1407 -7.4701 -7.4701 -6.3354 -6.3354 -6.3222 -6.3222 -4.9563 -4.9563 1.9792 1.9792 4.2308 4.2308 4.2915 4.2915 8.1320 8.1320 8.1551 8.1551 12.4966 12.4966 13.5628 13.5628 14.9853 14.9853 16.5603 16.5603 k = 0.1042 0.0798 0.0000 ( 1533 PWs) bands (ev): -24.8405 -24.8405 -14.1408 -14.1408 -7.4751 -7.4751 -6.3484 -6.3484 -6.3244 -6.3244 -4.9628 -4.9628 2.0300 2.0300 4.2253 4.2253 4.2863 4.2863 8.1575 8.1575 8.1806 8.1806 12.4709 12.4709 13.5664 13.5664 14.8677 14.8677 16.5694 16.5694 k = 0.1146 0.0878 0.0000 ( 1533 PWs) bands (ev): -24.8394 -24.8394 -14.1409 -14.1409 -7.4809 -7.4809 -6.3637 -6.3637 -6.3268 -6.3268 -4.9674 -4.9674 2.0840 2.0840 4.2193 4.2193 4.2808 4.2808 8.1851 8.1851 8.2084 8.2084 12.4434 12.4434 13.5687 13.5687 14.7576 14.7576 16.5793 16.5793 k = 0.1250 0.0958 0.0000 ( 1533 PWs) bands (ev): -24.8382 -24.8382 -14.1409 -14.1409 -7.4875 -7.4875 -6.3814 -6.3814 -6.3293 -6.3293 -4.9699 -4.9699 2.1407 2.1407 4.2131 4.2131 4.2749 4.2749 8.2147 8.2147 8.2381 8.2381 12.4141 12.4141 13.5689 13.5689 14.6562 14.6562 16.5900 16.5900 k = 0.1354 0.1038 0.0000 ( 1537 PWs) bands (ev): -24.8369 -24.8369 -14.1409 -14.1409 -7.4951 -7.4951 -6.4016 -6.4016 -6.3321 -6.3321 -4.9697 -4.9697 2.1994 2.1994 4.2065 4.2065 4.2688 4.2688 8.2462 8.2462 8.2697 8.2697 12.3833 12.3833 13.5664 13.5664 14.5646 14.5646 16.6015 16.6015 k = 0.1458 0.1118 0.0000 ( 1537 PWs) bands (ev): -24.8356 -24.8356 -14.1408 -14.1408 -7.5038 -7.5038 -6.4241 -6.4241 -6.3350 -6.3350 -4.9665 -4.9665 2.2597 2.2597 4.1997 4.1997 4.2625 4.2625 8.2794 8.2794 8.3030 8.3030 12.3513 12.3513 13.5601 13.5601 14.4841 14.4841 16.6137 16.6137 k = 0.1562 0.1198 0.0000 ( 1545 PWs) bands (ev): -24.8342 -24.8342 -14.1407 -14.1407 -7.5135 -7.5135 -6.4488 -6.4488 -6.3380 -6.3380 -4.9602 -4.9602 2.3210 2.3210 4.1928 4.1928 4.2561 4.2561 8.3141 8.3141 8.3379 8.3379 12.3181 12.3181 13.5496 13.5496 14.4158 14.4158 16.6267 16.6267 k = 0.1667 0.1277 0.0000 ( 1537 PWs) bands (ev): -24.8327 -24.8327 -14.1404 -14.1404 -7.5245 -7.5245 -6.4757 -6.4757 -6.3411 -6.3411 -4.9505 -4.9505 2.3826 2.3826 4.1857 4.1857 4.2495 4.2495 8.3503 8.3503 8.3742 8.3742 12.2841 12.2841 13.5343 13.5343 14.3605 14.3605 16.6402 16.6402 k = 0.1771 0.1357 0.0000 ( 1537 PWs) bands (ev): -24.8312 -24.8312 -14.1401 -14.1401 -7.5368 -7.5368 -6.5043 -6.5043 -6.3444 -6.3444 -4.9374 -4.9374 2.4441 2.4441 4.1786 4.1786 4.2429 4.2429 8.3875 8.3875 8.4116 8.4116 12.2493 12.2493 13.5144 13.5144 14.3185 14.3185 16.6544 16.6544 k = 0.1875 0.1437 0.0000 ( 1537 PWs) bands (ev): -24.8296 -24.8296 -14.1397 -14.1397 -7.5504 -7.5504 -6.5345 -6.5345 -6.3478 -6.3478 -4.9209 -4.9209 2.5050 2.5050 4.1714 4.1714 4.2362 4.2362 8.4258 8.4258 8.4501 8.4501 12.2140 12.2140 13.4906 13.4906 14.2892 14.2892 16.6691 16.6691 k = 0.1979 0.1517 0.0000 ( 1533 PWs) bands (ev): -24.8280 -24.8280 -14.1392 -14.1392 -7.5656 -7.5656 -6.5657 -6.5657 -6.3513 -6.3513 -4.9011 -4.9011 2.5646 2.5646 4.1642 4.1642 4.2296 4.2296 8.4649 8.4649 8.4893 8.4893 12.1784 12.1784 13.4645 13.4645 14.2717 14.2717 16.6844 16.6844 k = 0.2083 0.1597 0.0000 ( 1517 PWs) bands (ev): -24.8263 -24.8263 -14.1386 -14.1386 -7.5822 -7.5822 -6.5977 -6.5977 -6.3548 -6.3548 -4.8783 -4.8783 2.6226 2.6226 4.1571 4.1571 4.2231 4.2231 8.5047 8.5047 8.5293 8.5293 12.1426 12.1426 13.4377 13.4377 14.2644 14.2644 16.7000 16.7000 k = 0.2188 0.1677 0.0000 ( 1517 PWs) bands (ev): -24.8247 -24.8247 -14.1379 -14.1379 -7.6005 -7.6005 -6.6299 -6.6299 -6.3584 -6.3584 -4.8524 -4.8524 2.6784 2.6784 4.1500 4.1500 4.2166 4.2166 8.5449 8.5449 8.5697 8.5697 12.1069 12.1069 13.4121 13.4121 14.2656 14.2656 16.7161 16.7161 k = 0.2292 0.1757 0.0000 ( 1521 PWs) bands (ev): -24.8230 -24.8230 -14.1371 -14.1371 -7.6204 -7.6204 -6.6621 -6.6621 -6.3621 -6.3621 -4.8239 -4.8239 2.7316 2.7316 4.1431 4.1431 4.2103 4.2103 8.5854 8.5854 8.6103 8.6103 12.0712 12.0712 13.3894 13.3894 14.2740 14.2740 16.7324 16.7324 k = 0.2396 0.1836 0.0000 ( 1521 PWs) bands (ev): -24.8212 -24.8212 -14.1362 -14.1362 -7.6419 -7.6419 -6.6938 -6.6938 -6.3658 -6.3658 -4.7930 -4.7930 2.7820 2.7820 4.1363 4.1363 4.2041 4.2041 8.6260 8.6260 8.6510 8.6510 12.0359 12.0359 13.3711 13.3711 14.2880 14.2880 16.7490 16.7490 k = 0.2500 0.1916 0.0000 ( 1522 PWs) bands (ev): -24.8195 -24.8195 -14.1351 -14.1351 -7.6651 -7.6651 -6.7246 -6.7246 -6.3695 -6.3695 -4.7599 -4.7599 2.8291 2.8291 4.1297 4.1297 4.1981 4.1981 8.6665 8.6665 8.6917 8.6917 12.0010 12.0010 13.3583 13.3583 14.3067 14.3067 16.7658 16.7658 k = 0.2604 0.1996 0.0000 ( 1526 PWs) bands (ev): -24.8178 -24.8178 -14.1340 -14.1340 -7.6897 -7.6897 -6.7544 -6.7544 -6.3732 -6.3732 -4.7249 -4.7249 2.8728 2.8728 4.1232 4.1232 4.1923 4.1923 8.7068 8.7068 8.7321 8.7321 11.9667 11.9667 13.3521 13.3521 14.3291 14.3291 16.7827 16.7827 k = 0.2708 0.2076 0.0000 ( 1526 PWs) bands (ev): -24.8161 -24.8161 -14.1328 -14.1328 -7.7158 -7.7158 -6.7828 -6.7828 -6.3769 -6.3769 -4.6884 -4.6884 2.9128 2.9128 4.1170 4.1170 4.1867 4.1867 8.7466 8.7466 8.7721 8.7721 11.9330 11.9330 13.3530 13.3530 14.3544 14.3544 16.7997 16.7997 k = 0.2812 0.2156 0.0000 ( 1526 PWs) bands (ev): -24.8144 -24.8144 -14.1314 -14.1314 -7.7432 -7.7432 -6.8098 -6.8098 -6.3805 -6.3805 -4.6506 -4.6506 2.9489 2.9489 4.1110 4.1110 4.1813 4.1813 8.7858 8.7858 8.8114 8.8114 11.9002 11.9002 13.3615 13.3615 14.3821 14.3821 16.8166 16.8166 k = 0.2917 0.2236 0.0000 ( 1522 PWs) bands (ev): -24.8127 -24.8127 -14.1300 -14.1300 -7.7716 -7.7716 -6.8350 -6.8350 -6.3841 -6.3841 -4.6118 -4.6118 2.9812 2.9812 4.1053 4.1053 4.1762 4.1762 8.8243 8.8243 8.8500 8.8500 11.8682 11.8682 13.3779 13.3779 14.4115 14.4115 16.8334 16.8334 k = 0.3021 0.2315 0.0000 ( 1522 PWs) bands (ev): -24.8110 -24.8110 -14.1285 -14.1285 -7.8009 -7.8009 -6.8586 -6.8586 -6.3876 -6.3876 -4.5724 -4.5724 3.0096 3.0096 4.0998 4.0998 4.1714 4.1714 8.8619 8.8619 8.8877 8.8877 11.8373 11.8373 13.4023 13.4023 14.4423 14.4423 16.8501 16.8501 k = 0.3125 0.2395 0.0000 ( 1522 PWs) bands (ev): -24.8094 -24.8094 -14.1269 -14.1269 -7.8308 -7.8308 -6.8804 -6.8804 -6.3911 -6.3911 -4.5326 -4.5326 3.0341 3.0341 4.0946 4.0946 4.1668 4.1668 8.8984 8.8984 8.9244 8.9244 11.8075 11.8075 13.4346 13.4346 14.4740 14.4740 16.8665 16.8665 k = 0.3229 0.2475 0.0000 ( 1522 PWs) bands (ev): -24.8079 -24.8079 -14.1253 -14.1253 -7.8611 -7.8611 -6.9005 -6.9005 -6.3944 -6.3944 -4.4928 -4.4928 3.0548 3.0548 4.0897 4.0897 4.1625 4.1625 8.9337 8.9337 8.9598 8.9598 11.7788 11.7788 13.4747 13.4747 14.5063 14.5063 16.8826 16.8826 k = 0.3333 0.2555 0.0000 ( 1522 PWs) bands (ev): -24.8063 -24.8063 -14.1236 -14.1236 -7.8914 -7.8914 -6.9189 -6.9189 -6.3977 -6.3977 -4.4532 -4.4532 3.0720 3.0720 4.0850 4.0850 4.1584 4.1584 8.9676 8.9676 8.9938 8.9938 11.7515 11.7515 13.5221 13.5221 14.5388 14.5388 16.8982 16.8982 k = 0.3438 0.2635 0.0000 ( 1526 PWs) bands (ev): -24.8049 -24.8049 -14.1219 -14.1219 -7.9214 -7.9214 -6.9357 -6.9357 -6.4008 -6.4008 -4.4141 -4.4141 3.0858 3.0858 4.0806 4.0806 4.1546 4.1546 9.0001 9.0001 9.0264 9.0264 11.7254 11.7254 13.5765 13.5765 14.5712 14.5712 16.9134 16.9134 k = 0.3542 0.2715 0.0000 ( 1522 PWs) bands (ev): -24.8035 -24.8035 -14.1202 -14.1202 -7.9510 -7.9510 -6.9509 -6.9509 -6.4038 -6.4038 -4.3759 -4.3759 3.0964 3.0964 4.0766 4.0766 4.1511 4.1511 9.0311 9.0311 9.0574 9.0574 11.7007 11.7007 13.6374 13.6374 14.6031 14.6031 16.9280 16.9280 k = 0.3646 0.2794 0.0000 ( 1522 PWs) bands (ev): -24.8021 -24.8021 -14.1185 -14.1185 -7.9798 -7.9798 -6.9647 -6.9647 -6.4066 -6.4066 -4.3388 -4.3388 3.1043 3.1043 4.0728 4.0728 4.1479 4.1479 9.0603 9.0603 9.0867 9.0867 11.6775 11.6775 13.7038 13.7038 14.6342 14.6342 16.9420 16.9420 k = 0.3750 0.2874 0.0000 ( 1526 PWs) bands (ev): -24.8009 -24.8009 -14.1169 -14.1169 -8.0075 -8.0075 -6.9771 -6.9771 -6.4093 -6.4093 -4.3032 -4.3032 3.1096 3.1096 4.0693 4.0693 4.1449 4.1449 9.0877 9.0877 9.1143 9.1143 11.6559 11.6559 13.7750 13.7750 14.6641 14.6641 16.9553 16.9553 k = 0.3854 0.2954 0.0000 ( 1518 PWs) bands (ev): -24.7997 -24.7997 -14.1153 -14.1153 -8.0339 -8.0339 -6.9881 -6.9881 -6.4118 -6.4118 -4.2691 -4.2691 3.1128 3.1128 4.0660 4.0660 4.1422 4.1422 9.1133 9.1133 9.1399 9.1399 11.6357 11.6357 13.8500 13.8500 14.6926 14.6926 16.9678 16.9678 k = 0.3958 0.3034 0.0000 ( 1518 PWs) bands (ev): -24.7986 -24.7986 -14.1137 -14.1137 -8.0588 -8.0588 -6.9980 -6.9980 -6.4141 -6.4141 -4.2371 -4.2371 3.1141 3.1141 4.0631 4.0631 4.1397 4.1397 9.1369 9.1369 9.1636 9.1636 11.6172 11.6172 13.9277 13.9277 14.7192 14.7192 16.9795 16.9795 k = 0.4062 0.3114 0.0000 ( 1510 PWs) bands (ev): -24.7976 -24.7976 -14.1123 -14.1123 -8.0819 -8.0819 -7.0066 -7.0066 -6.4162 -6.4162 -4.2072 -4.2072 3.1140 3.1140 4.0605 4.0605 4.1375 4.1375 9.1585 9.1585 9.1852 9.1852 11.6004 11.6004 14.0068 14.0068 14.7437 14.7437 16.9903 16.9903 k = 0.4167 0.3194 0.0000 ( 1510 PWs) bands (ev): -24.7967 -24.7967 -14.1109 -14.1109 -8.1031 -8.1031 -7.0142 -7.0142 -6.4182 -6.4182 -4.1797 -4.1797 3.1128 3.1128 4.0581 4.0581 4.1356 4.1356 9.1780 9.1780 9.2047 9.2047 11.5852 11.5852 14.0858 14.0858 14.7656 14.7656 17.0001 17.0001 k = 0.4271 0.3274 0.0000 ( 1510 PWs) bands (ev): -24.7959 -24.7959 -14.1097 -14.1097 -8.1222 -8.1222 -7.0208 -7.0208 -6.4199 -6.4199 -4.1550 -4.1550 3.1109 3.1109 4.0560 4.0560 4.1339 4.1339 9.1953 9.1953 9.2220 9.2220 11.5717 11.5717 14.1631 14.1631 14.7846 14.7846 17.0089 17.0089 k = 0.4375 0.3353 0.0000 ( 1498 PWs) bands (ev): -24.7951 -24.7951 -14.1085 -14.1085 -8.1390 -8.1390 -7.0264 -7.0264 -6.4214 -6.4214 -4.1330 -4.1330 3.1084 3.1084 4.0543 4.0543 4.1324 4.1324 9.2104 9.2104 9.2372 9.2372 11.5600 11.5600 14.2370 14.2370 14.8005 14.8005 17.0166 17.0166 k = 0.4479 0.3433 0.0000 ( 1498 PWs) bands (ev): -24.7945 -24.7945 -14.1076 -14.1076 -8.1535 -8.1535 -7.0311 -7.0311 -6.4227 -6.4227 -4.1142 -4.1142 3.1059 3.1059 4.0528 4.0528 4.1312 4.1312 9.2232 9.2232 9.2500 9.2500 11.5500 11.5500 14.3054 14.3054 14.8130 14.8130 17.0232 17.0232 k = 0.4583 0.3513 0.0000 ( 1498 PWs) bands (ev): -24.7940 -24.7940 -14.1068 -14.1068 -8.1655 -8.1655 -7.0348 -7.0348 -6.4237 -6.4237 -4.0985 -4.0985 3.1034 3.1034 4.0515 4.0515 4.1302 4.1302 9.2338 9.2338 9.2606 9.2606 11.5418 11.5418 14.3662 14.3662 14.8222 14.8222 17.0287 17.0287 k = 0.4688 0.3593 0.0000 ( 1498 PWs) bands (ev): -24.7936 -24.7936 -14.1061 -14.1061 -8.1749 -8.1749 -7.0377 -7.0377 -6.4246 -6.4246 -4.0862 -4.0862 3.1012 3.1012 4.0506 4.0506 4.1294 4.1294 9.2420 9.2420 9.2688 9.2688 11.5355 11.5355 14.4173 14.4173 14.8282 14.8282 17.0330 17.0330 k = 0.4792 0.3673 0.0000 ( 1494 PWs) bands (ev): -24.7934 -24.7934 -14.1057 -14.1057 -8.1817 -8.1817 -7.0398 -7.0398 -6.4252 -6.4252 -4.0773 -4.0773 3.0995 3.0995 4.0499 4.0499 4.1288 4.1288 9.2479 9.2479 9.2748 9.2748 11.5309 11.5309 14.4562 14.4562 14.8316 14.8316 17.0360 17.0360 k = 0.4896 0.3753 0.0000 ( 1494 PWs) bands (ev): -24.7932 -24.7932 -14.1054 -14.1054 -8.1858 -8.1858 -7.0410 -7.0410 -6.4255 -6.4255 -4.0719 -4.0719 3.0985 3.0985 4.0495 4.0495 4.1285 4.1285 9.2514 9.2514 9.2783 9.2783 11.5282 11.5282 14.4807 14.4807 14.8330 14.8330 17.0379 17.0379 k = 0.5000 0.3832 0.0000 ( 1494 PWs) bands (ev): -24.7931 -24.7931 -14.1053 -14.1053 -8.1871 -8.1871 -7.0414 -7.0414 -6.4256 -6.4256 -4.0701 -4.0701 3.0982 3.0982 4.0493 4.0493 4.1284 4.1284 9.2526 9.2526 9.2795 9.2795 11.5272 11.5272 14.4891 14.4891 14.8334 14.8334 17.0385 17.0385 k = 0.5000 0.3832 0.0000 ( 1494 PWs) bands (ev): -24.7931 -24.7931 -14.1053 -14.1053 -8.1871 -8.1871 -7.0414 -7.0414 -6.4256 -6.4256 -4.0701 -4.0701 3.0982 3.0982 4.0493 4.0493 4.1284 4.1284 9.2526 9.2526 9.2795 9.2795 11.5272 11.5272 14.4891 14.4891 14.8334 14.8334 17.0385 17.0385 k = 0.4945 0.3904 0.0091 ( 1492 PWs) bands (ev): -24.7931 -24.7931 -14.1056 -14.1056 -8.1867 -8.1867 -7.0412 -7.0412 -6.4255 -6.4255 -4.0705 -4.0705 3.0979 3.0979 4.0480 4.0480 4.1270 4.1270 9.2523 9.2523 9.2792 9.2792 11.5303 11.5303 14.4893 14.4893 14.8369 14.8369 17.0407 17.0407 k = 0.4890 0.3976 0.0181 ( 1494 PWs) bands (ev): -24.7928 -24.7928 -14.1066 -14.1066 -8.1853 -8.1853 -7.0405 -7.0405 -6.4251 -6.4251 -4.0718 -4.0718 3.0970 3.0970 4.0442 4.0442 4.1229 4.1229 9.2512 9.2512 9.2782 9.2782 11.5395 11.5395 14.4898 14.4898 14.8473 14.8473 17.0471 17.0471 k = 0.4834 0.4048 0.0272 ( 1494 PWs) bands (ev): -24.7924 -24.7924 -14.1082 -14.1082 -8.1830 -8.1830 -7.0394 -7.0394 -6.4243 -6.4243 -4.0738 -4.0738 3.0955 3.0955 4.0376 4.0376 4.1162 4.1162 9.2494 9.2494 9.2767 9.2767 11.5548 11.5548 14.4907 14.4907 14.8646 14.8646 17.0578 17.0578 k = 0.4779 0.4120 0.0363 ( 1496 PWs) bands (ev): -24.7919 -24.7919 -14.1104 -14.1104 -8.1798 -8.1798 -7.0378 -7.0378 -6.4233 -6.4233 -4.0768 -4.0768 3.0935 3.0935 4.0285 4.0285 4.1070 4.1070 9.2465 9.2465 9.2748 9.2748 11.5762 11.5762 14.4919 14.4919 14.8886 14.8886 17.0727 17.0727 k = 0.4724 0.4192 0.0453 ( 1496 PWs) bands (ev): -24.7912 -24.7912 -14.1132 -14.1132 -8.1758 -8.1758 -7.0358 -7.0358 -6.4220 -6.4220 -4.0805 -4.0805 3.0909 3.0909 4.0166 4.0166 4.0955 4.0955 9.2424 9.2424 9.2727 9.2727 11.6036 11.6036 14.4935 14.4935 14.9193 14.9193 17.0917 17.0917 k = 0.4669 0.4264 0.0544 ( 1496 PWs) bands (ev): -24.7904 -24.7904 -14.1166 -14.1166 -8.1708 -8.1708 -7.0334 -7.0334 -6.4204 -6.4204 -4.0850 -4.0850 3.0876 3.0876 4.0020 4.0020 4.0819 4.0819 9.2371 9.2371 9.2706 9.2706 11.6370 11.6370 14.4953 14.4953 14.9565 14.9565 17.1148 17.1148 k = 0.4614 0.4336 0.0635 ( 1496 PWs) bands (ev): -24.7894 -24.7894 -14.1207 -14.1207 -8.1649 -8.1649 -7.0305 -7.0305 -6.4186 -6.4186 -4.0903 -4.0903 3.0838 3.0838 3.9846 3.9846 4.0664 4.0664 9.2304 9.2304 9.2686 9.2686 11.6763 11.6763 14.4975 14.4975 15.0001 15.0001 17.1418 17.1418 k = 0.4559 0.4408 0.0726 ( 1498 PWs) bands (ev): -24.7883 -24.7883 -14.1252 -14.1252 -8.1582 -8.1582 -7.0272 -7.0272 -6.4164 -6.4164 -4.0965 -4.0965 3.0793 3.0793 3.9643 3.9643 4.0493 4.0493 9.2222 9.2222 9.2666 9.2666 11.7214 11.7214 14.4999 14.4999 15.0497 15.0497 17.1724 17.1724 k = 0.4503 0.4480 0.0816 ( 1498 PWs) bands (ev): -24.7871 -24.7871 -14.1304 -14.1304 -8.1506 -8.1506 -7.0234 -7.0234 -6.4140 -6.4140 -4.1034 -4.1034 3.0742 3.0742 3.9414 3.9414 4.0307 4.0307 9.2126 9.2126 9.2646 9.2646 11.7722 11.7722 14.5025 14.5025 15.1052 15.1052 17.2028 17.2028 k = 0.4448 0.4552 0.0907 ( 1498 PWs) bands (ev): -24.7857 -24.7857 -14.1360 -14.1360 -8.1422 -8.1422 -7.0192 -7.0192 -6.4113 -6.4113 -4.1111 -4.1111 3.0685 3.0685 3.9158 3.9158 4.0108 4.0108 9.2018 9.2018 9.2626 9.2626 11.8287 11.8287 14.5053 14.5053 15.1663 15.1663 17.1431 17.1431 k = 0.4393 0.4624 0.0998 ( 1498 PWs) bands (ev): -24.7842 -24.7842 -14.1422 -14.1422 -8.1330 -8.1330 -7.0146 -7.0146 -6.4083 -6.4083 -4.1196 -4.1196 3.0621 3.0621 3.8878 3.8878 3.9898 3.9898 9.1897 9.1897 9.2605 9.2605 11.8905 11.8905 14.5082 14.5082 15.2327 15.2327 17.0532 17.0532 k = 0.4338 0.4696 0.1088 ( 1498 PWs) bands (ev): -24.7826 -24.7826 -14.1488 -14.1488 -8.1229 -8.1229 -7.0095 -7.0095 -6.4051 -6.4051 -4.1288 -4.1288 3.0550 3.0550 3.8575 3.8575 3.9678 3.9678 9.1763 9.1763 9.2582 9.2582 11.9577 11.9577 14.5113 14.5113 15.3039 15.3039 16.9646 16.9646 k = 0.4283 0.4768 0.1179 ( 1504 PWs) bands (ev): -24.7810 -24.7810 -14.1558 -14.1558 -8.1121 -8.1121 -7.0041 -7.0041 -6.4016 -6.4016 -4.1388 -4.1388 3.0472 3.0472 3.8253 3.8253 3.9449 3.9449 9.1619 9.1619 9.2557 9.2557 12.0301 12.0301 14.5143 14.5143 15.3797 15.3797 16.8784 16.8784 k = 0.4228 0.4840 0.1270 ( 1504 PWs) bands (ev): -24.7792 -24.7792 -14.1633 -14.1633 -8.1006 -8.1006 -6.9982 -6.9982 -6.3979 -6.3979 -4.1494 -4.1494 3.0387 3.0387 3.7913 3.7913 3.9211 3.9211 9.1463 9.1463 9.2530 9.2530 12.1075 12.1075 14.5174 14.5174 15.4595 15.4595 16.7950 16.7950 k = 0.4172 0.4912 0.1360 ( 1504 PWs) bands (ev): -24.7773 -24.7773 -14.1711 -14.1711 -8.0883 -8.0883 -6.9919 -6.9919 -6.3940 -6.3940 -4.1608 -4.1608 3.0293 3.0293 3.7559 3.7559 3.8966 3.8966 9.1296 9.1296 9.2500 9.2500 12.1897 12.1897 14.5204 14.5204 15.5430 15.5430 16.7146 16.7146 k = 0.4117 0.4984 0.1451 ( 1508 PWs) bands (ev): -24.7754 -24.7754 -14.1792 -14.1792 -8.0753 -8.0753 -6.9852 -6.9852 -6.3898 -6.3898 -4.1728 -4.1728 3.0192 3.0192 3.7193 3.7193 3.8714 3.8714 9.1119 9.1119 9.2466 9.2466 12.2765 12.2765 14.5234 14.5234 15.6296 15.6296 16.6375 16.6375 k = 0.4062 0.5056 0.1542 ( 1508 PWs) bands (ev): -24.7734 -24.7734 -14.1876 -14.1876 -8.0616 -8.0616 -6.9781 -6.9781 -6.3854 -6.3854 -4.1856 -4.1856 3.0082 3.0082 3.6819 3.6819 3.8456 3.8456 9.0932 9.0932 9.2429 9.2429 12.3678 12.3678 14.5262 14.5262 15.7186 15.7186 16.5638 16.5638 k = 0.4007 0.5128 0.1633 ( 1508 PWs) bands (ev): -24.7714 -24.7714 -14.1963 -14.1963 -8.0473 -8.0473 -6.9707 -6.9707 -6.3808 -6.3808 -4.1989 -4.1989 2.9962 2.9962 3.6439 3.6439 3.8194 3.8194 9.0736 9.0736 9.2388 9.2388 12.4633 12.4633 14.5289 14.5289 15.8095 15.8095 16.4939 16.4939 k = 0.3952 0.5200 0.1723 ( 1508 PWs) bands (ev): -24.7694 -24.7694 -14.2052 -14.2052 -8.0323 -8.0323 -6.9628 -6.9628 -6.3760 -6.3760 -4.2129 -4.2129 2.9833 2.9833 3.6058 3.6058 3.7928 3.7928 9.0531 9.0531 9.2343 9.2343 12.5627 12.5627 14.5313 14.5313 15.9015 15.9015 16.4278 16.4278 k = 0.3896 0.5272 0.1814 ( 1512 PWs) bands (ev): -24.7673 -24.7673 -14.2143 -14.2143 -8.0169 -8.0169 -6.9545 -6.9545 -6.3711 -6.3711 -4.2274 -4.2274 2.9693 2.9693 3.5676 3.5676 3.7660 3.7660 9.0317 9.0317 9.2292 9.2292 12.6659 12.6659 14.5336 14.5336 15.9937 15.9937 16.3656 16.3656 k = 0.3841 0.5344 0.1905 ( 1508 PWs) bands (ev): -24.7652 -24.7652 -14.2235 -14.2235 -8.0008 -8.0008 -6.9459 -6.9459 -6.3660 -6.3660 -4.2425 -4.2425 2.9542 2.9542 3.5299 3.5299 3.7391 3.7391 9.0095 9.0095 9.2237 9.2237 12.7724 12.7724 14.5356 14.5356 16.0850 16.0850 16.3078 16.3078 k = 0.3786 0.5416 0.1995 ( 1506 PWs) bands (ev): -24.7631 -24.7631 -14.2328 -14.2328 -7.9843 -7.9843 -6.9369 -6.9369 -6.3608 -6.3608 -4.2582 -4.2582 2.9379 2.9379 3.4928 3.4928 3.7122 3.7122 8.9865 8.9865 9.2176 9.2176 12.8821 12.8821 14.5374 14.5374 16.1729 16.1729 16.2561 16.2561 k = 0.3731 0.5488 0.2086 ( 1504 PWs) bands (ev): -24.7610 -24.7610 -14.2421 -14.2421 -7.9673 -7.9673 -6.9275 -6.9275 -6.3554 -6.3554 -4.2744 -4.2744 2.9203 2.9203 3.4566 3.4566 3.6854 3.6854 8.9628 8.9628 9.2110 9.2110 12.9946 12.9946 14.5390 14.5390 16.1972 16.1972 16.2693 16.2693 k = 0.3676 0.5560 0.2177 ( 1502 PWs) bands (ev): -24.7589 -24.7589 -14.2514 -14.2514 -7.9500 -7.9500 -6.9177 -6.9177 -6.3500 -6.3500 -4.2910 -4.2910 2.9014 2.9014 3.4216 3.4216 3.6589 3.6589 8.9384 8.9384 9.2038 9.2038 13.1095 13.1095 14.5405 14.5405 16.1541 16.1541 16.3503 16.3503 k = 0.3621 0.5632 0.2267 ( 1506 PWs) bands (ev): -24.7569 -24.7569 -14.2607 -14.2607 -7.9323 -7.9323 -6.9076 -6.9076 -6.3445 -6.3445 -4.3081 -4.3081 2.8811 2.8811 3.3880 3.3880 3.6327 3.6327 8.9134 8.9134 9.1959 9.1959 13.2264 13.2264 14.5420 14.5420 16.1127 16.1127 16.4287 16.4287 k = 0.3565 0.5704 0.2358 ( 1506 PWs) bands (ev): -24.7549 -24.7549 -14.2698 -14.2698 -7.9142 -7.9142 -6.8972 -6.8972 -6.3389 -6.3389 -4.3256 -4.3256 2.8594 2.8594 3.3560 3.3560 3.6070 3.6070 8.8877 8.8877 9.1873 9.1873 13.3451 13.3451 14.5434 14.5434 16.0749 16.0749 16.5014 16.5014 k = 0.3510 0.5776 0.2449 ( 1510 PWs) bands (ev): -24.7530 -24.7530 -14.2789 -14.2789 -7.8959 -7.8959 -6.8863 -6.8863 -6.3333 -6.3333 -4.3436 -4.3436 2.8363 2.8363 3.3259 3.3259 3.5819 3.5819 8.8616 8.8616 9.1781 9.1781 13.4650 13.4650 14.5449 14.5449 16.0410 16.0410 16.5670 16.5670 k = 0.3455 0.5848 0.2540 ( 1518 PWs) bands (ev): -24.7512 -24.7512 -14.2878 -14.2878 -7.8774 -7.8774 -6.8752 -6.8752 -6.3277 -6.3277 -4.3618 -4.3618 2.8119 2.8119 3.2977 3.2977 3.5576 3.5576 8.8349 8.8349 9.1681 9.1681 13.5856 13.5856 14.5466 14.5466 16.0109 16.0109 16.6244 16.6244 k = 0.3400 0.5920 0.2630 ( 1509 PWs) bands (ev): -24.7494 -24.7494 -14.2964 -14.2964 -7.8588 -7.8588 -6.8636 -6.8636 -6.3221 -6.3221 -4.3804 -4.3804 2.7863 2.7863 3.2715 3.2715 3.5341 3.5341 8.8078 8.8078 9.1574 9.1574 13.7067 13.7067 14.5487 14.5487 15.9845 15.9845 16.6730 16.6730 k = 0.3345 0.5992 0.2721 ( 1509 PWs) bands (ev): -24.7477 -24.7477 -14.3048 -14.3048 -7.8400 -7.8400 -6.8517 -6.8517 -6.3165 -6.3165 -4.3993 -4.3993 2.7595 2.7595 3.2474 3.2474 3.5116 3.5116 8.7804 8.7804 9.1459 9.1459 13.8274 13.8274 14.5513 14.5513 15.9617 15.9617 16.7123 16.7123 k = 0.3290 0.6064 0.2812 ( 1509 PWs) bands (ev): -24.7462 -24.7462 -14.3129 -14.3129 -7.8212 -7.8212 -6.8395 -6.8395 -6.3110 -6.3110 -4.4184 -4.4184 2.7318 2.7318 3.2252 3.2252 3.4900 3.4900 8.7526 8.7526 9.1337 9.1337 13.9474 13.9474 14.5545 14.5545 15.9423 15.9423 16.7423 16.7423 k = 0.3234 0.6136 0.2902 ( 1513 PWs) bands (ev): -24.7447 -24.7447 -14.3207 -14.3207 -7.8024 -7.8024 -6.8270 -6.8270 -6.3056 -6.3056 -4.4377 -4.4377 2.7033 2.7033 3.2051 3.2051 3.4697 3.4697 8.7246 8.7246 9.1206 9.1206 14.0661 14.0661 14.5586 14.5586 15.9261 15.9261 16.7632 16.7632 k = 0.3234 0.6136 0.2902 ( 1513 PWs) bands (ev): -24.7447 -24.7447 -14.3207 -14.3207 -7.8024 -7.8024 -6.8270 -6.8270 -6.3056 -6.3056 -4.4377 -4.4377 2.7033 2.7033 3.2051 3.2051 3.4697 3.4697 8.7246 8.7246 9.1206 9.1206 14.0661 14.0661 14.5586 14.5586 15.9261 15.9261 16.7632 16.7632 k = 0.3119 0.6102 0.2945 ( 1512 PWs) bands (ev): -24.7441 -24.7441 -14.3243 -14.3243 -7.7928 -7.7928 -6.8205 -6.8205 -6.3030 -6.3030 -4.4484 -4.4484 2.6906 2.6906 3.1960 3.1960 3.4604 3.4604 8.7112 8.7112 9.1139 9.1139 14.1214 14.1214 14.5575 14.5575 15.9126 15.9126 16.7773 16.7773 k = 0.3003 0.6068 0.2989 ( 1514 PWs) bands (ev): -24.7436 -24.7436 -14.3280 -14.3280 -7.7819 -7.7819 -6.8131 -6.8131 -6.3003 -6.3003 -4.4620 -4.4620 2.6800 2.6800 3.1868 3.1868 3.4515 3.4515 8.6977 8.6977 9.1065 9.1065 14.1745 14.1745 14.5507 14.5507 15.8860 15.8860 16.8040 16.8040 k = 0.2888 0.6033 0.3032 ( 1510 PWs) bands (ev): -24.7431 -24.7431 -14.3316 -14.3316 -7.7697 -7.7697 -6.8047 -6.8047 -6.2977 -6.2977 -4.4785 -4.4785 2.6714 2.6714 3.1777 3.1777 3.4428 3.4428 8.6842 8.6842 9.0986 9.0986 14.2231 14.2231 14.5407 14.5407 15.8483 15.8483 16.8409 16.8409 k = 0.2772 0.5999 0.3075 ( 1514 PWs) bands (ev): -24.7426 -24.7426 -14.3352 -14.3352 -7.7564 -7.7564 -6.7954 -6.7954 -6.2949 -6.2949 -4.4979 -4.4979 2.6650 2.6650 3.1685 3.1685 3.4345 3.4345 8.6710 8.6710 9.0902 9.0902 14.2628 14.2628 14.5321 14.5321 15.8025 15.8025 16.8765 16.8765 k = 0.2657 0.5965 0.3118 ( 1514 PWs) bands (ev): -24.7423 -24.7423 -14.3388 -14.3388 -7.7421 -7.7421 -6.7851 -6.7851 -6.2922 -6.2922 -4.5201 -4.5201 2.6607 2.6607 3.1593 3.1593 3.4264 3.4264 8.6580 8.6580 9.0815 9.0815 14.2865 14.2865 14.5321 14.5321 15.7516 15.7516 16.8797 16.8797 k = 0.2541 0.5931 0.3161 ( 1518 PWs) bands (ev): -24.7419 -24.7419 -14.3424 -14.3424 -7.7269 -7.7269 -6.7737 -6.7737 -6.2894 -6.2894 -4.5449 -4.5449 2.6586 2.6586 3.1501 3.1501 3.4187 3.4187 8.6454 8.6454 9.0725 9.0725 14.2871 14.2871 14.5480 14.5480 15.6985 15.6985 16.8653 16.8653 k = 0.2426 0.5896 0.3204 ( 1520 PWs) bands (ev): -24.7416 -24.7416 -14.3459 -14.3459 -7.7109 -7.7109 -6.7613 -6.7613 -6.2867 -6.2867 -4.5723 -4.5723 2.6584 2.6584 3.1408 3.1408 3.4112 3.4112 8.6332 8.6332 9.0633 9.0633 14.2651 14.2651 14.5796 14.5796 15.6456 15.6456 16.8474 16.8474 k = 0.2310 0.5862 0.3247 ( 1518 PWs) bands (ev): -24.7414 -24.7414 -14.3494 -14.3494 -7.6943 -7.6943 -6.7477 -6.7477 -6.2839 -6.2839 -4.6021 -4.6021 2.6603 2.6603 3.1315 3.1315 3.4041 3.4041 8.6216 8.6216 9.0541 9.0541 14.2268 14.2268 14.6206 14.6206 15.5947 15.5947 16.8282 16.8282 k = 0.2195 0.5828 0.3290 ( 1515 PWs) bands (ev): -24.7412 -24.7412 -14.3528 -14.3528 -7.6772 -7.6772 -6.7330 -6.7330 -6.2812 -6.2812 -4.6342 -4.6342 2.6641 2.6641 3.1221 3.1221 3.3972 3.3972 8.6106 8.6106 9.0448 9.0448 14.1781 14.1781 14.6656 14.6656 15.5473 15.5473 16.8084 16.8084 k = 0.2079 0.5794 0.3334 ( 1517 PWs) bands (ev): -24.7410 -24.7410 -14.3561 -14.3561 -7.6599 -7.6599 -6.7172 -6.7172 -6.2785 -6.2785 -4.6683 -4.6683 2.6696 2.6696 3.1127 3.1127 3.3907 3.3907 8.6002 8.6002 9.0356 9.0356 14.1224 14.1224 14.7110 14.7110 15.5045 15.5045 16.7883 16.7883 k = 0.1964 0.5760 0.3377 ( 1516 PWs) bands (ev): -24.7409 -24.7409 -14.3594 -14.3594 -7.6424 -7.6424 -6.7002 -6.7002 -6.2758 -6.2758 -4.7043 -4.7043 2.6767 2.6767 3.1032 3.1032 3.3845 3.3845 8.5905 8.5905 9.0265 9.0265 14.0622 14.0622 14.7546 14.7546 15.4676 15.4676 16.7681 16.7681 k = 0.1848 0.5725 0.3420 ( 1514 PWs) bands (ev): -24.7408 -24.7408 -14.3625 -14.3625 -7.6250 -7.6250 -6.6821 -6.6821 -6.2732 -6.2732 -4.7418 -4.7418 2.6854 2.6854 3.0937 3.0937 3.3786 3.3786 8.5815 8.5815 9.0175 9.0175 13.9991 13.9991 14.7945 14.7945 15.4375 15.4375 16.7480 16.7480 k = 0.1733 0.5691 0.3463 ( 1512 PWs) bands (ev): -24.7407 -24.7407 -14.3655 -14.3655 -7.6078 -7.6078 -6.6628 -6.6628 -6.2706 -6.2706 -4.7807 -4.7807 2.6954 2.6954 3.0840 3.0840 3.3730 3.3730 8.5733 8.5733 9.0089 9.0089 13.9345 13.9345 14.8292 14.8292 15.4152 15.4152 16.7282 16.7282 k = 0.1617 0.5657 0.3506 ( 1514 PWs) bands (ev): -24.7406 -24.7406 -14.3685 -14.3685 -7.5909 -7.5909 -6.6426 -6.6426 -6.2681 -6.2681 -4.8206 -4.8206 2.7066 2.7066 3.0743 3.0743 3.3678 3.3678 8.5657 8.5657 9.0005 9.0005 13.8695 13.8695 14.8574 14.8574 15.4013 15.4013 16.7089 16.7089 k = 0.1502 0.5623 0.3549 ( 1513 PWs) bands (ev): -24.7406 -24.7406 -14.3712 -14.3712 -7.5746 -7.5746 -6.6214 -6.6214 -6.2656 -6.2656 -4.8612 -4.8612 2.7188 2.7188 3.0645 3.0645 3.3629 3.3629 8.5589 8.5589 8.9925 8.9925 13.8051 13.8051 14.8782 14.8782 15.3963 15.3963 16.6902 16.6902 k = 0.1386 0.5588 0.3592 ( 1509 PWs) bands (ev): -24.7406 -24.7406 -14.3738 -14.3738 -7.5590 -7.5590 -6.5993 -6.5993 -6.2633 -6.2633 -4.9020 -4.9020 2.7320 2.7320 3.0545 3.0545 3.3583 3.3583 8.5528 8.5528 8.9849 8.9849 13.7423 13.7423 14.8914 14.8914 15.4000 15.4000 16.6722 16.6722 k = 0.1271 0.5554 0.3635 ( 1507 PWs) bands (ev): -24.7406 -24.7406 -14.3763 -14.3763 -7.5443 -7.5443 -6.5767 -6.5767 -6.2609 -6.2609 -4.9429 -4.9429 2.7458 2.7458 3.0444 3.0444 3.3541 3.3541 8.5474 8.5474 8.9778 8.9778 13.6817 13.6817 14.8978 14.8978 15.4110 15.4110 16.6552 16.6552 k = 0.1155 0.5520 0.3678 ( 1507 PWs) bands (ev): -24.7406 -24.7406 -14.3786 -14.3786 -7.5304 -7.5304 -6.5538 -6.5538 -6.2587 -6.2587 -4.9831 -4.9831 2.7601 2.7601 3.0341 3.0341 3.3502 3.3502 8.5427 8.5427 8.9712 8.9712 13.6242 13.6242 14.8985 14.8985 15.4277 15.4277 16.6392 16.6392 k = 0.1040 0.5486 0.3722 ( 1515 PWs) bands (ev): -24.7406 -24.7406 -14.3807 -14.3807 -7.5177 -7.5177 -6.5309 -6.5309 -6.2564 -6.2564 -5.0224 -5.0224 2.7748 2.7748 3.0236 3.0236 3.3466 3.3466 8.5385 8.5385 8.9650 8.9650 13.5703 13.5703 14.8952 14.8952 15.4482 15.4482 16.6243 16.6243 k = 0.0924 0.5452 0.3765 ( 1513 PWs) bands (ev): -24.7406 -24.7406 -14.3826 -14.3826 -7.5061 -7.5061 -6.5083 -6.5083 -6.2543 -6.2543 -5.0601 -5.0601 2.7898 2.7898 3.0129 3.0129 3.3434 3.3434 8.5350 8.5350 8.9595 8.9595 13.5207 13.5207 14.8894 14.8894 15.4707 15.4707 16.6107 16.6107 k = 0.0809 0.5417 0.3808 ( 1511 PWs) bands (ev): -24.7406 -24.7406 -14.3843 -14.3843 -7.4957 -7.4957 -6.4865 -6.4865 -6.2522 -6.2522 -5.0957 -5.0957 2.8049 2.8049 3.0021 3.0021 3.3406 3.3406 8.5320 8.5320 8.9545 8.9545 13.4757 13.4757 14.8822 14.8822 15.4934 15.4934 16.5985 16.5985 k = 0.0693 0.5383 0.3851 ( 1513 PWs) bands (ev): -24.7407 -24.7407 -14.3858 -14.3858 -7.4866 -7.4866 -6.4661 -6.4661 -6.2502 -6.2502 -5.1286 -5.1286 2.8199 2.8199 2.9910 2.9910 3.3382 3.3382 8.5296 8.5296 8.9502 8.9502 13.4360 13.4360 14.8746 14.8746 15.5152 15.5152 16.5877 16.5877 k = 0.0578 0.5349 0.3894 ( 1513 