Program PWSCF v.5.1.1 starts on 21May2015 at 22: 9:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./VO2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 14 4 2345 371 62 Max 50 15 5 2352 394 69 Sum 2397 717 217 112803 18251 3135 bravais-lattice index = 14 lattice parameter (alat) = 5.4783 a.u. unit-cell volume = 406.8027 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.478316 celldm(2)= 1.554329 celldm(3)= 1.592618 celldm(4)= 0.031236 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 1.554329 0.000000 ) a(3) = ( 0.000000 0.049748 1.591841 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.643364 -0.020106 ) b(3) = ( 0.000000 0.000000 0.628203 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for V read from file: /home/autes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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) V 13.00 50.94150 V( 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 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0000000 0.0089743), wk = 0.0026042 k( 3) = ( 0.0000000 0.0000000 0.0179487), wk = 0.0026042 k( 4) = ( 0.0000000 0.0000000 0.0269230), wk = 0.0026042 k( 5) = ( 0.0000000 0.0000000 0.0358973), wk = 0.0026042 k( 6) = ( 0.0000000 0.0000000 0.0448717), wk = 0.0026042 k( 7) = ( 0.0000000 0.0000000 0.0538460), wk = 0.0026042 k( 8) = ( 0.0000000 0.0000000 0.0628203), wk = 0.0026042 k( 9) = ( 0.0000000 0.0000000 0.0717947), wk = 0.0026042 k( 10) = ( 0.0000000 0.0000000 0.0807690), wk = 0.0026042 k( 11) = ( 0.0000000 0.0000000 0.0897433), wk = 0.0026042 k( 12) = ( 0.0000000 0.0000000 0.0987177), wk = 0.0026042 k( 13) = ( 0.0000000 0.0000000 0.1076920), wk = 0.0026042 k( 14) = ( 0.0000000 0.0000000 0.1166664), wk = 0.0026042 k( 15) = ( 0.0000000 0.0000000 0.1256407), wk = 0.0026042 k( 16) = ( 0.0000000 0.0000000 0.1346150), wk = 0.0026042 k( 17) = ( 0.0000000 0.0000000 0.1435894), wk = 0.0026042 k( 18) = ( 0.0000000 0.0000000 0.1525637), wk = 0.0026042 k( 19) = ( 0.0000000 0.0000000 0.1615380), wk = 0.0026042 k( 20) = ( 0.0000000 0.0000000 0.1705124), wk = 0.0026042 k( 21) = ( 0.0000000 0.0000000 0.1794867), wk = 0.0026042 k( 22) = ( 0.0000000 0.0000000 0.1884610), wk = 0.0026042 k( 23) = ( 0.0000000 0.0000000 0.1974354), wk = 0.0026042 k( 24) = ( 0.0000000 0.0000000 0.2064097), wk = 0.0026042 k( 25) = ( 0.0000000 0.0000000 0.2153840), wk = 0.0026042 k( 26) = ( 0.0000000 0.0000000 0.2243584), wk = 0.0026042 k( 27) = ( 0.0000000 0.0000000 0.2333327), wk = 0.0026042 k( 28) = ( 0.0000000 0.0000000 0.2423070), wk = 0.0026042 k( 29) = ( 0.0000000 0.0000000 0.2512814), wk = 0.0026042 k( 30) = ( 0.0000000 0.0000000 0.2602557), wk = 0.0026042 k( 31) = ( 0.0000000 0.0000000 0.2692301), wk = 0.0026042 k( 32) = ( 0.0000000 0.0000000 0.2782044), wk = 0.0026042 k( 33) = ( 0.0000000 0.0000000 0.2871787), wk = 0.0026042 k( 34) = ( 0.0000000 0.0000000 0.2961531), wk = 0.0026042 k( 35) = ( 0.0000000 0.0000000 0.3051274), wk = 0.0026042 k( 36) = ( 0.0000000 0.0000000 0.3141017), wk = 0.0026042 k( 37) = ( 0.0000000 0.0000000 0.3141017), wk = 0.0026042 k( 38) = ( 0.0000000 0.0091818 0.3141017), wk = 0.0026042 k( 39) = ( 0.0000000 0.0183635 0.3141017), wk = 0.0026042 k( 40) = ( 0.0000000 0.0275453 0.3141017), wk = 0.0026042 k( 41) = ( 0.0000000 0.0367271 0.3141017), wk = 0.0026042 k( 42) = ( 0.0000000 0.0459089 0.3141017), wk = 0.0026042 k( 43) = ( 0.0000000 0.0550906 0.3141017), wk = 0.0026042 k( 44) = ( 0.0000000 0.0642724 0.3141017), wk = 0.0026042 k( 45) = ( 0.0000000 0.0734542 0.3141017), wk = 0.0026042 k( 46) = ( 0.0000000 0.0826359 0.3141017), wk = 0.0026042 k( 47) = ( 0.0000000 0.0918177 0.3141017), wk = 0.0026042 k( 48) = ( 0.0000000 0.1009995 0.3141017), wk = 0.0026042 k( 49) = ( 0.0000000 0.1101812 0.3141017), wk = 0.0026042 k( 50) = ( 0.0000000 0.1193630 0.3141017), wk = 0.0026042 k( 51) = ( 0.0000000 0.1285448 0.3141017), wk = 0.0026042 k( 52) = ( 0.0000000 0.1377266 0.3141017), wk = 0.0026042 k( 53) = ( 0.0000000 0.1469083 0.3141017), wk = 0.0026042 k( 54) = ( 0.0000000 0.1560901 0.3141017), wk = 0.0026042 k( 55) = ( 0.0000000 0.1652719 0.3141017), wk = 0.0026042 k( 56) = ( 0.0000000 0.1744536 0.3141017), wk = 0.0026042 k( 57) = ( 0.0000000 0.1836354 0.3141017), wk = 0.0026042 k( 58) = ( 0.0000000 0.1928172 0.3141017), wk = 0.0026042 k( 59) = ( 0.0000000 0.2019990 0.3141017), wk = 0.0026042 k( 60) = ( 0.0000000 0.2111807 0.3141017), wk = 0.0026042 k( 61) = ( 0.0000000 0.2203625 0.3141017), wk = 0.0026042 k( 62) = ( 0.0000000 0.2295443 0.3141017), wk = 0.0026042 k( 63) = ( 0.0000000 0.2387260 0.3141017), wk = 0.0026042 k( 64) = ( 0.0000000 0.2479078 0.3141017), wk = 0.0026042 k( 65) = ( 0.0000000 0.2570896 0.3141017), wk = 0.0026042 k( 66) = ( 0.0000000 0.2662714 0.3141017), wk = 0.0026042 k( 67) = ( 0.0000000 0.2754531 0.3141017), wk = 0.0026042 k( 68) = ( 0.0000000 0.2846349 0.3141017), wk = 0.0026042 k( 69) = ( 0.0000000 0.2938167 0.3141017), wk = 0.0026042 k( 70) = ( 0.0000000 0.3029984 0.3141017), wk = 0.0026042 k( 71) = ( 0.0000000 0.3121802 0.3141017), wk = 0.0026042 k( 72) = ( 0.0000000 0.3121802 0.3141017), wk = 0.0026042 k( 73) = ( 0.0000000 0.3169312 0.3090752), wk = 0.0026042 k( 74) = ( 0.0000000 0.3216822 0.3040487), wk = 0.0026042 k( 75) = ( 0.0000000 0.3216822 0.3040487), wk = 0.0026042 k( 76) = ( 0.0090909 0.3216822 0.3040487), wk = 0.0026042 k( 77) = ( 0.0181818 0.3216822 0.3040487), wk = 0.0026042 k( 78) = ( 0.0272727 0.3216822 0.3040487), wk = 0.0026042 k( 79) = ( 0.0363636 0.3216822 0.3040487), wk = 0.0026042 k( 80) = ( 0.0454546 0.3216822 0.3040487), wk = 0.0026042 k( 81) = ( 0.0545455 0.3216822 0.3040487), wk = 0.0026042 k( 82) = ( 0.0636364 0.3216822 0.3040487), wk = 0.0026042 k( 83) = ( 0.0727273 0.3216822 0.3040487), wk = 0.0026042 k( 84) = ( 0.0818182 0.3216822 0.3040487), wk = 0.0026042 k( 85) = ( 0.0909091 0.3216822 0.3040487), wk = 0.0026042 k( 86) = ( 0.1000000 0.3216822 0.3040487), wk = 0.0026042 k( 87) = ( 0.1090909 0.3216822 0.3040487), wk = 0.0026042 k( 88) = ( 0.1181818 0.3216822 0.3040487), wk = 0.0026042 k( 89) = ( 0.1272727 0.3216822 0.3040487), wk = 0.0026042 k( 90) = ( 0.1363636 0.3216822 0.3040487), wk = 0.0026042 k( 91) = ( 0.1454545 0.3216822 0.3040487), wk = 0.0026042 k( 92) = ( 0.1545455 0.3216822 0.3040487), wk = 0.0026042 k( 93) = ( 0.1636364 0.3216822 0.3040487), wk = 0.0026042 k( 94) = ( 0.1727273 0.3216822 0.3040487), wk = 0.0026042 k( 95) = ( 0.1818182 0.3216822 0.3040487), wk = 0.0026042 k( 96) = ( 0.1909091 0.3216822 0.3040487), wk = 0.0026042 k( 97) = ( 0.2000000 0.3216822 0.3040487), wk = 0.0026042 k( 98) = ( 0.2090909 0.3216822 0.3040487), wk = 0.0026042 k( 99) = ( 0.2181818 0.3216822 0.3040487), wk = 0.0026042 k( 100) = ( 0.2272727 0.3216822 0.3040487), wk = 0.0026042 k( 101) = ( 0.2363636 0.3216822 0.3040487), wk = 0.0026042 k( 102) = ( 0.2454545 0.3216822 0.3040487), wk = 0.0026042 k( 103) = ( 0.2545455 0.3216822 0.3040487), wk = 0.0026042 k( 104) = ( 0.2636364 0.3216822 0.3040487), wk = 0.0026042 k( 105) = ( 0.2727273 0.3216822 0.3040487), wk = 0.0026042 k( 106) = ( 0.2818182 0.3216822 0.3040487), wk = 0.0026042 k( 107) = ( 0.2909091 0.3216822 0.3040487), wk = 0.0026042 k( 108) = ( 0.3000000 0.3216822 0.3040487), wk = 0.0026042 k( 109) = ( 0.3090909 0.3216822 0.3040487), wk = 0.0026042 k( 110) = ( 0.3181818 0.3216822 0.3040487), wk = 0.0026042 k( 111) = ( 0.3272727 0.3216822 0.3040487), wk = 0.0026042 k( 112) = ( 0.3363636 0.3216822 0.3040487), wk = 0.0026042 k( 113) = ( 0.3454546 0.3216822 0.3040487), wk = 0.0026042 k( 114) = ( 0.3545454 0.3216822 0.3040487), wk = 0.0026042 k( 115) = ( 0.3636364 0.3216822 0.3040487), wk = 0.0026042 k( 116) = ( 0.3727273 0.3216822 0.3040487), wk = 0.0026042 k( 117) = ( 0.3818182 0.3216822 0.3040487), wk = 0.0026042 k( 118) = ( 0.3909091 0.3216822 0.3040487), wk = 0.0026042 k( 119) = ( 0.4000000 0.3216822 0.3040487), wk = 0.0026042 k( 120) = ( 0.4090909 0.3216822 0.3040487), wk = 0.0026042 k( 121) = ( 0.4181818 0.3216822 0.3040487), wk = 0.0026042 k( 122) = ( 0.4272727 0.3216822 0.3040487), wk = 0.0026042 k( 123) = ( 0.4363636 0.3216822 0.3040487), wk = 0.0026042 k( 124) = ( 0.4454546 0.3216822 0.3040487), wk = 0.0026042 k( 125) = ( 0.4545455 0.3216822 0.3040487), wk = 0.0026042 k( 126) = ( 0.4636364 0.3216822 0.3040487), wk = 0.0026042 k( 127) = ( 0.4727273 0.3216822 0.3040487), wk = 0.0026042 k( 128) = ( 0.4818182 0.3216822 0.3040487), wk = 0.0026042 k( 129) = ( 0.4909091 0.3216822 0.3040487), wk = 0.0026042 k( 130) = ( 0.5000000 0.3216822 0.3040487), wk = 0.0026042 k( 131) = ( 0.5000000 0.3216822 0.3040487), wk = 0.0026042 k( 132) = ( 0.5000000 0.3264332 0.2990221), wk = 0.0026042 k( 133) = ( 0.5000000 0.3311842 0.2939956), wk = 0.0026042 k( 134) = ( 0.5000000 0.3311842 0.2939956), wk = 0.0026042 k( 135) = ( 0.5000000 0.3308963 0.2847820), wk = 0.0026042 k( 136) = ( 0.5000000 0.3306083 0.2755684), wk = 0.0026042 k( 137) = ( 0.5000000 0.3303204 0.2663548), wk = 0.0026042 k( 138) = ( 0.5000000 0.3300324 0.2571412), wk = 0.0026042 k( 139) = ( 0.5000000 0.3297445 0.2479276), wk = 0.0026042 k( 140) = ( 0.5000000 0.3294566 0.2387140), wk = 0.0026042 k( 141) = ( 0.5000000 0.3291686 0.2295004), wk = 0.0026042 k( 142) = ( 0.5000000 0.3288807 0.2202868), wk = 0.0026042 k( 143) = ( 0.5000000 0.3285927 0.2110732), wk = 0.0026042 k( 144) = ( 0.5000000 0.3283048 0.2018596), wk = 0.0026042 k( 145) = ( 0.5000000 0.3280169 0.1926460), wk = 0.0026042 k( 146) = ( 0.5000000 0.3277289 0.1834324), wk = 0.0026042 k( 147) = ( 0.5000000 0.3274410 0.1742188), wk = 0.0026042 k( 148) = ( 0.5000000 0.3271530 0.1650052), wk = 0.0026042 k( 149) = ( 0.5000000 0.3268651 0.1557916), wk = 0.0026042 k( 150) = ( 0.5000000 0.3265772 0.1465781), wk = 0.0026042 k( 151) = ( 0.5000000 0.3262892 0.1373645), wk = 0.0026042 k( 152) = ( 0.5000000 0.3260013 0.1281509), wk = 0.0026042 k( 153) = ( 0.5000000 0.3257133 0.1189373), wk = 0.0026042 k( 154) = ( 0.5000000 0.3254254 0.1097237), wk = 0.0026042 k( 155) = ( 0.5000000 0.3251375 0.1005101), wk = 0.0026042 k( 156) = ( 0.5000000 0.3248495 0.0912965), wk = 0.0026042 k( 157) = ( 0.5000000 0.3245616 0.0820829), wk = 0.0026042 k( 158) = ( 0.5000000 0.3242737 0.0728693), wk = 0.0026042 k( 159) = ( 0.5000000 0.3239857 0.0636557), wk = 0.0026042 k( 160) = ( 0.5000000 0.3236978 0.0544421), wk = 0.0026042 k( 161) = ( 0.5000000 0.3234098 0.0452285), wk = 0.0026042 k( 162) = ( 0.5000000 0.3231219 0.0360149), wk = 0.0026042 k( 163) = ( 0.5000000 0.3228340 0.0268013), wk = 0.0026042 k( 164) = ( 0.5000000 0.3225460 0.0175877), wk = 0.0026042 k( 165) = ( 0.5000000 0.3222581 0.0083741), wk = 0.0026042 k( 166) = ( 0.5000000 0.3219701 -0.0008395), wk = 0.0026042 k( 167) = ( 0.5000000 0.3216822 -0.0100531), wk = 0.0026042 k( 168) = ( 0.5000000 0.3216822 -0.0100531), wk = 0.0026042 k( 169) = ( 0.4909091 0.3216822 -0.0100531), wk = 0.0026042 k( 170) = ( 0.4818182 0.3216822 -0.0100531), wk = 0.0026042 k( 171) = ( 0.4727273 0.3216822 -0.0100531), wk = 0.0026042 k( 172) = ( 0.4636364 0.3216822 -0.0100531), wk = 0.0026042 k( 173) = ( 0.4545455 0.3216822 -0.0100531), wk = 0.0026042 k( 174) = ( 0.4454546 0.3216822 -0.0100531), wk = 0.0026042 k( 175) = ( 0.4363636 0.3216822 -0.0100531), wk = 0.0026042 k( 176) = ( 0.4272727 0.3216822 -0.0100531), wk = 0.0026042 k( 177) = ( 0.4181818 0.3216822 -0.0100531), wk = 0.0026042 k( 178) = ( 0.4090909 0.3216822 -0.0100531), wk = 0.0026042 k( 179) = ( 0.4000000 0.3216822 -0.0100531), wk = 0.0026042 k( 180) = ( 0.3909091 0.3216822 -0.0100531), wk = 0.0026042 k( 181) = ( 0.3818182 0.3216822 -0.0100531), wk = 0.0026042 k( 182) = ( 0.3727273 0.3216822 -0.0100531), wk = 0.0026042 k( 183) = ( 0.3636364 0.3216822 -0.0100531), wk = 0.0026042 k( 184) = ( 0.3545454 0.3216822 -0.0100531), wk = 0.0026042 k( 185) = ( 0.3454546 0.3216822 -0.0100531), wk = 0.0026042 k( 186) = ( 0.3363636 0.3216822 -0.0100531), wk = 0.0026042 k( 187) = ( 0.3272727 0.3216822 -0.0100531), wk = 0.0026042 k( 188) = ( 0.3181818 0.3216822 -0.0100531), wk = 0.0026042 k( 189) = ( 0.3090909 0.3216822 -0.0100531), wk = 0.0026042 k( 190) = ( 0.3000000 0.3216822 -0.0100531), wk = 0.0026042 k( 191) = ( 0.2909091 0.3216822 -0.0100531), wk = 0.0026042 k( 192) = ( 0.2818182 0.3216822 -0.0100531), wk = 0.0026042 k( 193) = ( 0.2727273 0.3216822 -0.0100531), wk = 0.0026042 k( 194) = ( 0.2636364 0.3216822 -0.0100531), wk = 0.0026042 k( 195) = ( 0.2545455 0.3216822 -0.0100531), wk = 0.0026042 k( 196) = ( 0.2454545 0.3216822 -0.0100531), wk = 0.0026042 k( 197) = ( 0.2363636 0.3216822 -0.0100531), wk = 0.0026042 k( 198) = ( 0.2272727 0.3216822 -0.0100531), wk = 0.0026042 k( 199) = ( 0.2181818 0.3216822 -0.0100531), wk = 0.0026042 k( 200) = ( 0.2090909 0.3216822 -0.0100531), wk = 0.0026042 k( 201) = ( 0.2000000 0.3216822 -0.0100531), wk = 0.0026042 k( 202) = ( 0.1909091 0.3216822 -0.0100531), wk = 0.0026042 k( 203) = ( 0.1818182 0.3216822 -0.0100531), wk = 0.0026042 k( 204) = ( 0.1727273 0.3216822 -0.0100531), wk = 0.0026042 k( 205) = ( 0.1636364 0.3216822 -0.0100531), wk = 0.0026042 k( 206) = ( 0.1545455 0.3216822 -0.0100531), wk = 0.0026042 k( 207) = ( 0.1454545 0.3216822 -0.0100531), wk = 0.0026042 k( 208) = ( 0.1363636 0.3216822 -0.0100531), wk = 0.0026042 k( 209) = ( 0.1272727 0.3216822 -0.0100531), wk = 0.0026042 k( 210) = ( 0.1181818 0.3216822 -0.0100531), wk = 0.0026042 k( 211) = ( 0.1090909 0.3216822 -0.0100531), wk = 0.0026042 k( 212) = ( 0.1000000 0.3216822 -0.0100531), wk = 0.0026042 k( 213) = ( 0.0909091 0.3216822 -0.0100531), wk = 0.0026042 k( 214) = ( 0.0818182 0.3216822 -0.0100531), wk = 0.0026042 k( 215) = ( 0.0727273 0.3216822 -0.0100531), wk = 0.0026042 k( 216) = ( 0.0636364 0.3216822 -0.0100531), wk = 0.0026042 k( 217) = ( 0.0545455 0.3216822 -0.0100531), wk = 0.0026042 k( 218) = ( 0.0454546 0.3216822 -0.0100531), wk = 0.0026042 k( 219) = ( 0.0363636 0.3216822 -0.0100531), wk = 0.0026042 k( 220) = ( 0.0272727 0.3216822 -0.0100531), wk = 0.0026042 k( 221) = ( 0.0181818 0.3216822 -0.0100531), wk = 0.0026042 k( 222) = ( 0.0090909 0.3216822 -0.0100531), wk = 0.0026042 k( 223) = ( 0.0000000 0.3216822 -0.0100531), wk = 0.0026042 k( 224) = ( 0.0000000 0.3216822 -0.0100531), wk = 0.0026042 k( 225) = ( 0.0000000 0.3219701 -0.0008395), wk = 0.0026042 k( 226) = ( 0.0000000 0.3222581 0.0083741), wk = 0.0026042 k( 227) = ( 0.0000000 0.3225460 0.0175877), wk = 0.0026042 k( 228) = ( 0.0000000 0.3228340 0.0268013), wk = 0.0026042 k( 229) = ( 0.0000000 0.3231219 0.0360149), wk = 0.0026042 k( 230) = ( 0.0000000 0.3234098 0.0452285), wk = 0.0026042 k( 231) = ( 0.0000000 0.3236978 0.0544421), wk = 0.0026042 k( 232) = ( 0.0000000 0.3239857 0.0636557), wk = 0.0026042 k( 233) = ( 0.0000000 0.3242737 0.0728693), wk = 0.0026042 k( 234) = ( 0.0000000 0.3245616 0.0820829), wk = 0.0026042 k( 235) = ( 0.0000000 0.3248495 0.0912965), wk = 0.0026042 k( 236) = ( 0.0000000 0.3251375 0.1005101), wk = 0.0026042 k( 237) = ( 0.0000000 0.3254254 0.1097237), wk = 0.0026042 k( 238) = ( 0.0000000 0.3257133 0.1189373), wk = 0.0026042 k( 239) = ( 0.0000000 0.3260013 0.1281509), wk = 0.0026042 k( 240) = ( 0.0000000 0.3262892 0.1373645), wk = 0.0026042 k( 241) = ( 0.0000000 0.3265772 0.1465781), wk = 0.0026042 k( 242) = ( 0.0000000 0.3268651 0.1557916), wk = 0.0026042 k( 243) = ( 0.0000000 0.3271530 0.1650052), wk = 0.0026042 k( 244) = ( 0.0000000 0.3274410 0.1742188), wk = 0.0026042 k( 245) = ( 0.0000000 0.3277289 0.1834324), wk = 0.0026042 k( 246) = ( 0.0000000 0.3280169 0.1926460), wk = 0.0026042 k( 247) = ( 0.0000000 0.3283048 0.2018596), wk = 0.0026042 k( 248) = ( 0.0000000 0.3285927 0.2110732), wk = 0.0026042 k( 249) = ( 0.0000000 0.3288807 0.2202868), wk = 0.0026042 k( 250) = ( 0.0000000 0.3291686 0.2295004), wk = 0.0026042 k( 251) = ( 0.0000000 0.3294566 0.2387140), wk = 0.0026042 k( 252) = ( 0.0000000 0.3297445 0.2479276), wk = 0.0026042 k( 253) = ( 0.0000000 0.3300324 0.2571412), wk = 0.0026042 k( 254) = ( 0.0000000 0.3303204 0.2663548), wk = 0.0026042 k( 255) = ( 0.0000000 0.3306083 0.2755684), wk = 0.0026042 k( 256) = ( 0.0000000 0.3308963 0.2847820), wk = 0.0026042 k( 257) = ( 0.0000000 0.3311842 0.2939956), wk = 0.0026042 k( 258) = ( 0.5000000 0.3121802 0.3141017), wk = 0.0026042 k( 259) = ( 0.5000000 0.3029984 0.3141017), wk = 0.0026042 k( 260) = ( 0.5000000 0.2938167 0.3141017), wk = 0.0026042 k( 261) = ( 0.5000000 0.2846349 0.3141017), wk = 0.0026042 k( 262) = ( 0.5000000 0.2754531 0.3141017), wk = 0.0026042 k( 263) = ( 0.5000000 0.2662714 0.3141017), wk = 0.0026042 k( 264) = ( 0.5000000 0.2570896 0.3141017), wk = 0.0026042 k( 265) = ( 0.5000000 0.2479078 0.3141017), wk = 0.0026042 k( 266) = ( 0.5000000 0.2387260 0.3141017), wk = 0.0026042 k( 267) = ( 0.5000000 0.2295443 0.3141017), wk = 0.0026042 k( 268) = ( 0.5000000 0.2203625 0.3141017), wk = 0.0026042 k( 269) = ( 0.5000000 0.2111807 0.3141017), wk = 0.0026042 k( 270) = ( 0.5000000 0.2019990 0.3141017), wk = 0.0026042 k( 271) = ( 0.5000000 0.1928172 0.3141017), wk = 0.0026042 k( 272) = ( 0.5000000 0.1836354 0.3141017), wk = 0.0026042 k( 273) = ( 0.5000000 0.1744536 0.3141017), wk = 0.0026042 k( 274) = ( 0.5000000 0.1652719 0.3141017), wk = 0.0026042 k( 275) = ( 0.5000000 0.1560901 0.3141017), wk = 0.0026042 k( 276) = ( 0.5000000 0.1469083 0.3141017), wk = 0.0026042 k( 277) = ( 0.5000000 0.1377266 0.3141017), wk = 0.0026042 k( 278) = ( 0.5000000 0.1285448 0.3141017), wk = 0.0026042 k( 279) = ( 0.5000000 0.1193630 0.3141017), wk = 0.0026042 k( 280) = ( 0.5000000 0.1101812 0.3141017), wk = 0.0026042 k( 281) = ( 0.5000000 0.1009995 0.3141017), wk = 0.0026042 k( 282) = ( 0.5000000 0.0918177 0.3141017), wk = 0.0026042 k( 283) = ( 0.5000000 0.0826359 0.3141017), wk = 0.0026042 k( 284) = ( 0.5000000 0.0734542 0.3141017), wk = 0.0026042 k( 285) = ( 0.5000000 0.0642724 0.3141017), wk = 0.0026042 k( 286) = ( 0.5000000 0.0550906 0.3141017), wk = 0.0026042 k( 287) = ( 0.5000000 0.0459089 0.3141017), wk = 0.0026042 k( 288) = ( 0.5000000 0.0367271 0.3141017), wk = 0.0026042 k( 289) = ( 0.5000000 0.0275453 0.3141017), wk = 0.0026042 k( 290) = ( 0.5000000 0.0183635 0.3141017), wk = 0.0026042 k( 291) = ( 0.5000000 0.0091818 0.3141017), wk = 0.0026042 k( 292) = ( 0.5000000 -0.0000000 0.3141017), wk = 0.0026042 k( 293) = ( 0.5000000 -0.0000000 0.3141017), wk = 0.0026042 k( 294) = ( 0.5000000 -0.0000000 0.3051274), wk = 0.0026042 k( 295) = ( 0.5000000 -0.0000000 0.2961531), wk = 0.0026042 k( 296) = ( 0.5000000 -0.0000000 0.2871787), wk = 0.0026042 k( 297) = ( 0.5000000 -0.0000000 0.2782044), wk = 0.0026042 k( 298) = ( 0.5000000 -0.0000000 0.2692301), wk = 0.0026042 k( 299) = ( 0.5000000 -0.0000000 0.2602557), wk = 0.0026042 k( 300) = ( 0.5000000 -0.0000000 0.2512814), wk = 0.0026042 k( 301) = ( 0.5000000 -0.0000000 0.2423070), wk = 0.0026042 k( 302) = ( 0.5000000 -0.0000000 0.2333327), wk = 0.0026042 k( 303) = ( 0.5000000 -0.0000000 0.2243584), wk = 0.0026042 k( 304) = ( 0.5000000 -0.0000000 0.2153840), wk = 0.0026042 k( 305) = ( 0.5000000 -0.0000000 0.2064097), wk = 0.0026042 k( 306) = ( 0.5000000 -0.0000000 0.1974354), wk = 0.0026042 k( 307) = ( 0.5000000 -0.0000000 0.1884610), wk = 0.0026042 k( 308) = ( 0.5000000 -0.0000000 0.1794867), wk = 0.0026042 k( 309) = ( 0.5000000 -0.0000000 0.1705124), wk = 0.0026042 k( 310) = ( 0.5000000 -0.0000000 0.1615380), wk = 0.0026042 k( 311) = ( 0.5000000 -0.0000000 0.1525637), wk = 0.0026042 k( 312) = ( 0.5000000 -0.0000000 0.1435894), wk = 0.0026042 k( 313) = ( 0.5000000 -0.0000000 0.1346150), wk = 0.0026042 k( 314) = ( 0.5000000 -0.0000000 0.1256407), wk = 0.0026042 k( 315) = ( 0.5000000 -0.0000000 0.1166664), wk = 0.0026042 k( 316) = ( 0.5000000 -0.0000000 0.1076920), wk = 0.0026042 k( 317) = ( 0.5000000 -0.0000000 0.0987177), wk = 0.0026042 k( 318) = ( 0.5000000 -0.0000000 0.0897433), wk = 0.0026042 k( 319) = ( 0.5000000 -0.0000000 0.0807690), wk = 0.0026042 k( 320) = ( 0.5000000 -0.0000000 0.0717947), wk = 0.0026042 k( 321) = ( 0.5000000 -0.0000000 0.0628203), wk = 0.0026042 k( 322) = ( 0.5000000 -0.0000000 0.0538460), wk = 0.0026042 k( 323) = ( 0.5000000 -0.0000000 0.0448717), wk = 0.0026042 k( 324) = ( 0.5000000 -0.0000000 0.0358973), wk = 0.0026042 k( 325) = ( 0.5000000 -0.0000000 0.0269230), wk = 0.0026042 k( 326) = ( 0.5000000 -0.0000000 0.0179487), wk = 0.0026042 k( 327) = ( 0.5000000 -0.0000000 0.0089743), wk = 0.0026042 k( 328) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026042 k( 329) = ( 0.0000000 0.0000000 0.3141017), wk = 0.0026042 k( 330) = ( 0.0090909 -0.0000000 0.3141017), wk = 0.0026042 k( 331) = ( 0.0181818 -0.0000000 0.3141017), wk = 0.0026042 k( 332) = ( 0.0272727 -0.0000000 0.3141017), wk = 0.0026042 k( 333) = ( 0.0363636 -0.0000000 0.3141017), wk = 0.0026042 k( 334) = ( 0.0454546 -0.0000000 0.3141017), wk = 0.0026042 k( 335) = ( 0.0545455 -0.0000000 0.3141017), wk = 0.0026042 k( 336) = ( 0.0636364 -0.0000000 0.3141017), wk = 0.0026042 k( 337) = ( 0.0727273 -0.0000000 0.3141017), wk = 0.0026042 k( 338) = ( 0.0818182 -0.0000000 0.3141017), wk = 0.0026042 k( 339) = ( 0.0909091 -0.0000000 0.3141017), wk = 0.0026042 k( 340) = ( 0.1000000 -0.0000000 0.3141017), wk = 0.0026042 k( 341) = ( 0.1090909 -0.0000000 0.3141017), wk = 0.0026042 k( 342) = ( 0.1181818 -0.0000000 0.3141017), wk = 0.0026042 k( 343) = ( 0.1272727 -0.0000000 0.3141017), wk = 0.0026042 k( 344) = ( 0.1363636 -0.0000000 0.3141017), wk = 0.0026042 k( 345) = ( 0.1454545 -0.0000000 0.3141017), wk = 0.0026042 k( 346) = ( 0.1545455 -0.0000000 0.3141017), wk = 0.0026042 k( 347) = ( 0.1636364 -0.0000000 0.3141017), wk = 0.0026042 k( 348) = ( 0.1727273 -0.0000000 0.3141017), wk = 0.0026042 k( 349) = ( 0.1818182 -0.0000000 0.3141017), wk = 0.0026042 k( 350) = ( 0.1909091 -0.0000000 0.3141017), wk = 0.0026042 k( 351) = ( 0.2000000 -0.0000000 0.3141017), wk = 0.0026042 k( 352) = ( 0.2090909 -0.0000000 0.3141017), wk = 0.0026042 k( 353) = ( 0.2181818 -0.0000000 0.3141017), wk = 0.0026042 k( 354) = ( 0.2272727 -0.0000000 0.3141017), wk = 0.0026042 k( 355) = ( 0.2363636 -0.0000000 0.3141017), wk = 0.0026042 k( 356) = ( 0.2454545 -0.0000000 0.3141017), wk = 0.0026042 k( 357) = ( 0.2545455 -0.0000000 0.3141017), wk = 0.0026042 k( 358) = ( 0.2636364 -0.0000000 0.3141017), wk = 0.0026042 k( 359) = ( 0.2727273 -0.0000000 0.3141017), wk = 0.0026042 k( 360) = ( 0.2818182 -0.0000000 0.3141017), wk = 0.0026042 k( 361) = ( 0.2909091 -0.0000000 0.3141017), wk = 0.0026042 k( 362) = ( 0.3000000 -0.0000000 0.3141017), wk = 0.0026042 k( 363) = ( 0.3090909 -0.0000000 0.3141017), wk = 0.0026042 k( 364) = ( 0.3181818 -0.0000000 0.3141017), wk = 0.0026042 k( 365) = ( 0.3272727 -0.0000000 0.3141017), wk = 0.0026042 k( 366) = ( 0.3363636 -0.0000000 0.3141017), wk = 0.0026042 k( 367) = ( 0.3454546 -0.0000000 0.3141017), wk = 0.0026042 k( 368) = ( 0.3545454 -0.0000000 0.3141017), wk = 0.0026042 k( 369) = ( 0.3636364 -0.0000000 0.3141017), wk = 0.0026042 k( 370) = ( 0.3727273 -0.0000000 0.3141017), wk = 0.0026042 k( 371) = ( 0.3818182 -0.0000000 0.3141017), wk = 0.0026042 k( 372) = ( 0.3909091 -0.0000000 