Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:33:32 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: ./AlPO4.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 24 14 4 713 311 55 Max 25 15 5 720 325 60 Sum 883 511 159 25775 11405 2045 bravais-lattice index = 14 lattice parameter (alat) = 4.7357 a.u. unit-cell volume = 261.6896 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 4.735653 celldm(2)= 1.531524 celldm(3)= 1.610535 celldm(4)= 0.045363 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.531524 0.000000 ) a(3) = ( 0.000000 0.073059 1.608877 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.652944 -0.029650 ) b(3) = ( 0.000000 0.000000 0.621552 ) 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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) Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0000000 0.0079686), wk = 0.0022727 k( 3) = ( 0.0000000 0.0000000 0.0159372), wk = 0.0022727 k( 4) = ( 0.0000000 0.0000000 0.0239058), wk = 0.0022727 k( 5) = ( 0.0000000 0.0000000 0.0318744), wk = 0.0022727 k( 6) = ( 0.0000000 0.0000000 0.0398431), wk = 0.0022727 k( 7) = ( 0.0000000 0.0000000 0.0478117), wk = 0.0022727 k( 8) = ( 0.0000000 0.0000000 0.0557803), wk = 0.0022727 k( 9) = ( 0.0000000 0.0000000 0.0637489), wk = 0.0022727 k( 10) = ( 0.0000000 0.0000000 0.0717175), wk = 0.0022727 k( 11) = ( 0.0000000 0.0000000 0.0796861), wk = 0.0022727 k( 12) = ( 0.0000000 0.0000000 0.0876547), wk = 0.0022727 k( 13) = ( 0.0000000 0.0000000 0.0956233), wk = 0.0022727 k( 14) = ( 0.0000000 0.0000000 0.1035919), wk = 0.0022727 k( 15) = ( 0.0000000 0.0000000 0.1115606), wk = 0.0022727 k( 16) = ( 0.0000000 0.0000000 0.1195292), wk = 0.0022727 k( 17) = ( 0.0000000 0.0000000 0.1274978), wk = 0.0022727 k( 18) = ( 0.0000000 0.0000000 0.1354664), wk = 0.0022727 k( 19) = ( 0.0000000 0.0000000 0.1434350), wk = 0.0022727 k( 20) = ( 0.0000000 0.0000000 0.1514036), wk = 0.0022727 k( 21) = ( 0.0000000 0.0000000 0.1593722), wk = 0.0022727 k( 22) = ( 0.0000000 0.0000000 0.1673408), wk = 0.0022727 k( 23) = ( 0.0000000 0.0000000 0.1753094), wk = 0.0022727 k( 24) = ( 0.0000000 0.0000000 0.1832780), wk = 0.0022727 k( 25) = ( 0.0000000 0.0000000 0.1912467), wk = 0.0022727 k( 26) = ( 0.0000000 0.0000000 0.1992153), wk = 0.0022727 k( 27) = ( 0.0000000 0.0000000 0.2071839), wk = 0.0022727 k( 28) = ( 0.0000000 0.0000000 0.2151525), wk = 0.0022727 k( 29) = ( 0.0000000 0.0000000 0.2231211), wk = 0.0022727 k( 30) = ( 0.0000000 0.0000000 0.2310897), wk = 0.0022727 k( 31) = ( 0.0000000 0.0000000 0.2390583), wk = 0.0022727 k( 32) = ( 0.0000000 0.0000000 0.2470269), wk = 0.0022727 k( 33) = ( 0.0000000 0.0000000 0.2549955), wk = 0.0022727 k( 34) = ( 0.0000000 0.0000000 0.2629642), wk = 0.0022727 k( 35) = ( 0.0000000 0.0000000 0.2709328), wk = 0.0022727 k( 36) = ( 0.0000000 0.0000000 0.2789014), wk = 0.0022727 k( 37) = ( 0.0000000 0.0000000 0.2868700), wk = 0.0022727 k( 38) = ( 0.0000000 0.0000000 0.2948386), wk = 0.0022727 k( 39) = ( 0.0000000 0.0000000 0.3028072), wk = 0.0022727 k( 40) = ( 0.0000000 0.0000000 0.3107758), wk = 0.0022727 k( 41) = ( 0.0000000 0.0000000 0.3107758), wk = 0.0022727 k( 42) = ( 0.0000000 0.0078258 0.3107758), wk = 0.0022727 k( 43) = ( 0.0000000 0.0156517 0.3107758), wk = 0.0022727 k( 44) = ( 0.0000000 0.0234775 0.3107758), wk = 0.0022727 k( 45) = ( 0.0000000 0.0313033 0.3107758), wk = 0.0022727 k( 46) = ( 0.0000000 0.0391291 0.3107758), wk = 0.0022727 k( 47) = ( 0.0000000 0.0469550 0.3107758), wk = 0.0022727 k( 48) = ( 0.0000000 0.0547808 0.3107758), wk = 0.0022727 k( 49) = ( 0.0000000 0.0626066 0.3107758), wk = 0.0022727 k( 50) = ( 0.0000000 0.0704324 0.3107758), wk = 0.0022727 k( 51) = ( 0.0000000 0.0782583 0.3107758), wk = 0.0022727 k( 52) = ( 0.0000000 0.0860841 0.3107758), wk = 0.0022727 k( 53) = ( 0.0000000 0.0939099 0.3107758), wk = 0.0022727 k( 54) = ( 0.0000000 0.1017358 0.3107758), wk = 0.0022727 k( 55) = ( 0.0000000 0.1095616 0.3107758), wk = 0.0022727 k( 56) = ( 0.0000000 0.1173874 0.3107758), wk = 0.0022727 k( 57) = ( 0.0000000 0.1252132 0.3107758), wk = 0.0022727 k( 58) = ( 0.0000000 0.1330391 0.3107758), wk = 0.0022727 k( 59) = ( 0.0000000 0.1408649 0.3107758), wk = 0.0022727 k( 60) = ( 0.0000000 0.1486907 0.3107758), wk = 0.0022727 k( 61) = ( 0.0000000 0.1565165 0.3107758), wk = 0.0022727 k( 62) = ( 0.0000000 0.1643424 0.3107758), wk = 0.0022727 k( 63) = ( 0.0000000 0.1721682 0.3107758), wk = 0.0022727 k( 64) = ( 0.0000000 0.1799940 0.3107758), wk = 0.0022727 k( 65) = ( 0.0000000 0.1878198 0.3107758), wk = 0.0022727 k( 66) = ( 0.0000000 0.1956457 0.3107758), wk = 0.0022727 k( 67) = ( 0.0000000 0.2034715 0.3107758), wk = 0.0022727 k( 68) = ( 0.0000000 0.2112973 0.3107758), wk = 0.0022727 k( 69) = ( 0.0000000 0.2191232 0.3107758), wk = 0.0022727 k( 70) = ( 0.0000000 0.2269490 0.3107758), wk = 0.0022727 k( 71) = ( 0.0000000 0.2347748 0.3107758), wk = 0.0022727 k( 72) = ( 0.0000000 0.2426006 0.3107758), wk = 0.0022727 k( 73) = ( 0.0000000 0.2504265 0.3107758), wk = 0.0022727 k( 74) = ( 0.0000000 0.2582523 0.3107758), wk = 0.0022727 k( 75) = ( 0.0000000 0.2660781 0.3107758), wk = 0.0022727 k( 76) = ( 0.0000000 0.2739039 0.3107758), wk = 0.0022727 k( 77) = ( 0.0000000 0.2817298 0.3107758), wk = 0.0022727 k( 78) = ( 0.0000000 0.2895556 0.3107758), wk = 0.0022727 k( 79) = ( 0.0000000 0.2973814 0.3107758), wk = 0.0022727 k( 80) = ( 0.0000000 0.3052072 0.3107758), wk = 0.0022727 k( 81) = ( 0.0000000 0.3130331 0.3107758), wk = 0.0022727 k( 82) = ( 0.0000000 0.3130331 0.3107758), wk = 0.0022727 k( 83) = ( 0.0000000 0.3175128 0.3058341), wk = 0.0022727 k( 84) = ( 0.0000000 0.3219924 0.3008925), wk = 0.0022727 k( 85) = ( 0.0000000 0.3264721 0.2959508), wk = 0.0022727 k( 86) = ( 0.0000000 0.3264721 0.2959508), wk = 0.0022727 k( 87) = ( 0.0079365 0.3264721 0.2959508), wk = 0.0022727 k( 88) = ( 0.0158730 0.3264721 0.2959508), wk = 0.0022727 k( 89) = ( 0.0238095 0.3264721 0.2959508), wk = 0.0022727 k( 90) = ( 0.0317460 0.3264721 0.2959508), wk = 0.0022727 k( 91) = ( 0.0396825 0.3264721 0.2959508), wk = 0.0022727 k( 92) = ( 0.0476191 0.3264721 0.2959508), wk = 0.0022727 k( 93) = ( 0.0555556 0.3264721 0.2959508), wk = 0.0022727 k( 94) = ( 0.0634921 0.3264721 0.2959508), wk = 0.0022727 k( 95) = ( 0.0714286 0.3264721 0.2959508), wk = 0.0022727 k( 96) = ( 0.0793651 0.3264721 0.2959508), wk = 0.0022727 k( 97) = ( 0.0873016 0.3264721 0.2959508), wk = 0.0022727 k( 98) = ( 0.0952381 0.3264721 0.2959508), wk = 0.0022727 k( 99) = ( 0.1031746 0.3264721 0.2959508), wk = 0.0022727 k( 100) = ( 0.1111111 0.3264721 0.2959508), wk = 0.0022727 k( 101) = ( 0.1190476 0.3264721 0.2959508), wk = 0.0022727 k( 102) = ( 0.1269841 0.3264721 0.2959508), wk = 0.0022727 k( 103) = ( 0.1349206 0.3264721 0.2959508), wk = 0.0022727 k( 104) = ( 0.1428571 0.3264721 0.2959508), wk = 0.0022727 k( 105) = ( 0.1507937 0.3264721 0.2959508), wk = 0.0022727 k( 106) = ( 0.1587302 0.3264721 0.2959508), wk = 0.0022727 k( 107) = ( 0.1666667 0.3264721 0.2959508), wk = 0.0022727 k( 108) = ( 0.1746032 0.3264721 0.2959508), wk = 0.0022727 k( 109) = ( 0.1825397 0.3264721 0.2959508), wk = 0.0022727 k( 110) = ( 0.1904762 0.3264721 0.2959508), wk = 0.0022727 k( 111) = ( 0.1984127 0.3264721 0.2959508), wk = 0.0022727 k( 112) = ( 0.2063492 0.3264721 0.2959508), wk = 0.0022727 k( 113) = ( 0.2142857 0.3264721 0.2959508), wk = 0.0022727 k( 114) = ( 0.2222222 0.3264721 0.2959508), wk = 0.0022727 k( 115) = ( 0.2301587 0.3264721 0.2959508), wk = 0.0022727 k( 116) = ( 0.2380952 0.3264721 0.2959508), wk = 0.0022727 k( 117) = ( 0.2460317 0.3264721 0.2959508), wk = 0.0022727 k( 118) = ( 0.2539683 0.3264721 0.2959508), wk = 0.0022727 k( 119) = ( 0.2619048 0.3264721 0.2959508), wk = 0.0022727 k( 120) = ( 0.2698413 0.3264721 0.2959508), wk = 0.0022727 k( 121) = ( 0.2777778 0.3264721 0.2959508), wk = 0.0022727 k( 122) = ( 0.2857143 0.3264721 0.2959508), wk = 0.0022727 k( 123) = ( 0.2936508 0.3264721 0.2959508), wk = 0.0022727 k( 124) = ( 0.3015873 0.3264721 0.2959508), wk = 0.0022727 k( 125) = ( 0.3095238 0.3264721 0.2959508), wk = 0.0022727 k( 126) = ( 0.3174603 0.3264721 0.2959508), wk = 0.0022727 k( 127) = ( 0.3253968 0.3264721 0.2959508), wk = 0.0022727 k( 128) = ( 0.3333333 0.3264721 0.2959508), wk = 0.0022727 k( 129) = ( 0.3412698 0.3264721 0.2959508), wk = 0.0022727 k( 130) = ( 0.3492063 0.3264721 0.2959508), wk = 0.0022727 k( 131) = ( 0.3571429 0.3264721 0.2959508), wk = 0.0022727 k( 132) = ( 0.3650794 0.3264721 0.2959508), wk = 0.0022727 k( 133) = ( 0.3730159 0.3264721 0.2959508), wk = 0.0022727 k( 134) = ( 0.3809524 0.3264721 0.2959508), wk = 0.0022727 k( 135) = ( 0.3888889 0.3264721 0.2959508), wk = 0.0022727 k( 136) = ( 0.3968254 0.3264721 0.2959508), wk = 0.0022727 k( 137) = ( 0.4047619 0.3264721 0.2959508), wk = 0.0022727 k( 138) = ( 0.4126984 0.3264721 0.2959508), wk = 0.0022727 k( 139) = ( 0.4206349 0.3264721 0.2959508), wk = 0.0022727 k( 140) = ( 0.4285714 0.3264721 0.2959508), wk = 0.0022727 k( 141) = ( 0.4365079 0.3264721 0.2959508), wk = 0.0022727 k( 142) = ( 0.4444444 0.3264721 0.2959508), wk = 0.0022727 k( 143) = ( 0.4523810 0.3264721 0.2959508), wk = 0.0022727 k( 144) = ( 0.4603175 0.3264721 0.2959508), wk = 0.0022727 k( 145) = ( 0.4682540 0.3264721 0.2959508), wk = 0.0022727 k( 146) = ( 0.4761905 0.3264721 0.2959508), wk = 0.0022727 k( 147) = ( 0.4841270 0.3264721 0.2959508), wk = 0.0022727 k( 148) = ( 0.4920635 0.3264721 0.2959508), wk = 0.0022727 k( 149) = ( 0.5000000 0.3264721 0.2959508), wk = 0.0022727 k( 150) = ( 0.5000000 0.3264721 0.2959508), wk = 0.0022727 k( 151) = ( 0.5000000 0.3309518 0.2910091), wk = 0.0022727 k( 152) = ( 0.5000000 0.3354315 0.2860675), wk = 0.0022727 k( 153) = ( 0.5000000 0.3399112 0.2811258), wk = 0.0022727 k( 154) = ( 0.5000000 0.3399112 0.2811258), wk = 0.0022727 k( 155) = ( 0.5000000 0.3395575 0.2733376), wk = 0.0022727 k( 156) = ( 0.5000000 0.3392038 0.2655494), wk = 0.0022727 k( 157) = ( 0.5000000 0.3388502 0.2577613), wk = 0.0022727 k( 158) = ( 0.5000000 0.3384965 0.2499731), wk = 0.0022727 k( 159) = ( 0.5000000 0.3381429 0.2421849), wk = 0.0022727 k( 160) = ( 0.5000000 0.3377892 0.2343967), wk = 0.0022727 k( 161) = ( 0.5000000 0.3374356 0.2266085), wk = 0.0022727 k( 162) = ( 0.5000000 0.3370819 0.2188204), wk = 0.0022727 k( 163) = ( 0.5000000 0.3367282 0.2110322), wk = 0.0022727 k( 164) = ( 0.5000000 0.3363746 0.2032440), wk = 0.0022727 k( 165) = ( 0.5000000 0.3360209 0.1954558), wk = 0.0022727 k( 166) = ( 0.5000000 0.3356673 0.1876676), wk = 0.0022727 k( 167) = ( 0.5000000 0.3353136 0.1798795), wk = 0.0022727 k( 168) = ( 0.5000000 0.3349599 0.1720913), wk = 0.0022727 k( 169) = ( 0.5000000 0.3346063 0.1643031), wk = 0.0022727 k( 170) = ( 0.5000000 0.3342526 0.1565149), wk = 0.0022727 k( 171) = ( 0.5000000 0.3338990 0.1487268), wk = 0.0022727 k( 172) = ( 0.5000000 0.3335453 0.1409386), wk = 0.0022727 k( 173) = ( 0.5000000 0.3331916 0.1331504), wk = 0.0022727 k( 174) = ( 0.5000000 0.3328380 0.1253622), wk = 0.0022727 k( 175) = ( 0.5000000 0.3324843 0.1175740), wk = 0.0022727 k( 176) = ( 0.5000000 0.3321307 0.1097859), wk = 0.0022727 k( 177) = ( 0.5000000 0.3317770 0.1019977), wk = 0.0022727 k( 178) = ( 0.5000000 0.3314234 0.0942095), wk = 0.0022727 k( 179) = ( 0.5000000 0.3310697 0.0864213), wk = 0.0022727 k( 180) = ( 0.5000000 0.3307160 0.0786331), wk = 0.0022727 k( 181) = ( 0.5000000 0.3303624 0.0708450), wk = 0.0022727 k( 182) = ( 0.5000000 0.3300087 0.0630568), wk = 0.0022727 k( 183) = ( 0.5000000 0.3296551 0.0552686), wk = 0.0022727 k( 184) = ( 0.5000000 0.3293014 0.0474804), wk = 0.0022727 k( 185) = ( 0.5000000 0.3289477 0.0396922), wk = 0.0022727 k( 186) = ( 0.5000000 0.3285941 0.0319041), wk = 0.0022727 k( 187) = ( 0.5000000 0.3282404 0.0241159), wk = 0.0022727 k( 188) = ( 0.5000000 0.3278868 0.0163277), wk = 0.0022727 k( 189) = ( 0.5000000 0.3275331 0.0085395), wk = 0.0022727 k( 190) = ( 0.5000000 0.3271794 0.0007513), wk = 0.0022727 k( 191) = ( 0.5000000 0.3268258 -0.0070368), wk = 0.0022727 k( 192) = ( 0.5000000 0.3264721 -0.0148250), wk = 0.0022727 k( 193) = ( 0.5000000 0.3264721 -0.0148250), wk = 0.0022727 k( 194) = ( 0.4920635 0.3264721 -0.0148250), wk = 0.0022727 k( 195) = ( 0.4841270 0.3264721 -0.0148250), wk = 0.0022727 k( 196) = ( 0.4761905 0.3264721 -0.0148250), wk = 0.0022727 k( 197) = ( 0.4682540 0.3264721 -0.0148250), wk = 0.0022727 k( 198) = ( 0.4603175 0.3264721 -0.0148250), wk = 0.0022727 k( 199) = ( 0.4523810 0.3264721 -0.0148250), wk = 0.0022727 k( 200) = ( 0.4444444 0.3264721 -0.0148250), wk = 0.0022727 k( 201) = ( 0.4365079 0.3264721 -0.0148250), wk = 0.0022727 k( 202) = ( 0.4285714 0.3264721 -0.0148250), wk = 0.0022727 k( 203) = ( 0.4206349 0.3264721 -0.0148250), wk = 0.0022727 k( 204) = ( 0.4126984 0.3264721 -0.0148250), wk = 0.0022727 k( 205) = ( 0.4047619 0.3264721 -0.0148250), wk = 0.0022727 k( 206) = ( 0.3968254 0.3264721 -0.0148250), wk = 0.0022727 k( 207) = ( 0.3888889 0.3264721 -0.0148250), wk = 0.0022727 k( 208) = ( 0.3809524 0.3264721 -0.0148250), wk = 0.0022727 k( 209) = ( 0.3730159 0.3264721 -0.0148250), wk = 0.0022727 k( 210) = ( 0.3650794 0.3264721 -0.0148250), wk = 0.0022727 k( 211) = ( 0.3571429 0.3264721 -0.0148250), wk = 0.0022727 k( 212) = ( 0.3492063 0.3264721 -0.0148250), wk = 0.0022727 k( 213) = ( 0.3412698 0.3264721 -0.0148250), wk = 0.0022727 k( 214) = ( 0.3333333 0.3264721 -0.0148250), wk = 0.0022727 k( 215) = ( 0.3253968 0.3264721 -0.0148250), wk = 0.0022727 k( 216) = ( 0.3174603 0.3264721 -0.0148250), wk = 0.0022727 k( 217) = ( 0.3095238 0.3264721 -0.0148250), wk = 0.0022727 k( 218) = ( 0.3015873 0.3264721 -0.0148250), wk = 0.0022727 k( 219) = ( 0.2936508 0.3264721 -0.0148250), wk = 0.0022727 k( 220) = ( 0.2857143 0.3264721 -0.0148250), wk = 0.0022727 k( 221) = ( 0.2777778 0.3264721 -0.0148250), wk = 0.0022727 k( 222) = ( 0.2698413 0.3264721 -0.0148250), wk = 0.0022727 k( 223) = ( 0.2619048 0.3264721 -0.0148250), wk = 0.0022727 k( 224) = ( 0.2539683 0.3264721 -0.0148250), wk = 0.0022727 k( 225) = ( 0.2460317 0.3264721 -0.0148250), wk = 0.0022727 k( 226) = ( 0.2380952 0.3264721 -0.0148250), wk = 0.0022727 k( 227) = ( 0.2301587 0.3264721 -0.0148250), wk = 0.0022727 k( 228) = ( 0.2222222 0.3264721 -0.0148250), wk = 0.0022727 k( 229) = ( 0.2142857 0.3264721 -0.0148250), wk = 0.0022727 k( 230) = ( 0.2063492 0.3264721 -0.0148250), wk = 0.0022727 k( 231) = ( 0.1984127 0.3264721 -0.0148250), wk = 0.0022727 k( 232) = ( 0.1904762 0.3264721 -0.0148250), wk = 0.0022727 k( 233) = ( 0.1825397 0.3264721 -0.0148250), wk = 0.0022727 k( 234) = ( 0.1746032 0.3264721 -0.0148250), wk = 0.0022727 k( 235) = ( 0.1666667 0.3264721 -0.0148250), wk = 0.0022727 k( 236) = ( 0.1587302 0.3264721 -0.0148250), wk = 0.0022727 k( 237) = ( 0.1507937 0.3264721 -0.0148250), wk = 0.0022727 k( 238) = ( 0.1428571 0.3264721 -0.0148250), wk = 0.0022727 k( 239) = ( 0.1349206 0.3264721 -0.0148250), wk = 0.0022727 k( 240) = ( 0.1269841 0.3264721 -0.0148250), wk = 0.0022727 k( 241) = ( 0.1190476 0.3264721 -0.0148250), wk = 0.0022727 k( 242) = ( 0.1111111 0.3264721 -0.0148250), wk = 0.0022727 k( 243) = ( 0.1031746 0.3264721 -0.0148250), wk = 0.0022727 k( 244) = ( 0.0952381 0.3264721 -0.0148250), wk = 0.0022727 k( 245) = ( 0.0873016 0.3264721 -0.0148250), wk = 0.0022727 k( 246) = ( 0.0793651 0.3264721 -0.0148250), wk = 0.0022727 k( 247) = ( 0.0714286 0.3264721 -0.0148250), wk = 0.0022727 k( 248) = ( 0.0634921 0.3264721 -0.0148250), wk = 0.0022727 k( 249) = ( 0.0555556 0.3264721 -0.0148250), wk = 0.0022727 k( 250) = ( 0.0476191 0.3264721 -0.0148250), wk = 0.0022727 k( 251) = ( 0.0396825 0.3264721 -0.0148250), wk = 0.0022727 k( 252) = ( 0.0317460 0.3264721 -0.0148250), wk = 0.0022727 k( 253) = ( 0.0238095 0.3264721 -0.0148250), wk = 0.0022727 k( 254) = ( 0.0158730 0.3264721 -0.0148250), wk = 0.0022727 k( 255) = ( 0.0079365 0.3264721 -0.0148250), wk = 0.0022727 k( 256) = ( 0.0000000 0.3264721 -0.0148250), wk = 0.0022727 k( 257) = ( 0.0000000 0.3264721 -0.0148250), wk = 0.0022727 k( 258) = ( 0.0000000 0.3268258 -0.0070368), wk = 0.0022727 k( 259) = ( 0.0000000 0.3271794 0.0007513), wk = 0.0022727 k( 260) = ( 0.0000000 0.3275331 0.0085395), wk = 0.0022727 k( 261) = ( 0.0000000 0.3278868 0.0163277), wk = 0.0022727 k( 262) = ( 0.0000000 0.3282404 0.0241159), wk = 0.0022727 k( 263) = ( 0.0000000 0.3285941 0.0319041), wk = 0.0022727 k( 264) = ( 0.0000000 0.3289477 0.0396922), wk = 0.0022727 k( 265) = ( 0.0000000 0.3293014 0.0474804), wk = 0.0022727 k( 266) = ( 0.0000000 0.3296551 0.0552686), wk = 0.0022727 k( 267) = ( 0.0000000 0.3300087 0.0630568), wk = 0.0022727 k( 268) = ( 0.0000000 0.3303624 0.0708450), wk = 0.0022727 k( 269) = ( 0.0000000 0.3307160 0.0786331), wk = 0.0022727 k( 270) = ( 0.0000000 0.3310697 0.0864213), wk = 0.0022727 k( 271) = ( 0.0000000 0.3314234 0.0942095), wk = 0.0022727 k( 272) = ( 0.0000000 0.3317770 0.1019977), wk = 0.0022727 k( 273) = ( 0.0000000 0.3321307 0.1097859), wk = 0.0022727 k( 274) = ( 0.0000000 0.3324843 0.1175740), wk = 0.0022727 k( 275) = ( 0.0000000 0.3328380 0.1253622), wk = 0.0022727 k( 276) = ( 0.0000000 0.3331916 0.1331504), wk = 0.0022727 k( 277) = ( 0.0000000 0.3335453 0.1409386), wk = 0.0022727 k( 278) = ( 0.0000000 0.3338990 0.1487268), wk = 0.0022727 k( 279) = ( 0.0000000 0.3342526 0.1565149), wk = 0.0022727 k( 280) = ( 0.0000000 0.3346063 0.1643031), wk = 0.0022727 k( 281) = ( 0.0000000 0.3349599 0.1720913), wk = 0.0022727 k( 282) = ( 0.0000000 0.3353136 0.1798795), wk = 0.0022727 k( 283) = ( 0.0000000 0.3356673 0.1876676), wk = 0.0022727 k( 284) = ( 0.0000000 0.3360209 0.1954558), wk = 0.0022727 k( 285) = ( 0.0000000 0.3363746 0.2032440), wk = 0.0022727 k( 286) = ( 0.0000000 0.3367282 0.2110322), wk = 0.0022727 k( 287) = ( 0.0000000 0.3370819 0.2188204), wk = 0.0022727 k( 288) = ( 0.0000000 0.3374356 0.2266085), wk = 0.0022727 k( 289) = ( 0.0000000 0.3377892 0.2343967), wk = 0.0022727 k( 290) = ( 0.0000000 0.3381429 0.2421849), wk = 0.0022727 k( 291) = ( 0.0000000 0.3384965 0.2499731), wk = 0.0022727 k( 292) = ( 0.0000000 0.3388502 0.2577613), wk = 0.0022727 k( 293) = ( 0.0000000 0.3392038 0.2655494), wk = 0.0022727 k( 294) = ( 0.0000000 0.3395575 0.2733376), wk = 0.0022727 k( 295) = ( 0.0000000 0.3399112 0.2811258), wk = 0.0022727 k( 296) = ( 0.5000000 0.3130331 0.3107758), wk = 0.0022727 k( 297) = ( 0.5000000 0.3052072 0.3107758), wk = 0.0022727 k( 298) = ( 0.5000000 0.2973814 0.3107758), wk = 0.0022727 k( 299) = ( 0.5000000 0.2895556 0.3107758), wk = 0.0022727 k( 300) = ( 0.5000000 0.2817298 0.3107758), wk = 0.0022727 k( 301) = ( 0.5000000 0.2739039 0.3107758), wk = 0.0022727 k( 302) = ( 0.5000000 0.2660781 0.3107758), wk = 0.0022727 k( 303) = ( 0.5000000 0.2582523 0.3107758), wk = 0.0022727 k( 304) = ( 0.5000000 0.2504265 0.3107758), wk = 0.0022727 k( 305) = ( 0.5000000 0.2426006 0.3107758), wk = 0.0022727 k( 306) = ( 0.5000000 0.2347748 0.3107758), wk = 0.0022727 k( 307) = ( 0.5000000 0.2269490 0.3107758), wk = 0.0022727 k( 308) = ( 0.5000000 0.2191232 0.3107758), wk = 0.0022727 k( 309) = ( 0.5000000 0.2112973 0.3107758), wk = 0.0022727 k( 310) = ( 0.5000000 0.2034715 0.3107758), wk = 0.0022727 k( 311) = ( 0.5000000 0.1956457 0.3107758), wk = 0.0022727 k( 312) = ( 0.5000000 0.1878198 0.3107758), wk = 0.0022727 k( 313) = ( 0.5000000 0.1799940 0.3107758), wk = 0.0022727 k( 314) = ( 0.5000000 0.1721682 0.3107758), wk = 0.0022727 k( 315) = ( 0.5000000 0.1643424 0.3107758), wk = 0.0022727 k( 316) = ( 0.5000000 0.1565165 0.3107758), wk = 0.0022727 k( 317) = ( 0.5000000 0.1486907 0.3107758), wk = 0.0022727 k( 318) = ( 0.5000000 0.1408649 0.3107758), wk = 0.0022727 k( 319) = ( 0.5000000 0.1330391 0.3107758), wk = 0.0022727 k( 320) = ( 0.5000000 0.1252132 0.3107758), wk = 0.0022727 k( 321) = ( 0.5000000 0.1173874 0.3107758), wk = 0.0022727 k( 322) = ( 0.5000000 0.1095616 0.3107758), wk = 0.0022727 k( 323) = ( 0.5000000 0.1017358 0.3107758), wk = 0.0022727 k( 324) = ( 0.5000000 0.0939099 0.3107758), wk = 0.0022727 k( 325) = ( 0.5000000 0.0860841 0.3107758), wk = 0.0022727 k( 326) = ( 0.5000000 0.0782583 0.3107758), wk = 0.0022727 k( 327) = ( 0.5000000 0.0704324 0.3107758), wk = 0.0022727 k( 328) = ( 0.5000000 0.0626066 0.3107758), wk = 0.0022727 k( 329) = ( 0.5000000 0.0547808 0.3107758), wk = 0.0022727 k( 330) = ( 0.5000000 0.0469550 0.3107758), wk = 0.0022727 k( 331) = ( 0.5000000 0.0391291 0.3107758), wk = 0.0022727 k( 332) = ( 0.5000000 0.0313033 0.3107758), wk = 0.0022727 k( 333) = ( 0.5000000 0.0234775 0.3107758), wk = 0.0022727 k( 334) = ( 0.5000000 0.0156517 0.3107758), wk = 0.0022727 k( 335) = ( 0.5000000 0.0078258 0.3107758), wk = 0.0022727 k( 336) = ( 0.5000000 -0.0000000 0.3107758), wk = 0.0022727 k( 337) = ( 0.5000000 -0.0000000 0.3107758), wk = 0.0022727 k( 338) = ( 0.5000000 -0.0000000 0.3028072), wk = 0.0022727 k( 339) = ( 0.5000000 -0.0000000 0.2948386), wk = 0.0022727 k( 340) = ( 0.5000000 -0.0000000 0.2868700), wk = 0.0022727 k( 341) = ( 0.5000000 -0.0000000 0.2789014), wk = 0.0022727 k( 342) = ( 0.5000000 -0.0000000 0.2709328), wk = 0.0022727 k( 343) = ( 0.5000000 -0.0000000 0.2629642), wk = 0.0022727 k( 344) = ( 0.5000000 -0.0000000 0.2549955), wk = 0.0022727 k( 345) = ( 0.5000000 -0.0000000 0.2470269), wk = 0.0022727 k( 346) = ( 0.5000000 -0.0000000 0.2390583), wk = 0.0022727 k( 347) = ( 0.5000000 -0.0000000 0.2310897), wk = 0.0022727 k( 348) = ( 0.5000000 -0.0000000 0.2231211), wk = 0.0022727 k( 349) = ( 0.5000000 -0.0000000 0.2151525), wk = 0.0022727 k( 350) = ( 0.5000000 -0.0000000 0.2071839), wk = 0.0022727 k( 351) = ( 0.5000000 -0.0000000 0.1992153), wk = 0.0022727 k( 352) = ( 0.5000000 -0.0000000 0.1912467), wk = 0.0022727 k( 353) = ( 0.5000000 -0.0000000 0.1832780), wk = 0.0022727 k( 354) = ( 0.5000000 -0.0000000 0.1753094), wk = 0.0022727 k( 355) = ( 0.5000000 -0.0000000 0.1673408), wk = 0.0022727 k( 356) = ( 0.5000000 -0.0000000 0.1593722), wk = 0.0022727 k( 357) = ( 0.5000000 -0.0000000 0.1514036), wk = 0.0022727 k( 358) = ( 0.5000000 -0.0000000 0.1434350), wk = 0.0022727 k( 359) = ( 0.5000000 -0.0000000 0.1354664), wk = 0.0022727 k( 360) = ( 0.5000000 -0.0000000 0.1274978), wk = 0.0022727 k( 361) = ( 0.5000000 -0.0000000 0.1195292), wk = 0.0022727 k( 362) = ( 0.5000000 -0.0000000 0.1115606), wk = 0.0022727 k( 363) = ( 0.5000000 -0.0000000 0.1035919), wk = 0.0022727 k( 364) = ( 0.5000000 -0.0000000 0.0956233), wk = 0.0022727 k( 365) = ( 0.5000000 -0.0000000 0.0876547), wk = 0.0022727 k( 366) = ( 0.5000000 -0.0000000 0.0796861), wk = 0.0022727 k( 367) = ( 0.5000000 -0.0000000 0.0717175), wk = 0.0022727 k( 368) = ( 0.5000000 -0.0000000 0.0637489), wk = 0.0022727 k( 369) = ( 0.5000000 -0.0000000 0.0557803), wk = 0.0022727 k( 370) = ( 0.5000000 -0.0000000 0.0478117), wk = 0.0022727 k( 371) = ( 0.5000000 -0.0000000 0.0398431), wk = 0.0022727 k( 372) = ( 0.5000000 -0.0000000 0.0318744), wk = 0.0022727 k( 373) = ( 0.5000000 -0.0000000 0.0239058), wk = 0.0022727 k( 374) = ( 0.5000000 -0.0000000 0.0159372), wk = 0.0022727 k( 375) = ( 0.5000000 -0.0000000 0.0079686), wk = 0.0022727 k( 376) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022727 k( 377) = ( 0.0000000 0.0000000 0.3107758), wk = 0.0022727 k( 378) = ( 0.0079365 -0.0000000 0.3107758), wk = 0.0022727 k( 379) = ( 0.0158730 -0.0000000 0.3107758), wk = 0.0022727 k( 380) = ( 0.0238095 -0.0000000 0.3107758), wk = 0.0022727 k( 381) = ( 0.0317460 -0.0000000 0.3107758), wk = 0.0022727 k( 382) = ( 0.0396825 -0.0000000 0.3107758), wk = 0.0022727 k( 383) = ( 0.0476191 -0.0000000 0.3107758), wk = 0.0022727 k( 384) = ( 0.0555556 -0.0000000 0.3107758), wk = 0.0022727 k( 385) = ( 0.0634921 -0.0000000 0.3107758), wk = 0.0022727 k( 386) = ( 0.0714286 -0.0000000 0.3107758), wk = 0.0022727 k( 387) = ( 0.0793651 -0.0000000 0.3107758), wk = 0.0022727 k( 388) = ( 0.0873016 -0.0000000 0.3107758), wk = 0.0022727 k( 389) = ( 0.0952381 -0.0000000 0.3107758), wk = 0.0022727 k( 390) = ( 0.1031746 -0.0000000 0.3107758), wk = 0.0022727 k( 391) = ( 0.1111111 -0.0000000 0.3107758), wk = 0.0022727 k( 392) = ( 0.1190476 -0.0000000 0.3107758), wk = 0.0022727 k( 393) = ( 0.1269841 -0.0000000 0.3107758), wk = 0.0022727 k( 394) = ( 0.1349206 -0.0000000 0.3107758), wk = 0.0022727 k( 395) = ( 0.1428571 -0.0000000 0.3107758), wk = 0.0022727 k( 396) = ( 0.1507937 -0.0000000 0.3107758), wk = 0.0022727 k( 397) = ( 0.1587302 -0.0000000 0.3107758), wk = 0.0022727 k( 398) = ( 0.1666667 -0.0000000 0.3107758), wk = 0.0022727 k( 399) = ( 0.1746032 -0.0000000 0.3107758), wk = 0.0022727 k( 400) = ( 0.1825397 -0.0000000 0.3107758), wk = 0.0022727 k( 401) = ( 0.1904762 -0.0000000 0.3107758), wk = 0.0022727 k( 402) = ( 0.1984127 -0.0000000 0.3107758), wk = 0.0022727 k( 403) = ( 0.2063492 -0.0000000 0.3107758), wk = 0.0022727 k( 404) = ( 0.2142857 -0.0000000 0.3107758), wk = 0.0022727 k( 405) = ( 0.2222222 -0.0000000 0.3107758), wk = 0.0022727 k( 406) = ( 0.2301587 -0.0000000 0.3107758), wk = 0.0022727 k( 407) = ( 0.2380952 -0.0000000 0.3107758), wk = 0.0022727 k( 408) = ( 0.2460317 -0.0000000 0.3107758), wk = 0.0022727 k( 409) = ( 0.2539683 -0.0000000 0.3107758), wk = 0.0022727 k( 410) = ( 0.2619048 -0.0000000 0.3107758), wk = 0.0022727 k( 411) = ( 0.2698413 -0.0000000 0.3107758), wk = 0.0022727 k( 412) = ( 0.2777778 -0.0000000 0.3107758), wk = 0.0022727 k( 413) = ( 0.2857143 -0.0000000 0.3107758), wk = 0.0022727 k( 414) = ( 0.2936508 -0.0000000 0.3107758), wk = 0.0022727 k( 415) = ( 0.3015873 -0.0000000 0.3107758), wk = 0.0022727 k( 416) = ( 0.3095238 -0.0000000 0.3107758), wk = 0.0022727 k( 417) = ( 0.3174603 -0.0000000 0.3107758), wk = 0.0022727 k( 418) = ( 0.3253968 -0.0000000 0.3107758), wk = 0.0022727 k( 419) = ( 0.3333333 -0.0000000 0.3107758), wk = 0.0022727 k( 420) = ( 0.3412698 -0.0000000 0.3107758), wk = 0.0022727 k( 421) = ( 0.3492063 -0.0000000 0.3107758), wk = 0.0022727 k( 422) = ( 0.3571429 -0.0000000 0.3107758), wk = 0.0022727 k( 423) = ( 0.3650794 -0.0000000 0.3107758), wk = 0.0022727 k( 424) = ( 0.3730159 -0.0000000 0.3107758), wk = 0.0022727 k( 425) = ( 0.3809524 -0.0000000 0.3107758), wk = 0.0022727 k( 426) = ( 0.3888889 -0.0000000 0.3107758), wk = 0.0022727 k( 427) = ( 0.3968254 -0.0000000 0.3107758), wk = 0.0022727 k( 428) = ( 0.4047619 -0.0000000 0.3107758), wk = 0.0022727 k( 429) = ( 0.4126984 -0.0000000 0.3107758), wk = 0.0022727 k( 430) = ( 0.4206349 -0.0000000 0.3107758), wk = 0.0022727 k( 431) = ( 0.4285714 -0.0000000 0.3107758), wk = 0.0022727 k( 432) = ( 0.4365079 -0.0000000 0.3107758), wk = 0.0022727 k( 433) = ( 0.4444444 -0.0000000 0.3107758), wk = 0.0022727 k( 434) = ( 0.4523810 -0.0000000 0.3107758), wk = 0.0022727 k( 435) = ( 0.4603175 -0.0000000 0.3107758), wk = 0.0022727 k( 436) = ( 0.4682540 -0.0000000 0.3107758), wk = 0.0022727 k( 437) = ( 0.4761905 -0.0000000 0.3107758), wk = 0.0022727 k( 438) = ( 0.4841270 -0.0000000 0.3107758), wk = 0.0022727 k( 439) = ( 0.4920635 -0.0000000 0.3107758), wk = 0.0022727 k( 440) = ( 0.5000000 -0.0000000 0.3107758), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0022727 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0022727 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0022727 k( 5) = ( 0.0000000 0.0000000 0.0512820), wk = 0.0022727 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0022727 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0022727 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0022727 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0022727 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0022727 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0022727 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0022727 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0022727 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022727 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0022727 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0022727 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0022727 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0022727 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0022727 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0022727 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0022727 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0022727 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0022727 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0022727 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0022727 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0022727 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022727 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0022727 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0022727 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0022727 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0022727 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0022727 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0022727 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0022727 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0022727 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0022727 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0022727 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0022727 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0022727 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 42) = ( 0.0000000 0.0119854 0.5005717), wk = 0.0022727 k( 43) = ( 0.0000000 0.0239709 0.5011435), wk = 0.0022727 k( 44) = ( 0.0000000 0.0359563 0.5017152), wk = 0.0022727 k( 45) = ( 0.0000000 0.0479418 0.5022870), wk = 0.0022727 k( 46) = ( 0.0000000 0.0599272 0.5028587), wk = 0.0022727 k( 47) = ( 0.0000000 0.0719127 0.5034305), wk = 0.0022727 k( 48) = ( 0.0000000 0.0838981 0.5040022), wk = 0.0022727 k( 49) = ( 0.0000000 0.0958835 0.5045740), wk = 0.0022727 k( 50) = ( 0.0000000 0.1078690 0.5051457), wk = 0.0022727 k( 51) = ( 0.0000000 0.1198544 0.5057174), wk = 0.0022727 k( 52) = ( 0.0000000 0.1318399 0.5062892), wk = 0.0022727 k( 53) = ( 0.0000000 0.1438253 0.5068609), wk = 0.0022727 k( 54) = ( 0.0000000 0.1558108 0.5074327), wk = 0.0022727 k( 