PWs) bands (ev): -24.7407 -24.7407 -14.3870 -14.3870 -7.4788 -7.4788 -6.4476 -6.4476 -6.2482 -6.2482 -5.1580 -5.1580 2.8347 2.8347 2.9798 2.9798 3.3361 3.3361 8.5275 8.5275 8.9465 8.9465 13.4017 13.4017 14.8672 14.8672 15.5351 15.5351 16.5784 16.5784 k = 0.0462 0.5315 0.3937 ( 1513 PWs) bands (ev): -24.7407 -24.7407 -14.3881 -14.3881 -7.4724 -7.4724 -6.4315 -6.4315 -6.2464 -6.2464 -5.1833 -5.1833 2.8491 2.8491 2.9685 2.9685 3.3344 3.3344 8.5260 8.5260 8.9434 8.9434 13.3732 13.3732 14.8607 14.8607 15.5522 15.5522 16.5708 16.5708 k = 0.0347 0.5281 0.3980 ( 1513 PWs) bands (ev): -24.7407 -24.7407 -14.3889 -14.3889 -7.4674 -7.4674 -6.4184 -6.4184 -6.2448 -6.2448 -5.2038 -5.2038 2.8627 2.8627 2.9573 2.9573 3.3331 3.3331 8.5248 8.5248 8.9410 8.9410 13.3508 13.3508 14.8553 14.8553 15.5661 15.5661 16.5647 16.5647 k = 0.0231 0.5246 0.4023 ( 1515 PWs) bands (ev): -24.7407 -24.7407 -14.3895 -14.3895 -7.4639 -7.4639 -6.4087 -6.4087 -6.2436 -6.2436 -5.2190 -5.2190 2.8751 2.8751 2.9467 2.9467 3.3321 3.3321 8.5239 8.5239 8.9393 8.9393 13.3347 13.3347 14.8512 14.8512 15.5764 15.5764 16.5604 16.5604 k = 0.0116 0.5212 0.4066 ( 1510 PWs) bands (ev): -24.7407 -24.7407 -14.3899 -14.3899 -7.4617 -7.4617 -6.4027 -6.4027 -6.2427 -6.2427 -5.2283 -5.2283 2.8849 2.8849 2.9380 2.9380 3.3315 3.3315 8.5235 8.5235 8.9383 8.9383 13.3250 13.3250 14.8488 14.8488 15.5826 15.5826 16.5578 16.5578 k = 0.0000 0.5178 0.4110 ( 1506 PWs) bands (ev): -24.7407 -24.7407 -14.3900 -14.3900 -7.4610 -7.4610 -6.4007 -6.4007 -6.2424 -6.2424 -5.2314 -5.2314 2.8890 2.8890 2.9343 2.9343 3.3314 3.3314 8.5233 8.5233 8.9379 8.9379 13.3217 13.3217 14.8480 14.8480 15.5847 15.5847 16.5569 16.5569 k = 0.0000 0.5178 0.4110 ( 1506 PWs) bands (ev): -24.7407 -24.7407 -14.3900 -14.3900 -7.4610 -7.4610 -6.4007 -6.4007 -6.2424 -6.2424 -5.2314 -5.2314 2.8890 2.8890 2.9343 2.9343 3.3314 3.3314 8.5233 8.5233 8.9379 8.9379 13.3217 13.3217 14.8480 14.8480 15.5847 15.5847 16.5569 16.5569 k = 0.0056 0.5105 0.4201 ( 1508 PWs) bands (ev): -24.7407 -24.7407 -14.3897 -14.3897 -7.4614 -7.4614 -6.4010 -6.4010 -6.2435 -6.2435 -5.2313 -5.2313 2.8906 2.8906 2.9345 2.9345 3.3323 3.3323 8.5223 8.5223 8.9361 8.9361 13.3232 13.3232 14.8495 14.8495 15.5869 15.5869 16.5558 16.5558 k = 0.0111 0.5033 0.4292 ( 1512 PWs) bands (ev): -24.7405 -24.7405 -14.3890 -14.3890 -7.4628 -7.4628 -6.4020 -6.4020 -6.2465 -6.2465 -5.2309 -5.2309 2.8952 2.8952 2.9348 2.9348 3.3351 3.3351 8.5193 8.5193 8.9306 8.9306 13.3277 13.3277 14.8542 14.8542 15.5934 15.5934 16.5525 16.5525 k = 0.0167 0.4960 0.4384 ( 1514 PWs) bands (ev): -24.7401 -24.7401 -14.3878 -14.3878 -7.4651 -7.4651 -6.4037 -6.4037 -6.2514 -6.2514 -5.2302 -5.2302 2.9028 2.9028 2.9355 2.9355 3.3398 3.3398 8.5142 8.5142 8.9215 8.9215 13.3352 13.3352 14.8619 14.8619 15.6042 15.6042 16.5472 16.5472 k = 0.0222 0.4888 0.4475 ( 1512 PWs) bands (ev): -24.7397 -24.7397 -14.3862 -14.3862 -7.4682 -7.4682 -6.4060 -6.4060 -6.2584 -6.2584 -5.2292 -5.2292 2.9131 2.9131 2.9367 2.9367 3.3464 3.3464 8.5072 8.5072 8.9090 8.9090 13.3454 13.3454 14.8728 14.8728 15.6194 15.6194 16.5398 16.5398 k = 0.0278 0.4815 0.4566 ( 1512 PWs) bands (ev): -24.7391 -24.7391 -14.3841 -14.3841 -7.4723 -7.4723 -6.4090 -6.4090 -6.2672 -6.2672 -5.2280 -5.2280 2.9247 2.9247 2.9398 2.9398 3.3547 3.3547 8.4983 8.4983 8.8930 8.8930 13.3584 13.3584 14.8866 14.8866 15.6390 15.6390 16.5308 16.5308 k = 0.0333 0.4743 0.4657 ( 1514 PWs) bands (ev): -24.7383 -24.7383 -14.3815 -14.3815 -7.4773 -7.4773 -6.4125 -6.4125 -6.2778 -6.2778 -5.2266 -5.2266 2.9326 2.9326 2.9497 2.9497 3.3649 3.3649 8.4876 8.4876 8.8738 8.8738 13.3739 13.3739 14.9035 14.9035 15.6629 15.6629 16.5202 16.5202 k = 0.0389 0.4670 0.4749 ( 1512 PWs) bands (ev): -24.7375 -24.7375 -14.3785 -14.3785 -7.4831 -7.4831 -6.4167 -6.4167 -6.2901 -6.2901 -5.2248 -5.2248 2.9355 2.9355 2.9675 2.9675 3.3767 3.3767 8.4750 8.4750 8.8516 8.8516 13.3917 13.3917 14.9234 14.9234 15.6913 15.6913 16.5083 16.5083 k = 0.0444 0.4598 0.4840 ( 1512 PWs) bands (ev): -24.7365 -24.7365 -14.3750 -14.3750 -7.4899 -7.4899 -6.4214 -6.4214 -6.3040 -6.3040 -5.2229 -5.2229 2.9373 2.9373 2.9893 2.9893 3.3902 3.3902 8.4608 8.4608 8.8265 8.8265 13.4116 13.4116 14.9462 14.9462 15.7240 15.7240 16.4954 16.4954 k = 0.0500 0.4526 0.4931 ( 1514 PWs) bands (ev): -24.7354 -24.7354 -14.3712 -14.3712 -7.4976 -7.4976 -6.4267 -6.4267 -6.3193 -6.3193 -5.2207 -5.2207 2.9388 2.9388 3.0140 3.0140 3.4052 3.4052 8.4449 8.4449 8.7988 8.7988 13.4335 13.4335 14.9719 14.9719 15.7612 15.7612 16.4816 16.4816 k = 0.0556 0.4453 0.5023 ( 1514 PWs) bands (ev): -24.7342 -24.7342 -14.3669 -14.3669 -7.5061 -7.5061 -6.4326 -6.4326 -6.3359 -6.3359 -5.2183 -5.2183 2.9404 2.9404 3.0412 3.0412 3.4218 3.4218 8.4275 8.4275 8.7687 8.7687 13.4569 13.4569 15.0003 15.0003 15.8028 15.8028 16.4673 16.4673 k = 0.0611 0.4381 0.5114 ( 1514 PWs) bands (ev): -24.7330 -24.7330 -14.3623 -14.3623 -7.5155 -7.5155 -6.4392 -6.4392 -6.3535 -6.3535 -5.2157 -5.2157 2.9421 2.9421 3.0707 3.0707 3.4397 3.4397 8.4087 8.4087 8.7365 8.7365 13.4818 13.4818 15.0314 15.0314 15.8489 15.8489 16.4527 16.4527 k = 0.0667 0.4308 0.5205 ( 1516 PWs) bands (ev): -24.7316 -24.7316 -14.3573 -14.3573 -7.5257 -7.5257 -6.4467 -6.4467 -6.3716 -6.3716 -5.2129 -5.2129 2.9438 2.9438 3.1024 3.1024 3.4590 3.4590 8.3886 8.3886 8.7025 8.7025 13.5078 13.5078 15.0651 15.0651 15.8995 15.8995 16.4378 16.4378 k = 0.0722 0.4236 0.5297 ( 1516 PWs) bands (ev): -24.7301 -24.7301 -14.3519 -14.3519 -7.5368 -7.5368 -6.4556 -6.4556 -6.3898 -6.3898 -5.2099 -5.2099 2.9457 2.9457 3.1359 3.1359 3.4794 3.4794 8.3673 8.3673 8.6667 8.6667 13.5347 13.5347 15.1012 15.1012 15.9546 15.9546 16.4229 16.4229 k = 0.0778 0.4163 0.5388 ( 1518 PWs) bands (ev): -24.7285 -24.7285 -14.3463 -14.3463 -7.5486 -7.5486 -6.4663 -6.4663 -6.4072 -6.4072 -5.2068 -5.2068 2.9477 2.9477 3.1711 3.1711 3.5010 3.5010 8.3450 8.3450 8.6296 8.6296 13.5623 13.5623 15.1397 15.1397 16.0142 16.0142 16.4082 16.4082 k = 0.0833 0.4091 0.5479 ( 1516 PWs) bands (ev): -24.7269 -24.7269 -14.3403 -14.3403 -7.5612 -7.5612 -6.4799 -6.4799 -6.4228 -6.4228 -5.2035 -5.2035 2.9497 2.9497 3.2078 3.2078 3.5236 3.5236 8.3218 8.3218 8.5914 8.5914 13.5903 13.5903 15.1803 15.1803 16.0783 16.0783 16.3938 16.3938 k = 0.0889 0.4018 0.5571 ( 1516 PWs) bands (ev): -24.7251 -24.7251 -14.3341 -14.3341 -7.5745 -7.5745 -6.4969 -6.4969 -6.4357 -6.4357 -5.2001 -5.2001 2.9518 2.9518 3.2458 3.2458 3.5471 3.5471 8.2977 8.2977 8.5523 8.5523 13.6186 13.6186 15.2229 15.2229 16.1468 16.1468 16.3798 16.3798 k = 0.0944 0.3946 0.5662 ( 1514 PWs) bands (ev): -24.7234 -24.7234 -14.3276 -14.3276 -7.5885 -7.5885 -6.5170 -6.5170 -6.4461 -6.4461 -5.1966 -5.1966 2.9540 2.9540 3.2848 3.2848 3.5713 3.5713 8.2731 8.2731 8.5126 8.5126 13.6469 13.6469 15.2673 15.2673 16.2195 16.2195 16.3666 16.3666 k = 0.1000 0.3873 0.5753 ( 1516 PWs) bands (ev): -24.7215 -24.7215 -14.3210 -14.3210 -7.6031 -7.6031 -6.5393 -6.5393 -6.4547 -6.4547 -5.1929 -5.1929 2.9563 2.9563 3.3247 3.3247 3.5962 3.5962 8.2479 8.2479 8.4724 8.4724 13.6752 13.6752 15.3132 15.3132 16.2949 16.2949 16.3558 16.3558 k = 0.1056 0.3801 0.5845 ( 1514 PWs) bands (ev): -24.7197 -24.7197 -14.3141 -14.3141 -7.6182 -7.6182 -6.5632 -6.5632 -6.4620 -6.4620 -5.1892 -5.1892 2.9587 2.9587 3.3652 3.3652 3.6216 3.6216 8.2223 8.2223 8.4320 8.4320 13.7032 13.7032 15.3606 15.3606 16.3339 16.3339 16.3864 16.3864 k = 0.1111 0.3728 0.5936 ( 1516 PWs) bands (ev): -24.7178 -24.7178 -14.3071 -14.3071 -7.6338 -7.6338 -6.5881 -6.5881 -6.4684 -6.4684 -5.1855 -5.1855 2.9611 2.9611 3.4061 3.4061 3.6475 3.6475 8.1965 8.1965 8.3916 8.3916 13.7308 13.7308 15.4090 15.4090 16.3250 16.3250 16.4699 16.4699 k = 0.1167 0.3656 0.6027 ( 1516 PWs) bands (ev): -24.7158 -24.7158 -14.3000 -14.3000 -7.6497 -7.6497 -6.6135 -6.6135 -6.4742 -6.4742 -5.1816 -5.1816 2.9635 2.9635 3.4471 3.4471 3.6736 3.6736 8.1706 8.1706 8.3514 8.3514 13.7579 13.7579 15.4583 15.4583 16.3140 16.3140 16.5605 16.5605 k = 0.1222 0.3583 0.6119 ( 1516 PWs) bands (ev): -24.7139 -24.7139 -14.2928 -14.2928 -7.6660 -7.6660 -6.6393 -6.6393 -6.4794 -6.4794 -5.1778 -5.1778 2.9660 2.9660 3.4882 3.4882 3.6999 3.6999 8.1448 8.1448 8.3117 8.3117 13.7844 13.7844 15.5082 15.5082 16.3033 16.3033 16.6558 16.6558 k = 0.1278 0.3511 0.6210 ( 1518 PWs) bands (ev): -24.7119 -24.7119 -14.2856 -14.2856 -7.6825 -7.6825 -6.6651 -6.6651 -6.4841 -6.4841 -5.1739 -5.1739 2.9685 2.9685 3.5289 3.5289 3.7263 3.7263 8.1191 8.1191 8.2725 8.2725 13.8102 13.8102 15.5584 15.5584 16.2930 16.2930 16.7554 16.7554 k = 0.1333 0.3438 0.6301 ( 1516 PWs) bands (ev): -24.7100 -24.7100 -14.2783 -14.2783 -7.6991 -7.6991 -6.6909 -6.6909 -6.4884 -6.4884 -5.1701 -5.1701 2.9710 2.9710 3.5692 3.5692 3.7527 3.7527 8.0936 8.0936 8.2340 8.2340 13.8352 13.8352 15.6088 15.6088 16.2834 16.2834 16.8585 16.8585 k = 0.1389 0.3366 0.6393 ( 1518 PWs) bands (ev): -24.7080 -24.7080 -14.2711 -14.2711 -7.7158 -7.7158 -6.7164 -6.7164 -6.4924 -6.4924 -5.1663 -5.1663 2.9735 2.9735 3.6088 3.6088 3.7788 3.7788 8.0686 8.0686 8.1965 8.1965 13.8593 13.8593 15.6589 15.6589 16.2743 16.2743 16.9584 16.9584 k = 0.1444 0.3293 