0.3141017), wk = 0.0026042 k( 373) = ( 0.4000000 -0.0000000 0.3141017), wk = 0.0026042 k( 374) = ( 0.4090909 -0.0000000 0.3141017), wk = 0.0026042 k( 375) = ( 0.4181818 -0.0000000 0.3141017), wk = 0.0026042 k( 376) = ( 0.4272727 -0.0000000 0.3141017), wk = 0.0026042 k( 377) = ( 0.4363636 -0.0000000 0.3141017), wk = 0.0026042 k( 378) = ( 0.4454546 -0.0000000 0.3141017), wk = 0.0026042 k( 379) = ( 0.4545455 -0.0000000 0.3141017), wk = 0.0026042 k( 380) = ( 0.4636364 -0.0000000 0.3141017), wk = 0.0026042 k( 381) = ( 0.4727273 -0.0000000 0.3141017), wk = 0.0026042 k( 382) = ( 0.4818182 -0.0000000 0.3141017), wk = 0.0026042 k( 383) = ( 0.4909091 -0.0000000 0.3141017), wk = 0.0026042 k( 384) = ( 0.5000000 -0.0000000 0.3141017), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0026042 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0026042 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0026042 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0026042 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0026042 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0026042 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0026042 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0026042 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0026042 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0026042 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0026042 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0026042 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0026042 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0026042 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0026042 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0026042 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0026042 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0026042 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0026042 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0026042 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0026042 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0026042 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0026042 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0026042 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0026042 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0026042 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0026042 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0026042 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0026042 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0026042 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.0142715 0.5004568), wk = 0.0026042 k( 39) = ( 0.0000000 0.0285430 0.5009135), wk = 0.0026042 k( 40) = ( 0.0000000 0.0428145 0.5013703), wk = 0.0026042 k( 41) = ( 0.0000000 0.0570860 0.5018271), wk = 0.0026042 k( 42) = ( 0.0000000 0.0713575 0.5022838), wk = 0.0026042 k( 43) = ( 0.0000000 0.0856290 0.5027406), wk = 0.0026042 k( 44) = ( 0.0000000 0.0999005 0.5031974), wk = 0.0026042 k( 45) = ( 0.0000000 0.1141719 0.5036542), wk = 0.0026042 k( 46) = ( 0.0000000 0.1284434 0.5041109), wk = 0.0026042 k( 47) = ( 0.0000000 0.1427149 0.5045677), wk = 0.0026042 k( 48) = ( 0.0000000 0.1569864 0.5050245), wk = 0.0026042 k( 49) = ( 0.0000000 0.1712579 0.5054812), wk = 0.0026042 k( 50) = ( 0.0000000 0.1855294 0.5059380), wk = 0.0026042 k( 51) = ( 0.0000000 0.1998009 0.5063948), wk = 0.0026042 k( 52) = ( 0.0000000 0.2140724 0.5068516), wk = 0.0026042 k( 53) = ( 0.0000000 0.2283439 0.5073083), wk = 0.0026042 k( 54) = ( 0.0000000 0.2426154 0.5077651), wk = 0.0026042 k( 55) = ( 0.0000000 0.2568869 0.5082219), wk = 0.0026042 k( 56) = ( 0.0000000 0.2711584 0.5086786), wk = 0.0026042 k( 57) = ( 0.0000000 0.2854299 0.5091354), wk = 0.0026042 k( 58) = ( 0.0000000 0.2997014 0.5095922), wk = 0.0026042 k( 59) = ( 0.0000000 0.3139729 0.5100489), wk = 0.0026042 k( 60) = ( 0.0000000 0.3282444 0.5105057), wk = 0.0026042 k( 61) = ( 0.0000000 0.3425158 0.5109625), wk = 0.0026042 k( 62) = ( 0.0000000 0.3567873 0.5114193), wk = 0.0026042 k( 63) = ( 0.0000000 0.3710588 0.5118760), wk = 0.0026042 k( 64) = ( 0.0000000 0.3853303 0.5123328), wk = 0.0026042 k( 65) = ( 0.0000000 0.3996018 0.5127896), wk = 0.0026042 k( 66) = ( 0.0000000 0.4138733 0.5132463), wk = 0.0026042 k( 67) = ( 0.0000000 0.4281448 0.5137031), wk = 0.0026042 k( 68) = ( 0.0000000 0.4424163 0.5141599), wk = 0.0026042 k( 69) = ( 0.0000000 0.4566878 0.5146167), wk = 0.0026042 k( 70) = ( 0.0000000 0.4709593 0.5150734), wk = 0.0026042 k( 71) = ( 0.0000000 0.4852308 0.5155302), wk = 0.0026042 k( 72) = ( 0.0000000 0.4852308 0.5155302), wk = 0.0026042 k( 73) = ( 0.0000000 0.4926154 0.5077651), wk = 0.0026042 k( 74) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 75) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 76) = ( 0.0090909 0.5000000 0.5000000), wk = 0.0026042 k( 77) = ( 0.0181818 0.5000000 0.5000000), wk = 0.0026042 k( 78) = ( 0.0272727 0.5000000 0.5000000), wk = 0.0026042 k( 79) = ( 0.0363636 0.5000000 0.5000000), wk = 0.0026042 k( 80) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0026042 k( 81) = ( 0.0545455 0.5000000 0.5000000), wk = 0.0026042 k( 82) = ( 0.0636364 0.5000000 0.5000000), wk = 0.0026042 k( 83) = ( 0.0727273 0.5000000 0.5000000), wk = 0.0026042 k( 84) = ( 0.0818182 0.5000000 0.5000000), wk = 0.0026042 k( 85) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0026042 k( 86) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026042 k( 87) = ( 0.1090909 0.5000000 0.5000000), wk = 0.0026042 k( 88) = ( 0.1181818 0.5000000 0.5000000), wk = 0.0026042 k( 89) = ( 0.1272727 0.5000000 0.5000000), wk = 0.0026042 k( 90) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0026042 k( 91) = ( 0.1454545 0.5000000 0.5000000), wk = 0.0026042 k( 92) = ( 0.1545455 0.5000000 0.5000000), wk = 0.0026042 k( 93) = ( 0.1636364 0.5000000 0.5000000), wk = 0.0026042 k( 94) = ( 0.1727273 0.5000000 0.5000000), wk = 0.0026042 k( 95) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0026042 k( 96) = ( 0.1909091 0.5000000 0.5000000), wk = 0.0026042 k( 97) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026042 k( 98) = ( 0.2090909 0.5000000 0.5000000), wk = 0.0026042 k( 99) = ( 0.2181818 0.5000000 0.5000000), wk = 0.0026042 k( 100) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0026042 k( 101) = ( 0.2363636 0.5000000 0.5000000), wk = 0.0026042 k( 102) = ( 0.2454545 0.5000000 0.5000000), wk = 0.0026042 k( 103) = ( 0.2545455 0.5000000 0.5000000), wk = 0.0026042 k( 104) = ( 0.2636364 0.5000000 0.5000000), wk = 0.0026042 k( 105) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0026042 k( 106) = ( 0.2818182 0.5000000 0.5000000), wk = 0.0026042 k( 107) = ( 0.2909091 0.5000000 0.5000000), wk = 0.0026042 k( 108) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026042 k( 109) = ( 0.3090909 0.5000000 0.5000000), wk = 0.0026042 k( 110) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0026042 k( 111) = ( 0.3272727 0.5000000 0.5000000), wk = 0.0026042 k( 112) = ( 0.3363636 0.5000000 0.5000000), wk = 0.0026042 k( 113) = ( 0.3454546 0.5000000 0.5000000), wk = 0.0026042 k( 114) = ( 0.3545454 0.5000000 0.5000000), wk = 0.0026042 k( 115) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0026042 k( 116) = ( 0.3727273 0.5000000 0.5000000), wk = 0.0026042 k( 117) = ( 0.3818182 0.5000000 0.5000000), wk = 0.0026042 k( 118) = ( 0.3909091 0.5000000 0.5000000), wk = 0.0026042 k( 119) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026042 k( 120) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0026042 k( 121) = ( 0.4181818 0.5000000 0.5000000), wk = 0.0026042 k( 122) = ( 0.4272727 0.5000000 0.5000000), wk = 0.0026042 k( 123) = ( 0.4363636 0.5000000 0.5000000), wk = 0.0026042 k( 124) = ( 0.4454546 0.5000000 0.5000000), wk = 0.0026042 k( 125) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0026042 k( 126) = ( 0.4636364 0.5000000 0.5000000), wk = 0.0026042 k( 127) = ( 0.4727273 0.5000000 0.5000000), wk = 0.0026042 k( 128) = ( 0.4818182 0.5000000 0.5000000), wk = 0.0026042 k( 129) = ( 0.4909091 0.5000000 0.5000000), wk = 0.0026042 k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 132) = ( 0.5000000 0.5073846 0.4922349), wk = 0.0026042 k( 133) = ( 0.5000000 0.5147692 0.4844698), wk = 0.0026042 k( 134) = ( 0.5000000 0.5147692 0.4844698), wk = 0.0026042 k( 135) = ( 0.5000000 0.5143217 0.4697889), wk = 0.0026042 k( 136) = ( 0.5000000 0.5138741 0.4551080), wk = 0.0026042 k( 137) = ( 0.5000000 0.5134266 0.4404271), wk = 0.0026042 k( 138) = ( 0.5000000 0.5129790 0.4257462), wk = 0.0026042 k( 139) = ( 0.5000000 0.5125315 0.4110653), wk = 0.0026042 k( 140) = ( 0.5000000 0.5120839 0.3963844), wk = 0.0026042 k( 141) = ( 0.5000000 0.5116364 0.3817035), wk = 0.0026042 k( 142) = ( 0.5000000 0.5111888 0.3670226), wk = 0.0026042 k( 143) = ( 0.5000000 0.5107413 0.3523417), wk = 0.0026042 k( 144) = ( 0.5000000 0.5102937 0.3376608), wk = 0.0026042 k( 145) = ( 0.5000000 0.5098461 0.3229799), wk = 0.0026042 k( 146) = ( 0.5000000 0.5093986 0.3082990), wk = 0.0026042 k( 147) = ( 0.5000000 0.5089510 0.2936181), wk = 0.0026042 k( 148) = ( 0.5000000 0.5085035 0.2789372), wk = 0.0026042 k( 149) = ( 0.5000000 0.5080559 0.2642563), wk = 0.0026042 k( 150) = ( 0.5000000 0.5076084 0.2495754), wk = 0.0026042 k( 151) = ( 0.5000000 0.5071608 0.2348945), wk = 0.0026042 k( 152) = ( 0.5000000 0.5067133 0.2202135), wk = 0.0026042 k( 153) = ( 0.5000000 0.5062657 0.2055327), wk = 0.0026042 k( 154) = ( 0.5000000 0.5058182 0.1908517), wk = 0.0026042 k( 155) = ( 0.5000000 0.5053706 0.1761708), wk = 0.0026042 k( 156) = ( 0.5000000 0.5049231 0.1614899), wk = 0.0026042 k( 157) = ( 0.5000000 0.5044755 0.1468090), wk = 0.0026042 k( 158) = ( 0.5000000 0.5040280 0.1321281), wk = 0.0026042 k( 159) = ( 0.5000000 0.5035804 0.1174472), wk = 0.0026042 k( 160) = ( 0.5000000 0.5031329 0.1027663), wk = 0.0026042 k( 161) = ( 0.5000000 0.5026853 0.0880854), wk = 0.0026042 k( 162) = ( 0.5000000 0.5022378 0.0734045), wk = 0.0026042 k( 163) = ( 0.5000000 0.5017902 0.0587236), wk = 0.0026042 k( 164) = ( 0.5000000 0.5013427 0.0440427), wk = 0.0026042 k( 165) = ( 0.5000000 0.5008951 0.0293618), wk = 0.0026042 k( 166) = ( 0.5000000 0.5004476 0.0146809), wk = 0.0026042 k( 167) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 168) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 169) = ( 0.4909091 0.5000000 0.0000000), wk = 0.0026042 k( 170) = ( 0.4818182 0.5000000 -0.0000000), wk = 0.0026042 k( 171) = ( 0.4727273 0.5000000 0.0000000), wk = 0.0026042 k( 172) = ( 0.4636364 0.5000000 -0.0000000), wk = 0.0026042 k( 173) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0026042 k( 174) = ( 0.4454546 0.5000000 -0.0000000), wk = 0.0026042 k( 175) = ( 0.4363636 0.5000000 0.0000000), wk = 0.0026042 k( 176) = ( 0.4272727 0.5000000 0.0000000), wk = 0.0026042 k( 177) = ( 0.4181818 0.5000000 -0.0000000), wk = 0.0026042 k( 178) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0026042 k( 179) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026042 k( 180) = ( 0.3909091 0.5000000 -0.0000000), wk = 0.0026042 k( 181) = ( 0.3818182 0.5000000 0.0000000), wk = 0.0026042 k( 182) = ( 0.3727273 0.5000000 -0.0000000), wk = 0.0026042 k( 183) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0026042 k( 184) = ( 0.3545454 0.5000000 -0.0000000), wk = 0.0026042 k( 185) = ( 0.3454546 0.5000000 -0.0000000), wk = 0.0026042 k( 186) = ( 0.3363636 0.5000000 -0.0000000), wk = 0.0026042 k( 187) = ( 0.3272727 0.5000000 -0.0000000), wk = 0.0026042 k( 188) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0026042 k( 189) = ( 0.3090909 0.5000000 -0.0000000), wk = 0.0026042 k( 190) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026042 k( 191) = ( 0.2909091 0.5000000 -0.0000000), wk = 0.0026042 k( 192) = ( 0.2818182 0.5000000 -0.0000000), wk = 0.0026042 k( 193) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0026042 k( 194) = ( 0.2636364 0.5000000 0.0000000), wk = 0.0026042 k( 195) = ( 0.2545455 0.5000000 0.0000000), wk = 0.0026042 k( 196) = ( 0.2454545 0.5000000 -0.0000000), wk = 0.0026042 k( 197) = ( 0.2363636 0.5000000 0.0000000), wk = 0.0026042 k( 198) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0026042 k( 199) = ( 0.2181818 0.5000000 0.0000000), wk = 0.0026042 k( 200) = ( 0.2090909 0.5000000 0.0000000), wk = 0.0026042 k( 201) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0026042 k( 202) = ( 0.1909091 0.5000000 0.0000000), wk = 0.0026042 k( 203) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0026042 k( 204) = ( 0.1727273 0.5000000 0.0000000), wk = 0.0026042 k( 205) = ( 0.1636364 0.5000000 0.0000000), wk = 0.0026042 k( 206) = ( 0.1545455 0.5000000 -0.0000000), wk = 0.0026042 k( 207) = ( 0.1454545 0.5000000 0.0000000), wk = 0.0026042 k( 208) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0026042 k( 209) = ( 0.1272727 0.5000000 0.0000000), wk = 0.0026042 k( 210) = ( 0.1181818 0.5000000 -0.0000000), wk = 0.0026042 k( 211) = ( 0.1090909 0.5000000 0.0000000), wk = 0.0026042 k( 212) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026042 k( 213) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0026042 k( 214) = ( 0.0818182 0.5000000 0.0000000), wk = 0.0026042 k( 215) = ( 0.0727273 0.5000000 -0.0000000), wk = 0.0026042 k( 216) = ( 0.0636364 0.5000000 -0.0000000), wk = 0.0026042 k( 217) = ( 0.0545455 0.5000000 0.0000000), wk = 0.0026042 k( 218) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0026042 k( 219) = ( 0.0363636 0.5000000 0.0000000), wk = 0.0026042 k( 220) = ( 0.0272727 0.5000000 -0.0000000), wk = 0.0026042 k( 221) = ( 0.0181818 0.5000000 0.0000000), wk = 0.0026042 k( 222) = ( 0.0090909 0.5000000 -0.0000000), wk = 0.0026042 k( 223) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 224) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 225) = ( 0.0000000 0.5004475 0.0146809), wk = 0.0026042 k( 226) = ( 0.0000000 0.5008951 0.0293618), wk = 0.0026042 k( 227) = ( 0.0000000 0.5013427 0.0440427), wk = 0.0026042 k( 228) = ( 0.0000000 0.5017902 0.0587236), wk = 0.0026042 k( 229) = ( 0.0000000 0.5022378 0.0734045), wk = 0.0026042 k( 230) = ( 0.0000000 0.5026853 0.0880854), wk = 0.0026042 k( 231) = ( 0.0000000 0.5031329 0.1027663), wk = 0.0026042 k( 232) = ( 0.0000000 0.5035804 0.1174472), wk = 0.0026042 k( 233) = ( 0.0000000 0.5040280 0.1321281), wk = 0.0026042 k( 234) = ( 0.0000000 0.5044755 0.1468090), wk = 0.0026042 k( 235) = ( 0.0000000 0.5049231 0.1614899), wk = 0.0026042 k( 236) = ( 0.0000000 0.5053706 0.1761708), wk = 0.0026042 k( 237) = ( 0.0000000 0.5058182 0.1908517), wk = 0.0026042 k( 238) = ( 0.0000000 0.5062657 0.2055326), wk = 0.0026042 k( 239) = ( 0.0000000 0.5067133 0.2202135), wk = 0.0026042 k( 240) = ( 0.0000000 0.5071608 0.2348944), wk = 0.0026042 k( 241) = ( 0.0000000 0.5076084 0.2495754), wk = 0.0026042 k( 242) = ( 0.0000000 0.5080559 0.2642563), wk = 0.0026042 k( 243) = ( 0.0000000 0.5085035 0.2789372), wk = 0.0026042 k( 244) = ( 0.0000000 0.5089510 0.2936181), wk = 0.0026042 k( 245) = ( 0.0000000 0.5093986 0.3082990), wk = 0.0026042 k( 246) = ( 0.0000000 0.5098461 0.3229799), wk = 0.0026042 k( 247) = ( 0.0000000 0.5102937 0.3376608), wk = 0.0026042 k( 248) = ( 0.0000000 0.5107413 0.3523417), wk = 0.0026042 k( 249) = ( 0.0000000 0.5111888 0.3670226), wk = 0.0026042 k( 250) = ( 0.0000000 0.5116364 0.3817035), wk = 0.0026042 k( 251) = ( 0.0000000 0.5120839 0.3963844), wk = 0.0026042 k( 252) = ( 0.0000000 0.5125315 0.4110653), wk = 0.0026042 k( 253) = ( 0.0000000 0.5129790 0.4257462), wk = 0.0026042 k( 254) = ( 0.0000000 0.5134266 0.4404271), wk = 0.0026042 k( 255) = ( 0.0000000 0.5138741 0.4551080), wk = 0.0026042 k( 256) = ( 0.0000000 0.5143217 0.4697889), wk = 0.0026042 k( 257) = ( 0.0000000 0.5147692 0.4844698), wk = 0.0026042 k( 258) = ( 0.5000000 0.4852308 0.5155302), wk = 0.0026042 k( 259) = ( 0.5000000 0.4709593 0.5150734), wk = 0.0026042 k( 260) = ( 0.5000000 0.4566878 0.5146167), wk = 0.0026042 k( 261) = ( 0.5000000 0.4424163 0.5141599), wk = 0.0026042 k( 262) = ( 0.5000000 0.4281448 0.5137031), wk = 0.0026042 k( 263) = ( 0.5000000 0.4138733 0.5132463), wk = 0.0026042 k( 264) = ( 0.5000000 0.3996018 0.5127896), wk = 0.0026042 k( 265) = ( 0.5000000 0.3853303 0.5123328), wk = 0.0026042 k( 266) = ( 0.5000000 0.3710588 0.5118760), wk = 0.0026042 k( 267) = ( 0.5000000 0.3567873 0.5114193), wk = 0.0026042 k( 268) = ( 0.5000000 0.3425158 0.5109625), wk = 0.0026042 k( 269) = ( 0.5000000 0.3282444 0.5105057), wk = 0.0026042 k( 270) = ( 0.5000000 0.3139729 0.5100489), wk = 0.0026042 k( 271) = ( 0.5000000 0.2997014 0.5095922), wk = 0.0026042 k( 272) = ( 0.5000000 0.2854299 0.5091354), wk = 0.0026042 k( 273) = ( 0.5000000 0.2711584 0.5086786), wk = 0.0026042 k( 274) = ( 0.5000000 0.2568869 0.5082219), wk = 0.0026042 k( 275) = ( 0.5000000 0.2426154 0.5077651), wk = 0.0026042 k( 276) = ( 0.5000000 0.2283439 0.5073083), wk = 0.0026042 k( 277) = ( 0.5000000 0.2140724 0.5068516), wk = 0.0026042 k( 278) = ( 0.5000000 0.1998009 0.5063948), wk = 0.0026042 k( 279) = ( 0.5000000 0.1855294 0.5059380), wk = 0.0026042 k( 280) = ( 0.5000000 0.1712579 0.5054812), wk = 0.0026042 k( 281) = ( 0.5000000 0.1569864 0.5050245), wk = 0.0026042 k( 282) = ( 0.5000000 0.1427149 0.5045677), wk = 0.0026042 k( 283) = ( 0.5000000 0.1284434 0.5041109), wk = 0.0026042 k( 284) = ( 0.5000000 0.1141719 0.5036542), wk = 0.0026042 k( 285) = ( 0.5000000 0.0999005 0.5031974), wk = 0.0026042 k( 286) = ( 0.5000000 0.0856290 0.5027406), wk = 0.0026042 k( 287) = ( 0.5000000 0.0713575 0.5022838), wk = 0.0026042 k( 288) = ( 0.5000000 0.0570860 0.5018271), wk = 0.0026042 k( 289) = ( 0.5000000 0.0428145 0.5013703), wk = 0.0026042 k( 290) = ( 0.5000000 0.0285430 0.5009135), wk = 0.0026042 k( 291) = ( 0.5000000 0.0142715 0.5004568), wk = 0.0026042 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 293) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 294) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0026042 k( 295) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0026042 k( 296) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0026042 k( 297) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0026042 k( 298) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0026042 k( 299) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0026042 k( 300) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0026042 k( 301) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0026042 k( 302) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0026042 k( 303) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0026042 k( 304) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0026042 k( 305) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0026042 k( 306) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0026042 k( 307) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0026042 k( 308) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0026042 k( 309) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0026042 k( 310) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0026042 k( 311) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0026042 k( 312) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0026042 k( 313) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0026042 k( 314) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0026042 k( 315) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0026042 k( 316) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0026042 k( 317) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0026042 k( 318) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0026042 k( 319) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0026042 k( 320) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0026042 k( 321) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0026042 k( 322) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0026042 k( 323) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0026042 k( 324) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0026042 k( 325) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0026042 k( 326) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0026042 k( 327) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0026042 k( 328) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026042 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 330) = ( 0.0090909 -0.0000000 0.5000000), wk = 0.0026042 k( 331) = ( 0.0181818 -0.0000000 0.5000000), wk = 0.0026042 k( 332) = ( 0.0272727 0.0000000 0.5000000), wk = 0.0026042 k( 333) = ( 0.0363636 -0.0000000 0.5000000), wk = 0.0026042 k( 334) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0026042 k( 335) = ( 0.0545455 -0.0000000 0.5000000), wk = 0.0026042 k( 336) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0026042 k( 337) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0026042 k( 338) = ( 0.0818182 -0.0000000 0.5000000), wk = 0.0026042 k( 339) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0026042 k( 340) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0026042 k( 341) = ( 0.1090909 -0.0000000 0.5000000), wk = 0.0026042 k( 342) = ( 0.1181818 0.0000000 0.5000000), wk = 0.0026042 k( 343) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0026042 k( 344) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0026042 k( 345) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0026042 k( 346) = ( 0.1545455 -0.0000000 0.5000000), wk = 0.0026042 k( 347) = ( 0.1636364 -0.0000000 0.5000000), wk = 0.0026042 k( 348) = ( 0.1727273 0.0000000 0.5000000), wk = 0.0026042 k( 349) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0026042 k( 350) = ( 0.1909091 0.0000000 0.5000000), wk = 0.0026042 k( 351) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0026042 k( 352) = ( 0.2090909 -0.0000000 0.5000000), wk = 0.0026042 k( 353) = ( 0.2181818 -0.0000000 0.5000000), wk = 0.0026042 k( 354) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0026042 k( 355) = ( 0.2363636 0.0000000 0.5000000), wk = 0.0026042 k( 356) = ( 0.2454545 0.0000000 0.5000000), wk = 0.0026042 k( 357) = ( 0.2545455 -0.0000000 0.5000000), wk = 0.0026042 k( 358) = ( 0.2636364 -0.0000000 0.5000000), wk = 0.0026042 k( 359) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0026042 k( 360) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0026042 k( 361) = ( 0.2909091 -0.0000000 0.5000000), wk = 0.0026042 k( 362) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0026042 k( 363) = ( 0.3090909 -0.0000000 0.5000000), wk = 0.0026042 k( 364) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0026042 k( 365) = ( 0.3272727 -0.0000000 0.5000000), wk = 0.0026042 k( 366) = ( 0.3363636 0.0000000 0.5000000), wk = 0.0026042 k( 367) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0026042 k( 368) = ( 0.3545454 -0.0000000 0.5000000), wk = 0.0026042 k( 369) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0026042 k( 370) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0026042 k( 371) = ( 0.3818182 0.0000000 0.5000000), wk = 0.0026042 k( 372) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0026042 k( 373) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0026042 k( 374) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0026042 k( 375) = ( 0.4181818 -0.0000000 0.5000000), wk = 0.0026042 k( 376) = ( 0.4272727 0.0000000 0.5000000), wk = 0.0026042 k( 377) = ( 0.4363636 -0.0000000 0.5000000), wk = 0.0026042 k( 378) = ( 0.4454546 -0.0000000 0.5000000), wk = 0.0026042 k( 379) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0026042 k( 380) = ( 0.4636364 -0.0000000 0.5000000), wk = 0.0026042 k( 381) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0026042 k( 382) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0026042 k( 383) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0026042 k( 384) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 Dense grid: 112803 G-vectors FFT dimensions: ( 45, 72, 72) Smooth grid: 18251 G-vectors FFT dimensions: ( 25, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 104, 60) NL pseudopotentials 0.10 Mb ( 52, 124) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2351) G-vector shells 0.02 Mb ( 2260) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 104, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.23 Mb ( 124, 2, 60) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./VO2.save/charge-density.dat negative rho (up, down): 7.698E-07 0.000E+00 Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 secs Computing kpt #: 3 total cpu time spent up to now is 50.