55) = ( 0.0000000 0.1677962 0.5080044), wk = 0.0022727 k( 56) = ( 0.0000000 0.1797817 0.5085762), wk = 0.0022727 k( 57) = ( 0.0000000 0.1917671 0.5091479), wk = 0.0022727 k( 58) = ( 0.0000000 0.2037525 0.5097197), wk = 0.0022727 k( 59) = ( 0.0000000 0.2157380 0.5102914), wk = 0.0022727 k( 60) = ( 0.0000000 0.2277234 0.5108631), wk = 0.0022727 k( 61) = ( 0.0000000 0.2397089 0.5114349), wk = 0.0022727 k( 62) = ( 0.0000000 0.2516943 0.5120066), wk = 0.0022727 k( 63) = ( 0.0000000 0.2636798 0.5125784), wk = 0.0022727 k( 64) = ( 0.0000000 0.2756652 0.5131501), wk = 0.0022727 k( 65) = ( 0.0000000 0.2876507 0.5137219), wk = 0.0022727 k( 66) = ( 0.0000000 0.2996361 0.5142936), wk = 0.0022727 k( 67) = ( 0.0000000 0.3116216 0.5148654), wk = 0.0022727 k( 68) = ( 0.0000000 0.3236070 0.5154371), wk = 0.0022727 k( 69) = ( 0.0000000 0.3355924 0.5160088), wk = 0.0022727 k( 70) = ( 0.0000000 0.3475779 0.5165806), wk = 0.0022727 k( 71) = ( 0.0000000 0.3595633 0.5171523), wk = 0.0022727 k( 72) = ( 0.0000000 0.3715488 0.5177241), wk = 0.0022727 k( 73) = ( 0.0000000 0.3835342 0.5182958), wk = 0.0022727 k( 74) = ( 0.0000000 0.3955197 0.5188676), wk = 0.0022727 k( 75) = ( 0.0000000 0.4075051 0.5194393), wk = 0.0022727 k( 76) = ( 0.0000000 0.4194905 0.5200111), wk = 0.0022727 k( 77) = ( 0.0000000 0.4314760 0.5205828), wk = 0.0022727 k( 78) = ( 0.0000000 0.4434614 0.5211545), wk = 0.0022727 k( 79) = ( 0.0000000 0.4554469 0.5217263), wk = 0.0022727 k( 80) = ( 0.0000000 0.4674323 0.5222980), wk = 0.0022727 k( 81) = ( 0.0000000 0.4794178 0.5228698), wk = 0.0022727 k( 82) = ( 0.0000000 0.4794178 0.5228698), wk = 0.0022727 k( 83) = ( 0.0000000 0.4862785 0.5152465), wk = 0.0022727 k( 84) = ( 0.0000000 0.4931393 0.5076233), wk = 0.0022727 k( 85) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 86) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 87) = ( 0.0079365 0.5000000 0.5000000), wk = 0.0022727 k( 88) = ( 0.0158730 0.5000000 0.5000000), wk = 0.0022727 k( 89) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0022727 k( 90) = ( 0.0317460 0.5000000 0.5000000), wk = 0.0022727 k( 91) = ( 0.0396825 0.5000000 0.5000000), wk = 0.0022727 k( 92) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0022727 k( 93) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0022727 k( 94) = ( 0.0634921 0.5000000 0.5000000), wk = 0.0022727 k( 95) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0022727 k( 96) = ( 0.0793651 0.5000000 0.5000000), wk = 0.0022727 k( 97) = ( 0.0873016 0.5000000 0.5000000), wk = 0.0022727 k( 98) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0022727 k( 99) = ( 0.1031746 0.5000000 0.5000000), wk = 0.0022727 k( 100) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0022727 k( 101) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0022727 k( 102) = ( 0.1269841 0.5000000 0.5000000), wk = 0.0022727 k( 103) = ( 0.1349206 0.5000000 0.5000000), wk = 0.0022727 k( 104) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0022727 k( 105) = ( 0.1507937 0.5000000 0.5000000), wk = 0.0022727 k( 106) = ( 0.1587302 0.5000000 0.5000000), wk = 0.0022727 k( 107) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022727 k( 108) = ( 0.1746032 0.5000000 0.5000000), wk = 0.0022727 k( 109) = ( 0.1825397 0.5000000 0.5000000), wk = 0.0022727 k( 110) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0022727 k( 111) = ( 0.1984127 0.5000000 0.5000000), wk = 0.0022727 k( 112) = ( 0.2063492 0.5000000 0.5000000), wk = 0.0022727 k( 113) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0022727 k( 114) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0022727 k( 115) = ( 0.2301587 0.5000000 0.5000000), wk = 0.0022727 k( 116) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0022727 k( 117) = ( 0.2460317 0.5000000 0.5000000), wk = 0.0022727 k( 118) = ( 0.2539683 0.5000000 0.5000000), wk = 0.0022727 k( 119) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0022727 k( 120) = ( 0.2698413 0.5000000 0.5000000), wk = 0.0022727 k( 121) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0022727 k( 122) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0022727 k( 123) = ( 0.2936508 0.5000000 0.5000000), wk = 0.0022727 k( 124) = ( 0.3015873 0.5000000 0.5000000), wk = 0.0022727 k( 125) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0022727 k( 126) = ( 0.3174603 0.5000000 0.5000000), wk = 0.0022727 k( 127) = ( 0.3253968 0.5000000 0.5000000), wk = 0.0022727 k( 128) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022727 k( 129) = ( 0.3412698 0.5000000 0.5000000), wk = 0.0022727 k( 130) = ( 0.3492063 0.5000000 0.5000000), wk = 0.0022727 k( 131) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0022727 k( 132) = ( 0.3650794 0.5000000 0.5000000), wk = 0.0022727 k( 133) = ( 0.3730159 0.5000000 0.5000000), wk = 0.0022727 k( 134) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0022727 k( 135) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0022727 k( 136) = ( 0.3968254 0.5000000 0.5000000), wk = 0.0022727 k( 137) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0022727 k( 138) = ( 0.4126984 0.5000000 0.5000000), wk = 0.0022727 k( 139) = ( 0.4206349 0.5000000 0.5000000), wk = 0.0022727 k( 140) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0022727 k( 141) = ( 0.4365079 0.5000000 0.5000000), wk = 0.0022727 k( 142) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0022727 k( 143) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0022727 k( 144) = ( 0.4603175 0.5000000 0.5000000), wk = 0.0022727 k( 145) = ( 0.4682540 0.5000000 0.5000000), wk = 0.0022727 k( 146) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0022727 k( 147) = ( 0.4841270 0.5000000 0.5000000), wk = 0.0022727 k( 148) = ( 0.4920635 0.5000000 0.5000000), wk = 0.0022727 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 151) = ( 0.5000000 0.5068607 0.4923767), wk = 0.0022727 k( 152) = ( 0.5000000 0.5137215 0.4847535), wk = 0.0022727 k( 153) = ( 0.5000000 0.5205822 0.4771302), wk = 0.0022727 k( 154) = ( 0.5000000 0.5205822 0.4771302), wk = 0.0022727 k( 155) = ( 0.5000000 0.5200406 0.4645742), wk = 0.0022727 k( 156) = ( 0.5000000 0.5194990 0.4520181), wk = 0.0022727 k( 157) = ( 0.5000000 0.5189573 0.4394620), wk = 0.0022727 k( 158) = ( 0.5000000 0.5184157 0.4269060), wk = 0.0022727 k( 159) = ( 0.5000000 0.5178740 0.4143499), wk = 0.0022727 k( 160) = ( 0.5000000 0.5173324 0.4017939), wk = 0.0022727 k( 161) = ( 0.5000000 0.5167908 0.3892378), wk = 0.0022727 k( 162) = ( 0.5000000 0.5162491 0.3766817), wk = 0.0022727 k( 163) = ( 0.5000000 0.5157075 0.3641257), wk = 0.0022727 k( 164) = ( 0.5000000 0.5151658 0.3515696), wk = 0.0022727 k( 165) = ( 0.5000000 0.5146242 0.3390136), wk = 0.0022727 k( 166) = ( 0.5000000 0.5140826 0.3264575), wk = 0.0022727 k( 167) = ( 0.5000000 0.5135409 0.3139015), wk = 0.0022727 k( 168) = ( 0.5000000 0.5129993 0.3013454), wk = 0.0022727 k( 169) = ( 0.5000000 0.5124577 0.2887893), wk = 0.0022727 k( 170) = ( 0.5000000 0.5119160 0.2762333), wk = 0.0022727 k( 171) = ( 0.5000000 0.5113744 0.2636772), wk = 0.0022727 k( 172) = ( 0.5000000 0.5108327 0.2511212), wk = 0.0022727 k( 173) = ( 0.5000000 0.5102911 0.2385651), wk = 0.0022727 k( 174) = ( 0.5000000 0.5097495 0.2260090), wk = 0.0022727 k( 175) = ( 0.5000000 0.5092078 0.2134530), wk = 0.0022727 k( 176) = ( 0.5000000 0.5086662 0.2008969), wk = 0.0022727 k( 177) = ( 0.5000000 0.5081246 0.1883409), wk = 0.0022727 k( 178) = ( 0.5000000 0.5075829 0.1757848), wk = 0.0022727 k( 179) = ( 0.5000000 0.5070413 0.1632288), wk = 0.0022727 k( 180) = ( 0.5000000 0.5064996 0.1506727), wk = 0.0022727 k( 181) = ( 0.5000000 0.5059580 0.1381166), wk = 0.0022727 k( 182) = ( 0.5000000 0.5054164 0.1255606), wk = 0.0022727 k( 183) = ( 0.5000000 0.5048747 0.1130045), wk = 0.0022727 k( 184) = ( 0.5000000 0.5043331 0.1004485), wk = 0.0022727 k( 185) = ( 0.5000000 0.5037915 0.0878924), wk = 0.0022727 k( 186) = ( 0.5000000 0.5032498 0.0753363), wk = 0.0022727 k( 187) = ( 0.5000000 0.5027082 0.0627803), wk = 0.0022727 k( 188) = ( 0.5000000 0.5021665 0.0502242), wk = 0.0022727 k( 189) = ( 0.5000000 0.5016249 0.0376682), wk = 0.0022727 k( 190) = ( 0.5000000 0.5010833 0.0251121), wk = 0.0022727 k( 191) = ( 0.5000000 0.5005416 0.0125561), wk = 0.0022727 k( 192) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 193) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 194) = ( 0.4920635 0.5000000 -0.0000000), wk = 0.0022727 k( 195) = ( 0.4841270 0.5000000 -0.0000000), wk = 0.0022727 k( 196) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0022727 k( 197) = ( 0.4682540 0.5000000 -0.0000000), wk = 0.0022727 k( 198) = ( 0.4603175 0.5000000 -0.0000000), wk = 0.0022727 k( 199) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0022727 k( 200) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0022727 k( 201) = ( 0.4365079 0.5000000 -0.0000000), wk = 0.0022727 k( 202) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0022727 k( 203) = ( 0.4206349 0.5000000 -0.0000000), wk = 0.0022727 k( 204) = ( 0.4126984 0.5000000 -0.0000000), wk = 0.0022727 k( 205) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0022727 k( 206) = ( 0.3968254 0.5000000 -0.0000000), wk = 0.0022727 k( 207) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0022727 k( 208) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0022727 k( 209) = ( 0.3730159 0.5000000 -0.0000000), wk = 0.0022727 k( 210) = ( 0.3650794 0.5000000 -0.0000000), wk = 0.0022727 k( 211) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0022727 k( 212) = ( 0.3492063 0.5000000 -0.0000000), wk = 0.0022727 k( 213) = ( 0.3412698 0.5000000 -0.0000000), wk = 0.0022727 k( 214) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022727 k( 215) = ( 0.3253968 0.5000000 -0.0000000), wk = 0.0022727 k( 216) = ( 0.3174603 0.5000000 -0.0000000), wk = 0.0022727 k( 217) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0022727 k( 218) = ( 0.3015873 0.5000000 -0.0000000), wk = 0.0022727 k( 219) = ( 0.2936508 0.5000000 -0.0000000), wk = 0.0022727 k( 220) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0022727 k( 221) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0022727 k( 222) = ( 0.2698413 0.5000000 0.0000000), wk = 0.0022727 k( 223) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0022727 k( 224) = ( 0.2539683 0.5000000 0.0000000), wk = 0.0022727 k( 225) = ( 0.2460317 0.5000000 -0.0000000), wk = 0.0022727 k( 226) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0022727 k( 227) = ( 0.2301587 0.5000000 0.0000000), wk = 0.0022727 k( 228) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0022727 k( 229) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0022727 k( 230) = ( 0.2063492 0.5000000 0.0000000), wk = 0.0022727 k( 231) = ( 0.1984127 0.5000000 0.0000000), wk = 0.0022727 k( 232) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0022727 k( 233) = ( 0.1825397 0.5000000 0.0000000), wk = 0.0022727 k( 234) = ( 0.1746032 0.5000000 0.0000000), wk = 0.0022727 k( 235) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022727 k( 236) = ( 0.1587302 0.5000000 -0.0000000), wk = 0.0022727 k( 237) = ( 0.1507937 0.5000000 0.0000000), wk = 0.0022727 k( 238) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0022727 k( 239) = ( 0.1349206 0.5000000 0.0000000), wk = 0.0022727 k( 240) = ( 0.1269841 0.5000000 0.0000000), wk = 0.0022727 k( 241) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0022727 k( 242) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0022727 k( 243) = ( 0.1031746 0.5000000 0.0000000), wk = 0.0022727 k( 244) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0022727 k( 245) = ( 0.0873016 0.5000000 0.0000000), wk = 0.0022727 k( 246) = ( 0.0793651 0.5000000 0.0000000), wk = 0.0022727 k( 247) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0022727 k( 248) = ( 0.0634921 0.5000000 0.0000000), wk = 0.0022727 k( 249) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0022727 k( 250) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0022727 k( 251) = ( 0.0396825 0.5000000 0.0000000), wk = 0.0022727 k( 252) = ( 0.0317460 0.5000000 -0.0000000), wk = 0.0022727 k( 253) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0022727 k( 254) = ( 0.0158730 0.5000000 0.0000000), wk = 0.0022727 k( 255) = ( 0.0079365 0.5000000 0.0000000), wk = 0.0022727 k( 256) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 257) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022727 k( 258) = ( 0.0000000 0.5005416 0.0125561), wk = 0.0022727 k( 259) = ( 0.0000000 0.5010833 0.0251121), wk = 0.0022727 k( 260) = ( 0.0000000 0.5016249 0.0376682), wk = 0.0022727 k( 261) = ( 0.0000000 0.5021665 0.0502242), wk = 0.0022727 k( 262) = ( 0.0000000 0.5027082 0.0627803), wk = 0.0022727 k( 263) = ( 0.0000000 0.5032498 0.0753363), wk = 0.0022727 k( 264) = ( 0.0000000 0.5037915 0.0878924), wk = 0.0022727 k( 265) = ( 0.0000000 0.5043331 0.1004485), wk = 0.0022727 k( 266) = ( 0.0000000 0.5048747 0.1130045), wk = 0.0022727 k( 267) = ( 0.0000000 0.5054164 0.1255606), wk = 0.0022727 k( 268) = ( 0.0000000 0.5059580 0.1381166), wk = 0.0022727 k( 269) = ( 0.0000000 0.5064996 0.1506727), wk = 0.0022727 k( 270) = ( 0.0000000 0.5070413 0.1632288), wk = 0.0022727 k( 271) = ( 0.0000000 0.5075829 0.1757848), wk = 0.0022727 k( 272) = ( 0.0000000 0.5081246 0.1883409), wk = 0.0022727 k( 273) = ( 0.0000000 0.5086662 0.2008969), wk = 0.0022727 k( 274) = ( 0.0000000 0.5092078 0.2134530), wk = 0.0022727 k( 275) = ( 0.0000000 0.5097495 0.2260090), wk = 0.0022727 k( 276) = ( 0.0000000 0.5102911 0.2385651), wk = 0.0022727 k( 277) = ( 0.0000000 0.5108327 0.2511212), wk = 0.0022727 k( 278) = ( 0.0000000 0.5113744 0.2636772), wk = 0.0022727 k( 279) = ( 0.0000000 0.5119160 0.2762333), wk = 0.0022727 k( 280) = ( 0.0000000 0.5124577 0.2887893), wk = 0.0022727 k( 281) = ( 0.0000000 0.5129993 0.3013454), wk = 0.0022727 k( 282) = ( 0.0000000 0.5135409 0.3139015), wk = 0.0022727 k( 283) = ( 0.0000000 0.5140826 0.3264575), wk = 0.0022727 k( 284) = ( 0.0000000 0.5146242 0.3390136), wk = 0.0022727 k( 285) = ( 0.0000000 0.5151658 0.3515696), wk = 0.0022727 k( 286) = ( 0.0000000 0.5157075 0.3641257), wk = 0.0022727 k( 287) = ( 0.0000000 0.5162491 0.3766817), wk = 0.0022727 k( 288) = ( 0.0000000 0.5167908 0.3892378), wk = 0.0022727 k( 289) = ( 0.0000000 0.5173324 0.4017939), wk = 0.0022727 k( 290) = ( 0.0000000 0.5178740 0.4143499), wk = 0.0022727 k( 291) = ( 0.0000000 0.5184157 0.4269060), wk = 0.0022727 k( 292) = ( 0.0000000 0.5189573 0.4394620), wk = 0.0022727 k( 293) = ( 0.0000000 0.5194990 0.4520181), wk = 0.0022727 k( 294) = ( 0.0000000 0.5200406 0.4645742), wk = 0.0022727 k( 295) = ( 0.0000000 0.5205822 0.4771302), wk = 0.0022727 k( 296) = ( 0.5000000 0.4794178 0.5228698), wk = 0.0022727 k( 297) = ( 0.5000000 0.4674323 0.5222980), wk = 0.0022727 k( 298) = ( 0.5000000 0.4554469 0.5217263), wk = 0.0022727 k( 299) = ( 0.5000000 0.4434614 0.5211545), wk = 0.0022727 k( 300) = ( 0.5000000 0.4314760 0.5205828), wk = 0.0022727 k( 301) = ( 0.5000000 0.4194905 0.5200111), wk = 0.0022727 k( 302) = ( 0.5000000 0.4075051 0.5194393), wk = 0.0022727 k( 303) = ( 0.5000000 0.3955197 0.5188676), wk = 0.0022727 k( 304) = ( 0.5000000 0.3835342 0.5182958), wk = 0.0022727 k( 305) = ( 0.5000000 0.3715488 0.5177241), wk = 0.0022727 k( 306) = ( 0.5000000 0.3595633 0.5171523), wk = 0.0022727 k( 307) = ( 0.5000000 0.3475779 0.5165806), wk = 0.0022727 k( 308) = ( 0.5000000 0.3355924 0.5160088), wk = 0.0022727 k( 309) = ( 0.5000000 0.3236070 0.5154371), wk = 0.0022727 k( 310) = ( 0.5000000 0.3116215 0.5148654), wk = 0.0022727 k( 311) = ( 0.5000000 0.2996361 0.5142936), wk = 0.0022727 k( 312) = ( 0.5000000 0.2876507 0.5137219), wk = 0.0022727 k( 313) = ( 0.5000000 0.2756652 0.5131501), wk = 0.0022727 k( 314) = ( 0.5000000 0.2636798 0.5125784), wk = 0.0022727 k( 315) = ( 0.5000000 0.2516943 0.5120066), wk = 0.0022727 k( 316) = ( 0.5000000 0.2397089 0.5114349), wk = 0.0022727 k( 317) = ( 0.5000000 0.2277234 0.5108631), wk = 0.0022727 k( 318) = ( 0.5000000 0.2157380 0.5102914), wk = 0.0022727 k( 319) = ( 0.5000000 0.2037525 0.5097197), wk = 0.0022727 k( 320) = ( 0.5000000 0.1917671 0.5091479), wk = 0.0022727 k( 321) = ( 0.5000000 0.1797817 0.5085762), wk = 0.0022727 k( 322) = ( 0.5000000 0.1677962 0.5080044), wk = 0.0022727 k( 323) = ( 0.5000000 0.1558108 0.5074327), wk = 0.0022727 k( 324) = ( 0.5000000 0.1438253 0.5068609), wk = 0.0022727 k( 325) = ( 0.5000000 0.1318399 0.5062892), wk = 0.0022727 k( 326) = ( 0.5000000 0.1198544 0.5057174), wk = 0.0022727 k( 327) = ( 0.5000000 0.1078690 0.5051457), wk = 0.0022727 k( 328) = ( 0.5000000 0.0958835 0.5045740), wk = 0.0022727 k( 329) = ( 0.5000000 0.0838981 0.5040022), wk = 0.0022727 k( 330) = ( 0.5000000 0.0719127 0.5034305), wk = 0.0022727 k( 331) = ( 0.5000000 0.0599272 0.5028587), wk = 0.0022727 k( 332) = ( 0.5000000 0.0479418 0.5022870), wk = 0.0022727 k( 333) = ( 0.5000000 0.0359563 0.5017152), wk = 0.0022727 k( 334) = ( 0.5000000 0.0239709 0.5011435), wk = 0.0022727 k( 335) = ( 0.5000000 0.0119854 0.5005717), wk = 0.0022727 k( 336) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 k( 338) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0022727 k( 339) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0022727 k( 340) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0022727 k( 341) = ( 0.5000000 0.0000000 0.4487179), wk = 0.0022727 k( 342) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0022727 k( 343) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0022727 k( 344) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0022727 k( 345) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0022727 k( 346) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0022727 k( 347) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0022727 k( 348) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0022727 k( 349) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0022727 k( 350) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022727 k( 351) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0022727 k( 352) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0022727 k( 353) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0022727 k( 354) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0022727 k( 355) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0022727 k( 356) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0022727 k( 357) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0022727 k( 358) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0022727 k( 359) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0022727 k( 360) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0022727 k( 361) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0022727 k( 362) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0022727 k( 363) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022727 k( 364) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0022727 k( 365) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0022727 k( 366) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0022727 k( 367) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0022727 k( 368) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0022727 k( 369) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0022727 k( 370) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0022727 k( 371) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0022727 k( 372) = ( 0.5000000 0.0000000 0.0512820), wk = 0.0022727 k( 373) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0022727 k( 374) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0022727 k( 375) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0022727 k( 376) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022727 k( 377) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 378) = ( 0.0079365 -0.0000000 0.5000000), wk = 0.0022727 k( 379) = ( 0.0158730 -0.0000000 0.5000000), wk = 0.0022727 k( 380) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0022727 k( 381) = ( 0.0317460 -0.0000000 0.5000000), wk = 0.0022727 k( 382) = ( 0.0396825 -0.0000000 0.5000000), wk = 0.0022727 k( 383) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0022727 k( 384) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0022727 k( 385) = ( 0.0634921 -0.0000000 0.5000000), wk = 0.0022727 k( 386) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0022727 k( 387) = ( 0.0793651 -0.0000000 0.5000000), wk = 0.0022727 k( 388) = ( 0.0873016 -0.0000000 0.5000000), wk = 0.0022727 k( 389) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0022727 k( 390) = ( 0.1031746 -0.0000000 0.5000000), wk = 0.0022727 k( 391) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0022727 k( 392) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0022727 k( 393) = ( 0.1269841 -0.0000000 0.5000000), wk = 0.0022727 k( 394) = ( 0.1349206 -0.0000000 0.5000000), wk = 0.0022727 k( 395) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0022727 k( 396) = ( 0.1507937 0.0000000 0.5000000), wk = 0.0022727 k( 397) = ( 0.1587302 -0.0000000 0.5000000), wk = 0.0022727 k( 398) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022727 k( 399) = ( 0.1746032 0.0000000 0.5000000), wk = 0.0022727 k( 400) = ( 0.1825397 -0.0000000 0.5000000), wk = 0.0022727 k( 401) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0022727 k( 402) = ( 0.1984127 0.0000000 0.5000000), wk = 0.0022727 k( 403) = ( 0.2063492 -0.0000000 0.5000000), wk = 0.0022727 k( 404) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0022727 k( 405) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0022727 k( 406) = ( 0.2301587 -0.0000000 0.5000000), wk = 0.0022727 k( 407) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0022727 k( 408) = ( 0.2460317 -0.0000000 0.5000000), wk = 0.0022727 k( 409) = ( 0.2539683 -0.0000000 0.5000000), wk = 0.0022727 k( 410) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0022727 k( 411) = ( 0.2698413 -0.0000000 0.5000000), wk = 0.0022727 k( 412) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0022727 k( 413) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0022727 k( 414) = ( 0.2936508 0.0000000 0.5000000), wk = 0.0022727 k( 415) = ( 0.3015873 0.0000000 0.5000000), wk = 0.0022727 k( 416) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0022727 k( 417) = ( 0.3174603 -0.0000000 0.5000000), wk = 0.0022727 k( 418) = ( 0.3253968 -0.0000000 0.5000000), wk = 0.0022727 k( 419) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022727 k( 420) = ( 0.3412698 -0.0000000 0.5000000), wk = 0.0022727 k( 421) = ( 0.3492063 -0.0000000 0.5000000), wk = 0.0022727 k( 422) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0022727 k( 423) = ( 0.3650794 -0.0000000 0.5000000), wk = 0.0022727 k( 424) = ( 0.3730159 -0.0000000 0.5000000), wk = 0.0022727 k( 425) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0022727 k( 426) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0022727 k( 427) = ( 0.3968254 0.0000000 0.5000000), wk = 0.0022727 k( 428) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0022727 k( 429) = ( 0.4126984 -0.0000000 0.5000000), wk = 0.0022727 k( 430) = ( 0.4206349 -0.0000000 0.5000000), wk = 0.0022727 k( 431) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0022727 k( 432) = ( 0.4365079 0.0000000 0.5000000), wk = 0.0022727 k( 433) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0022727 k( 434) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0022727 k( 435) = ( 0.4603175 -0.0000000 0.5000000), wk = 0.0022727 k( 436) = ( 0.4682540 -0.0000000 0.5000000), wk = 0.0022727 k( 437) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0022727 k( 438) = ( 0.4841270 0.0000000 0.5000000), wk = 0.0022727 k( 439) = ( 0.4920635 0.0000000 0.5000000), wk = 0.0022727 k( 440) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022727 Dense grid: 25775 G-vectors FFT dimensions: ( 27, 45, 45) Smooth grid: 11405 G-vectors FFT dimensions: ( 24, 32, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 100, 40) NL pseudopotentials 0.09 Mb ( 50, 124) Each V/rho on FFT grid 0.04 Mb ( 2430) Each G-vector array 0.01 Mb ( 720) G-vector shells 0.01 Mb ( 689) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 100, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 124, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./AlPO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 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 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.4 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 5.9 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.5 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.1 secs Computing kpt #: 23 total cpu time spent up to now is 7.3 secs Computing kpt #: 24 total cpu time spent up to now is 7.5 secs Computing kpt #: 25 total cpu time spent up to now is 7.8 secs Computing kpt #: 26 total cpu time spent up to now is 8.0 secs Computing kpt #: 27 total cpu time spent up to now is 8.2 secs Computing kpt #: 28 total cpu time spent up to now is 8.4 secs Computing kpt #: 29 total cpu time spent up to now is 8.6 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.1 secs Computing kpt #: 32 total cpu time spent up to now is 9.3 secs Computing kpt #: 33 total cpu time spent up to now is 9.6 secs Computing kpt #: 34 total cpu time spent up to now is 9.8 secs Computing kpt #: 35 total cpu time spent up to now is 10.0 secs Computing kpt #: 36 total cpu time spent up to now is 10.3 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.8 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.7 secs Computing kpt #: 43 total cpu time spent up to now is 11.9 secs Computing kpt #: 44 total cpu time spent up to now is 12.2 secs Computing kpt #: 45 total cpu time spent up to now is 12.4 secs Computing kpt #: 46 total cpu time spent up to now is 12.7 secs Computing kpt #: 47 total cpu time spent up to now is 12.9 secs Computing kpt #: 48 total cpu time spent up to now is 13.1 secs Computing kpt #: 49 total cpu time spent up to now is 13.4 secs Computing kpt #: 50 total cpu time spent up to now is 13.6 secs Computing kpt #: 51 total cpu time spent up to now is 13.9 secs Computing kpt #: 52 total cpu time spent up to now is 14.1 secs Computing kpt #: 53 total cpu time spent up to now is 14.3 secs Computing kpt #: 54 total cpu time spent up to now is 14.6 secs Computing kpt #: 55 total cpu time spent up to now is 14.8 secs Computing kpt #: 56 total cpu time spent up to now is 15.0 secs Computing kpt #: 57 total cpu time spent up to now is 15.3 secs Computing kpt #: 58 total cpu time spent up to now is 15.5 secs Computing kpt #: 59 total cpu time spent up to now is 15.8 secs Computing kpt #: 60 total cpu time spent up to now is 16.0 secs Computing kpt #: 61 total cpu time spent up to now is 16.3 secs Computing kpt #: 62 total cpu time spent up to now is 16.5 secs Computing kpt #: 63 total cpu time spent up to now is 16.7 secs Computing kpt #: 64 total cpu time spent up to now is 17.0 secs Computing kpt #: 65 total cpu time spent up to now is 17.2 secs Computing kpt #: 66 total cpu time spent up to now is 17.5 secs Computing kpt #: 67 total cpu time spent up to now is 17.7 secs Computing kpt #: 68 total cpu time spent up to now is 17.9 secs Computing kpt #: 69 total cpu time spent up to now is 18.2 secs Computing kpt #: 70 total cpu time spent up to now is 18.4 secs Computing kpt #: 71 total cpu time spent up to now is 18.6 secs Computing kpt #: 72 total cpu time spent up to now is 18.9 secs Computing kpt #: 73 total cpu time spent up to now is 19.1 secs Computing kpt #: 74 total cpu time spent up to now is 19.3 secs Computing kpt #: 75 total cpu time spent up to now is 19.6 secs Computing kpt #: 76 total cpu time spent up to now is 19.8 secs Computing kpt #: 77 total cpu time spent up to now is 20.0 secs Computing kpt #: 78 total cpu time spent up to now is 20.3 secs Computing kpt #: 79 total cpu time spent up to now is 20.5 secs Computing kpt #: 80 total cpu time spent up to now is 20.7 secs Computing kpt #: 81 total cpu time spent up to now is 21.0 secs Computing kpt #: 82 total cpu time spent up to now is 21.2 secs Computing kpt #: 83 total cpu time spent up to now is 21.4 secs Computing kpt #: 84 total cpu time spent up to now is 21.7 secs Computing kpt #: 85 total cpu time spent up to now is 21.9 secs Computing kpt #: 86 total cpu time spent up to now is 22.1 secs Computing kpt #: 87 total cpu time spent up to now is 22.3 secs Computing kpt #: 88 total cpu time spent up to now is 22.6 secs Computing kpt #: 89 total cpu time spent up to now is 22.8 secs Computing kpt #: 90 total cpu time spent up to now is 23.1 secs Computing kpt #: 91 total cpu time spent up to now is 23.3 secs Computing kpt #: 92 total cpu time spent up to now is 23.5 secs Computing kpt #: 93 total cpu time spent up to now is 24.1 secs Computing kpt #: 94 total cpu time spent up to now is 24.4 secs Computing kpt #: 95 total cpu time spent up to now is 24.6 secs Computing kpt #: 96 total cpu time spent up to now is 24.9 secs Computing kpt #: 97 total cpu time spent up to now is 25.1 secs Computing kpt #: 98 total cpu time spent up to now is 25.4 secs Computing kpt #: 99 total cpu time spent up to now is 25.6 secs Computing kpt #: 100 total cpu time spent up to now is 25.8 secs Computing kpt #: 101 total cpu time spent up to now is 26.0 secs Computing kpt #: 102 total cpu time spent up to now is 26.2 secs Computing kpt #: 103 total cpu time spent up to now is 26.4 secs Computing kpt #: 104 total cpu time spent up to now is 26.6 secs Computing kpt #: 105 total cpu time spent up to now is 26.9 secs Computing kpt #: 106 total cpu time spent up to now is 27.1 secs Computing kpt #: 107 total cpu time spent up to now is 27.3 secs Computing kpt #: 108 total cpu time spent up to now is 27.6 secs Computing kpt #: 109 total cpu time spent up to now is 27.8 secs Computing kpt #: 110 total cpu time spent up to now is 28.1 secs Computing kpt #: 111 total cpu time spent up to now is 28.3 secs Computing kpt #: 112 total cpu