0.6484 ( 1518 PWs) bands (ev): -24.7061 -24.7061 -14.2639 -14.2639 -7.7324 -7.7324 -6.7415 -6.7415 -6.4960 -6.4960 -5.1625 -5.1625 2.9760 2.9760 3.6475 3.6475 3.8048 3.8048 8.0441 8.0441 8.1599 8.1599 13.8826 13.8826 15.7086 15.7086 16.2659 16.2659 16.9446 16.9446 k = 0.1500 0.3221 0.6575 ( 1516 PWs) bands (ev): -24.7042 -24.7042 -14.2569 -14.2569 -7.7489 -7.7489 -6.7661 -6.7661 -6.4992 -6.4992 -5.1588 -5.1588 2.9784 2.9784 3.6851 3.6851 3.8304 3.8304 8.0202 8.0202 8.1246 8.1246 13.9049 13.9049 15.7576 15.7576 16.2581 16.2581 16.8875 16.8875 k = 0.1556 0.3148 0.6667 ( 1516 PWs) bands (ev): -24.7024 -24.7024 -14.2499 -14.2499 -7.7652 -7.7652 -6.7901 -6.7901 -6.5022 -6.5022 -5.1552 -5.1552 2.9808 2.9808 3.7214 3.7214 3.8556 3.8556 7.9970 7.9970 8.0906 8.0906 13.9263 13.9263 15.8055 15.8055 16.2509 16.2509 16.8304 16.8304 k = 0.1611 0.3076 0.6758 ( 1514 PWs) bands (ev): -24.7006 -24.7006 -14.2431 -14.2431 -7.7811 -7.7811 -6.8133 -6.8133 -6.5048 -6.5048 -5.1516 -5.1516 2.9831 2.9831 3.7563 3.7563 3.8802 3.8802 7.9746 7.9746 8.0580 8.0580 13.9466 13.9466 15.8523 15.8523 16.2443 16.2443 16.7748 16.7748 k = 0.1667 0.3003 0.6849 ( 1512 PWs) bands (ev): -24.6989 -24.6989 -14.2366 -14.2366 -7.7965 -7.7965 -6.8356 -6.8356 -6.5072 -6.5072 -5.1482 -5.1482 2.9854 2.9854 3.7894 3.7894 3.9043 3.9043 7.9532 7.9532 8.0269 8.0269 13.9658 13.9658 15.8975 15.8975 16.2383 16.2383 16.7212 16.7212 k = 0.1722 0.2931 0.6941 ( 1516 PWs) bands (ev): -24.6972 -24.6972 -14.2302 -14.2302 -7.8115 -7.8115 -6.8570 -6.8570 -6.5093 -6.5093 -5.1449 -5.1449 2.9876 2.9876 3.8207 3.8207 3.9276 3.9276 7.9327 7.9327 7.9975 7.9975 13.9839 13.9839 15.9410 15.9410 16.2330 16.2330 16.6699 16.6699 k = 0.1778 0.2858 0.7032 ( 1512 PWs) bands (ev): -24.6956 -24.6956 -14.2242 -14.2242 -7.8258 -7.8258 -6.8773 -6.8773 -6.5112 -6.5112 -5.1418 -5.1418 2.9897 2.9897 3.8500 3.8500 3.9503 3.9503 7.9133 7.9133 7.9698 7.9698 14.0010 14.0010 15.9826 15.9826 16.2283 16.2283 16.6212 16.6212 k = 0.1833 0.2786 0.7123 ( 1514 PWs) bands (ev): -24.6941 -24.6941 -14.2184 -14.2184 -7.8395 -7.8395 -6.8965 -6.8965 -6.5128 -6.5128 -5.1388 -5.1388 2.9917 2.9917 3.8772 3.8772 3.9720 3.9720 7.8950 7.8950 7.9439 7.9439 14.0168 14.0168 16.0220 16.0220 16.2242 16.2242 16.5750 16.5750 k = 0.1889 0.2713 0.7215 ( 1510 PWs) bands (ev): -24.6927 -24.6927 -14.2130 -14.2130 -7.8523 -7.8523 -6.9144 -6.9144 -6.5142 -6.5142 -5.1360 -5.1360 2.9936 2.9936 3.9022 3.9022 3.9928 3.9928 7.8780 7.8780 7.9199 7.9199 14.0315 14.0315 16.0591 16.0591 16.2208 16.2208 16.5318 16.5318 k = 0.1944 0.2641 0.7306 ( 1516 PWs) bands (ev): -24.6914 -24.6914 -14.2079 -14.2079 -7.8644 -7.8644 -6.9310 -6.9310 -6.5155 -6.5155 -5.1335 -5.1335 2.9953 2.9953 3.9249 3.9249 4.0125 4.0125 7.8621 7.8621 7.8978 7.8978 14.0450 14.0450 16.0935 16.0935 16.2181 16.2181 16.4915 16.4915 k = 0.2000 0.2569 0.7397 ( 1516 PWs) bands (ev): -24.6902 -24.6902 -14.2032 -14.2032 -7.8755 -7.8755 -6.9463 -6.9463 -6.5165 -6.5165 -5.1311 -5.1311 2.9969 2.9969 3.9453 3.9453 4.0309 4.0309 7.8475 7.8475 7.8779 7.8779 14.0573 14.0573 16.1251 16.1251 16.2161 16.2161 16.4542 16.4542 k = 0.2056 0.2496 0.7489 ( 1516 PWs) bands (ev): -24.6891 -24.6891 -14.1990 -14.1990 -7.8856 -7.8856 -6.9601 -6.9601 -6.5175 -6.5175 -5.1289 -5.1289 2.9984 2.9984 3.9634 3.9634 4.0480 4.0480 7.8342 7.8342 7.8600 7.8600 14.0683 14.0683 16.1536 16.1536 16.2151 16.2151 16.4201 16.4201 k = 0.2111 0.2424 0.7580 ( 1516 PWs) bands (ev): -24.6881 -24.6881 -14.1952 -14.1952 -7.8946 -7.8946 -6.9725 -6.9725 -6.5182 -6.5182 -5.1270 -5.1270 2.9997 2.9997 3.9793 3.9793 4.0635 4.0635 7.8222 7.8222 7.8443 7.8443 14.0781 14.0781 16.1783 16.1783 16.2154 16.2154 16.3893 16.3893 k = 0.2167 0.2351 0.7671 ( 1518 PWs) bands (ev): -24.6872 -24.6872 -14.1918 -14.1918 -7.9026 -7.9026 -6.9832 -6.9832 -6.5189 -6.5189 -5.1253 -5.1253 3.0009 3.0009 3.9930 3.9930 4.0772 4.0772 7.8115 7.8115 7.8308 7.8308 14.0866 14.0866 16.1976 16.1976 16.2188 16.2188 16.3618 16.3618 k = 0.2222 0.2279 0.7762 ( 1520 PWs) bands (ev): -24.6865 -24.6865 -14.1890 -14.1890 -7.9094 -7.9094 -6.9924 -6.9924 -6.5194 -6.5194 -5.1238 -5.1238 3.0019 3.0019 4.0044 4.0044 4.0891 4.0891 7.8022 7.8022 7.8196 7.8196 14.0938 14.0938 16.2075 16.2075 16.2290 16.2290 16.3376 16.3376 k = 0.2278 0.2206 0.7854 ( 1518 PWs) bands (ev): -24.6859 -24.6859 -14.1866 -14.1866 -7.9150 -7.9150 -7.0000 -7.0000 -6.5198 -6.5198 -5.1226 -5.1226 3.0027 3.0027 4.0138 4.0138 4.0990 4.0990 7.7944 7.7944 7.8105 7.8105 14.0998 14.0998 16.2117 16.2117 16.2424 16.2424 16.3168 16.3168 k = 0.2333 0.2134 0.7945 ( 1518 PWs) bands (ev): -24.6854 -24.6854 -14.1847 -14.1847 -7.9195 -7.9195 -7.0059 -7.0059 -6.5201 -6.5201 -5.1217 -5.1217 3.0033 3.0033 4.0210 4.0210 4.1068 4.1068 7.7882 7.7882 7.8037 7.8037 14.1044 14.1044 16.2148 16.2148 16.2537 16.2537 16.2998 16.2998 k = 0.2389 0.2061 0.8036 ( 1520 PWs) bands (ev): -24.6851 -24.6851 -14.1834 -14.1834 -7.9226 -7.9226 -7.0102 -7.0102 -6.5203 -6.5203 -5.1210 -5.1210 3.0038 3.0038 4.0262 4.0262 4.1124 4.1124 7.7836 7.7836 7.7988 7.7988 14.1077 14.1077 16.2179 16.2179 16.2616 16.2616 16.2871 16.2871 k = 0.2444 0.1989 0.8128 ( 1516 PWs) bands (ev): -24.6848 -24.6848 -14.1826 -14.1826 -7.9245 -7.9245 -7.0127 -7.0127 -6.5205 -6.5205 -5.1206 -5.1206 3.0041 3.0041 4.0293 4.0293 4.1158 4.1158 7.7808 7.7808 7.7960 7.7960 14.1097 14.1097 16.2205 16.2205 16.2651 16.2651 16.2800 16.2800 k = 0.2500 0.1916 0.8219 ( 1516 PWs) bands (ev): -24.6848 -24.6848 -14.1823 -14.1823 -7.9252 -7.9252 -7.0136 -7.0136 -6.5205 -6.5205 -5.1204 -5.1204 3.0042 3.0042 4.0303 4.0303 4.1169 4.1169 7.7798 7.7798 7.7950 7.7950 14.1104 14.1104 16.2215 16.2215 16.2654 16.2654 16.2784 16.2784 k = 0.2500 0.1916 0.8219 ( 1516 PWs) bands (ev): -24.6848 -24.6848 -14.1823 -14.1823 -7.9252 -7.9252 -7.0136 -7.0136 -6.5205 -6.5205 -5.1204 -5.1204 3.0042 3.0042 4.0303 4.0303 4.1169 4.1169 7.7798 7.7798 7.7950 7.7950 14.1104 14.1104 16.2215 16.2215 16.2654 16.2654 16.2784 16.2784 k = 0.2581 0.1978 0.8141 ( 1518 PWs) bands (ev): -24.6848 -24.6848 -14.1824 -14.1824 -7.9250 -7.9250 -7.0133 -7.0133 -6.5215 -6.5215 -5.1190 -5.1190 3.0031 3.0031 4.0292 4.0292 4.1175 4.1175 7.7330 7.7330 7.8425 7.8425 14.1132 14.1132 16.2206 16.2206 16.2601 16.2601 16.2861 16.2861 k = 0.2661 0.2040 0.8063 ( 1516 PWs) bands (ev): -24.6849 -24.6849 -14.1826 -14.1826 -7.9246 -7.9246 -7.0123 -7.0123 -6.5246 -6.5246 -5.1146 -5.1146 2.9999 2.9999 4.0263 4.0263 4.1189 4.1189 7.6805 7.6805 7.8969 7.8969 14.1217 14.1217 16.2168 16.2168 16.2553 16.2553 16.2995 16.2995 k = 0.2742 0.2102 0.7985 ( 1514 PWs) bands (ev): -24.6850 -24.6850 -14.1829 -14.1829 -7.9240 -7.9240 -7.0107 -7.0107 -6.5297 -6.5297 -5.1072 -5.1072 2.9947 2.9947 4.0222 4.0222 4.1205 4.1205 7.6293 7.6293 7.9515 7.9515 14.1358 14.1358 16.2099 16.2099 16.2548 16.2548 16.3151 16.3151 k = 0.2823 0.2163 0.7908 ( 1516 PWs) bands (ev): -24.6852 -24.6852 -14.1834 -14.1834 -7.9231 -7.9231 -7.0084 -7.0084 -6.5369 -6.5369 -5.0970 -5.0970 2.9875 2.9875 4.0172 4.0172 4.1220 4.1220 7.5795 7.5795 8.0060 8.0060 14.1554 14.1554 16.2008 16.2008 16.2579 16.2579 16.3325 16.3325 k = 0.2903 0.2225 0.7830 ( 1513 PWs) bands (ev): -24.6854 -24.6854 -14.1840 -14.1840 -7.9220 -7.9220 -7.0056 -7.0056 -6.5459 -6.5459 -5.0841 -5.0841 2.9785 2.9785 4.0118 4.0118 4.1229 4.1229 7.5314 7.5314 8.0602 8.0602 14.1806 14.1806 16.1907 16.1907 16.2636 16.2636 16.3517 16.3517 k = 0.2984 0.2287 0.7752 ( 1513 PWs) bands (ev): -24.6856 -24.6856 -14.1847 -14.1847 -7.9207 -7.9207 -7.0021 -7.0021 -6.5567 -6.5567 -5.0686 -5.0686 2.9677 2.9677 4.0060 4.0060 4.1231 4.1231 7.4852 7.4852 8.1140 8.1140 14.2111 14.2111 16.1802 16.1802 16.2713 16.2713 16.3726 16.3726 k = 0.3065 0.2349 0.7674 ( 1513 PWs) bands (ev): -24.6859 -24.6859 -14.1856 -14.1856 -7.9193 -7.9193 -6.9980 -6.9980 -6.5691 -6.5691 -5.0507 -5.0507 2.9555 2.9555 4.0001 4.0001 4.1224 4.1224 7.4411 7.4411 8.1673 8.1673 14.2468 14.2468 16.1694 16.1694 16.2810 16.2810 16.3953 16.3953 k = 0.3145 0.2411 0.7596 ( 1509 PWs) bands (ev): -24.6862 -24.6862 -14.1866 -14.1866 -7.9177 -7.9177 -6.9933 -6.9933 -6.5829 -6.5829 -5.0308 -5.0308 2.9418 2.9418 3.9941 3.9941 4.1206 4.1206 7.3992 7.3992 8.2198 8.2198 14.2876 14.2876 16.1585 16.1585 16.2924 16.2924 16.4197 16.4197 k = 0.3226 0.2473 0.7518 ( 1513 PWs) bands (ev): -24.6866 -24.6866 -14.1877 -14.1877 -7.9160 -7.9160 -6.9881 -6.9881 -6.5979 -6.5979 -5.0089 -5.0089 2.9268 2.9268 3.9882 3.9882 4.1177 4.1177 7.3598 7.3598 8.2714 8.2714 14.3333 14.3333 16.1475 16.1475 16.3056 16.3056 16.4458 16.4458 k = 0.3306 0.2534 0.7440 ( 1513 PWs) bands (ev): -24.6870 -24.6870 -14.1889 -14.1889 -7.9142 -7.9142 -6.9824 -6.9824 -6.6138 -6.6138 -4.9854 -4.9854 2.9109 2.9109 3.9824 3.9824 4.1136 4.1136 7.3230 7.3230 8.3220 8.3220 14.3836 14.3836 16.1362 16.1362 16.3204 16.3204 16.4735 16.4735 k = 0.3387 0.2596 0.7362 ( 1519 PWs) bands (ev): -24.6875 -24.6875 -14.1902 -14.1902 -7.9123 -7.9123 -6.9763 -6.9763 -6.6304 -6.6304 -4.9606 -4.9606 2.8940 2.8940 3.9766 3.9766 4.1083 4.1083 7.2890 7.2890 8.3714 8.3714 14.4383 14.4383 16.1248 16.1248 16.3368 16.3368 16.5028 16.5028 k = 