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.2 secs Computing kpt #: 5 total cpu time spent up to now is 58.9 secs Computing kpt #: 6 total cpu time spent up to now is 61.9 secs Computing kpt #: 7 total cpu time spent up to now is 65.0 secs Computing kpt #: 8 total cpu time spent up to now is 67.9 secs Computing kpt #: 9 total cpu time spent up to now is 70.5 secs Computing kpt #: 10 total cpu time spent up to now is 73.1 secs Computing kpt #: 11 total cpu time spent up to now is 76.0 secs Computing kpt #: 12 total cpu time spent up to now is 78.7 secs Computing kpt #: 13 total cpu time spent up to now is 81.6 secs Computing kpt #: 14 total cpu time spent up to now is 84.2 secs Computing kpt #: 15 total cpu time spent up to now is 87.0 secs Computing kpt #: 16 total cpu time spent up to now is 89.5 secs Computing kpt #: 17 total cpu time spent up to now is 92.2 secs Computing kpt #: 18 total cpu time spent up to now is 94.6 secs Computing kpt #: 19 total cpu time spent up to now is 96.9 secs Computing kpt #: 20 total cpu time spent up to now is 99.2 secs Computing kpt #: 21 total cpu time spent up to now is 101.3 secs Computing kpt #: 22 total cpu time spent up to now is 103.4 secs Computing kpt #: 23 total cpu time spent up to now is 105.6 secs Computing kpt #: 24 total cpu time spent up to now is 107.7 secs Computing kpt #: 25 total cpu time spent up to now is 109.7 secs Computing kpt #: 26 total cpu time spent up to now is 111.7 secs Computing kpt #: 27 total cpu time spent up to now is 113.7 secs Computing kpt #: 28 total cpu time spent up to now is 116.7 secs Computing kpt #: 29 total cpu time spent up to now is 118.7 secs Computing kpt #: 30 total cpu time spent up to now is 120.7 secs Computing kpt #: 31 total cpu time spent up to now is 122.7 secs Computing kpt #: 32 total cpu time spent up to now is 124.7 secs Computing kpt #: 33 total cpu time spent up to now is 126.6 secs Computing kpt #: 34 total cpu time spent up to now is 128.5 secs Computing kpt #: 35 total cpu time spent up to now is 130.5 secs Computing kpt #: 36 total cpu time spent up to now is 132.4 secs Computing kpt #: 37 total cpu time spent up to now is 134.3 secs Computing kpt #: 38 total cpu time spent up to now is 136.3 secs Computing kpt #: 39 total cpu time spent up to now is 138.3 secs Computing kpt #: 40 total cpu time spent up to now is 140.2 secs Computing kpt #: 41 total cpu time spent up to now is 142.2 secs Computing kpt #: 42 total cpu time spent up to now is 144.1 secs Computing kpt #: 43 total cpu time spent up to now is 146.1 secs Computing kpt #: 44 total cpu time spent up to now is 148.0 secs Computing kpt #: 45 total cpu time spent up to now is 150.0 secs Computing kpt #: 46 total cpu time spent up to now is 151.9 secs Computing kpt #: 47 total cpu time spent up to now is 153.9 secs Computing kpt #: 48 total cpu time spent up to now is 155.8 secs Computing kpt 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spent up to now is 186.8 secs Computing kpt #: 65 total cpu time spent up to now is 188.7 secs Computing kpt #: 66 total cpu time spent up to now is 190.6 secs Computing kpt #: 67 total cpu time spent up to now is 192.4 secs Computing kpt #: 68 total cpu time spent up to now is 194.1 secs Computing kpt #: 69 total cpu time spent up to now is 195.7 secs Computing kpt #: 70 total cpu time spent up to now is 197.4 secs Computing kpt #: 71 total cpu time spent up to now is 199.0 secs Computing kpt #: 72 total cpu time spent up to now is 200.7 secs Computing kpt #: 73 total cpu time spent up to now is 202.3 secs Computing kpt #: 74 total cpu time spent up to now is 204.0 secs Computing kpt #: 75 total cpu time spent up to now is 205.7 secs Computing kpt #: 76 total cpu time spent up to now is 207.3 secs Computing kpt #: 77 total cpu time spent up to now is 208.9 secs Computing kpt #: 78 total cpu time spent up to now is 210.6 secs Computing kpt #: 79 total cpu time spent up to now is 212.3 secs Computing kpt #: 80 total cpu time spent up to now is 213.9 secs Computing kpt #: 81 total cpu time spent up to now is 215.5 secs Computing kpt #: 82 total cpu time spent up to now is 217.2 secs Computing kpt #: 83 total cpu time spent up to now is 218.8 secs Computing kpt #: 84 total cpu time spent up to now is 220.5 secs Computing kpt #: 85 total cpu time spent up to now is 222.2 secs Computing kpt #: 86 total cpu time spent up to now is 224.3 secs Computing kpt #: 87 total cpu time spent up to now is 225.9 secs Computing kpt #: 88 total cpu time spent up to now is 227.5 secs Computing kpt #: 89 total cpu time spent up to now is 229.1 secs Computing kpt #: 90 total cpu time spent up to now is 230.7 secs Computing kpt #: 91 total cpu time spent up to now is 232.6 secs Computing kpt #: 92 total cpu time spent up to now is 234.6 secs Computing kpt #: 93 total cpu time spent up to now is 236.3 secs Computing kpt #: 94 total cpu time spent up to now is 237.9 secs Computing kpt #: 95 total cpu time spent up to now is 239.9 secs Computing kpt #: 96 total cpu time spent up to now is 241.4 secs Computing kpt #: 97 total cpu time spent up to now is 243.4 secs Computing kpt #: 98 total cpu time spent up to now is 245.3 secs Computing kpt #: 99 total cpu time spent up to now is 247.3 secs Computing kpt #: 100 total cpu time spent up to now is 249.2 secs Computing kpt #: 101 total cpu time spent up to now is 250.8 secs Computing kpt #: 102 total cpu time spent up to now is 252.9 secs Computing kpt #: 103 total cpu time spent up to now is 254.8 secs Computing kpt #: 104 total cpu time spent up to now is 256.8 secs Computing kpt #: 105 total cpu time spent up to now is 258.7 secs Computing kpt #: 106 total cpu time spent up to now is 260.7 secs Computing kpt #: 107 total cpu time spent up to now is 262.5 secs Computing kpt #: 108 total cpu time spent up to now is 264.3 secs Computing kpt #: 109 total cpu time spent up to now is 266.2 secs Computing kpt #: 110 total cpu time 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Computing kpt #: 156 total cpu time spent up to now is 360.5 secs Computing kpt #: 157 total cpu time spent up to now is 363.0 secs Computing kpt #: 158 total cpu time spent up to now is 365.4 secs Computing kpt #: 159 total cpu time spent up to now is 367.9 secs Computing kpt #: 160 total cpu time spent up to now is 370.3 secs Computing kpt #: 161 total cpu time spent up to now is 372.9 secs Computing kpt #: 162 total cpu time spent up to now is 375.5 secs Computing kpt #: 163 total cpu time spent up to now is 377.7 secs Computing kpt #: 164 total cpu time spent up to now is 380.1 secs Computing kpt #: 165 total cpu time spent up to now is 382.6 secs Computing kpt #: 166 total cpu time spent up to now is 385.2 secs Computing kpt #: 167 total cpu time spent up to now is 387.4 secs Computing kpt #: 168 total cpu time spent up to now is 389.5 secs Computing kpt #: 169 total cpu time spent up to now is 391.8 secs Computing kpt #: 170 total cpu time spent up to now is 394.3 secs Computing kpt #: 171 total cpu time spent up to now is 396.7 secs Computing kpt #: 172 total cpu time spent up to now is 399.2 secs Computing kpt #: 173 total cpu time spent up to now is 401.7 secs Computing kpt #: 174 total cpu time spent up to now is 404.2 secs Computing kpt #: 175 total cpu time spent up to now is 406.6 secs Computing kpt #: 176 total cpu time spent up to now is 409.3 secs Computing kpt #: 177 total cpu time spent up to now is 411.8 secs Computing kpt #: 178 total cpu time spent up to now is 414.3 secs Computing kpt #: 179 total cpu time spent up to now is 416.7 secs Computing kpt #: 180 total cpu time spent up to now is 419.1 secs Computing kpt #: 181 total cpu time spent up to now is 421.6 secs Computing kpt #: 182 total cpu time spent up to now is 424.1 secs Computing kpt #: 183 total cpu time spent up to now is 426.6 secs Computing kpt #: 184 total cpu time spent up to now is 429.1 secs Computing kpt #: 185 total cpu time spent up to now is 431.6 secs Computing kpt #: 186 total cpu time spent up to now is 434.2 secs Computing kpt #: 187 total cpu time spent up to now is 436.7 secs Computing kpt #: 188 total cpu time spent up to now is 439.2 secs Computing kpt #: 189 total cpu time spent up to now is 441.6 secs Computing kpt #: 190 total cpu time spent up to now is 444.1 secs Computing kpt #: 191 total cpu time spent up to now is 446.6 secs Computing kpt #: 192 total cpu time spent up to now is 448.9 secs Computing kpt #: 193 total cpu time spent up to now is 451.5 secs Computing kpt #: 194 total cpu time spent up to now is 453.9 secs Computing kpt #: 195 total cpu time spent up to now is 456.4 secs Computing kpt #: 196 total cpu time spent up to now is 458.8 secs Computing kpt #: 197 total cpu time spent up to now is 461.1 secs Computing kpt #: 198 total cpu time spent up to now is 463.4 secs Computing kpt #: 199 total cpu time spent up to now is 465.7 secs Computing kpt #: 200 total cpu time spent up to now is 468.0 secs Computing kpt #: 201 total cpu time spent up to now is 470.4 secs Computing kpt #: 202 total cpu time spent up to now is 472.7 secs Computing kpt #: 203 total cpu time spent up to now is 475.0 secs Computing kpt #: 204 total cpu time spent up to now is 477.2 secs Computing kpt #: 205 total cpu time spent up to now is 479.5 secs Computing kpt #: 206 total cpu time spent up to now is 481.8 secs Computing kpt #: 207 total cpu time spent up to now is 484.0 secs Computing kpt #: 208 total cpu time spent up to now is 486.0 secs Computing kpt #: 209 total cpu time spent up to now is 488.2 secs Computing kpt #: 210 total cpu time spent up to now is 490.2 secs Computing kpt #: 211 total cpu time spent up to now is 492.2 secs Computing kpt #: 212 total cpu time spent up to now is 494.3 secs Computing kpt #: 213 total cpu time spent up to now is 496.4 secs Computing kpt #: 214 total cpu time spent up to now is 498.4 secs Computing kpt #: 215 total cpu time spent up to now is 500.5 secs Computing kpt #: 216 total cpu time spent up to now is 502.4 secs Computing kpt #: 217 total cpu time spent up to now is 504.4 secs Computing kpt #: 218 total cpu time spent up to now is 506.4 secs Computing kpt #: 219 total cpu time spent up to now is 508.3 secs Computing kpt #: 220 total cpu time spent up to now is 510.3 secs Computing kpt #: 221 total cpu time spent up to now is 512.2 secs Computing kpt #: 222 total cpu time spent up to now is 514.1 secs Computing kpt #: 223 total cpu time spent up to now is 516.0 secs Computing kpt #: 224 total cpu time spent up to now is 518.0 secs Computing kpt #: 225 total cpu time spent up to now is 519.9 secs Computing kpt #: 226 total cpu time spent up to now is 521.8 secs Computing kpt #: 227 total cpu time spent up to now is 523.7 secs Computing kpt #: 228 total cpu time spent up to now is 525.6 secs Computing kpt #: 229 total cpu time spent up to now is 527.5 secs Computing kpt #: 230 total cpu time spent up to now is 529.5 secs Computing kpt #: 231 total cpu time spent up to now is 531.4 secs Computing kpt #: 232 total cpu time spent up to now is 533.3 secs Computing kpt #: 233 total cpu time spent up to now is 535.3 secs Computing kpt #: 234 total cpu time spent up to now is 537.3 secs Computing kpt #: 235 total cpu time spent up to now is 539.2 secs Computing kpt #: 236 total cpu time spent up to now is 541.1 secs Computing kpt #: 237 total cpu time spent up to now is 543.0 secs Computing kpt #: 238 total cpu time spent up to now is 544.9 secs Computing kpt #: 239 total cpu time spent up to now is 546.8 secs Computing kpt #: 240 total cpu time spent up to now is 548.7 secs Computing kpt #: 241 total cpu time spent up to now is 551.0 secs Computing kpt #: 242 total cpu time spent up to now is 552.9 secs Computing kpt #: 243 total cpu time spent up to now is 554.8 secs Computing kpt #: 244 total cpu time spent up to now is 556.8 secs Computing kpt #: 245 total cpu time spent up to now is 558.8 secs Computing kpt #: 246 total cpu time spent up to now is 560.7 secs Computing kpt #: 247 total cpu time spent up to now is 562.6 secs Computing kpt #: 248 total cpu time spent up to now is 564.5 secs Computing kpt #: 249 total cpu time spent up to now is 566.5 secs Computing kpt #: 250 total cpu time spent up to now is 568.4 secs Computing kpt #: 251 total cpu time spent up to now is 569.9 secs Computing kpt #: 252 total cpu time spent up to now is 571.8 secs Computing kpt #: 253 total cpu time spent up to now is 573.4 secs Computing kpt #: 254 total cpu time spent up to now is 574.9 secs Computing kpt #: 255 total cpu time spent up to now is 576.6 secs Computing kpt #: 256 total cpu time spent up to now is 578.3 secs Computing kpt #: 257 total cpu time spent up to now is 579.9 secs Computing kpt #: 258 total cpu time spent up to now is 581.7 secs Computing kpt #: 259 total cpu time spent up to now is 583.7 secs Computing kpt #: 260 total cpu time spent up to now is 585.5 secs Computing kpt #: 261 total cpu time spent up to now is 587.4 secs Computing kpt #: 262 total cpu time spent up to now is 589.4 secs Computing kpt #: 263 total cpu time spent up to now is 591.3 secs Computing kpt #: 264 total cpu time spent up to now is 593.2 secs Computing kpt #: 265 total cpu time spent up to now is 595.3 secs Computing kpt #: 266 total cpu time spent up to now is 597.3 secs Computing kpt #: 267 total cpu time spent up to now is 599.2 secs Computing kpt #: 268 total cpu time spent up to now is 601.2 secs Computing kpt #: 269 total cpu time spent up to now is 603.1 secs Computing kpt #: 270 total cpu time spent up to now is 605.0 secs Computing kpt #: 271 total cpu time spent up to now is 607.1 secs Computing kpt #: 272 total cpu time spent up to now is 609.1 secs Computing kpt #: 273 total cpu time spent up to now is 611.3 secs Computing kpt #: 274 total cpu time spent up to now is 613.5 secs Computing kpt #: 275 total cpu time spent up to now is 615.8 secs Computing kpt #: 276 total cpu time spent up to now is 618.2 secs Computing kpt #: 277 total cpu time spent up to now is 620.7 secs Computing kpt #: 278 total cpu time spent up to now is 623.1 secs Computing kpt #: 279 total cpu time spent up to now is 625.5 secs Computing kpt #: 280 total cpu time spent up to now is 628.1 secs Computing kpt #: 281 total cpu time spent up to now is 630.5 secs Computing kpt #: 282 total cpu time spent up to now is 633.0 secs Computing kpt #: 283 total cpu time spent up to now is 635.4 secs Computing kpt #: 284 total cpu time spent up to now is 637.8 secs Computing kpt #: 285 total cpu time spent up to now is 640.2 secs Computing kpt #: 286 total cpu time spent up to now is 642.7 secs Computing kpt #: 287 total cpu time spent up to now is 644.9 secs Computing kpt #: 288 total cpu time spent up to now is 647.1 secs Computing kpt #: 289 total cpu time spent up to now is 649.4 secs Computing kpt #: 290 total cpu time spent up to now is 651.7 secs Computing kpt #: 291 total cpu time spent up to now is 653.9 secs Computing kpt #: 292 total cpu time spent up to now is 656.4 secs Computing kpt #: 293 total cpu time spent up to now is 658.6 secs Computing kpt #: 294 total cpu time spent up to now is 660.8 secs Computing kpt #: 295 total cpu time spent up to now is 663.3 secs Computing kpt #: 296 total cpu time spent up to now is 665.7 secs Computing kpt #: 297 total cpu time spent up to now is 668.2 secs Computing kpt #: 298 total cpu time spent up to now is 670.3 secs Computing kpt #: 299 total cpu time spent up to now is 673.2 secs Computing kpt #: 300 total cpu time spent up to now is 675.4 secs Computing kpt #: 301 total cpu time spent up to now is 677.8 secs Computing kpt #: 302 total cpu time spent up to now is 680.3 secs Computing kpt #: 303 total cpu time spent up to now is 682.8 secs Computing kpt #: 304 total cpu time spent up to now is 685.2 secs Computing kpt #: 305 total cpu time spent up to now is 687.7 secs Computing kpt #: 306 total cpu time spent up to now is 690.1 secs Computing kpt #: 307 total cpu time spent up to now is 692.6 secs Computing kpt #: 308 total cpu time spent up to now is 695.0 secs Computing kpt #: 309 total cpu time spent up to now is 697.3 secs Computing kpt #: 310 total cpu time spent up to now is 700.0 secs Computing kpt #: 311 total cpu time spent up to now is 702.3 secs Computing kpt #: 312 total cpu time spent up to now is 704.7 secs Computing kpt #: 313 total cpu time spent up to now is 707.0 secs Computing kpt #: 314 total cpu time spent up to now is 709.3 secs Computing kpt #: 315 total cpu time spent up to now is 711.2 secs Computing kpt #: 316 total cpu time spent up to now is 713.2 secs Computing kpt #: 317 total cpu time spent up to now is 715.2 secs Computing kpt #: 318 total cpu time spent up to now is 717.1 secs Computing kpt #: 319 total cpu time spent up to now is 719.1 secs Computing kpt #: 320 total cpu time spent up to now is 721.0 secs Computing kpt #: 321 total cpu time spent up to now is 722.9 secs Computing kpt #: 322 total cpu time spent up to now is 724.8 secs Computing kpt #: 323 total cpu time spent up to now is 726.7 secs Computing kpt #: 324 total cpu time spent up to now is 728.6 secs Computing kpt #: 325 total cpu time spent up to now is 730.4 secs Computing kpt #: 326 total cpu time spent up to now is 732.4 secs Computing kpt #: 327 total cpu time spent up to now is 734.2 secs Computing kpt #: 328 total cpu time spent up to now is 736.2 secs Computing kpt #: 329 total cpu time spent up to now is 738.1 secs Computing kpt #: 330 total cpu time spent up to now is 740.1 secs Computing kpt #: 331 total cpu time spent up to now is 742.1 secs Computing kpt #: 332 total cpu time spent up to now is 744.0 secs Computing kpt #: 333 total cpu time spent up to now is 746.2 secs Computing kpt #: 334 total cpu time spent up to now is 748.8 secs Computing kpt #: 335 total cpu time spent up to now is 750.8 secs Computing kpt #: 336 total cpu time spent up to now is 752.8 secs Computing kpt #: 337 total cpu time spent up to now is 754.8 secs Computing kpt #: 338 total cpu time spent up to now is 756.8 secs Computing kpt #: 339 total cpu time spent up to now is 759.1 secs Computing kpt #: 340 total cpu time spent up to now is 761.4 secs Computing kpt #: 341 total cpu time spent up to now is 763.4 secs Computing kpt #: 342 total cpu time spent up to now is 765.6 secs Computing kpt #: 343 total cpu time spent up to now is 767.7 secs Computing kpt #: 344 total cpu time spent up to now is 769.9 secs Computing kpt #: 345 total cpu time spent up to now is 772.2 secs Computing kpt #: 346 total cpu time spent up to now is 774.3 secs Computing kpt #: 347 total cpu time spent up to now is 776.5 secs Computing kpt #: 348 total cpu time spent up to now is 778.8 secs Computing kpt #: 349 total cpu time spent up to now is 781.0 secs Computing kpt #: 350 total cpu time spent up to now is 783.5 secs Computing kpt #: 351 total cpu time spent up to now is 785.6 secs Computing kpt #: 352 total cpu time spent up to now is 787.8 secs Computing kpt #: 353 total cpu time spent up to now is 790.1 secs Computing kpt #: 354 total cpu time spent up to now is 792.5 secs Computing kpt #: 355 total cpu time spent up to now is 794.8 secs Computing kpt #: 356 total cpu time spent up to now is 797.1 secs Computing kpt #: 357 total cpu time spent up to now is 799.5 secs Computing kpt #: 358 total cpu time spent up to now is 801.9 secs Computing kpt #: 359 total cpu time spent up to now is 804.2 secs Computing kpt #: 360 total cpu time spent up to now is 806.7 secs Computing kpt #: 361 total cpu time spent up to now is 809.1 secs Computing kpt #: 362 total cpu time spent up to now is 811.5 secs Computing kpt #: 363 total cpu time spent up to now is 813.9 secs Computing kpt #: 364 total cpu time spent up to now is 816.3 secs Computing kpt #: 365 total cpu time spent up to now is 819.3 secs Computing kpt #: 366 total cpu time spent up to now is 822.5 secs Computing kpt #: 367 total cpu time spent up to now is 824.9 secs Computing kpt #: 368 total cpu time spent up to now is 827.4 secs Computing kpt #: 369 total cpu time spent up to now is 829.8 secs Computing kpt #: 370 total cpu time spent up to now is 832.2 secs Computing kpt #: 371 total cpu time spent up to now is 834.7 secs Computing kpt #: 372 total cpu time spent up to now is 837.2 secs Computing kpt #: 373 total cpu time spent up to now is 839.7 secs Computing kpt #: 374 total cpu time spent up to now is 842.1 secs Computing kpt #: 375 total cpu time spent up to now is 844.5 secs Computing kpt #: 376 total cpu time spent up to now is 846.9 secs Computing kpt #: 377 total cpu time spent up to now is 849.3 secs Computing kpt #: 378 total cpu time spent up to now is 851.7 secs Computing kpt #: 379 total cpu time spent up to now is 854.2 secs Computing kpt #: 380 total cpu time spent up to now is 856.6 secs Computing kpt #: 381 total cpu time spent up to now is 859.1 secs Computing kpt #: 382 total cpu time spent up to now is 861.5 secs Computing kpt #: 383 total cpu time spent up to now is 863.9 secs Computing kpt #: 384 total cpu time spent up to now is 866.2 secs ethr = 2.00E-11, avg # of iterations = 31.8 total cpu time spent up to now is 866.