time spent up to now is 28.5 secs Computing kpt #: 113 total cpu time spent up to now is 28.8 secs Computing kpt #: 114 total cpu time spent up to now is 29.0 secs Computing kpt #: 115 total cpu time spent up to now is 29.3 secs Computing kpt #: 116 total cpu time spent up to now is 29.5 secs Computing kpt #: 117 total cpu time spent up to now is 29.8 secs Computing kpt #: 118 total cpu time spent up to now is 30.0 secs Computing kpt #: 119 total cpu time spent up to now is 30.3 secs Computing kpt #: 120 total cpu time spent up to now is 30.5 secs Computing kpt #: 121 total cpu time spent up to now is 30.8 secs Computing kpt #: 122 total cpu time spent up to now is 31.0 secs Computing kpt #: 123 total cpu time spent up to now is 31.3 secs Computing kpt #: 124 total cpu time spent up to now is 31.5 secs Computing kpt #: 125 total cpu time spent up to now is 31.8 secs Computing kpt #: 126 total cpu time spent up to now is 32.0 secs Computing kpt #: 127 total cpu time spent up to now is 32.3 secs Computing kpt #: 128 total cpu time spent up to now is 32.5 secs Computing kpt #: 129 total cpu time spent up to now is 32.7 secs Computing kpt #: 130 total cpu time spent up to now is 33.0 secs Computing kpt #: 131 total cpu time spent up to now is 33.2 secs Computing kpt #: 132 total cpu time spent up to now is 33.4 secs Computing kpt #: 133 total cpu time spent up to now is 33.6 secs Computing kpt #: 134 total cpu time spent up to now is 33.8 secs Computing kpt #: 135 total cpu time spent up to now is 34.1 secs Computing kpt #: 136 total cpu time spent up to now is 34.3 secs Computing kpt #: 137 total cpu time spent up to now is 34.5 secs Computing kpt #: 138 total cpu time spent up to now is 34.8 secs Computing kpt #: 139 total cpu time spent up to now is 35.0 secs Computing kpt #: 140 total cpu time spent up to now is 35.2 secs Computing kpt #: 141 total cpu time spent up to now is 35.5 secs Computing kpt #: 142 total cpu time spent up to now is 35.7 secs Computing kpt #: 143 total cpu time spent up to now is 36.0 secs Computing kpt #: 144 total cpu time spent up to now is 36.2 secs Computing kpt #: 145 total cpu time spent up to now is 36.4 secs Computing kpt #: 146 total cpu time spent up to now is 36.7 secs Computing kpt #: 147 total cpu time spent up to now is 36.9 secs Computing kpt #: 148 total cpu time spent up to now is 37.2 secs Computing kpt #: 149 total cpu time spent up to now is 37.4 secs Computing kpt #: 150 total cpu time spent up to now is 37.7 secs Computing kpt #: 151 total cpu time spent up to now is 38.0 secs Computing kpt #: 152 total cpu time spent up to now is 38.2 secs Computing kpt #: 153 total cpu time spent up to now is 38.5 secs Computing kpt #: 154 total cpu time spent up to now is 38.7 secs Computing kpt #: 155 total cpu time spent up to now is 39.0 secs Computing kpt #: 156 total cpu time spent up to now is 39.2 secs Computing kpt #: 157 total cpu time spent up to now is 39.4 secs Computing kpt #: 158 total cpu time spent up to now is 39.7 secs Computing kpt #: 159 total cpu time spent up to now is 39.9 secs Computing kpt #: 160 total cpu time spent up to now is 40.2 secs Computing kpt #: 161 total cpu time spent up to now is 40.4 secs Computing kpt #: 162 total cpu time spent up to now is 40.7 secs Computing kpt #: 163 total cpu time spent up to now is 40.9 secs Computing kpt #: 164 total cpu time spent up to now is 41.1 secs Computing kpt #: 165 total cpu time spent up to now is 41.4 secs Computing kpt #: 166 total cpu time spent up to now is 41.6 secs Computing kpt #: 167 total cpu time spent up to now is 41.9 secs Computing kpt #: 168 total cpu time spent up to now is 42.1 secs Computing kpt #: 169 total cpu time spent up to now is 42.3 secs Computing kpt #: 170 total cpu time spent up to now is 42.6 secs Computing kpt #: 171 total cpu time spent up to now is 42.8 secs Computing kpt #: 172 total cpu time spent up to now is 43.1 secs Computing kpt #: 173 total cpu time spent up to now is 43.3 secs Computing kpt #: 174 total cpu time spent up to now is 43.5 secs Computing kpt #: 175 total cpu time spent up to now is 43.8 secs Computing kpt #: 176 total cpu time spent up to now is 44.0 secs Computing kpt #: 177 total cpu time spent up to now is 44.2 secs Computing kpt #: 178 total cpu time spent up to now is 44.5 secs Computing kpt #: 179 total cpu time spent up to now is 44.7 secs Computing kpt #: 180 total cpu time spent up to now is 44.9 secs Computing kpt #: 181 total cpu time spent up to now is 45.2 secs Computing kpt #: 182 total cpu time spent up to now is 45.4 secs Computing kpt #: 183 total cpu time spent up to now is 45.7 secs Computing kpt #: 184 total cpu time spent up to now is 45.9 secs Computing kpt #: 185 total cpu time spent up to now is 46.2 secs Computing kpt #: 186 total cpu time spent up to now is 46.4 secs Computing kpt #: 187 total cpu time spent up to now is 46.6 secs Computing kpt #: 188 total cpu time spent up to now is 46.9 secs Computing kpt #: 189 total cpu time spent up to now is 47.1 secs Computing kpt #: 190 total cpu time spent up to now is 47.3 secs Computing kpt #: 191 total cpu time spent up to now is 47.6 secs Computing kpt #: 192 total cpu time spent up to now is 47.8 secs Computing kpt #: 193 total cpu time spent up to now is 48.1 secs Computing kpt #: 194 total cpu time spent up to now is 48.3 secs Computing kpt #: 195 total cpu time spent up to now is 48.6 secs Computing kpt #: 196 total cpu time spent up to now is 48.8 secs Computing kpt #: 197 total cpu time spent up to now is 49.0 secs Computing kpt #: 198 total cpu time spent up to now is 49.3 secs Computing kpt #: 199 total cpu time spent up to now is 49.5 secs Computing kpt #: 200 total cpu time spent up to now is 49.8 secs Computing kpt #: 201 total cpu time spent up to now is 50.0 secs Computing kpt #: 202 total cpu time spent up to now is 50.2 secs Computing kpt #: 203 total cpu time spent up to now is 50.5 secs Computing kpt #: 204 total cpu time spent up to now is 50.7 secs Computing kpt #: 205 total cpu time spent up to now is 51.0 secs Computing kpt #: 206 total cpu time spent up to now is 51.2 secs Computing kpt #: 207 total cpu time spent up to now is 51.4 secs Computing kpt #: 208 total cpu time spent up to now is 51.7 secs Computing kpt #: 209 total cpu time spent up to now is 51.9 secs Computing kpt #: 210 total cpu time spent up to now is 52.2 secs Computing kpt #: 211 total cpu time spent up to now is 52.4 secs Computing kpt #: 212 total cpu time spent up to now is 52.7 secs Computing kpt #: 213 total cpu time spent up to now is 52.9 secs Computing kpt #: 214 total cpu time spent up to now is 53.1 secs Computing kpt #: 215 total cpu time spent up to now is 53.4 secs Computing kpt #: 216 total cpu time spent up to now is 53.6 secs Computing kpt #: 217 total cpu time spent up to now is 53.9 secs Computing kpt #: 218 total cpu time spent up to now is 54.3 secs Computing kpt #: 219 total cpu time spent up to now is 54.5 secs Computing kpt #: 220 total cpu time spent up to now is 54.7 secs Computing kpt #: 221 total cpu time spent up to now is 54.9 secs Computing kpt #: 222 total cpu time spent up to now is 55.1 secs Computing kpt #: 223 total cpu time spent up to now is 55.3 secs Computing kpt #: 224 total cpu time spent up to now is 55.5 secs Computing kpt #: 225 total cpu time spent up to now is 55.7 secs Computing kpt #: 226 total cpu time spent up to now is 55.9 secs Computing kpt #: 227 total cpu time spent up to now is 56.1 secs Computing kpt #: 228 total cpu time spent up to now is 56.2 secs Computing kpt #: 229 total cpu time spent up to now is 56.4 secs Computing kpt #: 230 total cpu time spent up to now is 56.6 secs Computing kpt #: 231 total cpu time spent up to now is 56.8 secs Computing kpt #: 232 total cpu time spent up to now is 57.0 secs Computing kpt #: 233 total cpu time spent up to now is 57.2 secs Computing kpt #: 234 total cpu time spent up to now is 57.4 secs Computing kpt #: 235 total cpu time spent up to now is 57.6 secs Computing kpt #: 236 total cpu time spent up to now is 57.8 secs Computing kpt #: 237 total cpu time spent up to now is 58.1 secs Computing kpt #: 238 total cpu time spent up to now is 58.3 secs Computing kpt #: 239 total cpu time spent up to now is 58.6 secs Computing kpt #: 240 total cpu time spent up to now is 58.8 secs Computing kpt #: 241 total cpu time spent up to now is 59.1 secs Computing kpt #: 242 total cpu time spent up to now is 59.3 secs Computing kpt #: 243 total cpu time spent up to now is 59.6 secs Computing kpt #: 244 total cpu time spent up to now is 59.8 secs Computing kpt #: 245 total cpu time spent up to now is 60.1 secs Computing kpt #: 246 total cpu time spent up to now is 60.4 secs Computing kpt #: 247 total cpu time spent up to now is 60.7 secs Computing kpt #: 248 total cpu time spent up to now is 60.9 secs Computing kpt #: 249 total cpu time spent up to now is 61.2 secs Computing kpt #: 250 total cpu time spent up to now is 61.4 secs Computing kpt #: 251 total cpu time spent up to now is 61.6 secs Computing kpt #: 252 total cpu time spent up to now is 61.9 secs Computing kpt #: 253 total cpu time spent up to now is 62.1 secs Computing kpt #: 254 total cpu time spent up to now is 62.3 secs Computing kpt #: 255 total cpu time spent up to now is 62.6 secs Computing kpt #: 256 total cpu time spent up to now is 62.8 secs Computing kpt #: 257 total cpu time spent up to now is 63.0 secs Computing kpt #: 258 total cpu time spent up to now is 63.2 secs Computing kpt #: 259 total cpu time spent up to now is 63.4 secs Computing kpt #: 260 total cpu time spent up to now is 63.6 secs Computing kpt #: 261 total cpu time spent up to now is 63.9 secs Computing kpt #: 262 total cpu time spent up to now is 64.1 secs Computing kpt #: 263 total cpu time spent up to now is 64.3 secs Computing kpt #: 264 total cpu time spent up to now is 64.6 secs Computing kpt #: 265 total cpu time spent up to now is 64.8 secs Computing kpt #: 266 total cpu time spent up to now is 65.1 secs Computing kpt #: 267 total cpu time spent up to now is 65.3 secs Computing kpt #: 268 total cpu time spent up to now is 65.5 secs Computing kpt #: 269 total cpu time spent up to now is 65.8 secs Computing kpt #: 270 total cpu time spent up to now is 66.0 secs Computing kpt #: 271 total cpu time spent up to now is 66.3 secs Computing kpt #: 272 total cpu time spent up to now is 66.5 secs Computing kpt #: 273 total cpu time spent up to now is 66.8 secs Computing kpt #: 274 total cpu time spent up to now is 67.0 secs Computing kpt #: 275 total cpu time spent up to now is 67.2 secs Computing kpt #: 276 total cpu time spent up to now is 67.5 secs Computing kpt #: 277 total cpu time spent up to now is 67.8 secs Computing kpt #: 278 total cpu time spent up to now is 68.0 secs Computing kpt #: 279 total cpu time spent up to now is 68.3 secs Computing kpt #: 280 total cpu time spent up to now is 68.6 secs Computing kpt #: 281 total cpu time spent up to now is 68.8 secs Computing kpt #: 282 total cpu time spent up to now is 69.0 secs Computing kpt #: 283 total cpu time spent up to now is 69.3 secs Computing kpt #: 284 total cpu time spent up to now is 69.5 secs Computing kpt #: 285 total cpu time spent up to now is 69.8 secs Computing kpt #: 286 total cpu time spent up to now is 70.0 secs Computing kpt #: 287 total cpu time spent up to now is 70.2 secs Computing kpt #: 288 total cpu time spent up to now is 70.5 secs Computing kpt #: 289 total cpu time spent up to now is 70.7 secs Computing kpt #: 290 total cpu time spent up to now is 70.9 secs Computing kpt #: 291 total cpu time spent up to now is 71.2 secs Computing kpt #: 292 total cpu time spent up to now is 71.4 secs Computing kpt #: 293 total cpu time spent up to now is 71.6 secs Computing kpt #: 294 total cpu time spent up to now is 71.9 secs Computing kpt #: 295 total cpu time spent up to now is 72.1 secs Computing kpt #: 296 total cpu time spent up to now is 72.3 secs Computing kpt #: 297 total cpu time spent up to now is 72.6 secs Computing kpt #: 298 total cpu time spent up to now is 72.8 secs Computing kpt #: 299 total cpu time spent up to now is 73.1 secs Computing kpt #: 300 total cpu time spent up to now is 73.3 secs Computing kpt #: 301 total cpu time spent up to now is 73.5 secs Computing kpt #: 302 total cpu time spent up to now is 73.8 secs Computing kpt #: 303 total cpu time spent up to now is 74.0 secs Computing kpt #: 304 total cpu time spent up to now is 74.3 secs Computing kpt #: 305 total cpu time spent up to now is 74.5 secs Computing kpt #: 306 total cpu time spent up to now is 74.7 secs Computing kpt #: 307 total cpu time spent up to now is 75.0 secs Computing kpt #: 308 total cpu time spent up to now is 75.2 secs Computing kpt #: 309 total cpu time spent up to now is 75.4 secs Computing kpt #: 310 total cpu time spent up to now is 75.6 secs Computing kpt #: 311 total cpu time spent up to now is 75.9 secs Computing kpt #: 312 total cpu time spent up to now is 76.1 secs Computing kpt #: 313 total cpu time spent up to now is 76.3 secs Computing kpt #: 314 total cpu time spent up to now is 76.5 secs Computing kpt #: 315 total cpu time spent up to now is 76.8 secs Computing kpt #: 316 total cpu time spent up to now is 77.0 secs Computing kpt #: 317 total cpu time spent up to now is 77.2 secs Computing kpt #: 318 total cpu time spent up to now is 77.4 secs Computing kpt #: 319 total cpu time spent up to now is 77.6 secs Computing kpt #: 320 total cpu time spent up to now is 77.9 secs Computing kpt #: 321 total cpu time spent up to now is 78.1 secs Computing kpt #: 322 total cpu time spent up to now is 78.3 secs Computing kpt #: 323 total cpu time spent up to now is 78.5 secs Computing kpt #: 324 total cpu time spent up to now is 78.7 secs Computing kpt #: 325 total cpu time spent up to now is 79.0 secs Computing kpt #: 326 total cpu time spent up to now is 79.2 secs Computing kpt #: 327 total cpu time spent up to now is 79.4 secs Computing kpt #: 328 total cpu time spent up to now is 79.6 secs Computing kpt #: 329 total cpu time spent up to now is 79.8 secs Computing kpt #: 330 total cpu time spent up to now is 80.0 secs Computing kpt #: 331 total cpu time spent up to now is 80.3 secs Computing kpt #: 332 total cpu time spent up to now is 80.5 secs Computing kpt #: 333 total cpu time spent up to now is 80.7 secs Computing kpt #: 334 total cpu time spent up to now is 80.9 secs Computing kpt #: 335 total cpu time spent up to now is 81.1 secs Computing kpt #: 336 total cpu time spent up to now is 81.3 secs Computing kpt #: 337 total cpu time spent up to now is 81.5 secs Computing kpt #: 338 total cpu time spent up to now is 81.8 secs Computing kpt #: 339 total cpu time spent up to now is 82.0 secs Computing kpt #: 340 total cpu time spent up to now is 82.2 secs Computing kpt #: 341 total cpu time spent up to now is 82.4 secs Computing kpt #: 342 total cpu time spent up to now is 82.6 secs Computing kpt #: 343 total cpu time spent up to now is 82.9 secs Computing kpt #: 344 total cpu time spent up to now is 83.1 secs Computing kpt #: 345 total cpu time spent up to now is 83.3 secs Computing kpt #: 346 total cpu time spent up to now is 83.5 secs Computing kpt #: 347 total cpu time spent up to now is 83.7 secs Computing kpt #: 348 total cpu time spent up to now is 83.9 secs Computing kpt #: 349 total cpu time spent up to now is 84.2 secs Computing kpt #: 350 total cpu time spent up to now is 84.4 secs Computing kpt #: 351 total cpu time spent up to now is 84.6 secs Computing kpt #: 352 total cpu time spent up to now is 84.8 secs Computing kpt #: 353 total cpu time spent up to now is 85.0 secs Computing kpt #: 354 total cpu time spent up to now is 85.3 secs Computing kpt #: 355 total cpu time spent up to now is 85.5 secs Computing kpt #: 356 total cpu time spent up to now is 85.7 secs Computing kpt #: 357 total cpu time spent up to now is 85.9 secs Computing kpt #: 358 total cpu time spent up to now is 86.2 secs Computing kpt #: 359 total cpu time spent up to now is 86.4 secs Computing kpt #: 360 total cpu time spent up to now is 86.7 secs Computing kpt #: 361 total cpu time spent up to now is 86.9 secs Computing kpt #: 362 total cpu time spent up to now is 87.1 secs Computing kpt #: 363 total cpu time spent up to now is 87.4 secs Computing kpt #: 364 total cpu time spent up to now is 87.6 secs Computing kpt #: 365 total cpu time spent up to now is 87.9 secs Computing kpt #: 366 total cpu time spent up to now is 88.1 secs Computing kpt #: 367 total cpu time spent up to now is 88.3 secs Computing kpt #: 368 total cpu time spent up to now is 88.6 secs Computing kpt #: 369 total cpu time spent up to now is 88.8 secs Computing kpt #: 370 total cpu time spent up to now is 89.1 secs Computing kpt #: 371 total cpu time spent up to now is 89.4 secs Computing kpt #: 372 total cpu time spent up to now is 89.6 secs Computing kpt #: 373 total cpu time spent up to now is 89.9 secs Computing kpt #: 374 total cpu time spent up to now is 90.1 secs Computing kpt #: 375 total cpu time spent up to now is 90.4 secs Computing kpt #: 376 total cpu time spent up to now is 90.7 secs Computing kpt #: 377 total cpu time spent up to now is 90.9 secs Computing kpt #: 378 total cpu time spent up to now is 91.2 secs Computing kpt #: 379 total cpu time spent up to now is 91.4 secs Computing kpt #: 380 total cpu time spent up to now is 91.6 secs Computing kpt #: 381 total cpu time spent up to now is 91.9 secs Computing kpt #: 382 total cpu time spent up to now is 92.1 secs Computing kpt #: 383 total cpu time spent up to now is 92.4 secs Computing kpt #: 384 total cpu time spent up to now is 92.6 secs Computing kpt #: 385 total cpu time spent up to now is 92.9 secs Computing kpt #: 386 total cpu time spent up to now is 93.1 secs Computing kpt #: 387 total cpu time spent up to now is 93.3 secs Computing kpt #: 388 total cpu time spent up to now is 93.6 secs Computing kpt #: 389 total cpu time spent up to now is 93.8 secs Computing kpt #: 390 total cpu time spent up to now is 94.1 secs Computing kpt #: 391 total cpu time spent up to now is 94.3 secs Computing kpt #: 392 total cpu time spent up to now is 94.5 secs Computing kpt #: 393 total cpu time spent up to now is 94.7 secs Computing kpt #: 394 total cpu time spent up to now is 94.9 secs Computing kpt #: 395 total cpu time spent up to now is 95.1 secs Computing kpt #: 396 total cpu time spent up to now is 95.4 secs Computing kpt #: 397 total cpu time spent up to now is 95.6 secs Computing kpt #: 398 total cpu time spent up to now is 95.8 secs Computing kpt #: 399 total cpu time spent up to now is 96.0 secs Computing kpt #: 400 total cpu time spent up to now is 96.2 secs Computing kpt #: 401 total cpu time spent up to now is 96.4 secs Computing kpt #: 402 total cpu time spent up to now is 96.6 secs Computing kpt #: 403 total cpu time spent up to now is 96.8 secs Computing kpt #: 404 total cpu time spent up to now is 97.0 secs Computing kpt #: 405 total cpu time spent up to now is 97.2 secs Computing kpt #: 406 total cpu time spent up to now is 97.4 secs Computing kpt #: 407 total cpu time spent up to now is 97.6 secs Computing kpt #: 408 total cpu time spent up to now is 97.8 secs Computing kpt #: 409 total cpu time spent up to now is 98.0 secs Computing kpt #: 410 total cpu time spent up to now is 98.2 secs Computing kpt #: 411 total cpu time spent up to now is 98.4 secs Computing kpt #: 412 total cpu time spent up to now is 98.6 secs Computing kpt #: 413 total cpu time spent up to now is 98.9 secs Computing kpt #: 414 total cpu time spent up to now is 99.1 secs Computing kpt #: 415 total cpu time spent up to now is 99.6 secs Computing kpt #: 416 total cpu time spent up to now is 99.9 secs Computing kpt #: 417 total cpu time spent up to now is 100.1 secs Computing kpt #: 418 total cpu time spent up to now is 100.4 secs Computing kpt #: 419 total cpu time spent up to now is 100.6 secs Computing kpt #: 420 total cpu time spent up to now is 100.9 secs Computing kpt #: 421 total cpu time spent up to now is 101.1 secs Computing kpt #: 422 total cpu time spent up to now is 101.3 secs Computing kpt #: 423 total cpu time spent up to now is 101.6 secs Computing kpt #: 424 total cpu time spent up to now is 101.8 secs Computing kpt #: 425 total cpu time spent up to now is 102.0 secs Computing kpt #: 426 total cpu time spent up to now is 102.3 secs Computing kpt #: 427 total cpu time spent up to now is 102.5 secs Computing kpt #: 428 total cpu time spent up to now is 102.7 secs Computing kpt #: 429 total cpu time spent up to now is 103.0 secs Computing kpt #: 430 total cpu time spent up to now is 103.2 secs Computing kpt #: 431 total cpu time spent up to now is 103.4 secs Computing kpt #: 432 total cpu time spent up to now is 103.6 secs Computing kpt #: 433 total cpu time spent up to now is 103.9 secs Computing kpt #: 434 total cpu time spent up to now is 104.1 secs Computing kpt #: 435 total cpu time spent up to now is 104.3 secs Computing kpt #: 436 total cpu time spent up to now is 104.6 secs Computing kpt #: 437 total cpu time spent up to now is 104.8 secs Computing kpt #: 438 total cpu time spent up to now is 105.0 secs Computing kpt #: 439 total cpu time spent up to now is 105.2 secs Computing kpt #: 440 total cpu time spent up to now is 105.4 secs ethr = 3.13E-08, avg # of iterations = 21.3 total cpu time spent up to now is 105.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1423 PWs) bands (ev): -12.6867 -12.6867 -7.5517 -7.5517 -5.6867 -5.6867 -5.6524 -5.6524 1.6910 1.6910 4.7912 4.7912 5.2334 5.2334 5.5913 5.5913 7.4448 7.4448 7.4671 7.4671 7.8632 7.8632 11.5323 11.5323 11.9686 11.9686 12.1723 12.1723 13.1273 13.1273 13.2597 13.2597 17.8828 17.8828 20.6509 20.6509 24.4159 24.4159 26.0077 26.0077 k = 0.0000 0.0000 0.0080 ( 1421 PWs) bands (ev): -12.6862 -12.6862 -7.5533 -7.5533 -5.7161 -5.7161 -5.6225 -5.6225 1.6915 1.6915 4.7916 4.7916 5.2336 5.2336 5.5933 5.5933 7.3788 7.3788 7.5341 7.5341 7.8630 7.8630 11.5319 11.5319 11.9686 11.9686 12.1695 12.1695 13.1224 13.1224 13.2610 13.2610 17.8851 17.8851 20.6524 20.6524 24.4178 24.4178 25.9970 25.9970 k = 0.0000 0.0000 0.0159 ( 1426 PWs) bands (ev): -12.6846 -12.6846 -7.5580 -7.5580 -5.7569 -5.7569 -5.5799 -5.5799 1.6932 1.6932 4.7929 4.7929 5.2344 5.2344 5.5994 5.5994 7.3045 7.3045 7.6118 7.6118 7.8625 7.8625 11.5306 11.5306 11.9687 11.9687 12.1610 12.1610 13.1081 13.1081 13.2642 13.2642 17.8918 17.8918 20.6570 20.6570 24.4237 24.4237 25.9693 25.9693 k = 0.0000 0.0000 0.0239 ( 1424 PWs) bands (ev): -12.6821 -12.6821 -7.5658 -7.5658 -5.7976 -5.7976 -5.5363 -5.5363 1.6959 1.6959 4.7948 4.7948 5.2356 5.2356 5.6095 5.6095 7.2320 7.2320 7.6902 7.6902 7.8616 7.8616 11.5284 11.5284 11.9688 11.9688 12.1469 12.1469 13.0864 13.0864 13.2677 13.2677 17.9030 17.9030 20.6647 20.6647 24.4333 24.4333 25.9322 25.9322 k = 0.0000 0.0000 0.0319 ( 1422 PWs) bands (ev): -12.6784 -12.6784 -7.5767 -7.5767 -5.8371 -5.8371 -5.4926 -5.4926 1.6999 1.6999 4.7972 4.7972 5.2373 5.2373 5.6235 5.6235 7.1619 7.1619 7.7685 7.7685 7.8605 7.8605 11.5255 11.5255 11.9688 11.9688 12.1271 12.1271 13.0588 13.0588 13.2702 13.2702 17.9186 17.9186 20.6753 20.6753 24.4467 24.4467 25.8912 25.8912 k = 0.0000 0.0000 0.0398 ( 1423 PWs) bands (ev): -12.6738 -12.6738 -7.5908 -7.5908 -5.8752 -5.8752 -5.4492 -5.4492 1.7050 1.7050 4.7996 4.7996 5.2396 5.2396 5.6414 5.6414 7.0950 7.0950 7.8452 7.8452 7.8603 7.8603 11.5219 11.5219 11.9688 11.9688 12.1016 12.1016 13.0263 13.0263 13.2709 13.2709 17.9385 17.9385 20.6888 20.6888 24.4636 24.4636 25.8494 25.8494 k = 0.0000 0.0000 0.0478 ( 1419 PWs) bands (ev): -12.6682 -12.6682 -7.6079 -7.6079 -5.9114 -5.9114 -5.4064 -5.4064 1.7114 1.7114 4.8017 4.8017 5.2423 5.2423 5.6632 5.6632 7.0319 7.0319 7.8563 7.8563 7.9250 7.9250 11.5175 11.5175 11.9685 11.9685 12.0703 12.0703 12.9899 12.9899 13.2694 13.2694 17.9626 17.9626 20.7052 20.7052 24.4838 24.4838 25.8083 25.8083 k = 0.0000 0.0000 0.0558 ( 1419 PWs) bands (ev): -12.6616 -12.6616 -7.6280 -7.6280 -5.9456 -5.9456 -5.3645 -5.3645 1.7192 1.7192 4.8028 4.8028 5.2454 5.2454 5.6888 5.6888 6.9733 6.9733 7.8542 7.8542 8.0017 8.0017 11.5126 11.5126 11.9677 11.9677 12.0335 12.0335 12.9501 12.9501 13.2656 13.2656 17.9907 17.9907 20.7241 20.7241 24.5070 24.5070 25.7688 25.7688 k = 0.0000 0.0000 0.0637 ( 1417 PWs) bands (ev): -12.6541 -12.6541 -7.6511 -7.6511 -5.9776 -5.9776 -5.3237 -5.3237 1.7284 1.7284 4.8023 4.8023 5.2490 5.2490 5.7181 5.7181 6.9200 6.9200 7.8516 7.8516 8.0773 8.0773 11.5071 11.5071 11.9635 11.9635 11.9939 11.9939 12.9074 12.9074 13.2593 13.2593 18.0226 18.0226 20.7456 20.7456 24.5329 24.5329 25.7317 25.7317 k = 0.0000 0.0000 0.0717 ( 1417 PWs) bands (ev): -12.6456 -12.6456 -7.6770 -7.6770 -6.0072 -6.0072 -5.2840 -5.2840 1.7392 1.7392 4.7996 4.7996 5.2530 5.2530 5.7511 5.7511 6.8727 6.8727 7.8487 7.8487 8.1516 8.1516 11.5011 11.5011 11.9333 11.9333 11.9741 11.9741 12.8624 12.8624 13.2509 13.2509 18.0583 18.0583 20.7694 20.7694 24.5610 24.5610 25.6972 25.6972 k = 0.0000 0.0000 0.0797 ( 1415 PWs) bands (ev): -12.6363 -12.6363 -7.7056 -7.7056 -6.0344 -6.0344 -5.2458 -5.2458 1.7515 1.7515 4.7938 4.7938 5.2574 5.2574 5.7877 5.7877 6.8323 6.8323 7.8454 7.8454 8.2243 8.2243 11.4947 11.4947 11.8800 11.8800 11.9711 11.9711 12.8154 12.8154 13.2403 13.2403 18.0975 18.0975 20.7953 20.7953 24.5907 24.5907 25.6659 25.6659 k = 0.0000 0.0000 0.0877 ( 1411 PWs) bands (ev): -12.6262 -12.6262 -7.7369 -7.7369 -6.0591 -6.0591 -5.2092 -5.2092 1.7656 1.7656 4.7842 4.7842 5.2622 5.2622 5.8279 5.8279 6.7993 6.7993 7.8418 7.8418 8.2952 8.2952 11.4880 11.4880 11.8187 11.8187 11.9698 11.9698 12.7668 12.7668 13.2278 13.2278 18.1400 18.1400 20.8232 20.8232 24.6215 24.6215 25.6382 25.6382 k = 0.0000 0.0000 0.0956 ( 1413 PWs) bands (ev): -12.6153 -12.6153 -7.7705 -7.7705 -6.0812 -6.0812 -5.1742 -5.1742 1.7815 1.7815 4.7700 4.7700 5.2673 5.2673 5.8717 5.8717 6.7745 6.7745 7.8380 7.8380 8.3639 8.3639 11.4810 11.4810 11.7510 11.7510 11.9686 11.9686 12.7170 12.7170 13.2135 13.2135 18.1857 18.1857 20.8527 20.8527 24.6525 24.6525 25.6145 25.6145 k = 0.0000 0.0000 0.1036 ( 1414 PWs) bands (ev): -12.6036 -12.6036 -7.8062 -7.8062 -6.1009 -6.1009 -5.1410 -5.1410 1.7993 1.7993 4.7508 4.7508 5.2728 5.2728 5.9191 5.9191 6.7583 6.7583 7.8338 7.8338 8.4303 8.4303 11.4739 11.4739 11.6774 11.6774 11.9672 11.9672 12.6662 12.6662 13.1977 13.1977 18.2343 18.2343 20.8837 20.8837 24.6829 24.6829 25.5955 25.5955 k = 0.0000 0.0000 0.1116 ( 1418 PWs) bands (ev): -12.5913 -12.5913 -7.8439 -7.8439 -6.1181 -6.1181 -5.1096 -5.1096 1.8191 1.8191 4.7260 4.7260 5.2785 5.2785 5.9702 5.9702 6.7509 6.7509 7.8294 7.8294 8.4940 8.4940 11.4667 11.4667 11.5979 11.5979 11.9657 11.9657 12.6148 12.6148 13.1806 13.1806 18.2856 18.2856 20.9158 20.9158 24.7115 24.7115 25.5818 25.5818 k = 0.0000 0.0000 0.1195 ( 1414 PWs) bands (ev): -12.5783 -12.5783 -7.8833 -7.8833 -6.1329 -6.1329 -5.0801 -5.0801 1.8409 1.8409 4.6953 4.6953 5.2845 5.2845 6.0250 6.0250 6.7524 6.7524 7.8248 7.8248 8.5549 8.5549 11.4594 11.4594 11.5132 11.5132 11.9639 11.9639 12.5631 12.5631 13.1625 13.1625 18.3394 18.3394 20.9487 20.9487 24.7373 24.7373 25.5742 25.5742 k = 0.0000 0.0000 0.1275 ( 1411 PWs) bands (ev): -12.5648 -12.5648 -7.9240 -7.9240 -6.1455 -6.1455 -5.0526 -5.0526 1.8649 1.8649 4.6588 4.6588 5.2907 5.2907 6.0837 6.0837 6.7626 6.7626 7.8200 7.8200 8.6127 8.6127 11.4223 11.4223 11.4530 11.4530 11.9618 11.9618 12.5114 12.5114 13.1433 13.1433 18.3955 18.3955 20.9822 20.9822 24.7591 24.7591 25.5736 25.5736 k = 0.0000 0.0000 0.1355 ( 1411 PWs) bands (ev): -12.5508 -12.5508 -7.9658 -7.9658 -6.1560 -6.1560 -5.0270 -5.0270 1.8910 1.8910 4.6165 4.6165 5.2971 5.2971 6.1462 6.1462 6.7811 6.7811 7.8149 7.8149 8.6671 8.6671 11.3276 11.3276 11.4457 11.4457 11.9593 11.9593 12.4599 12.4599 13.1234 13.1234 18.4536 18.4536 21.0158 21.0158 24.7759 24.7759 25.5806 25.5806 k = 0.0000 0.0000 0.1434 ( 1409 PWs) bands (ev): -12.5363 -12.5363 -8.0085 -8.0085 -6.1645 -6.1645 -5.0034 -5.0034 1.9194 1.9194 4.5688 4.5688 5.3037 5.3037 6.2127 6.2127 6.8074 6.8074 7.8098 7.8098 8.7179 8.7179 11.2280 11.2280 11.4388 11.4388 11.9567 11.9567 12.4090 12.4090 13.1028 13.1028 18.5136 18.5136 21.0493 21.0493 24.7871 24.7871 25.5956 25.5956 k = 0.0000 0.0000 0.1514 ( 1413 PWs) bands (ev): -12.5216 -12.5216 -8.0516 -8.0516 -6.1713 -6.1713 -4.9818 -4.9818 1.9500 1.9500 4.5160 4.5160 5.3103 5.3103 6.2830 6.2830 6.8407 6.8407 7.8045 7.8045 8.7647 8.7647 11.1241 11.1241 11.4322 11.4322 11.9537 11.9537 12.3588 12.3588 13.0818 13.0818 18.5751 18.5751 21.0822 21.0822 24.7922 24.7922 25.6187 25.6187 k = 0.0000 0.0000 0.1594 ( 1415 PWs) bands (ev): -12.5066 -12.5066 -8.0949 -8.0949 -6.1763 -6.1763 -4.9621 -4.9621 1.9829 1.9829 4.4588 4.4588 5.3170 5.3170 6.3571 6.3571 6.8803 6.8803 7.7991 7.7991 8.8074 8.8074 11.0164 11.0164 11.4258 11.4258 11.9504 11.9504 12.3097 12.3097 13.0605 13.0605 18.6379 18.6379 21.1143 21.1143 24.7914 24.7914 25.6494 25.6494 k = 0.0000 0.0000 0.1673 ( 1415 PWs) bands (ev): -12.4915 -12.4915 -8.1381 -8.1381 -6.1799 -6.1799 -4.9442 -4.9442 2.0180 2.0180 4.3975 4.3975 5.3238 5.3238 6.4351 6.4351 6.9255 6.9255 7.7936 7.7936 8.8458 8.8458 10.9051 10.9051 11.4198 11.4198 11.9469 11.9469 12.2620 12.2620 13.0391 13.0391 18.7017 18.7017 21.1451 21.1451 24.7853 24.7853 25.6872 25.6872 k = 0.0000 0.0000 0.1753 ( 1415 PWs) bands (ev): -12.4763 -12.4763 -8.1808 -8.1808 -6.1822 -6.1822 -4.9282 -4.9282 2.0555 2.0555 4.3329 4.3329 5.3305 5.3305 6.5166 6.5166 6.9755 6.9755 7.7881 7.7881 8.8795 8.8795 10.7907 10.7907 11.4141 11.4141 11.9432 11.9432 12.2160 12.2160 13.0176 13.0176 18.7663 18.7663 21.1744 21.1744 24.7747 24.7747 25.7310 25.7310 k = 0.0000 0.0000 0.1833 ( 1415 PWs) bands (ev): -12.4611 -12.4611 -8.2229 -8.2229 -6.1833 -6.1833 -4.9138 -4.9138 2.0953 2.0953 4.2653 4.2653 5.3372 5.3372 6.6016 6.6016 7.0297 7.0297 7.7826 7.7826 8.9084 