0.3468 0.2658 0.7285 ( 1521 PWs) bands (ev): -24.6879 -24.6879 -14.1916 -14.1916 -7.9103 -7.9103 -6.9698 -6.9698 -6.6475 -6.6475 -4.9348 -4.9348 2.8765 2.8765 3.9710 3.9710 4.1017 4.1017 7.2579 7.2579 8.4195 8.4195 14.4971 14.4971 16.1133 16.1133 16.3548 16.3548 16.5334 16.5334 k = 0.3548 0.2720 0.7207 ( 1519 PWs) bands (ev): -24.6884 -24.6884 -14.1931 -14.1931 -7.9082 -7.9082 -6.9631 -6.9631 -6.6647 -6.6647 -4.9081 -4.9081 2.8586 2.8586 3.9656 3.9656 4.0939 4.0939 7.2300 7.2300 8.4662 8.4662 14.5597 14.5597 16.1015 16.1015 16.3743 16.3743 16.5653 16.5653 k = 0.3629 0.2782 0.7129 ( 1519 PWs) bands (ev): -24.6890 -24.6890 -14.1948 -14.1948 -7.9062 -7.9062 -6.9562 -6.9562 -6.6817 -6.6817 -4.8809 -4.8809 2.8404 2.8404 3.9602 3.9602 4.0848 4.0848 7.2052 7.2052 8.5113 8.5113 14.6258 14.6258 16.0896 16.0896 16.3952 16.3952 16.5980 16.5980 k = 0.3710 0.2843 0.7051 ( 1517 PWs) bands (ev): -24.6895 -24.6895 -14.1965 -14.1965 -7.9041 -7.9041 -6.9493 -6.9493 -6.6983 -6.6983 -4.8534 -4.8534 2.8222 2.8222 3.9549 3.9549 4.0745 4.0745 7.1839 7.1839 8.5547 8.5547 14.6950 14.6950 16.0776 16.0776 16.4173 16.4173 16.6313 16.6313 k = 0.3790 0.2905 0.6973 ( 1515 PWs) bands (ev): -24.6901 -24.6901 -14.1983 -14.1983 -7.9019 -7.9019 -6.9426 -6.9426 -6.7141 -6.7141 -4.8260 -4.8260 2.8041 2.8041 3.9497 3.9497 4.0630 4.0630 7.1661 7.1661 8.5963 8.5963 14.7668 14.7668 16.0655 16.0655 16.4404 16.4404 16.6646 16.6646 k = 0.3871 0.2967 0.6895 ( 1515 PWs) bands (ev): -24.6907 -24.6907 -14.2002 -14.2002 -7.8998 -7.8998 -6.9364 -6.9364 -6.7287 -6.7287 -4.7987 -4.7987 2.7864 2.7864 3.9445 3.9445 4.0503 4.0503 7.1519 7.1519 8.6360 8.6360 14.8406 14.8406 16.0534 16.0534 16.4645 16.4645 16.6971 16.6971 k = 0.3952 0.3029 0.6817 ( 1515 PWs) bands (ev): -24.6914 -24.6914 -14.2022 -14.2022 -7.8977 -7.8977 -6.9310 -6.9310 -6.7416 -6.7416 -4.7719 -4.7719 2.7694 2.7694 3.9391 3.9391 4.0365 4.0365 7.1415 7.1415 8.6737 8.6737 14.9159 14.9159 16.0414 16.0414 16.4894 16.4894 16.7280 16.7280 k = 0.4032 0.3091 0.6739 ( 1517 PWs) bands (ev): -24.6921 -24.6921 -14.2042 -14.2042 -7.8955 -7.8955 -6.9270 -6.9270 -6.7523 -6.7523 -4.7457 -4.7457 2.7530 2.7530 3.9335 3.9335 4.0220 4.0220 7.1348 7.1348 8.7092 8.7092 14.9918 14.9918 16.0296 16.0296 16.5148 16.5148 16.7558 16.7558 k = 0.4113 0.3152 0.6661 ( 1515 PWs) bands (ev): -24.6928 -24.6928 -14.2064 -14.2064 -7.8934 -7.8934 -6.9246 -6.9246 -6.7602 -6.7602 -4.7205 -4.7205 2.7377 2.7377 3.9273 3.9273 4.0070 4.0070 7.1320 7.1320 8.7426 8.7426 15.0676 15.0676 16.0183 16.0183 16.5406 16.5406 16.7787 16.7787 k = 0.4194 0.3214 0.6584 ( 1513 PWs) bands (ev): -24.6935 -24.6935 -14.2085 -14.2085 -7.8913 -7.8913 -6.9244 -6.9244 -6.7649 -6.7649 -4.6962 -4.6962 2.7235 2.7235 3.9199 3.9199 3.9920 3.9920 7.1331 7.1331 8.7736 8.7736 15.1421 15.1421 16.0077 16.0077 16.5664 16.5664 16.7939 16.7939 k = 0.4274 0.3276 0.6506 ( 1516 PWs) bands (ev): -24.6943 -24.6943 -14.2108 -14.2108 -7.8891 -7.8891 -6.9263 -6.9263 -6.7662 -6.7662 -4.6732 -4.6732 2.7107 2.7107 3.9108 3.9108 3.9778 3.9778 7.1382 7.1382 8.8023 8.8023 15.2139 15.2139 15.9982 15.9982 16.5920 16.5920 16.7984 16.7984 k = 0.4355 0.3338 0.6428 ( 1517 PWs) bands (ev): -24.6951 -24.6951 -14.2131 -14.2131 -7.8870 -7.8870 -6.9303 -6.9303 -6.7643 -6.7643 -4.6516 -4.6516 2.6993 2.6993 3.8989 3.8989 3.9654 3.9654 7.1472 7.1472 8.8286 8.8286 15.2816 15.2816 15.9903 15.9903 16.6172 16.6172 16.7886 16.7886 k = 0.4435 0.3400 0.6350 ( 1519 PWs) bands (ev): -24.6960 -24.6960 -14.2154 -14.2154 -7.8848 -7.8848 -6.9358 -6.9358 -6.7595 -6.7595 -4.6316 -4.6316 2.6895 2.6895 3.8838 3.8838 3.9555 3.9555 7.1601 7.1601 8.8524 8.8524 15.3431 15.3431 15.9845 15.9845 16.6414 16.6414 16.7620 16.7620 k = 0.4516 0.3462 0.6272 ( 1519 PWs) bands (ev): -24.6968 -24.6968 -14.2178 -14.2178 -7.8826 -7.8826 -6.9423 -6.9423 -6.7524 -6.7524 -4.6132 -4.6132 2.6814 2.6814 3.8655 3.8655 3.9479 3.9479 7.1768 7.1768 8.8737 8.8737 15.3962 15.3962 15.9814 15.9814 16.6632 16.6632 16.7195 16.7195 k = 0.4597 0.3523 0.6194 ( 1523 PWs) bands (ev): -24.6977 -24.6977 -14.2203 -14.2203 -7.8803 -7.8803 -6.9492 -6.9492 -6.7435 -6.7435 -4.5966 -4.5966 2.6752 2.6752 3.8445 3.8445 3.9423 3.9423 7.1975 7.1975 8.8925 8.8925 15.4388 15.4388 15.9815 15.9815 16.6519 16.6519 16.6936 16.6936 k = 0.4677 0.3585 0.6116 ( 1521 PWs) bands (ev): -24.6987 -24.6987 -14.2227 -14.2227 -7.8780 -7.8780 -6.9562 -6.9562 -6.7332 -6.7332 -4.5819 -4.5819 2.6708 2.6708 3.8215 3.8215 3.9381 3.9381 7.2218 7.2218 8.9088 8.9088 15.4691 15.4691 15.9845 15.9845 16.5839 16.5839 16.7110 16.7110 k = 0.4758 0.3647 0.6038 ( 1521 PWs) bands (ev): -24.6997 -24.6997 -14.2252 -14.2252 -7.8755 -7.8755 -6.9629 -6.9629 -6.7218 -6.7218 -4.5691 -4.5691 2.6684 2.6684 3.7971 3.7971 3.9350 3.9350 7.2499 7.2499 8.9225 8.9225 15.4859 15.4859 15.9891 15.9891 16.5049 16.5049 16.7293 16.7293 k = 0.4839 0.3709 0.5961 ( 1519 PWs) bands (ev): -24.7007 -24.7007 -14.2277 -14.2277 -7.8729 -7.8729 -6.9691 -6.9691 -6.7097 -6.7097 -4.5584 -4.5584 2.6681 2.6681 3.7715 3.7715 3.9326 3.9326 7.2814 7.2814 8.9337 8.9337 15.4892 15.4892 15.9932 15.9932 16.4201 16.4201 16.7458 16.7458 k = 0.4919 0.3771 0.5883 ( 1516 PWs) bands (ev): -24.7017 -24.7017 -14.2301 -14.2301 -7.8702 -7.8702 -6.9745 -6.9745 -6.6969 -6.6969 -4.5497 -4.5497 2.6697 2.6697 3.7451 3.7451 3.9308 3.9308 7.3164 7.3164 8.9423 8.9423 15.4797 15.4797 15.9942 15.9942 16.3318 16.3318 16.7601 16.7601 k = 0.5000 0.3832 0.5805 ( 1512 PWs) bands (ev): -24.7028 -24.7028 -14.2326 -14.2326 -7.8672 -7.8672 -6.9790 -6.9790 -6.6837 -6.6837 -4.5432 -4.5432 2.6733 2.6733 3.7181 3.7181 3.9295 3.9295 7.3547 7.3547 8.9485 8.9485 15.4585 15.4585 15.9899 15.9899 16.2416 16.2416 16.7721 16.7721 k = 0.5000 0.3832 0.5805 ( 1512 PWs) bands (ev): -24.7028 -24.7028 -14.2326 -14.2326 -7.8672 -7.8672 -6.9790 -6.9790 -6.6837 -6.6837 -4.5432 -4.5432 2.6733 2.6733 3.7181 3.7181 3.9295 3.9295 7.3547 7.3547 8.9485 8.9485 15.4585 15.4585 15.9899 15.9899 16.2416 16.2416 16.7721 16.7721 k = 0.5000 0.3832 0.5676 ( 1510 PWs) bands (ev): -24.7048 -24.7048 -14.2366 -14.2366 -7.8625 -7.8625 -6.9859 -6.9859 -6.6612 -6.6612 -4.5339 -4.5339 2.6811 2.6811 3.6733 3.6733 3.9281 3.9281 7.4216 7.4216 8.9568 8.9568 15.4135 15.4135 15.9762 15.9762 16.0924 16.0924 16.7868 16.7868 k = 0.5000 0.3832 0.5547 ( 1514 PWs) bands (ev): -24.7068 -24.7068 -14.2403 -14.2403 -7.8586 -7.8586 -6.9928 -6.9928 -6.6384 -6.6384 -4.5241 -4.5241 2.6892 2.6892 3.6297 3.6297 3.9271 3.9271 7.4903 7.4903 8.9653 8.9653 15.3675 15.3675 15.9218 15.9218 15.9836 15.9836 16.7952 16.7952 k = 0.5000 0.3832 0.5418 ( 1510 PWs) bands (ev): -24.7088 -24.7088 -14.2437 -14.2437 -7.8555 -7.8555 -6.9996 -6.9996 -6.6154 -6.6154 -4.5137 -4.5137 2.6977 2.6977 3.5876 3.5876 3.9264 3.9264 7.5607 7.5607 8.9741 8.9741 15.3209 15.3209 15.7763 15.7763 15.9660 15.9660 16.7970 16.7970 k = 0.5000 0.3832 0.5289 ( 1510 PWs) bands (ev): -24.7110 -24.7110 -14.2468 -14.2468 -7.8533 -7.8533 -7.0062 -7.0062 -6.5925 -6.5925 -4.5029 -4.5029 2.7064 2.7064 3.5476 3.5476 3.9261 3.9261 7.6324 7.6324 8.9831 8.9831 15.2739 15.2739 15.6230 15.6230 15.9567 15.9567 16.7923 16.7923 k = 0.5000 0.3832 0.5160 ( 1506 PWs) bands (ev): -24.7132 -24.7132 -14.2494 -14.2494 -7.8522 -7.8522 -7.0124 -7.0124 -6.5700 -6.5700 -4.4917 -4.4917 2.7155 2.7155 3.5100 3.5100 3.9261 3.9261 7.7051 7.7051 8.9924 8.9924 15.2268 15.2268 15.4687 15.4687 15.9495 15.9495 16.7813 16.7813 k = 0.5000 0.3832 0.5031 ( 1512 PWs) bands (ev): -24.7155 -24.7155 -14.2516 -14.2516 -7.8521 -7.8521 -7.0181 -7.0181 -6.5481 -6.5481 -4.4800 -4.4800 2.7249 2.7249 3.4750 3.4750 3.9264 3.9264 7.7787 7.7787 9.0018 9.0018 15.1796 15.1796 15.3145 15.3145 15.9437 15.9437 16.7644 16.7644 k = 0.5000 0.3832 0.4902 ( 1516 PWs) bands (ev): -24.7179 -24.7179 -14.2534 -14.2534 -7.8531 -7.8531 -7.0231 -7.0231 -6.5269 -6.5269 -4.4679 -4.4679 2.7347 2.7347 3.4429 3.4429 3.9270 3.9270 7.8527 7.8527 9.0113 9.0113 15.1300 15.1300 15.1634 15.1634 15.9394 15.9394 16.7421 16.7421 k = 0.5000 0.3832 0.4773 ( 1512 PWs) bands (ev): -24.7203 -24.7203 -14.2547 -14.2547 -7.8553 -7.8553 -7.0275 -7.0275 -6.5066 -6.5066 -4.4554 -4.4554 2.7449 2.7449 3.4139 3.4139 3.9279 3.9279 7.9271 7.9271 9.0210 9.0210 15.0036 15.0036 15.0905 15.0905 15.9367 15.9367 16.7146 16.7146 k = 0.5000 0.3832 0.4644 ( 1512 PWs) bands (ev): -24.7228 -24.7228 -14.2554 -14.2554 -7.8587 -7.8587 -7.0312 -7.0312 -6.4874 -6.4874 -4.4426 -4.4426 2.7555 2.7555 3.3883 3.3883 3.9291 3.9291 8.0014 8.0014 9.0308 9.0308 14.8513 14.8513 15.0454 15.0454 15.9357 15.9357 16.6827 16.6827 k = 0.5000 0.3832 0.4515 ( 1516 PWs) bands (ev): -24.7253 -24.7253 -14.2557 -14.2557 -7.8632 -7.8632 -7.0342 -7.0342 -6.4694 -6.4694 -4.4294 -4.4294 2.7667 2.7667 3.3661 3.3661 3.9307 3.9307 8.0753 8.0753 9.0406 9.0406 14.6995 14.6995 15.0021 15.0021 15.9365 15.9365 16.6466 16.6466 k = 0.5000 0.3832 0.4386 ( 1512 PWs) bands (ev): -24.7279 -24.7279 -14.2554 -14.2554 -7.8688 -7.8688 -7.0363 -7.0363 -6.4527 -6.4527 -4.4159 -4.4159 2.7783 2.7783 3.3474 3.3474 3.9327 3.9327 8.1486 8.1486 9.0505 9.0505 14.5488 14.5488 14.9604 14.9604 15.9393 15.9393 16.6069 