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2283 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3673 -29.3673 -29.2852 -29.2852 -28.5806 -28.5806 -28.5027 -28.5027 -28.3907 -28.3907 -28.2444 -28.2444 -9.2219 -9.2219 -7.7018 -7.7018 -7.4874 -7.4874 -7.2177 -7.2177 3.1632 3.1632 3.8440 3.8440 3.9551 3.9551 5.5679 5.5679 6.2797 6.2797 6.2938 6.2938 6.5783 6.5783 7.1391 7.1391 8.7000 8.7000 8.7577 8.7577 8.8811 8.8811 9.2510 9.2510 9.8763 9.8763 10.1716 10.1716 10.7593 10.7593 10.7982 10.7982 10.8336 10.8336 12.8491 12.8491 k = 0.0000 0.0000 0.0090 ( 2283 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3673 -29.3673 -29.2852 -29.2852 -28.5806 -28.5806 -28.5027 -28.5027 -28.3907 -28.3907 -28.2444 -28.2444 -9.2212 -9.2212 -7.7016 -7.7016 -7.4882 -7.4882 -7.2183 -7.2183 3.1649 3.1649 3.8451 3.8451 3.9566 3.9566 5.5683 5.5683 6.2800 6.2800 6.2926 6.2926 6.5761 6.5761 7.1386 7.1386 8.6973 8.6973 8.7535 8.7535 8.8779 8.8779 9.2509 9.2509 9.8792 9.8792 10.1726 10.1726 10.7614 10.7614 10.8006 10.8006 10.8352 10.8352 12.8502 12.8502 k = 0.0000 0.0000 0.0179 ( 2286 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3672 -29.3672 -29.2853 -29.2853 -28.5806 -28.5806 -28.5027 -28.5027 -28.3908 -28.3908 -28.2444 -28.2444 -9.2189 -9.2189 -7.7012 -7.7012 -7.4905 -7.4905 -7.2199 -7.2199 3.1700 3.1700 3.8482 3.8482 3.9613 3.9613 5.5693 5.5693 6.2812 6.2812 6.2888 6.2888 6.5695 6.5695 7.1370 7.1370 8.6891 8.6891 8.7410 8.7410 8.8685 8.8685 9.2506 9.2506 9.8878 9.8878 10.1757 10.1757 10.7678 10.7678 10.8078 10.8078 10.8401 10.8401 12.8536 12.8536 k = 0.0000 0.0000 0.0269 ( 2284 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3671 -29.3671 -29.2854 -29.2854 -28.5805 -28.5805 -28.5027 -28.5027 -28.3909 -28.3909 -28.2445 -28.2445 -9.2150 -9.2150 -7.7004 -7.7004 -7.4943 -7.4943 -7.2226 -7.2226 3.1784 3.1784 3.8535 3.8535 3.9690 3.9690 5.5710 5.5710 6.2824 6.2824 6.2832 6.2832 6.5586 6.5586 7.1345 7.1345 8.6754 8.6754 8.7205 8.7205 8.8535 8.8535 9.2497 9.2497 9.9016 9.9016 10.1808 10.1808 10.7782 10.7782 10.8194 10.8194 10.8486 10.8486 12.8591 12.8591 k = 0.0000 0.0000 0.0359 ( 2280 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3669 -29.3669 -29.2856 -29.2856 -28.5804 -28.5804 -28.5027 -28.5027 -28.3910 -28.3910 -28.2445 -28.2445 -9.2097 -9.2097 -7.6994 -7.6994 -7.4997 -7.4997 -7.2263 -7.2263 3.1902 3.1902 3.8608 3.8608 3.9799 3.9799 5.5734 5.5734 6.2737 6.2737 6.2856 6.2856 6.5435 6.5435 7.1310 7.1310 8.6559 8.6559 8.6926 8.6926 8.8340 8.8340 9.2481 9.2481 9.9200 9.9200 10.1879 10.1879 10.7926 10.7926 10.8346 10.8346 10.8611 10.8611 12.8664 12.8664 k = 0.0000 0.0000 0.0449 ( 2280 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3667 -29.3667 -29.2858 -29.2858 -28.5802 -28.5802 -28.5027 -28.5027 -28.3912 -28.3912 -28.2446 -28.2446 -9.2028 -9.2028 -7.6981 -7.6981 -7.5066 -7.5066 -7.2309 -7.2309 3.2052 3.2052 3.8702 3.8702 3.9940 3.9940 5.5764 5.5764 6.2623 6.2623 6.2890 6.2890 6.5242 6.5242 7.1267 7.1267 8.6294 8.6294 8.6593 8.6593 8.8109 8.8109 9.2456 9.2456 9.9424 9.9424 10.1969 10.1969 10.8105 10.8105 10.8520 10.8520 10.8785 10.8785 12.8748 12.8748 k = 0.0000 0.0000 0.0538 ( 2280 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3665 -29.3665 -29.2860 -29.2860 -28.5800 -28.5800 -28.5026 -28.5026 -28.3914 -28.3914 -28.2446 -28.2446 -9.1944 -9.1944 -7.6966 -7.6966 -7.5151 -7.5151 -7.2364 -7.2364 3.2235 3.2235 3.8817 3.8817 4.0112 4.0112 5.5800 5.5800 6.2483 6.2483 6.2930 6.2930 6.5009 6.5009 7.1214 7.1214 8.5928 8.5928 8.6243 8.6243 8.7854 8.7854 9.2418 9.2418 9.9679 9.9679 10.2077 10.2077 10.8316 10.8316 10.8708 10.8708 10.9016 10.9016 12.8838 12.8838 k = 0.0000 0.0000 0.0628 ( 2284 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3662 -29.3662 -29.2863 -29.2863 -28.5798 -28.5798 -28.5026 -28.5026 -28.3916 -28.3916 -28.2447 -28.2447 -9.1846 -9.1846 -7.6949 -7.6949 -7.5252 -7.5252 -7.2427 -7.2427 3.2448 3.2448 3.8952 3.8952 4.0316 4.0316 5.5843 5.5843 6.2317 6.2317 6.2977 6.2977 6.4739 6.4739 7.1155 7.1155 8.5448 8.5448 8.5897 8.5897 8.7583 8.7583 9.2366 9.2366 9.9958 9.9958 10.2202 10.2202 10.8557 10.8557 10.8908 10.8908 10.9298 10.9298 12.8919 12.8919 k = 0.0000 0.0000 0.0718 ( 2282 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3659 -29.3659 -29.2867 -29.2867 -28.5796 -28.5796 -28.5025 -28.5025 -28.3919 -28.3919 -28.2448 -28.2448 -9.1732 -9.1732 -7.6930 -7.6930 -7.5369 -7.5369 -7.2496 -7.2496 3.2692 3.2692 3.9106 3.9106 4.0552 4.0552 5.5892 5.5892 6.2124 6.2124 6.3031 6.3031 6.4433 6.4433 7.1089 7.1089 8.4879 8.4879 8.5541 8.5541 8.7305 8.7305 9.2299 9.2299 10.0253 10.0253 10.2343 10.2343 10.8824 10.8824 10.9124 10.9124 10.9623 10.9623 12.8977 12.8977 k = 0.0000 0.0000 0.0808 ( 2282 PWs) bands (ev): -54.9906 -54.9906 -54.9012 -54.9012 -29.3655 -29.3655 -29.2870 -29.2870 -28.5794 -28.5794 -28.5025 -28.5025 -28.3922 -28.3922 -28.2449 -28.2449 -9.1604 -9.1604 -7.6911 -7.6911 -7.5500 -7.5500 -7.2572 -7.2572 3.2966 3.2966 3.9281 3.9281 4.0820 4.0820 5.5946 5.5946 6.1904 6.1904 6.3091 6.3091 6.4093 6.4093 7.1017 7.1017 8.4240 8.4240 8.5164 8.5164 8.7027 8.7027 9.2217 9.2217 10.0558 10.0558 10.2500 10.2500 10.9112 10.9112 10.9361 10.9361 10.9982 10.9982 12.8995 12.8995 k = 0.0000 0.0000 0.0897 ( 2284 PWs) bands (ev): -54.9906 -54.9906 -54.9013 -54.9013 -29.3651 -29.3651 -29.2874 -29.2874 -28.5791 -28.5791 -28.5024 -28.5024 -28.3926 -28.3926 -28.2450 -28.2450 -9.1461 -9.1461 -7.6894 -7.6894 -7.5645 -7.5645 -7.2652 -7.2652 3.3267 3.3267 3.9475 3.9475 4.1121 4.1121 5.6006 5.6006 6.1657 6.1657 6.3157 6.3157 6.3721 6.3721 7.0941 7.0941 8.3542 8.3542 8.4765 8.4765 8.6753 8.6753 9.2118 9.2118 10.0865 10.0865 10.2670 10.2670 10.9419 10.9419 10.9621 10.9621 11.0370 11.0370 12.8960 12.8960 k = 0.0000 0.0000 0.0987 ( 2284 PWs) bands (ev): -54.9906 -54.9906 -54.9013 -54.9013 -29.3646 -29.3646 -29.2879 -29.2879 -28.5788 -28.5788 -28.5024 -28.5024 -28.3929 -28.3929 -28.2451 -28.2451 -9.1304 -9.1304 -7.6880 -7.6880 -7.5801 -7.5801 -7.2736 -7.2736 3.3596 3.3596 3.9688 3.9688 4.1454 4.1454 5.6071 5.6071 6.1382 6.1382 6.3224 6.3224 6.3325 6.3325 7.0863 7.0863 8.2793 8.2793 8.4345 8.4345 8.6489 8.6489 9.2005 9.2005 10.1171 10.1171 10.2854 10.2854 10.9738 10.9738 10.9905 10.9905 11.0779 11.0779 12.8869 12.8869 k = 0.0000 0.0000 0.1077 ( 2284 PWs) bands (ev): -54.9906 -54.9906 -54.9013 -54.9013 -29.3641 -29.3641 -29.2884 -29.2884 -28.5785 -28.5785 -28.5023 -28.5023 -28.3933 -28.3933 -28.2452 -28.2452 -9.1133 -9.1133 -7.6877 -7.6877 -7.5961 -7.5961 -7.2823 -7.2823 3.3950 3.3950 3.9920 3.9920 4.1820 4.1820 5.6141 5.6141 6.1079 6.1079 6.2893 6.2893 6.3306 6.3306 7.0783 7.0783 8.1999 8.1999 8.3906 8.3906 8.6238 8.6238 9.1876 9.1876 10.1471 10.1471 10.3049 10.3049 11.0065 11.0065 11.0216 11.0216 11.1207 11.1207 12.8726 12.8726 k = 0.0000 0.0000 0.1167 ( 2286 PWs) bands (ev): -54.9906 -54.9906 -54.9013 -54.9013 -29.3636 -29.3636 -29.2889 -29.2889 -28.5781 -28.5781 -28.5023 -28.5023 -28.3938 -28.3938 -28.2453 -28.2453 -9.0948 -9.0948 -7.6897 -7.6897 -7.6114 -7.6114 -7.2913 -7.2913 3.4328 3.4328 4.0170 4.0170 4.2220 4.2220 5.6214 5.6214 6.0747 6.0747 6.2444 6.2444 6.3386 6.3386 7.0703 7.0703 8.1164 8.1164 8.3452 8.3452 8.6004 8.6004 9.1733 9.1733 10.1760 10.1760 10.3254 10.3254 11.0398 11.0398 11.0554 11.0554 11.1649 11.1649 12.8538 12.8538 k = 0.0000 0.0000 0.1256 ( 2284 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3631 -29.3631 -29.2894 -29.2894 -28.5778 -28.5778 -28.5022 -28.5022 -28.3942 -28.3942 -28.2454 -28.2454 -9.0749 -9.0749 -7.6958 -7.6958 -7.6239 -7.6239 -7.3005 -7.3005 3.4729 3.4729 4.0438 4.0438 4.2653 4.2653 5.6292 5.6292 6.0388 6.0388 6.1975 6.1975 6.3470 6.3470 7.0626 7.0626 8.0293 8.0293 8.2984 8.2984 8.5788 8.5788 9.1576 9.1576 10.2037 10.2037 10.3466 10.3466 11.0737 11.0737 11.0914 11.0914 11.2100 11.2100 12.8312 12.8312 k = 0.0000 0.0000 0.1346 ( 2284 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3625 -29.3625 -29.2900 -29.2900 -28.5774 -28.5774 -28.5021 -28.5021 -28.3946 -28.3946 -28.2455 -28.2455 -9.0537 -9.0537 -7.7082 -7.7082 -7.6316 -7.6316 -7.3099 -7.3099 3.5152 3.5152 4.0724 4.0724 4.3118 4.3118 5.6373 5.6373 6.0000 6.0000 6.1488 6.1488 6.3556 6.3556 7.0552 7.0552 7.9390 7.9390 8.2506 8.2506 8.5592 8.5592 9.1406 9.1406 10.2301 10.2301 10.3685 10.3685 11.1085 11.1085 11.1292 11.1292 11.2557 11.2557 12.8056 12.8056 k = 0.0000 0.0000 0.1436 ( 2285 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3619 -29.3619 -29.2906 -29.2906 -28.5770 -28.5770 -28.5021 -28.5021 -28.3951 -28.3951 -28.2456 -28.2456 -9.0311 -9.0311 -7.7269 -7.7269 -7.6343 -7.6343 -7.3193 -7.3193 3.5594 3.5594 4.1027 4.1027 4.3617 4.3617 5.6456 5.6456 5.9583 5.9583 6.0987 6.0987 6.3644 6.3644 7.0485 7.0485 7.8458 7.8458 8.2021 8.2021 8.5419 8.5419 9.1224 9.1224 10.2550 10.2550 10.3906 10.3906 11.1443 11.1443 11.1682 11.1682 11.3017 11.3017 12.7774 12.7774 k = 0.0000 0.0000 0.1526 ( 2283 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3613 -29.3613 -29.2912 -29.2912 -28.5766 -28.5766 -28.5020 -28.5020 -28.3956 -28.3956 -28.2458 -28.2458 -9.0074 -9.0074 -7.7504 -7.7504 -7.6335 -7.6335 -7.3288 -7.3288 3.6054 3.6054 4.1347 4.1347 4.4149 4.4149 5.6542 5.6542 5.9139 5.9139 6.0476 6.0476 6.3733 6.3733 7.0425 7.0425 7.7502 7.7502 8.1530 8.1530 8.5269 8.5269 9.1030 9.1030 10.2784 10.2784 10.4127 10.4127 11.1812 11.1812 11.2083 11.2083 11.3475 11.3475 12.7470 12.7470 k = 0.0000 0.0000 0.1615 ( 2283 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3607 -29.3607 -29.2918 -29.2918 -28.5763 -28.5763 -28.5019 -28.5019 -28.3960 -28.3960 -28.2459 -28.2459 -8.9823 -8.9823 -7.7771 -7.7771 -7.6306 -7.6306 -7.3384 -7.3384 3.6530 3.6530 4.1682 4.1682 4.4714 4.4714 5.6630 5.6630 5.8669 5.8669 5.9956 5.9956 6.3820 6.3820 7.0376 7.0376 7.6524 7.6524 8.1035 8.1035 8.5143 8.5143 9.0827 9.0827 10.3005 10.3005 10.4346 10.4346 11.2189 11.2189 11.2492 11.2492 11.3928 11.3928 12.7146 12.7146 k = 0.0000 0.0000 0.1705 ( 2281 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3601 -29.3601 -29.2925 -29.2925 -28.5759 -28.5759 -28.5018 -28.5018 -28.3965 -28.3965 -28.2460 -28.2460 -8.9561 -8.9561 -7.8062 -7.8062 -7.6264 -7.6264 -7.3481 -7.3481 3.7022 3.7022 4.2032 4.2032 4.5312 4.5312 5.6718 5.6718 5.8173 5.8173 5.9429 5.9429 6.3906 6.3906 7.0339 7.0339 7.5526 7.5526 8.0539 8.0539 8.5041 8.5041 9.0614 9.0614 10.3212 10.3212 10.4558 10.4558 11.2573 11.2573 11.2909 11.2909 11.4374 11.4374 12.6806 12.6806 k = 0.0000 0.0000 0.1795 ( 2281 PWs) bands (ev): -54.9905 -54.9905 -54.9013 -54.9013 -29.3595 -29.3595 -29.2931 -29.2931 -28.5755 -28.5755 -28.5018 -28.5018 -28.3970 -28.3970 -28.2462 -28.2462 -8.9287 -8.9287 -7.8372 -7.8372 -7.6213 -7.6213 -7.3578 -7.3578 3.7527 3.7527 4.2397 4.2397 4.5941 4.5941 5.6807 5.6807 5.7655 5.7655 5.8899 5.8899 6.3989 6.3989 7.0317 7.0317 7.4512 7.4512 8.0043 8.0043 8.4962 8.4962 9.0393 9.0393 10.3407 10.3407 10.4763 10.4763 11.2964 11.2964 11.3332 11.3332 11.4808 11.4808 12.6451 12.6451 k = 0.0000 0.0000 0.1885 ( 2279 PWs) bands (ev): -54.9905 -54.9905 -54.9014 -54.9014 -29.3589 -29.3589 -29.2937 -29.2937 -28.5751 -28.5751 -28.5017 -28.5017 -28.3974 -28.3974 -28.2463 -28.2463 -8.9002 -8.9002 -7.8697 -7.8697 -7.6156 -7.6156 -7.3675 -7.3675 3.8043 3.8043 4.2775 4.2775 4.6602 4.6602 5.6892 5.6892 5.7119 5.7119 5.8365 5.8365 6.4067 6.4067 7.0312 7.0312 7.3484 7.3484 7.9550 7.9550 8.4907 8.4907 9.0166 9.0166 10.3589 10.3589 10.4959 10.4959 11.3357 11.3357 11.3761 11.3761 11.5226 11.5226 12.6082 12.6082 k = 0.0000 0.0000 0.1974 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3582 -29.3582 -29.2944 -29.2944 -28.5748 -28.5748 -28.5016 -28.5016 -28.3979 -28.3979 -28.2464 -28.2464 -8.8706 -8.8706 -7.9035 -7.9035 -7.6094 -7.6094 -7.3772 -7.3772 3.8570 3.8570 4.3165 4.3165 4.7293 4.7293 5.6559 5.6559 5.6986 5.6986 5.7829 5.7829 6.4140 6.4140 7.0325 7.0325 7.2445 7.2445 7.9061 7.9061 8.4876 8.4876 8.9933 8.9933 10.3760 10.3760 10.5143 10.5143 11.3753 11.3753 11.4194 11.4194 11.5627 11.5627 12.5701 12.5701 k = 0.0000 0.0000 0.2064 ( 2277 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3576 -29.3576 -29.2950 -29.2950 -28.5744 -28.5744 -28.5016 -28.5016 -28.3983 -28.3983 -28.2465 -28.2465 -8.8400 -8.8400 -7.9384 -7.9384 -7.6028 -7.6028 -7.3869 -7.3869 3.9104 3.9104 4.3566 4.3566 4.8014 4.8014 5.5994 5.5994 5.7068 5.7068 5.7294 5.7294 6.4206 6.4206 7.0357 7.0357 7.1396 7.1396 7.8578 7.8578 8.4866 8.4866 8.9696 8.9696 10.3919 10.3919 10.5314 10.5314 11.4147 11.4147 11.4632 11.4632 11.6006 11.6006 12.5310 12.5310 k = 0.0000 0.0000 0.2154 ( 2268 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3570 -29.3570 -29.2956 -29.2956 -28.5741 -28.5741 -28.5015 -28.5015 -28.3987 -28.3987 -28.2466 -28.2466 -8.8084 -8.8084 -7.9743 -7.9743 -7.5959 -7.5959 -7.3967 -7.3967 3.9644 3.9644 4.3976 4.3976 4.8762 4.8762 5.5421 5.5421 5.6753 5.6753 5.7155 5.7155 6.4264 6.4264 7.0321 7.0321 7.0431 7.0431 7.8102 7.8102 8.4878 8.4878 8.9457 8.9457 10.4066 10.4066 10.5473 10.5473 11.4539 11.4539 11.5073 11.5073 11.6359 11.6359 12.4909 12.4909 k = 0.0000 0.0000 0.2244 ( 2270 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3565 -29.3565 -29.2961 -29.2961 -28.5737 -28.5737 -28.5015 -28.5015 -28.3991 -28.3991 -28.2467 -28.2467 -8.7759 -8.7759 -8.0109 -8.0109 -7.5886 -7.5886 -7.4064 -7.4064 4.0188 4.0188 4.4393 4.4393 4.9536 4.9536 5.4847 5.4847 5.6218 5.6218 5.7234 5.7234 6.4315 6.4315 6.9275 6.9275 7.0491 7.0491 7.7637 7.7637 8.4910 8.4910 8.9217 8.9217 10.4202 10.4202 10.5618 10.5618 11.4924 11.4924 11.5517 11.5517 11.6684 11.6684 12.4500 12.4500 k = 0.0000 0.0000 0.2333 ( 2275 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3559 -29.3559 -29.2967 -29.2967 -28.5734 -28.5734 -28.5014 -28.5014 -28.3995 -28.3995 -28.2468 -28.2468 -8.7426 -8.7426 -8.0482 -8.0482 -7.5811 -7.5811 -7.4162 -7.4162 4.0733 4.0733 4.4814 4.4814 5.0332 5.0332 5.4279 5.4279 5.5688 5.5688 5.7308 5.7308 6.4357 6.4357 6.8211 6.8211 7.0589 7.0589 7.7182 7.7182 8.4959 8.4959 8.8977 8.8977 10.4326 10.4326 10.5749 10.5749 11.5300 11.5300 11.5963 11.5963 11.6977 11.6977 12.4083 12.4083 k = 0.0000 0.0000 0.2423 ( 2274 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3554 -29.3554 -29.2972 -29.2972 -28.5732 -28.5732 -28.5013 -28.5013 -28.3998 -28.3998 -28.2469 -28.2469 -8.7085 -8.7085 -8.0860 -8.0860 -7.5733 -7.5733 -7.4259 -7.4259 4.1274 4.1274 4.5235 4.5235 5.1142 5.1142 5.3727 5.3727 5.5168 5.5168 5.7379 5.7379 6.4392 6.4392 6.7146 6.7146 7.0709 7.0709 7.6742 7.6742 8.5026 8.5026 8.8741 8.8741 10.4438 10.4438 10.5866 10.5866 11.5664 11.5664 11.6411 11.6411 11.7234 11.7234 12.3660 12.3660 k = 0.0000 0.0000 0.2513 ( 2270 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3550 -29.3550 -29.2977 -29.2977 -28.5729 -28.5729 -28.5013 -28.5013 -28.4001 -28.4001 -28.2470 -28.2470 -8.6737 -8.6737 -8.1242 -8.1242 -7.5653 -7.5653 -7.4356 -7.4356 4.1808 4.1808 4.5651 4.5651 5.1937 5.1937 5.3214 5.3214 5.4674 5.4674 5.7443 5.7443 6.4419 6.4419 6.6081 6.6081 7.0848 7.0848 7.6320 7.6320 8.5106 8.5106 8.8511 8.8511 10.4538 10.4538 10.5968 10.5968 11.6012 11.6012 11.6859 11.6859 11.7454 11.7454 12.3232 12.3232 k = 0.0000 0.0000 0.2603 ( 2270 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3545 -29.3545 -29.2981 -29.2981 -28.5727 -28.5727 -28.5013 -28.5013 -28.4004 -28.4004 -28.2471 -28.2471 -8.6384 -8.6384 -8.1625 -8.1625 -7.5571 -7.5571 -7.4453 -7.4453 4.2328 4.2328 4.6054 4.6054 5.2441 5.2441 5.2972 5.2972 5.4265 5.4265 5.7500 5.7500 6.4439 6.4439 6.5019 6.5019 7.1003 7.1003 7.5918 7.5918 8.5197 8.5197 8.8290 8.8290 10.4625 10.4625 10.6057 10.6057 11.6342 11.6342 11.7303 11.7303 11.7637 11.7637 12.2798 12.2798 k = 0.0000 0.0000 0.2692 ( 2265 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3542 -29.3542 -29.2984 -29.2984 -28.5725 -28.5725 -28.5012 -28.5012 -28.4006 -28.4006 -28.2471 -28.2471 -8.6027 -8.6027 -8.2009 -8.2009 -7.5487 -7.5487 -7.4549 -7.4549 4.2824 4.2824 4.6433 4.6433 5.2132 5.2132 5.3188 5.3188 5.4295 5.4295 5.7550 5.7550 6.3960 6.3960 6.4456 6.4456 7.1169 7.1169 7.5543 7.5543 8.5296 8.5296 8.8081 8.8081 10.4700 10.4700 10.6131 10.6131 11.6649 11.6649 11.7688 11.7688 11.7835 11.7835 12.2362 12.2362 k = 0.0000 0.0000 0.2782 ( 2261 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3539 -29.3539 -29.2987 -29.2987 -28.5723 -28.5723 -28.5012 -28.5012 -28.4008 -28.4008 -28.2472 -28.2472 -8.5668 -8.5668 -8.2390 -8.2390 -7.5402 -7.5402 -7.4644 -7.4644 4.3284 4.3284 4.6773 4.6773 5.1761 5.1761 5.2908 5.2908 5.4995 5.4995 5.7592 5.7592 6.2909 6.2909 6.4466 6.4466 7.1340 7.1340 7.5202 7.5202 8.5396 8.5396 8.7890 8.7890 10.4762 10.4762 10.6192 10.6192 11.6929 11.6929 11.7826 11.7826 11.8234 11.8234 12.1924 12.1924 k = 0.0000 0.0000 0.2872 ( 2258 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3536 -29.3536 -29.2990 -29.2990 -28.5722 -28.5722 -28.5012 -28.5012 -28.4010 -28.4010 -28.2472 -28.2472 -8.5313 -8.5313 -8.2762 -8.2762 -7.5316 -7.5316 -7.4737 -7.4737 4.3690 4.3690 4.7054 4.7054 5.1475 5.1475 5.2506 5.2506 5.5880 5.5880 5.7626 5.7626 6.1867 6.1867 6.4473 6.4473 7.1503 7.1503 7.4906 7.4906 8.5492 8.5492 8.7724 8.7724 10.4810 10.4810 10.6239 10.6239 11.7180 11.7180 11.7872 11.7872 11.8673 11.8673 12.1487 12.1487 k = 0.0000 0.0000 0.2962 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3535 -29.3535 -29.2992 -29.2992 -28.5721 -28.5721 -28.5012 -28.5012 -28.4011 -28.4011 -28.2472 -28.2472 -8.4972 -8.4972 -8.3115 -8.3115 -7.5232 -7.5232 -7.4827 -7.4827 4.4016 4.4016 4.7258 4.7258 5.1310 5.1310 5.2120 5.2120 5.6818 5.6818 5.7650 5.7650 6.0836 6.0836 6.4478 6.4478 7.1644 7.1644 7.4670 7.4670 8.5573 8.5573 8.7593 8.7593 10.4844 10.4844 10.6272 10.6272 11.7397 11.7397 11.7868 11.7868 11.9106 11.9106 12.1058 12.1058 k = 0.0000 0.0000 0.3051 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3534 -29.3534 -29.2993 -29.2993 -28.5721 -28.5721 -28.5011 -28.5011 -28.4011 -28.4011 -28.2473 -28.2473 -8.4681 -8.4681 -8.3414 -8.3414 -7.5154 -7.5154 -7.4908 -7.4908 4.4231 4.4231 4.7376 4.7376 5.1277 5.1277 5.1803 5.1803 5.7662 5.7662 5.7780 5.7780 5.9824 5.9824 6.4480 6.4480 7.1742 7.1742 7.4515 7.4515 8.5628 8.5628 8.7507 8.7507 10.4865 10.4865 10.6292 10.6292 11.7577 11.7577 11.7816 11.7816 11.9507 11.9507 12.0660 12.0660 k = 0.0000 0.0000 0.3141 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5721 -28.5721 -28.5011 -28.5011 -28.4012 -28.4012 -28.2473 -28.2473 -8.4547 -8.4547 -8.3551 -8.3551 -7.5112 -7.5112 -7.4951 -7.4951 4.4306 4.4306 4.7414 4.7414 5.1308 5.1308 5.1653 5.1653 5.7669 5.7669 5.8577 5.8577 5.9009 5.9009 6.4481 6.4481 7.1778 7.1778 7.4461 7.4461 8.5648 8.5648 8.7477 8.7477 10.4872 10.4872 10.6299 10.6299 11.7704 11.7704 11.7732 11.7732 11.9730 11.9730 12.0438 12.0438 k = 0.0000 0.0000 0.3141 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5721 -28.5721 -28.5011 -28.5011 -28.4012 -28.4012 -28.2473 -28.2473 -8.4547 -8.4547 -8.3551 -8.3551 -7.5112 -7.5112 -7.4951 -7.4951 4.4306 4.4306 4.7414 4.7414 5.1308 5.1308 5.1653 5.1653 5.7669 5.7669 5.8577 5.8577 5.9009 5.9009 6.4481 6.4481 7.1778 7.1778 7.4461 7.4461 8.5648 8.5648 8.7477 8.7477 10.4872 10.4872 10.6299 10.6299 11.7704 11.7704 11.7732 11.7732 11.9730 11.9730 12.0438 12.0438 k = 0.0000 0.0092 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5721 -28.5721 -28.5012 -28.5012 -28.4012 -28.4012 -28.2473 -28.2473 -8.4552 -8.4552 -8.3544 -8.3544 -7.5124 -7.5124 -7.4940 -7.4940 4.4243 4.4243 4.7341 4.7341 5.1376 5.1376 5.1706 5.1706 5.7661 5.7661 5.8570 5.8570 5.9074 5.9074 6.4473 6.4473 7.1784 7.1784 7.4481 7.4481 8.5625 8.5625 8.7453 8.7453 10.4864 10.4864 10.6292 10.6292 11.7677 11.7677 11.7716 11.7716 11.9742 11.9742 12.0448 12.0448 k = 0.0000 0.0184 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5721 -28.5721 -28.5012 -28.5012 -28.4011 -28.4011 -28.2472 -28.2472 -8.4569 -8.4569 -8.3523 -8.3523 -7.5154 -7.5154 -7.4912 -7.4912 4.4060 4.4060 4.7134 4.7134 5.1568 5.1568 5.1859 5.1859 5.7640 5.7640 5.8573 5.8573 5.9247 5.9247 6.4452 6.4452 7.1805 7.1805 7.4540 7.4540 8.5556 8.5556 8.7381 8.7381 10.4840 10.4840 10.6271 10.6271 11.7602 11.7602 11.7662 11.7662 11.9777 11.9777 12.0478 12.0478 k = 0.0000 0.0275 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3534 -29.3534 -29.2993 -29.2993 -28.5721 -28.5721 -28.5013 -28.5013 -28.4010 -28.4010 -28.2472 -28.2472 -8.4596 -8.4596 -8.3489 -8.3489 -7.5192 -7.5192 -7.4877 -7.4877 4.3775 4.3775 4.6825 4.6825 5.1850 5.1850 5.2097 5.2097 5.7605 5.7605 5.8613 5.8613 5.9498 5.9498 6.4415 6.4415 7.1841 7.1841 7.4637 7.4637 8.5442 8.5442 8.7262 8.7262 10.4800 10.4800 10.6236 10.6236 11.7483 11.7483 11.7568 11.7568 11.9836 11.9836 12.0527 12.0527 k = 0.0000 0.0367 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3534 -29.3534 -29.2994 -29.2994 -28.5721 -28.5721 -28.5014 -28.5014 -28.4009 -28.4009 -28.2472 -28.2472 -8.4630 -8.4630 -8.3444 -8.3444 -7.5235 -7.5235 -7.4840 -7.4840 4.3410 4.3410 4.6445 4.6445 5.2185 5.2185 5.2404 5.2404 5.7557 5.7557 5.8706 5.8706 5.9813 5.9813 6.4365 6.4365 7.1893 7.1893 7.4769 7.4769 8.5283 8.5283 8.7096 8.7096 10.4744 10.4744 10.6188 10.6188 11.7322 11.7322 11.7436 11.7436 11.9918 11.9918 12.0596 12.0596 k = 0.0000 0.0459 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3535 -29.3535 -29.2994 -29.2994 -28.5721 -28.5721 -28.5015 -28.5015 -28.4007 -28.4007 -28.2472 -28.2472 -8.4671 -8.4671 -8.3391 -8.3391 -7.5279 -7.5279 -7.4802 -7.4802 4.2986 4.2986 4.6017 4.6017 5.2542 5.2542 5.2768 5.2768 5.7496 5.7496 5.8855 5.8855 6.0183 6.0183 6.4302 6.4302 7.1962 7.1962 7.4933 7.4933 8.5081 8.5081 8.6886 8.6886 10.4672 10.4672 10.6125 10.6125 11.7122 11.7122 11.7266 11.7266 12.0020 12.0020 12.0682 12.0682 k = 0.0000 0.0551 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3535 -29.3535 -29.2994 -29.2994 -28.5721 -28.5721 -28.5016 -28.5016 -28.4006 -28.4006 -28.2471 -28.2471 -8.4717 -8.4717 -8.3330 -8.3330 -7.5325 -7.5325 -7.4764 -7.4764 4.2520 4.2520 4.5560 4.5560 5.2901 5.2901 5.3176 5.3176 5.7424 5.7424 5.9064 5.9064 6.0604 6.0604 6.4227 6.4227 7.2050 7.2050 7.5125 7.5125 8.4838 8.4838 8.6633 8.6633 10.4584 10.4584 10.6049 10.6049 11.6885 11.6885 11.7061 11.7061 12.0142 12.0142 12.0786 12.0786 k = 0.0000 0.0643 0.3141 ( 2259 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3536 -29.3536 -29.2995 -29.2995 -28.5721 -28.5721 -28.5018 -28.5018 -28.4004 -28.4004 -28.2471 -28.2471 -8.4765 -8.4765 -8.3263 -8.3263 -7.5372 -7.5372 -7.4726 -7.4726 4.2027 4.2027 4.5086 4.5086 5.3261 5.3261 5.3605 5.3605 5.7342 5.7342 5.9333 5.9333 6.1070 6.1070 6.4140 6.4140 7.2156 7.2156 7.5343 7.5343 8.4556 8.4556 8.6340 8.6340 10.4480 10.4480 10.5958 10.5958 11.6616 11.6616 11.6824 11.6824 12.0281 12.0281 12.0905 12.0905 k = 0.0000 0.0735 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3537 -29.3537 -29.2995 -29.2995 -28.5721 -28.5721 -28.5019 -28.5019 -28.4001 -28.4001 -28.2470 -28.2470 -8.4815 -8.4815 -8.3192 -8.3192 -7.5420 -7.5420 -7.4689 -7.4689 4.1516 4.1516 4.4602 4.4602 5.3622 5.3622 5.4042 5.4042 5.7250 5.7250 5.9662 5.9662 6.1575 6.1575 6.4042 6.4042 7.2282 7.2282 7.5583 7.5583 8.4236 8.4236 8.6008 8.6008 10.4360 10.4360 10.5853 10.5853 11.6318 11.6318 11.6558 