8.9084 10.6736 10.6736 11.4087 11.4087 11.9393 11.9393 12.1719 12.1719 12.9962 12.9962 18.8314 18.8314 21.2016 21.2016 24.7606 24.7606 25.7798 25.7798 k = 0.0000 0.0000 0.1912 ( 1415 PWs) bands (ev): -12.4461 -12.4461 -8.2641 -8.2641 -6.1835 -6.1835 -4.9011 -4.9011 2.1372 2.1372 4.1954 4.1954 5.3438 5.3438 6.6898 6.6898 7.0875 7.0875 7.7772 7.7772 8.9323 8.9323 10.5542 10.5542 11.4037 11.4037 11.9353 11.9353 12.1300 12.1300 12.9751 12.9751 18.8965 18.8965 21.2266 21.2266 24.7439 24.7439 25.8326 25.8326 k = 0.0000 0.0000 0.1992 ( 1415 PWs) bands (ev): -12.4313 -12.4313 -8.3039 -8.3039 -6.1827 -6.1827 -4.8900 -4.8900 2.1814 2.1814 4.1236 4.1236 5.3502 5.3502 6.7807 6.7807 7.1483 7.1483 7.7719 7.7719 8.9511 8.9511 10.4329 10.4329 11.3991 11.3991 11.9312 11.9312 12.0906 12.0906 12.9544 12.9544 18.9613 18.9613 21.2490 21.2490 24.7254 24.7254 25.8884 25.8884 k = 0.0000 0.0000 0.2072 ( 1415 PWs) bands (ev): -12.4169 -12.4169 -8.3423 -8.3423 -6.1813 -6.1813 -4.8803 -4.8803 2.2277 2.2277 4.0502 4.0502 5.3564 5.3564 6.8740 6.8740 7.2116 7.2116 7.7667 7.7667 8.9646 8.9646 10.3102 10.3102 11.3949 11.3949 11.9270 11.9270 12.0538 12.0538 12.9341 12.9341 19.0255 19.0255 21.2686 21.2686 24.7062 24.7062 25.9464 25.9464 k = 0.0000 0.0000 0.2152 ( 1415 PWs) bands (ev): -12.4030 -12.4030 -8.3790 -8.3790 -6.1794 -6.1794 -4.8719 -4.8719 2.2761 2.2761 3.9759 3.9759 5.3623 5.3623 6.9689 6.9689 7.2774 7.2774 7.7617 7.7617 8.9728 8.9728 10.1865 10.1865 11.3911 11.3911 11.9227 11.9227 12.0200 12.0200 12.9145 12.9145 19.0885 19.0885 21.2853 21.2853 24.6869 24.6869 26.0057 26.0057 k = 0.0000 0.0000 0.2231 ( 1415 PWs) bands (ev): -12.3897 -12.3897 -8.4137 -8.4137 -6.1771 -6.1771 -4.8648 -4.8648 2.3264 2.3264 3.9008 3.9008 5.3680 5.3680 7.0646 7.0646 7.3455 7.3455 7.7570 7.7570 8.9754 8.9754 10.0624 10.0624 11.3877 11.3877 11.9183 11.9183 11.9893 11.9893 12.8958 12.8958 19.1499 19.1499 21.2989 21.2989 24.6682 24.6682 26.0656 26.0656 k = 0.0000 0.0000 0.2311 ( 1416 PWs) bands (ev): -12.3770 -12.3770 -8.4462 -8.4462 -6.1744 -6.1744 -4.8587 -4.8587 2.3785 2.3785 3.8254 3.8254 5.3733 5.3733 7.1595 7.1595 7.4164 7.4164 7.7525 7.7525 8.9726 8.9726 9.9388 9.9388 11.3846 11.3846 11.9137 11.9137 11.9620 11.9620 12.8779 12.8779 19.2092 19.2092 21.3096 21.3096 24.6504 24.6504 26.1255 26.1255 k = 0.0000 0.0000 0.2391 ( 1414 PWs) bands (ev): -12.3652 -12.3652 -8.4762 -8.4762 -6.1717 -6.1717 -4.8537 -4.8537 2.4324 2.4324 3.7500 3.7500 5.3783 5.3783 7.2517 7.2517 7.4911 7.4911 7.7483 7.7483 8.9640 8.9640 9.8164 9.8164 11.3818 11.3818 11.9084 11.9084 11.9386 11.9386 12.8611 12.8611 19.2658 19.2658 21.3173 21.3173 24.6341 24.6341 26.1846 26.1846 k = 0.0000 0.0000 0.2470 ( 1414 PWs) bands (ev): -12.3543 -12.3543 -8.5037 -8.5037 -6.1688 -6.1688 -4.8495 -4.8495 2.4877 2.4877 3.6750 3.6750 5.3829 5.3829 7.3386 7.3386 7.5711 7.5711 7.7444 7.7444 8.9495 8.9495 9.6966 9.6966 11.3795 11.3795 11.9005 11.9005 11.9211 11.9211 12.8456 12.8456 19.3191 19.3191 21.3223 21.3223 24.6195 24.6195 26.2425 26.2425 k = 0.0000 0.0000 0.2550 ( 1416 PWs) bands (ev): -12.3444 -12.3444 -8.5284 -8.5284 -6.1661 -6.1661 -4.8461 -4.8461 2.5443 2.5443 3.6009 3.6009 5.3870 5.3870 7.4174 7.4174 7.6577 7.6577 7.7409 7.7409 8.9283 8.9283 9.5811 9.5811 11.3774 11.3774 11.8881 11.8881 11.9114 11.9114 12.8315 12.8315 19.3685 19.3685 21.3250 21.3250 24.6067 24.6067 26.2985 26.2985 k = 0.0000 0.0000 0.2630 ( 1416 PWs) bands (ev): -12.3356 -12.3356 -8.5501 -8.5501 -6.1635 -6.1635 -4.8434 -4.8434 2.6016 2.6016 3.5280 3.5280 5.3906 5.3906 7.4862 7.4862 7.7377 7.7377 7.7516 7.7516 8.8992 8.8992 9.4726 9.4726 11.3757 11.3757 11.8743 11.8743 11.9063 11.9063 12.8189 12.8189 19.4132 19.4132 21.3258 21.3258 24.5958 24.5958 26.3520 26.3520 k = 0.0000 0.0000 0.2709 ( 1416 PWs) bands (ev): -12.3280 -12.3280 -8.5687 -8.5687 -6.1612 -6.1612 -4.8413 -4.8413 2.6591 2.6591 3.4573 3.4573 5.3937 5.3937 7.5445 7.5445 7.7352 7.7352 7.8513 7.8513 8.8603 8.8603 9.3746 9.3746 11.3743 11.3743 11.8619 11.8619 11.9028 11.9028 12.8079 12.8079 19.4525 19.4525 21.3252 21.3252 24.5868 24.5868 26.4024 26.4024 k = 0.0000 0.0000 0.2789 ( 1418 PWs) bands (ev): -12.3216 -12.3216 -8.5842 -8.5842 -6.1592 -6.1592 -4.8396 -4.8396 2.7157 2.7157 3.3897 3.3897 5.3963 5.3963 7.5921 7.5921 7.7331 7.7331 7.9550 7.9550 8.8094 8.8094 9.2914 9.2914 11.3732 11.3732 11.8517 11.8517 11.9003 11.9003 12.7988 12.7988 19.4859 19.4859 21.3236 21.3236 24.5797 24.5797 26.4487 26.4487 k = 0.0000 0.0000 0.2869 ( 1422 PWs) bands (ev): -12.3166 -12.3166 -8.5963 -8.5963 -6.1575 -6.1575 -4.8385 -4.8385 2.7697 2.7697 3.3272 3.3272 5.3984 5.3984 7.6293 7.6293 7.7315 7.7315 8.0595 8.0595 8.7455 8.7455 9.2267 9.2267 11.3723 11.3723 11.8439 11.8439 11.8983 11.8983 12.7916 12.7916 19.5126 19.5126 21.3217 21.3217 24.5742 24.5742 26.4899 26.4899 k = 0.0000 0.0000 0.2948 ( 1420 PWs) bands (ev): -12.3130 -12.3130 -8.6050 -8.6050 -6.1563 -6.1563 -4.8376 -4.8376 2.8175 2.8175 3.2732 3.2732 5.3998 5.3998 7.6561 7.6561 7.7305 7.7305 8.1600 8.1600 8.6724 8.6724 9.1819 9.1819 11.3717 11.3717 11.8384 11.8384 11.8970 11.8970 12.7864 12.7864 19.5321 19.5321 21.3200 21.3200 24.5705 24.5705 26.5240 26.5240 k = 0.0000 0.0000 0.3028 ( 1418 PWs) bands (ev): -12.3108 -12.3108 -8.6102 -8.6102 -6.1556 -6.1556 -4.8372 -4.8372 2.8527 2.8527 3.2343 3.2343 5.4007 5.4007 7.6721 7.6721 7.7301 7.7301 8.2453 8.2453 8.6023 8.6023 9.1562 9.1562 11.3713 11.3713 11.8351 11.8351 11.8961 11.8961 12.7832 12.7832 19.5441 19.5441 21.3187 21.3187 24.5683 24.5683 26.5479 26.5479 k = 0.0000 0.0000 0.3108 ( 1416 PWs) bands (ev): -12.3101 -12.3101 -8.6120 -8.6120 -6.1553 -6.1553 -4.8370 -4.8370 2.8662 2.8662 3.2196 3.2196 5.4010 5.4010 7.6775 7.6775 7.7300 7.7300 8.2841 8.2841 8.5683 8.5683 9.1478 9.1478 11.3712 11.3712 11.8340 11.8340 11.8959 11.8959 12.7821 12.7821 19.5481 19.5481 21.3183 21.3183 24.5676 24.5676 26.5568 26.5568 k = 0.0000 0.0000 0.3108 ( 1416 PWs) bands (ev): -12.3101 -12.3101 -8.6120 -8.6120 -6.1553 -6.1553 -4.8370 -4.8370 2.8662 2.8662 3.2196 3.2196 5.4010 5.4010 7.6775 7.6775 7.7300 7.7300 8.2841 8.2841 8.5683 8.5683 9.1478 9.1478 11.3712 11.3712 11.8340 11.8340 11.8959 11.8959 12.7821 12.7821 19.5481 19.5481 21.3183 21.3183 24.5676 24.5676 26.5568 26.5568 k = 0.0000 0.0078 0.3108 ( 1416 PWs) bands (ev): -12.3097 -12.3097 -8.6113 -8.6113 -6.1565 -6.1565 -4.8388 -4.8388 2.8676 2.8676 3.2222 3.2222 5.4012 5.4012 7.6769 7.6769 7.7300 7.7300 8.2818 8.2818 8.5696 8.5696 9.1492 9.1492 11.3709 11.3709 11.8330 11.8330 11.8955 11.8955 12.7814 12.7814 19.5470 19.5470 21.3199 21.3199 24.5685 24.5685 26.5534 26.5534 k = 0.0000 0.0157 0.3108 ( 1415 PWs) bands (ev): -12.3087 -12.3087 -8.6092 -8.6092 -6.1600 -6.1600 -4.8440 -4.8440 2.8716 2.8716 3.2300 3.2300 5.4019 5.4019 7.6751 7.6751 7.7301 7.7301 8.2751 8.2751 8.5732 8.5732 9.1532 9.1532 11.3701 11.3701 11.8301 11.8301 11.8942 11.8942 12.7792 12.7792 19.5439 19.5439 21.3245 21.3245 24.5714 24.5714 26.5442 26.5442 k = 0.0000 0.0235 0.3108 ( 1419 PWs) bands (ev): -12.3069 -12.3069 -8.6058 -8.6058 -6.1657 -6.1657 -4.8527 -4.8527 2.8783 2.8783 3.2429 3.2429 5.4030 5.4030 7.6719 7.6719 7.7301 7.7301 8.2648 8.2648 8.5787 8.5787 9.1599 9.1599 11.3686 11.3686 11.8251 11.8251 11.8920 11.8920 12.7754 12.7754 19.5387 19.5387 21.3321 21.3321 24.5761 24.5761 26.5305 26.5305 k = 0.0000 0.0313 0.3108 ( 1423 PWs) bands (ev): -12.3045 -12.3045 -8.6009 -8.6009 -6.1737 -6.1737 -4.8649 -4.8649 2.8878 2.8878 3.2608 3.2608 5.4046 5.4046 7.6670 7.6670 7.7302 7.7302 8.2518 8.2518 8.5855 8.5855 9.1692 9.1692 11.3666 11.3666 11.8181 11.8181 11.8890 11.8890 12.7703 12.7703 19.5315 19.5315 21.3426 21.3426 24.5828 24.5828 26.5139 26.5139 k = 0.0000 0.0391 0.3108 ( 1423 PWs) bands (ev): -12.3013 -12.3013 -8.5948 -8.5948 -6.1838 -6.1838 -4.8804 -4.8804 2.9001 2.9001 3.2836 3.2836 5.4065 5.4065 7.6600 7.6600 7.7304 7.7304 8.2373 8.2373 8.5929 8.5929 9.1812 9.1812 11.3640 11.3640 11.8091 11.8091 11.8852 11.8852 12.7636 12.7636 19.5224 19.5224 21.3560 21.3560 24.5915 24.5915 26.4954 26.4954 k = 0.0000 0.0470 0.3108 ( 1423 PWs) bands (ev): -12.2975 -12.2975 -8.5872 -8.5872 -6.1960 -6.1960 -4.8993 -4.8993 2.9152 2.9152 3.3109 3.3109 5.4089 5.4089 7.6502 7.6502 7.7307 7.7307 8.2222 8.2222 8.6005 8.6005 9.1958 9.1958 11.3610 11.3610 11.7981 11.7981 11.8806 11.8806 12.7555 12.7555 19.5116 19.5116 21.3722 21.3722 24.6024 24.6024 26.4758 26.4758 k = 0.0000 0.0548 0.3108 ( 1423 PWs) bands (ev): -12.2930 -12.2930 -8.5784 -8.5784 -6.2102 -6.2102 -4.9214 -4.9214 2.9330 2.9330 3.3428 3.3428 5.4117 5.4117 7.6372 7.6372 7.7310 7.7310 8.2077 8.2077 8.6078 8.6078 9.2129 9.2129 11.3575 11.3575 11.7850 11.7850 11.8752 11.8752 12.7459 12.7459 19.4990 19.4990 21.3908 21.3908 24.6154 24.6154 26.4556 26.4556 k = 0.0000 0.0626 0.3108 ( 1418 PWs) bands (ev): -12.2879 -12.2879 -8.5683 -8.5683 -6.2262 -6.2262 -4.9466 -4.9466 2.9537 2.9537 3.3788 3.3788 5.4149 5.4149 7.6203 7.6203 7.7314 7.7314 8.1946 8.1946 8.6148 8.6148 9.2325 9.2325 11.3535 11.3535 11.7699 11.7699 11.8691 11.8691 12.7349 12.7349 19.4849 19.4849 21.4119 21.4119 24.6308 24.6308 26.4353 26.4353 k = 0.0000 0.0704 0.3108 ( 1420 PWs) bands (ev): -12.2822 -12.2822 -8.5568 -8.5568 -6.2439 -6.2439 -4.9748 -4.9748 2.9772 2.9772 3.4189 3.4189 5.4185 5.4185 7.5991 7.5991 7.7318 7.7318 8.1835 8.1835 8.6211 8.6211 9.2546 9.2546 11.3491 11.3491 11.7527 11.7527 11.8622 11.8622 12.7225 12.7225 19.4694 19.4694 21.4351 21.4351 24.6485 24.6485 26.4151 26.4151 k = 0.0000 0.0783 0.3108 ( 1421 PWs) bands (ev): -12.2759 -12.2759 -8.5442 -8.5442 -6.2632 -6.2632 -5.0060 -5.0060 3.0034 3.0034 3.4628 3.4628 5.4224 5.4224 7.5733 7.5733 7.7324 7.7324 8.1750 8.1750 8.6270 8.6270 9.2792 9.2792 11.3443 11.3443 11.7333 11.7333 11.8545 11.8545 12.7086 12.7086 19.4527 19.4527 21.4604 21.4604 24.6687 24.6687 26.3954 26.3954 k = 0.0000 0.0861 0.3108 ( 1424 PWs) bands (ev): -12.2690 -12.2690 -8.5303 -8.5303 -6.2838 -6.2838 -5.0399 -5.0399 3.0322 3.0322 3.5102 3.5102 5.4267 5.4267 7.5426 7.5426 7.7329 7.7329 8.1691 8.1691 8.6325 8.6325 9.3060 9.3060 11.3393 11.3393 11.7119 11.7119 11.8462 11.8462 12.6932 12.6932 19.4350 19.4350 21.4874 21.4874 24.6914 24.6914 26.3765 26.3765 k = 0.0000 0.0939 0.3108 ( 1426 PWs) bands (ev): -12.2616 -12.2616 -8.5153 -8.5153 -6.3057 -6.3057 -5.0765 -5.0765 3.0636 3.0636 3.5610 3.5610 5.4313 5.4313 7.5071 7.5071 7.7336 7.7336 8.1657 8.1657 8.6379 8.6379 9.3352 9.3352 11.3339 11.3339 11.6883 11.6883 11.8372 11.8372 12.6764 12.6764 19.4163 19.4163 21.5160 21.5160 24.7167 24.7167 26.3586 26.3586 k = 0.0000 0.1017 0.3108 ( 1425 PWs) bands (ev): -12.2537 -12.2537 -8.4991 -8.4991 -6.3286 -6.3286 -5.1156 -5.1156 3.0974 3.0974 3.6149 3.6149 5.4363 5.4363 7.4670 7.4670 7.7343 7.7343 8.1643 8.1643 8.6435 8.6435 9.3667 9.3667 11.3284 11.3284 11.6626 11.6626 11.8276 11.8276 12.6581 12.6581 19.3969 19.3969 21.5459 21.5459 24.7446 24.7446 26.3419 26.3419 k = 0.0000 0.1096 0.3108 ( 1427 PWs) bands (ev): -12.2454 -12.2454 -8.4819 -8.4819 -6.3523 -6.3523 -5.1570 -5.1570 3.1334 3.1334 3.6717 3.6717 5.4414 5.4414 7.4227 7.4227 7.7350 7.7350 8.1645 8.1645 8.6497 8.6497 9.4003 9.4003 11.3227 11.3227 11.6349 11.6349 11.8174 11.8174 12.6384 12.6384 19.3770 19.3770 21.5769 21.5769 24.7751 24.7751 26.3267 26.3267 k = 0.0000 0.1174 0.3108 ( 1427 PWs) bands (ev): -12.2366 -12.2366 -8.4637 -8.4637 -6.3767 -6.3767 -5.2007 -5.2007 3.1716 3.1716 3.7313 3.7313 5.4469 5.4469 7.3745 7.3745 7.7357 7.7357 8.1653 8.1653 8.6571 8.6571 9.4360 9.4360 11.3168 11.3168 11.6050 11.6050 11.8066 11.8066 12.6173 12.6173 19.3567 19.3567 21.6088 21.6088 24.8082 24.8082 26.3132 26.3132 k = 0.0000 0.1252 0.3108 ( 1429 PWs) bands (ev): -12.2275 -12.2275 -8.4445 -8.4445 -6.4014 -6.4014 -5.2464 -5.2464 3.2117 3.2117 3.7934 3.7934 5.4525 5.4525 7.3228 7.3228 7.7364 7.7364 8.1660 8.1660 8.6663 8.6663 9.4737 9.4737 11.3109 11.3109 11.5731 11.5731 11.7953 11.7953 12.5947 12.5947 19.3361 19.3361 21.6414 21.6414 24.8438 24.8438 26.3014 26.3014 k = 0.0000 0.1330 0.3108 ( 1429 PWs) bands (ev): -12.2180 -12.2180 -8.4244 -8.4244 -6.4263 -6.4263 -5.2940 -5.2940 3.2535 3.2535 3.8579 3.8579 5.4584 5.4584 7.2680 7.2680 7.7372 7.7372 8.1658 8.1658 8.6778 8.6778 9.5134 9.5134 11.3051 11.3051 11.5391 11.5391 11.7835 11.7835 12.5707 12.5707 19.3156 19.3156 21.6744 21.6744 24.8818 24.8818 26.2916 26.2916 k = 0.0000 0.1409 0.3108 ( 1424 PWs) bands (ev): -12.2083 -12.2083 -8.4036 -8.4036 -6.4511 -6.4511 -5.3433 -5.3433 3.2969 3.2969 3.9246 3.9246 5.4644 5.4644 7.2104 7.2104 7.7379 7.7379 8.1639 8.1639 8.6922 8.6922 9.5550 9.5550 11.2993 11.2993 11.5032 11.5032 11.7712 11.7712 12.5453 12.5453 19.2952 19.2952 21.7076 21.7076 24.9222 24.9222 26.2839 26.2839 k = 0.0000 0.1487 0.3108 ( 1426 PWs) bands (ev): -12.1983 -12.1983 -8.3820 -8.3820 -6.4757 -6.4757 -5.3942 -5.3942 3.3416 3.3416 3.9933 3.9933 5.4705 5.4705 7.1505 7.1505 7.7386 7.7386 8.1597 8.1597 8.7099 8.7099 9.5983 9.5983 11.2935 11.2935 11.4653 11.4653 11.7586 11.7586 12.5184 12.5184 19.2750 19.2750 21.7407 21.7407 24.9647 24.9647 26.2783 26.2783 k = 0.0000 0.1565 0.3108 ( 1429 PWs) bands (ev): -12.1881 -12.1881 -8.3599 -8.3599 -6.4997 -6.4997 -5.4465 -5.4465 3.3873 3.3873 4.0638 4.0638 5.4768 5.4768 7.0883 7.0883 7.7393 7.7393 8.1528 8.1528 8.7313 8.7313 9.6432 9.6432 11.2880 11.2880 11.4256 11.4256 11.7457 11.7457 12.4901 12.4901 19.2552 19.2552 21.7737 21.7737 25.0091 25.0091 26.2750 26.2750 k = 0.0000 0.1643 0.3108 ( 1429 PWs) bands (ev): -12.1779 -12.1779 -8.3372 -8.3372 -6.5230 -6.5230 -5.5001 -5.5001 3.4339 3.4339 4.1360 4.1360 5.4831 5.4831 7.0243 7.0243 7.7400 7.7400 8.1430 8.1430 8.7565 8.7565 9.6896 9.6896 11.2826 11.2826 11.3840 11.3840 11.7325 11.7325 12.4605 12.4605 19.2360 19.2360 21.8062 21.8062 25.0551 25.0551 26.2740 26.2740 k = 0.0000 0.1722 0.3108 ( 1427 PWs) bands (ev): -12.1675 -12.1675 -8.3141 -8.3141 -6.5452 -6.5452 -5.5547 -5.5547 3.4810 3.4810 4.2097 4.2097 5.4894 5.4894 6.9587 6.9587 7.7407 7.7407 8.1300 8.1300 8.7856 8.7856 9.7374 9.7374 11.2774 11.2774 11.3409 11.3409 11.7190 11.7190 12.4295 12.4295 19.2175 19.2175 21.8381 21.8381 25.1026 25.1026 26.2754 26.2754 k = 0.0000 0.1800 0.3108 ( 1427 PWs) bands (ev): -12.1572 -12.1572 -8.2907 -8.2907 -6.5661 -6.5661 -5.6102 -5.6102 3.5285 3.5285 4.2848 4.2848 5.4957 5.4957 6.8916 6.8916 7.7412 7.7412 8.1142 8.1142 8.8183 8.8183 9.7865 9.7865 11.2722 11.2722 11.2964 11.2964 11.7054 11.7054 12.3972 12.3972 19.1997 19.1997 21.8693 21.8693 25.1510 25.1510 26.2792 26.2792 k = 0.0000 0.1878 0.3108 ( 1425 PWs) bands (ev): -12.1469 -12.1469 -8.2672 -8.2672 -6.5855 -6.5855 -5.6665 -5.6665 3.5761 3.5761 4.3611 4.3611 5.5019 5.5019 6.8233 6.8233 7.7418 7.7418 8.0956 8.0956 8.8544 8.8544 9.8366 9.8366 11.2485 11.2485 11.2692 11.2692 11.6918 11.6918 12.3636 12.3636 19.1829 19.1829 21.8995 21.8995 25.2001 25.2001 26.2854 26.2854 k = 0.0000 0.1956 0.3108 ( 1426 PWs) bands (ev): -12.1367 -12.1367 -8.2437 -8.2437 -6.6031 -6.6031 -5.7234 -5.7234 3.6234 3.6234 4.4385 4.4385 5.5081 5.5081 6.7539 6.7539 7.7424 7.7424 8.0744 8.0744 8.8936 8.8936 9.8876 9.8876 11.2013 11.2013 11.2645 11.2645 11.6781 11.6781 12.3289 12.3289 19.1670 19.1670 21.9286 21.9286 25.2492 25.2492 26.2941 26.2941 k = 0.0000 0.2035 0.3108 ( 1426 PWs) bands (ev): -12.1268 -12.1268 -8.2203 -8.2203 -6.6187 -6.6187 -5.7807 -5.7807 3.6702 3.6702 4.5169 4.5169 5.5142 5.5142 6.6837 6.6837 7.7429 7.7429 8.0512 8.0512 8.9356 8.9356 9.9392 9.9392 11.1524 11.1524 11.2607 11.2607 11.6645 11.6645 12.2932 12.2932 19.1522 19.1522 21.9565 21.9565 25.2980 25.2980 26.3050 26.3050 k = 0.0000 0.2113 0.3108 ( 1426 PWs) bands (ev): -12.1170 -12.1170 -8.1971 -8.1971 -6.6319 -6.6319 -5.8382 -5.8382 3.7163 3.7163 4.5961 4.5961 5.5201 5.5201 6.6127 6.6127 7.7433 7.7433 8.0260 8.0260 8.9800 8.9800 9.9913 9.9913 11.1024 11.1024 11.2573 11.2573 11.6510 11.6510 12.2566 12.2566 19.1385 19.1385 21.9831 21.9831 25.3458 25.3458 26.3183 26.3183 k = 0.0000 0.2191 0.3108 ( 1430 PWs) bands (ev): -12.1076 -12.1076 -8.1745 -8.1745 -6.6427 -6.6427 -5.8959 -5.8959 3.7613 3.7613 4.6759 4.6759 5.5258 5.5258 6.5412 6.5412 7.7438 7.7438 7.9994 7.9994 9.0265 9.0265 10.0435 10.0435 11.0515 11.0515 11.2543 11.2543 11.6378 11.6378 12.2192 12.2192 19.1260 19.1260 22.0082 22.0082 25.3921 25.3921 26.3338 26.3338 k = 0.0000 0.2269 0.3108 ( 1424 PWs) bands (ev): -12.0985 -12.0985 -8.1524 -8.1524 -6.6507 -6.6507 -5.9534 -5.9534 3.8050 3.8050 4.7563 4.7563 5.5312 5.5312 6.4694 6.4694 7.7442 7.7442 7.9716 7.9716 9.0748 9.0748 10.0956 10.0956 11.0000 11.0000 11.2517 11.2517 11.6249 11.6249 12.1814 12.1814 19.1148 19.1148 22.0318 22.0318 25.4363 25.4363 26.3513 26.3513 k = 0.0000 0.2348 0.3108 ( 1425 PWs) bands (ev): -12.0899 -12.0899 -8.1310 -8.1310 -6.6557 -6.6557 -6.0108 -6.0108 3.8470 3.8470 4.8371 4.8371 5.5364 5.5364 6.3973 6.3973 7.7445 7.7445 7.9430 7.9430 9.1242 9.1242 10.1472 10.1472 10.9482 10.9482 11.2496 11.2496 11.6124 11.6124 12.1432 12.1432 19.1048 19.1048 22.0537 22.0537 25.4778 25.4778 26.3706 26.3706 k = 0.0000 0.2426 0.3108 ( 1424 PWs) bands (ev): -12.0817 -12.0817 -8.1106 -8.1106 -6.6577 -6.6577 -6.0677 -6.0677 3.8870 3.8870 4.9181 4.9181 5.5413 5.5413 6.3253 6.3253 7.7448 7.7448 7.9139 7.9139 9.1746 9.1746 10.1980 10.1980 10.8963 10.8963 11.2478 11.2478 11.6004 11.6004 12.1051 12.1051 19.0960 19.0960 22.0740 22.0740 25.5159 25.5159 26.3913 26.3913 k = 0.0000 0.2504 0.3108 ( 1424 PWs) bands (ev): -12.0741 -12.0741 -8.0912 -8.0912 -6.6563 -6.6563 -6.1240 -6.1240 3.9248 3.9248 4.9990 4.9990 5.5459 5.5459 6.2536 6.2536 7.7452 7.7452 7.8845 7.8845 9.2254 9.2254 10.2474 10.2474 10.8449 10.8449 11.2464 11.2464 11.5890 11.5890 12.0674 12.0674 19.0886 19.0886 22.0926 22.0926 25.5501 25.5501 26.4131 26.4131 k = 0.0000 0.2583 0.3108 ( 1424 PWs) bands (ev): -12.0671 -12.0671 -8.0729 -8.0729 -6.6515 -6.6515 -6.1796 -6.1796 3.9600 3.9600 5.0797 5.0797 5.5501 5.5501 6.1824 6.1824 7.7454 7.7454 7.8553 7.8553 9.2760 9.2760 10.2949 10.2949 10.7943 10.7943 11.2452 11.2452 11.5783 11.5783 12.0304 12.0304 19.0824 19.0824 22.1094 22.1094 25.5800 25.5800 26.4354 26.4354 k = 0.0000 0.2661 0.3108 ( 1424 PWs) bands (ev): -12.0608 -12.0608 -8.0559 -8.0559 -6.6432 -6.6432 -6.2342 -6.2342 3.9924 3.9924 5.1596 5.1596 5.5539 5.5539 6.1122 6.1122 7.7457 7.7457 7.8264 7.8264 9.3260 9.3260 10.3398 10.3398 10.7454 10.7454 11.2444 11.2444 11.5684 11.5684 11.9948 11.9948 19.0776 19.0776 22.1245 22.1245 25.6050 25.6050 26.4578 26.4578 k = 0.0000 0.2739 0.3108 ( 1424 PWs) bands (ev): -12.0551 -12.0551 -8.0402 -8.0402 -6.6313 -6.6313 -6.2877 -6.2877 4.0215 4.0215 5.2381 5.2381 5.5573 5.5573 6.0437 6.0437 7.7460 7.7460 7.7983 7.7983 9.3745 9.3745 10.3811 10.3811 10.6990 10.6990 11.2437 11.2437 11.5595 11.5595 11.9611 11.9611 19.0739 19.0739 22.1377 22.1377 25.6250 25.6250 26.4794 26.4794 k = 0.0000 0.2817 0.3108 ( 1426 PWs) bands (ev): -12.0502 -12.0502 -8.0261 -8.0261 -6.6159 -6.6159 -6.3398 -6.3398 4.0472 4.0472 5.3142 5.3142 5.5602 5.5602 5.9781 5.9781 7.7462 7.7462 7.7712 7.7712 9.4208 9.4208 10.4176 10.4176 10.6565 10.6565 11.2432 11.2432 11.5516 11.5516 11.9299 11.9299 19.0716 19.0716 22.1492 22.1492 25.6396 25.6396 26.4997 26.4997 k = 0.0000 0.2896 0.3108 ( 1419 PWs) bands (ev): -12.0460 -12.0460 -8.0134 -8.0134 -6.5969 -6.5969 -6.3904 -6.3904 4.0691 4.0691 5.3855 5.3855 5.5627 5.5627 5.9175 5.9175 7.7449 7.7449 7.7469 7.7469 9.4638 9.4638 10.4470 10.4470 10.6205 10.6205 11.2429 11.2429 11.5449 11.5449 11.9020 11.9020 19.0705 19.0705 22.1588 22.1588 25.6487 25.6487 26.5179 26.5179 k = 0.0000 0.2974 0.3108 ( 1421 PWs) bands (ev): -12.0427 -12.0427 -8.0023 -8.0023 -6.5745 -6.5745 -6.4392 -6.4392 4.0870 4.0870 5.4476 5.4476 5.5647 5.5647 5.8665 5.8665 7.7209 7.7209 7.7468 7.7468 9.5024 9.5024 10.4656 10.4656 10.5949 10.5949 11.2426 11.2426 11.5394 11.5394 11.8780 11.8780 19.0706 19.0706 22.1666 22.1666 25.6523 25.6523 26.5331 26.5331 k = 0.0000 0.3052 0.3108 ( 1421 PWs) bands (ev): -12.0402 -12.0402 -7.9928 -7.9928 -6.5488 -6.5488 -6.4859 -6.4859 4.1007 4.1007 5.4911 5.4911 5.5662 5.5662 5.8347 5.8347 7.6984 7.6984 7.7470 7.7470 9.5352 9.5352 10.4696 10.4696 10.5841 10.5841 11.2422 11.2422 11.5352 11.5352 11.8588 11.8588 19.0719 19.0719 22.1726 22.1726 25.6505 25.6505 26.5449 26.5449 k = 0.0000 0.3130 0.3108 ( 1422 PWs) bands (ev): -12.0386 -12.0386 -7.9850 -7.9850 -6.5325 -6.5325 -6.5177 -6.5177 4.1098 4.1098 5.5029 5.5029 5.5672 5.5672 5.8348 5.8348 7.6778 7.6778 7.7473 7.7473 9.5606 9.5606 10.4624 10.4624 10.5855 10.5855 11.2418 11.2418 11.5323 11.5323 11.8452 11.8452 19.0744 19.0744 22.1768 22.1768 25.6432 25.6432 26.5526 26.5526 k = 0.0000 0.3130 0.3108 ( 1422 PWs) bands (ev): -12.0386 -12.0386 -7.9850 -7.9850 -6.5325 -6.5325 -6.5177 -6.5177 4.1098 4.1098 5.5029 5.5029 5.5672 5.5672 5.8348 5.8348 7.6778 7.6778 7.7473 7.7473 9.5606 9.5606 10.4624 10.4624 10.5855 10.5855 11.2418 11.2418 11.5323 11.5323 11.8452 11.8452 19.0744 19.0744 22.1768 22.1768 25.6432 25.6432 26.5526 26.5526 k = 0.0000 0.3175 0.3058 ( 1422 PWs) bands (ev): -12.0374 -12.0374 -7.9790 -7.9790 -6.5412 -6.5412 -6.5210 -6.5210 4.1204 4.1204 5.5125 5.5125 5.5680 5.5680 5.8367 5.8367 7.6572 7.6572 7.7475 7.7475 9.5776 9.5776 10.4542 10.4542 10.5870 10.5870 11.2411 11.2411 11.5305 11.5305 11.8365 11.8365 19.0776 19.0776 22.1810 22.1810 25.6384 25.6384 26.5545 26.5545 k = 0.0000 0.3220 0.3009 ( 1424 PWs) bands (ev): -12.0367 -12.0367 -7.9753 -7.9753 -6.5469 -6.5469 -6.5226 -6.5226 4.1268 4.1268 5.5184 5.5184 5.5684 5.5684 5.8379 5.8379 7.6447 7.6447 7.7477 7.7477 9.5879 9.5879 10.4491 10.4491 10.5880 10.5880 11.2407 11.2407 11.5293 11.5293 11.8312 11.8312 19.0795 19.0795 22.1835 22.1835 25.6355 25.6355 26.5557 26.5557 k = 0.0000 0.3265 0.2960 ( 1422 PWs) bands (ev): -12.0364 -12.0364 -7.9741 -7.9741 -6.5489 -6.5489 -6.5231 -6.5231 4.1289 4.1289 5.5204 5.5204 5.5686 5.5686 5.8383 5.8383 7.6406 7.6406 7.7477 7.7477 9.5913 9.5913 10.4474 10.4474 10.5883 10.5883 11.2405 11.2405 11.5289 11.5289 11.8294 11.8294 19.0801 19.0801 22.1844 22.1844 25.6346 25.6346 26.5561 26.5561 k = 0.0000 0.3265 0.2960 ( 1422 PWs) bands (ev): -12.0364 -12.0364 -7.9741 -7.9741 -6.5489 -6.5489 -6.5231 -6.5231 4.1289 4.1289 5.5204 5.5204 5.5686 5.5686 5.8383 5.8383 7.6406 7.6406 7.7477 7.7477 9.5913 9.5913 10.4474 10.4474 10.5883 10.5883 11.2405 11.2405 11.5289 11.5289 11.8294 11.8294 19.0801 19.0801 22.1844 22.1844 25.6346 25.6346 26.5561 26.5561 k = 0.0079 0.3265 0.2960 ( 1422 PWs) bands (ev): -12.0355 -12.0355 -7.9733 -7.9733 -6.5482 -6.5482 -6.5225 -6.5225 4.1284 4.1284 5.4292 5.4292 5.6571 5.6571 5.8384 5.8384 7.6295 7.6295 7.7538 7.7538 9.5920 9.5920 10.4396 10.4396 10.5907 10.5907 11.2458 11.2458 11.5262 11.5262 11.8298 11.8298 19.0849 19.0849 22.1889 22.1889 25.6355 25.6355 26.5592 26.5592 k = 0.0159 0.3265 0.2960 ( 1420 PWs) bands (ev): -12.0326 -12.0326 -7.9711 -7.9711 -6.5464 -6.5464 -6.5205 -6.5205 4.1266 4.1266 5.3151 5.3151 5.7629 5.7629 5.8390 5.8390 7.6008 7.6008 7.7675 7.7675 9.5941 9.5941 10.4169 10.4169 10.5978 10.5978 11.2610 11.2610 11.5179 11.5179 11.8311 11.8311 19.0993 19.0993 22.2022 22.2022 25.6382 25.6382 26.5686 26.5686 k = 0.0238 0.3265 0.2960 ( 1422 PWs) bands (ev): -12.0278 -12.0278 -7.9674 -7.9674 -6.5434 -6.5434 -6.5173 -6.5173 4.1234 4.1234 5.1978 5.1978 5.8397 5.8397 5.8667 5.8667 7.5604 7.5604 7.7833 7.7833 9.5976 9.5976 10.3809 10.3809 10.6094 10.6094 11.2845 11.2845 11.5042 11.5042 11.8332 11.8332 19.1232 19.1232 22.2244 22.2244 25.6428 25.6428 26.5837 26.5837 k = 0.0317 0.3265 0.2960 ( 1426 PWs) bands (ev): -12.0211 -12.0211 -7.9621 -7.9621 -6.5392 -6.5392 -6.5127 -6.5127 4.1186 4.1186 5.0785 5.0785 5.8409 5.8409 5.9674 5.9674 7.5108 7.5108 7.7988 7.7988 9.6025 9.6025 10.3337 10.3337 10.6252 10.6252 11.3143 11.3143 11.4853 11.4853 11.8360 11.8360 19.1565 19.1565 22.2554 22.2554 25.6490 25.6490 26.6040 26.6040 k = 0.0397 0.3265 0.2960 ( 1424 PWs) bands (ev): -12.0125 -12.0125 -7.9554 -7.9554 -6.5337 -6.5337 -6.5069 -6.5069 4.1116 4.1116 4.9578 4.9578 5.8424 5.8424 6.0652 6.0652 7.4530 7.4530 7.8138 7.8138 9.6088 9.6088 10.2773 10.2773 10.6448 10.6448 11.3484 11.3484 11.4611 11.4611 11.8397 11.8397 19.1990 19.1990 22.2950 22.2950 25.6569 25.6569 26.6279 26.6279 k = 0.0476 0.3265 0.2960 ( 1424 PWs) bands (ev): -12.0020 -12.0020 -7.9473 -7.9473 -6.5271 -6.5271 -6.4998 -6.4998 4.1017 4.1017 4.8367 4.8367 5.8441 5.8441 6.1600 6.1600 7.3875 7.3875 7.8283 7.8283 9.6164 9.6164 10.2134 10.2134 10.6678 10.6678 11.3850 11.3850 11.4322 11.4322 11.8441 11.8441 19.2504 19.2504 22.3430 22.3430 25.6664 25.6664 26.6523 26.6523 k = 0.0556 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.9896 -11.9896 -7.9376 -7.9376 -6.5193 -6.5193 -6.4914 -6.4914 4.0875 4.0875 4.7168 4.7168 5.8460 5.8460 6.2518 6.2518 7.3146 7.3146 7.8424 7.8424 9.6253 9.6253 10.1436 10.1436 10.6936 10.6936 11.3972 11.3972 11.4243 11.4243 11.8493 11.8493 19.3105 19.3105 22.3993 22.3993 25.6773 25.6773 26.6700 26.6700 k = 0.0635 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.9753 -11.9753 -7.9266 -7.9266 -6.5104 -6.5104 -6.4817 -6.4817 4.0664 4.0664 4.6007 4.6007 5.8480 5.8480 6.3406 6.3406 7.2348 7.2348 7.8565 7.8565 9.6355 9.6355 10.0689 10.0689 10.7218 10.7218 11.3590 11.3590 11.4625 11.4625 11.8551 11.8551 19.3790 19.3790 22.4637 22.4637 25.6895 25.6895 26.6643 26.6643 k = 0.0714 0.3265 0.2960 ( 1420 PWs) bands (ev): -11.9591 -11.9591 -7.9140 -7.9140 -6.5003 -6.5003 -6.4709 -6.4709 4.0343 4.0343 4.4928 4.4928 5.8502 5.8502 6.4265 6.4265 7.1485 7.1485 7.8707 7.8707 9.6470 9.6470 9.9902 9.9902 10.7519 10.7519 11.3161 11.3161 11.5009 11.5009 11.8617 11.8617 19.4556 19.4556 22.5358 22.5358 25.7029 25.7029 26.6153 26.6153 k = 0.0794 0.3265 0.2960 ( 1414 PWs) bands (ev): -11.9411 -11.9411 -7.9001 -7.9001 -6.4892 -6.4892 -6.4587 -6.4587 3.9849 3.9849 4.3994 4.3994 5.8523 5.8523 6.5096 6.5096 7.0563 7.0563 7.8852 7.8852 9.6597 9.6597 9.9082 9.9082 10.7834 10.7834 11.2691 11.2691 11.5386 11.5386 11.8690 11.8690 19.5396 19.5396 22.6154 22.6154 25.7173 25.7173 26.5300 26.5300 k = 0.0873 0.3265 0.2960 ( 1414 PWs) bands (ev): -11.9212 -11.9212 -7.8847 -7.8847 -6.4770 -6.4770 -6.4454 -6.4454 3.9123 3.9123 4.3266 4.3266 5.8543 5.8543 6.5898 6.5898 6.9586 6.9586 7.9002 7.9002 9.6735 9.6735 9.8235 9.8235 10.8157 10.8157 11.2183 11.2183 11.5752 11.5752 11.8769 11.8769 19.6307 19.6307 22.7020 22.7020 25.7325 25.7325 26.4282 26.4282 k = 0.0952 0.3265 0.2960 ( 1416 PWs) bands (ev): -11.8995 -11.8995 -7.8679 -7.8679 -6.4637 -6.4637 -6.4309 -6.4309 3.8159 3.8159 4.2752 4.2752 5.8561 5.8561 6.6674 6.6674 6.8559 6.8559 7.9157 7.9157 9.6884 9.6884 9.7368 9.7368 10.8486 10.8486 11.1639 11.1639 11.6104 11.6104 11.8854 11.8854 19.7283 19.7283 22.7953 22.7953 25.7485 25.7485 26.3205 26.3205 k = 0.1032 0.3265 0.2960 ( 1418 PWs) bands (ev): -11.8760 -11.8760 -7.8498 -7.8498 -6.4494 -6.4494 -6.4152 -6.4152 3.7009 3.7009 4.2400 4.2400 5.8574 5.8574 6.7421 6.7421 6.7492 6.7492 7.9318 7.9318 9.6481 9.6481 9.7046 9.7046 10.8817 10.8817 11.1063 11.1063 11.6440 11.6440 11.8946 11.8946 19.8319 19.8319 22.8950 22.8950 25.7650 25.7650 26.2116 26.2116 k = 0.1111 0.3265 0.2960 ( 1422 PWs) bands (ev): -11.8507 -11.8507 -7.8303 -7.8303 -6.4342 -6.4342 -6.3983 -6.3983 3.5736 3.5736 4.2150 4.2150 5.8581 5.8581 6.6381 6.6381 6.8150 6.8150 7.9485 7.9485 9.5584 9.5584 9.7216 9.7216 10.9146 10.9146 11.0460 11.0460 11.6759 11.6759 11.9044 11.9044 19.9407 19.9407 23.0005 23.0005 25.7817 25.7817 26.1036 26.1036 k = 0.1190 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.8237 -11.8237 -7.8094 -7.8094 -6.4180 -6.4180 -6.3804 -6.3804 3.4384 3.4384 4.1958 4.1958 5.8579 5.8579 6.5243 6.5243 6.8852 6.8852 7.9659 7.9659 9.4679 9.4679 9.7395 9.7395 10.9462 10.9462 10.9839 10.9839 11.7060 11.7060 11.9148 11.9148 20.0541 20.0541 23.1113 23.1113 25.7985 25.7985 25.9981 25.9981 k = 0.1270 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.7948 -11.7948 -7.7873 -7.7873 -6.4010 -6.4010 -6.3613 -6.3613 3.2982 3.2982 4.1799 4.1799 5.8561 5.8561 6.4082 6.4082 6.9532 6.9532 7.9838 7.9838 9.3770 9.3770 9.7584 9.7584 10.9164 10.9164 10.9806 10.9806 11.7343 11.7343 11.9257 11.9257 20.1712 20.1712 23.2271 23.2271 25.8144 25.8144 25.8968 25.8968 k = 0.1349 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.7643 -11.7643 -7.7638 -7.7638 -6.3831 -6.3831 -6.3411 -6.3411 3.1546 3.1546 4.1657 4.1657 5.8517 5.8517 6.2911 6.2911 7.0190 7.0190 8.0022 8.0022 9.2861 9.2861 9.7781 9.7781 10.8498 10.8498 11.0114 11.0114 11.7607 11.7607 11.9371 11.9371 20.2911 20.2911 23.3470 23.3470 25.7914 25.7914 25.8383 25.8383 k = 0.1429 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.7321 -11.7321 -7.7392 -7.7392 -6.3644 -6.3644 -6.3200 -6.3200 3.0086 3.0086 4.1523 4.1523 5.8427 5.8427 6.1754 6.1754 7.0828 7.0828 8.0211 8.0211 9.1958 9.1958 9.7985 9.7985 10.7813 10.7813 11.0417 11.0417 11.7851 11.7851 11.9490 11.9490 20.4130 20.4130 23.4706 23.4706 25.7011 25.7011 25.8520 25.8520 k = 0.1508 0.3265 0.2960 ( 1420 PWs) bands (ev): -11.6982 -11.6982 -7.7132 -7.7132 -6.3450 -6.3450 -6.2978 -6.2978 2.8610 2.8610 4.1391 4.1391 5.8235 5.8235 6.0669 6.0669 7.1447 7.1447 8.0403 8.0403 9.1066 9.1066 9.8195 9.8195 10.7117 10.7117 11.0709 11.0709 11.8077 11.8077 11.9614 11.9614 20.5357 20.5357 23.5971 23.5971 25.6139 25.6139 25.8680 25.8680 k = 0.1587 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.6627 -11.6627 -7.6861 -7.6861 -6.3249 -6.3249 -6.2746 -6.2746 2.7123 2.7123 4.1258 4.1258 5.7803 5.7803 5.9794 5.9794 7.2047 7.2047 8.0595 8.0595 9.0189 9.0189 9.8410 9.8410 10.6414 10.6414 11.0990 11.0990 11.8283 11.8283 11.9742 11.9742 20.6580 20.6580 23.7254 23.7254 25.5333 25.5333 25.8838 25.8838 k = 0.1667 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.6256 -11.6256 -7.6579 -7.6579 -6.3042 -6.3042 -6.2505 -6.2505 2.5629 2.5629 4.1120 4.1120 5.6988 5.6988 5.9274 5.9274 7.2631 7.2631 8.0785 8.0785 8.9336 8.9336 9.8628 9.8628 10.5708 10.5708 11.1258 11.1258 11.8470 11.8470 11.9874 11.9874 20.7786 20.7786 23.8548 23.8548 25.4605 25.4605 25.8990 25.8990 k = 0.1746 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.5869 -11.5869 -7.6285 -7.6285 -6.2830 -6.2830 -6.2256 -6.2256 2.4133 