16.6069 k = 0.5000 0.3832 0.4257 ( 1516 PWs) bands (ev): -24.7306 -24.7306 -14.2546 -14.2546 -7.8756 -7.8756 -7.0378 -7.0378 -6.4375 -6.4375 -4.4022 -4.4022 2.7905 2.7905 3.3324 3.3324 3.9350 3.9350 8.2210 8.2210 9.0604 9.0604 14.3996 14.3996 14.9204 14.9204 15.9443 15.9443 16.5638 16.5638 k = 0.5000 0.3832 0.4128 ( 1520 PWs) bands (ev): -24.7332 -24.7332 -14.2532 -14.2532 -7.8834 -7.8834 -7.0385 -7.0385 -6.4237 -6.4237 -4.3883 -4.3883 2.8033 2.8033 3.3211 3.3211 3.9376 3.9376 8.2922 8.2922 9.0703 9.0703 14.2521 14.2521 14.8822 14.8822 15.9517 15.9517 16.5178 16.5178 k = 0.5000 0.3832 0.3999 ( 1520 PWs) bands (ev): -24.7359 -24.7359 -14.2513 -14.2513 -7.8922 -7.8922 -7.0386 -7.0386 -6.4116 -6.4116 -4.3742 -4.3742 2.8167 2.8167 3.3136 3.3136 3.9407 3.9407 8.3619 8.3619 9.0802 9.0802 14.1066 14.1066 14.8460 14.8460 15.9617 15.9617 16.4691 16.4691 k = 0.5000 0.3832 0.3870 ( 1516 PWs) bands (ev): -24.7386 -24.7386 -14.2489 -14.2489 -7.9019 -7.9019 -7.0381 -7.0381 -6.4009 -6.4009 -4.3599 -4.3599 2.8306 2.8306 3.3098 3.3098 3.9441 3.9441 8.4299 8.4299 9.0901 9.0901 13.9632 13.9632 14.8119 14.8119 15.9746 15.9746 16.4180 16.4180 k = 0.5000 0.3832 0.3741 ( 1512 PWs) bands (ev): -24.7413 -24.7413 -14.2459 -14.2459 -7.9124 -7.9124 -7.0370 -7.0370 -6.3919 -6.3919 -4.3456 -4.3456 2.8451 2.8451 3.3098 3.3098 3.9479 3.9479 8.4959 8.4959 9.0999 9.0999 13.8222 13.8222 14.7799 14.7799 15.9905 15.9905 16.3647 16.3647 k = 0.5000 0.3832 0.3612 ( 1512 PWs) bands (ev): -24.7440 -24.7440 -14.2425 -14.2425 -7.9237 -7.9237 -7.0355 -7.0355 -6.3845 -6.3845 -4.3312 -4.3312 2.8600 2.8600 3.3136 3.3136 3.9520 3.9520 8.5596 8.5596 9.1096 9.1096 13.6837 13.6837 14.7501 14.7501 16.0098 16.0098 16.3095 16.3095 k = 0.5000 0.3832 0.3483 ( 1512 PWs) bands (ev): -24.7468 -24.7468 -14.2385 -14.2385 -7.9355 -7.9355 -7.0337 -7.0337 -6.3786 -6.3786 -4.3168 -4.3168 2.8752 2.8752 3.3212 3.3212 3.9565 3.9565 8.6209 8.6209 9.1192 9.1192 13.5481 13.5481 14.7225 14.7225 16.0325 16.0325 16.2524 16.2524 k = 0.5000 0.3832 0.3354 ( 1516 PWs) bands (ev): -24.7495 -24.7495 -14.2341 -14.2341 -7.9479 -7.9479 -7.0316 -7.0316 -6.3742 -6.3742 -4.3024 -4.3024 2.8906 2.8906 3.3326 3.3326 3.9614 3.9614 8.6794 8.6794 9.1286 9.1286 13.4153 13.4153 14.6971 14.6971 16.0588 16.0588 16.1939 16.1939 k = 0.5000 0.3832 0.3225 ( 1520 PWs) bands (ev): -24.7522 -24.7522 -14.2293 -14.2293 -7.9607 -7.9607 -7.0294 -7.0294 -6.3711 -6.3711 -4.2881 -4.2881 2.9059 2.9059 3.3478 3.3478 3.9665 3.9665 8.7352 8.7352 9.1379 9.1379 13.2857 13.2857 14.6739 14.6739 16.0875 16.0875 16.1354 16.1354 k = 0.5000 0.3832 0.3096 ( 1518 PWs) bands (ev): -24.7549 -24.7549 -14.2240 -14.2240 -7.9739 -7.9739 -7.0271 -7.0271 -6.3694 -6.3694 -4.2739 -4.2739 2.9211 2.9211 3.3667 3.3667 3.9720 3.9720 8.7880 8.7880 9.1470 9.1470 13.1594 13.1594 14.6527 14.6527 16.0680 16.0680 16.1278 16.1278 k = 0.5000 0.3832 0.2967 ( 1518 PWs) bands (ev): -24.7575 -24.7575 -14.2184 -14.2184 -7.9872 -7.9872 -7.0249 -7.0249 -6.3689 -6.3689 -4.2599 -4.2599 2.9359 2.9359 3.3892 3.3892 3.9778 3.9778 8.8377 8.8377 9.1559 9.1559 13.0366 13.0366 14.6335 14.6335 16.0062 16.0062 16.1657 16.1657 k = 0.5000 0.3832 0.2838 ( 1514 PWs) bands (ev): -24.7601 -24.7601 -14.2125 -14.2125 -8.0007 -8.0007 -7.0228 -7.0228 -6.3694 -6.3694 -4.2460 -4.2460 2.9502 2.9502 3.4153 3.4153 3.9838 3.9838 8.8842 8.8842 9.1646 9.1646 12.9174 12.9174 14.6161 14.6161 15.9419 15.9419 16.2094 16.2094 k = 0.5000 0.3832 0.2709 ( 1510 PWs) bands (ev): -24.7627 -24.7627 -14.2063 -14.2063 -8.0142 -8.0142 -7.0209 -7.0209 -6.3708 -6.3708 -4.2324 -4.2324 2.9640 2.9640 3.4446 3.4446 3.9901 3.9901 8.9276 8.9276 9.1731 9.1731 12.8021 12.8021 14.6006 14.6006 15.8762 15.8762 16.2579 16.2579 k = 0.5000 0.3832 0.2580 ( 1508 PWs) bands (ev): -24.7652 -24.7652 -14.1999 -14.1999 -8.0276 -8.0276 -7.0192 -7.0192 -6.3731 -6.3731 -4.2191 -4.2191 2.9770 2.9770 3.4769 3.4769 3.9966 3.9966 8.9677 8.9677 9.1813 9.1813 12.6908 12.6908 14.5866 14.5866 15.8096 15.8096 16.3114 16.3114 k = 0.5000 0.3832 0.2451 ( 1508 PWs) bands (ev): -24.7676 -24.7676 -14.1933 -14.1933 -8.0409 -8.0409 -7.0180 -7.0180 -6.3760 -6.3760 -4.2062 -4.2062 2.9894 2.9894 3.5118 3.5118 4.0033 4.0033 9.0046 9.0046 9.1893 9.1893 12.5836 12.5836 14.5742 14.5742 15.7420 15.7420 16.3697 16.3697 k = 0.5000 0.3832 0.2322 ( 1508 PWs) bands (ev): -24.7700 -24.7700 -14.1866 -14.1866 -8.0540 -8.0540 -7.0171 -7.0171 -6.3794 -6.3794 -4.1936 -4.1936 3.0010 3.0010 3.5490 3.5490 4.0101 4.0101 9.0383 9.0383 9.1970 9.1970 12.4808 12.4808 14.5630 14.5630 15.6740 15.6740 16.4329 16.4329 k = 0.5000 0.3832 0.2193 ( 1506 PWs) bands (ev): -24.7723 -24.7723 -14.1798 -14.1798 -8.0667 -8.0667 -7.0166 -7.0166 -6.3831 -6.3831 -4.1814 -4.1814 3.0118 3.0118 3.5880 3.5880 4.0170 4.0170 9.0690 9.0690 9.2044 9.2044 12.3825 12.3825 14.5531 14.5531 15.6055 15.6055 16.5009 16.5009 k = 0.5000 0.3832 0.2064 ( 1510 PWs) bands (ev): -24.7745 -24.7745 -14.1730 -14.1730 -8.0792 -8.0792 -7.0166 -7.0166 -6.3871 -6.3871 -4.1697 -4.1697 3.0220 3.0220 3.6284 3.6284 4.0240 4.0240 9.0967 9.0967 9.2115 9.2115 12.2888 12.2888 14.5443 14.5443 15.5371 15.5371 16.5737 16.5737 k = 0.5000 0.3832 0.1935 ( 1510 PWs) bands (ev): -24.7766 -24.7766 -14.1663 -14.1663 -8.0911 -8.0911 -7.0170 -7.0170 -6.3912 -6.3912 -4.1584 -4.1584 3.0314 3.0314 3.6696 3.6696 4.0310 4.0310 9.1215 9.1215 9.2183 9.2183 12.1999 12.1999 14.5364 14.5364 15.4691 15.4691 16.6510 16.6510 k = 0.5000 0.3832 0.1806 ( 1510 PWs) bands (ev): -24.7786 -24.7786 -14.1597 -14.1597 -8.1026 -8.1026 -7.0179 -7.0179 -6.3953 -6.3953 -4.1477 -4.1477 3.0401 3.0401 3.7111 3.7111 4.0380 4.0380 9.1436 9.1436 9.2249 9.2249 12.1160 12.1160 14.5294 14.5294 15.4019 15.4019 16.7326 16.7326 k = 0.5000 0.3832 0.1677 ( 1506 PWs) bands (ev): -24.7805 -24.7805 -14.1532 -14.1532 -8.1135 -8.1135 -7.0191 -7.0191 -6.3993 -6.3993 -4.1376 -4.1376 3.0482 3.0482 3.7525 3.7525 4.0450 4.0450 9.1630 9.1630 9.2312 9.2312 12.0371 12.0371 14.5232 14.5232 15.3359 15.3359 16.8182 16.8182 k = 0.5000 0.3832 0.1548 ( 1506 PWs) bands (ev): -24.7823 -24.7823 -14.1469 -14.1469 -8.1239 -8.1239 -7.0207 -7.0207 -6.4031 -6.4031 -4.1280 -4.1280 3.0557 3.0557 3.7931 3.7931 4.0519 4.0519 9.1800 9.1800 9.2372 9.2372 11.9635 11.9635 14.5176 14.5176 15.2718 15.2718 16.9076 16.9076 k = 0.5000 0.3832 0.1419 ( 1506 PWs) bands (ev): -24.7840 -24.7840 -14.1409 -14.1409 -8.1335 -8.1335 -7.0227 -7.0227 -6.4067 -6.4067 -4.1191 -4.1191 3.0625 3.0625 3.8324 3.8324 4.0588 4.0588 9.1946 9.1946 9.2429 9.2429 11.8952 11.8952 14.5127 14.5127 15.2099 15.2099 17.0001 17.0001 k = 0.5000 0.3832 0.1290 ( 1502 PWs) bands (ev): -24.7855 -24.7855 -14.1352 -14.1352 -8.1425 -8.1425 -7.0248 -7.0248 -6.4101 -6.4101 -4.1109 -4.1109 3.0687 3.0687 3.8700 3.8700 4.0657 4.0657 9.2071 9.2071 9.2484 9.2484 11.8324 11.8324 14.5084 14.5084 15.1510 15.1510 17.0950 17.0950 k = 0.5000 0.3832 0.1161 ( 1506 PWs) bands (ev): -24.7869 -24.7869 -14.1299 -14.1299 -8.1507 -8.1507 -7.0271 -7.0271 -6.4131 -6.4131 -4.1033 -4.1033 3.0743 3.0743 3.9051 3.9051 4.0726 4.0726 9.2176 9.2176 9.2536 9.2536 11.7753 11.7753 14.5045 14.5045 15.0955 15.0955 17.1849 17.1849 k = 0.5000 0.3832 0.1032 ( 1510 PWs) bands (ev): -24.7882 -24.7882 -14.1250 -14.1250 -8.1582 -8.1582 -7.0295 -7.0295 -6.4158 -6.4158 -4.0965 -4.0965 3.0793 3.0793 3.9372 3.9372 4.0795 4.0795 9.2263 9.2263 9.2586 9.2586 11.7238 11.7238 14.5011 14.5011 15.0440 15.0440 17.1753 17.1753 k = 0.5000 0.3832 0.0903 ( 1508 PWs) bands (ev): -24.7893 -24.7893 -14.1205 -14.1205 -8.1649 -8.1649 -7.0319 -7.0319 -6.4182 -6.4182 -4.0904 -4.0904 3.0837 3.0837 3.9658 3.9658 4.0867 4.0867 9.2333 9.2333 9.2632 9.2632 11.6781 11.6781 14.4982 14.4982 14.9971 14.9971 17.1442 17.1442 k = 0.5000 0.3832 0.0774 ( 1500 PWs) bands (ev): -24.7903 -24.7903 -14.1166 -14.1166 -8.1707 -8.1707 -7.0341 -7.0341 -6.4202 -6.4202 -4.0851 -4.0851 3.0876 3.0876 3.9903 3.9903 4.0942 4.0942 9.2390 9.2390 9.2674 9.2674 11.6383 11.6383 14.4958 14.4958 14.9552 14.9552 17.1164 17.1164 k = 0.5000 0.3832 0.0645 ( 1502 PWs) bands (ev): -24.7912 -24.7912 -14.1132 -14.1132 -8.1757 -8.1757 -7.0362 -7.0362 -6.4219 -6.4219 -4.0805 -4.0805 3.0908 3.0908 4.0102 4.0102 4.1019 4.1019 9.2435 9.2435 9.2710 9.2710 11.6045 11.6045 14.4937 14.4937 14.9190 14.9190 17.0927 17.0927 k = 0.5000 0.3832 0.0516 ( 1500 PWs) bands (ev): -24.7919 -24.7919 -14.1104 -14.1104 -8.1798 -8.1798 -7.0380 -7.0380 -6.4233 -6.4233 -4.0768 -4.0768 3.0934 3.0934 4.0256 4.0256 4.1098 4.1098 9.2469 9.2469 9.2740 9.2740 11.5768 11.5768 14.4920 14.4920 14.8887 14.8887 17.0732 17.0732 k = 0.5000 0.3832 0.0387 ( 1500 PWs) bands (ev): -24.7924 -24.7924 -14.1082 -14.1082 -8.1830 -8.1830 -7.0394 -7.0394 -6.4243 -6.4243 -4.0739 -4.0739 3.0955 3.0955 4.0366 4.0366 4.1171 4.1171 9.2495 9.2495 9.2764 9.2764 11.5551 11.5551 14.4907 14.4907 14.8647 14.8647 17.0581 17.0581 k = 0.5000 0.3832 0.0258 ( 1496 PWs) bands (ev): -24.7928 -24.7928 -14.1066 -14.1066 -8.1853 -8.1853 -7.0405 -7.0405 -6.4251 -6.4251 -4.0718 -4.0718 3.0970 3.0970 4.0439 4.0439 4.1231 4.1231 9.2512 9.2512 9.2781 9.2781 11.5396 11.5396 14.4898 14.4898 14.8474 