11.6558 12.0436 12.0436 12.1038 12.1038 k = 0.0000 0.0826 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3538 -29.3538 -29.2996 -29.2996 -28.5722 -28.5722 -28.5021 -28.5021 -28.3999 -28.3999 -28.2469 -28.2469 -8.4867 -8.4867 -8.3117 -8.3117 -7.5468 -7.5468 -7.4653 -7.4653 4.0996 4.0996 4.4114 4.4114 5.3986 5.3986 5.4475 5.4475 5.7151 5.7151 6.0048 6.0048 6.2116 6.2116 6.3937 6.3937 7.2427 7.2427 7.5842 7.5842 8.3881 8.3881 8.5641 8.5641 10.4225 10.4225 10.5734 10.5734 11.5993 11.5993 11.6266 11.6266 12.0603 12.0603 12.1184 12.1184 k = 0.0000 0.0918 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3539 -29.3539 -29.2996 -29.2996 -28.5722 -28.5722 -28.5024 -28.5024 -28.3996 -28.3996 -28.2469 -28.2469 -8.4919 -8.4919 -8.3040 -8.3040 -7.5516 -7.5516 -7.4618 -7.4618 4.0474 4.0474 4.3629 4.3629 5.4353 5.4353 5.4901 5.4901 5.7045 5.7045 6.0487 6.0487 6.2685 6.2685 6.3823 6.3823 7.2590 7.2590 7.6117 7.6117 8.3494 8.3494 8.5240 8.5240 10.4074 10.4074 10.5601 10.5601 11.5647 11.5647 11.5951 11.5951 12.0782 12.0782 12.1341 12.1341 k = 0.0000 0.1010 0.3141 ( 2259 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3540 -29.3540 -29.2997 -29.2997 -28.5722 -28.5722 -28.5026 -28.5026 -28.3993 -28.3993 -28.2468 -28.2468 -8.4972 -8.4972 -8.2960 -8.2960 -7.5565 -7.5565 -7.4584 -7.4584 3.9953 3.9953 4.3148 4.3148 5.4725 5.4725 5.5319 5.5319 5.6934 5.6934 6.0973 6.0973 6.3277 6.3277 6.3705 6.3705 7.2770 7.2770 7.6405 7.6405 8.3078 8.3078 8.4810 8.4810 10.3907 10.3907 10.5454 10.5454 11.5281 11.5281 11.5616 11.5616 12.0968 12.0968 12.1507 12.1507 k = 0.0000 0.1102 0.3141 ( 2268 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3541 -29.3541 -29.2998 -29.2998 -28.5722 -28.5722 -28.5028 -28.5028 -28.3989 -28.3989 -28.2467 -28.2467 -8.5024 -8.5024 -8.2878 -8.2878 -7.5614 -7.5614 -7.4551 -7.4551 3.9437 3.9437 4.2675 4.2675 5.5102 5.5102 5.5729 5.5729 5.6819 5.6819 6.1498 6.1498 6.3575 6.3575 6.3896 6.3896 7.2966 7.2966 7.6703 7.6703 8.2634 8.2634 8.4353 8.4353 10.3725 10.3725 10.5294 10.5294 11.4901 11.4901 11.5265 11.5265 12.1161 12.1161 12.1681 12.1681 k = 0.0000 0.1194 0.3141 ( 2270 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3542 -29.3542 -29.2998 -29.2998 -28.5723 -28.5723 -28.5031 -28.5031 -28.3986 -28.3986 -28.2466 -28.2466 -8.5076 -8.5076 -8.2795 -8.2795 -7.5662 -7.5662 -7.4519 -7.4519 3.8930 3.8930 4.2212 4.2212 5.5486 5.5486 5.6134 5.6134 5.6701 5.6701 6.2057 6.2057 6.3450 6.3450 6.4520 6.4520 7.3176 7.3176 7.7011 7.7011 8.2167 8.2167 8.3872 8.3872 10.3529 10.3529 10.5120 10.5120 11.4508 11.4508 11.4899 11.4899 12.1356 12.1356 12.1860 12.1860 k = 0.0000 0.1285 0.3141 ( 2271 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3544 -29.3544 -29.2999 -29.2999 -28.5723 -28.5723 -28.5034 -28.5034 -28.3982 -28.3982 -28.2465 -28.2465 -8.5126 -8.5126 -8.2711 -8.2711 -7.5710 -7.5710 -7.4489 -7.4489 3.8434 3.8434 4.1762 4.1762 5.5878 5.5878 5.6536 5.6536 5.6583 5.6583 6.2640 6.2640 6.3321 6.3321 6.5155 6.5155 7.3398 7.3398 7.7324 7.7324 8.1679 8.1679 8.3370 8.3370 10.3318 10.3318 10.4933 10.4933 11.4108 11.4108 11.4523 11.4523 12.1553 12.1553 12.2044 12.2044 k = 0.0000 0.1377 0.3141 ( 2267 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3545 -29.3545 -29.3000 -29.3000 -28.5723 -28.5723 -28.5036 -28.5036 -28.3979 -28.3979 -28.2464 -28.2464 -8.5176 -8.5176 -8.2627 -8.2627 -7.5758 -7.5758 -7.4460 -7.4460 3.7950 3.7950 4.1326 4.1326 5.6272 5.6272 5.6468 5.6468 5.6940 5.6940 6.3191 6.3191 6.3240 6.3240 6.5794 6.5794 7.3630 7.3630 7.7641 7.7641 8.1175 8.1175 8.2851 8.2851 10.3095 10.3095 10.4734 10.4734 11.3701 11.3701 11.4139 11.4139 12.1749 12.1749 12.2230 12.2230 k = 0.0000 0.1469 0.3141 ( 2264 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3546 -29.3546 -29.3001 -29.3001 -28.5723 -28.5723 -28.5039 -28.5039 -28.3975 -28.3975 -28.2463 -28.2463 -8.5225 -8.5225 -8.2542 -8.2542 -7.5805 -7.5805 -7.4432 -7.4432 3.7482 3.7482 4.0906 4.0906 5.6333 5.6333 5.6699 5.6699 5.7346 5.7346 6.3063 6.3063 6.3849 6.3849 6.6433 6.6433 7.3871 7.3871 7.7960 7.7960 8.0657 8.0657 8.2318 8.2318 10.2859 10.2859 10.4524 10.4524 11.3293 11.3293 11.3749 11.3749 12.1943 12.1943 12.2418 12.2418 k = 0.0000 0.1561 0.3141 ( 2263 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3548 -29.3548 -29.3002 -29.3002 -28.5724 -28.5724 -28.5042 -28.5042 -28.3971 -28.3971 -28.2462 -28.2462 -8.5273 -8.5273 -8.2458 -8.2458 -7.5852 -7.5852 -7.4406 -7.4406 3.7029 3.7029 4.0502 4.0502 5.6217 5.6217 5.7119 5.7119 5.7757 5.7757 6.2935 6.2935 6.4459 6.4459 6.7066 6.7066 7.4118 7.4118 7.8279 7.8279 8.0131 8.0131 8.1773 8.1773 10.2611 10.2611 10.4303 10.4303 11.2885 11.2885 11.3357 11.3357 12.2131 12.2131 12.2605 12.2605 k = 0.0000 0.1653 0.3141 ( 2265 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3549 -29.3549 -29.3002 -29.3002 -28.5724 -28.5724 -28.5045 -28.5045 -28.3968 -28.3968 -28.2461 -28.2461 -8.5319 -8.5319 -8.2374 -8.2374 -7.5898 -7.5898 -7.4381 -7.4381 3.6593 3.6593 4.0116 4.0116 5.6100 5.6100 5.7551 5.7551 5.8175 5.8175 6.2811 6.2811 6.5063 6.5063 6.7688 6.7688 7.4369 7.4369 7.8594 7.8594 7.9602 7.9602 8.1222 8.1222 10.2354 10.2354 10.4073 10.4073 11.2480 11.2480 11.2966 11.2966 12.2313 12.2313 12.2789 12.2789 k = 0.0000 0.1745 0.3141 ( 2261 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3551 -29.3551 -29.3003 -29.3003 -28.5724 -28.5724 -28.5048 -28.5048 -28.3964 -28.3964 -28.2460 -28.2460 -8.5364 -8.5364 -8.2291 -8.2291 -7.5943 -7.5943 -7.4358 -7.4358 3.6176 3.6176 3.9750 3.9750 5.5986 5.5986 5.7996 5.7996 5.8602 5.8602 6.2690 6.2690 6.5652 6.5652 6.8293 6.8293 7.4623 7.4623 7.8882 7.8882 7.9096 7.9096 8.0669 8.0669 10.2088 10.2088 10.3835 10.3835 11.2081 11.2081 11.2577 11.2577 12.2488 12.2488 12.2970 12.2970 k = 0.0000 0.1836 0.3141 ( 2263 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3552 -29.3552 -29.3004 -29.3004 -28.5724 -28.5724 -28.5050 -28.5050 -28.3960 -28.3960 -28.2459 -28.2459 -8.5407 -8.5407 -8.2209 -8.2209 -7.5986 -7.5986 -7.4337 -7.4337 3.5779 3.5779 3.9403 3.9403 5.5874 5.5874 5.8453 5.8453 5.9037 5.9037 6.2573 6.2573 6.6217 6.6217 6.8876 6.8876 7.4878 7.4878 7.8534 7.8534 7.9225 7.9225 8.0118 8.0118 10.1815 10.1815 10.3590 10.3590 11.1692 11.1692 11.2193 11.2193 12.2654 12.2654 12.3147 12.3147 k = 0.0000 0.1928 0.3141 ( 2262 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3553 -29.3553 -29.3005 -29.3005 -28.5725 -28.5725 -28.5053 -28.5053 -28.3957 -28.3957 -28.2459 -28.2459 -8.5449 -8.5449 -8.2128 -8.2128 -7.6029 -7.6029 -7.4317 -7.4317 3.5401 3.5401 3.9077 3.9077 5.5767 5.5767 5.8920 5.8920 5.9482 5.9482 6.2462 6.2462 6.6748 6.6748 6.9431 6.9431 7.5130 7.5130 7.8029 7.8029 7.9484 7.9484 7.9609 7.9609 10.1538 10.1538 10.3340 10.3340 11.1314 11.1314 11.1816 11.1816 12.2810 12.2810 12.3317 12.3317 k = 0.0000 0.2020 0.3141 ( 2262 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3555 -29.3555 -29.3005 -29.3005 -28.5725 -28.5725 -28.5056 -28.5056 -28.3953 -28.3953 -28.2458 -28.2458 -8.5490 -8.5490 -8.2049 -8.2049 -7.6070 -7.6070 -7.4298 -7.4298 3.5044 3.5044 3.8773 3.8773 5.5664 5.5664 5.9399 5.9399 5.9937 5.9937 6.2356 6.2356 6.7233 6.7233 6.9948 6.9948 7.5379 7.5379 7.7544 7.7544 7.9036 7.9036 7.9815 7.9815 10.1259 10.1259 10.3087 10.3087 11.0950 11.0950 11.1450 11.1450 12.2956 12.2956 12.3480 12.3480 k = 0.0000 0.2112 0.3141 ( 2266 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3556 -29.3556 -29.3006 -29.3006 -28.5725 -28.5725 -28.5058 -28.5058 -28.3950 -28.3950 -28.2457 -28.2457 -8.5529 -8.5529 -8.1972 -8.1972 -7.6109 -7.6109 -7.4282 -7.4282 3.4709 3.4709 3.8490 3.8490 5.5567 5.5567 5.9888 5.9888 6.0402 6.0402 6.2257 6.2257 6.7658 6.7658 7.0420 7.0420 7.5621 7.5621 7.7091 7.7091 7.8532 7.8532 8.0088 8.0088 10.0981 10.0981 10.2834 10.2834 11.0603 11.0603 11.1096 11.1096 12.3091 12.3091 12.3635 12.3635 k = 0.0000 0.2204 0.3141 ( 2264 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3557 -29.3557 -29.3006 -29.3006 -28.5725 -28.5725 -28.5061 -28.5061 -28.3946 -28.3946 -28.2456 -28.2456 -8.5566 -8.5566 -8.1898 -8.1898 -7.6147 -7.6147 -7.4267 -7.4267 3.4396 3.4396 3.8231 3.8231 5.5475 5.5475 6.0386 6.0386 6.0876 6.0876 6.2165 6.2165 6.8007 6.8007 7.0837 7.0837 7.5852 7.5852 7.6683 7.6683 7.8063 7.8063 8.0348 8.0348 10.0706 10.0706 10.2582 10.2582 11.0276 11.0276 11.0756 11.0756 12.3214 12.3214 12.3782 12.3782 k = 0.0000 0.2295 0.3141 ( 2262 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3558 -29.3558 -29.3007 -29.3007 -28.5725 -28.5725 -28.5063 -28.5063 -28.3943 -28.3943 -28.2455 -28.2455 -8.5602 -8.5602 -8.1826 -8.1826 -7.6182 -7.6182 -7.4254 -7.4254 3.4107 3.4107 3.7994 3.7994 5.5389 5.5389 6.0892 6.0892 6.1359 6.1359 6.2081 6.2081 6.8262 6.8262 7.1187 7.1187 7.6057 7.6057 7.6345 7.6345 7.7644 7.7644 8.0592 8.0592 10.0439 10.0439 10.2334 10.2334 10.9970 10.9970 11.0433 11.0433 12.3326 12.3326 12.3918 12.3918 k = 0.0000 0.2387 0.3141 ( 2261 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3560 -29.3560 -29.3008 -29.3008 -28.5726 -28.5726 -28.5065 -28.5065 -28.3940 -28.3940 -28.2455 -28.2455 -8.5636 -8.5636 -8.1757 -8.1757 -7.6215 -7.6215 -7.4242 -7.4242 3.3840 3.3840 3.7781 3.7781 5.5309 5.5309 6.1405 6.1405 6.1843 6.1843 6.2013 6.2013 6.8409 6.8409 7.1455 7.1455 7.5991 7.5991 7.6325 7.6325 7.7294 7.7294 8.0817 8.0817 10.0184 10.0184 10.2093 10.2093 10.9689 10.9689 11.0129 11.0129 12.3425 12.3425 12.4045 12.4045 k = 0.0000 0.2479 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3561 -29.3561 -29.3008 -29.3008 -28.5726 -28.5726 -28.5067 -28.5067 -28.3938 -28.3938 -28.2454 -28.2454 -8.5668 -8.5668 -8.1692 -8.1692 -7.6246 -7.6246 -7.4233 -7.4233 3.3597 3.3597 3.7592 3.7592 5.5236 5.5236 6.1919 6.1919 6.1929 6.1929 6.2359 6.2359 6.8436 6.8436 7.1629 7.1629 7.5778 7.5778 7.6502 7.6502 7.7031 7.7031 8.1021 8.1021 9.9942 9.9942 10.1862 10.1862 10.9435 10.9435 10.9846 10.9846 12.3513 12.3513 12.4161 12.4161 k = 0.0000 0.2571 0.3141 ( 2254 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3562 -29.3562 -29.3008 -29.3008 -28.5726 -28.5726 -28.5069 -28.5069 -28.3935 -28.3935 -28.2454 -28.2454 -8.5699 -8.5699 -8.1630 -8.1630 -7.6274 -7.6274 -7.4225 -7.4225 3.3378 3.3378 3.7427 3.7427 5.5170 5.5170 6.1870 6.1870 6.2435 6.2435 6.2866 6.2866 6.8344 6.8344 7.1694 7.1694 7.5630 7.5630 7.6638 7.6638 7.6889 7.6889 8.1202 8.1202 9.9720 9.9720 10.1644 10.1644 10.9211 10.9211 10.9586 10.9586 12.3588 12.3588 12.4266 12.4266 k = 0.0000 0.2663 0.3141 ( 2256 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3562 -29.3562 -29.3009 -29.3009 -28.5726 -28.5726 -28.5071 -28.5071 -28.3933 -28.3933 -28.2453 -28.2453 -8.5728 -8.5728 -8.1573 -8.1573 -7.6299 -7.6299 -7.4219 -7.4219 3.3184 3.3184 3.7287 3.7287 5.5112 5.5112 6.1818 6.1818 6.2943 6.2943 6.3381 6.3381 6.8138 6.8138 7.1648 7.1648 7.5559 7.5559 7.6643 7.6643 7.6940 7.6940 8.1358 8.1358 9.9521 9.9521 10.1442 10.1442 10.9017 10.9017 10.9351 10.9351 12.3651 12.3651 12.4359 12.4359 k = 0.0000 0.2755 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3563 -29.3563 -29.3009 -29.3009 -28.5726 -28.5726 -28.5072 -28.5072 -28.3931 -28.3931 -28.2453 -28.2453 -8.5755 -8.5755 -8.1519 -8.1519 -7.6321 -7.6321 -7.4215 -7.4215 3.3015 3.3015 3.7172 3.7172 5.5060 5.5060 6.1775 6.1775 6.3437 6.3437 6.3905 6.3905 6.7836 6.7836 7.1503 7.1503 7.5559 7.5559 7.6608 7.6608 7.7069 7.7069 8.1488 8.1488 9.9349 9.9349 10.1260 10.1260 10.8856 10.8856 10.9142 10.9142 12.3701 12.3701 12.4442 12.4442 k = 0.0000 0.2846 0.3141 ( 2255 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3564 -29.3564 -29.3009 -29.3009 -28.5726 -28.5726 -28.5074 -28.5074 -28.3929 -28.3929 -28.2453 -28.2453 -8.5781 -8.5781 -8.1470 -8.1470 -7.6339 -7.6339 -7.4213 -7.4213 3.2870 3.2870 3.7083 3.7083 5.5017 5.5017 6.1741 6.1741 6.3907 6.3907 6.4436 6.4436 6.7456 6.7456 7.1285 7.1285 7.5614 7.5614 7.6588 7.6588 7.7195 7.7195 8.1590 8.1590 9.9207 9.9207 10.1100 10.1100 10.8729 10.8729 10.8962 10.8962 12.3740 12.3740 12.4513 12.4513 k = 0.0000 0.2938 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5075 -28.5075 -28.3928 -28.3928 -28.2452 -28.2452 -8.5804 -8.5804 -8.1426 -8.1426 -7.6354 -7.6354 -7.4212 -7.4212 3.2751 3.2751 3.7018 3.7018 5.4981 5.4981 6.1715 6.1715 6.4339 6.4339 6.4972 6.4972 6.7015 6.7015 7.1029 7.1029 7.5703 7.5703 7.6574 7.6574 7.7305 7.7305 8.1664 8.1664 9.9099 9.9099 10.0967 10.0967 10.8638 10.8638 10.8812 10.8812 12.3765 12.3765 12.4572 12.4572 k = 0.0000 0.3030 0.3141 ( 2257 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5076 -28.5076 -28.3927 -28.3927 -28.2452 -28.2452 -8.5826 -8.5826 -8.1387 -8.1387 -7.6365 -7.6365 -7.4213 -7.4213 3.2658 3.2658 3.6979 3.6979 5.4953 5.4953 6.1699 6.1699 6.4718 6.4718 6.5509 6.5509 6.6532 6.6532 7.0772 7.0772 7.5803 7.5803 7.6551 7.6551 7.7394 7.7394 8.1707 8.1707 9.9027 9.9027 10.0861 10.0861 10.8583 10.8583 10.8693 10.8693 12.3779 12.3779 12.4620 12.4620 k = 0.0000 0.3122 0.3141 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5076 -28.5076 -28.3926 -28.3926 -28.2452 -28.2452 -8.5846 -8.5846 -8.1354 -8.1354 -7.6373 -7.6373 -7.4217 -7.4217 3.2590 3.2590 3.6965 3.6965 5.4933 5.4933 6.1692 6.1692 6.5020 6.5020 6.5952 6.5952 6.6108 6.6108 7.0549 7.0549 7.5900 7.5900 7.6510 7.6510 7.7461 7.7461 8.1719 8.1719 9.8993 9.8993 10.0786 10.0786 10.8560 10.8560 10.8611 10.8611 12.3780 12.3780 12.4656 12.4656 k = 0.0000 0.3122 0.3141 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5076 -28.5076 -28.3926 -28.3926 -28.2452 -28.2452 -8.5846 -8.5846 -8.1354 -8.1354 -7.6373 -7.6373 -7.4217 -7.4217 3.2590 3.2590 3.6965 3.6965 5.4933 5.4933 6.1692 6.1692 6.5020 6.5020 6.5952 6.5952 6.6108 6.6108 7.0549 7.0549 7.5900 7.5900 7.6510 7.6510 7.7461 7.7461 8.1719 8.1719 9.8993 9.8993 10.0786 10.0786 10.8560 10.8560 10.8611 10.8611 12.3780 12.3780 12.4656 12.4656 k = 0.0000 0.3169 0.3091 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3566 -29.3566 -29.3009 -29.3009 -28.5726 -28.5726 -28.5077 -28.5077 -28.3925 -28.3925 -28.2452 -28.2452 -8.5862 -8.5862 -8.1329 -8.1329 -7.6376 -7.6376 -7.4219 -7.4219 3.2545 3.2545 3.6963 3.6963 5.4920 5.4920 6.1690 6.1690 6.5241 6.5241 6.5943 6.5943 6.6121 6.6121 7.0391 7.0391 7.5965 7.5965 7.6467 7.6467 7.7506 7.7506 8.1718 8.1718 9.8980 9.8980 10.0737 10.0737 10.8530 10.8530 10.8582 10.8582 12.3778 12.3778 12.4681 12.4681 k = 0.0000 0.3217 0.3040 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3566 -29.3566 -29.3009 -29.3009 -28.5726 -28.5726 -28.5077 -28.5077 -28.3925 -28.3925 -28.2452 -28.2452 -8.5867 -8.5867 -8.1321 -8.1321 -7.6378 -7.6378 -7.4220 -7.4220 3.2530 3.2530 3.6963 3.6963 5.4915 5.4915 6.1690 6.1690 6.5322 6.5322 6.5935 6.5935 6.6126 6.6126 7.0335 7.0335 7.5984 7.5984 7.6455 7.6455 7.7521 7.7521 8.1718 8.1718 9.8975 9.8975 10.0721 10.0721 10.8513 10.8513 10.8579 10.8579 12.3777 12.3777 12.4690 12.4690 k = 0.0000 0.3217 0.3040 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3566 -29.3566 -29.3009 -29.3009 -28.5726 -28.5726 -28.5077 -28.5077 -28.3925 -28.3925 -28.2452 -28.2452 -8.5867 -8.5867 -8.1321 -8.1321 -7.6378 -7.6378 -7.4220 -7.4220 3.2530 3.2530 3.6963 3.6963 5.4915 5.4915 6.1690 6.1690 6.5322 6.5322 6.5935 6.5935 6.6126 6.6126 7.0335 7.0335 7.5984 7.5984 7.6455 7.6455 7.7521 7.7521 8.1718 8.1718 9.8975 9.8975 10.0721 10.0721 10.8513 10.8513 10.8579 10.8579 12.3777 12.3777 12.4690 12.4690 k = 0.0091 0.3217 0.3040 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3566 -29.3566 -29.3009 -29.3009 -28.5726 -28.5726 -28.5077 -28.5077 -28.3926 -28.3926 -28.2453 -28.2453 -8.5862 -8.5862 -8.1317 -8.1317 -7.6379 -7.6379 -7.4220 -7.4220 3.2538 3.2538 3.6970 3.6970 5.4875 5.4875 6.1557 6.1557 6.5456 6.5456 6.5940 6.5940 6.6173 6.6173 7.0339 7.0339 7.5973 7.5973 7.6442 7.6442 7.7486 7.7486 8.1682 8.1682 9.9000 9.9000 10.0744 10.0744 10.8517 10.8517 10.8585 10.8585 12.3772 12.3772 12.4684 12.4684 k = 0.0182 0.3217 0.3040 ( 2258 PWs) bands (ev): -54.9902 -54.9902 -54.9013 -54.9013 -29.3567 -29.3567 -29.3010 -29.3010 -28.5728 -28.5728 -28.5079 -28.5079 -28.3928 -28.3928 -28.2454 -28.2454 -8.5846 -8.5846 -8.1303 -8.1303 -7.6381 -7.6381 -7.4220 -7.4220 3.2561 3.2561 3.6989 3.6989 5.4755 5.4755 6.1205 6.1205 6.5811 6.5811 6.5956 6.5956 6.6311 6.6311 7.0353 7.0353 7.5938 7.5938 7.6406 7.6406 7.7382 7.7382 8.1573 8.1573 9.9075 9.9075 10.0811 10.0811 10.8528 10.8528 10.8602 10.8602 12.3757 12.3757 12.4666 12.4666 k = 0.0273 0.3217 0.3040 ( 2254 PWs) bands (ev): -54.9901 -54.9901 -54.9012 -54.9012 -29.3569 -29.3569 -29.3011 -29.3011 -28.5731 -28.5731 -28.5083 -28.5083 -28.3931 -28.3931 -28.2457 -28.2457 -8.5820 -8.5820 -8.1280 -8.1280 -7.6386 -7.6386 -7.4220 -7.4220 3.2600 3.2600 3.7022 3.7022 5.4563 5.4563 6.0718 6.0718 6.5980 6.5980 6.6303 6.6303 6.6540 6.6540 7.0375 7.0375 7.5879 7.5879 7.6344 7.6344 7.7210 7.7210 8.1394 8.1394 9.9197 9.9197 10.0921 10.0921 10.8546 10.8546 10.8630 10.8630 12.3733 12.3733 12.4637 12.4637 k = 0.0364 0.3217 0.3040 ( 2252 PWs) bands (ev): -54.9900 -54.9900 -54.9011 -54.9011 -29.3571 -29.3571 -29.3013 -29.3013 -28.5735 -28.5735 -28.5087 -28.5087 -28.3936 -28.3936 -28.2461 -28.2461 -8.5783 -8.5783 -8.1248 -8.1248 -7.6393 -7.6393 -7.4219 -7.4219 3.2654 3.2654 3.7068 3.7068 5.4306 5.4306 6.0156 6.0156 6.6016 6.6016 6.6793 6.6793 6.6921 6.6921 7.0406 7.0406 7.5798 7.5798 7.6258 7.6258 7.6976 7.6976 8.1149 8.1149 9.9364 9.9364 10.1073 10.1073 10.8571 10.8571 10.8669 10.8669 12.3699 12.3699 12.4595 12.4595 k = 0.0455 0.3217 0.3040 ( 2258 PWs) bands (ev): -54.9898 -54.9898 -54.9009 -54.9009 -29.3574 -29.3574 -29.3015 -29.3015 -28.5740 -28.5740 -28.5093 -28.5093 -28.3942 -28.3942 -28.2466 -28.2466 -8.5736 -8.5736 -8.1208 -8.1208 -7.6401 -7.6401 -7.4219 -7.4219 3.2723 3.2723 3.7127 3.7127 5.3995 5.3995 5.9556 5.9556 6.6063 6.6063 6.7177 6.7177 6.7517 6.7517 7.0445 7.0445 7.5692 7.5692 7.6143 7.6143 7.6684 7.6684 8.0840 8.0840 9.9573 9.9573 10.1263 10.1263 10.8603 10.8603 10.8720 10.8720 12.3655 12.3655 12.4543 12.4543 k = 0.0545 0.3217 0.3040 ( 2262 PWs) bands (ev): -54.9896 -54.9896 -54.9007 -54.9007 -29.3578 -29.3578 -29.3017 -29.3017 -28.5747 -28.5747 -28.5100 -28.5100 -28.3950 -28.3950 -28.2472 -28.2472 -8.5679 -8.5679 -8.1158 -8.1158 -7.6411 -7.6411 -7.4218 -7.4218 3.2808 3.2808 3.7198 3.7198 5.3640 5.3640 5.8934 5.8934 6.6119 6.6119 6.7597 6.7597 6.8157 6.8157 7.0492 7.0492 7.5562 7.5562 7.5993 7.5993 7.6351 7.6351 8.0473 8.0473 9.9820 9.9820 10.1487 10.1487 10.8642 10.8642 10.8782 10.8782 12.3601 12.3601 12.4478 12.4478 k = 0.0636 0.3217 0.3040 ( 2266 PWs) bands (ev): -54.9893 -54.9893 -54.9005 -54.9005 -29.3582 -29.3582 -29.3020 -29.3020 -28.5754 -28.5754 -28.5108 -28.5108 -28.3958 -28.3958 -28.2479 -28.2479 -8.5611 -8.5611 -8.1100 -8.1100 -7.6423 -7.6423 -7.4218 -7.4218 3.2907 3.2907 3.7282 3.7282 5.3250 5.3250 5.8302 5.8302 6.6185 6.6185 6.8061 6.8061 6.8812 6.8812 7.0548 7.0548 7.5403 7.5403 7.5769 7.5769 7.6023 7.6023 8.0052 8.0052 10.0102 10.0102 10.1744 10.1744 10.8687 10.8687 10.8855 10.8855 12.3537 12.3537 12.4403 12.4403 k = 0.0727 0.3217 0.3040 ( 2266 PWs) bands (ev): -54.9891 -54.9891 -54.9002 -54.9002 -29.3587 -29.3587 -29.3023 -29.3023 -28.5763 -28.5763 -28.5118 -28.5118 -28.3967 -28.3967 -28.2487 -28.2487 -8.5534 -8.5534 -8.1034 -8.1034 -7.6437 -7.6437 -7.4217 -7.4217 3.3020 3.3020 3.7377 3.7377 5.2833 5.2833 5.7665 5.7665 6.6261 6.6261 6.8562 6.8562 6.9475 6.9475 7.0610 7.0610 7.5191 7.5191 7.5427 7.5427 7.5776 7.5776 7.9583 7.9583 10.0414 10.0414 10.2028 10.2028 10.8740 10.8740 10.8938 10.8938 12.3464 12.3464 12.4316 12.4316 k = 0.0818 0.3217 0.3040 ( 2266 PWs) bands (ev): -54.9887 -54.9887 -54.8999 -54.8999 -29.3593 -29.3593 -29.3027 -29.3027 -28.5774 -28.5774 -28.5129 -28.5129 -28.3977 -28.3977 -28.2495 -28.2495 -8.5448 -8.5448 -8.0959 -8.0959 -7.6452 -7.6452 -7.4216 -7.4216 3.3147 3.3147 3.7484 3.7484 5.2398 5.2398 5.7029 5.7029 6.6347 6.6347 6.9091 6.9091 7.0141 7.0141 7.0680 7.0680 7.4822 7.4822 7.5127 7.5127 7.5560 7.5560 7.9070 7.9070 10.0753 10.0753 10.2337 10.2337 10.8800 10.8800 10.9031 10.9031 12.3382 12.3382 12.4218 12.4218 k = 0.0909 0.3217 0.3040 ( 2270 PWs) bands (ev): -54.9884 -54.9884 -54.8995 -54.8995 -29.3599 -29.3599 -29.3031 -29.3031 -28.5785 -28.5785 -28.5141 -28.5141 -28.3988 -28.3988 -28.2504 -28.2504 -8.5352 -8.5352 -8.0876 -8.0876 -7.6469 -7.6469 -7.4215 -7.4215 3.3288 3.3288 3.7601 3.7601 5.1949 5.1949 5.6395 5.6395 6.6442 6.6442 6.9642 6.9642 7.0730 7.0730 7.0831 7.0831 7.4319 7.4319 7.4892 7.4892 7.5338 7.5338 7.8519 7.8519 10.1116 10.1116 10.2667 10.2667 10.8867 10.8867 10.9133 10.9133 12.3291 12.3291 12.4109 12.4109 k = 0.1000 0.3217 0.3040 ( 2266 PWs) bands (ev): -54.9880 -54.9880 -54.8992 -54.8992 -29.3606 -29.3606 -29.3036 -29.3036 -28.5798 -28.5798 -28.5155 -28.5155 -28.4000 -28.4000 -28.2514 -28.2514 -8.5247 -8.5247 -8.0785 -8.0785 -7.6488 -7.6488 -7.4214 -7.4214 3.3441 3.3441 3.7729 3.7729 5.1492 5.1492 5.5766 5.5766 6.6546 6.6546 7.0210 7.0210 7.0822 7.0822 7.1478 7.1478 7.3767 7.3767 7.4656 7.4656 7.5101 7.5101 7.7935 7.7935 10.1498 10.1498 10.3016 10.3016 10.8941 10.8941 10.9244 10.9244 12.3190 12.3190 12.3990 12.3990 k = 0.1091 0.3217 0.3040 ( 2268 PWs) bands (ev): -54.9875 -54.9875 -54.8987 -54.8987 -29.3614 -29.3614 -29.3041 -29.3041 -28.5813 -28.5813 -28.5170 -28.5170 -28.4012 -28.4012 -28.2524 -28.2524 -8.5133 -8.5133 -8.0687 -8.0687 -7.6508 -7.6508 -7.4213 -7.4213 3.3608 3.3608 3.7867 3.7867 5.1030 5.1030 5.5144 5.5144 6.6660 6.6660 7.0784 7.0784 7.0895 7.0895 7.2135 7.2135 7.3194 7.3194 7.4407 7.4407 7.4847 7.4847 7.7321 7.7321 10.1898 10.1898 10.3381 10.3381 10.9023 10.9023 10.9364 10.9364 12.3080 12.3080 12.3861 12.3861 k = 0.1182 0.3217 0.3040 ( 2266 PWs) bands (ev): -54.9870 -54.9870 -54.8983 -54.8983 -29.3622 -29.3622 -29.3047 -29.3047 -28.5829 -28.5829 -28.5186 -28.5186 -28.4024 -28.4024 -28.2534 -28.2534 -8.5010 -8.5010 -8.0581 -8.0581 -7.6530 -7.6530 -7.4211 -7.4211 3.3786 3.3786 3.8014 3.8014 5.0569 5.0569 5.4530 5.4530 6.6781 6.6781 7.0932 7.0932 7.1374 7.1374 7.2615 7.2615 7.2793 7.2793 7.4147 7.4147 7.4580 7.4580 7.6683 7.6683 10.2313 10.2313 10.3759 10.3759 10.9111 10.9111 10.9492 10.9492 12.2962 12.2962 12.3722 12.3722 k = 0.1273 0.3217 0.3040 ( 2270 PWs) bands (ev): -54.9866 -54.9866 -54.8978 -54.8978 -29.3631 -29.3631 -29.3053 -29.3053 -28.5846 -28.5846 -28.5203 -28.5203 -28.4037 -28.4037 -28.2545 -28.2545 -8.4880 -8.4880 -8.0468 -8.0468 -7.6554 -7.6554 -7.4210 -7.4210 3.3975 3.3975 3.8169 3.8169 5.0109 5.0109 5.3925 5.3925 6.6912 6.6912 7.0896 7.0896 7.1937 7.1937 7.2132 7.2132 7.3405 7.3405 7.3890 7.3890 7.4310 7.4310 7.6025 7.6025 10.2741 10.2741 10.4149 10.4149 10.9205 10.9205 10.9626 10.9626 12.2835 12.2835 12.3572 12.3572 k = 0.1364 0.3217 0.3040 ( 2272 PWs) bands (ev): -54.9860 -54.9860 -54.8973 -54.8973 -29.3641 -29.3641 -29.3060 -29.3060 -28.5866 -28.5866 -28.5222 -28.5222 -28.4050 -28.4050 -28.2556 -28.2556 -8.4742 -8.4742 -8.0349 -8.0349 -7.6579 -7.6579 -7.4209 -7.4209 3.4174 3.4174 3.8333 3.8333 4.9654 4.9654 5.3330 5.3330 6.7050 6.7050 7.0646 7.0646 7.1804 7.1804 7.2505 7.2505 7.3601 7.3601 7.3853 7.3853 7.4240 