2.4133 4.0976 4.0976 5.5893 5.5893 5.9007 5.9007 7.3198 7.3198 8.0968 8.0968 8.8514 8.8514 9.8847 9.8847 10.5004 10.5004 11.1514 11.1514 11.8639 11.8639 12.0009 12.0009 20.8961 20.8961 23.9841 23.9841 25.3967 25.3967 25.9134 25.9134 k = 0.1825 0.3265 0.2960 ( 1420 PWs) bands (ev): -11.5468 -11.5468 -7.5981 -7.5981 -6.2613 -6.2613 -6.1997 -6.1997 2.2636 2.2636 4.0824 4.0824 5.4676 5.4676 5.8836 5.8836 7.3749 7.3749 8.1137 8.1137 8.7734 8.7734 9.9062 9.9062 10.4310 10.4310 11.1755 11.1755 11.8789 11.8789 12.0148 12.0148 21.0090 21.0090 24.1119 24.1119 25.3431 25.3431 25.9270 25.9270 k = 0.1905 0.3265 0.2960 ( 1420 PWs) bands (ev): -11.5051 -11.5051 -7.5666 -7.5666 -6.2393 -6.2393 -6.1731 -6.1731 2.1143 2.1143 4.0663 4.0663 5.3405 5.3405 5.8691 5.8691 7.4286 7.4286 8.1282 8.1282 8.7010 8.7010 9.9268 9.9268 10.3633 10.3633 11.1983 11.1983 11.8922 11.8922 12.0290 12.0290 21.1158 21.1158 24.2365 24.2365 25.3009 25.3009 25.9395 25.9395 k = 0.1984 0.3265 0.2960 ( 1422 PWs) bands (ev): -11.4621 -11.4621 -7.5341 -7.5341 -6.2169 -6.2169 -6.1457 -6.1457 1.9655 1.9655 4.0491 4.0491 5.2109 5.2109 5.8546 5.8546 7.4809 7.4809 8.1388 8.1388 8.6361 8.6361 9.9452 9.9452 10.2989 10.2989 11.2195 11.2195 11.9036 11.9036 12.0434 12.0434 21.2149 21.2149 24.3559 24.3559 25.2715 25.2715 25.9509 25.9509 k = 0.2063 0.3265 0.2960 ( 1422 PWs) bands (ev): -11.4176 -11.4176 -7.5007 -7.5007 -6.1943 -6.1943 -6.1176 -6.1176 1.8176 1.8176 4.0308 4.0308 5.0801 5.0801 5.8388 5.8388 7.5319 7.5319 8.1433 8.1433 8.5812 8.5812 9.9590 9.9590 10.2403 10.2403 11.2393 11.2393 11.9134 11.9134 12.0580 12.0580 21.3046 21.3046 24.4677 24.4677 25.2561 25.2561 25.9611 25.9611 k = 0.2143 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.3719 -11.3719 -7.4664 -7.4664 -6.1716 -6.1716 -6.0889 -6.0889 1.6708 1.6708 4.0113 4.0113 4.9487 4.9487 5.8210 5.8210 7.5815 7.5815 8.1392 8.1392 8.5391 8.5391 9.9632 9.9632 10.1927 10.1927 11.2577 11.2577 11.9214 11.9214 12.0728 12.0728 21.3837 21.3837 24.5693 24.5693 25.2556 25.2556 25.9698 25.9698 k = 0.2222 0.3265 0.2960 ( 1426 PWs) bands (ev): -11.3249 -11.3249 -7.4314 -7.4314 -6.1488 -6.1488 -6.0596 -6.0596 1.5253 1.5253 3.9906 3.9906 4.8172 4.8172 5.8007 5.8007 7.6300 7.6300 8.1246 8.1246 8.5122 8.5122 9.9507 9.9507 10.1634 10.1634 11.2745 11.2745 11.9279 11.9279 12.0877 12.0877 21.4509 21.4509 24.6574 24.6574 25.2707 25.2707 25.9770 25.9770 k = 0.2302 0.3265 0.2960 ( 1424 PWs) bands (ev): -11.2767 -11.2767 -7.3955 -7.3955 -6.1262 -6.1262 -6.0297 -6.0297 1.3813 1.3813 3.9687 3.9687 4.6860 4.6860 5.7775 5.7775 7.6772 7.6772 8.0998 8.0998 8.5003 8.5003 9.9184 9.9184 10.1557 10.1557 11.2899 11.2899 11.9327 11.9327 12.1028 12.1028 21.5054 21.5054 24.7292 24.7292 25.3019 25.3019 25.9824 25.9824 k = 0.2381 0.3265 0.2960 ( 1422 PWs) bands (ev): -11.2274 -11.2274 -7.3589 -7.3589 -6.1036 -6.1036 -5.9994 -5.9994 1.2390 1.2390 3.9454 3.9454 4.5555 4.5555 5.7513 5.7513 7.7233 7.7233 8.0673 8.0673 8.5013 8.5013 9.8722 9.8722 10.1639 10.1639 11.3038 11.3038 11.9361 11.9361 12.1178 12.1178 21.5468 21.5468 24.7825 24.7825 25.3489 25.3489 25.9859 25.9859 k = 0.2460 0.3265 0.2960 ( 1420 PWs) bands (ev): -11.1770 -11.1770 -7.3218 -7.3218 -6.0814 -6.0814 -5.9687 -5.9687 1.0988 1.0988 3.9208 3.9208 4.4259 4.4259 5.7218 5.7218 7.7683 7.7683 8.0305 8.0305 8.5119 8.5119 9.8193 9.8193 10.1809 10.1809 11.3163 11.3163 11.9379 11.9379 12.1329 12.1329 21.5751 21.5751 24.8164 24.8164 25.4111 25.4111 25.9876 25.9876 k = 0.2540 0.3265 0.2960 ( 1418 PWs) bands (ev): -11.1257 -11.1257 -7.2840 -7.2840 -6.0595 -6.0595 -5.9376 -5.9376 0.9608 0.9608 3.8949 3.8949 4.2974 4.2974 5.6890 5.6890 7.8121 7.8121 7.9924 7.9924 8.5291 8.5291 9.7640 9.7640 10.2023 10.2023 11.3273 11.3273 11.9384 11.9384 12.1480 12.1480 21.5908 21.5908 24.8317 24.8317 25.4874 25.4874 25.9875 25.9876 k = 0.2619 0.3265 0.2960 ( 1416 PWs) bands (ev): -11.0735 -11.0735 -7.2458 -7.2458 -6.0381 -6.0381 -5.9062 -5.9062 0.8251 0.8251 3.8678 3.8678 4.1702 4.1702 5.6529 5.6529 7.8548 7.8548 7.9553 7.9553 8.5510 8.5510 9.7085 9.7085 10.2262 10.2262 11.3368 11.3368 11.9375 11.9375 12.1629 12.1629 21.5946 21.5946 24.8307 24.8307 25.5760 25.5760 25.9860 25.9860 k = 0.2698 0.3265 0.2960 ( 1414 PWs) bands (ev): -11.0205 -11.0205 -7.2072 -7.2072 -6.0172 -6.0172 -5.8747 -5.8747 0.6922 0.6922 3.8394 3.8394 4.0446 4.0446 5.6135 5.6135 7.8957 7.8957 7.9212 7.9212 8.5760 8.5760 9.6538 9.6538 10.2515 10.2515 11.3450 11.3450 11.9353 11.9353 12.1778 12.1778 21.5877 21.5877 24.8163 24.8163 25.6747 25.6747 25.9829 25.9829 k = 0.2778 0.3265 0.2960 ( 1420 PWs) bands (ev): -10.9668 -10.9668 -7.1682 -7.1682 -5.9971 -5.9971 -5.8431 -5.8431 0.5620 0.5620 3.8098 3.8098 3.9209 3.9209 5.5709 5.5709 7.8876 7.8876 7.9380 7.9380 8.6034 8.6034 9.6007 9.6007 10.2776 10.2776 11.3518 11.3518 11.9319 11.9319 12.1925 12.1925 21.5712 21.5712 24.7918 24.7918 25.7808 25.7808 25.9786 25.9786 k = 0.2857 0.3265 0.2960 ( 1420 PWs) bands (ev): -10.9126 -10.9126 -7.1291 -7.1291 -5.9778 -5.9778 -5.8114 -5.8114 0.4350 0.4350 3.7789 3.7789 3.7993 3.7993 5.5255 5.5255 7.8595 7.8595 7.9772 7.9772 8.6323 8.6323 9.5495 9.5495 10.3042 10.3042 11.3573 11.3573 11.9273 11.9273 12.2070 12.2070 21.5465 21.5465 24.7599 24.7599 25.8908 25.8908 25.9736 25.9736 k = 0.2937 0.3265 0.2960 ( 1424 PWs) bands (ev): -10.8578 -10.8578 -7.0898 -7.0898 -5.9595 -5.9595 -5.7797 -5.7797 0.3112 0.3112 3.6793 3.6793 3.7475 3.7475 5.4774 5.4774 7.8348 7.8348 8.0156 8.0156 8.6625 8.6625 9.5004 9.5004 10.3310 10.3310 11.3614 11.3614 11.9217 11.9217 12.2213 12.2213 21.5148 21.5148 24.7228 24.7228 25.9629 25.9629 26.0062 26.0062 k = 0.3016 0.3265 0.2960 ( 1422 PWs) bands (ev): -10.8027 -10.8027 -7.0504 -7.0504 -5.9421 -5.9421 -5.7482 -5.7482 0.1908 0.1908 3.5621 3.5621 3.7149 3.7149 5.4270 5.4270 7.8139 7.8139 8.0530 8.0530 8.6936 8.6936 9.4536 9.4536 10.3579 10.3579 11.3643 11.3643 11.9151 11.9151 12.2353 12.2353 21.4775 21.4775 24.6825 24.6825 25.9571 25.9571 26.1125 26.1125 k = 0.3095 0.3265 0.2960 ( 1424 PWs) bands (ev): -10.7474 -10.7474 -7.0112 -7.0112 -5.9259 -5.9259 -5.7169 -5.7169 0.0742 0.0742 3.4475 3.4475 3.6814 3.6814 5.3746 5.3746 7.7965 7.7965 8.0892 8.0892 8.7253 8.7253 9.4092 9.4092 10.3847 10.3847 11.3660 11.3660 11.9076 11.9076 12.2490 12.2490 21.4356 21.4356 24.6403 24.6403 25.9489 25.9489 26.2123 26.2123 k = 0.3175 0.3265 0.2960 ( 1424 PWs) bands (ev): -10.6920 -10.6920 -6.9721 -6.9721 -5.9110 -5.9110 -5.6859 -5.6859 -0.0386 -0.0386 3.3356 3.3356 3.6473 3.6473 5.3207 5.3207 7.7826 7.7826 8.1244 8.1244 8.7573 8.7573 9.3672 9.3672 10.4113 10.4113 11.3666 11.3666 11.8993 11.8993 12.2624 12.2624 21.3903 21.3903 24.5973 24.5973 25.9401 25.9401 26.2992 26.2992 k = 0.3254 0.3265 0.2960 ( 1424 PWs) bands (ev): -10.6366 -10.6366 -6.9333 -6.9333 -5.8973 -5.8973 -5.6552 -5.6552 -0.1474 -0.1474 3.2267 3.2267 3.6126 3.6126 5.2656 5.2656 7.7718 7.7718 8.1583 8.1583 8.7896 8.7896 9.3276 9.3276 10.4375 10.4375 11.3660 11.3660 11.8903 11.8903 12.2754 12.2754 21.3423 21.3423 24.5542 24.5542 25.9311 25.9311 26.3687 26.3687 k = 0.3333 0.3265 0.2960 ( 1428 PWs) bands (ev): -10.5815 -10.5815 -6.8949 -6.8949 -5.8850 -5.8850 -5.6251 -5.6251 -0.2520 -0.2520 3.1209 3.1209 3.5776 3.5776 5.2098 5.2098 7.7640 7.7640 8.1911 8.1911 8.8220 8.8220 9.2905 9.2905 10.4634 10.4634 11.3644 11.3644 11.8807 11.8807 12.2879 12.2879 21.2926 21.2926 24.5116 24.5116 25.9222 25.9222 26.4178 26.4178 k = 0.3413 0.3265 0.2960 ( 1428 PWs) bands (ev): -10.5267 -10.5267 -6.8570 -6.8570 -5.8741 -5.8741 -5.5955 -5.5955 -0.3522 -0.3522 3.0184 3.0184 3.5423 3.5423 5.1537 5.1537 7.7589 7.7589 8.2227 8.2227 8.8542 8.8542 9.2558 9.2558 10.4887 10.4887 11.3618 11.3618 11.8705 11.8705 12.3000 12.3000 21.2419 21.2419 24.4699 24.4699 25.9137 25.9137 26.4461 26.4461 k = 0.3492 0.3265 0.2960 ( 1426 PWs) bands (ev): -10.4725 -10.4725 -6.8198 -6.8198 -5.8648 -5.8648 -5.5666 -5.5666 -0.4479 -0.4479 2.9194 2.9194 3.5070 3.5070 5.0977 5.0977 7.7561 7.7561 8.2531 8.2531 8.8862 8.8862 9.2236 9.2236 10.5135 10.5135 11.3584 11.3584 11.8599 11.8599 12.3117 12.3117 21.1908 21.1908 24.4296 24.4296 25.9059 25.9059 26.4557 26.4557 k = 0.3571 0.3265 0.2960 ( 1426 PWs) bands (ev): -10.4191 -10.4191 -6.7834 -6.7834 -5.8569 -5.8569 -5.5385 -5.5385 -0.5389 -0.5389 2.8241 2.8241 3.4719 3.4719 5.0422 5.0422 7.7553 7.7553 8.2822 8.2822 8.9178 8.9178 9.1937 9.1937 10.5375 10.5375 11.3542 11.3542 11.8490 11.8490 12.3228 12.3228 21.1399 21.1399 24.3909 24.3909 25.8990 25.8990 26.4504 26.4504 k = 0.3651 0.3265 0.2960 ( 1426 PWs) bands (ev): -10.3666 -10.3666 -6.7478 -6.7478 -5.8505 -5.8505 -5.5112 -5.5112 -0.6251 -0.6251 2.7327 2.7327 3.4371 3.4371 4.9875 4.9875 7.7564 7.7564 8.3100 8.3100 8.9488 8.9488 9.1661 9.1661 10.5609 10.5609 11.3492 11.3492 11.8378 11.8378 12.3335 12.3335 21.0896 21.0896 24.3539 24.3539 25.8934 25.8934 26.4341 26.4341 k = 0.3730 0.3265 0.2960 ( 1430 PWs) bands (ev): -10.3152 -10.3152 -6.7134 -6.7134 -5.8456 -5.8456 -5.4848 -5.4848 -0.7065 -0.7065 2.6453 2.6453 3.4029 3.4029 4.9341 4.9341 7.7588 7.7588 8.3364 8.3364 8.9792 8.9792 9.1407 9.1407 10.5834 10.5834 11.3436 11.3436 11.8266 11.8266 12.3435 12.3435 21.0405 21.0405 24.3188 24.3188 25.8892 25.8892 26.4102 26.4102 k = 0.3810 0.3265 0.2960 ( 1430 PWs) bands (ev): -10.2653 -10.2653 -6.6800 -6.6800 -5.8421 -5.8421 -5.4595 -5.4595 -0.7829 -0.7829 2.5621 2.5621 3.3695 3.3695 4.8823 4.8823 7.7625 7.7625 8.3615 8.3615 9.0087 9.0087 9.1175 9.1175 10.6049 10.6049 11.3375 11.3375 11.8153 11.8153 12.3531 12.3531 20.9927 20.9927 24.2857 24.2857 25.8867 25.8867 26.3815 26.3815 k = 0.3889 0.3265 0.2960 ( 1436 PWs) bands (ev): -10.2169 -10.2169 -6.6481 -6.6481 -5.8400 -5.8400 -5.4354 -5.4354 -0.8543 -0.8543 2.4833 2.4833 3.3369 3.3369 4.8324 4.8324 7.7672 7.7672 8.3851 8.3851 9.0373 9.0373 9.0963 9.0963 10.6255 10.6255 11.3310 11.3310 11.8041 11.8041 12.3620 12.3620 20.9468 20.9468 24.2547 24.2547 25.8860 25.8860 26.3500 26.3500 k = 0.3968 0.3265 0.2960 ( 1438 PWs) bands (ev): -10.1704 -10.1704 -6.6175 -6.6175 -5.8392 -5.8392 -5.4124 -5.4124 -0.9206 -0.9206 2.4091 2.4091 3.3056 3.3056 4.7846 4.7846 7.7726 7.7726 8.4073 8.4073 9.0644 9.0644 9.0773 9.0773 10.6451 10.6451 11.3242 11.3242 11.7931 11.7931 12.3704 12.3704 20.9030 20.9030 24.2258 24.2258 25.8873 25.8873 26.3174 26.3174 k = 0.4048 0.3265 0.2960 ( 1436 PWs) bands (ev): -10.1259 -10.1259 -6.5886 -6.5886 -5.8395 -5.8395 -5.3908 -5.3908 -0.9817 -0.9817 2.3396 2.3396 3.2756 3.2756 4.7393 4.7393 7.7785 7.7785 8.4281 8.4281 9.0594 9.0594 9.0912 9.0912 10.6635 10.6635 11.3173 11.3173 11.7825 11.7825 12.3782 12.3782 20.8615 20.8615 24.1991 24.1991 25.8907 25.8907 26.2846 26.2846 k = 0.4127 0.3265 0.2960 ( 1436 PWs) bands (ev): -10.0838 -10.0838 -6.5613 -6.5613 -5.8408 -5.8408 -5.3706 -5.3706 -1.0378 -1.0378 2.2751 2.2751 3.2472 3.2472 4.6967 4.6967 7.7847 7.7847 8.4473 8.4473 9.0439 9.0439 9.1159 9.1159 10.6807 10.6807 11.3103 11.3103 11.7723 11.7723 12.3853 12.3853 20.8226 20.8226 24.1745 24.1745 25.8962 25.8962 26.2526 26.2526 k = 0.4206 0.3265 0.2960 ( 1438 PWs) bands (ev): -10.0443 -10.0443 -6.5359 -6.5359 -5.8429 -5.8429 -5.3518 -5.3518 -1.0888 -1.0888 2.2155 2.2155 3.2206 3.2206 4.6570 4.6570 7.7910 7.7910 8.4650 8.4650 9.0300 9.0300 9.1392 9.1392 10.6967 10.6967 11.3033 11.3033 11.7625 11.7625 12.3919 12.3919 20.7865 20.7865 24.1521 24.1521 25.9040 25.9040 26.2220 26.2220 k = 0.4286 0.3265 0.2960 ( 1438 PWs) bands (ev): -10.0076 -10.0076 -6.5125 -6.5125 -5.8456 -5.8456 -5.3346 -5.3346 -1.1348 -1.1348 2.1611 2.1611 3.1958 3.1958 4.6205 4.6205 7.7972 7.7972 8.4811 8.4811 9.0177 9.0177 9.1608 9.1608 10.7113 10.7113 11.2965 11.2965 11.7534 11.7534 12.3978 12.3978 20.7534 20.7534 24.1319 24.1319 25.9138 25.9138 26.1933 26.1933 k = 0.4365 0.3265 0.2960 ( 1438 PWs) bands (ev): -9.9739 -9.9739 -6.4913 -6.4913 -5.8488 -5.8488 -5.3190 -5.3190 -1.1756 -1.1756 2.1121 2.1121 3.1732 3.1732 4.5874 4.5874 7.8032 7.8032 8.4956 8.4956 9.0069 9.0069 9.1805 9.1805 10.7246 10.7246 11.2901 11.2901 11.7450 11.7450 12.4031 12.4031 20.7233 20.7233 24.1138 24.1138 25.9258 25.9258 26.1668 26.1668 k = 0.4444 0.3265 0.2960 ( 1442 PWs) bands (ev): -9.9436 -9.9436 -6.4722 -6.4722 -5.8522 -5.8522 -5.3050 -5.3050 -1.2115 -1.2115 2.0685 2.0685 3.1528 3.1528 4.5577 4.5577 7.8088 7.8088 8.5084 8.5084 8.9976 8.9976 9.1983 9.1983 10.7364 10.7364 11.2840 11.2840 11.7373 11.7373 12.4077 12.4077 20.6965 20.6965 24.0979 24.0979 25.9396 25.9396 26.1428 26.1428 k = 0.4524 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.9168 -9.9168 -6.4554 -6.4554 -5.8557 -5.8557 -5.2928 -5.2928 -1.2425 -1.2425 2.0305 2.0305 3.1349 3.1349 4.5317 4.5317 7.8140 7.8140 8.5196 8.5196 8.9897 8.9897 9.2141 9.2141 10.7468 10.7468 11.2785 11.2785 11.7305 11.7305 12.4118 12.4118 20.6730 20.6730 24.0842 24.0842 25.9549 25.9549 26.1217 26.1217 k = 0.4603 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8937 -9.8937 -6.4411 -6.4411 -5.8590 -5.8590 -5.2824 -5.2824 -1.2686 -1.2686 1.9981 1.9981 3.1194 3.1194 4.5095 4.5095 7.8185 7.8185 8.5291 8.5291 8.9831 8.9831 9.2276 9.2276 10.7556 10.7556 11.2737 11.2737 11.7246 11.7246 12.4152 12.4152 20.6530 20.6530 24.0726 24.0726 25.9714 25.9714 26.1035 26.1035 k = 0.4683 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8746 -9.8746 -6.4292 -6.4292 -5.8620 -5.8620 -5.2739 -5.2739 -1.2898 -1.2898 1.9715 1.9715 3.1067 3.1067 4.4911 4.4911 7.8223 7.8223 8.5369 8.5369 8.9778 8.9778 9.2388 9.2388 10.7629 10.7629 11.2696 11.2696 11.7197 11.7197 12.4180 12.4180 20.6365 20.6365 24.0632 24.0632 25.9882 25.9882 26.0885 26.0885 k = 0.4762 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8595 -9.8595 -6.4199 -6.4199 -5.8645 -5.8645 -5.2672 -5.2672 -1.3063 -1.3063 1.9508 1.9508 3.0966 3.0966 4.4768 4.4768 7.8254 7.8254 8.5430 8.5430 8.9737 8.9737 9.2476 9.2476 10.7686 10.7686 11.2663 11.2663 11.7159 11.7159 12.4202 12.4202 20.6237 20.6237 24.0558 24.0558 26.0042 26.0042 26.0767 26.0767 k = 0.4841 0.3265 0.2960 ( 1442 PWs) bands (ev): -9.8487 -9.8487 -6.4132 -6.4132 -5.8664 -5.8664 -5.2623 -5.2623 -1.3181 -1.3181 1.9359 1.9359 3.0894 3.0894 4.4665 4.4665 7.8276 7.8276 8.5474 8.5474 8.9707 8.9707 9.2539 9.2539 10.7727 10.7727 11.2640 11.2640 11.7131 11.7131 12.4218 12.4218 20.6144 20.6144 24.0506 24.0506 26.0178 26.0178 26.0682 26.0682 k = 0.4921 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8421 -9.8421 -6.4092 -6.4092 -5.8676 -5.8676 -5.2594 -5.2594 -1.3251 -1.3251 1.9270 1.9270 3.0851 3.0851 4.4603 4.4603 7.8290 7.8290 8.5500 8.5500 8.9690 8.9690 9.2578 9.2578 10.7752 10.7752 11.2625 11.2625 11.7114 11.7114 12.4227 12.4227 20.6088 20.6088 24.0475 24.0475 26.0273 26.0273 26.0631 26.0631 k = 0.5000 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8399 -9.8399 -6.4078 -6.4078 -5.8679 -5.8679 -5.2585 -5.2585 -1.3274 -1.3274 1.9240 1.9240 3.0836 3.0836 4.4582 4.4582 7.8294 7.8294 8.5509 8.5509 8.9684 8.9684 9.2590 9.2590 10.7760 10.7760 11.2620 11.2620 11.7108 11.7108 12.4230 12.4230 20.6070 20.6070 24.0464 24.0464 26.0306 26.0306 26.0614 26.0614 k = 0.5000 0.3265 0.2960 ( 1440 PWs) bands (ev): -9.8399 -9.8399 -6.4078 -6.4078 -5.8679 -5.8679 -5.2585 -5.2585 -1.3274 -1.3274 1.9240 1.9240 3.0836 3.0836 4.4582 4.4582 7.8294 7.8294 8.5509 8.5509 8.9684 8.9684 9.2590 9.2590 10.7760 10.7760 11.2620 11.2620 11.7108 11.7108 12.4230 12.4230 20.6070 20.6070 24.0464 24.0464 26.0306 26.0306 26.0614 26.0614 k = 0.5000 0.3310 0.2910 ( 1442 PWs) bands (ev): -9.8400 -9.8400 -6.4079 -6.4079 -5.8687 -5.8687 -5.2582 -5.2582 -1.3268 -1.3268 1.9250 1.9250 3.0850 3.0850 4.4589 4.4589 7.8291 7.8291 8.5501 8.5501 8.9488 8.9488 9.2770 9.2770 10.7751 10.7751 11.2608 11.2608 11.7106 11.7106 12.4221 12.4221 20.6077 20.6077 24.0475 24.0475 26.0284 26.0284 26.0611 26.0611 k = 0.5000 0.3354 0.2861 ( 1442 PWs) bands (ev): -9.8401 -9.8401 -6.4082 -6.4082 -5.8708 -5.8708 -5.2572 -5.2572 -1.3250 -1.3250 1.9280 1.9280 3.0892 3.0892 4.4610 4.4610 7.8283 7.8283 8.5480 8.5480 8.8997 8.8997 9.3209 9.3209 10.7725 10.7725 11.2571 11.2571 11.7098 11.7098 12.4194 12.4194 20.6099 20.6099 24.0509 24.0509 26.0220 26.0220 26.0602 26.0602 k = 0.5000 0.3399 0.2811 ( 1442 PWs) bands (ev): -9.8404 -9.8404 -6.4087 -6.4087 -5.8743 -5.8743 -5.2555 -5.2555 -1.3220 -1.3220 1.9330 1.9330 3.0963 3.0963 4.4644 4.4644 7.8268 7.8268 8.5443 8.5443 8.8353 8.8353 9.3767 9.3767 10.7683 10.7683 11.2510 11.2510 11.7086 11.7086 12.4149 12.4149 20.6136 20.6136 24.0566 24.0566 26.0118 26.0118 26.0588 26.0588 k = 0.5000 0.3399 0.2811 ( 1442 PWs) bands (ev): -9.8404 -9.8404 -6.4087 -6.4087 -5.8743 -5.8743 -5.2555 -5.2555 -1.3220 -1.3220 1.9330 1.9330 3.0963 3.0963 4.4644 4.4644 7.8268 7.8268 8.5443 8.5443 8.8353 8.8353 9.3767 9.3767 10.7683 10.7683 11.2510 11.2510 11.7086 11.7086 12.4149 12.4149 20.6136 20.6136 24.0566 24.0566 26.0118 26.0118 26.0588 26.0588 k = 0.5000 0.3396 0.2733 ( 1442 PWs) bands (ev): -9.8406 -9.8406 -6.4093 -6.4093 -5.8780 -5.8780 -5.2546 -5.2546 -1.3164 -1.3164 1.9382 1.9382 3.1046 3.1046 4.4691 4.4691 7.8112 7.8112 8.5515 8.5515 8.7754 8.7754 9.4254 9.4254 10.7615 10.7615 11.2399 11.2399 11.7079 11.7079 12.4134 12.4134 20.6225 20.6225 24.0723 24.0723 26.0011 26.0011 26.0483 26.0483 k = 0.5000 0.3392 0.2655 ( 1442 PWs) bands (ev): -9.8410 -9.8410 -6.4100 -6.4100 -5.8819 -5.8819 -5.2551 -5.2551 -1.3066 -1.3066 1.9451 1.9451 3.1145 3.1145 4.4769 4.4769 7.7768 7.7768 8.5736 8.5736 8.7115 8.7115 9.4740 9.4740 10.7519 10.7519 11.2240 11.2240 11.7061 11.7061 12.4124 12.4124 20.6350 20.6350 24.0920 24.0920 25.9895 25.9895 26.0286 26.0286 k = 0.5000 0.3389 0.2578 ( 1442 PWs) bands (ev): -9.8415 -9.8415 -6.4107 -6.4107 -5.8862 -5.8862 -5.2572 -5.2572 -1.2927 -1.2927 1.9536 1.9536 3.1262 3.1262 4.4877 4.4877 7.7272 7.7272 8.6065 8.6065 8.6453 8.6453 9.5213 9.5213 10.7397 10.7397 11.2037 11.2037 11.7033 11.7033 12.4118 12.4118 20.6509 20.6509 24.1156 24.1156 25.9789 25.9789 26.0030 26.0030 k = 0.5000 0.3385 0.2500 ( 1442 PWs) bands (ev): -9.8422 -9.8422 -6.4114 -6.4114 -5.8908 -5.8908 -5.2608 -5.2608 -1.2747 -1.2747 1.9636 1.9636 3.1395 3.1395 4.5014 4.5014 7.6660 7.6660 8.5755 8.5755 8.6486 8.6486 9.5664 9.5664 10.7252 10.7252 11.1793 11.1793 11.6993 11.6993 12.4115 12.4115 20.6703 20.6703 24.1426 24.1426 25.9700 25.9700 25.9744 25.9744 k = 0.5000 0.3381 0.2422 ( 1438 PWs) bands (ev): -9.8431 -9.8431 -6.4121 -6.4121 -5.8956 -5.8956 -5.2657 -5.2657 -1.2528 -1.2528 1.9750 1.9750 3.1544 3.1544 4.5181 4.5181 7.5964 7.5964 8.5054 8.5054 8.6938 8.6938 9.6085 9.6085 10.7088 10.7088 11.1511 11.1511 11.6944 11.6944 12.4115 12.4115 20.6931 20.6931 24.1727 24.1727 25.9427 25.9427 25.9655 25.9655 k = 0.5000 0.3378 0.2344 ( 1438 PWs) bands (ev): -9.8442 -9.8442 -6.4128 -6.4128 -5.9006 -5.9006 -5.2720 -5.2720 -1.2271 -1.2271 1.9878 1.9878 3.1711 3.1711 4.5375 4.5375 7.5209 7.5209 8.4340 8.4340 8.7412 8.7412 9.6469 9.6469 10.6912 10.6912 11.1197 11.1197 11.6884 11.6884 12.4116 12.4116 20.7193 20.7193 24.2053 24.2053 25.9110 25.9110 25.9637 25.9637 k = 0.5000 0.3374 0.2266 ( 1440 PWs) bands (ev): -9.8454 -9.8454 -6.4135 -6.4135 -5.9059 -5.9059 -5.2795 -5.2795 -1.1976 -1.1976 2.0019 2.0019 3.1894 3.1894 4.5596 4.5596 7.4410 7.4410 8.3616 8.3616 8.7889 8.7889 9.6809 9.6809 10.6729 10.6729 11.0856 11.0856 11.6814 11.6814 12.4117 12.4117 20.7488 20.7488 24.2398 24.2398 25.8792 25.8792 25.9657 25.9657 k = 0.5000 0.3371 0.2188 ( 1440 PWs) bands (ev): -9.8467 -9.8467 -6.4143 -6.4143 -5.9113 -5.9113 -5.2882 -5.2882 -1.1646 -1.1646 2.0172 2.0172 3.2094 3.2094 4.5842 4.5842 7.3580 7.3580 8.2887 8.2887 8.8356 8.8356 9.7096 9.7096 10.6548 10.6548 11.0493 11.0493 11.6735 11.6735 12.4118 12.4118 20.7815 20.7815 24.2755 24.2755 25.8477 25.8477 25.9717 25.9717 k = 0.5000 0.3367 0.2110 ( 1438 PWs) bands (ev): -9.8482 -9.8482 -6.4150 -6.4150 -5.9169 -5.9169 -5.2980 -5.2980 -1.1282 -1.1282 2.0334 2.0334 3.2311 3.2311 4.6110 4.6110 7.2728 7.2728 8.2155 8.2155 8.8804 8.8804 9.7323 9.7323 10.6379 10.6379 11.0113 11.0113 11.6648 11.6648 12.4118 12.4118 20.8174 20.8174 24.3117 24.3117 25.8170 25.8170 25.9813 25.9813 k = 0.5000 0.3364 0.2032 ( 1434 PWs) bands (ev): -9.8498 -9.8498 -6.4158 -6.4158 -5.9227 -5.9227 -5.3087 -5.3087 -1.0885 -1.0885 2.0506 2.0506 3.2545 3.2545 4.6399 4.6399 7.1861 7.1861 8.1422 8.1422 8.9225 8.9225 9.7479 9.7479 10.6231 10.6231 10.9724 10.9724 11.6551 11.6551 12.4116 12.4116 20.8565 20.8565 24.3475 24.3475 25.7874 25.7874 25.9944 25.9944 k = 0.5000 0.3360 0.1955 ( 1432 PWs) bands (ev): -9.8515 -9.8515 -6.4165 -6.4165 -5.9285 -5.9285 -5.3202 -5.3202 -1.0458 -1.0458 2.0686 2.0686 3.2796 3.2796 4.6707 4.6707 7.0986 7.0986 8.0691 8.0691 8.9612 8.9612 9.7555 9.7555 10.6115 10.6115 10.9331 10.9331 11.6447 11.6447 12.4111 12.4111 20.8987 20.8987 24.3819 24.3819 25.7594 25.7594 26.0107 26.0107 k = 0.5000 0.3357 0.1877 ( 1434 PWs) bands (ev): -9.8533 -9.8533 -6.4172 -6.4172 -5.9344 -5.9344 -5.3325 -5.3325 -1.0004 -1.0004 2.0871 2.0871 3.3064 3.3064 4.7031 4.7031 7.0106 7.0106 7.9966 7.9966 8.9959 8.9959 9.7545 9.7545 10.6039 10.6039 10.8940 10.8940 11.6335 11.6335 12.4103 12.4103 20.9438 20.9438 24.4137 24.4137 25.7333 25.7333 26.0297 26.0297 k = 0.5000 0.3353 0.1799 ( 1434 PWs) bands (ev): -9.8552 -9.8552 -6.4180 -6.4180 -5.9404 -5.9404 -5.3454 -5.3454 -0.9523 -0.9523 2.1060 2.1060 3.3350 3.3350 4.7367 4.7367 6.9226 6.9226 7.9250 7.9250 9.0263 9.0263 9.7442 9.7442 10.6009 10.6009 10.8559 10.8559 11.6215 11.6215 12.4091 12.4091 20.9918 20.9918 24.4418 24.4418 25.7099 25.7099 26.0509 26.0509 k = 0.5000 0.3350 0.1721 ( 1432 PWs) bands (ev): -9.8572 -9.8572 -6.4187 -6.4187 -5.9465 -5.9465 -5.3587 -5.3587 -0.9018 -0.9018 2.1252 2.1252 3.3652 3.3652 4.7713 4.7713 6.8350 6.8350 7.8546 7.8546 9.0517 9.0517 9.7248 9.7248 10.6029 10.6029 10.8193 10.8193 11.6090 11.6090 12.4077 12.4077 21.0427 21.0427 24.4648 24.4648 25.6898 25.6898 26.0734 26.0734 k = 0.5000 0.3346 0.1643 ( 1426 PWs) bands (ev): -9.8592 -9.8592 -6.4194 -6.4194 -5.9525 -5.9525 -5.3725 -5.3725 -0.8492 -0.8492 2.1445 2.1445 3.3972 3.3972 4.8065 4.8065 6.7482 6.7482 7.7857 7.7857 9.0720 9.0720 9.6964 9.6964 10.6098 10.6098 10.7849 10.7849 11.5957 11.5957 12.4059 12.4059 21.0964 21.0964 24.4815 24.4815 25.6738 25.6738 26.0967 26.0967 k = 0.5000 0.3343 0.1565 ( 1426 PWs) bands (ev): -9.8613 -9.8613 -6.4201 -6.4201 -5.9585 -5.9585 -5.3865 -5.3865 -0.7947 -0.7947 2.1636 2.1636 3.4309 3.4309 4.8418 4.8418 6.6626 6.6626 7.7189 7.7189 9.0868 9.0868 9.6597 9.6597 10.6212 10.6212 10.7532 10.7532 11.5819 11.5819 12.4037 12.4037 21.1527 21.1527 24.4907 24.4907 25.6625 25.6625 26.1198 26.1198 k = 0.5000 0.3339 0.1487 ( 1426 PWs) bands (ev): -9.8634 -9.8634 -6.4208 -6.4208 -5.9645 -5.9645 -5.4006 -5.4006 -0.7386 -0.7386 2.1823 2.1823 3.4662 3.4662 4.8769 4.8769 6.5783 6.5783 7.6545 7.6545 9.0959 9.0959 9.6154 9.6154 10.6363 10.6363 10.7246 10.7246 11.5675 11.5675 12.4013 12.4013 21.2116 21.2116 24.4912 24.4912 25.6566 25.6566 26.1418 26.1418 k = 0.5000 0.3335 0.1409 ( 1426 PWs) bands (ev): -9.8656 -9.8656 -6.4215 -6.4215 -5.9704 -5.9704 -5.4148 -5.4148 -0.6812 -0.6812 2.2006 2.2006 3.5032 3.5032 4.9112 4.9112 6.4959 6.4959 7.5930 7.5930 9.0994 9.0994 9.5646 9.5646 10.6547 10.6547 10.6995 10.6995 11.5526 11.5526 12.3986 12.3986 21.2730 21.2730 24.4825 24.4825 25.6564 25.6564 26.1619 26.1619 k = 0.5000 0.3332 0.1332 ( 1424 PWs) bands (ev): -9.8677 -9.8677 -6.4222 -6.4222 -5.9762 -5.9762 -5.4289 -5.4289 -0.6227 -0.6227 2.2180 2.2180 3.5417 3.5417 4.9442 4.9442 6.4156 6.4156 7.5349 7.5349 9.0972 9.0972 9.5082 9.5082 10.6741 10.6741 10.6797 10.6797 11.5371 11.5371 12.3956 12.3956 21.3369 21.3369 24.4642 24.4642 25.6618 25.6618 26.1796 26.1796 k = 0.5000 0.3328 0.1254 ( 1432 PWs) bands (ev): -9.8699 -9.8699 -6.4228 -6.4228 -5.9819 -5.9819 -5.4429 -5.4429 -0.5634 -0.5634 2.2346 2.2346 3.5817 3.5817 4.9753 4.9753 6.3377 6.3377 7.4809 7.4809 9.0897 9.0897 9.4470 9.4470 10.6600 10.6600 10.6989 10.6989 11.5211 11.5211 12.3925 12.3925 21.4030 21.4030 24.4362 24.4362 25.6727 25.6727 26.1943 26.1943 k = 0.5000 0.3325 0.1176 ( 1436 PWs) bands (ev): -9.8720 -9.8720 -6.4235 -6.4235 -5.9874 -5.9874 -5.4566 -5.4566 -0.5037 -0.5037 2.2500 2.2500 3.6232 3.6232 5.0039 5.0039 6.2626 6.2626 7.4314 7.4314 9.0773 9.0773 9.3818 9.3818 10.6460 10.6460 10.7233 10.7233 11.5047 11.5047 12.3891 12.3891 21.4714 21.4714 24.3991 24.3991 25.6883 25.6883 26.2060 26.2060 k = 0.5000 0.3321 0.1098 ( 1436 PWs) bands (ev): -9.8741 -9.8741 -6.4241 -6.4241 -5.9927 -5.9927 -5.4700 -5.4700 -0.4439 -0.4439 2.2640 2.2640 3.6661 3.6661 5.0294 5.0294 6.1905 6.1905 7.3870 7.3870 9.0604 9.0604 9.3135 9.3135 10.6355 10.6355 10.7488 10.7488 11.4878 11.4878 12.3857 12.3857 21.5419 21.5419 24.3536 24.3536 25.7080 25.7080 26.2146 26.2146 k = 0.5000 0.3318 0.1020 ( 1442 PWs) bands (ev): -9.8761 -9.8761 -6.4247 -6.4247 -5.9978 -5.9978 -5.4829 -5.4829 -0.3843 -0.3843 2.2767 2.2767 3.7101 3.7101 5.0513 5.0513 6.1217 6.1217 7.3484 7.3484 9.0397 9.0397 9.2425 9.2425 10.6282 10.6282 10.7750 10.7750 11.4704 11.4704 12.3821 12.3821 21.6144 21.6144 24.3006 24.3006 25.7308 25.7308 26.2205 26.2205 k = 0.5000 0.3314 0.0942 ( 1444 PWs) bands (ev): -9.8781 -9.8781 -6.4252 -6.4252 -6.0028 -6.0028 -5.4954 -5.4954 -0.3253 -0.3253 2.2877 2.2877 3.7553 3.7553 5.0690 5.0690 6.0564 6.0564 7.3160 7.3160 9.0159 9.0159 9.1697 9.1697 10.6237 10.6237 10.8017 10.8017 11.4526 11.4526 12.3785 12.3785 21.6888 21.6888 24.2409 24.2409 25.7559 25.7559 26.2240 26.2240 k = 0.5000 0.3311 0.0864 ( 1446 PWs) bands (ev): -9.8800 -9.8800 -6.4258 -6.4258 -6.0074 -6.0074 -5.5073 -5.5073 -0.2674 -0.2674 2.2971 2.2971 3.8014 3.8014 5.0819 5.0819 5.9950 5.9950 7.2902 7.2902 8.9897 8.9897 9.0957 9.0957 10.6216 10.6216 10.8287 10.8287 11.4344 11.4344 12.3750 12.3750 21.7649 21.7649 24.1755 24.1755 25.7823 25.7823 26.2255 26.2255 k = 0.5000 0.3307 0.0786 ( 1442 PWs) bands (ev): -9.8818 -9.8818 -6.4263 -6.4263 -6.0118 -6.0118 -5.5185 -5.5185 -0.2109 -0.2109 2.3048 2.3048 3.8482 3.8482 5.0898 5.0898 5.9376 5.9376 7.2713 7.2713 8.9620 8.9620 9.0210 9.0210 10.6215 10.6215 10.8557 10.8557 11.4159 11.4159 12.3715 12.3715 21.8425 21.8425 24.1053 24.1053 25.8094 25.8094 26.2256 26.2256 k = 0.5000 0.3304 0.0708 ( 1442 PWs) bands (ev): -9.8835 -9.8835 -6.4267 -6.4267 -6.0160 -6.0160 -5.5291 -5.5291 -0.1563 -0.1563 2.3108 2.3108 3.8955 3.8955 5.0925 5.0925 5.8844 5.8844 7.2594 7.2594 8.9331 8.9331 8.9465 8.9465 10.6230 10.6230 10.8828 10.8828 11.3969 11.3969 12.3681 12.3681 21.9215 21.9215 24.0311 24.0311 25.8364 25.8364 26.2244 26.2244 k = 0.5000 0.3300 0.0631 ( 1440 PWs) bands (ev): -9.8851 -9.8851 -6.4272 -6.4272 -6.0198 -6.0198 -5.5389 -5.5389 -0.1040 -0.1040 2.3151 2.3151 3.9429 3.9429 5.0899 5.0899 5.8357 5.8357 7.2543 7.2543 8.8718 8.8718 8.9050 8.9050 10.6256 10.6256 10.9097 10.9097 11.3775 11.3775 12.3648 12.3648 22.0015 22.0015 23.9538 23.9538 25.8628 25.8628 26.2225 26.2225 k = 0.5000 0.3297 0.0553 ( 1442 PWs) bands (ev): -9.8865 -9.8865 -6.4276 -6.4276 -6.0233 -6.0233 -5.5480 -5.5480 -0.0545 -0.0545 2.3179 2.3179 3.9901 3.9901 5.0824 5.0824 5.7914 5.7914 7.2558 7.2558 8.7991 8.7991 8.8768 8.8768 10.6291 10.6291 10.9365 10.9365 11.3577 11.3577 12.3617 12.3617 22.0823 22.0823 23.8742 23.8742 25.8880 25.8880 26.2201 26.2201 k = 0.5000 0.3293 0.0475 ( 1440 PWs) bands (ev): -9.8879 -9.8879 -6.4279 -6.4279 -6.0265 -6.0265 -5.5562 -5.5562 -0.0084 -0.0084 2.3193 2.3193 4.0366 4.0366 5.0705 5.0705 5.7517 5.7517 7.2632 7.2632 8.7285 8.7285 8.8499 8.8499 10.6330 10.6330 10.9630 10.9630 11.3376 11.3376 12.3589 12.3589 22.1635 22.1635 23.7930 23.7930 25.9117 25.9117 26.2174 26.2174 k = 0.5000 0.3289 0.0397 ( 1440 PWs) bands (ev): -9.8891 -9.8891 -6.4282 -6.4282 -6.0293 -6.0293 -5.5635 -5.5635 0.0339 0.0339 2.3196 2.3196 4.0818 4.0818 5.0547 5.0547 5.7167 5.7167 7.2755 7.2755 8.6611 8.6611 8.8248 8.8248 10.6370 10.6370 10.9892 10.9892 11.3171 11.3171 12.3563 12.3563 22.2444 22.2444 23.7113 23.7113 25.9334 25.9334 26.2146 26.2146 k = 0.5000 0.3286 0.0319 ( 1440 PWs) bands (ev): -9.8901 -9.8901 -6.4285 -6.4285 -6.0318 -6.0318 -5.5699 -5.5699 0.0719 0.0719 2.3190 2.3190 4.1249 4.1249 5.0363 5.0363 5.6864 5.6864 7.2915 7.2915 8.5978 8.5978 8.8020 8.8020 10.6411 10.6411 11.0151 11.0151 11.2962 11.2962 12.3540 12.3540 22.3244 22.3244 23.6301 23.6301 25.9528 25.9528 26.2120 26.2120 k = 0.5000 0.3282 0.0241 ( 1442 PWs) bands (ev): -9.8911 -9.8911 -6.4288 -6.4288 -6.0340 -6.0340 -5.5754 -5.5754 0.1051 0.1051 2.3178 2.3178 4.1650 4.1650 5.0163 5.0163 5.6608 5.6608 7.3099 7.3099 8.5400 8.5400 8.7819 8.7819 10.6448 10.6448 11.0406 11.0406 11.2749 11.2749 12.3520 12.3520 22.4022 22.4022 23.5509 23.5509 25.9697 25.9697 26.2095 26.2095 k = 0.5000 0.3279 0.0163 ( 1446 PWs) bands (ev): -9.8918 -9.8918 -6.4290 -6.4290 -6.0357 -6.0357 -5.5799 -5.5799 0.1329 0.1329 2.3163 2.3163 4.2010 4.2010 4.9962 4.9962 5.6399 5.6399 7.3288 7.3288 8.4892 8.4892 8.7649 8.7649 10.6481 10.6481 11.0658 11.0658 11.2532 11.2532 12.3503 12.3503 22.4760 22.4760 23.4756 23.4756 25.9838 25.9838 26.2074 26.2074 k = 0.5000 0.3275 0.0085 ( 1442 PWs) bands (ev): -9.8924 -9.8924 -6.4291 -6.4291 -6.0371 -6.0371 -5.5835 -5.5835 0.1550 0.1550 2.3148 2.3148 4.2314 4.2314 4.9778 4.9778 5.6237 5.6237 7.3464 7.3464 8.4471 8.4471 8.7514 8.7514 10.6508 10.6508 11.0906 11.0906 11.2311 11.2311 12.3490 12.3490 22.5430 22.5430 23.4073 23.4073 25.9949 25.9949 26.2057 26.2057 k = 0.5000 0.3272 0.0008 ( 1444 PWs) bands (ev): -9.8928 -9.8928 -6.4292 -6.4292 -6.0381 -6.0381 -5.5860 -5.5860 0.1711 0.1711 2.3135 2.3135 4.2548 4.2548 4.9629 4.9629 5.6122 5.6122 7.3609 7.3609 8.4153 8.4153 8.7415 8.7415 10.6528 10.6528 11.1150 11.1150 11.2087 11.2087 12.3480 12.3480 22.5987 22.5987 23.3505 23.3505 26.0030 26.0030 26.2044 26.2044 k = 0.5000 0.3268-0.0070 ( 1440 PWs) bands (ev): -9.8931 -9.8931 -6.4293 -6.4293 -6.0386 -6.0386 -5.5875 -5.5875 0.1809 0.1809 2.3127 2.3127 4.2695 4.2695 4.9531 4.9531 5.6052 5.6052 7.3704 7.3704 8.3955 8.3955 8.7356 8.7356 10.6540 10.6540 11.1390 11.1390 11.1859 11.1859 12.3474 12.3474 22.6368 22.6368 23.3118 23.3118 26.0079 26.0079 26.2036 26.2036 k = 0.5000 0.3265-0.0148 ( 1444 PWs) bands (ev): -9.8932 -9.8932 -6.4293 -6.4293 -6.0388 -6.0388 -5.5880 -5.5880 0.1842 0.1842 2.3124 2.3124 4.2746 4.2746 4.9497 4.9497 5.6029 5.6029 7.3737 7.3737 8.3887 8.3887 8.7336 8.7336 10.6544 10.6544 11.1616 11.1616 11.1636 11.1636 12.3472 12.3472 22.6506 22.6506 23.2978 23.2978 26.0095 26.0095 26.2033 26.2033 k = 0.5000 0.3265-0.0148 ( 1444 PWs) bands (ev): -9.8932 -9.8932 -6.4293 -6.4293 -6.0388 -6.0388 -5.5880 -5.5880 0.1842 0.1842 2.3124 2.3124 4.2746 4.2746 4.9497 4.9497 5.6029 5.6029 7.3737 7.3737 8.3887 8.3887 8.7336 8.7336 10.6544 10.6544 11.1616 11.1616 11.1636 11.1636 12.3472 12.3472 22.6506 22.6506 23.2978 23.2978 26.0095 26.0095 26.2033 26.2033 k = 0.4921 0.3265-0.0148 ( 1442 PWs) bands (ev): -9.8958 -9.8958 -6.4316 -6.4316 -6.0367 -6.0367 -5.5878 -5.5878 0.1856 0.1856 2.3147 2.3147 4.2733 4.2733 4.9515 4.9515 5.6010 5.6010 7.3747 7.3747 8.3917 8.3917 8.7355 8.7355 10.6523 10.6523 11.1630 11.1630 11.1637 11.1637 12.3470 12.3470 22.6519 22.6519 23.2984 23.2984 26.0083 26.0083 26.2040 26.2040 k = 0.4841 0.3265-0.0148 ( 1444 PWs) bands (ev): -9.9035 -9.9035 -6.4385 -6.4385 -6.0302 -6.0302 -5.5871 -5.5871 0.1901 0.1901 2.3216 2.3216 4.2694 4.2694 4.9569 4.9569 5.5951 5.5951 7.3777 7.3777 8.4004 8.4004 8.7411 8.7411 10.6462 10.6462 11.1618 11.1618 11.1690 11.1690 12.3464 12.3464 22.6558 22.6558 23.3002 23.3002 26.0047 26.0047 26.2061 26.2061 k = 0.4762 0.3265-0.0148 ( 1444 PWs) bands (ev): -9.9164 -9.9164 -6.4497 -6.4497 -6.0196 -6.0196 -5.5860 -5.5860 0.1975 0.1975 2.3331 2.3331 4.2628 4.2628 4.9658 4.9658 5.5858 5.5858 7.3828 7.3828 8.4148 8.4148 8.7504 8.7504 10.6362 10.6362 11.1596 11.1596 11.1780 11.1780 12.3453 12.3453 22.6623 22.6623 23.3033 23.3033 25.9987 25.9987 26.2095 26.2095 k = 0.4683 0.3265-0.0148 ( 1438 PWs) bands (ev): -9.9341 -9.9341 -6.4653 -6.4653 -6.0049 -6.0049 -5.5846 -5.5846 0.2080 0.2080 2.3491 2.3491 4.2537 4.2537 4.9776 4.9776 5.5735 5.5735 7.3900 7.3900 8.4347 8.4347 8.7632 8.7632 10.6229 10.6229 11.1565 11.1565 11.1900 11.1900 12.3438 12.3438 22.6714 22.6714 23.3077 23.3077 25.9903 25.9903 26.2143 26.2143 k = 0.4603 0.3265-0.0148 ( 1436 PWs) bands (ev): -9.9566 -9.9566 -6.4848 -6.4848 -5.9864 -5.9864 -5.5832 -5.5832 0.2215 0.2215 2.3697 2.3697 4.2421 4.2421 4.9919 4.9919 5.5591 5.5591 7.3994 7.3994 8.4597 8.4597 8.7795 8.7795 10.6066 10.6066 11.1527 11.1527 11.2045 11.2045 12.3419 12.3419 22.6831 22.6831 23.3132 23.3132 25.9794 25.9794 26.2203 26.2203 k = 0.4524 0.3265-0.0148 ( 1432 PWs) bands (ev): -9.9837 -9.9837 -6.5081 -6.5081 -5.9644 -5.9644 -5.5819 -5.5819 0.2382 0.2382 2.3947 2.3947 4.2279 4.2279 5.0077 5.0077 5.5438 5.5438 7.4109 7.4109 8.4895 8.4895 8.7989 8.7989 10.5879 10.5879 11.1479 11.1479 11.2212 11.2212 12.3396 12.3396 22.6972 22.6972 23.3200 23.3200 25.9660 25.9660 26.2276 26.2276 k = 0.4444 0.3265-0.0148 ( 1432 PWs) bands (ev): -10.0150 -10.0150 -6.5349 -6.5349 -5.9392 -5.9392 -5.5810 -5.5810 0.2581 0.2581 2.4240 2.4240 4.2112 4.2112 5.0237 5.0237 5.5291 5.5291 7.4248 7.4248 8.5236 8.5236 8.8213 8.8213 10.5672 10.5672 11.1424 11.1424 11.2397 11.2397 12.3370 12.3370 22.7136 22.7136 23.3279 23.3279 25.9500 25.9500 26.2361 26.2361 k = 0.4365 0.3265-0.0148 ( 1434 PWs) bands (ev): -10.0502 -10.0502 -6.5648 -6.5648 -5.9111 -5.9111 -5.5805 -5.5805 0.2813 0.2813 2.4577 2.4577 4.1922 4.1922 5.0383 5.0383 5.5171 5.5171 7.4409 7.4409 8.5617 8.5617 8.8463 8.8463 10.5449 10.5449 11.1361 11.1361 11.2596 11.2596 12.3340 12.3340 22.7324 22.7324 23.3369 23.3369 25.9312 25.9312 26.2457 26.2457 k = 0.4286 0.3265-0.0148 ( 1436 PWs) bands (ev): -10.0891 -10.0891 -6.5976 -6.5976 -5.8805 -5.8805 -5.5808 -5.5808 0.3079 0.3079 2.4954 2.4954 4.1709 4.1709 5.0491 5.0491 5.5105 5.5105 7.4594 7.4594 8.6034 8.6034 8.8738 8.8738 10.5215 10.5215 11.1291 11.1291 11.2806 11.2806 12.3307 12.3307 22.7534 22.7534 23.3471 23.3471 25.9095 25.9095 26.2564 26.2564 k = 0.4206 0.3265-0.0148 ( 1432 PWs) bands (ev): -10.1313 -10.1313 -6.6330 -6.6330 -5.8477 -5.8477 -5.5819 -5.5819 0.3380 0.3380 2.5372 2.5372 4.1473 4.1473 5.0539 5.0539 5.5119 5.5119 7.4802 7.4802 8.6481 8.6481 8.9035 8.9035 10.4972 10.4972 11.1215 11.1215 11.3026 11.3026 12.3272 12.3272 22.7766 22.7766 23.3583 23.3583 25.8846 25.8846 26.2680 26.2680 k = 0.4127 0.3265-0.0148 ( 1436 PWs) bands (ev): -10.1766 -10.1766 -6.6707 -6.6707 -5.8132 -5.8132 -5.5841 -5.5841 0.3716 0.3716 2.5829 2.5829 4.1215 4.1215 5.0506 5.0506 5.5236 5.5236 7.5034 7.5034 8.6955 8.6955 8.9351 8.9351 10.4723 10.4723 11.1132 11.1132 11.3253 11.3253 12.3234 12.3234 22.8018 22.8018 23.3706 23.3706 25.8563 25.8563 26.2805 26.2805 k = 0.4048 0.3265-0.0148 ( 1436 PWs) bands (ev): -10.2245 -10.2245 -6.7103 -6.7103 -5.7773 -5.7773 -5.5873 -5.5873 0.4089 0.4089 2.6322 2.6322 4.0938 4.0938 5.0387 5.0387 5.5467 5.5467 7.5289 7.5289 8.7450 8.7450 8.9683 8.9683 10.4472 10.4472 11.1043 11.1043 11.3487 11.3487 12.3195 12.3195 22.8287 22.8287 23.3839 23.3839 25.8242 25.8242 26.2938 26.2938 k = 0.3968 0.3265-0.0148 ( 1436 PWs) bands (ev): -10.2749 -10.2749 -6.7518 -6.7518 -5.7404 -5.7404 -5.5917 -5.5917 0.4501 0.4501 2.6849 2.6849 4.0641 4.0641 5.0187 5.0187 5.5807 5.5807 7.5566 7.5566 8.7964 8.7964 9.0027 9.0027 10.4220 10.4220 11.0949 11.0949 11.3725 11.3725 12.3154 12.3154 22.8573 22.8573 23.3981 23.3981 25.7879 25.7879 26.3076 26.3076 k = 0.3889 0.3265-0.0148 ( 1434 PWs) bands (ev): -10.3273 -10.3273 -6.7948 -6.7948 -5.7028 -5.7028 -5.5974 -5.5974 0.4951 0.4951 2.7408 2.7408 4.0326 4.0326 4.9923 4.9923 5.6245 5.6245 7.5864 7.5864 8.8491 8.8491 9.0383 9.0383 10.3970 10.3970 11.0851 11.0851 11.3968 11.3968 12.3112 12.3112 22.8873 22.8873 23.4132 23.4132 25.7470 25.7470 26.3219 26.3219 k = 0.3810 0.3265-0.0148 ( 1434 PWs) bands (ev): -10.3815 -10.3815 -6.8391 -6.8391 -5.6649 -5.6649 -5.6043 -5.6043 0.5441 0.5441 2.7995 2.7995 3.9994 3.9994 4.9612 4.9612 5.6767 5.6767 7.6182 7.6182 8.9029 8.9029 9.0746 9.0746 10.3723 10.3723 11.0748 11.0748 11.4215 11.4215 12.3070 12.3070 22.9184 22.9184 23.4291 23.4291 25.7011 25.7011 26.3363 26.3363 k = 0.3730 0.3265-0.0148 ( 1434 PWs) bands (ev): -10.4372 -10.4372 -6.8846 -6.8846 -5.6272 -5.6272 -5.6125 -5.6125 0.5972 0.5972 2.8607 2.8607 3.9648 3.9648 4.9271 4.9271 5.7358 5.7358 7.6518 7.6518 8.9574 8.9574 9.1115 9.1115 10.3482 10.3482 11.0642 11.0642 11.4465 11.4465 12.3028 12.3028 22.9503 22.9503 23.4457 23.4457 25.6499 25.6499 26.3506 26.3506 k = 0.3651 0.3265-0.0148 ( 1428 PWs) bands (ev): -10.4942 -10.4942 -6.9309 -6.9309 -5.6223 -5.6223 -5.5893 -5.5893 0.6545 0.6545 2.9239 2.9239 3.9287 3.9287 4.8916 4.8916 5.8008 5.8008 7.6870 7.6870 9.0123 9.0123 9.1486 9.1486 10.3250 10.3250 11.0534 11.0534 11.4719 11.4719 12.2987 12.2987 22.9826 22.9826 23.4630 23.4630 25.5931 25.5931 26.3641 26.3641 k = 0.3571 0.3265-0.0148 ( 1428 PWs) bands (ev): -10.5522 -10.5522 -6.9781 -6.9781 -5.6331 -5.6331 -5.5524 -5.5524 0.7160 0.7160 2.9884 2.9884 3.8914 3.8914 4.8560 4.8560 5.8709 5.8709 7.7235 7.7235 9.0672 9.0672 9.1858 9.1858 10.3027 10.3027 11.0423 11.0423 11.4976 11.4976 12.2947 12.2947 23.0147 23.0147 23.4808 23.4808 25.5305 25.5305 26.3760 26.3760 k = 0.3492 0.3265-0.0148 ( 1428 PWs) bands (ev): -10.6109 -10.6109 -7.0258 -7.0258 -5.6452 -5.6452 -5.5162 -5.5162 0.7817 0.7817 3.0538 3.0538 3.8529 3.8529 4.8214 4.8214 5.9453 5.9453 7.7611 7.7611 9.1219 9.1219 9.2228 9.2228 10.2818 10.2818 11.0311 11.0311 11.5235 11.5235 12.2908 12.2908 23.0460 23.0460 23.4989 23.4989 25.4623 25.4623 26.3846 26.3846 k = 0.3413 0.3265-0.0148 ( 1430 PWs) bands (ev): -10.6703 -10.6703 -7.0739 -7.0739 -5.6585 -5.6585 -5.4810 -5.4810 0.8517 0.8517 3.1191 3.1191 3.8136 3.8136 4.7893 4.7893 6.0235 6.0235 7.7994 7.7994 9.1761 9.1761 9.2595 9.2595 10.2623 10.2623 11.0198 11.0198 11.5498 11.5498 12.2872 12.2872 23.0758 23.0758 23.5174 23.5174 25.3890 25.3890 26.3869 26.3869 k = 0.3333 0.3265-0.0148 ( 1432 PWs) bands (ev): -10.7300 -10.7300 -7.1224 -7.1224 -5.6729 -5.6729 -5.4470 -5.4470 0.9261 0.9261 3.1833 3.1833 3.7734 3.7734 4.7607 4.7607 6.1049 6.1049 7.8381 7.8381 9.2295 9.2295 9.2954 9.2954 10.2446 10.2446 11.0086 11.0086 11.5764 11.5764 12.2838 12.2838 23.1029 23.1029 23.5360 23.5360 25.3114 25.3114 26.3776 26.3776 k = 0.3254 0.3265-0.0148 ( 1432 PWs) bands (ev): -10.7899 -10.7899 -7.1710 -7.1710 -5.6885 -5.6885 -5.4144 -5.4144 1.0047 1.0047 3.2453 3.2453 3.7325 3.7325 4.7372 4.7372 6.1893 6.1893 7.8769 7.8769 9.2820 9.2820 9.3304 9.3304 10.2291 10.2291 10.9974 10.9974 11.6032 11.6032 12.2808 12.2808 23.1262 23.1262 23.5545 23.5545 25.2308 25.2308 26.3475 26.3475 k = 0.3175 0.3265-0.0148 ( 1430 PWs) bands (ev): -10.8498 -10.8498 -7.2197 -7.2197 -5.7050 -5.7050 -5.3834 -5.3834 1.0877 1.0877 3.3037 3.3037 3.6911 3.6911 4.7201 4.7201 6.2763 6.2763 7.9154 7.9154 9.3334 9.3334 9.3643 9.3643 10.2161 10.2161 10.9865 10.9865 11.6303 11.6303 12.2781 12.2781 23.1441 23.1441 23.5728 23.5728 25.1490 25.1490 26.2868 26.2868 k = 0.3095 0.3265-0.0148 ( 1430 PWs) bands (ev): -10.9096 -10.9096 -7.2682 -7.2682 -5.7224 -5.7224 -5.3539 -5.3539 1.1749 1.1749 3.3571 3.3571 3.6494 3.6494 4.7111 4.7111 6.3653 6.3653 7.9533 7.9533 9.3833 9.3833 9.3966 9.3966 10.2059 10.2059 10.9758 10.9758 11.6577 11.6577 12.2759 12.2759 23.1545 23.1545 23.5906 23.5906 25.0684 25.0684 26.1942 26.1942 k = 0.3016 0.3265-0.0148 ( 1432 PWs) bands (ev): -10.9691 -10.9691 -7.3166 -7.3166 -5.7407 -5.7407 -5.3260 -5.3260 1.2663 1.2663 3.4038 3.4038 3.6074 3.6074 4.7117 4.7117 6.4563 6.4563 7.9902 7.9902 9.4261 9.4261 9.4325 9.4325 10.1992 10.1992 10.9655 10.9655 11.6853 11.6853 12.2741 12.2741 23.1553 23.1553 23.6076 23.6076 24.9918 24.9918 26.0779 26.0779 k = 0.2937 0.3265-0.0148 ( 1432 PWs) bands (ev): -11.0281 -11.0281 -7.3647 -7.3647 -5.7598 -5.7598 -5.3000 -5.3000 1.3618 1.3618 3.4425 3.4425 3.5652 3.5652 4.7235 4.7235 6.5488 6.5488 8.0256 8.0256 9.4542 9.4542 9.4790 9.4790 10.1965 10.1965 10.9556 10.9556 11.7132 11.7132 12.2728 12.2728 23.1437 23.1437 23.6235 23.6235 24.9223 24.9223 25.9469 25.9469 k = 0.2857 0.3265-0.0148 ( 1432 PWs) bands (ev): -11.0867 -11.0867 -7.4124 -7.4124 -5.7795 -5.7795 -5.2756 -5.2756 1.4613 1.4613 3.4719 3.4719 3.5231 3.5231 4.7475 4.7475 6.6425 6.6425 8.0594 8.0594 9.4791 9.4791 9.5241 9.5241 10.1984 10.1984 10.9462 10.9462 11.7412 11.7412 12.2721 12.2721 23.1175 23.1175 23.6379 23.6379 24.8633 24.8633 25.8071 25.8071 k = 0.2778 0.3265-0.0148 ( 1434 PWs) bands (ev): -11.1445 -11.1445 -7.4596 -7.4596 -5.7998 -5.7998 -5.2531 -5.2531 1.5647 1.5647 3.4807 3.4807 3.4920 3.4920 4.7841 4.7841 6.7371 6.7371 8.0912 8.0912 9.5003 9.5003 9.5672 9.5672 10.2054 10.2054 10.9375 10.9375 11.7694 11.7694 12.2718 12.2718 23.0743 23.0743 23.6503 23.6503 24.8175 24.8175 25.6625 25.6625 k = 0.2698 0.3265-0.0148 ( 1430 PWs) bands (ev): -11.2016 -11.2016 -7.5063 -7.5063 -5.8206 -5.8206 -5.2323 -5.2323 1.6719 1.6719 3.4392 3.4392 3.5018 3.5018 4.8334 4.8334 6.8323 6.8323 8.1208 8.1208 9.5174 9.5174 9.6085 9.6085 10.2182 10.2182 10.9295 10.9295 11.7976 11.7976 12.2721 12.2721 23.0130 23.0130 23.6600 23.6600 24.7871 24.7871 25.5155 25.5155 k = 0.2619 0.3265-0.0148 ( 1436 PWs) bands (ev): -11.2578 -11.2578 -7.5523 -7.5523 -5.8418 -5.8418 -5.2133 -5.2133 1.7826 1.7826 3.3978 3.3978 3.5029 3.5029 4.8944 4.8944 6.9278 6.9278 8.1479 8.1479 9.5299 9.5299 9.6476 9.6476 10.2370 10.2370 10.9222 10.9222 11.8260 11.8260 12.2730 12.2730 22.9334 22.9334 23.6663 23.6663 24.7728 24.7728 25.3680 25.3680 k = 0.2540 0.3265-0.0148 ( 1434 PWs) bands (ev): -11.3131 -11.3131 -7.5976 -7.5976 -5.8633 -5.8633 -5.1959 -5.1959 1.8967 1.8967 3.3569 3.3569 3.4962 3.4962 4.9660 4.9660 7.0232 7.0232 8.1724 8.1724 9.5376 9.5376 9.6846 9.6846 10.2621 10.2621 10.9159 10.9159 11.8543 11.8543 12.2744 12.2744 22.8367 22.8367 23.6681 23.6681 24.7744 24.7744 25.2221 25.2221 k = 0.2460 0.3265-0.0148 ( 1430 PWs) bands (ev): -11.3673 -11.3673 -7.6421 -7.6421 -5.8850 -5.8850 -5.1802 -5.1802 2.0139 2.0139 3.3167 3.3167 3.4829 3.4829 5.0469 5.0469 7.1184 7.1184 8.1942 8.1942 9.5403 9.5403 9.7195 9.7195 10.2936 10.2936 10.9107 10.9107 11.8826 11.8826 12.2762 12.2762 22.7247 22.7247 23.6641 23.6641 24.7905 24.7905 25.0799 25.0799 k = 0.2381 0.3265-0.0148 ( 1422 PWs) bands (ev): -11.4203 -11.4203 -7.6857 -7.6857 -5.9069 -5.9069 -5.1661 -5.1661 2.1340 2.1340 3.2772 3.2772 3.4642 3.4642 5.1355 5.1355 7.2128 7.2128 8.2132 8.2132 9.5382 9.5382 9.7522 9.7522 10.3310 10.3310 10.9066 10.9066 11.9107 11.9107 12.2786 12.2786 22.5999 22.5999 23.6524 23.6524 24.8187 24.8187 24.9444 24.9444 k = 0.2302 0.3265-0.0148 ( 1422 PWs) bands (ev): -11.4722 -11.4722 -7.7284 -7.7284 -5.9288 -5.9288 -5.1536 -5.1536 2.2567 2.2567 3.2387 3.2387 3.4413 3.4413 5.2307 5.2307 7.3063 7.3063 8.2296 8.2296 9.5314 9.5314 9.7826 9.7826 10.3740 10.3740 10.9037 10.9037 11.9387 11.9387 12.2814 12.2814 22.4646 22.4646 23.6310 23.6310 24.8087 24.8087 24.8667 24.8667 k = 0.2222 0.3265-0.0148 ( 1424 PWs) bands (ev): -11.5228 -11.5228 -7.7702 -7.7702 -5.9507 -5.9507 -5.1425 -5.1425 2.3816 2.3816 3.2014 3.2014 3.4153 3.4153 5.3312 5.3312 7.3985 7.3985 8.2432 8.2432 9.5202 9.5202 9.8107 9.8107 10.4221 10.4221 10.9023 10.9023 11.9663 11.9663 12.2845 12.2845 22.3213 22.3213 23.5973 23.5973 24.6954 24.6954 24.9130 24.9130 k = 0.2143 0.3265-0.0148 ( 1424 PWs) bands (ev): -11.5721 -11.5721 -7.8109 -7.8109 -5.9725 -5.9725 -5.1327 -5.1327 2.5080 2.5080 3.1659 3.1659 3.3870 3.3870 5.4361 5.4361 7.4890 7.4890 8.2544 8.2544 9.5048 9.5048 9.8366 9.8366 10.4745 10.4745 10.9024 10.9024 11.9936 11.9936 12.2880 12.2880 22.1719 22.1719 23.5489 23.5489 24.5929 24.5929 24.9705 24.9705 k = 0.2063 0.3265-0.0148 ( 1424 PWs) bands (ev): -11.6200 -11.6200 -7.8505 -7.8505 -5.9941 -5.9941 -5.1242 -5.1242 2.6347 2.6347 3.1330 3.1330 3.3572 3.3572 5.5444 5.5444 7.5776 7.5776 8.2631 8.2631 9.4857 9.4857 9.8601 9.8601 10.5308 10.5308 10.9042 10.9042 12.0205 12.0205 12.2917 12.2917 22.0183 22.0183 23.4841 23.4841 24.5065 24.5065 25.0350 25.0350 k = 0.1984 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.6664 -11.6664 -7.8889 -7.8889 -6.0155 -6.0155 -5.1170 -5.1170 2.7591 2.7591 3.1055 3.1055 3.3263 3.3263 5.6554 5.6554 7.6639 7.6639 8.2696 8.2696 9.4628 9.4628 9.8812 9.8812 10.5903 10.5903 10.9078 10.9078 12.0468 12.0468 12.2956 12.2956 21.8621 21.8621 23.4025 23.4025 24.4368 24.4368 25.1050 25.1050 k = 0.1905 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.7114 -11.7114 -7.9262 -7.9262 -6.0366 -6.0366 -5.1108 -5.1108 2.8712 2.8712 3.0928 3.0928 3.2948 3.2948 5.7683 5.7683 7.7477 7.7477 8.2741 8.2741 9.4367 9.4367 9.9000 9.9000 10.6523 10.6523 10.9135 10.9135 12.0726 12.0726 12.2995 12.2995 21.7047 21.7047 23.3056 23.3056 24.3830 24.3830 25.1797 25.1797 k = 0.1825 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.7548 -11.7548 -7.9623 -7.9623 -6.0573 -6.0573 -5.1056 -5.1056 2.9379 2.9379 3.1279 3.1279 3.2632 3.2632 5.8827 5.8827 7.8286 7.8286 8.2767 8.2767 9.4073 9.4073 9.9163 9.9163 10.7164 10.7164 10.9213 10.9213 12.0977 12.0977 12.3034 12.3034 21.5471 21.5471 23.1963 23.1963 24.3427 24.3427 25.2582 25.2582 k = 0.1746 0.3265-0.0148 ( 1428 PWs) bands (ev): -11.7967 -11.7967 -7.9971 -7.9971 -6.0775 -6.0775 -5.1014 -5.1014 2.9423 2.9423 3.2253 3.2253 3.2338 3.2338 5.9980 5.9980 7.9064 7.9064 8.2777 8.2777 9.3748 9.3748 9.9302 9.9302 10.7820 10.7820 10.9315 10.9315 12.1221 12.1221 12.3072 12.3072 21.3904 21.3904 23.0777 23.0777 24.3130 24.3130 25.3398 25.3398 k = 0.1667 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.8369 -11.8369 -8.0306 -8.0306 -6.0973 -6.0973 -5.0980 -5.0980 2.9233 2.9233 3.2005 3.2005 3.3526 3.3526 6.1136 6.1136 7.9808 7.9808 8.2773 8.2773 9.3395 9.3395 9.9417 9.9417 10.8485 10.8485 10.9440 10.9440 12.1456 12.1456 12.3107 12.3107 21.2355 21.2355 22.9531 22.9531 24.2914 24.2914 25.4240 25.4240 k = 0.1587 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.8755 -11.8755 -8.0628 -8.0628 -6.1165 -6.1165 -5.0954 -5.0954 2.8983 2.8983 3.1700 3.1700 3.4849 3.4849 6.2291 6.2291 8.0516 8.0516 8.2756 8.2756 9.3014 9.3014 9.9506 9.9506 10.9156 10.9156 10.9590 10.9590 12.1683 12.1683 12.3140 12.3140 21.0833 21.0833 22.8249 22.8249 24.2755 24.2755 25.5100 25.5100 k = 0.1508 0.3265-0.0148 ( 1426 PWs) bands (ev): -11.9123 -11.9123 -8.0935 -8.0935 -6.1350 -6.1350 -5.0934 -5.0934 2.8721 2.8721 3.1404 3.1404 3.6199 3.6199 6.3440 6.3440 8.1186 8.1186 8.2728 8.2728 9.2606 9.2606 9.9569 9.9569 10.9756 10.9756 10.9836 10.9836 12.1901 12.1901 12.3169 12.3169 20.9343 20.9343 22.6954 22.6954 24.2638 24.2638 25.5974 25.5974 k = 0.1429 0.3265-0.0148 ( 1420 PWs) bands (ev): -11.9475 -11.9475 -8.1229 -8.1229 -6.1529 -6.1529 -5.0920 -5.0920 2.8459 2.8459 3.1116 3.1116 3.7557 3.7557 6.4578 6.4578 8.1817 8.1817 8.2692 8.2692 9.2174 9.2174 9.9608 9.9608 10.9963 10.9963 11.0497 11.0497 12.2108 12.2108 12.3193 12.3193 20.7894 20.7894 22.5662 22.5662 24.2549 24.2549 25.6857 25.6857 k = 0.1349 0.3265-0.0148 ( 1420 PWs) bands (ev): -11.9809 -11.9809 -8.1508 -8.1508 -6.1701 -6.1701 -5.0912 -5.0912 2.8203 2.8203 3.0839 3.0839 3.8913 3.8913 6.5702 6.5702 8.2407 8.2407 8.2650 8.2650 9.1718 9.1718 9.9622 9.9622 11.0187 11.0187 11.1157 11.1157 12.2305 12.2305 12.3212 12.3212 20.6491 20.6491 22.4388 22.4388 24.2481 24.2481 25.7742 25.7742 k = 0.1270 0.3265-0.0148 ( 1418 PWs) bands (ev): -12.0125 -12.0125 -8.1773 -8.1773 -6.1866 -6.1866 -5.0907 -5.0907 2.7958 2.7958 3.0574 3.0574 4.0260 4.0260 6.6806 6.6806 8.2597 8.2597 8.2960 8.2960 9.1242 9.1242 9.9611 9.9611 11.0434 11.0434 11.1805 11.1805 12.2491 12.2491 12.3224 12.3224 20.5139 20.5139 22.3141 22.3141 24.2426 24.2426 25.8626 25.8626 k = 0.1190 0.3265-0.0148 ( 1422 PWs) bands (ev): -12.0424 -12.0424 -8.2023 -8.2023 -6.2022 -6.2022 -5.0907 -5.0907 2.7724 2.7724 3.0321 3.0321 4.1592 4.1592 6.7886 6.7886 8.2544 8.2544 8.3469 8.3469 9.0746 9.0746 9.9578 9.9578 11.0700 11.0700 11.2436 11.2436 12.2666 12.2666 12.3230 12.3230 20.3843 20.3843 22.1932 22.1932 24.2380 24.2380 25.9501 25.9501 k = 0.1111 0.3265-0.0148 ( 1422 PWs) bands (ev): -12.0704 -12.0704 -8.2258 -8.2258 -6.2170 -6.2170 -5.0910 -5.0910 2.7502 2.7502 3.0082 3.0082 4.2902 4.2902 6.8937 6.8937 8.2488 8.2488 8.3937 8.3937 9.0235 9.0235 9.9523 9.9523 11.0983 11.0983 11.3049 11.3049 12.2829 12.2829 12.3228 12.3228 20.2610 20.2610 22.0767 22.0767 24.2340 24.2340 26.0363 26.0363 k = 0.1032 0.3265-0.0148 ( 1428 PWs) bands (ev): -12.0966 -12.0966 -8.2478 -8.2478 -6.2310 -6.2310 -5.0915 -5.0915 2.7294 2.7294 2.9857 2.9857 4.4184 4.4184 6.9955 6.9955 8.2428 8.2428 8.4365 8.4365 8.9712 8.9712 9.9448 9.9448 11.1280 11.1280 11.3638 11.3638 12.2980 12.2980 12.3219 12.3219 20.1441 20.1441 21.9655 21.9655 24.2304 24.2304 26.1203 26.1203 k = 0.0952 0.3265-0.0148 ( 1426 PWs) bands (ev): -12.1208 -12.1208 -8.2682 -8.2682 -6.2440 -6.2440 -5.0922 -5.0922 2.7100 2.7100 2.9647 2.9647 4.5431 4.5431 7.0933 7.0933 8.2368 8.2368 8.4753 8.4753 8.9182 8.9182 9.9355 9.9355 11.1587 11.1587 11.4200 11.4200 12.3118 12.3118 12.3204 12.3204 20.0342 20.0342 21.8602 21.8602 24.2272 24.2272 26.2013 26.2013 k = 0.0873 0.3265-0.0148 ( 1426 PWs) bands (ev): -12.1433 -12.1433 -8.2870 -8.2870 -6.2561 -6.2561 -5.0930 -5.0930 2.6920 2.6920 2.9452 2.9452 4.6636 4.6636 7.1868 7.1868 8.2307 8.2307 8.5103 8.5103 8.8648 8.8648 9.9248 9.9248 11.1898 11.1898 11.4733 11.4733 12.3180 12.3180 12.3246 12.3246 19.9318 19.9318 21.7613 21.7613 24.2241 24.2241 26.2778 26.2778 k = 0.0794 0.3265-0.0148 ( 1424 PWs) bands (ev): -12.1638 -12.1638 -8.3042 -8.3042 -6.2672 -6.2672 -5.0939 -5.0939 2.6754 2.6754 2.9272 2.9272 4.7789 4.7789 7.2752 7.2752 8.2247 8.2247 8.5416 8.5416 8.8118 8.8118 9.9129 9.9129 11.2209 11.2209 11.5233 11.5233 12.3152 12.3152 12.3359 12.3359 19.8371 19.8371 21.6692 21.6692 24.2211 24.2211 26.3461 26.3461 k = 0.0714 0.3265-0.0148 ( 1426 PWs) bands (ev): -12.1824 -12.1824 -8.3199 -8.3199 -6.2774 -6.2774 -5.0949 -5.0949 2.6604 2.6604 2.9109 2.9109 4.8883 4.8883 7.3580 7.3580 8.2187 8.2187 8.5693 8.5693 8.7599 8.7599 9.9002 9.9002 11.2514 11.2514 11.5696 11.5696 12.3118 12.3118 12.3460 12.3460 19.7504 19.7504 21.5845 21.5845 24.2183 24.2183 26.3897 26.3897 k = 0.0635 0.3265-0.0148 ( 1424 PWs) bands (ev): -12.1990 -12.1990 -8.3339 -8.3339 -6.2865 -6.2865 -5.0958 -5.0958 2.6469 2.6469 2.8962 2.8962 4.9907 4.9907 7.4347 7.4347 8.2129 8.2129 8.5936 8.5936 8.7097 8.7097 9.8870 9.8870 11.2808 11.2808 11.6120 11.6120 12.3079 12.3079 12.3549 12.3549 19.6720 19.6720 21.5075 21.5075 24.2156 24.2156 26.3775 26.3775 k = 0.0556 0.3265-0.0148 ( 1422 PWs) bands (ev): -12.2138 -12.2138 -8.3463 -8.3463 -6.2946 -6.2946 -5.0968 -5.0968 2.6349 2.6349 2.8832 2.8832 5.0851 5.0851 7.5044 7.5044 8.2072 8.2072 8.6144 8.6144 8.6624 8.6624 9.8738 9.8738 11.3086 11.3086 11.6502 11.6502 12.3039 12.3039 12.3626 12.3626 19.6023 19.6023 21.4387 21.4387 24.2132 24.2132 26.3403 26.3403 k = 0.0476 0.3265-0.0148 ( 1422 PWs) bands (ev): -12.2266 -12.2266 -8.3571 -8.3571 -6.3017 -6.3017 -5.0976 -5.0976 2.6245 2.6245 2.8718 2.8718 5.1704 5.1704 7.5667 7.5667 8.2018 8.2018 8.6178 8.6178 8.6332 8.6332 9.8610 9.8610 11.3341 11.3341 11.6840 11.6840 12.2997 12.2997 12.3691 12.3691 19.5413 19.5413 21.3784 21.3784 24.2109 24.2109 26.3023 26.3023 k = 0.0397 0.3265-0.0148 ( 1428 PWs) bands (ev): -12.2374 -12.2374 -8.3663 -8.3663 -6.3077 -6.3077 -5.0984 -5.0984 2.6157 2.6157 2.8622 2.8622 5.2452 5.2452 7.6208 7.6208 8.1967 8.1967 8.5792 8.5792 8.6475 8.6475 9.8491 9.8491 11.3568 11.3568 11.7130 11.7130 12.2956 12.2956 12.3745 12.3745 19.4894 19.4894 21.3269 21.3269 24.2088 24.2088 26.2684 26.2684 k = 0.0317 0.3265-0.0148 ( 1430 PWs) bands (ev): -12.2463 -12.2463 -8.3738 -8.3738 -6.3126 -6.3126 -5.0991 -5.0991 2.6085 2.6085 2.8543 2.8543 5.3086 5.3086 7.6661 7.6661 8.1920 8.1920 8.5458 8.5458 8.6594 8.6594 9.8385 9.8385 11.3762 11.3762 11.7370 11.7370 12.2919 12.2919 12.3789 12.3789 19.4467 19.4467 21.2843 21.2843 24.2071 24.2071 26.2400 26.2400 k = 0.0238 0.3265-0.0148 ( 1428 PWs) bands (ev): -12.2532 -12.2532 -8.3796 -8.3796 -6.3165 -6.3165 -5.0996 -5.0996 2.6028 2.6028 2.8482 2.8482 5.3593 5.3593 7.7021 7.7021 8.1879 8.1879 8.5188 8.5188 8.6686 8.6686 9.8298 9.8298 11.3919 11.3919 11.7560 11.7560 12.2887 12.2887 12.3822 12.3822 19.4134 19.4134 21.2510 21.2510 24.2057 24.2057 26.2175 26.2175 k = 0.0159 0.3265-0.0148 ( 1430 PWs) bands (ev): -12.2582 -12.2582 -8.3838 -8.3838 -6.3192 -6.3192 -5.1000 -5.1000 2.5988 2.5988 2.8437 2.8437 5.3964 5.3964 7.7281 7.7281 8.1848 8.1848 8.4990 8.4990 8.6751 8.6751 9.8233 9.8233 11.4034 11.4034 11.7696 11.7696 12.2863 12.2863 12.3845 12.3845 19.3895 19.3895 21.2271 21.2271 24.2047 24.2047 26.2013 26.2013 k = 0.0079 0.3265-0.0148 ( 1432 PWs) bands (ev): -12.2611 -12.2611 -8.3863 -8.3863 -6.3209 -6.3209 -5.1003 -5.1003 2.5964 2.5964 2.8411 2.8411 5.4190 5.4190 7.7439 7.7439 8.1827 8.1827 8.4870 8.4870 8.6789 8.6789 9.8192 9.8192 11.4104 11.4104 11.7779 11.7779 12.2847 12.2847 12.3859 12.3859 19.3751 19.3751 21.2127 21.2127 24.2041 24.2041 26.1915 26.1915 k = 0.0000 0.3265-0.0148 ( 1434 PWs) bands (ev): -12.2621 -12.2621 -8.3871 -8.3871 -6.3215 -6.3215 -5.1004 -5.1004 2.5956 2.5956 2.8402 2.8402 5.4265 5.4265 7.7492 7.7492 8.1820 8.1820 8.4829 8.4829 8.6802 8.6802 9.8178 9.8178 11.4128 11.4128 11.7806 11.7806 12.2842 12.2842 12.3863 12.3863 19.3703 19.3703 21.2079 21.2079 24.2039 24.2039 26.1882 26.1882 k = 0.0000 0.3265-0.0148 ( 1434 PWs) bands (ev): -12.2621 -12.2621 -8.3871 -8.3871 -6.3215 -6.3215 -5.1004 -5.1004 2.5956 2.5956 2.8402 2.8402 5.4265 5.4265 7.7492 7.7492 8.1820 8.1820 8.4829 8.4829 8.6802 8.6802 9.8178 9.8178 11.4128 11.4128 11.7806 11.7806 12.2842 12.2842 12.3863 12.3863 19.3703 19.3703 21.2079 21.2079 24.2039 24.2039 26.1882 26.1882 k = 0.0000 0.3268-0.0070 ( 1430 PWs) bands (ev): -12.2618 -12.2618 -8.3865 -8.3865 -6.3226 -6.3226 -5.1019 -5.1019 2.5961 2.5961 2.8444 2.8444 5.4268 5.4268 7.7492 7.7492 8.1820 8.1820 8.4719 8.4719 8.6894 8.6894 9.8186 9.8186 11.4124 11.4124 11.7803 11.7803 12.2775 12.2775 12.3900 12.3900 19.3695 19.3695 21.2097 21.2097 24.2054 24.2054 26.1901 26.1901 k = 0.0000 0.3272 0.0008 ( 1428 PWs) bands (ev): -12.2608 -12.2608 -8.3847 -8.3847 -6.3261 -6.3261 -5.1063 -5.1063 2.5980 2.5980 2.8569 2.8569 5.4274 5.4274 7.7493 7.7493 8.1819 8.1819 8.4432 8.4432 8.7124 8.7124 9.8208 9.8208 11.4113 11.4113 11.7794 11.7794 12.2598 12.2598 12.3987 12.3987 19.3672 19.3672 21.2149 21.2149 24.2098 24.2098 26.1958 26.1958 k = 0.0000 0.3275 0.0085 ( 1428 PWs) bands (ev): -12.2592 -12.2592 -8.3818 -8.3818 -6.3318 -6.3318 -5.1137 -5.1137 2.6016 2.6016 2.8771 2.8771 5.4284 5.4284 7.7493 7.7493 8.1816 8.1816 8.4041 8.4041 8.7421 8.7421 9.8245 9.8245 11.4094 11.4094 11.7780 11.7780 12.2346 12.2346 12.4089 12.4089 19.3633 19.3633 21.2237 21.2237 24.2172 24.2172 26.2050 26.2050 k = 0.0000 0.3279 0.0163 ( 1427 PWs) bands (ev): -12.2569 -12.2569 -8.3778 -8.3778 -6.3397 -6.3397 -5.1241 -5.1241 2.6075 2.6075 2.9044 2.9044 5.4299 5.4299 7.7494 7.7494 8.1809 8.1809 8.3589 8.3589 8.7743 8.7743 9.8297 9.8297 11.4069 11.4069 11.7759 11.7759 12.2042 12.2042 12.4184 12.4184 19.3580 19.3580 21.2358 21.2358 24.2276 24.2276 26.2177 26.2177 k = 0.0000 0.3282 0.0241 ( 1424 PWs) bands (ev): -12.2541 -12.2541 -8.3726 -8.3726 -6.3498 -6.3498 -5.1373 -5.1373 2.6163 2.6163 2.9382 2.9382 5.4317 5.4317 7.7494 7.7494 8.1794 8.1794 8.3104 8.3104 8.8069 8.8069 9.8365 9.8365 11.4037 11.4037 11.7733 11.7733 12.1698 12.1698 12.4261 12.4261 19.3513 19.3513 21.2512 21.2512 24.2409 24.2409 26.2333 26.2333 k = 0.0000 0.3286 0.0319 ( 1426 PWs) bands (ev): -12.2506 -12.2506 -8.3663 -8.3663 -6.3618 -6.3618 -5.1535 -5.1535 2.6283 2.6283 2.9778 2.9778 5.4339 5.4339 7.7495 7.7495 8.1755 8.1755 8.2607 8.2607 8.8389 8.8389 9.8447 9.8447 11.3998 11.3998 11.7700 11.7700 12.1319 12.1319 12.4315 12.4315 19.3433 19.3433 21.2697 21.2697 24.2571 24.2571 26.2515 26.2515 k = 0.0000 0.3289 0.0397 ( 1424 PWs) bands (ev): -12.2465 -12.2465 -8.3589 -8.3589 -6.3757 -6.3757 -5.1724 -5.1724 2.6439 2.6439 3.0226 3.0226 5.4365 5.4365 7.7496 7.7496 8.1623 8.1623 8.2176 8.2176 8.8698 8.8698 9.8545 9.8545 11.3954 11.3954 11.7662 11.7662 12.0910 12.0910 12.4345 12.4345 19.3341 19.3341 21.2912 21.2912 24.2763 24.2763 26.2716 26.2716 k = 0.0000 0.3293 0.0475 ( 1421 PWs) bands (ev): -12.2419 -12.2419 -8.3505 -8.3505 -6.3913 -6.3913 -5.1940 -5.1940 2.6633 2.6633 3.0723 3.0723 5.4395 5.4395 7.7497 7.7497 8.1238 8.1238 8.1970 8.1970 8.8995 8.8995 9.8658 9.8658 11.3904 11.3904 11.7618 11.7618 12.0473 12.0473 12.4350 12.4350 19.3237 19.3237 21.3154 21.3154 24.2984 24.2984 26.2931 26.2931 k = 0.0000 0.3297 0.0553 ( 1421 PWs) bands (ev): -12.2367 -12.2367 -8.3411 -8.3411 -6.4084 -6.4084 -5.2183 -5.2183 2.6866 2.6866 3.1265 3.1265 5.4429 5.4429 7.7499 7.7499 8.0687 8.0687 8.1905 8.1905 8.9278 8.9278 9.8787 9.8787 11.3848 11.3848 11.7569 11.7569 12.0010 12.0010 12.4329 12.4329 19.3125 19.3125 21.3423 21.3423 24.3234 24.3234 26.3151 26.3151 k = 0.0000 0.3300 0.0631 ( 1415 PWs) bands (ev): -12.2310 -12.2310 -8.3307 -8.3307 -6.4268 -6.4268 -5.2452 -5.2452 2.7139 2.7139 3.1848 3.1848 5.4465 5.4465 7.7500 7.7500 8.0079 8.0079 8.1871 8.1871 8.9548 8.9548 9.8931 9.8931 11.3789 11.3789 11.7513 11.7513 11.9523 11.9523 12.4284 12.4284 19.3004 19.3004 21.3715 21.3715 24.3513 24.3513 26.3370 26.3370 k = 0.0000 0.3304 0.0708 ( 1417 PWs) bands (ev): -12.2247 -12.2247 -8.3194 -8.3194 -6.4463 -6.4463 -5.2746 -5.2746 2.7451 2.7451 3.2468 3.2468 5.4505 5.4505 7.7501 7.7501 7.9441 7.9441 8.1842 8.1842 8.9804 8.9804 9.9090 9.9090 11.3726 11.3726 11.7452 11.7452 11.9015 11.9015 12.4213 12.4213 19.2876 19.2876 21.4029 21.4029 24.3821 24.3821 26.3581 26.3581 k = 0.0000 0.3307 0.0786 ( 1419 PWs) bands (ev): -12.2181 -12.2181 -8.3072 -8.3072 -6.4668 -6.4668 -5.3064 -5.3064 2.7802 2.7802 3.3125 3.3125 5.4548 5.4548 7.7501 7.7501 7.8779 7.8779 8.1810 8.1810 9.0046 9.0046 9.9263 9.9263 11.3659 11.3659 11.7384 11.7384 11.8487 11.8487 12.4119 12.4119 19.2743 19.2743 21.4361 21.4361 24.4157 24.4157 26.3777 26.3777 k = 0.0000 0.3311 0.0864 ( 1417 PWs) bands (ev): -12.2110 -12.2110 -8.2942 -8.2942 -6.4879 -6.4879 -5.3404 -5.3404 2.8191 2.8191 3.3813 3.3813 5.4593 5.4593 7.7501 7.7501 7.8098 7.8098 8.1773 8.1773 9.0278 9.0278 9.9451 9.9451 11.3590 11.3590 11.7309 11.7309 11.7945 11.7945 12.4002 12.4002 19.2606 19.2606 21.4709 21.4709 24.4522 24.4522 26.3957 26.3957 k = 0.0000 0.3314 0.0942 ( 1417 PWs) bands (ev): -12.2035 -12.2035 -8.2806 -8.2806 -6.5094 -6.5094 -5.3766 -5.3766 2.8615 2.8615 3.4532 3.4532 5.4641 5.4641 7.7386 7.7386 7.7512 7.7512 8.1726 8.1726 9.0499 9.0499 9.9653 9.9653 11.3519 11.3519 11.7201 11.7201 11.7414 11.7414 12.3862 12.3862 19.2467 19.2467 21.5070 21.5070 24.4915 24.4915 26.4119 26.4119 k = 0.0000 0.3318 0.1020 ( 1419 PWs) bands (ev): -12.1956 -12.1956 -8.2663 -8.2663 -6.5311 -6.5311 -5.4148 -5.4148 2.9074 2.9074 3.5279 3.5279 5.4691 5.4691 7.6674 7.6674 7.7505 7.7505 8.1670 8.1670 9.0712 9.0712 9.9867 9.9867 11.3447 11.3447 11.6774 11.6774 11.7184 11.7184 12.3702 12.3702 19.2326 19.2326 21.5442 21.5442 24.5335 24.5335 26.4263 26.4263 k = 0.0000 0.3321 0.1098 ( 1421 PWs) bands (ev): -12.1875 -12.1875 -8.2514 -8.2514 -6.5526 -6.5526 -5.4550 -5.4550 2.9564 2.9564 3.6052 3.6052 5.4742 5.4742 7.5939 7.5939 7.7504 7.7504 8.1601 8.1601 9.0918 9.0918 10.0094 10.0094 11.3374 11.3374 11.6196 11.6196 11.7089 11.7089 12.3523 12.3523 19.2186 19.2186 21.5822 21.5822 24.5782 24.5782 26.4391 26.4391 k = 0.0000 0.3325 0.1176 ( 1421 PWs) bands (ev): -12.1791 -12.1791 -8.2361 -8.2361 -6.5738 -6.5738 -5.4969 -5.4969 3.0084 3.0084 3.6848 3.6848 5.4795 5.4795 7.5186 7.5186 7.7503 7.7503 8.1518 8.1518 9.1119 9.1119 10.0332 10.0332 11.3302 11.3302 11.5601 11.5601 11.6998 11.6998 12.3325 12.3325 19.2047 19.2047 21.6207 21.6207 24.6255 24.6255 26.4507 26.4507 k = 0.0000 0.3328 0.1254 ( 1421 PWs) bands (ev): -12.1705 -12.1705 -8.2204 -8.2204 -6.5943 -6.5943 -5.5404 -5.5404 3.0631 3.0631 3.7665 3.7665 5.4850 5.4850 7.4419 7.4419 7.7503 7.7503 8.1420 8.1420 9.1317 9.1317 10.0580 10.0580 11.3230 11.3230 11.4997 11.4997 11.6905 11.6905 12.3111 12.3111 19.1910 19.1910 21.6595 21.6595 24.6753 24.6753 26.4612 26.4612 k = 0.0000 0.3332 0.1332 ( 1424 PWs) bands (ev): -12.1617 -12.1617 -8.2045 -8.2045 -6.6140 -6.6140 -5.5854 -5.5854 3.1202 3.1202 3.8502 