14.8474 17.0472 17.0472 k = 0.5000 0.3832 0.0129 ( 1492 PWs) bands (ev): -24.7931 -24.7931 -14.1056 -14.1056 -8.1867 -8.1867 -7.0412 -7.0412 -6.4255 -6.4255 -4.0705 -4.0705 3.0979 3.0979 4.0480 4.0480 4.1270 4.1270 9.2523 9.2523 9.2791 9.2791 11.5303 11.5303 14.4893 14.4893 14.8369 14.8369 17.0407 17.0407 k = 0.5000 0.3832 0.0000 ( 1494 PWs) bands (ev): -24.7931 -24.7931 -14.1053 -14.1053 -8.1871 -8.1871 -7.0414 -7.0414 -6.4256 -6.4256 -4.0701 -4.0701 3.0982 3.0982 4.0493 4.0493 4.1284 4.1284 9.2526 9.2526 9.2795 9.2795 11.5272 11.5272 14.4891 14.4891 14.8334 14.8334 17.0385 17.0385 k = 0.0000 0.0000 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1713 -14.1713 -7.9627 -7.9627 -7.0160 -7.0160 -6.8088 -6.8088 -4.6243 -4.6243 2.5965 2.5965 3.9370 3.9370 4.3414 4.3414 6.6725 6.6725 8.8657 8.8657 15.8760 15.8760 16.2024 16.2024 16.2294 16.2294 17.3978 17.3978 k = 0.0104 0.0080 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1713 -14.1713 -7.9625 -7.9625 -7.0159 -7.0159 -6.8080 -6.8080 -4.6262 -4.6262 2.5983 2.5983 3.9372 3.9372 4.3406 4.3406 6.6751 6.6751 8.8634 8.8634 15.8612 15.8612 16.2023 16.2023 16.2294 16.2294 17.3844 17.3844 k = 0.0208 0.0160 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1714 -14.1714 -7.9620 -7.9620 -7.0157 -7.0157 -6.8053 -6.8053 -4.6318 -4.6318 2.6034 2.6034 3.9378 3.9378 4.3381 4.3381 6.6828 6.6828 8.8564 8.8564 15.8185 15.8185 16.2021 16.2021 16.2292 16.2292 17.3470 17.3470 k = 0.0312 0.0240 0.8219 ( 1512 PWs) bands (ev): -24.6849 -24.6849 -14.1717 -14.1717 -7.9612 -7.9612 -7.0154 -7.0154 -6.8008 -6.8008 -4.6411 -4.6411 2.6120 2.6120 3.9388 3.9388 4.3340 4.3340 6.6956 6.6956 8.8447 8.8447 15.7520 15.7520 16.2018 16.2018 16.2290 16.2290 17.2922 17.2922 k = 0.0417 0.0319 0.8219 ( 1518 PWs) bands (ev): -24.6849 -24.6849 -14.1720 -14.1720 -7.9600 -7.9600 -7.0150 -7.0150 -6.7946 -6.7946 -4.6540 -4.6540 2.6237 2.6237 3.9401 3.9401 4.3284 4.3284 6.7134 6.7134 8.8285 8.8285 15.6670 15.6670 16.2013 16.2013 16.2288 16.2288 17.2269 17.2269 k = 0.0521 0.0399 0.8219 ( 1518 PWs) bands (ev): -24.6849 -24.6849 -14.1724 -14.1724 -7.9586 -7.9586 -7.0146 -7.0146 -6.7867 -6.7867 -4.6702 -4.6702 2.6385 2.6385 3.9419 3.9419 4.3213 4.3213 6.7360 6.7360 8.8078 8.8078 15.5688 15.5688 16.2006 16.2006 16.2286 16.2286 17.1561 17.1561 k = 0.0625 0.0479 0.8219 ( 1518 PWs) bands (ev): -24.6849 -24.6849 -14.1729 -14.1729 -7.9569 -7.9569 -7.0141 -7.0141 -6.7770 -6.7770 -4.6896 -4.6896 2.6560 2.6560 3.9440 3.9440 4.3129 4.3129 6.7633 6.7633 8.7826 8.7826 15.4618 15.4618 16.1998 16.1998 16.2283 16.2283 17.0833 17.0833 k = 0.0729 0.0559 0.8219 ( 1514 PWs) bands (ev): -24.6849 -24.6849 -14.1734 -14.1734 -7.9550 -7.9550 -7.0136 -7.0136 -6.7656 -6.7656 -4.7119 -4.7119 2.6760 2.6760 3.9466 3.9466 4.3034 4.3034 6.7951 6.7951 8.7532 8.7532 15.3495 15.3495 16.1989 16.1989 16.2282 16.2282 17.0107 17.0107 k = 0.0833 0.0639 0.8219 ( 1510 PWs) bands (ev): -24.6849 -24.6849 -14.1740 -14.1740 -7.9529 -7.9529 -7.0132 -7.0132 -6.7526 -6.7526 -4.7368 -4.7368 2.6981 2.6981 3.9496 3.9496 4.2928 4.2928 6.8312 6.8312 8.7196 8.7196 15.2348 15.2348 16.1979 16.1979 16.2281 16.2281 16.9397 16.9397 k = 0.0938 0.0719 0.8219 ( 1512 PWs) bands (ev): -24.6849 -24.6849 -14.1747 -14.1747 -7.9506 -7.9506 -7.0129 -7.0129 -6.7381 -6.7381 -4.7640 -4.7640 2.7220 2.7220 3.9529 3.9529 4.2813 4.2813 6.8714 6.8714 8.6821 8.6821 15.1200 15.1200 16.1969 16.1969 16.2281 16.2281 16.8712 16.8712 k = 0.1042 0.0798 0.8219 ( 1512 PWs) bands (ev): -24.6849 -24.6849 -14.1754 -14.1754 -7.9482 -7.9482 -7.0126 -7.0126 -6.7222 -6.7222 -4.7931 -4.7931 2.7472 2.7472 3.9567 3.9567 4.2691 4.2691 6.9153 6.9153 8.6407 8.6407 15.0068 15.0068 16.1959 16.1959 16.2282 16.2282 16.8059 16.8059 k = 0.1146 0.0878 0.8219 ( 1512 PWs) bands (ev): -24.6848 -24.6848 -14.1761 -14.1761 -7.9458 -7.9458 -7.0124 -7.0124 -6.7052 -6.7052 -4.8236 -4.8236 2.7733 2.7733 3.9609 3.9609 4.2563 4.2563 6.9629 6.9629 8.5957 8.5957 14.8966 14.8966 16.1951 16.1951 16.2284 16.2284 16.7439 16.7439 k = 0.1250 0.0958 0.8219 ( 1508 PWs) bands (ev): -24.6848 -24.6848 -14.1768 -14.1768 -7.9433 -7.9433 -7.0123 -7.0123 -6.6871 -6.6871 -4.8552 -4.8552 2.7998 2.7998 3.9655 3.9655 4.2431 4.2431 7.0137 7.0137 8.5473 8.5473 14.7906 14.7906 16.1945 16.1945 16.2287 16.2287 16.6857 16.6857 k = 0.1354 0.1038 0.8219 ( 1508 PWs) bands (ev): -24.6848 -24.6848 -14.1775 -14.1775 -7.9409 -7.9409 -7.0123 -7.0123 -6.6684 -6.6684 -4.8873 -4.8873 2.8264 2.8264 3.9706 3.9706 4.2296 4.2296 7.0676 7.0676 8.4956 8.4956 14.6899 14.6899 16.1943 16.1943 16.2291 16.2291 16.6312 16.6312 k = 0.1458 0.1118 0.8219 ( 1504 PWs) bands (ev): -24.6848 -24.6848 -14.1782 -14.1782 -7.9385 -7.9385 -7.0124 -7.0124 -6.6492 -6.6492 -4.9194 -4.9194 2.8526 2.8526 3.9760 3.9760 4.2160 4.2160 7.1243 7.1243 8.4410 8.4410 14.5953 14.5953 16.1946 16.1946 16.2296 16.2296 16.5807 16.5807 k = 0.1562 0.1198 0.8219 ( 1504 PWs) bands (ev): -24.6848 -24.6848 -14.1789 -14.1789 -7.9362 -7.9362 -7.0124 -7.0124 -6.6299 -6.6299 -4.9511 -4.9511 2.8779 2.8779 3.9818 3.9818 4.2025 4.2025 7.1835 7.1835 8.3837 8.3837 14.5075 14.5075 16.1955 16.1955 16.2302 16.2302 16.5339 16.5339 k = 0.1667 0.1277 0.8219 ( 1506 PWs) bands (ev): -24.6848 -24.6848 -14.1795 -14.1795 -7.9341 -7.9341 -7.0126 -7.0126 -6.6109 -6.6109 -4.9817 -4.9817 2.9018 2.9018 3.9879 3.9879 4.1891 4.1891 7.2450 7.2450 8.3239 8.3239 14.4273 14.4273 16.1971 16.1971 16.2309 16.2309 16.4910 16.4910 k = 0.1771 0.1357 0.8219 ( 1510 PWs) bands (ev): -24.6848 -24.6848 -14.1801 -14.1801 -7.9321 -7.9321 -7.0128 -7.0128 -6.5927 -6.5927 -5.0106 -5.0106 2.9240 2.9240 3.9943 3.9943 4.1761 4.1761 7.3085 7.3085 8.2618 8.2618 14.3551 14.3551 16.1995 16.1995 16.2317 16.2317 16.4519 16.4519 k = 0.1875 0.1437 0.8219 ( 1514 PWs) bands (ev): -24.6848 -24.6848 -14.1807 -14.1807 -7.9304 -7.9304 -7.0129 -7.0129 -6.5755 -6.5755 -5.0374 -5.0374 2.9441 2.9441 4.0010 4.0010 4.1635 4.1635 7.3737 7.3737 8.1978 8.1978 14.2915 14.2915 16.2027 16.2027 16.2327 16.2327 16.4163 16.4163 k = 0.1979 0.1517 0.8219 ( 1514 PWs) bands (ev): -24.6848 -24.6848 -14.1812 -14.1812 -7.9288 -7.9288 -7.0131 -7.0131 -6.5600 -6.5600 -5.0612 -5.0612 2.9618 2.9618 4.0077 4.0077 4.1517 4.1517 7.4404 7.4404 8.1321 8.1321 14.2369 14.2369 16.2068 16.2068 16.2343 16.2343 16.3843 16.3843 k = 0.2083 0.1597 0.8219 ( 1518 PWs) bands (ev): -24.6848 -24.6848 -14.1816 -14.1816 -7.9275 -7.9275 -7.0133 -7.0133 -6.5465 -6.5465 -5.0817 -5.0817 2.9767 2.9767 4.0142 4.0142 4.1408 4.1408 7.5084 7.5084 8.0650 8.0650 14.1917 14.1917 16.2113 16.2113 16.2367 16.2367 16.3557 16.3557 k = 0.2188 0.1677 0.8219 ( 1518 PWs) bands (ev): -24.6848 -24.6848 -14.1819 -14.1819 -7.9265 -7.9265 -7.0134 -7.0134 -6.5354 -6.5354 -5.0983 -5.0983 2.9886 2.9886 4.0203 4.0203 4.1313 4.1313 7.5773 7.5773 7.9968 7.9968 14.1563 14.1563 16.2157 16.2157 16.2408 16.2408 16.3304 16.3304 k = 0.2292 0.1757 0.8219 ( 1520 PWs) bands (ev): -24.6848 -24.6848 -14.1821 -14.1821 -7.9258 -7.9258 -7.0135 -7.0135 -6.5272 -6.5272 -5.1105 -5.1105 2.9972 2.9972 4.0255 4.0255 4.1237 4.1237 7.6469 7.6469 7.9276 7.9276 14.1309 14.1309 16.2190 16.2190 16.2475 16.2475 16.3083 16.3083 k = 0.2396 0.1836 0.8219 ( 1516 PWs) bands (ev): -24.6848 -24.6848 -14.1823 -14.1823 -7.9253 -7.9253 -7.0136 -7.0136 -6.5222 -6.5222 -5.1179 -5.1179 3.0024 3.0024 4.0290 4.0290 4.1187 4.1187 7.7168 7.7168 7.8580 7.8580 14.1155 14.1155 16.2210 16.2210 16.2571 16.2571 16.2896 16.2896 k = 0.2500 0.1916 0.8219 ( 1516 PWs) bands (ev): -24.6848 -24.6848 -14.1823 -14.1823 -7.9252 -7.9252 -7.0136 -7.0136 -6.5205 -6.5205 -5.1204 -5.1204 3.0042 3.0042 4.0303 4.0303 4.1169 4.1169 7.7798 7.7798 7.7950 7.7950 14.1104 14.1104 16.2215 16.2215 16.2654 16.2654 16.2784 16.2784 Writing output data file SrO2.save init_run : 0.54s CPU 0.68s WALL ( 1 calls) electrons : 62.55s CPU 64.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.54s CPU 64.00s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 436 calls) cegterg : 58.55s CPU 59.62s WALL ( 453 calls) Called by sum_band: Called by *egterg: h_psi : 28.71s CPU 29.54s WALL ( 7994 calls) s_psi : 0.87s CPU 0.96s WALL ( 7994 calls) g_psi : 0.06s CPU 0.07s WALL ( 7105 calls) cdiaghg : 27.53s CPU 27.88s WALL ( 7541 calls) cegterg:over : 1.84s CPU 1.86s WALL ( 7105 calls) cegterg:upda : 1.32s CPU 1.26s WALL ( 7105 calls) cegterg:last : 0.66s CPU 0.74s WALL ( 1537 calls) cdiaghg:chol : 1.28s CPU 1.38s WALL ( 7541 calls) cdiaghg:inve : 0.74s CPU 0.76s WALL ( 7541 calls) cdiaghg:para : 1.36s CPU 1.57s WALL ( 15082 calls) Called by h_psi: h_psi:vloc : 26.32s CPU 27.17s WALL ( 7994 calls) h_psi:vnl : 2.33s CPU 2.33s WALL ( 7994 calls) add_vuspsi : 1.28s CPU 1.25s WALL ( 7994 calls) General routines calbec : 1.03s CPU 1.07s WALL ( 7994 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.61s CPU 25.29s WALL ( 577768 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.10s WALL ( 872 calls) Parallel routines fft_scatter : 12.42s CPU 13.00s WALL ( 577791 calls) PWSCF : 1m12.42s CPU 1m37.37s WALL This run was terminated on: 21: 2:50 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=