7.4240 7.5351 7.5351 10.3180 10.3180 10.4548 10.4548 10.9307 10.9307 10.9767 10.9767 12.2699 12.2699 12.3414 12.3414 k = 0.1455 0.3217 0.3040 ( 2272 PWs) bands (ev): -54.9855 -54.9855 -54.8968 -54.8968 -29.3652 -29.3652 -29.3066 -29.3066 -28.5886 -28.5886 -28.5241 -28.5241 -28.4062 -28.4062 -28.2567 -28.2567 -8.4596 -8.4596 -8.0223 -8.0223 -7.6605 -7.6605 -7.4207 -7.4207 3.4384 3.4384 3.8502 3.8502 4.9206 4.9206 5.2745 5.2745 6.7195 6.7195 7.0145 7.0145 7.1745 7.1745 7.2840 7.2840 7.3531 7.3531 7.3641 7.3641 7.4641 7.4641 7.4802 7.4802 10.3628 10.3628 10.4956 10.4956 10.9414 10.9414 10.9914 10.9914 12.2555 12.2555 12.3247 12.3247 k = 0.1545 0.3217 0.3040 ( 2272 PWs) bands (ev): -54.9849 -54.9849 -54.8963 -54.8963 -29.3663 -29.3663 -29.3074 -29.3074 -28.5908 -28.5908 -28.5262 -28.5262 -28.4075 -28.4075 -28.2578 -28.2578 -8.4444 -8.4444 -8.0092 -8.0092 -7.6633 -7.6633 -7.4206 -7.4206 3.4603 3.4603 3.8678 3.8678 4.8766 4.8766 5.2172 5.2172 6.7346 6.7346 6.9521 6.9521 7.1802 7.1802 7.2710 7.2710 7.3272 7.3272 7.3919 7.3919 7.4018 7.4018 7.5394 7.5394 10.4084 10.4084 10.5371 10.5371 10.9528 10.9528 11.0066 11.0066 12.2404 12.2404 12.3071 12.3071 k = 0.1636 0.3217 0.3040 ( 2278 PWs) bands (ev): -54.9843 -54.9843 -54.8957 -54.8957 -29.3675 -29.3675 -29.3082 -29.3082 -28.5932 -28.5932 -28.5284 -28.5284 -28.4087 -28.4087 -28.2589 -28.2589 -8.4285 -8.4285 -7.9954 -7.9954 -7.6662 -7.6662 -7.4204 -7.4204 3.4829 3.4829 3.8859 3.8859 4.8335 4.8335 5.1611 5.1611 6.7503 6.7503 6.8850 6.8850 7.1903 7.1903 7.2405 7.2405 7.2916 7.2916 7.3275 7.3275 7.4527 7.4527 7.6004 7.6004 10.4547 10.4547 10.5791 10.5791 10.9647 10.9647 11.0221 11.0221 12.2245 12.2245 12.2888 12.2888 k = 0.1727 0.3217 0.3040 ( 2278 PWs) bands (ev): -54.9837 -54.9837 -54.8951 -54.8951 -29.3687 -29.3687 -29.3090 -29.3090 -28.5957 -28.5957 -28.5308 -28.5308 -28.4098 -28.4098 -28.2599 -28.2599 -8.4120 -8.4120 -7.9812 -7.9812 -7.6692 -7.6692 -7.4203 -7.4203 3.5063 3.5063 3.9044 3.9044 4.7916 4.7916 5.1063 5.1063 6.7656 6.7656 6.8164 6.8164 7.1998 7.1998 7.2064 7.2064 7.2483 7.2483 7.2667 7.2667 7.5106 7.5106 7.6606 7.6606 10.5015 10.5015 10.6217 10.6217 10.9771 10.9771 11.0381 11.0381 12.2078 12.2078 12.2697 12.2697 k = 0.1818 0.3217 0.3040 ( 2288 PWs) bands (ev): -54.9831 -54.9831 -54.8946 -54.8946 -29.3700 -29.3700 -29.3099 -29.3099 -28.5983 -28.5983 -28.5332 -28.5332 -28.4109 -28.4109 -28.2609 -28.2609 -8.3950 -8.3950 -7.9665 -7.9665 -7.6723 -7.6723 -7.4201 -7.4201 3.5304 3.5304 3.9232 3.9232 4.7509 4.7509 5.0528 5.0528 6.7426 6.7426 6.7855 6.7855 7.1628 7.1628 7.1818 7.1818 7.2181 7.2181 7.2276 7.2276 7.5689 7.5689 7.7198 7.7198 10.5488 10.5488 10.6647 10.6647 10.9900 10.9900 11.0543 11.0543 12.1904 12.1904 12.2499 12.2499 k = 0.1909 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9824 -54.9824 -54.8939 -54.8939 -29.3714 -29.3714 -29.3108 -29.3108 -28.6011 -28.6011 -28.5357 -28.5357 -28.4119 -28.4119 -28.2619 -28.2619 -8.3774 -8.3774 -7.9513 -7.9513 -7.6755 -7.6755 -7.4199 -7.4199 3.5550 3.5550 3.9421 3.9421 4.7115 4.7115 5.0007 5.0007 6.6731 6.6731 6.8008 6.8008 7.1038 7.1038 7.1354 7.1354 7.1836 7.1836 7.2358 7.2358 7.6270 7.6270 7.7779 7.7779 10.5964 10.5964 10.7081 10.7081 11.0033 11.0033 11.0706 11.0706 12.1724 12.1724 12.2295 12.2295 k = 0.2000 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9817 -54.9817 -54.8933 -54.8933 -29.3729 -29.3729 -29.3118 -29.3118 -28.6040 -28.6040 -28.5383 -28.5383 -28.4129 -28.4129 -28.2629 -28.2629 -8.3595 -8.3595 -7.9358 -7.9358 -7.6788 -7.6788 -7.4198 -7.4198 3.5800 3.5800 3.9612 3.9612 4.6734 4.6734 4.9500 4.9500 6.6026 6.6026 6.8160 6.8160 7.0375 7.0375 7.0943 7.0943 7.1443 7.1443 7.2511 7.2511 7.6845 7.6845 7.8347 7.8347 10.6443 10.6443 10.7519 10.7519 11.0170 11.0170 11.0871 11.0871 12.1538 12.1538 12.2085 12.2085 k = 0.2091 0.3217 0.3040 ( 2284 PWs) bands (ev): -54.9810 -54.9810 -54.8926 -54.8926 -29.3744 -29.3744 -29.3128 -29.3128 -28.6070 -28.6070 -28.5410 -28.5410 -28.4138 -28.4138 -28.2638 -28.2638 -8.3411 -8.3411 -7.9200 -7.9200 -7.6822 -7.6822 -7.4196 -7.4196 3.6054 3.6054 3.9802 3.9802 4.6368 4.6368 4.9007 4.9007 6.5325 6.5325 6.8275 6.8275 6.9746 6.9746 7.0532 7.0532 7.1043 7.1043 7.2675 7.2675 7.7412 7.7412 7.8901 7.8901 10.6923 10.6923 10.7959 10.7959 11.0309 11.0309 11.1037 11.1037 12.1345 12.1345 12.1870 12.1870 k = 0.2182 0.3217 0.3040 ( 2288 PWs) bands (ev): -54.9804 -54.9804 -54.8920 -54.8920 -29.3760 -29.3760 -29.3138 -29.3138 -28.6101 -28.6101 -28.5438 -28.5438 -28.4146 -28.4146 -28.2646 -28.2646 -8.3224 -8.3224 -7.9038 -7.9038 -7.6857 -7.6857 -7.4194 -7.4194 3.6310 3.6310 3.9989 3.9989 4.6017 4.6017 4.8529 4.8529 6.4632 6.4632 6.8244 6.8244 6.9269 6.9269 7.0115 7.0115 7.0637 7.0637 7.2845 7.2845 7.7970 7.7970 7.9442 7.9442 10.7404 10.7404 10.8402 10.8402 11.0451 11.0451 11.1201 11.1201 12.1148 12.1148 12.1650 12.1650 k = 0.2273 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9797 -54.9797 -54.8913 -54.8913 -29.3776 -29.3776 -29.3148 -29.3148 -28.6133 -28.6133 -28.5467 -28.5467 -28.4153 -28.4153 -28.2654 -28.2654 -8.3034 -8.3034 -7.8874 -7.8874 -7.6892 -7.6892 -7.4192 -7.4192 3.6567 3.6567 4.0174 4.0174 4.5680 4.5680 4.8067 4.8067 6.3949 6.3949 6.7878 6.7878 6.9136 6.9136 6.9693 6.9693 7.0227 7.0227 7.3020 7.3020 7.8516 7.8516 7.9968 7.9968 10.7883 10.7883 10.8847 10.8847 11.0594 11.0594 11.1365 11.1365 12.0945 12.0945 12.1427 12.1427 k = 0.2364 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9789 -54.9789 -54.8907 -54.8907 -29.3792 -29.3792 -29.3159 -29.3159 -28.6165 -28.6165 -28.5496 -28.5496 -28.4160 -28.4160 -28.2661 -28.2661 -8.2842 -8.2842 -7.8709 -7.8709 -7.6928 -7.6928 -7.4191 -7.4191 3.6825 3.6825 4.0355 4.0355 4.5360 4.5360 4.7619 4.7619 6.3280 6.3280 6.7299 6.7299 6.9199 6.9199 6.9298 6.9298 6.9815 6.9815 7.3199 7.3199 7.9051 7.9051 8.0479 8.0479 10.8361 10.8361 10.9295 10.9295 11.0739 11.0739 11.1527 11.1527 12.0737 12.0737 12.1201 12.1201 k = 0.2455 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9782 -54.9782 -54.8900 -54.8900 -29.3810 -29.3810 -29.3171 -29.3171 -28.6198 -28.6198 -28.5525 -28.5525 -28.4165 -28.4165 -28.2668 -28.2668 -8.2649 -8.2649 -7.8542 -7.8542 -7.6964 -7.6964 -7.4189 -7.4189 3.7081 3.7081 4.0529 4.0529 4.5055 4.5055 4.7188 4.7188 6.2626 6.2626 6.6665 6.6665 6.8822 6.8822 6.9389 6.9389 6.9419 6.9419 7.3381 7.3381 7.9572 7.9572 8.0975 8.0975 10.8834 10.8834 10.9744 10.9744 11.0885 11.0885 11.1687 11.1687 12.0526 12.0526 12.0972 12.0972 k = 0.2545 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9775 -54.9775 -54.8893 -54.8893 -29.3827 -29.3827 -29.3182 -29.3182 -28.6232 -28.6232 -28.5555 -28.5555 -28.4170 -28.4170 -28.2674 -28.2674 -8.2455 -8.2455 -7.8374 -7.8374 -7.7000 -7.7000 -7.4188 -7.4188 3.7336 3.7336 4.0697 4.0697 4.4766 4.4766 4.6772 4.6772 6.1991 6.1991 6.6022 6.6022 6.8386 6.8386 6.8988 6.8988 6.9596 6.9596 7.3566 7.3566 8.0081 8.0081 8.1455 8.1455 10.9303 10.9303 11.0194 11.0194 11.1031 11.1031 11.1844 11.1844 12.0311 12.0311 12.0743 12.0743 k = 0.2636 0.3217 0.3040 ( 2300 PWs) bands (ev): -54.9768 -54.9768 -54.8887 -54.8887 -29.3845 -29.3845 -29.3194 -29.3194 -28.6266 -28.6266 -28.5586 -28.5586 -28.4174 -28.4174 -28.2679 -28.2679 -8.2260 -8.2260 -7.8206 -7.8206 -7.7036 -7.7036 -7.4186 -7.4186 3.7587 3.7587 4.0856 4.0856 4.4492 4.4492 4.6372 4.6372 6.1376 6.1376 6.5386 6.5386 6.7946 6.7946 6.8576 6.8576 6.9798 6.9798 7.3752 7.3752 8.0575 8.0575 8.1919 8.1919 10.9764 10.9764 11.0643 11.0643 11.1178 11.1178 11.1999 11.1999 12.0094 12.0094 12.0513 12.0513 k = 0.2727 0.3217 0.3040 ( 2296 PWs) bands (ev): -54.9761 -54.9761 -54.8880 -54.8880 -29.3863 -29.3863 -29.3206 -29.3206 -28.6299 -28.6299 -28.5616 -28.5616 -28.4177 -28.4177 -28.2684 -28.2684 -8.2066 -8.2066 -7.8039 -7.8039 -7.7072 -7.7072 -7.4184 -7.4184 3.7834 3.7834 4.1005 4.1005 4.4235 4.4235 4.5988 4.5988 6.0784 6.0784 6.4762 6.4762 6.7505 6.7505 6.8168 6.8168 7.0006 7.0006 7.3939 7.3939 8.1054 8.1054 8.2367 8.2367 11.0215 11.0215 11.1084 11.1084 11.1332 11.1332 11.2152 11.2152 11.9874 11.9874 12.0283 12.0283 k = 0.2818 0.3217 0.3040 ( 2298 PWs) bands (ev): -54.9754 -54.9754 -54.8873 -54.8873 -29.3882 -29.3882 -29.3218 -29.3218 -28.6333 -28.6333 -28.5647 -28.5647 -28.4179 -28.4179 -28.2688 -28.2688 -8.1872 -8.1872 -7.7872 -7.7872 -7.7108 -7.7108 -7.4183 -7.4183 3.8075 3.8075 4.1143 4.1143 4.3994 4.3994 4.5621 4.5621 6.0217 6.0217 6.4154 6.4154 6.7065 6.7065 6.7763 6.7763 7.0218 7.0218 7.4126 7.4126 8.1518 8.1518 8.2798 8.2798 11.0654 11.0654 11.1429 11.1429 11.1581 11.1581 11.2307 11.2307 11.9653 11.9653 12.0054 12.0054 k = 0.2909 0.3217 0.3040 ( 2296 PWs) bands (ev): -54.9747 -54.9747 -54.8867 -54.8867 -29.3900 -29.3900 -29.3230 -29.3230 -28.6367 -28.6367 -28.5677 -28.5677 -28.4181 -28.4181 -28.2692 -28.2692 -8.1680 -8.1680 -7.7708 -7.7708 -7.7143 -7.7143 -7.4182 -7.4182 3.8310 3.8310 4.1269 4.1269 4.3769 4.3769 4.5270 4.5270 5.9676 5.9676 6.3565 6.3565 6.6626 6.6626 6.7364 6.7364 7.0432 7.0432 7.4312 7.4312 8.1966 8.1966 8.3211 8.3211 11.1070 11.1070 11.1608 11.1608 11.1987 11.1987 11.2473 11.2473 11.9432 11.9432 11.9827 11.9827 k = 0.3000 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9740 -54.9740 -54.8860 -54.8860 -29.3919 -29.3919 -29.3243 -29.3243 -28.6400 -28.6400 -28.5707 -28.5707 -28.4182 -28.4182 -28.2695 -28.2695 -8.1491 -8.1491 -7.7547 -7.7547 -7.7177 -7.7177 -7.4180 -7.4180 3.8537 3.8537 4.1381 4.1381 4.3559 4.3559 4.4935 4.4935 5.9163 5.9163 6.2997 6.2997 6.6190 6.6190 6.6972 6.6972 7.0647 7.0647 7.4498 7.4498 8.2397 8.2397 8.3608 8.3608 11.1435 11.1435 11.1803 11.1803 11.2351 11.2351 11.2697 11.2697 11.9211 11.9211 11.9602 11.9602 k = 0.3091 0.3217 0.3040 ( 2296 PWs) bands (ev): -54.9733 -54.9733 -54.8854 -54.8854 -29.3938 -29.3938 -29.3255 -29.3255 -28.6432 -28.6432 -28.5737 -28.5737 -28.4182 -28.4182 -28.2698 -28.2698 -8.1304 -8.1304 -7.7393 -7.7393 -7.7205 -7.7205 -7.4179 -7.4179 3.8756 3.8756 4.1479 4.1479 4.3364 4.3364 4.4616 4.4616 5.8680 5.8680 6.2451 6.2451 6.5759 6.5759 6.6587 6.6587 7.0861 7.0861 7.4681 7.4681 8.2812 8.2812 8.3987 8.3987 11.1693 11.1693 11.2084 11.2084 11.2588 11.2588 11.3044 11.3044 11.8991 11.8991 11.9381 11.9381 k = 0.3182 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9727 -54.9727 -54.8848 -54.8848 -29.3956 -29.3956 -29.3267 -29.3267 -28.6464 -28.6464 -28.5767 -28.5767 -28.4182 -28.4182 -28.2700 -28.2700 -8.1121 -8.1121 -7.7289 -7.7289 -7.7185 -7.7185 -7.4178 -7.4178 3.8965 3.8965 4.1562 4.1562 4.3185 4.3185 4.4314 4.4314 5.8228 5.8228 6.1928 6.1928 6.5334 6.5334 6.6212 6.6212 7.1073 7.1073 7.4863 7.4863 8.3210 8.3210 8.4349 8.4349 11.1861 11.1861 11.2425 11.2425 11.2762 11.2762 11.3458 11.3458 11.8775 11.8775 11.9165 11.9165 k = 0.3273 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9720 -54.9720 -54.8842 -54.8842 -29.3975 -29.3975 -29.3279 -29.3279 -28.6495 -28.6495 -28.5795 -28.5795 -28.4182 -28.4182 -28.2702 -28.2702 -8.0942 -8.0942 -7.7298 -7.7298 -7.7055 -7.7055 -7.4177 -7.4177 3.9164 3.9164 4.1629 4.1629 4.3020 4.3020 4.4029 4.4029 5.7806 5.7806 6.1431 6.1431 6.4917 6.4917 6.5847 6.5847 7.1282 7.1282 7.5040 7.5040 8.3590 8.3590 8.4692 8.4692 11.1995 11.1995 11.2725 11.2725 11.2966 11.2966 11.3886 11.3886 11.8562 11.8562 11.8954 11.8954 k = 0.3364 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9714 -54.9714 -54.8836 -54.8836 -29.3993 -29.3993 -29.3291 -29.3291 -28.6525 -28.6525 -28.5823 -28.5823 -28.4181 -28.4181 -28.2703 -28.2703 -8.0768 -8.0768 -7.7327 -7.7327 -7.6910 -7.6910 -7.4176 -7.4176 3.9351 3.9351 4.1681 4.1681 4.2869 4.2869 4.3759 4.3759 5.7417 5.7417 6.0959 6.0959 6.4509 6.4509 6.5493 6.5493 7.1488 7.1488 7.5214 7.5214 8.3952 8.3952 8.5018 8.5018 11.2113 11.2113 11.2905 11.2905 11.3275 11.3275 11.4310 11.4310 11.8355 11.8355 11.8749 11.8749 k = 0.3455 0.3217 0.3040 ( 2288 PWs) bands (ev): -54.9708 -54.9708 -54.8830 -54.8830 -29.4011 -29.4011 -29.3303 -29.3303 -28.6555 -28.6555 -28.5851 -28.5851 -28.4179 -28.4179 -28.2704 -28.2704 -8.0599 -8.0599 -7.7357 -7.7357 -7.6765 -7.6765 -7.4175 -7.4175 3.9528 3.9528 4.1716 4.1716 4.2731 4.2731 4.3506 4.3506 5.7061 5.7061 6.0514 6.0514 6.4111 6.4111 6.5152 6.5152 7.1690 7.1690 7.5384 7.5384 8.4296 8.4296 8.5327 8.5327 11.2222 11.2222 11.3028 11.3028 11.3623 11.3623 11.4725 11.4725 11.8156 11.8156 11.8553 11.8553 k = 0.3545 0.3217 0.3040 ( 2288 PWs) bands (ev): -54.9702 -54.9702 -54.8825 -54.8825 -29.4028 -29.4028 -29.3314 -29.3314 -28.6583 -28.6583 -28.5877 -28.5877 -28.4178 -28.4178 -28.2705 -28.2705 -8.0436 -8.0436 -7.7388 -7.7388 -7.6626 -7.6626 -7.4174 -7.4174 3.9692 3.9692 4.1737 4.1737 4.2606 4.2606 4.3269 4.3269 5.6736 5.6736 6.0096 6.0096 6.3726 6.3726 6.4824 6.4824 7.1886 7.1886 7.5548 7.5548 8.4622 8.4622 8.5617 8.5617 11.2322 11.2322 11.3131 11.3131 11.3970 11.3970 11.5123 11.5123 11.7965 11.7965 11.8366 11.8366 k = 0.3636 0.3217 0.3040 ( 2280 PWs) bands (ev): -54.9697 -54.9697 -54.8819 -54.8819 -29.4045 -29.4045 -29.3325 -29.3325 -28.6609 -28.6609 -28.5902 -28.5902 -28.4176 -28.4176 -28.2705 -28.2705 -8.0280 -8.0280 -7.7417 -7.7417 -7.6491 -7.6491 -7.4173 -7.4173 3.9844 3.9844 4.1743 4.1743 4.2494 4.2494 4.3049 4.3049 5.6444 5.6444 5.9706 5.9706 6.3355 6.3355 6.4510 6.4510 7.2077 7.2077 7.5706 7.5706 8.4929 8.4929 8.5889 8.5889 11.2416 11.2416 11.3223 11.3223 11.4307 11.4307 11.5499 11.5499 11.7788 11.7788 11.8191 11.8191 k = 0.3727 0.3217 0.3040 ( 2280 PWs) bands (ev): -54.9692 -54.9692 -54.8814 -54.8814 -29.4062 -29.4062 -29.3336 -29.3336 -28.6635 -28.6635 -28.5926 -28.5926 -28.4174 -28.4174 -28.2705 -28.2705 -8.0131 -8.0131 -7.7445 -7.7445 -7.6363 -7.6363 -7.4172 -7.4172 3.9983 3.9983 4.1735 4.1735 4.2392 4.2392 4.2845 4.2845 5.6181 5.6181 5.9343 5.9343 6.2999 6.2999 6.4212 6.4212 7.2260 7.2260 7.5858 7.5858 8.5217 8.5217 8.6144 8.6144 11.2502 11.2502 11.3306 11.3306 11.4630 11.4630 11.5843 11.5843 11.7627 11.7627 11.8034 11.8034 k = 0.3818 0.3217 0.3040 ( 2282 PWs) bands (ev): -54.9687 -54.9687 -54.8810 -54.8810 -29.4077 -29.4077 -29.3347 -29.3347 -28.6659 -28.6659 -28.5949 -28.5949 -28.4172 -28.4172 -28.2705 -28.2705 -7.9989 -7.9989 -7.7472 -7.7472 -7.6241 -7.6241 -7.4171 -7.4171 4.0110 4.0110 4.1716 4.1716 4.2300 4.2300 4.2659 4.2659 5.5949 5.5949 5.9009 5.9009 6.2660 6.2660 6.3930 6.3930 7.2435 7.2435 7.6002 7.6002 8.5486 8.5486 8.6380 8.6380 11.2581 11.2581 11.3382 11.3382 11.4936 11.4936 11.6138 11.6138 11.7489 11.7489 11.7905 11.7905 k = 0.3909 0.3217 0.3040 ( 2286 PWs) bands (ev): -54.9682 -54.9682 -54.8805 -54.8805 -29.4092 -29.4092 -29.3356 -29.3356 -28.6681 -28.6681 -28.5970 -28.5970 -28.4170 -28.4170 -28.2705 -28.2705 -7.9856 -7.9856 -7.7497 -7.7497 -7.6126 -7.6126 -7.4171 -7.4171 4.0224 4.0224 4.1686 4.1686 4.2215 4.2215 4.2491 4.2491 5.5744 5.5744 5.8702 5.8702 6.2338 6.2338 6.3665 6.3665 7.2601 7.2601 7.6138 7.6138 8.5736 8.5736 8.6599 8.6599 11.2653 11.2653 11.3452 11.3452 11.5224 11.5224 11.6359 11.6359 11.7377 11.7377 11.7827 11.7827 k = 0.4000 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9678 -54.9678 -54.8801 -54.8801 -29.4106 -29.4106 -29.3366 -29.3366 -28.6702 -28.6702 -28.5990 -28.5990 -28.4168 -28.4168 -28.2705 -28.2705 -7.9731 -7.9731 -7.7521 -7.7521 -7.6019 -7.6019 -7.4170 -7.4170 4.0326 4.0326 4.1648 4.1648 4.2135 4.2135 4.2344 4.2344 5.5566 5.5566 5.8423 5.8423 6.2037 6.2037 6.3418 6.3418 7.2758 7.2758 7.6266 7.6266 8.5966 8.5966 8.6800 8.6800 11.2720 11.2720 11.3515 11.3515 11.5492 11.5492 11.6478 11.6478 11.7284 11.7284 11.7834 11.7834 k = 0.4091 0.3217 0.3040 ( 2298 PWs) bands (ev): -54.9674 -54.9674 -54.8798 -54.8798 -29.4120 -29.4120 -29.3374 -29.3374 -28.6721 -28.6721 -28.6009 -28.6009 -28.4166 -28.4166 -28.2704 -28.2704 -7.9616 -7.9616 -7.7543 -7.7543 -7.5920 -7.5920 -7.4170 -7.4170 4.0417 4.0417 4.1603 4.1603 4.2052 4.2052 4.2224 4.2224 5.5412 5.5412 5.8172 5.8172 6.1756 6.1756 6.3189 6.3189 7.2904 7.2904 7.6385 7.6385 8.6177 8.6177 8.6983 8.6983 11.2779 11.2779 11.3572 11.3572 11.5735 11.5735 11.6500 11.6500 11.7192 11.7192 11.7941 11.7941 k = 0.4182 0.3217 0.3040 ( 2296 PWs) bands (ev): -54.9670 -54.9670 -54.8794 -54.8794 -29.4132 -29.4132 -29.3382 -29.3382 -28.6739 -28.6739 -28.6026 -28.6026 -28.4164 -28.4164 -28.2704 -28.2704 -7.9510 -7.9510 -7.7563 -7.7563 -7.5828 -7.5828 -7.4169 -7.4169 4.0496 4.0496 4.1553 4.1553 4.1962 4.1962 4.2134 4.2134 5.5280 5.5280 5.7947 5.7947 6.1498 6.1498 6.2981 6.2981 7.3039 7.3039 7.6494 7.6494 8.6368 8.6368 8.7148 8.7148 11.2833 11.2833 11.3622 11.3622 11.5947 11.5947 11.6468 11.6468 11.7099 11.7099 11.8114 11.8114 k = 0.4273 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9667 -54.9667 -54.8791 -54.8791 -29.4143 -29.4143 -29.3390 -29.3390 -28.6755 -28.6755 -28.6041 -28.6041 -28.4162 -28.4162 -28.2703 -28.2703 -7.9414 -7.9414 -7.7581 -7.7581 -7.5746 -7.5746 -7.4169 -7.4169 4.0565 4.0565 4.1501 4.1501 4.1868 4.1868 4.2071 4.2071 5.5169 5.5169 5.7748 5.7748 6.1263 6.1263 6.2792 6.2792 7.3162 7.3162 7.6593 7.6593 8.6540 8.6540 8.7295 8.7295 11.2881 11.2881 11.3667 11.3667 11.6109 11.6109 11.6430 11.6430 11.7014 11.7014 11.8312 11.8312 k = 0.4364 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9664 -54.9664 -54.8788 -54.8788 -29.4153 -29.4153 -29.3396 -29.3396 -28.6769 -28.6769 -28.6055 -28.6055 -28.4160 -28.4160 -28.2703 -28.2703 -7.9329 -7.9329 -7.7598 -7.7598 -7.5672 -7.5672 -7.4169 -7.4169 4.0625 4.0625 4.1448 4.1448 4.1778 4.1778 4.2024 4.2024 5.5077 5.5077 5.7575 5.7575 6.1052 6.1052 6.2624 6.2624 7.3272 7.3272 7.6682 7.6682 8.6691 8.6691 8.7425 8.7425 11.2923 11.2923 11.3707 11.3707 11.6173 11.6173 11.6446 11.6446 11.6949 11.6949 11.8510 11.8510 k = 0.4455 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9661 -54.9661 -54.8786 -54.8786 -29.4162 -29.4162 -29.3402 -29.3402 -28.6781 -28.6781 -28.6067 -28.6067 -28.4158 -28.4158 -28.2702 -28.2702 -7.9254 -7.9254 -7.7612 -7.7612 -7.5608 -7.5608 -7.4169 -7.4169 4.0675 4.0675 4.1397 4.1397 4.1698 4.1698 4.1989 4.1989 5.5000 5.5000 5.7427 5.7427 6.0868 6.0868 6.2477 6.2477 7.3369 7.3369 7.6759 7.6759 8.6822 8.6822 8.7538 8.7538 11.2959 11.2959 11.3741 11.3741 11.6145 11.6145 11.6505 11.6505 11.6922 11.6922 11.8694 11.8694 k = 0.4545 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9659 -54.9659 -54.8784 -54.8784 -29.4169 -29.4169 -29.3407 -29.3407 -28.6792 -28.6792 -28.6077 -28.6077 -28.4157 -28.4157 -28.2702 -28.2702 -7.9190 -7.9190 -7.7624 -7.7624 -7.5553 -7.5553 -7.4168 -7.4168 4.0717 4.0717 4.1350 4.1350 4.1629 4.1629 4.1962 4.1962 5.4939 5.4939 5.7302 5.7302 6.0710 6.0710 6.2352 6.2352 7.3452 7.3452 7.6825 7.6825 8.6934 8.6934 8.7633 8.7633 11.2989 11.2989 11.3769 11.3769 11.6092 11.6092 11.6531 11.6531 11.6947 11.6947 11.8858 11.8858 k = 0.4636 0.3217 0.3040 ( 2294 PWs) bands (ev): -54.9657 -54.9657 -54.8782 -54.8782 -29.4175 -29.4175 -29.3411 -29.3411 -28.6800 -28.6800 -28.6085 -28.6085 -28.4156 -28.4156 -28.2702 -28.2702 -7.9138 -7.9138 -7.7634 -7.7634 -7.5508 -7.5508 -7.4168 -7.4168 4.0752 4.0752 4.1308 4.1308 4.1572 4.1572 4.1941 4.1941 5.4891 5.4891 5.7202 5.7202 6.0579 6.0579 6.2249 6.2249 7.3521 7.3521 7.6880 7.6880 8.7025 8.7025 8.7710 8.7710 11.3013 11.3013 11.3792 11.3792 11.6039 11.6039 11.6520 11.6520 11.7005 11.7005 11.8996 11.8996 k = 0.4727 0.3217 0.3040 ( 2290 PWs) bands (ev): -54.9656 -54.9656 -54.8781 -54.8781 -29.4180 -29.4180 -29.3414 -29.3414 -28.6807 -28.6807 -28.6092 -28.6092 -28.4155 -28.4155 -28.2701 -28.2701 -7.9097 -7.9097 -7.7642 -7.7642 -7.5472 -7.5472 -7.4168 -7.4168 4.0778 4.0778 4.1273 4.1273 4.1528 4.1528 4.1926 4.1926 5.4855 5.4855 5.7124 5.7124 6.0477 6.0477 6.2169 6.2169 7.3575 7.3575 7.6923 7.6923 8.7096 8.7096 8.7771 8.7771 11.3032 11.3032 11.3811 11.3811 11.5995 11.5995 11.6496 11.6496 11.7069 11.7069 11.9105 11.9105 k = 0.4818 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9655 -54.9655 -54.8780 -54.8780 -29.4184 -29.4184 -29.3417 -29.3417 -28.6812 -28.6812 -28.6096 -28.6096 -28.4154 -28.4154 -28.2701 -28.2701 -7.9067 -7.9067 -7.7648 -7.7648 -7.5447 -7.5447 -7.4168 -7.4168 4.0798 4.0798 4.1247 4.1247 4.1496 4.1496 4.1915 4.1915 5.4830 5.4830 5.7069 5.7069 6.0404 6.0404 6.2111 6.2111 7.3613 7.3613 7.6954 7.6954 8.7147 8.7147 8.7814 8.7814 11.3046 11.3046 11.3823 11.3823 11.5962 11.5962 11.6473 11.6473 11.7121 11.7121 11.9185 11.9185 k = 0.4909 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4186 -29.4186 -29.3418 -29.3418 -28.6814 -28.6814 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9050 -7.9050 -7.7651 -7.7651 -7.5432 -7.5432 -7.4168 -7.4168 4.0810 4.0810 4.1230 4.1230 4.1477 4.1477 4.1909 4.1909 5.4816 5.4816 5.7036 5.7036 6.0360 6.0360 6.2076 6.2076 7.3637 7.3637 7.6972 7.6972 8.7177 8.7177 8.7839 8.7839 11.3054 11.3054 11.3831 11.3831 11.5942 11.5942 11.6458 11.6458 11.7154 11.7154 11.9233 11.9233 k = 0.5000 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4186 -29.4186 -29.3419 -29.3419 -28.6815 -28.6815 -28.6100 -28.6100 -28.4154 -28.4154 -28.2701 -28.2701 -7.9044 -7.9044 -7.7652 -7.7652 -7.5427 -7.5427 -7.4168 -7.4168 4.0814 4.0814 4.1225 4.1225 4.1471 4.1471 4.1907 4.1907 5.4811 5.4811 5.7025 5.7025 6.0345 6.0345 6.2065 6.2065 7.3645 7.3645 7.6978 7.6978 8.7188 8.7188 8.7848 8.7848 11.3057 11.3057 11.3834 11.3834 11.5935 11.5935 11.6452 11.6452 11.7165 11.7165 11.9249 11.9249 k = 0.5000 0.3217 0.3040 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4186 -29.4186 -29.3419 -29.3419 -28.6815 -28.6815 -28.6100 -28.6100 -28.4154 -28.4154 -28.2701 -28.2701 -7.9044 -7.9044 -7.7652 -7.7652 -7.5427 -7.5427 -7.4168 -7.4168 4.0814 4.0814 4.1225 4.1225 4.1471 4.1471 4.1907 4.1907 5.4811 5.4811 5.7025 5.7025 6.0345 6.0345 6.2065 6.2065 7.3645 7.3645 7.6978 7.6978 8.7188 8.7188 8.7848 8.7848 11.3057 11.3057 11.3834 11.3834 11.5935 11.5935 11.6452 11.6452 11.7165 11.7165 11.9249 11.9249 k = 0.5000 0.3264 0.2990 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4186 -29.4186 -29.3418 -29.3418 -28.6815 -28.6815 -28.6100 -28.6100 -28.4154 -28.4154 -28.2701 -28.2701 -7.9062 -7.9062 -7.7634 -7.7634 -7.5428 -7.5428 -7.4167 -7.4167 4.0815 4.0815 4.1190 4.1190 4.1468 4.1468 4.1948 4.1948 5.4821 5.4821 5.6990 5.6990 6.0379 6.0379 6.2064 6.2064 7.3647 7.3647 7.6970 7.6970 8.7184 8.7184 8.7841 8.7841 11.3046 11.3046 11.3766 11.3766 11.5936 11.5936 11.6521 11.6521 11.7170 11.7170 11.9250 11.9250 k = 0.5000 0.3312 0.2940 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6816 -28.6816 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9113 -7.9113 -7.7582 -7.7582 -7.5432 -7.5432 -7.4163 -7.4163 4.0819 4.0819 4.1099 4.1099 4.1470 4.1470 4.2048 4.2048 5.4854 5.4854 5.6890 5.6890 6.0476 6.0476 6.2063 6.2063 7.3655 7.3655 7.6946 7.6946 8.7175 8.7175 8.7818 8.7818 11.3014 11.3014 11.3583 11.3583 11.5939 11.5939 11.6707 11.6707 11.7185 11.7185 11.9251 11.9251 k = 0.5000 0.3312 0.2940 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6816 -28.6816 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9113 -7.9113 -7.7582 -7.7582 -7.5432 -7.5432 -7.4163 -7.4163 4.0819 4.0819 4.1099 4.1099 4.1470 4.1470 4.2048 4.2048 5.4854 5.4854 5.6890 5.6890 6.0476 6.0476 