3.8502 5.4905 5.4905 7.3636 7.3636 7.7502 7.7502 8.1305 8.1305 9.1515 9.1515 10.0837 10.0837 11.3159 11.3159 11.4387 11.4387 11.6810 11.6810 12.2881 12.2881 19.1777 19.1777 21.6982 21.6982 24.7275 24.7275 26.4709 26.4709 k = 0.0000 0.3335 0.1409 ( 1422 PWs) bands (ev): -12.1528 -12.1528 -8.1884 -8.1884 -6.6324 -6.6324 -5.6318 -5.6318 3.1794 3.1794 3.9357 3.9357 5.4961 5.4961 7.2839 7.2839 7.7501 7.7501 8.1174 8.1174 9.1713 9.1713 10.1102 10.1102 11.3089 11.3089 11.3775 11.3775 11.6712 11.6712 12.2637 12.2637 19.1649 19.1649 21.7367 21.7367 24.7819 24.7819 26.4800 26.4800 k = 0.0000 0.3339 0.1487 ( 1420 PWs) bands (ev): -12.1439 -12.1439 -8.1723 -8.1723 -6.6493 -6.6493 -5.6793 -5.6793 3.2404 3.2404 4.0227 4.0227 5.5017 5.5017 7.2029 7.2029 7.7499 7.7499 8.1024 8.1024 9.1913 9.1913 10.1373 10.1373 11.3018 11.3018 11.3167 11.3167 11.6613 11.6613 12.2381 12.2381 19.1527 19.1527 21.7746 21.7746 24.8384 24.8384 26.4885 26.4885 k = 0.0000 0.3343 0.1565 ( 1419 PWs) bands (ev): -12.1350 -12.1350 -8.1563 -8.1563 -6.6645 -6.6645 -5.7279 -5.7279 3.3028 3.3028 4.1111 4.1111 5.5073 5.5073 7.1207 7.1207 7.7498 7.7498 8.0855 8.0855 9.2118 9.2118 10.1648 10.1648 11.2548 11.2548 11.2962 11.2962 11.6512 11.6512 12.2115 12.2115 19.1411 19.1411 21.8119 21.8119 24.8966 24.8966 26.4967 26.4967 k = 0.0000 0.3346 0.1643 ( 1417 PWs) bands (ev): -12.1261 -12.1261 -8.1406 -8.1406 -6.6778 -6.6778 -5.7774 -5.7774 3.3663 3.3663 4.2007 4.2007 5.5129 5.5129 7.0373 7.0373 7.7496 7.7496 8.0668 8.0668 9.2327 9.2327 10.1928 10.1928 11.1943 11.1943 11.2900 11.2900 11.6411 11.6411 12.1841 12.1841 19.1302 19.1302 21.8481 21.8481 24.9563 24.9563 26.5045 26.5045 k = 0.0000 0.3350 0.1721 ( 1417 PWs) bands (ev): -12.1174 -12.1174 -8.1252 -8.1252 -6.6887 -6.6887 -5.8276 -5.8276 3.4304 3.4304 4.2913 4.2913 5.5183 5.5183 6.9529 6.9529 7.7493 7.7493 8.0462 8.0462 9.2542 9.2542 10.2208 10.2208 11.1344 11.1344 11.2842 11.2842 11.6310 11.6310 12.1561 12.1561 19.1201 19.1201 21.8833 21.8833 25.0172 25.0172 26.5118 26.5118 k = 0.0000 0.3353 0.1799 ( 1421 PWs) bands (ev): -12.1088 -12.1088 -8.1103 -8.1103 -6.6972 -6.6972 -5.8784 -5.8784 3.4947 3.4947 4.3828 4.3828 5.5236 5.5236 6.8675 6.8675 7.7491 7.7491 8.0239 8.0239 9.2764 9.2764 10.2489 10.2489 11.0755 11.0755 11.2788 11.2788 11.6210 11.6210 12.1276 12.1276 19.1108 19.1108 21.9170 21.9170 25.0788 25.0788 26.5187 26.5187 k = 0.0000 0.3357 0.1877 ( 1418 PWs) bands (ev): -12.1005 -12.1005 -8.0960 -8.0960 -6.7030 -6.7030 -5.9296 -5.9296 3.5588 3.5588 4.4751 4.4751 5.5288 5.5288 6.7813 6.7813 7.7488 7.7488 7.9999 7.9999 9.2991 9.2991 10.2767 10.2767 11.0178 11.0178 11.2737 11.2737 11.6110 11.6110 12.0989 12.0989 19.1024 19.1024 21.9493 21.9493 25.1408 25.1408 26.5252 26.5252 k = 0.0000 0.3360 0.1955 ( 1418 PWs) bands (ev): -12.0924 -12.0924 -8.0823 -8.0823 -6.7060 -6.7060 -5.9811 -5.9811 3.6221 3.6221 4.5679 4.5679 5.5338 5.5338 6.6945 6.6945 7.7485 7.7485 7.9744 7.9744 9.3225 9.3225 10.3041 10.3041 10.9617 10.9617 11.2691 11.2691 11.6014 11.6014 12.0703 12.0703 19.0949 19.0949 21.9799 21.9799 25.2026 25.2026 26.5312 26.5312 k = 0.0000 0.3364 0.2032 ( 1419 PWs) bands (ev): -12.0848 -12.0848 -8.0694 -8.0694 -6.7059 -6.7059 -6.0327 -6.0327 3.6843 3.6843 4.6611 4.6611 5.5386 5.5386 6.6071 6.6071 7.7483 7.7483 7.9476 7.9476 9.3464 9.3464 10.3307 10.3307 10.9074 10.9074 11.2649 11.2649 11.5920 11.5920 12.0421 12.0421 19.0883 19.0883 22.0087 22.0087 25.2636 25.2636 26.5366 26.5366 k = 0.0000 0.3367 0.2110 ( 1417 PWs) bands (ev): -12.0775 -12.0775 -8.0573 -8.0573 -6.7027 -6.7027 -6.0843 -6.0843 3.7447 3.7447 4.7546 4.7546 5.5431 5.5431 6.5194 6.5194 7.7480 7.7480 7.9197 7.9197 9.3708 9.3708 10.3564 10.3564 10.8553 10.8553 11.2611 11.2611 11.5830 11.5830 12.0144 12.0144 19.0827 19.0827 22.0356 22.0356 25.3231 25.3231 26.5413 26.5413 k = 0.0000 0.3371 0.2188 ( 1418 PWs) bands (ev): -12.0707 -12.0707 -8.0460 -8.0460 -6.6962 -6.6962 -6.1357 -6.1357 3.8028 3.8028 4.8481 4.8481 5.5473 5.5473 6.4317 6.4317 7.7478 7.7478 7.8911 7.8911 9.3954 9.3954 10.3808 10.3808 10.8058 10.8058 11.2576 11.2576 11.5744 11.5744 11.9876 11.9876 19.0780 19.0780 22.0604 22.0604 25.3802 25.3802 26.5454 26.5454 k = 0.0000 0.3374 0.2266 ( 1422 PWs) bands (ev): -12.0644 -12.0644 -8.0356 -8.0356 -6.6864 -6.6864 -6.1868 -6.1868 3.8580 3.8580 4.9415 4.9415 5.5512 5.5512 6.3441 6.3441 7.7475 7.7475 7.8620 7.8620 9.4200 9.4200 10.4034 10.4034 10.7594 10.7594 11.2546 11.2546 11.5664 11.5664 11.9621 11.9621 19.0742 19.0742 22.0831 22.0831 25.4343 25.4343 26.5488 26.5488 k = 0.0000 0.3378 0.2344 ( 1421 PWs) bands (ev): -12.0587 -12.0587 -8.0260 -8.0260 -6.6734 -6.6734 -6.2373 -6.2373 3.9096 3.9096 5.0345 5.0345 5.5547 5.5547 6.2571 6.2571 7.7474 7.7474 7.8328 7.8328 9.4443 9.4443 10.4239 10.4239 10.7166 10.7166 11.2519 11.2519 11.5591 11.5591 11.9381 11.9381 19.0714 19.0714 22.1036 22.1036 25.4842 25.4842 26.5514 26.5514 k = 0.0000 0.3381 0.2422 ( 1423 PWs) bands (ev): -12.0536 -12.0536 -8.0173 -8.0173 -6.6571 -6.6571 -6.2872 -6.2872 3.9571 3.9571 5.1267 5.1267 5.5578 5.5578 6.1712 6.1712 7.7472 7.7472 7.8039 7.8039 9.4680 9.4680 10.4415 10.4415 10.6783 10.6783 11.2495 11.2495 11.5524 11.5524 11.9160 11.9160 19.0696 19.0696 22.1219 22.1219 25.5291 25.5291 26.5533 26.5533 k = 0.0000 0.3385 0.2500 ( 1427 PWs) bands (ev): -12.0492 -12.0492 -8.0094 -8.0094 -6.6376 -6.6376 -6.3362 -6.3362 3.9998 3.9998 5.2173 5.2173 5.5606 5.5606 6.0872 6.0872 7.7470 7.7470 7.7756 7.7756 9.4907 9.4907 10.4555 10.4555 10.6453 10.6453 11.2474 11.2474 11.5466 11.5466 11.8961 11.8961 19.0687 19.0687 22.1377 22.1377 25.5678 25.5678 26.5545 26.5545 k = 0.0000 0.3389 0.2578 ( 1423 PWs) bands (ev): -12.0454 -12.0454 -8.0023 -8.0023 -6.6150 -6.6150 -6.3842 -6.3842 4.0370 4.0370 5.3052 5.3052 5.5629 5.5629 6.0065 6.0065 7.7463 7.7463 7.7492 7.7492 9.5118 9.5118 10.4649 10.4649 10.6190 10.6190 11.2457 11.2457 11.5416 11.5416 11.8788 11.8788 19.0688 19.0688 22.1512 22.1512 25.5995 25.5995 26.5550 26.5550 k = 0.0000 0.3392 0.2655 ( 1421 PWs) bands (ev): -12.0424 -12.0424 -7.9958 -7.9958 -6.5895 -6.5895 -6.4310 -6.4310 4.0681 4.0681 5.3877 5.3877 5.5648 5.5648 5.9319 5.9319 7.7228 7.7228 7.7471 7.7471 9.5309 9.5309 10.4688 10.4688 10.6004 10.6004 11.2441 11.2441 11.5375 11.5375 11.8644 11.8644 19.0698 19.0698 22.1623 22.1623 25.6231 25.6231 26.5548 26.5548 k = 0.0000 0.3396 0.2733 ( 1422 PWs) bands (ev): -12.0401 -12.0401 -7.9901 -7.9901 -6.5612 -6.5612 -6.4762 -6.4762 4.0926 4.0926 5.4584 5.4584 5.5662 5.5662 5.8698 5.8698 7.6992 7.6992 7.7472 7.7472 9.5474 9.5474 10.4673 10.4673 10.5897 10.5897 11.2429 11.2429 11.5344 11.5344 11.8531 11.8531 19.0716 19.0716 22.1708 22.1708 25.6379 25.6379 26.5540 26.5540 k = 0.0000 0.3399 0.2811 ( 1422 PWs) bands (ev): -12.0386 -12.0386 -7.9850 -7.9850 -6.5325 -6.5325 -6.5177 -6.5177 4.1098 4.1098 5.5029 5.5029 5.5672 5.5672 5.8348 5.8348 7.6778 7.6778 7.7473 7.7473 9.5606 9.5606 10.4624 10.4624 10.5855 10.5855 11.2418 11.2418 11.5323 11.5323 11.8452 11.8452 19.0744 19.0744 22.1768 22.1768 25.6432 25.6432 26.5526 26.5526 k = 0.5000 0.3130 0.3108 ( 1442 PWs) bands (ev): -9.8404 -9.8404 -6.4087 -6.4087 -5.8743 -5.8743 -5.2555 -5.2555 -1.3220 -1.3220 1.9330 1.9330 3.0963 3.0963 4.4644 4.4644 7.8268 7.8268 8.5443 8.5443 8.8353 8.8353 9.3767 9.3767 10.7683 10.7683 11.2510 11.2510 11.7086 11.7086 12.4149 12.4149 20.6136 20.6136 24.0566 24.0566 26.0118 26.0118 26.0588 26.0588 k = 0.5000 0.3052 0.3108 ( 1440 PWs) bands (ev): -9.8409 -9.8409 -6.4089 -6.4089 -5.8777 -5.8777 -5.2550 -5.2550 -1.3177 -1.3177 1.9393 1.9393 3.1029 3.1029 4.4699 4.4699 7.8203 7.8203 8.5462 8.5462 8.7789 8.7789 9.4248 9.4248 10.7643 10.7643 11.2471 11.2471 11.7049 11.7049 12.4065 12.4065 20.6132 20.6132 24.0515 24.0515 25.9997 25.9997 26.0570 26.0570 k = 0.5000 0.2974 0.3108 ( 1438 PWs) bands (ev): -9.8417 -9.8417 -6.4088 -6.4088 -5.8812 -5.8812 -5.2565 -5.2565 -1.3096 -1.3096 1.9478 1.9478 3.1105 3.1105 4.4790 4.4790 7.7959 7.7959 8.5634 8.5634 8.7190 8.7190 9.4737 9.4737 10.7582 10.7582 11.2414 11.2414 11.6990 11.6990 12.3957 12.3957 20.6126 20.6126 24.0419 24.0419 25.9828 25.9828 26.0482 26.0482 k = 0.5000 0.2896 0.3108 ( 1438 PWs) bands (ev): -9.8429 -9.8429 -6.4086 -6.4086 -5.8849 -5.8849 -5.2598 -5.2598 -1.2976 -1.2976 1.9583 1.9583 3.1191 3.1191 4.4916 4.4916 7.7563 7.7563 8.5930 8.5930 8.6570 8.6570 9.5223 9.5223 10.7499 10.7499 11.2338 11.2338 11.6907 11.6907 12.3825 12.3825 20.6119 20.6119 24.0278 24.0278 25.9612 25.9612 26.0362 26.0362 k = 0.5000 0.2817 0.3108 ( 1436 PWs) bands (ev): -9.8444 -9.8444 -6.4082 -6.4082 -5.8887 -5.8887 -5.2649 -5.2649 -1.2818 -1.2818 1.9709 1.9709 3.1287 3.1287 4.5077 4.5077 7.7049 7.7049 8.5917 8.5917 8.6336 8.6336 9.5702 9.5702 10.7396 10.7396 11.2246 11.2246 11.6802 11.6802 12.3669 12.3669 20.6112 20.6112 24.0093 24.0093 25.9352 25.9352 26.0238 26.0238 k = 0.5000 0.2739 0.3108 ( 1436 PWs) bands (ev): -9.8462 -9.8462 -6.4077 -6.4077 -5.8926 -5.8926 -5.2718 -5.2718 -1.2624 -1.2624 1.9855 1.9855 3.1393 3.1393 4.5271 4.5271 7.6445 7.6445 8.5270 8.5270 8.6787 8.6787 9.6167 9.6167 10.7270 10.7270 11.2138 11.2138 11.6677 11.6677 12.3489 12.3489 20.6107 20.6107 23.9865 23.9865 25.9047 25.9047 26.0126 26.0126 k = 0.5000 0.2661 0.3108 ( 1438 PWs) bands (ev): -9.8483 -9.8483 -6.4069 -6.4069 -5.8966 -5.8966 -5.2804 -5.2804 -1.2394 -1.2394 2.0021 2.0021 3.1510 3.1510 4.5495 4.5495 7.5776 7.5776 8.4609 8.4609 8.7283 8.7283 9.6618 9.6618 10.7124 10.7124 11.2017 11.2017 11.6532 11.6532 12.3287 12.3287 20.6107 20.6107 23.9596 23.9596 25.8698 25.8698 26.0035 26.0035 k = 0.5000 0.2583 0.3108 ( 1442 PWs) bands (ev): -9.8506 -9.8506 -6.4060 -6.4060 -5.9006 -5.9006 -5.2906 -5.2906 -1.2129 -1.2129 2.0204 2.0204 3.1640 3.1640 4.5749 4.5749 7.5060 7.5060 8.3940 8.3940 8.7801 8.7801 9.7049 9.7049 10.6957 10.6957 11.1884 11.1884 11.6369 11.6369 12.3061 12.3061 20.6112 20.6112 23.9289 23.9289 25.8307 25.8307 25.9963 25.9963 k = 0.5000 0.2504 0.3108 ( 1436 PWs) bands (ev): -9.8533 -9.8533 -6.4049 -6.4049 -5.9047 -5.9047 -5.3023 -5.3023 -1.1832 -1.1832 2.0406 2.0406 3.1782 3.1782 4.6030 4.6030 7.4309 7.4309 8.3269 8.3269 8.8329 8.8329 9.7461 9.7461 10.6770 10.6770 11.1740 11.1740 11.6191 11.6191 12.2815 12.2815 20.6126 20.6126 23.8948 23.8948 25.7879 25.7879 25.9910 25.9910 k = 0.5000 0.2426 0.3108 ( 1436 PWs) bands (ev): -9.8561 -9.8561 -6.4037 -6.4037 -5.9088 -5.9088 -5.3154 -5.3154 -1.1503 -1.1503 2.0623 2.0623 3.1937 3.1937 4.6335 4.6335 7.3532 7.3532 8.2597 8.2597 8.8858 8.8858 9.7848 9.7848 10.6564 10.6564 11.1588 11.1588 11.5999 11.5999 12.2547 12.2547 20.6149 20.6149 23.8576 23.8576 25.7418 25.7418 25.9866 25.9866 k = 0.5000 0.2348 0.3108 ( 1436 PWs) bands (ev): -9.8592 -9.8592 -6.4024 -6.4024 -5.9128 -5.9128 -5.3298 -5.3298 -1.1145 -1.1145 2.0857 2.0857 3.2106 3.2106 4.6660 4.6660 7.2735 7.2735 8.1927 8.1927 8.9379 8.9379 9.8209 9.8209 10.6341 10.6341 11.1431 11.1431 11.5796 11.5796 12.2260 12.2260 20.6183 20.6183 23.8179 23.8179 25.6931 25.6931 25.9825 25.9825 k = 0.5000 0.2269 0.3108 ( 1436 PWs) bands (ev): -9.8625 -9.8625 -6.4009 -6.4009 -5.9169 -5.9169 -5.3454 -5.3454 -1.0759 -1.0759 2.1104 2.1104 3.2291 3.2291 4.7004 4.7004 7.1925 7.1925 8.1261 8.1261 8.9888 8.9888 9.8540 9.8540 10.6103 10.6103 11.1269 11.1269 11.5584 11.5584 12.1954 12.1954 20.6231 20.6231 23.7760 23.7760 25.6424 25.6424 25.9778 25.9778 k = 0.5000 0.2191 0.3108 ( 1436 PWs) bands (ev): -9.8660 -9.8660 -6.3993 -6.3993 -5.9208 -5.9208 -5.3620 -5.3620 -1.0348 -1.0348 2.1365 2.1365 3.2491 3.2491 4.7362 4.7362 7.1106 7.1106 8.0604 8.0604 9.0381 9.0381 9.8836 9.8836 10.5852 10.5852 11.1106 11.1106 11.5365 11.5365 12.1631 12.1631 20.6293 20.6293 23.7325 23.7325 25.5904 25.5904 25.9717 25.9717 k = 0.5000 0.2113 0.3108 ( 1432 PWs) bands (ev): -9.8697 -9.8697 -6.3976 -6.3976 -5.9246 -5.9246 -5.3796 -5.3796 -0.9913 -0.9913 2.1638 2.1638 3.2708 3.2708 4.7730 4.7730 7.0281 7.0281 7.9959 7.9959 9.0853 9.0853 9.9092 9.9092 10.5595 10.5595 11.0943 11.0943 11.5142 11.5142 12.1293 12.1293 20.6370 20.6370 23.6878 23.6878 25.5375 25.5375 25.9633 25.9633 k = 0.5000 0.2035 0.3108 ( 1432 PWs) bands (ev): -9.8735 -9.8735 -6.3958 -6.3958 -5.9282 -5.9282 -5.3980 -5.3980 -0.9457 -0.9457 2.1920 2.1920 3.2941 3.2941 4.8104 4.8104 6.9454 6.9454 7.9329 7.9329 9.1301 9.1301 9.9301 9.9301 10.5335 10.5335 11.0784 11.0784 11.4918 11.4918 12.0941 12.0941 20.6462 20.6462 23.6424 23.6424 25.4843 25.4843 25.9521 25.9521 k = 0.5000 0.1956 0.3108 ( 1430 PWs) bands (ev): -9.8774 -9.8774 -6.3940 -6.3940 -5.9317 -5.9317 -5.4170 -5.4170 -0.8982 -0.8982 2.2212 2.2212 3.3193 3.3193 4.8479 4.8479 6.8627 6.8627 7.8718 7.8718 9.1724 9.1724 9.9454 9.9454 10.5082 10.5082 11.0630 11.0630 11.4696 11.4696 12.0577 12.0577 20.6571 20.6571 23.5966 23.5966 25.4311 25.4311 25.9376 25.9376 k = 0.5000 0.1878 0.3108 ( 1426 PWs) bands (ev): -9.8814 -9.8814 -6.3921 -6.3921 -5.9349 -5.9349 -5.4367 -5.4367 -0.8490 -0.8490 2.2511 2.2511 3.3462 3.3462 4.8851 4.8851 6.7803 6.7803 7.8132 7.8132 9.2117 9.2117 9.9541 9.9541 10.4845 10.4845 11.0485 11.0485 11.4478 11.4478 12.0203 12.0203 20.6696 20.6696 23.5509 23.5509 25.3782 25.3782 25.9193 25.9193 k = 0.5000 0.1800 0.3108 ( 1428 PWs) bands (ev): -9.8855 -9.8855 -6.3902 -6.3902 -5.9379 -5.9379 -5.4569 -5.4569 -0.7984 -0.7984 2.2815 2.2815 3.3749 3.3749 4.9214 4.9214 6.6985 6.6985 7.7574 7.7574 9.2480 9.2480 9.9551 9.9551 10.4635 10.4635 11.0349 11.0349 11.4266 11.4266 11.9822 11.9822 20.6836 20.6836 23.5056 23.5056 25.3260 25.3260 25.8973 25.8973 k = 0.5000 0.1722 0.3108 ( 1426 PWs) bands (ev): -9.8897 -9.8897 -6.3882 -6.3882 -5.9406 -5.9406 -5.4774 -5.4774 -0.7466 -0.7466 2.3123 2.3123 3.4055 3.4055 4.9561 4.9561 6.6174 6.6174 7.7050 7.7050 9.2809 9.2809 9.9473 9.9473 10.4462 10.4462 11.0226 11.0226 11.4062 11.4062 11.9435 11.9435 20.6992 20.6992 23.4610 23.4610 25.2747 25.2747 25.8716 25.8716 k = 0.5000 0.1643 0.3108 ( 1430 PWs) bands (ev): -9.8938 -9.8938 -6.3863 -6.3863 -5.9430 -5.9430 -5.4982 -5.4982 -0.6940 -0.6940 2.3433 2.3433 3.4380 3.4380 4.9888 4.9888 6.5375 6.5375 7.6566 7.6566 9.3105 9.3105 9.9303 9.9303 10.4332 10.4332 11.0117 11.0117 11.3869 11.3869 11.9045 11.9045 20.7162 20.7162 23.4173 23.4173 25.2245 25.2245 25.8423 25.8423 k = 0.5000 0.1565 0.3108 ( 1432 PWs) bands (ev): -9.8980 -9.8980 -6.3843 -6.3843 -5.9450 -5.9450 -5.5191 -5.5191 -0.6407 -0.6407 2.3743 2.3743 3.4723 3.4723 5.0187 5.0187 6.4589 6.4589 7.6127 7.6127 9.3365 9.3365 9.9040 9.9040 10.4246 10.4246 11.0024 11.0024 11.3688 11.3688 11.8653 11.8653 20.7345 20.7345 23.3749 23.3749 25.1756 25.1756 25.8097 25.8097 k = 0.5000 0.1487 0.3108 ( 1432 PWs) bands (ev): -9.9021 -9.9021 -6.3823 -6.3823 -5.9467 -5.9467 -5.5401 -5.5401 -0.5870 -0.5870 2.4052 2.4052 3.5085 3.5085 5.0451 5.0451 6.3818 6.3818 7.5740 7.5740 9.3590 9.3590 9.8688 9.8688 10.4201 10.4201 10.9949 10.9949 11.3520 11.3520 11.8263 11.8263 20.7540 20.7540 23.3338 23.3338 25.1283 25.1283 25.7742 25.7742 k = 0.5000 0.1409 0.3108 ( 1428 PWs) bands (ev): -9.9062 -9.9062 -6.3804 -6.3804 -5.9479 -5.9479 -5.5611 -5.5611 -0.5333 -0.5333 2.4357 2.4357 3.5466 3.5466 5.0675 5.0675 6.3066 6.3066 7.5410 7.5410 9.3780 9.3780 9.8259 9.8259 10.4189 10.4189 10.9892 10.9892 11.3367 11.3367 11.7876 11.7876 20.7745 20.7745 23.2944 23.2944 25.0826 25.0826 25.7363 25.7363 k = 0.5000 0.1330 0.3108 ( 1432 PWs) bands (ev): -9.9102 -9.9102 -6.3785 -6.3785 -5.9486 -5.9486 -5.5819 -5.5819 -0.4798 -0.4798 2.4656 2.4656 3.5864 3.5864 5.0853 5.0853 6.2335 6.2335 7.5143 7.5143 9.3935 9.3935 9.7762 9.7762 10.4201 10.4201 10.9855 10.9855 11.3228 11.3228 11.7493 11.7493 20.7957 20.7957 23.2566 23.2566 25.0387 25.0387 25.6965 25.6965 k = 0.5000 0.1252 0.3108 ( 1428 PWs) bands (ev): -9.9142 -9.9142 -6.3767 -6.3767 -5.9489 -5.9489 -5.6026 -5.6026 -0.4268 -0.4268 2.4948 2.4948 3.6280 3.6280 5.0978 5.0978 6.1627 6.1627 7.4944 7.4944 9.4056 9.4056 9.7210 9.7210 10.4229 10.4229 10.9837 10.9837 11.3104 11.3104 11.7117 11.7117 20.8177 20.8177 23.2208 23.2208 24.9968 24.9968 25.6552 25.6552 k = 0.5000 0.1174 0.3108 ( 1424 PWs) bands (ev): -9.9180 -9.9180 -6.3749 -6.3749 -5.9486 -5.9486 -5.6231 -5.6231 -0.3747 -0.3747 2.5230 2.5230 3.6712 3.6712 5.1047 5.1047 6.0945 6.0945 7.4815 7.4815 9.4146 9.4146 9.6611 9.6611 10.4266 10.4266 10.9839 10.9839 11.2994 11.2994 11.6749 11.6749 20.8400 20.8400 23.1869 23.1869 24.9570 24.9570 25.6131 25.6131 k = 0.5000 0.1096 0.3108 ( 1422 PWs) bands (ev): -9.9216 -9.9216 -6.3732 -6.3732 -5.9478 -5.9478 -5.6432 -5.6432 -0.3237 -0.3237 2.5501 2.5501 3.7161 3.7161 5.1056 5.1056 6.0292 6.0292 7.4759 7.4759 9.4206 9.4206 9.5977 9.5977 10.4308 10.4308 10.9858 10.9858 11.2899 11.2899 11.6392 11.6392 20.8625 20.8625 23.1550 23.1550 24.9193 24.9193 25.5707 25.5707 k = 0.5000 0.1017 0.3108 ( 1418 PWs) bands (ev): -9.9251 -9.9251 -6.3715 -6.3715 -5.9464 -5.9464 -5.6629 -5.6629 -0.2742 -0.2742 2.5760 2.5760 3.7624 3.7624 5.1004 5.1004 5.9671 5.9671 7.4776 7.4776 9.4239 9.4239 9.5314 9.5314 10.4349 10.4349 10.9895 10.9895 11.2817 11.2817 11.6046 11.6046 20.8849 20.8849 23.1253 23.1253 24.8838 24.8838 25.5285 25.5285 k = 0.5000 0.0939 0.3108 ( 1420 PWs) bands (ev): -9.9284 -9.9284 -6.3700 -6.3700 -5.9444 -5.9444 -5.6822 -5.6822 -0.2265 -0.2265 2.6004 2.6004 3.8100 3.8100 5.0892 5.0892 5.9083 5.9083 7.4865 7.4865 9.4247 9.4247 9.4632 9.4632 10.4389 10.4389 10.9948 10.9948 11.2748 11.2748 11.5713 11.5713 20.9070 20.9070 23.0976 23.0976 24.8507 24.8507 25.4870 25.4870 k = 0.5000 0.0861 0.3108 ( 1420 PWs) bands (ev): -9.9316 -9.9316 -6.3685 -6.3685 -5.9418 -5.9418 -5.7011 -5.7011 -0.1809 -0.1809 2.6233 2.6233 3.8589 3.8589 5.0721 5.0721 5.8532 5.8532 7.5021 7.5021 9.3923 9.3923 9.4248 9.4248 10.4426 10.4426 11.0015 11.0015 11.2691 11.2691 11.5394 11.5394 20.9286 20.9286 23.0723 23.0723 24.8200 24.8200 25.4468 25.4468 k = 0.5000 0.0783 0.3108 ( 1416 PWs) bands (ev): -9.9345 -9.9345 -6.3672 -6.3672 -5.9385 -5.9385 -5.7193 -5.7193 -0.1379 -0.1379 2.6444 2.6444 3.9087 3.9087 5.0495 5.0495 5.8020 5.8020 7.5238 7.5238 9.3223 9.3223 9.4220 9.4220 10.4458 10.4458 11.0094 11.0094 11.2644 11.2644 11.5090 11.5090 20.9493 20.9493 23.0491 23.0491 24.7917 24.7917 25.4083 25.4083 k = 0.5000 0.0704 0.3108 ( 1416 PWs) bands (ev): -9.9372 -9.9372 -6.3659 -6.3659 -5.9346 -5.9346 -5.7371 -5.7371 -0.0977 -0.0977 2.6638 2.6638 3.9592 3.9592 5.0221 5.0221 5.7549 5.7549 7.5509 7.5509 9.2520 9.2520 9.4183 9.4183 10.4486 10.4486 11.0183 11.0183 11.2606 11.2606 11.4803 11.4803 20.9689 20.9689 23.0281 23.0281 24.7660 24.7660 25.3720 25.3720 k = 0.5000 0.0626 0.3108 ( 1418 PWs) bands (ev): -9.9396 -9.9396 -6.3648 -6.3648 -5.9300 -5.9300 -5.7542 -5.7542 -0.0606 -0.0606 2.6812 2.6812 4.0101 4.0101 4.9905 4.9905 5.7121 5.7121 7.5824 7.5824 9.1828 9.1828 9.4138 9.4138 10.4509 10.4509 11.0278 11.0278 11.2576 11.2576 11.4533 11.4533 20.9873 20.9873 23.0094 23.0094 24.7429 24.7429 25.3382 25.3382 k = 0.5000 0.0548 0.3108 ( 1416 PWs) bands (ev): -9.9418 -9.9418 -6.3638 -6.3638 -5.9247 -5.9247 -5.7706 -5.7706 -0.0270 -0.0270 2.6967 2.6967 4.0609 4.0609 4.9554 4.9554 5.6739 5.6739 7.6170 7.6170 9.1157 9.1157 9.4089 9.4089 10.4529 10.4529 11.0379 11.0379 11.2553 11.2553 11.4283 11.4283 21.0041 21.0041 22.9929 22.9929 24.7224 24.7224 25.3074 25.3074 k = 0.5000 0.0470 0.3108 ( 1414 PWs) bands (ev): -9.9437 -9.9437 -6.3629 -6.3629 -5.9186 -5.9186 -5.7864 -5.7864 0.0029 0.0029 2.7101 2.7101 4.1111 4.1111 4.9180 4.9180 5.6404 5.6404 7.6533 7.6533 9.0518 9.0518 9.4038 9.4038 10.4545 10.4545 11.0480 11.0480 11.2536 11.2536 11.4055 11.4055 21.0191 21.0191 22.9787 22.9787 24.7045 24.7045 25.2800 25.2800 k = 0.5000 0.0391 0.3108 ( 1414 PWs) bands (ev): -9.9453 -9.9453 -6.3621 -6.3621 -5.9118 -5.9118 -5.8015 -5.8015 0.0287 0.0287 2.7215 2.7215 4.1597 4.1597 4.8795 4.8795 5.6118 5.6118 7.6896 7.6896 8.9926 8.9926 9.3990 9.3990 10.4557 10.4557 11.0579 11.0579 11.2523 11.2523 11.3851 11.3851 21.0322 21.0322 22.9667 22.9667 24.6894 24.6894 25.2562 25.2562 k = 0.5000 0.0313 0.3108 ( 1414 PWs) bands (ev): -9.9467 -9.9467 -6.3615 -6.3615 -5.9043 -5.9043 -5.8159 -5.8159 0.0501 0.0501 2.7309 2.7309 4.2054 4.2054 4.8414 4.8414 5.5883 5.5883 7.7241 7.7241 8.9397 8.9397 9.3947 9.3947 10.4566 10.4566 11.0671 11.0671 11.2514 11.2514 11.3673 11.3673 21.0432 21.0432 22.9569 22.9569 24.6769 24.6769 25.2363 25.2363 k = 0.5000 0.0235 0.3108 ( 1414 PWs) bands (ev): -9.9477 -9.9477 -6.3610 -6.3610 -5.8960 -5.8960 -5.8295 -5.8295 0.0670 0.0670 2.7381 2.7381 4.2465 4.2465 4.8061 4.8061 5.5698 5.5698 7.7545 7.7545 8.8953 8.8953 9.3911 9.3911 10.4573 10.4573 11.0752 11.0752 11.2508 11.2508 11.3528 11.3528 21.0519 21.0519 22.9493 22.9493 24.6672 24.6672 25.2207 25.2207 k = 0.5000 0.0157 0.3108 ( 1412 PWs) bands (ev): -9.9485 -9.9485 -6.3607 -6.3607 -5.8871 -5.8871 -5.8422 -5.8422 0.0793 0.0793 2.7433 2.7433 4.2801 4.2801 4.7763 4.7763 5.5566 5.5566 7.7785 7.7785 8.8614 8.8614 9.3883 9.3883 10.4577 10.4577 11.0815 11.0815 11.2504 11.2504 11.3418 11.3418 21.0582 21.0582 22.9439 22.9439 24.6603 24.6603 25.2093 25.2093 k = 0.5000 0.0078 0.3108 ( 1412 PWs) bands (ev): -9.9490 -9.9490 -6.3605 -6.3605 -5.8776 -5.8776 -5.8540 -5.8540 0.0867 0.0867 2.7464 2.7464 4.3027 4.3027 4.7560 4.7560 5.5486 5.5486 7.7940 7.7940 8.8400 8.8400 9.3867 9.3867 10.4580 10.4580 11.0856 11.0856 11.2502 11.2502 11.3350 11.3350 21.0620 21.0620 22.9406 22.9406 24.6561 24.6561 25.2025 25.2025 k = 0.5000-0.0000 0.3108 ( 1412 PWs) bands (ev): -9.9491 -9.9491 -6.3604 -6.3604 -5.8704 -5.8704 -5.8620 -5.8620 0.0891 0.0891 2.7474 2.7474 4.3108 4.3108 4.7487 4.7487 5.5459 5.5459 7.7993 7.7993 8.8327 8.8327 9.3861 9.3861 10.4581 10.4581 11.0870 11.0870 11.2501 11.2501 11.3327 11.3327 21.0633 21.0633 22.9396 22.9396 24.6547 24.6547 25.2002 25.2002 k = 0.5000-0.0000 0.3108 ( 1412 PWs) bands (ev): -9.9491 -9.9491 -6.3604 -6.3604 -5.8704 -5.8704 -5.8620 -5.8620 0.0891 0.0891 2.7474 2.7474 4.3108 4.3108 4.7487 4.7487 5.5459 5.5459 7.7993 7.7993 8.8327 8.8327 9.3861 9.3861 10.4581 10.4581 11.0870 11.0870 11.2501 11.2501 11.3327 11.3327 21.0633 21.0633 22.9396 22.9396 24.6547 24.6547 25.2002 25.2002 k = 0.5000-0.0000 0.3028 ( 1410 PWs) bands (ev): -9.9493 -9.9493 -6.3601 -6.3601 -5.9110 -5.9110 -5.8211 -5.8211 0.0893 0.0893 2.7481 2.7481 4.3064 4.3064 4.7545 4.7545 5.5462 5.5462 7.7983 7.7983 8.8343 8.8343 9.3848 9.3848 10.4559 10.4559 11.0835 11.0835 11.2481 11.2481 11.3331 11.3331 21.0666 21.0666 22.9427 22.9427 24.6588 24.6588 25.2005 25.2005 k = 0.5000-0.0000 0.2948 ( 1410 PWs) bands (ev): -9.9500 -9.9500 -6.3590 -6.3590 -5.9553 -5.9553 -5.7762 -5.7762 0.0900 0.0900 2.7500 2.7500 4.2941 4.2941 4.7714 4.7714 5.5473 5.5473 7.7954 7.7954 8.8390 8.8390 9.3811 9.3811 10.4495 10.4495 11.0731 11.0731 11.2421 11.2421 11.3344 11.3344 21.0765 21.0765 22.9520 22.9520 24.6711 24.6711 25.2014 25.2014 k = 0.5000-0.0000 0.2869 ( 1410 PWs) bands (ev): -9.9510 -9.9510 -6.3573 -6.3573 -5.9992 -5.9992 -5.7311 -5.7311 0.0910 0.0910 2.7533 2.7533 4.2753 4.2753 4.7977 4.7977 5.5490 5.5490 7.7906 7.7906 8.8466 8.8466 9.3747 9.3747 10.4388 10.4388 11.0563 11.0563 11.2322 11.2322 11.3362 11.3362 21.0930 21.0930 22.9675 22.9675 24.6914 24.6914 25.2029 25.2029 k = 0.5000-0.0000 0.2789 ( 1414 PWs) bands (ev): -9.9525 -9.9525 -6.3549 -6.3549 -6.0427 -6.0427 -5.6860 -5.6860 0.0925 0.0925 2.7576 2.7576 4.2520 4.2520 4.8315 4.8315 5.5514 5.5514 7.7840 7.7840 8.8572 8.8572 9.3657 9.3657 10.4239 10.4239 11.0336 11.0336 11.2182 11.2182 11.3381 11.3381 21.1157 21.1157 22.9891 22.9891 24.7197 24.7197 25.2052 25.2052 k = 0.5000-0.0000 0.2709 ( 1416 PWs) bands (ev): -9.9544 -9.9544 -6.3518 -6.3518 -6.0856 -6.0856 -5.6410 -5.6410 0.0945 0.0945 2.7631 2.7631 4.2258 4.2258 4.8712 4.8712 5.5547 5.5547 7.7759 7.7759 8.8704 8.8704 9.3539 9.3539 10.4050 10.4050 11.0059 11.0059 11.2005 11.2005 11.3397 11.3397 21.1444 21.1444 23.0167 23.0167 24.7560 24.7560 25.2083 25.2083 k = 0.5000-0.0000 0.2630 ( 1412 PWs) bands (ev): -9.9567 -9.9567 -6.3482 -6.3482 -6.1280 -6.1280 -5.5961 -5.5961 0.0970 0.0970 2.7696 2.7696 4.1980 4.1980 4.9154 4.9154 5.5590 5.5590 7.7664 7.7664 8.8860 8.8860 9.3393 9.3393 10.3821 10.3821 10.9736 10.9736 11.1790 11.1790 11.3409 11.3409 21.1789 21.1789 23.0502 23.0502 24.8000 24.8000 25.2124 25.2124 k = 0.5000-0.0000 0.2550 ( 1412 PWs) bands (ev): -9.9593 -9.9593 -6.3438 -6.3438 -6.1697 -6.1697 -5.5515 -5.5515 0.1000 0.1000 2.7770 2.7770 4.1695 4.1695 4.9632 4.9632 5.5643 5.5643 7.7558 7.7558 8.9039 8.9039 9.3217 9.3217 10.3555 10.3555 10.9373 10.9373 11.1538 11.1538 11.3416 11.3416 21.2187 21.2187 23.0894 23.0894 24.8516 24.8516 25.2175 25.2175 k = 0.5000-0.0000 0.2470 ( 1412 PWs) bands (ev): -9.9623 -9.9623 -6.3390 -6.3390 -6.2107 -6.2107 -5.5072 -5.5072 0.1036 0.1036 2.7851 2.7851 4.1408 4.1408 5.0139 5.0139 5.5707 5.5707 7.7443 7.7443 8.9236 8.9236 9.3008 9.3008 10.3254 10.3254 10.8974 10.8974 11.1250 11.1250 11.3417 11.3417 21.2634 21.2634 23.1341 23.1341 24.9105 24.9105 25.2240 25.2240 k = 0.5000-0.0000 0.2391 ( 1412 PWs) bands (ev): -9.9656 -9.9656 -6.3335 -6.3335 -6.2510 -6.2510 -5.4634 -5.4634 0.1077 0.1077 2.7938 2.7938 4.1124 4.1124 5.0671 5.0671 5.5785 5.5785 7.7322 7.7322 8.9450 8.9450 9.2767 9.2767 10.2918 10.2918 10.8545 10.8545 11.0928 11.0928 11.3415 11.3415 21.3124 21.3124 23.1841 23.1841 24.9766 24.9766 25.2320 25.2320 k = 0.5000-0.0000 0.2311 ( 1414 PWs) bands (ev): -9.9693 -9.9693 -6.3276 -6.3276 -6.2904 -6.2904 -5.4201 -5.4201 0.1125 0.1125 2.8028 2.8028 4.0846 4.0846 5.1223 5.1223 5.5878 5.5878 7.7197 7.7197 8.9678 8.9678 9.2490 9.2490 10.2552 10.2552 10.8089 10.8089 11.0573 11.0573 11.3410 11.3410 21.3652 21.3652 23.2392 23.2392 25.0496 25.0496 25.2417 25.2417 k = 0.5000-0.0000 0.2231 ( 1414 PWs) bands (ev): -9.9732 -9.9732 -6.3290 -6.3290 -6.3212 -6.3212 -5.3773 -5.3773 0.1179 0.1179 2.8120 2.8120 4.0577 4.0577 5.1792 5.1792 5.5987 5.5987 7.7069 7.7069 8.9917 8.9917 9.2178 9.2178 10.2157 10.2157 10.7611 10.7611 11.0187 11.0187 11.3405 11.3405 21.4213 21.4213 23.2992 23.2992 25.1292 25.1292 25.2535 25.2535 k = 0.5000-0.0000 0.2152 ( 1412 PWs) bands (ev): -9.9773 -9.9773 -6.3666 -6.3666 -6.3144 -6.3144 -5.3353 -5.3353 0.1240 0.1240 2.8212 2.8212 4.0317 4.0317 5.2376 5.2376 5.6115 5.6115 7.6941 7.6941 9.0165 9.0165 9.1827 9.1827 10.1736 10.1736 10.7113 10.7113 10.9770 10.9770 11.3401 11.3401 21.4799 21.4799 23.3638 23.3638 25.2151 25.2151 25.2676 25.2676 k = 0.5000-0.0000 0.2072 ( 1412 PWs) bands (ev): -9.9817 -9.9817 -6.4032 -6.4032 -6.3072 -6.3072 -5.2940 -5.2940 0.1308 0.1308 2.8303 2.8303 4.0068 4.0068 5.2972 5.2972 5.6263 5.6263 7.6815 7.6815 9.0419 9.0419 9.1439 9.1439 10.1292 10.1292 10.6601 10.6601 10.9327 10.9327 11.3401 11.3401 21.5404 21.5404 23.4326 23.4326 25.2843 25.2843 25.3071 25.3071 k = 0.5000-0.0000 0.1992 ( 1412 PWs) bands (ev): -9.9863 -9.9863 -6.4388 -6.4388 -6.2997 -6.2997 -5.2535 -5.2535 0.1384 0.1384 2.8390 2.8390 3.9830 3.9830 5.3580 5.3580 5.6433 5.6433 7.6692 7.6692 9.0674 9.0674 9.1014 9.1014 10.0828 10.0828 10.6077 10.6077 10.8857 10.8857 11.3405 11.3405 21.6021 21.6021 23.5055 23.5055 25.3038 25.3038 25.4047 25.4047 k = 0.5000-0.0000 0.1912 ( 1414 PWs) bands (ev): -9.9910 -9.9910 -6.4734 -6.4734 -6.2919 -6.2919 -5.2141 -5.2141 0.1467 0.1467 2.8471 2.8471 3.9605 3.9605 5.4196 5.4196 5.6627 5.6627 7.6574 7.6574 9.0540 9.0540 9.0940 9.0940 10.0347 10.0347 10.5545 10.5545 10.8364 10.8364 11.3417 11.3417 21.6644 21.6644 23.5821 23.5821 25.3266 25.3266 25.5077 25.5077 k = 0.5000-0.0000 0.1833 ( 1410 PWs) bands (ev): -9.9959 -9.9959 -6.5068 -6.5068 -6.2839 -6.2839 -5.1756 -5.1756 0.1557 0.1557 2.8544 2.8544 3.9391 3.9391 5.4818 5.4818 5.6847 5.6847 7.6462 7.6462 9.0036 9.0036 9.1197 9.1197 9.9853 9.9853 10.5009 10.5009 10.7850 10.7850 11.3436 11.3436 21.7265 21.7265 23.6622 23.6622 25.3528 25.3528 25.6157 25.6157 k = 0.5000-0.0000 0.1753 ( 1410 PWs) bands (ev): -10.0009 -10.0009 -6.5391 -6.5391 -6.2757 -6.2757 -5.1382 -5.1382 0.1654 0.1654 2.8609 2.8609 3.9190 3.9190 5.5446 5.5446 5.7093 5.7093 7.6357 7.6357 8.9491 8.9491 9.1452 9.1452 9.9348 9.9348 10.4471 10.4471 10.7318 10.7318 11.3464 11.3464 21.7879 21.7879 23.7454 23.7454 25.3826 25.3826 25.7284 25.7284 k = 0.5000-0.0000 0.1673 ( 1416 PWs) bands (ev): -10.0059 -10.0059 -6.5702 -6.5702 -6.2675 -6.2675 -5.1020 -5.1020 0.1759 0.1759 2.8664 2.8664 3.9001 3.9001 5.6078 5.6078 5.7368 5.7368 7.6261 7.6261 8.8909 8.8909 9.1702 9.1702 9.8837 9.8837 10.3936 10.3936 10.6769 10.6769 11.3501 11.3501 21.8479 21.8479 23.8313 23.8313 25.4164 25.4164 25.8453 25.8453 k = 0.5000-0.0000 0.1594 ( 1412 PWs) bands (ev): -10.0109 -10.0109 -6.6001 -6.6001 -6.2591 -6.2591 -5.0670 -5.0670 0.1870 0.1870 2.8707 2.8707 3.8824 3.8824 5.6710 5.6710 5.7673 5.7673 7.6173 7.6173 8.8291 8.8291 9.1945 9.1945 9.8323 9.8323 10.3406 10.3406 10.6209 10.6209 11.3547 11.3547 21.9060 21.9060 23.9197 23.9197 25.4543 25.4543 25.9661 25.9661 k = 0.5000-0.0000 0.1514 ( 1416 PWs) bands (ev): -10.0160 -10.0160 -6.6287 -6.6287 -6.2508 -6.2508 -5.0333 -5.0333 0.1988 0.1988 2.8739 2.8739 3.8659 3.8659 5.7342 5.7342 5.8008 5.8008 7.6095 7.6095 8.7639 8.7639 9.2178 9.2178 9.7809 9.7809 10.2884 10.2884 10.5639 10.5639 11.3602 11.3602 21.9616 21.9616 24.0103 24.0103 25.4962 25.4962 26.0905 26.0905 k = 0.5000-0.0000 0.1434 ( 1414 PWs) bands (ev): -10.0210 -10.0210 -6.6561 -6.6561 -6.2425 -6.2425 -5.0010 -5.0010 0.2111 0.2111 2.8758 2.8758 3.8505 3.8505 5.7970 5.7970 5.8376 5.8376 7.6026 7.6026 8.6954 8.6954 9.2399 9.2399 9.7301 9.7301 10.2372 10.2372 10.5063 10.5063 11.3665 11.3665 22.0143 22.0143 24.1027 24.1027 25.5422 25.5422 26.2180 26.2180 k = 0.5000-0.0000 0.1355 ( 1414 PWs) bands (ev): -10.0259 -10.0259 -6.6821 -6.6821 -6.2343 -6.2343 -4.9702 -4.9702 0.2239 0.2239 2.8764 2.8764 3.8364 3.8364 5.8592 5.8592 5.8776 5.8776 7.5967 7.5967 8.6240 8.6240 9.2605 9.2605 9.6801 9.6801 10.1874 10.1874 10.4485 10.4485 11.3735 11.3735 22.0638 22.0638 24.1965 24.1965 25.5922 25.5922 26.3482 26.3482 k = 0.5000-0.0000 0.1275 ( 1414 PWs) bands (ev): -10.0308 -10.0308 -6.7067 -6.7067 -6.2262 -6.2262 -4.9408 -4.9408 0.2371 0.2371 2.8759 2.8759 3.8233 3.8233 5.9181 5.9181 5.9233 5.9233 7.5918 7.5918 8.5499 8.5499 9.2793 9.2793 9.6315 9.6315 10.1392 10.1392 10.3909 10.3909 11.3812 11.3812 22.1098 22.1098 24.2914 24.2914 25.6458 25.6458 26.4808 26.4808 k = 0.5000-0.0000 0.1195 ( 1412 PWs) bands (ev): -10.0355 -10.0355 -6.7300 -6.7300 -6.2184 -6.2184 -4.9130 -4.9130 0.2507 0.2507 2.8741 2.8741 3.8113 3.8113 5.9659 5.9659 5.9822 5.9822 7.5878 7.5878 8.4734 8.4734 9.2959 9.2959 9.5847 9.5847 10.0928 10.0928 10.3339 10.3339 11.3894 11.3894 22.1520 22.1520 24.3870 24.3870 25.7027 25.7027 26.6153 26.6153 k = 0.5000-0.0000 0.1116 ( 1412 PWs) bands (ev): -10.0400 -10.0400 -6.7520 -6.7520 -6.2108 -6.2108 -4.8868 -4.8868 0.2644 0.2644 2.8712 2.8712 3.8003 3.8003 6.0152 6.0152 6.0413 6.0413 7.5848 7.5848 8.3948 8.3948 9.3099 9.3099 9.5403 9.5403 10.0485 10.0485 10.2782 10.2782 11.3979 11.3979 22.1905 22.1905 24.4830 24.4830 25.7621 25.7621 26.7512 26.7512 k = 0.5000-0.0000 0.1036 ( 1412 PWs) bands (ev): -10.0444 -10.0444 -6.7724 -6.7724 -6.2035 -6.2035 -4.8623 -4.8623 0.2781 0.2781 2.8674 2.8674 3.7903 3.7903 6.0673 6.0673 6.0990 6.0990 7.5826 7.5826 8.3145 8.3145 9.3207 9.3207 9.4991 9.4991 10.0063 10.0063 10.2241 10.2241 11.4067 11.4067 22.2251 22.2251 24.5790 24.5790 25.8232 25.8232 26.8880 26.8880 k = 0.5000-0.0000 0.0956 ( 1414 PWs) bands (ev): -10.0485 -10.0485 -6.7915 -6.7915 -6.1966 -6.1966 -4.8394 -4.8394 0.2918 0.2918 2.8627 2.8627 3.7813 3.7813 6.1222 6.1222 6.1547 6.1547 7.5812 7.5812 8.2328 8.2328 9.3272 9.3272 9.4620 9.4620 9.9665 9.9665 10.1723 10.1723 11.4155 11.4155 22.2560 22.2560 24.6745 24.6745 25.8851 25.8851 27.0254 27.0254 k = 0.5000-0.0000 0.0877 ( 1416 PWs) bands (ev): -10.0525 -10.0525 -6.8091 -6.8091 -6.1900 -6.1900 -4.8182 -4.8182 0.3052 0.3052 2.8574 2.8574 3.7732 3.7732 6.1795 6.1795 6.2081 6.2081 7.5805 7.5805 8.1501 8.1501 9.3280 9.3280 9.4307 9.4307 9.9294 9.9294 10.1234 10.1234 11.4243 11.4243 22.2833 22.2833 24.7690 24.7690 25.9463 25.9463 27.1626 27.1626 k = 0.5000-0.0000 0.0797 ( 1418 PWs) bands (ev): -10.0561 -10.0561 -6.8252 -6.8252 -6.1839 -6.1839 -4.7988 -4.7988 0.3182 0.3182 2.8516 2.8516 3.7659 3.7659 6.2390 6.2390 6.2591 6.2591 7.5804 7.5804 8.0669 8.0669 9.3215 9.3215 9.4068 9.4068 9.8949 9.8949 10.0780 10.0780 11.4329 11.4329 22.3071 22.3071 24.8620 24.8620 26.0053 26.0053 27.2984 27.2984 k = 0.5000-0.0000 0.0717 ( 1422 PWs) bands (ev): -10.0595 -10.0595 -6.8399 -6.8399 -6.1782 -6.1782 -4.7811 -4.7811 0.3307 0.3307 2.8455 2.8455 3.7595 3.7595 6.2994 6.2994 6.3078 6.3078 7.5807 7.5807 7.9837 7.9837 9.3078 9.3078 9.3904 9.3904 9.8633 9.8633 10.0367 10.0367 11.4411 11.4411 22.3277 22.3277 24.9530 24.9530 26.0601 26.0601 27.2798 27.2798 k = 0.5000-0.0000 0.0637 ( 1420 PWs) bands (ev): -10.0625 -10.0625 -6.8530 -6.8530 -6.1731 -6.1731 -4.7653 -4.7653 0.3424 0.3424 2.8393 2.8393 3.7539 3.7539 6.3496 6.3496 6.3648 6.3648 7.5814 7.5814 7.9011 7.9011 9.2904 9.2904 9.3783 9.3783 9.8347 9.8347 9.9999 9.9999 11.4489 11.4489 22.3454 22.3454 25.0412 25.0412 26.1087 26.1087 27.2532 27.2532 k = 0.5000-0.0000 0.0558 ( 1420 PWs) bands (ev): -10.0653 -10.0653 -6.8646 -6.8646 -6.1685 -6.1685 -4.7512 -4.7512 0.3532 0.3532 2.8332 2.8332 3.7490 3.7490 6.3904 6.3904 6.4281 6.4281 7.5822 7.5822 7.8198 7.8198 9.2728 9.2728 9.3671 9.3671 9.8092 9.8092 9.9681 9.9681 11.4560 11.4560 22.3602 22.3602 25.1258 25.1258 26.1489 26.1489 27.2356 27.2356 k = 0.5000-0.0000 0.0478 ( 1420 PWs) bands (ev): -10.0677 -10.0677 -6.8747 -6.8747 -6.1644 -6.1644 -4.7391 -4.7391 0.3630 0.3630 2.8275 2.8275 3.7448 3.7448 6.4265 6.4265 6.4916 6.4916 7.5831 7.5831 7.7409 7.7409 9.2574 9.2574 9.3551 9.3551 9.7869 9.7869 9.9413 9.9413 11.4624 11.4624 22.3725 22.3725 25.2056 25.2056 26.1790 26.1790 27.2287 27.2287 k = 0.5000-0.0000 0.0398 ( 1422 PWs) bands (ev): -10.0698 -10.0698 -6.8832 -6.8832 -6.1609 -6.1609 -4.7287 -4.7287 0.3715 0.3715 2.8223 2.8223 3.7414 3.7414 6.4579 6.4579 6.5539 6.5539 7.5840 7.5840 7.6656 7.6656 9.2451 9.2451 9.3421 9.3421 9.7679 9.7679 9.9196 9.9196 11.4680 11.4680 22.3825 22.3825 25.2793 25.2793 26.1983 26.1983 27.2328 27.2328 k = 0.5000-0.0000 0.0319 ( 1420 PWs) bands (ev): -10.0715 -10.0715 -6.8902 -6.8902 -6.1580 -6.1580 -4.7202 -4.7202 0.3787 0.3787 2.8178 2.8178 3.7386 3.7386 6.4841 6.4841 6.6130 6.6130 7.5833 7.5833 7.5973 7.5973 9.2365 9.2365 9.3284 9.3284 9.7522 9.7522 9.9025 9.9025 11.4728 11.4728 22.3904 22.3904 25.3452 25.3452 26.2075 26.2075 27.2471 27.2471 k = 0.5000-0.0000 0.0239 ( 1418 PWs) bands (ev): -10.0728 -10.0728 -6.8957 -6.8957 -6.1558 -6.1558 -4.7136 -4.7136 0.3844 0.3844 2.8141 2.8141 3.7364 3.7364 6.5050 6.5050 6.6664 6.6664 7.5331 7.5331 7.5864 7.5864 9.2313 9.2313 9.3151 9.3151 9.7400 9.7400 9.8899 9.8899 11.4765 11.4765 22.3964 22.3964 25.4009 25.4009 26.2088 26.2088 27.2685 27.2685 k = 0.5000-0.0000 0.0159 ( 1418 PWs) bands (ev): -10.0738 -10.0738 -6.8996 -6.8996 -6.1542 -6.1542 -4.7089 -4.7089 0.3886 0.3886 2.8114 2.8114 3.7349 3.7349 6.5201 6.5201 6.7101 6.7101 7.4835 7.4835 7.5868 7.5868 9.2290 9.2290 9.3035 9.3035 9.7312 9.7312 9.8812 9.8812 11.4792 11.4792 22.4005 22.4005 25.4438 25.4438 26.2056 26.2056 27.2920 27.2920 k = 0.5000-0.0000 0.0080 ( 1416 PWs) bands (ev): -10.0744 -10.0744 -6.9019 -6.9019 -6.1532 -6.1532 -4.7061 -4.7061 0.3911 0.3911 2.8097 2.8097 3.7340 3.7340 6.5292 6.5292 6.7395 6.7395 7.4505 7.4505 7.5871 7.5871 9.2285 9.2285 9.2954 9.2954 9.7260 9.7260 9.8762 9.8762 11.4809 11.4809 22.4030 22.4030 25.4711 25.4711 26.2016 26.2016 27.3108 27.3108 k = 0.5000-0.0000-0.0000 ( 1414 PWs) bands (ev): -10.0746 -10.0746 -6.9027 -6.9027 -6.1529 -6.1529 -4.7051 -4.7051 0.3920 0.3920 2.8091 2.8091 3.7337 3.7337 6.5323 6.5323 6.7500 6.7500 7.4389 7.4389 7.5872 7.5872 9.2286 9.2286 9.2924 9.2924 9.7242 9.7242 9.8745 9.8745 11.4814 11.4814 22.4038 22.4038 25.4805 25.4805 26.1999 26.1999 27.3181 27.3181 k = 0.0000 0.0000 0.3108 ( 1416 PWs) bands (ev): -12.3101 -12.3101 -8.6120 -8.6120 -6.1553 -6.1553 -4.8370 -4.8370 2.8662 2.8662 3.2196 3.2196 5.4010 5.4010 7.6775 7.6775 7.7300 7.7300 8.2841 8.2841 8.5683 8.5683 9.1478 9.1478 11.3712 11.3712 11.8340 11.8340 11.8959 11.8959 12.7821 12.7821 19.5481 19.5481 21.3183 21.3183 24.5676 24.5676 26.5568 26.5568 k = 0.0079-0.0000 0.3108 ( 1418 PWs) bands (ev): -12.3091 -12.3091 -8.6111 -8.6111 -6.1549 -6.1549 -4.8370 -4.8370 2.8669 2.8669 3.2205 3.2205 5.3926 5.3926 7.6797 7.6797 7.7245 7.7245 8.2876 8.2876 8.5675 8.5675 9.1496 9.1496 11.3687 11.3687 11.8343 11.8343 11.8934 11.8934 12.7814 12.7814 19.5529 19.5529 21.3234 21.3234 24.5676 24.5676 26.5591 26.5591 k = 0.0159-0.0000 0.3108 ( 1420 PWs) bands (ev): -12.3061 -12.3061 -8.6085 -8.6085 -6.1534 -6.1534 -4.8368 -4.8368 2.8692 2.8692 3.2231 3.2231 5.3677 5.3677 7.6849 7.6849 7.7093 7.7093 8.2982 8.2982 8.5649 8.5649 9.1550 9.1550 11.3613 11.3613 11.8352 11.8352 11.8860 11.8860 12.7793 12.7793 19.5674 19.5674 21.3387 21.3387 24.5675 24.5675 26.5660 26.5660 k = 0.0238-0.0000 0.3108 ( 1422 PWs) bands (ev): -12.3012 -12.3012 -8.6042 -8.6042 -6.1510 -6.1510 -4.8366 -4.8366 2.8728 2.8728 3.2275 3.2275 5.3270 5.3270 7.6740 7.6740 7.7035 7.7035 8.3158 8.3158 8.5604 8.5604 9.1638 9.1638 11.3494 11.3494 11.8362 11.8362 11.8741 11.8741 12.7757 12.7757 19.5917 19.5917 21.3640 21.3640 24.5674 24.5674 26.5769 26.5769 k = 0.0317-0.0000 0.3108 ( 1420 PWs) bands (ev): -12.2943 -12.2943 -8.5981 -8.5981 -6.1477 -6.1477 -4.8363 -4.8363 2.8780 2.8780 3.2337 3.2337 5.2716 5.2716 7.6374 7.6374 7.7165 7.7165 8.3401 8.3401 8.5535 8.5535 9.1757 9.1757 11.3331 11.3331 11.8356 11.8356 11.8590 11.8590 12.7707 12.7707 19.6255 19.6255 21.3994 21.3994 24.5670 24.5670 26.5906 26.5906 k = 0.0397-0.0000 0.3108 ( 1418 PWs) bands (ev): -12.2854 -12.2854 -8.5903 -8.5903 -6.1434 -6.1434 -4.8359 -4.8359 2.8846 2.8846 3.2417 3.2417 5.2029 5.2029 7.5897 7.5897 7.7334 7.7334 8.3708 8.3708 8.5440 8.5440 9.1903 9.1903 11.3131 11.3131 11.8254 11.8254 11.8487 11.8487 12.7643 12.7643 19.6687 19.6687 21.4446 21.4446 24.5662 24.5662 26.6006 26.6006 k = 0.0476-0.0000 0.3108 ( 1420 PWs) bands (ev): -12.2745 -12.2745 -8.5808 -8.5808 -6.1382 -6.1382 -4.8354 -4.8354 2.8927 2.8927 3.2513 3.2513 5.1223 5.1223 7.5330 7.5330 7.7521 7.7521 8.4075 8.4075 8.5315 8.5315 9.2072 9.2072 11.2899 11.2899 11.8013 11.8013 11.8474 11.8474 12.7564 12.7564 19.7213 19.7213 21.4993 21.4993 24.5649 24.5649 26.5739 26.5739 k = 0.0556-0.0000 0.3108 ( 1422 PWs) bands (ev): -12.2617 -12.2617 -8.5695 -8.5695 -6.1321 -6.1321 -4.8350 -4.8350 2.9022 2.9022 3.2627 3.2627 5.0311 5.0311 7.4683 7.4683 7.7718 7.7718 8.4494 8.4494 8.5157 8.5157 9.2261 9.2261 11.2639 11.2639 11.7703 11.7703 11.8478 11.8478 12.7470 12.7470 19.7830 19.7830 21.5635 21.5635 24.5627 24.5627 26.4900 26.4900 k = 0.0635-0.0000 0.3108 ( 1424 PWs) bands (ev): -12.2470 -12.2470 -8.5566 -8.5566 -6.1251 -6.1251 -4.8346 -4.8346 2.9131 2.9131 3.2759 3.2759 4.9309 4.9309 7.3966 7.3966 7.7919 7.7919 8.4921 8.4921 8.5003 8.5003 9.2463 9.2463 11.2357 11.2357 11.7344 11.7344 11.8480 11.8480 12.7361 12.7361 19.8536 19.8536 21.6367 21.6367 24.5596 24.5596 26.3856 26.3856 k = 0.0714-0.0000 0.3108 ( 1422 PWs) bands (ev): -12.2303 -12.2303 -8.5420 -8.5420 -6.1172 -6.1172 -4.8341 -4.8341 2.9254 2.9254 3.2907 3.2907 4.8229 4.8229 7.3185 7.3185 7.8121 7.8121 8.4726 8.4726 8.5469 8.5469 9.2677 9.2677 11.2058 11.2058 11.6940 11.6940 11.8475 11.8475 12.7238 12.7238 19.9329 19.9329 21.7186 21.7186 24.5553 24.5553 26.2725 26.2726 k = 0.0794-0.0000 0.3108 ( 1428 PWs) bands (ev): -12.2117 -12.2117 -8.5256 -8.5256 -6.1085 -6.1085 -4.8338 -4.8338 2.9391 2.9391 3.3072 3.3072 4.7082 4.7082 7.2346 7.2346 7.8322 7.8322 8.4455 8.4455 8.6000 8.6000 9.2897 9.2897 11.1747 11.1747 11.6496 11.6496 11.8459 11.8459 12.7099 12.7099 20.0207 20.0207 21.8089 21.8089 24.5496 24.5496 26.1542 26.1542 k = 0.0873-0.0000 0.3108 ( 1426 PWs) bands (ev): -12.1912 -12.1912 -8.5076 -8.5076 -6.0989 -6.0989 -4.8336 -4.8336 2.9542 2.9542 3.3253 3.3253 4.5880 4.5880 7.1458 7.1458 7.8521 7.8521 8.4143 8.4143 8.6552 8.6552 9.3122 9.3122 11.1430 11.1430 11.6014 11.6014 11.8432 11.8432 12.6946 12.6946 20.1165 20.1165 21.9072 21.9072 24.5425 24.5425 26.0323 26.0323 k = 0.0952-0.0000 0.3108 ( 1426 PWs) bands (ev): -12.1687 -12.1687 -8.4880 -8.4880 -6.0886 -6.0886 -4.8335 -4.8335 2.9706 2.9706 3.3451 3.3451 4.4630 4.4630 7.0523 7.0523 7.8720 7.8720 8.3788 8.3788 8.7118 8.7118 9.3347 9.3347 11.1110 11.1110 11.5497 11.5497 11.8393 11.8393 12.6777 12.6777 20.2201 20.2201 22.0129 22.0129 24.5339 24.5339 25.9079 25.9079 k = 0.1032-0.0000 0.3108 ( 1426 PWs) bands (ev): -12.1444 -12.1444 -8.4666 -8.4666 -6.0774 -6.0774 -4.8337 -4.8337 2.9883 2.9883 3.3664 3.3664 4.3341 4.3341 6.9549 6.9549 7.8918 7.8918 8.3390 8.3390 8.7690 8.7690 9.3572 9.3572 11.0792 11.0792 11.4947 11.4947 11.8341 11.8341 12.6594 12.6594 20.3311 20.3311 22.1258 22.1258 24.5237 24.5237 25.7820 25.7820 k = 0.1111-0.0000 0.3108 ( 1430 PWs) bands (ev): -12.1182 -12.1182 -8.4437 -8.4437 -6.0656 -6.0656 -4.8341 -4.8341 3.0072 3.0072 3.3893 3.3893 4.2021 4.2021 6.8539 6.8539 7.9116 7.9116 8.2949 8.2949 8.8263 8.8263 9.3794 9.3794 11.0479 11.0479 11.4368 11.4368 11.8276 11.8276 12.6395 12.6395 20.4490 20.4490 22.2451 22.2451 24.5120 24.5120 25.6553 25.6553 k = 0.1190-0.0000 0.3108 ( 1424 PWs) bands (ev): -12.0902 -12.0902 -8.4191 -8.4191 -6.0530 -6.0530 -4.8348 -4.8348 3.0273 3.0273 3.4137 3.4137 4.0677 4.0677 6.7499 6.7499 7.9315 7.9315 8.2464 8.2464 8.8831 8.8831 9.4011 9.4011 11.0176 11.0176 11.3764 11.3764 11.8198 11.8198 12.6181 12.6181 20.5734 20.5734 22.3704 22.3704 24.4989 24.4989 25.5286 25.5286 k = 0.1270-0.0000 0.3108 ( 1422 PWs) bands (ev): -12.0604 -12.0604 -8.3929 -8.3929 -6.0398 -6.0398 -4.8359 -4.8359 3.0485 3.0485 3.4395 3.4395 3.9314 3.9314 6.6432 6.6432 7.9514 7.9514 8.1935 8.1935 8.9390 8.9390 9.4223 9.4223 10.9885 10.9885 11.3136 11.3136 11.8107 11.8107 12.5953 12.5953 20.7038 20.7038 22.5009 22.5009 24.4846 24.4846 25.4023 25.4023 k = 0.1349-0.0000 0.3108 ( 1420 PWs) bands (ev): -12.0287 -12.0287 -8.3652 -8.3652 -6.0260 -6.0260 -4.8374 -4.8374 3.0705 3.0705 3.4668 3.4668 3.7940 3.7940 6.5342 6.5342 7.9714 7.9714 8.1363 8.1363 8.9936 8.9936 9.4427 9.4427 10.9610 10.9610 11.2490 11.2490 11.8004 11.8004 12.5709 12.5709 20.8395 20.8395 22.6359 22.6359 24.4695 24.4695 25.2772 25.2772 k = 0.1429-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.9953 -11.9953 -8.3359 -8.3359 -6.0117 -6.0117 -4.8395 -4.8395 3.0933 3.0933 3.4953 3.4953 3.6562 3.6562 6.4234 6.4234 7.9914 7.9914 8.0748 8.0748 9.0465 9.0465 9.4623 9.4623 10.9352 10.9352 11.1827 11.1827 11.7888 11.7888 12.5451 12.5451 20.9799 20.9799 22.7745 22.7745 24.4541 24.4541 25.1539 25.1539 k = 0.1508-0.0000 0.3108 ( 1424 PWs) bands (ev): -11.9601 -11.9601 -8.3050 -8.3050 -5.9968 -5.9968 -4.8421 -4.8421 3.1158 3.1158 3.5166 3.5166 3.5276 3.5276 6.3111 6.3111 8.0087 8.0087 8.0119 8.0119 9.0976 9.0976 9.4809 9.4809 10.9114 10.9114 11.1152 11.1152 11.7762 11.7762 12.5179 12.5179 21.1243 21.1243 22.9155 22.9155 24.4393 24.4393 25.0330 25.0330 k = 0.1587-0.0000 0.3108 ( 1424 PWs) bands (ev): -11.9232 -11.9232 -8.2727 -8.2727 -5.9814 -5.9814 -4.8454 -4.8454 3.1357 3.1357 3.3854 3.3854 3.5564 3.5564 6.1976 6.1976 7.9392 7.9392 8.0317 8.0317 9.1466 9.1466 9.4985 9.4985 10.8897 10.8897 11.0470 11.0470 11.7625 11.7625 12.4892 12.4892 21.2718 21.2718 23.0574 23.0574 24.4263 24.4263 24.9154 24.9154 k = 0.1667-0.0000 0.3108 ( 1424 PWs) bands (ev): -11.8846 -11.8846 -8.2389 -8.2389 -5.9657 -5.9657 -4.8495 -4.8495 3.1377 3.1377 3.2711 3.2711 3.5885 3.5885 6.0835 6.0835 7.8656 7.8656 8.0518 8.0518 9.1933 9.1933 9.5149 9.5149 10.8702 10.8702 10.9784 10.9784 11.7479 11.7479 12.4592 12.4592 21.4212 21.4212 23.1980 23.1980 24.4168 24.4168 24.8020 24.8020 k = 0.1746-0.0000 0.3108 ( 1424 PWs) bands (ev): -11.8444 -11.8444 -8.2036 -8.2036 -5.9496 -5.9496 -4.8544 -4.8544 3.0632 3.0632 3.2349 3.2349 3.6214 3.6214 5.9691 5.9691 7.7883 7.7883 8.0718 8.0718 9.2374 9.2374 9.5300 9.5300 10.8529 10.8529 10.9100 10.9100 11.7324 11.7324 12.4278 12.4278 21.5713 21.5713 23.3343 23.3343 24.4136 24.4136 24.6939 24.6939 k = 0.1825-0.0000 0.3108 ( 1426 PWs) bands (ev): -11.8025 -11.8025 -8.1669 -8.1669 -5.9333 -5.9333 -4.8602 -4.8602 2.9384 2.9384 3.2509 3.2509 3.6552 3.6552 5.8547 5.8547 7.7074 7.7074 8.0916 8.0916 9.2788 9.2788 9.5436 9.5436 10.8345 10.8345 10.8457 10.8457 11.7162 11.7162 12.3952 12.3952 21.7205 21.7205 23.4617 23.4617 24.4207 24.4207 24.5926 24.5926 k = 0.1905-0.0000 0.3108 ( 1426 PWs) bands (ev): -11.7591 -11.7591 -8.1288 -8.1288 -5.9167 -5.9167 -4.8670 -4.8670 2.8056 2.8056 3.2769 3.2769 3.6896 3.6896 5.7409 5.7409 7.6235 7.6235 8.1110 8.1110 9.3172 9.3172 9.5557 9.5557 10.7737 10.7737 10.8271 10.8271 11.6993 11.6993 12.3613 12.3613 21.8668 21.8668 23.5741 23.5741 24.4414 24.4414 24.5026 24.5026 k = 0.1984-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.7141 -11.7141 -8.0893 -8.0893 -5.9000 -5.9000 -4.8749 -4.8749 2.6720 2.6720 3.3062 3.3062 3.7243 3.7243 5.6280 5.6280 7.5365 7.5365 8.1299 8.1299 9.3525 9.3525 9.5662 9.5662 10.7086 10.7086 10.8171 10.8171 11.6820 11.6820 12.3261 12.3261 22.0077 22.0077 23.6645 23.6645 24.4107 24.4107 24.4979 24.4979 k = 0.2063-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.6677 -11.6677 -8.0486 -8.0486 -5.8833 -5.8833 -4.8840 -4.8840 2.5393 2.5393 3.3372 3.3372 3.7590 3.7590 5.5167 5.5167 7.4470 7.4470 8.1482 8.1482 9.3844 9.3844 9.5748 9.5748 10.6454 10.6454 10.8096 10.8096 11.6643 11.6643 12.2899 12.2899 22.1398 22.1398 23.7276 23.7276 24.3434 24.3434 24.5715 24.5715 k = 0.2143-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.6198 -11.6198 -8.0065 -8.0065 -5.8665 -5.8665 -4.8944 -4.8944 2.4083 2.4083 3.3694 3.3694 3.7934 3.7934 5.4074 5.4074 7.3551 7.3551 8.1656 8.1656 9.4126 9.4126 9.5814 9.5814 10.5849 10.5849 10.8044 10.8044 11.6464 11.6464 12.2525 12.2525 22.2593 22.2593 23.7634 23.7634 24.2916 24.2916 24.6748 24.6748 k = 0.2222-0.0000 0.3108 ( 1418 PWs) bands (ev): -11.5705 -11.5705 -7.9632 -7.9632 -5.8499 -5.8499 -4.9062 -4.9062 2.2793 2.2793 3.4025 3.4025 3.8269 3.8269 5.3010 5.3010 7.2612 7.2612 8.1820 8.1820 9.4368 9.4368 9.5860 9.5860 10.5280 10.5280 10.8016 10.8016 11.6283 11.6283 12.2142 12.2142 22.3616 22.3616 23.7765 23.7765 24.2607 24.2607 24.8018 24.8018 k = 0.2302-0.0000 0.3108 ( 1420 PWs) bands (ev): -11.5199 -11.5199 -7.9188 -7.9188 -5.8335 -5.8335 -4.9194 -4.9194 2.1526 2.1526 3.4364 3.4364 3.8588 3.8588 5.1982 5.1982 7.1656 7.1656 8.1972 8.1972 9.4569 9.4569 9.5884 9.5884 10.4751 10.4751 10.8011 10.8011 11.6103 11.6103 12.1749 12.1749 22.4419 22.4419 23.7730 23.7730 24.2551 24.2551 24.9457 24.9457 k = 0.2381-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.4681 -11.4681 -7.8731 -7.8731 -5.8173 -5.8173 -4.9341 -4.9341 2.0287 2.0287 3.4709 3.4709 3.8881 3.8881 5.1002 5.1002 7.0685 7.0685 8.2108 8.2108 9.4725 9.4725 9.5884 9.5884 10.4270 10.4270 10.8026 10.8026 11.5924 11.5924 12.1348 12.1348 22.4968 22.4968 23.7580 23.7580 24.2781 24.2781 25.1009 25.1009 k = 0.2460-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.4151 -11.4151 -7.8264 -7.8264 -5.8015 -5.8015 -4.9504 -4.9504 1.9077 1.9077 3.5060 3.5060 3.9136 3.9136 5.0085 5.0085 6.9704 6.9704 8.2227 8.2227 9.4835 9.4835 9.5860 9.5860 10.3843 10.3843 10.8062 10.8062 11.5749 11.5749 12.0939 12.0939 22.5249 22.5249 23.7353 23.7353 24.3305 24.3305 25.2634 25.2634 k = 0.2540-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.3609 -11.3609 -7.7786 -7.7786 -5.7861 -5.7861 -4.9684 -4.9684 1.7899 1.7899 3.5415 3.5415 3.9336 3.9336 4.9248 4.9248 6.8715 6.8715 8.2325 8.2325 9.4899 9.4899 9.5810 9.5810 10.3475 10.3475 10.8118 10.8118 11.5578 11.5578 12.0523 12.0523 22.5275 22.5275 23.7073 23.7073 24.4106 24.4106 25.4297 25.4297 k = 0.2619-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.3057 -11.3057 -7.7299 -7.7299 -5.7714 -5.7714 -4.9882 -4.9882 1.6755 1.6755 3.5773 3.5773 3.9458 3.9458 4.8515 4.8515 6.7722 6.7722 8.2401 8.2401 9.4918 9.4918 9.5735 9.5735 10.3169 10.3169 10.8192 10.8192 11.5411 11.5411 12.0102 12.0102 22.5084 22.5084 23.6757 23.6757 24.5143 24.5143 25.5969 25.5969 k = 0.2698-0.0000 0.3108 ( 1422 PWs) bands (ev): -11.2496 -11.2496 -7.6802 -7.6802 -5.7572 -5.7572 -5.0097 -5.0097 1.5646 1.5646 3.6134 3.6134 3.9479 3.9479 4.7911 4.7911 6.6727 6.6727 8.2451 8.2451 9.4896 9.4896 9.5633 9.5633 10.2924 10.2924 10.8283 10.8283 11.5252 11.5252 11.9677 11.9677 22.4718 22.4718 23.6417 23.6417 24.6363 24.6363 25.7601 25.7601 k = 0.2778-0.0000 0.3108 ( 1420 PWs) bands (ev): -11.1926 -11.1926 -7.6296 -7.6296 -5.7438 -5.7438 -5.0330 -5.0330 1.4574 1.4574 3.6497 3.6497 3.9375 3.9375 4.7461 4.7461 6.5733 6.5733 8.2473 8.2473 9.4840 9.4840 9.5504 9.5504 10.2738 10.2738 10.8390 10.8390 11.5099 11.5099 11.9248 11.9248 22.4221 22.4221 23.6060 23.6060 24.7716 24.7716 25.9050 25.9050 k = 0.2857-0.0000 0.3108 ( 1418 PWs) bands (ev): -11.1348 -11.1348 -7.5783 -7.5783 -5.7313 -5.7313 -5.0581 -5.0581 1.3540 1.3540 3.6860 3.6860 3.9135 3.9135 4.7176 4.7176 6.4744 6.4744 8.2465 8.2465 9.4757 9.4757 9.5349 9.5349 10.2608 10.2608 10.8512 10.8512 11.4955 11.4955 11.8816 11.8816 22.3630 22.3630 23.5693 23.5693 24.9152 24.9152 25.9759 25.9759 k = 0.2937-0.0000 0.3108 ( 1426 PWs) bands (ev): -11.0764 -11.0764 -7.5262 -7.5262 -5.7197 -5.7197 -5.0851 -5.0851 1.2547 1.2547 3.7223 3.7223 3.8760 3.8760 4.7055 4.7055 6.3763 6.3763 8.2425 8.2425 9.4655 9.4655 9.5168 9.5168 10.2526 10.2526 10.8646 10.8646 11.4819 11.4819 11.8384 11.8384 22.2975 22.2975 23.5320 23.5320 25.0627 25.0627 25.9407 25.9407 k = 0.3016-0.0000 0.3108 ( 1426 PWs) bands (ev): -11.0175 -11.0175 -7.4734 -7.4734 -5.7091 -5.7091 -5.1139 -5.1139 1.1595 1.1595 3.7584 3.7584 3.8272 3.8272 4.7079 4.7079 6.2793 6.2793 8.2354 8.2354 9.4544 9.4544 9.4962 9.4962 10.2486 10.2486 10.8792 10.8792 11.4691 11.4691 11.7952 11.7952 22.2278 22.2278 23.4945 23.4945 25.2094 25.2094 25.8694 25.8694 k = 0.3095-0.0000 0.3108 ( 1426 PWs) bands (ev): -10.9582 -10.9582 -7.4200 -7.4200 -5.6998 -5.6998 -5.1444 -5.1444 1.0684 1.0684 3.7696 3.7696 3.7943 3.7943 4.7218 4.7218 6.1836 6.1836 8.2250 8.2250 9.4431 9.4431 9.4732 9.4732 10.2481 10.2481 10.8949 10.8949 11.4573 11.4573 11.7521 11.7521 22.1555 22.1555 23.4571 23.4571 25.3492 25.3492 25.7902 25.7902 k = 0.3175-0.0000 0.3108 ( 1424 PWs) bands (ev): -10.8985 -10.8985 -7.3662 -7.3662 -5.6916 -5.6916 -5.1766 -5.1766 0.9817 0.9817 3.7063 3.7063 3.8297 3.8297 4.7446 4.7446 6.0897 6.0897 8.2115 8.2115 9.4322 9.4322 9.4481 9.4481 10.2505 10.2505 10.9115 10.9115 11.4465 11.4465 11.7093 11.7093 22.0821 22.0821 23.4201 23.4201 25.4726 25.4726 25.7097 25.7097 k = 0.3254-0.0000 0.3108 ( 1424 PWs) bands (ev): -10.8388 -10.8388 -7.3119 -7.3119 -5.6848 -5.6848 -5.2105 -5.2105 0.8992 0.8992 3.6396 3.6396 3.8647 3.8647 4.7737 4.7737 5.9979 5.9979 8.1951 8.1951 9.4181 9.4181 9.4251 9.4251 10.2551 10.2551 10.9288 10.9288 11.4365 11.4365 11.6670 11.6670 22.0084 22.0084 23.3836 23.3836 25.5651 25.5651 25.6299 25.6299 k = 0.3333-0.0000 0.3108 ( 1424 PWs) bands (ev): -10.7791 -10.7791 -7.2573 -7.2573 -5.6795 -5.6795 -5.2458 -5.2458 0.8211 0.8211 3.5712 3.5712 3.8991 3.8991 4.8072 4.8072 5.9085 5.9085 8.1761 8.1761 9.3901 9.3901 9.4153 9.4153 10.2616 10.2616 10.9467 10.9467 11.4274 11.4274 11.6251 11.6251 21.9351 21.9351 23.3479 23.3479 25.5516 25.5516 25.6142 25.6142 k = 0.3413-0.0000 0.3108 ( 1422 PWs) bands (ev): -10.7197 -10.7197 -7.2025 -7.2025 -5.6757 -5.6757 -5.2825 -5.2825 0.7474 0.7474 3.5026 3.5026 3.9329 3.9329 4.8434 4.8434 5.8221 5.8221 8.1548 8.1548 9.3590 9.3590 9.4082 9.4082 10.2695 10.2695 10.9651 10.9651 11.4191 11.4191 11.5840 11.5840 21.8630 21.8630 23.3130 23.3130 25.4754 25.4754 25.6236 25.6236 k = 0.3492-0.0000 0.3108 ( 1422 PWs) bands (ev): -10.6606 -10.6606 -7.1475 -7.1475 -5.6734 -5.6734 -5.3203 -5.3203 0.6780 0.6780 3.4348 3.4348 3.9658 3.9658 4.8810 4.8810 5.7391 5.7391 8.1317 8.1317 9.3264 9.3264 9.4027 9.4027 10.2786 10.2786 10.9838 10.9838 11.4116 11.4116 11.5436 11.5436 21.7924 21.7924 23.2792 23.2792 25.4015 25.4015 25.6087 25.6087 k = 0.3571-0.0000 0.3108 ( 1424 PWs) bands (ev): -10.6021 -10.6021 -7.0926 -7.0926 -5.6728 -5.6728 -5.3591 -5.3591 0.6129 0.6129 3.3686 3.3686 3.9977 3.9977 4.9187 4.9187 5.6602 5.6602 8.1072 8.1072 9.2924 9.2924 9.3985 9.3985 10.2885 10.2885 11.0028 11.0028 11.4048 11.4048 11.5041 11.5041 21.7239 21.7239 23.2466 23.2466 25.3301 25.3301 25.5817 25.5817 k = 0.3651-0.0000 0.3108 ( 1422 PWs) bands (ev): -10.5444 -10.5444 -7.0378 -7.0378 -5.6740 -5.6740 -5.3987 -5.3987 0.5521 0.5521 3.3045 3.3045 4.0287 4.0287 4.9550 4.9550 5.5865 5.5865 8.0817 8.0817 9.2575 9.2575 9.3954 9.3954 10.2992 10.2992 11.0219 11.0219 11.3986 11.3986 11.4657 11.4657 21.6576 21.6576 23.2152 23.2152 25.2616 25.2616 25.5494 25.5494 k = 0.3730-0.0000 0.3108 ( 1420 PWs) bands (ev): -10.4878 -10.4878 -6.9832 -6.9832 -5.6769 -5.6769 -5.4387 -5.4387 0.4956 0.4956 3.2431 3.2431 4.0585 4.0585 4.9883 4.9883 5.5193 5.5193 8.0557 8.0557 9.2220 9.2220 9.3933 9.3933 10.3104 10.3104 11.0409 11.0409 11.3929 11.3929 11.4285 11.4285 21.5940 21.5940 23.1852 23.1852 25.1960 25.1960 25.5150 25.5150 k = 0.3810-0.0000 0.3108 ( 1422 PWs) bands (ev): -10.4324 -10.4324 -6.9290 -6.9290 -5.6816 -5.6816 -5.4790 -5.4790 0.4432 0.4432 3.1845 3.1845 4.0871 4.0871 5.0159 5.0159 5.4610 5.4610 8.0295 8.0295 9.1860 9.1860 9.3920 9.3920 10.3220 10.3220 11.0597 11.0597 11.3868 11.3868 11.3934 11.3934 21.5331 21.5331 23.1567 23.1567 25.1336 25.1336 25.4804 25.4804 k = 0.3889-0.0000 0.3108 ( 1420 PWs) bands (ev): -10.3786 -10.3786 -6.8754 -6.8754 -5.6881 -5.6881 -5.5191 -5.5191 0.3948 0.3948 3.1292 3.1292 4.1143 4.1143 5.0345 5.0345 5.4147 5.4147 8.0036 8.0036 9.1500 9.1500 9.3911 9.3911 10.3339 10.3339 11.0784 11.0784 11.3574 11.3574 11.3835 11.3835 21.4753 21.4753 23.1297 23.1297 25.0744 25.0744 25.4466 25.4466 k = 0.3968-0.0000 0.3108 ( 1420 PWs) bands (ev): -10.3266 -10.3266 -6.8224 -6.8224 -5.6963 -5.6963 -5.5588 -5.5588 0.3505 0.3505 3.0773 3.0773 4.1401 4.1401 5.0399 5.0399 5.3845 5.3845 7.9784 7.9784 9.1143 9.1143 9.3906 9.3906 10.3461 10.3461 11.0966 11.0966 11.3244 11.3244 11.3789 11.3789 21.4208 21.4208 23.1043 23.1043 25.0187 25.0187 25.4142 25.4142 k = 0.4048-0.0000 0.3108 ( 1418 PWs) bands (ev): -10.2767 -10.2767 -6.7704 -6.7704 -5.7063 -5.7063 -5.5977 -5.5977 0.3100 0.3100 3.0289 3.0289 4.1643 4.1643 5.0298 5.0298 5.3725 5.3725 7.9540 7.9540 9.0792 9.0792 9.3904 9.3904 10.3584 10.3584 11.1144 11.1144 11.2928 11.2928 11.3747 11.3747 21.3696 21.3696 23.0805 23.0805 24.9665 24.9665 25.3836 25.3836 k = 0.4127-0.0000 0.3108 ( 1414 PWs) bands (ev): -10.2292 -10.2292 -6.7195 -6.7195 -5.7180 -5.7180 -5.6354 -5.6354 0.2732 0.2732 2.9842 2.9842 4.1870 4.1870 5.0064 5.0064 5.3763 5.3763 7.9309 7.9309 9.0451 9.0451 9.3902 9.3902 10.3706 10.3706 11.1316 11.1316 11.2630 11.2630 11.3706 11.3706 21.3220 21.3220 23.0585 23.0585 24.9180 24.9180 25.3550 25.3550 k = 0.4206-0.0000 0.3108 ( 1416 PWs) bands (ev): -10.1844 -10.1844 -6.6701 -6.6701 -5.7313 -5.7313 -5.6716 -5.6716 0.2401 0.2401 2.9432 2.9432 4.2079 4.2079 4.9746 4.9746 5.3909 5.3909 7.9091 7.9091 9.0124 9.0124 9.3899 9.3899 10.3827 10.3827 11.1481 11.1481 11.2351 11.2351 11.3666 11.3666 21.2781 21.2781 23.0382 23.0382 24.8733 24.8733 25.3285 25.3285 k = 0.4286-0.0000 0.3108 ( 1416 PWs) bands (ev): -10.1426 -10.1426 -6.6223 -6.6223 -5.7459 -5.7459 -5.7058 -5.7058 0.2106 0.2106 2.9061 2.9061 4.2270 4.2270 4.9393 4.9393 5.4113 5.4113 7.8890 7.8890 8.9815 8.9815 9.3896 9.3896 10.3946 10.3946 11.1639 11.1639 11.2091 11.2091 11.3626 11.3626 21.2380 21.2380 23.0197 23.0197 24.8325 24.8325 25.3044 25.3044 k = 0.4365-0.0000 0.3108 ( 1416 PWs) bands (ev): -10.1041 -10.1041 -6.5765 -6.5765 -5.7616 -5.7616 -5.7378 -5.7378 0.1845 0.1845 2.8728 2.8728 4.2443 4.2443 4.9037 4.9037 5.4340 5.4340 7.8707 7.8707 8.9526 8.9526 9.3893 9.3893 10.4060 10.4060 11.1772 11.1772 11.1868 11.1868 11.3586 11.3586 21.2019 21.2019 23.0030 23.0030 24.7957 24.7957 25.2827 25.2827 k = 0.4444-0.0000 0.3108 ( 1414 PWs) bands (ev): -10.0693 -10.0693 -6.5332 -6.5332 -5.7782 -5.7782 -5.7670 -5.7670 0.1617 0.1617 2.8434 2.8434 4.2597 4.2597 4.8700 4.8700 5.4568 5.4568 7.8543 7.8543 8.9261 8.9261 9.3888 9.3888 10.4168 10.4168 11.1626 11.1626 11.1938 11.1938 11.3545 11.3545 21.1697 21.1697 22.9883 22.9883 24.7630 24.7630 25.2635 25.2635 k = 0.4524-0.0000 0.3108 ( 1416 PWs) bands (ev): -10.0384 -10.0384 -6.4930 -6.4930 -5.7953 -5.7953 -5.7931 -5.7931 0.1422 0.1422 2.8179 2.8179 4.2731 4.2731 4.8392 4.8392 5.4785 5.4785 7.8399 7.8399 8.9024 8.9024 9.3883 9.3883 10.4267 10.4267 11.1435 11.1435 11.2066 11.2066 11.3504 11.3504 21.1417 21.1417 22.9754 22.9754 24.7345 24.7345 25.2467 25.2467 k = 0.4603-0.0000 0.3108 ( 1414 PWs) bands (ev): -10.0117 -10.0117 -6.4563 -6.4563 -5.8162 -5.8162 -5.8117 -5.8117 0.1258 0.1258 2.7964 2.7964 4.2845 4.2845 4.8123 4.8123 5.4980 5.4980 7.8276 7.8276 8.8817 8.8817 9.3878 9.3878 10.4357 10.4357 11.1268 11.1268 11.2184 11.2184 11.3463 11.3463 21.1179 21.1179 22.9645 22.9645 24.7103 24.7103 25.2326 25.2326 k = 0.4683-0.0000 0.3108 ( 1414 PWs) bands (ev): -9.9895 -9.9895 -6.4242 -6.4242 -5.8353 -5.8353 -5.8275 -5.8275 0.1125 0.1125 2.7788 2.7788 4.2939 4.2939 4.7898 4.7898 5.5147 5.5147 7.8175 7.8175 8.8644 8.8644 9.3872 9.3872 10.4434 10.4434 11.1127 11.1127 11.2288 11.2288 11.3423 11.3423 21.0983 21.0983 22.9555 22.9555 24.6903 24.6903 25.2209 25.2209 k = 0.4762-0.0000 0.3108 ( 1414 PWs) bands (ev): -9.9720 -9.9720 -6.3975 -6.3975 -5.8505 -5.8505 -5.8414 -5.8414 0.1022 0.1022 2.7651 2.7651 4.3013 4.3013 4.7720 4.7720 5.5281 5.5281 7.8096 7.8096 8.8507 8.8507 9.3868 9.3868 10.4496 10.4496 11.1016 11.1016 11.2376 11.2376 11.3386 11.3386 21.0830 21.0830 22.9486 22.9486 24.6748 24.6748 25.2119 25.2119 k = 0.4841-0.0000 0.3108 ( 1414 PWs) bands (ev): -9.9593 -9.9593 -6.3774 -6.3774 -5.8615 -5.8615 -5.8524 -5.8524 0.0949 0.0949 2.7553 2.7553 4.3066 4.3066 4.7591 4.7591 5.5379 5.5379 7.8039 7.8039 8.8408 8.8408 9.3864 9.3864 10.4543 10.4543 11.0935 11.0935 11.2443 11.2443 11.3355 11.3355 21.0721 21.0721 22.9436 22.9436 24.6637 24.6637 25.2054 25.2054 k = 0.4921-0.0000 0.3108 ( 1412 PWs) bands (ev): -9.9517 -9.9517 -6.3647 -6.3647 -5.8682 -5.8682 -5.8595 -5.8595 0.0906 0.0906 2.7494 2.7494 4.3097 4.3097 4.7513 4.7513 5.5439 5.5439 7.8005 7.8005 8.8347 8.8347 9.3862 9.3862 10.4571 10.4571 11.0886 11.0886 11.2486 11.2486 11.3334 11.3334 21.0655 21.0655 22.9406 22.9406 24.6570 24.6570 25.2015 25.2015 k = 0.5000-0.0000 0.3108 ( 1412 PWs) bands (ev): -9.9491 -9.9491 -6.3604 -6.3604 -5.8704 -5.8704 -5.8620 -5.8620 0.0891 0.0891 2.7474 2.7474 4.3108 4.3108 4.7487 4.7487 5.5459 5.5459 7.7993 7.7993 8.8327 8.8327 9.3861 9.3861 10.4581 10.4581 11.0870 11.0870 11.2501 11.2501 11.3327 11.3327 21.0633 21.0633 22.9396 22.9396 24.6547 24.6547 25.2002 25.2002 Writing output data file AlPO4.save init_run : 0.17s CPU 0.30s WALL ( 1 calls) electrons : 100.71s CPU 103.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 100.70s CPU 103.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 440 calls) cegterg : 94.28s CPU 96.26s WALL ( 743 calls) Called by sum_band: Called by *egterg: h_psi : 34.22s CPU 35.35s WALL ( 10563 calls) s_psi : 3.00s CPU 3.17s WALL ( 10563 calls) g_psi : 0.11s CPU 0.10s WALL ( 9380 calls) cdiaghg : 53.31s CPU 54.19s WALL ( 9820 calls) cegterg:over : 3.08s CPU 3.09s WALL ( 9380 calls) cegterg:upda : 1.90s CPU 1.96s WALL ( 9380 calls) cegterg:last : 1.10s CPU 1.11s WALL ( 1674 calls) cdiaghg:chol : 2.46s CPU 2.72s WALL ( 9820 calls) cdiaghg:inve : 1.74s CPU 1.73s WALL ( 9820 calls) cdiaghg:para : 2.97s CPU 3.10s WALL ( 19640 calls) Called by h_psi: h_psi:vloc : 27.15s CPU 28.04s WALL ( 10563 calls) h_psi:vnl : 6.99s CPU 7.23s WALL ( 10563 calls) add_vuspsi : 3.70s CPU 3.77s WALL ( 10563 calls) General routines calbec : 3.25s CPU 3.44s WALL ( 10563 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.28s CPU 26.07s WALL ( 868836 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.13s WALL ( 880 calls) Parallel routines fft_scatter : 15.94s CPU 16.31s WALL ( 868859 calls) PWSCF : 1m52.55s CPU 2m10.54s WALL This run was terminated on: 19:35:43 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=