6.2063 6.2063 7.3655 7.3655 7.6946 7.6946 8.7175 8.7175 8.7818 8.7818 11.3014 11.3014 11.3583 11.3583 11.5939 11.5939 11.6707 11.6707 11.7185 11.7185 11.9251 11.9251 k = 0.5000 0.3309 0.2848 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6816 -28.6816 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9191 -7.9191 -7.7503 -7.7503 -7.5468 -7.5468 -7.4128 -7.4128 4.0833 4.0833 4.1009 4.1009 4.1475 4.1475 4.2145 4.2145 5.4872 5.4872 5.6746 5.6746 6.0621 6.0621 6.2094 6.2094 7.3657 7.3657 7.6906 7.6906 8.7165 8.7165 8.7785 8.7785 11.2924 11.2924 11.3337 11.3337 11.5979 11.5979 11.6944 11.6944 11.7225 11.7225 11.9250 11.9250 k = 0.5000 0.3306 0.2756 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6817 -28.6817 -28.6098 -28.6098 -28.4154 -28.4154 -28.2701 -28.2701 -7.9289 -7.9289 -7.7404 -7.7404 -7.5539 -7.5539 -7.4057 -7.4057 4.0835 4.0835 4.0921 4.0921 4.1495 4.1495 4.2256 4.2256 5.4858 5.4858 5.6579 5.6579 6.0806 6.0806 6.2176 6.2176 7.3650 7.3650 7.6851 7.6851 8.7142 8.7142 8.7730 8.7730 11.2742 11.2742 11.3042 11.3042 11.6091 11.6091 11.7139 11.7139 11.7361 11.7361 11.9254 11.9254 k = 0.5000 0.3303 0.2664 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4188 -29.4188 -29.3418 -29.3418 -28.6818 -28.6818 -28.6096 -28.6096 -28.4154 -28.4154 -28.2700 -28.2700 -7.9401 -7.9401 -7.7290 -7.7290 -7.5636 -7.5636 -7.3960 -7.3960 4.0788 4.0788 4.0878 4.0878 4.1528 4.1528 4.2376 4.2376 5.4815 5.4815 5.6396 5.6396 6.1022 6.1022 6.2306 6.2306 7.3632 7.3632 7.6781 7.6781 8.7109 8.7109 8.7655 8.7655 11.2486 11.2486 11.2718 11.2718 11.6249 11.6249 11.7227 11.7227 11.7645 11.7645 11.9263 11.9263 k = 0.5000 0.3300 0.2571 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4189 -29.4189 -29.3417 -29.3417 -28.6820 -28.6820 -28.6094 -28.6094 -28.4154 -28.4154 -28.2700 -28.2700 -7.9523 -7.9523 -7.7167 -7.7167 -7.5750 -7.5750 -7.3845 -7.3845 4.0698 4.0698 4.0874 4.0874 4.1573 4.1573 4.2504 4.2504 5.4746 5.4746 5.6204 5.6204 6.1261 6.1261 6.2480 6.2480 7.3605 7.3605 7.6698 7.6698 8.7065 8.7065 8.7561 8.7561 11.2180 11.2180 11.2377 11.2377 11.6425 11.6425 11.7307 11.7307 11.7969 11.7969 11.9280 11.9280 k = 0.5000 0.3297 0.2479 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4189 -29.4189 -29.3417 -29.3417 -28.6821 -28.6821 -28.6092 -28.6092 -28.4154 -28.4154 -28.2700 -28.2700 -7.9650 -7.9650 -7.7038 -7.7038 -7.5875 -7.5875 -7.3719 -7.3719 4.0603 4.0603 4.0876 4.0876 4.1629 4.1629 4.2636 4.2636 5.4656 5.4656 5.6010 5.6010 6.1518 6.1518 6.2693 6.2693 7.3568 7.3568 7.6600 7.6600 8.7011 8.7011 8.7449 8.7449 11.1840 11.1840 11.2023 11.2023 11.6588 11.6588 11.7419 11.7419 11.8296 11.8296 11.9309 11.9309 k = 0.5000 0.3295 0.2387 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4190 -29.4190 -29.3416 -29.3416 -28.6823 -28.6823 -28.6090 -28.6090 -28.4154 -28.4154 -28.2699 -28.2699 -7.9780 -7.9780 -7.6905 -7.6905 -7.6006 -7.6006 -7.3586 -7.3586 4.0510 4.0510 4.0877 4.0877 4.1693 4.1693 4.2774 4.2774 5.4550 5.4550 5.5818 5.5818 6.1788 6.1788 6.2941 6.2941 7.3522 7.3522 7.6488 7.6488 8.6948 8.6948 8.7319 8.7319 11.1481 11.1481 11.1661 11.1661 11.6717 11.6717 11.7577 11.7577 11.8606 11.8606 11.9360 11.9360 k = 0.5000 0.3292 0.2295 ( 2282 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4191 -29.4191 -29.3415 -29.3415 -28.6826 -28.6826 -28.6087 -28.6087 -28.4153 -28.4153 -28.2699 -28.2699 -7.9912 -7.9912 -7.6772 -7.6772 -7.6141 -7.6141 -7.3450 -7.3450 4.0419 4.0419 4.0879 4.0879 4.1764 4.1764 4.2916 4.2916 5.4433 5.4433 5.5631 5.5631 6.2069 6.2069 6.3217 6.3217 7.3466 7.3466 7.6363 7.6363 8.6877 8.6877 8.7173 8.7173 11.1111 11.1111 11.1291 11.1291 11.6809 11.6809 11.7779 11.7779 11.8868 11.8868 11.9460 11.9460 k = 0.5000 0.3289 0.2203 ( 2286 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4192 -29.4192 -29.3415 -29.3415 -28.6828 -28.6828 -28.6084 -28.6084 -28.4153 -28.4153 -28.2699 -28.2699 -8.0044 -8.0044 -7.6639 -7.6639 -7.6276 -7.6276 -7.3312 -7.3312 4.0330 4.0330 4.0882 4.0882 4.1840 4.1840 4.3060 4.3060 5.4309 5.4309 5.5451 5.5451 6.2356 6.2356 6.3516 6.3516 7.3401 7.3401 7.6225 7.6225 8.6798 8.6798 8.7014 8.7014 11.0735 11.0735 11.0917 11.0917 11.6870 11.6870 11.8012 11.8012 11.9043 11.9043 11.9643 11.9643 k = 0.5000 0.3286 0.2111 ( 2282 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4194 -29.4194 -29.3414 -29.3414 -28.6831 -28.6831 -28.6081 -28.6081 -28.4153 -28.4153 -28.2698 -28.2698 -8.0176 -8.0176 -7.6516 -7.6516 -7.6402 -7.6402 -7.3173 -7.3173 4.0243 4.0243 4.0887 4.0887 4.1921 4.1921 4.3207 4.3207 5.4183 5.4183 5.5282 5.5282 6.2647 6.2647 6.3835 6.3835 7.3327 7.3327 7.6075 7.6075 8.6711 8.6711 8.6843 8.6843 11.0358 11.0358 11.0540 11.0540 11.6911 11.6911 11.8261 11.8261 11.9138 11.9138 11.9900 11.9900 k = 0.5000 0.3283 0.2019 ( 2282 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4195 -29.4195 -29.3413 -29.3413 -28.6833 -28.6833 -28.6077 -28.6077 -28.4153 -28.4153 -28.2698 -28.2698 -8.0305 -8.0305 -7.6561 -7.6561 -7.6361 -7.6361 -7.3035 -7.3035 4.0160 4.0160 4.0892 4.0892 4.2004 4.2004 4.3355 4.3355 5.4058 5.4058 5.5124 5.5124 6.2942 6.2942 6.4168 6.4168 7.3244 7.3244 7.5912 7.5912 8.6609 8.6609 8.6670 8.6670 10.9982 10.9982 11.0163 11.0163 11.6940 11.6940 11.8515 11.8515 11.9195 11.9195 12.0190 12.0190 k = 0.5000 0.3280 0.1926 ( 2284 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4196 -29.4196 -29.3412 -29.3412 -28.6836 -28.6836 -28.6073 -28.6073 -28.4153 -28.4153 -28.2697 -28.2697 -8.0433 -8.0433 -7.6691 -7.6691 -7.6235 -7.6235 -7.2899 -7.2899 4.0079 4.0079 4.0899 4.0899 4.2088 4.2088 4.3503 4.3503 5.3936 5.3936 5.4980 5.4980 6.3237 6.3237 6.4511 6.4511 7.3153 7.3153 7.5738 7.5738 8.6448 8.6448 8.6545 8.6545 10.9608 10.9608 10.9787 10.9787 11.6962 11.6962 11.8765 11.8765 11.9239 11.9239 12.0486 12.0486 k = 0.5000 0.3277 0.1834 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4198 -29.4198 -29.3411 -29.3411 -28.6839 -28.6839 -28.6070 -28.6070 -28.4153 -28.4153 -28.2697 -28.2697 -8.0557 -8.0557 -7.6821 -7.6821 -7.6109 -7.6109 -7.2765 -7.2765 4.0000 4.0000 4.0907 4.0907 4.2173 4.2173 4.3652 4.3652 5.3822 5.3822 5.4849 5.4849 6.3531 6.3531 6.4863 6.4863 7.3054 7.3054 7.5553 7.5553 8.6251 8.6251 8.6445 8.6445 10.9238 10.9238 10.9414 10.9414 11.6978 11.6978 11.8998 11.8998 11.9288 11.9288 12.0778 12.0778 k = 0.5000 0.3274 0.1742 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4199 -29.4199 -29.3410 -29.3410 -28.6842 -28.6842 -28.6066 -28.6066 -28.4153 -28.4153 -28.2696 -28.2696 -8.0678 -8.0678 -7.6949 -7.6949 -7.5985 -7.5985 -7.2635 -7.2635 3.9924 3.9924 4.0916 4.0916 4.2258 4.2258 4.3799 4.3799 5.3716 5.3716 5.4733 5.4733 6.3823 6.3823 6.5218 6.5218 7.2947 7.2947 7.5358 7.5358 8.6045 8.6045 8.6347 8.6347 10.8875 10.8875 10.9047 10.9047 11.6990 11.6990 11.9171 11.9171 11.9383 11.9383 12.1061 12.1061 k = 0.5000 0.3272 0.1650 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4200 -29.4200 -29.3409 -29.3409 -28.6845 -28.6845 -28.6062 -28.6062 -28.4153 -28.4153 -28.2695 -28.2695 -8.0796 -8.0796 -7.7074 -7.7074 -7.5865 -7.5865 -7.2508 -7.2508 3.9850 3.9850 4.0927 4.0927 4.2342 4.2342 4.3944 4.3944 5.3621 5.3621 5.4632 5.4632 6.4112 6.4112 6.5575 6.5575 7.2833 7.2833 7.5155 7.5155 8.5834 8.5834 8.6249 8.6249 10.8519 10.8519 10.8685 10.8685 11.7000 11.7000 11.9248 11.9248 11.9561 11.9561 12.1331 12.1331 k = 0.5000 0.3269 0.1558 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4202 -29.4202 -29.3408 -29.3408 -28.6849 -28.6849 -28.6058 -28.6058 -28.4153 -28.4153 -28.2695 -28.2695 -8.0910 -8.0910 -7.7194 -7.7194 -7.5748 -7.5748 -7.2385 -7.2385 3.9779 3.9779 4.0938 4.0938 4.2424 4.2424 4.4086 4.4086 5.3538 5.3538 5.4546 5.4546 6.4395 6.4395 6.5932 6.5932 7.2713 7.2713 7.4943 7.4943 8.5622 8.5622 8.6153 8.6153 10.8171 10.8171 10.8331 10.8331 11.7007 11.7007 11.9283 11.9283 11.9766 11.9766 12.1588 12.1588 k = 0.5000 0.3266 0.1466 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4203 -29.4203 -29.3407 -29.3407 -28.6852 -28.6852 -28.6054 -28.6054 -28.4153 -28.4153 -28.2694 -28.2694 -8.1019 -8.1019 -7.7310 -7.7310 -7.5636 -7.5636 -7.2266 -7.2266 3.9710 3.9710 4.0950 4.0950 4.2503 4.2503 4.4225 4.4225 5.3467 5.3467 5.4476 5.4476 6.4673 6.4673 6.6285 6.6285 7.2586 7.2586 7.4725 7.4725 8.5410 8.5410 8.6059 8.6059 10.7833 10.7833 10.7987 10.7987 11.7012 11.7012 11.9308 11.9308 11.9964 11.9964 12.1829 12.1829 k = 0.5000 0.3263 0.1374 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4205 -29.4205 -29.3406 -29.3406 -28.6855 -28.6855 -28.6050 -28.6050 -28.4153 -28.4153 -28.2694 -28.2694 -8.1123 -8.1123 -7.7421 -7.7421 -7.5529 -7.5529 -7.2153 -7.2153 3.9643 3.9643 4.0962 4.0962 4.2579 4.2579 4.4358 4.4358 5.3408 5.3408 5.4420 5.4420 6.4944 6.4944 6.6633 6.6633 7.2454 7.2454 7.4501 7.4501 8.5200 8.5200 8.5967 8.5967 10.7505 10.7505 10.7653 10.7653 11.7016 11.7016 11.9328 11.9328 12.0150 12.0150 12.2053 12.2053 k = 0.5000 0.3260 0.1282 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4206 -29.4206 -29.3405 -29.3405 -28.6858 -28.6858 -28.6046 -28.6046 -28.4153 -28.4153 -28.2693 -28.2693 -8.1222 -8.1222 -7.7527 -7.7527 -7.5427 -7.5427 -7.2044 -7.2044 3.9579 3.9579 4.0975 4.0975 4.2651 4.2651 4.4486 4.4486 5.3363 5.3363 5.4379 5.4379 6.5207 6.5207 6.6974 6.6974 7.2317 7.2317 7.4272 7.4272 8.4993 8.4993 8.5880 8.5880 10.7189 10.7189 10.7332 10.7332 11.7018 11.7018 11.9346 11.9346 12.0319 12.0319 12.2260 12.2260 k = 0.5000 0.3257 0.1189 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4208 -29.4208 -29.3404 -29.3404 -28.6861 -28.6861 -28.6042 -28.6042 -28.4153 -28.4153 -28.2692 -28.2692 -8.1316 -8.1316 -7.7627 -7.7627 -7.5330 -7.5330 -7.1941 -7.1941 3.9518 3.9518 4.0987 4.0987 4.2719 4.2719 4.4607 4.4607 5.3331 5.3331 5.4351 5.4351 6.5461 6.5461 6.7306 6.7306 7.2176 7.2176 7.4041 7.4041 8.4793 8.4793 8.5797 8.5797 10.6886 10.6886 10.7024 10.7024 11.7019 11.7019 11.9361 11.9361 12.0471 12.0471 12.2449 12.2449 k = 0.5000 0.3254 0.1097 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4209 -29.4209 -29.3403 -29.3403 -28.6864 -28.6864 -28.6039 -28.6039 -28.4153 -28.4153 -28.2692 -28.2692 -8.1405 -8.1405 -7.7722 -7.7722 -7.5239 -7.5239 -7.1844 -7.1844 3.9459 3.9459 4.0999 4.0999 4.2783 4.2783 4.4722 4.4722 5.3310 5.3310 5.4336 5.4336 6.5705 6.5705 6.7628 6.7628 7.2033 7.2033 7.3809 7.3809 8.4600 8.4600 8.5718 8.5718 10.6597 10.6597 10.6731 10.6731 11.7019 11.7019 11.9374 11.9374 12.0605 12.0605 12.2620 12.2620 k = 0.5000 0.3251 0.1005 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4210 -29.4210 -29.3403 -29.3403 -28.6866 -28.6866 -28.6035 -28.6035 -28.4153 -28.4153 -28.2691 -28.2691 -8.1488 -8.1488 -7.7810 -7.7810 -7.5153 -7.5153 -7.1753 -7.1753 3.9404 3.9404 4.1011 4.1011 4.2842 4.2842 4.4829 4.4829 5.3301 5.3301 5.4332 5.4332 6.5939 6.5939 6.7938 6.7938 7.1888 7.1888 7.3577 7.3577 8.4416 8.4416 8.5646 8.5646 10.6323 10.6323 10.6454 10.6454 11.7018 11.7018 11.9386 11.9386 12.0721 12.0721 12.2773 12.2773 k = 0.5000 0.3248 0.0913 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4212 -29.4212 -29.3402 -29.3402 -28.6869 -28.6869 -28.6032 -28.6032 -28.4152 -28.4152 -28.2691 -28.2691 -8.1565 -8.1565 -7.7892 -7.7892 -7.5074 -7.5074 -7.1669 -7.1669 3.9351 3.9351 4.1022 4.1022 4.2897 4.2897 4.4928 4.4928 5.3303 5.3303 5.4337 5.4337 6.6162 6.6162 6.8235 6.8235 7.1742 7.1742 7.3347 7.3347 8.4243 8.4243 8.5579 8.5579 10.6065 10.6065 10.6195 10.6195 11.7015 11.7015 11.9395 11.9395 12.0819 12.0819 12.2909 12.2909 k = 0.5000 0.3246 0.0821 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4213 -29.4213 -29.3401 -29.3401 -28.6871 -28.6871 -28.6029 -28.6029 -28.4152 -28.4152 -28.2690 -28.2690 -8.1635 -8.1635 -7.7968 -7.7968 -7.5001 -7.5001 -7.1591 -7.1591 3.9302 3.9302 4.1032 4.1032 4.2946 4.2946 4.5018 4.5018 5.3312 5.3312 5.4351 5.4351 6.6372 6.6372 6.8518 6.8518 7.1598 7.1598 7.3121 7.3121 8.4081 8.4081 8.5518 8.5518 10.5824 10.5824 10.5955 10.5955 11.7012 11.7012 11.9404 11.9404 12.0900 12.0900 12.3026 12.3026 k = 0.5000 0.3243 0.0729 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4214 -29.4214 -29.3400 -29.3400 -28.6873 -28.6873 -28.6026 -28.6026 -28.4152 -28.4152 -28.2690 -28.2690 -8.1700 -8.1700 -7.8037 -7.8037 -7.4934 -7.4934 -7.1520 -7.1520 3.9257 3.9257 4.1041 4.1041 4.2990 4.2990 4.5100 4.5100 5.3329 5.3329 5.4371 5.4371 6.6569 6.6569 6.8786 6.8786 7.1456 7.1456 7.2900 7.2900 8.3932 8.3932 8.5463 8.5463 10.5602 10.5602 10.5734 10.5734 11.7009 11.7009 11.9411 11.9411 12.0964 12.0964 12.3127 12.3127 k = 0.5000 0.3240 0.0637 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4215 -29.4215 -29.3400 -29.3400 -28.6875 -28.6875 -28.6023 -28.6023 -28.4152 -28.4152 -28.2689 -28.2689 -8.1758 -8.1758 -7.8100 -7.8100 -7.4874 -7.4874 -7.1455 -7.1455 3.9216 3.9216 4.1050 4.1050 4.3030 4.3030 4.5173 4.5173 5.3351 5.3351 5.4396 5.4396 6.6753 6.6753 6.9038 6.9038 7.1318 7.1318 7.2687 7.2687 8.3797 8.3797 8.5414 8.5414 10.5399 10.5399 10.5534 10.5534 11.7005 11.7005 11.9417 11.9417 12.1015 12.1015 12.3213 12.3213 k = 0.5000 0.3237 0.0544 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3399 -29.3399 -28.6877 -28.6877 -28.6021 -28.6021 -28.4152 -28.4152 -28.2689 -28.2689 -8.1810 -8.1810 -7.8155 -7.8155 -7.4821 -7.4821 -7.1398 -7.1398 3.9179 3.9179 4.1057 4.1057 4.3065 4.3065 4.5237 4.5237 5.3376 5.3376 5.4423 5.4423 6.6921 6.6921 6.9274 6.9274 7.1187 7.1187 7.2482 7.2482 8.3676 8.3676 8.5372 8.5372 10.5217 10.5217 10.5356 10.5356 11.7000 11.7000 11.9422 11.9422 12.1053 12.1053 12.3284 12.3284 k = 0.5000 0.3234 0.0452 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3399 -29.3399 -28.6879 -28.6879 -28.6019 -28.6019 -28.4152 -28.4152 -28.2689 -28.2689 -8.1855 -8.1855 -7.8203 -7.8203 -7.4774 -7.4774 -7.1348 -7.1348 3.9146 3.9146 4.1064 4.1064 4.3095 4.3095 4.5292 4.5292 5.3403 5.3403 5.4451 5.4451 6.7072 6.7072 6.9492 6.9492 7.1065 7.1065 7.2287 7.2287 8.3570 8.3570 8.5336 8.5336 10.5057 10.5057 10.5200 10.5200 11.6996 11.6996 11.9425 11.9425 12.1081 12.1081 12.3343 12.3343 k = 0.5000 0.3231 0.0360 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3398 -29.3398 -28.6880 -28.6880 -28.6017 -28.6017 -28.4152 -28.4152 -28.2688 -28.2688 -8.1893 -8.1893 -7.8244 -7.8244 -7.4735 -7.4735 -7.1306 -7.1306 3.9118 3.9118 4.1069 4.1069 4.3120 4.3120 4.5339 4.5339 5.3429 5.3429 5.4478 5.4478 6.7205 6.7205 6.9691 6.9691 7.0954 7.0954 7.2106 7.2106 8.3480 8.3480 8.5306 8.5306 10.4920 10.4920 10.5067 10.5067 11.6992 11.6992 11.9428 11.9428 12.1100 12.1100 12.3389 12.3389 k = 0.5000 0.3228 0.0268 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4218 -29.4218 -29.3398 -29.3398 -28.6881 -28.6881 -28.6015 -28.6015 -28.4152 -28.4152 -28.2688 -28.2688 -8.1924 -8.1924 -7.8278 -7.8278 -7.4702 -7.4702 -7.1271 -7.1271 3.9095 3.9095 4.1074 4.1074 4.3140 4.3140 4.5377 4.5377 5.3454 5.3454 5.4503 5.4503 6.7319 6.7319 6.9869 6.9869 7.0858 7.0858 7.1941 7.1941 8.3406 8.3406 8.5281 8.5281 10.4806 10.4806 10.4957 10.4957 11.6989 11.6989 11.9430 11.9430 12.1112 12.1112 12.3425 12.3425 k = 0.5000 0.3225 0.0176 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4218 -29.4218 -29.3397 -29.3397 -28.6882 -28.6882 -28.6014 -28.6014 -28.4152 -28.4152 -28.2688 -28.2688 -8.1949 -8.1949 -7.8304 -7.8304 -7.4677 -7.4677 -7.1244 -7.1244 3.9077 3.9077 4.1077 4.1077 4.3156 4.3156 4.5406 4.5406 5.3474 5.3474 5.4524 5.4524 6.7410 6.7410 7.0023 7.0023 7.0779 7.0779 7.1797 7.1797 8.3348 8.3348 8.5263 8.5263 10.4717 10.4717 10.4871 10.4871 11.6986 11.6986 11.9431 11.9431 12.1120 12.1120 12.3452 12.3452 k = 0.5000 0.3223 0.0084 ( 2284 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4219 -29.4219 -29.3397 -29.3397 -28.6883 -28.6883 -28.6013 -28.6013 -28.4152 -28.4152 -28.2688 -28.2688 -8.1966 -8.1966 -7.8323 -7.8323 -7.4658 -7.4658 -7.1225 -7.1225 3.9064 3.9064 4.1079 4.1079 4.3167 4.3167 4.5427 4.5427 5.3490 5.3490 5.4540 5.4540 6.7477 6.7477 7.0145 7.0145 7.0720 7.0720 7.1680 7.1680 8.3306 8.3306 8.5249 8.5249 10.4653 10.4653 10.4810 10.4810 11.6983 11.6983 11.9433 11.9433 12.1124 12.1124 12.3470 12.3470 k = 0.5000 0.3220-0.0008 ( 2282 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4219 -29.4219 -29.3397 -29.3397 -28.6883 -28.6883 -28.6013 -28.6013 -28.4152 -28.4152 -28.2688 -28.2688 -8.1977 -8.1977 -7.8334 -7.8334 -7.4648 -7.4648 -7.1213 -7.1213 3.9056 3.9056 4.1081 4.1081 4.3174 4.3174 4.5440 4.5440 5.3500 5.3500 5.4549 5.4549 6.7518 6.7518 7.0226 7.0226 7.0683 7.0683 7.1603 7.1603 8.3281 8.3281 8.5241 8.5241 10.4614 10.4614 10.4773 10.4773 11.6982 11.6982 11.9433 11.9433 12.1127 12.1127 12.3481 12.3481 k = 0.5000 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4219 -29.4219 -29.3397 -29.3397 -28.6883 -28.6883 -28.6013 -28.6013 -28.4152 -28.4152 -28.2688 -28.2688 -8.1980 -8.1980 -7.8338 -7.8338 -7.4644 -7.4644 -7.1209 -7.1209 3.9053 3.9053 4.1081 4.1081 4.3176 4.3176 4.5444 4.5444 5.3503 5.3503 5.4553 5.4553 6.7532 6.7532 7.0255 7.0255 7.0671 7.0671 7.1576 7.1576 8.3273 8.3273 8.5239 8.5239 10.4601 10.4601 10.4761 10.4761 11.6981 11.6981 11.9433 11.9433 12.1127 12.1127 12.3484 12.3484 k = 0.5000 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4219 -29.4219 -29.3397 -29.3397 -28.6883 -28.6883 -28.6013 -28.6013 -28.4152 -28.4152 -28.2688 -28.2688 -8.1980 -8.1980 -7.8338 -7.8338 -7.4644 -7.4644 -7.1209 -7.1209 3.9053 3.9053 4.1081 4.1081 4.3176 4.3176 4.5444 4.5444 5.3503 5.3503 5.4553 5.4553 6.7532 6.7532 7.0255 7.0255 7.0671 7.0671 7.1576 7.1576 8.3273 8.3273 8.5239 8.5239 10.4601 10.4601 10.4761 10.4761 11.6981 11.6981 11.9433 11.9433 12.1127 12.1127 12.3484 12.3484 k = 0.4909 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4218 -29.4218 -29.3397 -29.3397 -28.6882 -28.6882 -28.6012 -28.6012 -28.4152 -28.4152 -28.2688 -28.2688 -8.1980 -8.1980 -7.8342 -7.8342 -7.4646 -7.4646 -7.1213 -7.1213 3.9070 3.9070 4.1097 4.1097 4.3174 4.3174 4.5444 4.5444 5.3510 5.3510 5.4555 5.4555 6.7487 6.7487 7.0030 7.0030 7.0885 7.0885 7.1609 7.1609 8.3274 8.3274 8.5235 8.5235 10.4610 10.4610 10.4769 10.4769 11.6980 11.6980 11.9427 11.9427 12.1127 12.1127 12.3483 12.3483 k = 0.4818 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9655 -54.9655 -54.8780 -54.8780 -29.4216 -29.4216 -29.3395 -29.3395 -28.6879 -28.6879 -28.6009 -28.6009 -28.4153 -28.4153 -28.2688 -28.2688 -8.1980 -8.1980 -7.8355 -7.8355 -7.4652 -7.4652 -7.1227 -7.1227 3.9121 3.9121 4.1144 4.1144 4.3167 4.3167 4.5446 4.5446 5.3531 5.3531 5.4563 5.4563 6.7355 6.7355 6.9668 6.9668 7.1216 7.1216 7.1705 7.1705 8.3275 8.3275 8.5226 8.5226 10.4638 10.4638 10.4796 10.4796 11.6976 11.6976 11.9407 11.9407 12.1128 12.1128 12.3478 12.3478 k = 0.4727 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9656 -54.9656 -54.8781 -54.8781 -29.4212 -29.4212 -29.3393 -29.3393 -28.6874 -28.6874 -28.6004 -28.6004 -28.4154 -28.4154 -28.2688 -28.2688 -8.1980 -8.1980 -7.8375 -7.8375 -7.4662 -7.4662 -7.1249 -7.1249 3.9205 3.9205 4.1222 4.1222 4.3156 4.3156 4.5448 4.5448 5.3565 5.3565 5.4576 5.4576 6.7151 6.7151 6.9283 6.9283 7.1548 7.1548 7.1851 7.1851 8.3279 8.3279 8.5210 8.5210 10.4684 10.4684 10.4840 10.4840 11.6970 11.6970 11.9374 11.9374 12.1128 12.1128 12.3469 12.3469 k = 0.4636 0.3217-0.0101 ( 2292 PWs) bands (ev): -54.9657 -54.9657 -54.8782 -54.8782 -29.4207 -29.4207 -29.3390 -29.3390 -28.6867 -28.6867 -28.5998 -28.5998 -28.4155 -28.4155 -28.2689 -28.2689 -8.1980 -8.1980 -7.8404 -7.8404 -7.4676 -7.4676 -7.1279 -7.1279 3.9322 3.9322 4.1331 4.1331 4.3141 4.3141 4.5451 4.5451 5.3612 5.3612 5.4593 5.4593 6.6888 6.6888 6.8889 6.8889 7.1863 7.1863 7.2037 7.2037 8.3285 8.3285 8.5189 8.5189 10.4748 10.4748 10.4902 10.4902 11.6960 11.6960 11.9328 11.9328 12.1129 12.1129 12.3457 12.3457 k = 0.4545 0.3217-0.0101 ( 2292 PWs) bands (ev): -54.9659 -54.9659 -54.8784 -54.8784 -29.4201 -29.4201 -29.3386 -29.3386 -28.6858 -28.6858 -28.5989 -28.5989 -28.4157 -28.4157 -28.2689 -28.2689 -8.1980 -8.1980 -7.8442 -7.8442 -7.4693 -7.4693 -7.1318 -7.1318 3.9473 3.9473 4.1471 4.1471 4.3123 4.3123 4.5457 4.5457 5.3671 5.3671 5.4613 5.4613 6.6582 6.6582 6.8488 6.8488 7.2142 7.2142 7.2262 7.2262 8.3296 8.3296 8.5165 8.5165 10.4829 10.4829 10.4979 10.4979 11.6948 11.6948 11.9269 11.9269 12.1130 12.1130 12.3442 12.3442 k = 0.4455 0.3217-0.0101 ( 2292 PWs) bands (ev): -54.9661 -54.9661 -54.8786 -54.8786 -29.4193 -29.4193 -29.3381 -29.3381 -28.6847 -28.6847 -28.5979 -28.5979 -28.4159 -28.4159 -28.2690 -28.2690 -8.1979 -8.1979 -7.8487 -7.8487 -7.4713 -7.4713 -7.1366 -7.1366 3.9656 3.9656 4.1640 4.1640 4.3103 4.3103 4.5465 4.5465 5.3740 5.3740 5.4634 5.4634 6.6245 6.6245 6.8085 6.8085 7.2375 7.2375 7.2523 7.2523 8.3311 8.3311 8.5138 8.5138 10.4926 10.4926 10.5072 10.5072 11.6933 11.6933 11.9197 11.9197 12.1132 12.1132 12.3424 12.3424 k = 0.4364 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9664 -54.9664 -54.8788 -54.8788 -29.4183 -29.4183 -29.3375 -29.3375 -28.6834 -28.6834 -28.5967 -28.5967 -28.4162 -28.4162 -28.2691 -28.2691 -8.1979 -8.1979 -7.8542 -7.8542 -7.4737 -7.4737 -7.1421 -7.1421 3.9870 3.9870 4.1838 4.1838 4.3083 4.3083 4.5476 4.5476 5.3817 5.3817 5.4656 5.4656 6.5887 6.5887 6.7680 6.7680 7.2583 7.2583 7.2787 7.2787 8.3334 8.3334 8.5111 8.5111 10.5038 10.5038 10.5180 10.5180 11.6916 11.6916 11.9114 11.9114 12.1135 12.1135 12.3402 12.3402 k = 0.4273 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9667 -54.9667 -54.8791 -54.8791 -29.4173 -29.4173 -29.3368 -29.3368 -28.6819 -28.6819 -28.5954 -28.5954 -28.4165 -28.4165 -28.2692 -28.2692 -8.1979 -8.1979 -7.8605 -7.8605 -7.4762 -7.4762 -7.1484 -7.1484 4.0115 4.0115 4.2063 4.2063 4.3065 4.3065 4.5492 4.5492 5.3901 5.3901 5.4675 5.4675 6.5515 6.5515 6.7276 6.7276 7.2774 7.2774 7.3035 7.3035 8.3366 8.3366 8.5086 8.5086 10.5164 10.5164 10.5301 10.5301 11.6895 11.6895 11.9018 11.9018 12.1138 12.1138 12.3377 12.3377 k = 0.4182 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9670 -54.9670 -54.8794 -54.8794 -29.4161 -29.4161 -29.3361 -29.3361 -28.6803 -28.6803 -28.5939 -28.5939 -28.4168 -28.4168 -28.2693 -28.2693 -8.1980 -8.1980 -7.8676 -7.8676 -7.4790 -7.4790 -7.1554 -7.1554 4.0390 4.0390 4.2313 4.2313 4.3050 4.3050 4.5513 4.5513 5.3990 5.3990 5.4690 5.4690 6.5135 6.5135 6.6874 6.6874 7.2948 7.2948 7.3261 7.3261 8.3407 8.3407 8.5064 8.5064 10.5302 10.5302 10.5434 10.5434 11.6871 11.6871 11.8911 11.8911 12.1142 12.1142 12.3348 12.3348 k = 0.4091 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9674 -54.9674 -54.8798 -54.8798 -29.4148 -29.4148 -29.3353 -29.3353 -28.6784 -28.6784 -28.5922 -28.5922 -28.4171 -28.4171 -28.2694 -28.2694 -8.1981 -8.1981 -7.8757 -7.8757 -7.4820 -7.4820 -7.1631 -7.1631 4.0694 4.0694 4.2579 4.2579 4.3048 4.3048 4.5540 4.5540 5.4081 5.4081 5.4700 5.4700 6.4753 6.4753 6.6476 6.6476 7.3103 7.3103 7.3463 7.3463 8.3461 8.3461 8.5048 8.5048 10.5451 10.5451 10.5577 10.5577 11.6844 11.6844 11.8794 11.8794 12.1147 12.1147 12.3316 12.3316 k = 0.4000 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9678 -54.9678 -54.8802 -54.8802 -29.4134 -29.4134 -29.3344 -29.3344 -28.6764 -28.6764 -28.5903 -28.5903 -28.4175 -28.4175 -28.2695 -28.2695 -8.1982 -8.1982 -7.8846 -7.8846 -7.4851 -7.4851 -7.1715 -7.1715 4.1024 4.1024 4.2823 4.2823 4.3097 4.3097 4.5574 4.5574 5.4172 5.4172 5.4702 5.4702 6.4373 6.4373 6.6084 6.6084 7.3235 7.3235 7.3638 7.3638 8.3527 8.3527 8.5039 8.5039 10.5609 10.5609 10.5731 10.5731 11.6813 11.6813 11.8666 11.8666 12.1153 12.1153 12.3281 12.3281 k = 0.3909 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9682 -54.9682 -54.8806 -54.8806 -29.4119 -29.4119 -29.3335 -29.3335 -28.6742 -28.6742 -28.5883 -28.5883 -28.4179 -28.4179 -28.2696 -28.2696 -8.1985 -8.1985 -7.8944 -7.8944 -7.4882 -7.4882 -7.1805 -7.1805 4.1380 4.1380 4.2926 4.2926 4.3316 4.3316 4.5617 4.5617 5.4258 5.4258 5.4696 5.4696 6.4000 6.4000 6.5699 6.5699 7.3344 7.3344 7.3785 7.3785 8.3607 8.3607 8.5040 8.5040 10.5775 10.5775 10.5892 10.5892 11.6780 11.6780 11.8529 11.8529 12.1160 12.1160 12.3242 12.3242 k = 0.3818 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9687 -54.9687 -54.8810 -54.8810 -29.4103 -29.4103 -29.3325 -29.3325 -28.6718 -28.6718 -28.5862 -28.5862 -28.4182 -28.4182 -28.2697 -28.2697 -8.1988 -8.1988 -7.9050 -7.9050 -7.4914 -7.4914 -7.1900 -7.1900 4.1759 4.1759 4.2947 4.2947 4.3645 4.3645 4.5671 4.5671 5.4336 5.4336 5.4682 5.4682 6.3636 6.3636 6.5323 6.5323 7.3429 7.3429 7.3901 7.3901 8.3701 8.3701 8.5053 8.5053 10.5947 10.5947 10.6060 10.6060 11.6743 11.6743 11.8384 11.8384 12.1168 12.1168 12.3199 12.3199 k = 0.3727 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9692 -54.9692 -54.8815 -54.8815 -29.4086 -29.4086 -29.3315 -29.3315 -28.6693 -28.6693 -28.5839 -28.5839 -28.4186 -28.4186 -28.2698 -28.2698 -8.1992 -8.1992 -7.9165 -7.9165 -7.4947 -7.4947 -7.2000 -7.2000 4.2158 4.2158 4.2958 4.2958 4.4013 4.4013 4.5737 4.5737 5.4392 5.4392 5.4669 5.4669 6.3286 6.3286 6.4959 6.4959 7.3489 7.3489 7.3987 7.3987 8.3809 8.3809 8.5078 8.5078 10.6123 10.6123 10.6233 10.6233 11.6703 11.6703 11.8232 11.8232 12.1176 12.1176 12.3152 12.3152 k = 0.3636 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9697 -54.9697 -54.8820 -54.8820 -29.4069 -29.4069 -29.3304 -29.3304 -28.6666 -28.6666 -28.5815 -28.5815 -28.4190 -28.4190 -28.2698 -28.2698 -8.1997 -8.1997 -7.9287 -7.9287 -7.4979 -7.4979 -7.2105 -7.2105 4.2573 4.2573 4.2973 4.2973 4.4403 4.4403 4.5818 4.5818 5.4407 5.4407 5.4672 5.4672 6.2952 6.2952 6.4608 6.4608 7.3525 7.3525 7.4041 7.4041 8.3930 8.3930 8.5118 8.5118 10.6302 10.6302 10.6410 10.6410 11.6661 11.6661 11.8073 11.8073 12.1185 12.1185 12.3101 12.3101 k = 0.3545 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9703 -54.9703 -54.8825 -54.8825 -29.4051 -29.4051 -29.3293 -29.3293 -28.6638 -28.6638 -28.5790 -28.5790 -28.4194 -28.4194 -28.2699 -28.2699 -8.2003 -8.2003 -7.9418 -7.9418 -7.5011 -7.5011 -7.2214 -7.2214 4.2976 4.2976 4.3017 4.3017 4.4812 4.4812 4.5917 4.5917 5.4368 5.4368 5.4702 5.4702 6.2638 6.2638 6.4273 6.4273 7.3538 7.3538 7.4064 7.4064 8.4065 8.4065 8.5171 8.5171 10.6480 10.6480 10.6590 10.6590 11.6617 11.6617 11.7910 11.7910 12.1194 12.1194 12.3045 12.3045 k = 0.3455 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9708 -54.9708 -54.8830 -54.8830 -29.4032 -29.4032 -29.3281 -29.3281 -28.6608 -28.6608 -28.5764 -28.5764 -28.4198 -28.4198 -28.2699 -28.2699 -8.2011 -8.2011 -7.9556 -7.9556 -7.5042 -7.5042 -7.2326 -7.2326 4.3021 4.3021 4.3434 4.3434 4.5236 4.5236 4.6039 4.6039 5.4285 5.4285 5.4747 5.4747 6.2345 6.2345 6.3955 6.3955 7.3529 7.3529 7.4055 7.4055 8.4211 8.4211 8.5240 8.5240 10.6657 10.6657 10.6769 10.6769 11.6571 11.6571 11.7743 11.7743 12.1203 12.1203 12.2985 12.2985 k = 0.3364 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9714 -54.9714 -54.8836 -54.8836 -29.4013 -29.4013 -29.3269 -29.3269 -28.6577 -28.6577 -28.5737 -28.5737 -28.4202 -28.4202 -28.2699 -28.2699 -8.2020 -8.2020 -7.9702 -7.9702 -7.5072 -7.5072 -7.2441 -7.2441 4.3061 4.3061 4.3862 4.3862 4.5671 4.5671 4.6191 4.6191 5.4172 5.4172 5.4792 5.4792 6.2074 6.2074 6.3658 6.3658 7.3500 7.3500 7.4017 7.4017 8.4366 8.4366 8.5322 8.5322 10.6831 10.6831 10.6948 10.6948 11.6523 11.6523 11.7574 11.7574 12.1211 12.1211 12.2921 12.2921 k = 0.3273 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9721 -54.9721 -54.8842 -54.8842 -29.3993 -29.3993 -29.3258 -29.3258 -28.6545 -28.6545 -28.5709 -28.5709 -28.4205 -28.4205 -28.2699 -28.2699 -8.2031 -8.2031 -7.9853 -7.9853 -7.5101 -7.5101 -7.2558 -7.2558 4.3111 4.3111 4.4275 4.4275 4.6112 4.6112 4.6381 4.6381 5.4036 5.4036 5.4832 5.4832 6.1828 6.1828 6.3382 6.3382 7.3452 7.3452 7.3949 7.3949 8.4531 8.4531 8.5418 8.5418 10.6998 10.6998 10.7124 10.7124 11.6475 11.6475 11.7405 11.7405 12.1218 12.1218 12.2852 12.2852 k = 0.3182 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9727 -54.9727 -54.8848 -54.8848 -29.3973 -29.3973 -29.3245 -29.3245 -28.6513 -28.6513 -28.5680 -28.5680 -28.4208 -28.4208 -28.2698 -28.2698 -8.2043 -8.2043 -8.0011 -8.0011 -7.5129 -7.5129 -7.2676 -7.2676 4.3173 4.3173 4.4658 4.4658 4.6554 4.6554 4.6621 4.6621 5.3882 5.3882 5.4865 5.4865 6.1606 6.1606 6.3129 6.3129 7.3387 7.3387 7.3853 7.3853 8.4702 8.4702 8.5526 8.5526 10.7159 10.7159 10.7296 10.7296 11.6427 11.6427 11.7238 11.7238 12.1224 12.1224 12.2778 12.2778 k = 0.3091 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9734 -54.9734 -54.8854 -54.8854 -29.3953 -29.3953 -29.3233 -29.3233 -28.6479 -28.6479 -28.5650 -28.5650 -28.4211 -28.4211 -28.2697 -28.2697 -8.2058 -8.2058 -8.0175 -8.0175 -7.5156 -7.5156 -7.2796 -7.2796 4.3247 4.3247 4.5001 4.5001 4.6905 4.6905 4.7004 4.7004 5.3715 5.3715 5.4891 5.4891 6.1409 6.1409 6.2903 6.2903 7.3307 7.3307 7.3732 7.3732 8.4878 8.4878 8.5644 8.5644 10.7310 10.7310 10.7462 10.7462 11.6380 11.6380 11.7074 11.7074 12.1227 12.1227 12.2699 12.2699 k = 0.3000 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9740 -54.9740 -54.8861 -54.8861 -29.3933 -29.3933 -29.3221 -29.3221 -28.6444 -28.6444 -28.5621 -28.5621 -28.4213 -28.4213 -28.2695 -28.2695 -8.2074 -8.2074 -8.0343 -8.0343 -7.5182 -7.5182 -7.2916 -7.2916 4.3334 4.3334 4.5296 4.5296 4.7251 4.7251 4.7437 4.7437 5.3543 5.3543 5.4914 5.4914 6.1235 6.1235 6.2704 6.2704 7.3213 7.3213 7.3587 7.3587 8.5058 8.5058 8.5772 8.5772 10.7450 10.7450 10.7619 10.7619 11.6335 11.6335 11.6916 11.6916 12.1227 12.1227 12.2616 12.2616 k = 0.2909 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9747 -54.9747 -54.8867 -54.8867 -29.3912 -29.3912 -29.3209 -29.3209 -28.6409 -28.6409 -28.5590 -28.5590 -28.4215 -28.4215 -28.2693 -28.2693 -8.2093 -8.2093 -8.0515 -8.0515 -7.5206 -7.5206 -7.3036 -7.3036 4.3433 4.3433 4.5548 4.5548 4.7638 4.7638 4.7857 4.7857 5.3376 5.3376 5.4934 5.4934 6.1085 6.1085 6.2534 6.2534 7.3107 7.3107 7.3421 7.3421 8.5239 8.5239 8.5908 8.5908 10.7576 10.7576 10.7767 10.7767 11.6292 11.6292 11.6765 11.6765 12.1225 12.1225 12.2529 12.2529 k = 0.2818 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9754 -54.9754 -54.8874 -54.8874 -29.3892 -29.3892 -29.3197 -29.3197 -28.6374 -28.6374 -28.5560 -28.5560 -28.4216 -28.4216 -28.2690 -28.2690 -8.2114 -8.2114 -8.0692 -8.0692 -7.5229 -7.5229 -7.3156 -7.3156 4.3546 4.3546 4.5763 4.5763 4.8044 4.8044 4.8256 4.8256 5.3226 5.3226 5.4958 5.4958 6.0958 6.0958 6.2393 6.2393 7.2989 7.2989 7.3235 7.3235 8.5420 8.5420 8.6049 8.6049 10.7688 10.7688 10.7904 10.7904 11.6254 11.6254 11.6624 11.6624 12.1219 12.1219 12.2437 12.2437 k = 0.2727 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9761 -54.9761 -54.8880 -54.8880 -29.3872 -29.3872 -29.3185 -29.3185 -28.6338 -28.6338 -28.5530 -28.5530 -28.4217 -28.4217 -28.2687 -28.2687 -8.2137 -8.2137 -8.0871 -8.0871 -7.5251 -7.5251 -7.3274 -7.3274 4.3672 4.3672 4.5952 4.5952 4.8445 4.8445 4.8624 4.8624 5.3110 5.3110 5.4991 5.4991 6.0853 6.0853 6.2284 6.2284 7.2862 7.2862 7.3033 7.3033 8.5600 8.5600 8.6195 8.6195 10.7783 10.7783 10.8027 10.8027 11.6221 11.6221 11.6494 11.6494 12.1208 12.1208 12.2341 12.2341 k = 0.2636 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9768 -54.9768 -54.8887 -54.8887 -29.3852 -29.3852 -29.3173 -29.3173 -28.6302 -28.6302 -28.5499 -28.5499 -28.4217 -28.4217 -28.2683 -28.2683 -8.2163 -8.2163 -8.1052 -8.1052 -7.5271 -7.5271 -7.3390 -7.3390 4.3811 4.3811 4.6119 4.6119 4.8814 4.8814 4.8953 4.8953 5.3048 5.3048 5.5038 5.5038 6.0771 6.0771 6.2205 6.2205 7.2725 7.2725 7.2818 7.2818 8.5777 8.5777 8.6342 8.6342 10.7858 10.7858 10.8135 10.8135 11.6193 11.6193 11.6378 11.6378 12.1194 12.1194 12.2242 12.2242 k = 0.2545 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9775 -54.9775 -54.8894 -54.8894 -29.3832 -29.3832 -29.3161 -29.3161 -28.6266 -28.6266 -28.5469 -28.5469 -28.4216 -28.4216 -28.2679 -28.2679 -8.2191 -8.2191 -8.1235 -8.1235 -7.5291 -7.5291 -7.3505 -7.3505 4.3963 4.3963 4.6267 4.6267 4.9124 4.9124 4.9237 4.9237 5.3062 5.3062 5.5105 5.5105 6.0711 6.0711 6.2158 6.2158 7.2574 7.2574 7.2597 7.2597 8.5949 8.5949 8.6490 8.6490 10.7914 10.7914 10.8228 10.8228 11.6173 11.6173 11.6277 11.6277 12.1175 12.1175 12.2140 12.2140 k = 0.2455 0.3217-0.0101 ( 2290 PWs) bands (ev): -54.9783 -54.9783 -54.8900 -54.8900 -29.3812 -29.3812 -29.3150 -29.3150 -28.6230 -28.6230 -28.5439 -28.5439 -28.4214 -28.4214 -28.2674 -28.2674 -8.2221 -8.2221 -8.1418 -8.1418 -7.5309 -7.5309 -7.3617 -7.3617 4.4127 4.4127 4.6395 4.6395 4.9356 4.9356 4.9469 4.9469 5.3170 5.3170 5.5196 5.5196 6.0677 6.0677 6.2143 6.2143 7.2352 7.2352 7.2431 7.2431 8.6116 8.6116 8.6636 8.6636 10.7947 10.7947 10.8302 10.8302 11.6159 11.6159 11.6195 11.6195 12.1151 12.1151 12.2034 12.2034 k = 0.2364 0.3217-0.0101 ( 2284 PWs) bands (ev): -54.9790 -54.9790 -54.8907 -54.8907 -29.3793 -29.3793 -29.3139 -29.3139 -28.6195 -28.6195 -28.5410 -28.5410 -28.4212 -28.4212 -28.2668 -28.2668 -8.2253 -8.2253 -8.1602 -8.1602 -7.5326 -7.5326 -7.3726 -7.3726 4.4304 4.4304 4.6498 4.6498 4.9509 4.9509 4.9645 4.9645 5.3375 5.3375 5.5312 5.5312 6.0669 6.0669 6.2158 6.2158 7.2113 7.2113 7.2272 7.2272 8.6276 8.6276 8.6780 8.6780 10.7958 10.7958 10.8359 10.8359 11.6122 11.6122 11.6163 11.6163 12.1123 12.1123 12.1927 12.1927 k = 0.2273 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9797 -54.9797 -54.8914 -54.8914 -29.3775 -29.3775 -29.3128 -29.3128 -28.6160 -28.6160 -28.5381 -28.5381 -28.4208 -28.4208 -28.2662 -28.2662 -8.2288 -8.2288 -8.1785 -8.1785 -7.5342 -7.5342 -7.3831 -7.3831 4.4492 4.4492 4.6572 4.6572 4.9599 4.9599 4.9766 4.9766 5.3661 5.3661 5.5451 5.5451 6.0692 6.0692 6.2204 6.2204 7.1874 7.1874 7.2108 7.2108 8.6429 8.6429 8.6919 8.6919 10.7946 10.7946 10.8397 10.8397 11.6077 11.6077 11.6168 11.6168 12.1091 12.1091 12.1819 12.1819 k = 0.2182 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9804 -54.9804 -54.8920 -54.8920 -29.3757 -29.3757 -29.3118 -29.3118 -28.6126 -28.6126 -28.5353 -28.5353 -28.4204 -28.4204 -28.2655 -28.2655 -8.2324 -8.2324 -8.1967 -8.1967 -7.5358 -7.5358 -7.3933 -7.3933 4.4691 4.4691 4.6609 4.6609 4.9655 4.9655 4.9834 4.9834 5.4002 5.4002 5.5608 5.5608 6.0749 6.0749 6.2278 6.2278 7.1638 7.1638 7.1939 7.1939 8.6573 8.6573 8.7053 8.7053 10.7911 10.7911 10.8416 10.8416 11.6049 11.6049 11.6184 11.6184 12.1055 12.1055 12.1709 12.1709 k = 0.2091 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9811 -54.9811 -54.8927 -54.8927 -29.3739 -29.3739 -29.3107 -29.3107 -28.6093 -28.6093 -28.5326 -28.5326 -28.4199 -28.4199 -28.2648 -28.2648 -8.2363 -8.2363 -8.2147 -8.2147 -7.5372 -7.5372 -7.4031 -7.4031 4.4899 4.4899 4.6603 4.6603 4.9703 4.9703 4.9857 4.9857 5.4369 5.4369 5.5776 5.5776 6.0845 6.0845 6.2376 6.2376 7.1412 7.1412 7.1767 7.1767 8.6707 8.6707 8.7180 8.7180 10.7853 10.7853 10.8415 10.8415 11.6039 11.6039 11.6210 11.6210 12.1015 12.1015 12.1599 12.1599 k = 0.2000 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9818 -54.9818 -54.8933 -54.8933 -29.3722 -29.3722 -29.3098 -29.3098 -28.6061 -28.6061 -28.5300 -28.5300 -28.4192 -28.4192 -28.2640 -28.2640 -8.2404 -8.2404 -8.2323 -8.2323 -7.5385 -7.5385 -7.4125 -7.4125 4.5114 4.5114 4.6552 4.6552 4.9762 4.9762 4.9848 4.9848 5.4738 5.4738 5.5945 5.5945 6.0984 6.0984 6.2493 6.2493 7.1202 7.1202 7.1592 7.1592 8.6831 8.6831 8.7299 8.7299 10.7773 10.7773 10.8395 10.8395 11.6048 11.6048 11.6247 11.6247 12.0971 12.0971 12.1489 12.1489 k = 0.1909 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9824 -54.9824 -54.8940 -54.8940 -29.3705 -29.3705 -29.3088 -29.3088 -28.6030 -28.6030 -28.5274 -28.5274 -28.4185 -28.4185 -28.2632 -28.2632 -8.2502 -8.2502 -8.2441 -8.2441 -7.5398 -7.5398 -7.4215 -7.4215 4.5334 4.5334 4.6456 4.6456 4.9786 4.9786 4.9874 4.9874 5.5089 5.5089 5.6110 5.6110 6.1170 6.1170 6.2621 6.2621 7.1016 7.1016 7.1417 7.1417 8.6944 8.6944 8.7408 8.7408 10.7672 10.7672 10.8356 10.8356 11.6074 11.6074 11.6293 11.6293 12.0924 12.0924 12.1380 12.1380 k = 0.1818 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9831 -54.9831 -54.8946 -54.8946 -29.3690 -29.3690 -29.3079 -29.3079 -28.6000 -28.6000 -28.5250 -28.5250 -28.4177 -28.4177 -28.2623 -28.2623 -8.2670 -8.2670 -8.2485 -8.2485 -7.5410 -7.5410 -7.4300 -7.4300 4.5556 4.5556 4.6322 4.6322 4.9736 4.9736 4.9986 4.9986 5.5408 5.5408 5.6264 5.6264 6.1403 6.1403 6.2749 6.2749 7.0863 7.0863 7.1244 7.1244 8.7045 8.7045 8.7508 8.7508 10.7553 10.7553 10.8300 10.8300 11.6116 11.6116 11.6349 11.6349 12.0875 12.0875 12.1272 12.1272 k = 0.1727 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9837 -54.9837 -54.8952 -54.8952 -29.3675 -29.3675 -29.3071 -29.3071 -28.5971 -28.5971 -28.5226 -28.5226 -28.4169 -28.4169 -28.2613 -28.2613 -8.2836 -8.2836 -8.2529 -8.2529 -7.5420 -7.5420 -7.4380 -7.4380 4.5775 4.5775 4.6157 4.6157 4.9675 4.9675 5.0133 5.0133 5.5689 5.5689 5.6403 5.6403 6.1681 6.1681 6.2865 6.2865 7.0752 7.0752 7.1076 7.1076 8.7134 8.7134 8.7597 8.7597 10.7418 10.7418 10.8228 10.8228 11.6172 11.6172 11.6413 11.6413 12.0822 12.0822 12.1167 12.1167 k = 0.1636 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9843 -54.9843 -54.8958 -54.8958 -29.3660 -29.3660 -29.3063 -29.3063 -28.5944 -28.5944 -28.5204 -28.5204 -28.4159 -28.4159 -28.2604 -28.2604 -8.2997 -8.2997 -8.2573 -8.2573 -7.5431 -7.5431 -7.4456 -7.4456 4.5956 4.5956 4.6000 4.6000 4.9616 4.9616 5.0305 5.0305 5.5930 5.5930 5.6526 5.6526 6.1997 6.1997 6.2957 6.2957 7.0693 7.0693 7.0917 7.0917 8.7211 8.7211 8.7674 8.7674 10.7268 10.7268 10.8142 10.8142 11.6241 11.6241 11.6484 11.6484 12.0767 12.0767 12.1064 12.1064 k = 0.1545 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9849 -54.9849 -54.8963 -54.8963 -29.3646 -29.3646 -29.3055 -29.3055 -28.5918 -28.5918 -28.5183 -28.5183 -28.4149 -28.4149 -28.2594 -28.2594 -8.3153 -8.3153 -8.2618 -8.2618 -7.5440 -7.5440 -7.4527 -7.4527 4.5764 4.5764 4.6188 4.6188 4.9572 4.9572 5.0495 5.0495 5.6131 5.6131 5.6632 5.6632 6.2338 6.2338 6.3011 6.3011 7.0690 7.0690 7.0773 7.0773 8.7274 8.7274 8.7738 8.7738 10.7106 10.7106 10.8042 10.8042 11.6320 11.6320 11.6561 11.6561 12.0709 12.0709 12.0966 12.0966 k = 0.1455 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9855 -54.9855 -54.8969 -54.8969 -29.3633 -29.3633 -29.3048 -29.3048 -28.5894 -28.5894 -28.5163 -28.5163 -28.4139 -28.4139 -28.2584 -28.2584 -8.3302 -8.3302 -8.2662 -8.2662 -7.5449 -7.5449 -7.4594 -7.4594 4.5553 4.5553 4.6364 4.6364 4.9553 4.9553 5.0698 5.0698 5.6299 5.6299 5.6723 5.6723 6.2689 6.2689 6.3020 6.3020 7.0635 7.0635 7.0765 7.0765 8.7324 8.7324 8.7791 8.7791 10.6935 10.6935 10.7932 10.7932 11.6408 11.6408 11.6644 11.6644 12.0647 12.0647 12.0872 12.0872 k = 0.1364 0.3217-0.0101 ( 2286 PWs) bands (ev): -54.9861 -54.9861 -54.8974 -54.8974 -29.3621 -29.3621 -29.3041 -29.3041 -28.5872 -28.5872 -28.5145 -28.5145 -28.4128 -28.4128 -28.2573 -28.2573 -8.3445 -8.3445 -8.2706 -8.2706 -7.5457 -7.5457 -7.4656 -7.4656 4.5339 4.5339 4.6512 4.6512 4.9569 4.9569 5.0910 5.0910 5.6441 5.6441 5.6800 5.6800 6.2927 6.2927 6.3085 6.3085 7.0534 7.0534 7.0895 7.0895 8.7361 8.7361 8.7830 8.7830 10.6757 10.6757 10.7813 10.7813 11.6502 11.6502 11.6730 11.6730 12.0582 12.0582 12.0785 12.0785 k = 0.1273 0.3217-0.0101 ( 2290 PWs) bands (ev): -54.9866 -54.9866 -54.8979 -54.8979 -29.3610 -29.3610 -29.3035 -29.3035 -28.5851 -28.5851 -28.5127 -28.5127 -28.4117 -28.4117 -28.2563 -28.2563 -8.3581 -8.3581 -8.2750 -8.2750 -7.5465 -7.5465 -7.4713 -7.4713 4.5126 4.5126 4.6623 4.6623 4.9629 4.9629 5.1124 5.1124 5.6562 5.6562 5.6865 5.6865 6.2841 6.2841 6.3398 6.3398 7.0462 7.0462 7.1089 7.1089 8.7385 8.7385 8.7856 8.7856 10.6576 10.6576 10.7687 10.7687 11.6603 11.6603 11.6819 11.6819 12.0513 12.0513 12.0705 12.0705 k = 0.1182 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9871 -54.9871 -54.8984 -54.8984 -29.3599 -29.3599 -29.3029 -29.3029 -28.5832 -28.5832 -28.5111 -28.5111 -28.4106 -28.4106 -28.2553 -28.2553 -8.3710 -8.3710 -8.2792 -8.2792 -7.5472 -7.5472 -7.4766 -7.4766 4.4918 4.4918 4.6696 4.6696 4.9735 4.9735 5.1338 5.1338 5.6669 5.6669 5.6922 5.6922 6.2682 6.2682 6.3698 6.3698 7.0430 7.0430 7.1337 7.1337 8.7396 8.7396 8.7869 8.7869 10.6393 10.6393 10.7557 10.7557 11.6706 11.6706 11.6909 11.6909 12.0440 12.0440 12.0632 12.0632 k = 0.1091 0.3217-0.0101 ( 2288 PWs) bands (ev): -54.9876 -54.9876 -54.8988 -54.8988 -29.3589 -29.3589 -29.3023 -29.3023 -28.5815 -28.5815 -28.5096 -28.5096 -28.4094 -28.4094 -28.2543 -28.2543 -8.3831 -8.3831 -8.2832 -8.2832 -7.5479 -7.5479 -7.4814 -7.4814 4.4718 4.4718 4.6732 4.6732 4.9887 4.9887 5.1548 5.1548 5.6767 5.6767 5.6972 5.6972 6.2472 6.2472 6.3953 6.3953 7.0443 7.0443 7.1630 7.1630 8.7395 8.7395 8.7870 8.7870 10.6211 10.6211 10.7424 10.7424 11.6811 11.6811 11.7000 11.7000 12.0365 12.0365 12.0566 12.0566 k = 0.1000 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9880 -54.9880 -54.8992 -54.8992 -29.3580 -29.3580 -29.3019 -29.3019 -28.5799 -28.5799 -28.5083 -28.5083 -28.4083 -28.4083 -28.2534 -28.2534 -8.3943 -8.3943 -8.2871 -8.2871 -7.5485 -7.5485 -7.4858 -7.4858 4.4528 4.4528 4.6736 4.6736 5.0079 5.0079 5.1749 5.1749 5.6862 5.6862 5.7018 5.7018 6.2221 6.2221 6.4153 6.4153 7.0505 7.0505 7.1955 7.1955 8.7383 8.7383 8.7860 8.7860 10.6033 10.6033 10.7292 10.7292 11.6916 11.6916 11.7090 11.7090 12.0289 12.0289 12.0506 12.0506 k = 0.0909 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9884 -54.9884 -54.8996 -54.8996 -29.3572 -29.3572 -29.3014 -29.3014 -28.5784 -28.5784 -28.5070 -28.5070 -28.4073 -28.4073 -28.2524 -28.2524 -8.4047 -8.4047 -8.2908 -8.2908 -7.5490 -7.5490 -7.4898 -7.4898 4.4350 4.4350 4.6715 4.6715 5.0300 5.0300 5.1940 5.1940 5.6955 5.6955 5.7064 5.7064 6.1938 6.1938 6.4292 6.4292 7.0615 7.0615 7.2299 7.2299 8.7360 8.7360 8.7838 8.7838 10.5861 10.5861 10.7163 10.7163 11.7020 11.7020 11.7177 11.7177 12.0214 12.0214 12.0450 12.0450 k = 0.0818 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9888 -54.9888 -54.8999 -54.8999 -29.3564 -29.3564 -29.3010 -29.3010 -28.5772 -28.5772 -28.5059 -28.5059 -28.4063 -28.4063 -28.2516 -28.2516 -8.4142 -8.4142 -8.2943 -8.2943 -7.5495 -7.5495 -7.4933 -7.4933 4.4185 4.4185 4.6678 4.6678 5.0542 5.0542 5.2116 5.2116 5.7049 5.7049 5.7112 5.7112 6.1631 6.1631 6.4373 6.4373 7.0766 7.0766 7.2650 7.2650 8.7330 8.7330 8.7808 8.7808 10.5697 10.5697 10.7038 10.7038 11.7121 11.7121 11.7261 11.7261 12.0142 12.0142 12.0399 12.0399 k = 0.0727 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9891 -54.9891 -54.9002 -54.9002 -29.3558 -29.3558 -29.3006 -29.3006 -28.5760 -28.5760 -28.5049 -28.5049 -28.4053 -28.4053 -28.2508 -28.2508 -8.4228 -8.4228 -8.2974 -8.2974 -7.5499 -7.5499 -7.4965 -7.4965 4.4035 4.4035 4.6632 4.6632 5.0794 5.0794 5.2276 5.2276 5.7140 5.7140 5.7169 5.7169 6.1308 6.1308 6.4402 6.4402 7.0949 7.0949 7.2998 7.2998 8.7293 8.7293 8.7770 8.7770 10.5544 10.5544 10.6920 10.6920 11.7217 11.7217 11.7340 11.7340 12.0072 12.0072 12.0352 12.0352 k = 0.0636 0.3217-0.0101 ( 2278 PWs) bands (ev): -54.9894 -54.9894 -54.9005 -54.9005 -29.3552 -29.3552 -29.3003 -29.3003 -28.5751 -28.5751 -28.5040 -28.5040 -28.4044 -28.4044 -28.2500 -28.2500 -8.4305 -8.4305 -8.3003 -8.3003 -7.5503 -7.5503 -7.4992 -7.4992 4.3900 4.3900 4.6581 4.6581 5.1047 5.1047 5.2419 5.2419 5.7211 5.7211 5.7253 5.7253 6.0977 6.0977 6.4389 6.4389 7.1151 7.1151 7.3333 7.3333 8.7252 8.7252 8.7727 8.7727 10.5404 10.5404 10.6811 10.6811 11.7307 11.7307 11.7414 11.7414 12.0008 12.0008 12.0310 12.0310 k = 0.0545 0.3217-0.0101 ( 2278 PWs) bands (ev): -54.9896 -54.9896 -54.9007 -54.9007 -29.3547 -29.3547 -29.3000 -29.3000 -28.5742 -28.5742 -28.5032 -28.5032 -28.4037 -28.4037 -28.2494 -28.2494 -8.4371 -8.4371 -8.3028 -8.3028 -7.5506 -7.5506 -7.5016 -7.5016 4.3782 4.3782 4.6530 4.6530 5.1291 5.1291 5.2542 5.2542 5.7278 5.7278 5.7349 5.7349 6.0646 6.0646 6.4346 6.4346 7.1358 7.1358 7.3643 7.3643 8.7208 8.7208 8.7681 8.7681 10.5278 10.5278 10.6712 10.6712 11.7391 11.7391 11.7480 11.7480 11.9948 11.9948 12.0271 12.0271 k = 0.0455 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9899 -54.9899 -54.9010 -54.9010 -29.3542 -29.3542 -29.2998 -29.2998 -28.5735 -28.5735 -28.5026 -28.5026 -28.4030 -28.4030 -28.2488 -28.2488 -8.4428 -8.4428 -8.3050 -8.3050 -7.5509 -7.5509 -7.5036 -7.5036 4.3681 4.3681 4.6482 4.6482 5.1518 5.1518 5.2646 5.2646 5.7354 5.7354 5.7442 5.7442 6.0324 6.0324 6.4285 6.4285 7.1558 7.1558 7.3923 7.3923 8.7166 8.7166 8.7635 8.7635 10.5168 10.5168 10.6626 10.6626 11.7465 11.7465 11.7538 11.7538 11.9896 11.9896 12.0238 12.0238 k = 0.0364 0.3217-0.0101 ( 2280 PWs) bands (ev): -54.9900 -54.9900 -54.9011 -54.9011 -29.3539 -29.3539 -29.2996 -29.2996 -28.5729 -28.5729 -28.5021 -28.5021 -28.4024 -28.4024 -28.2483 -28.2483 -8.4475 -8.4475 -8.3068 -8.3068 -7.5511 -7.5511 -7.5052 -7.5052 4.3598 4.3598 4.6440 4.6440 5.1720 5.1720 5.2731 5.2731 5.7438 5.7438 5.7527 5.7527 6.0021 6.0021 6.4217 6.4217 7.1737 7.1737 7.4162 7.4162 8.7126 8.7126 8.7592 8.7592 10.5077 10.5077 10.6553 10.6553 11.7528 11.7528 11.7587 11.7587 11.9850 11.9850 12.0209 12.0209 k = 0.0273 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9902 -54.9902 -54.9013 -54.9013 -29.3536 -29.3536 -29.2994 -29.2994 -28.5725 -28.5725 -28.5017 -28.5017 -28.4019 -28.4019 -28.2480 -28.2480 -8.4511 -8.4511 -8.3082 -8.3082 -7.5512 -7.5512 -7.5064 -7.5064 4.3532 4.3532 4.6406 4.6406 5.1887 5.1887 5.2796 5.2796 5.7527 5.7527 5.7601 5.7601 5.9749 5.9749 6.4153 6.4153 7.1887 7.1887 7.4356 7.4356 8.7092 8.7092 8.7556 8.7556 10.5004 10.5004 10.6495 10.6495 11.7580 11.7580 11.7626 11.7626 11.9814 11.9814 12.0186 12.0186 k = 0.0182 0.3217-0.0101 ( 2282 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3534 -29.3534 -29.2993 -29.2993 -28.5722 -28.5722 -28.5014 -28.5014 -28.4016 -28.4016 -28.2477 -28.2477 -8.4537 -8.4537 -8.3092 -8.3092 -7.5514 -7.5514 -7.5073 -7.5073 4.3485 4.3485 4.6381 4.6381 5.2012 5.2012 5.2842 5.2842 5.7611 5.7611 5.7659 5.7659 5.9527 5.9527 6.4100 6.4100 7.2000 7.2000 7.4499 7.4499 8.7066 8.7066 8.7527 8.7527 10.4951 10.4951 10.6452 10.6452 11.7619 11.7619 11.7654 11.7654 11.9787 11.9787 12.0170 12.0170 k = 0.0091 0.3217-0.0101 ( 2276 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5720 -28.5720 -28.5012 -28.5012 -28.4014 -28.4014 -28.2475 -28.2475 -8.4553 -8.4553 -8.3099 -8.3099 -7.5514 -7.5514 -7.5078 -7.5078 4.3457 4.3457 4.6366 4.6366 5.2090 5.2090 5.2870 5.2870 5.7670 5.7670 5.7701 5.7701 5.9377 5.9377 6.4066 6.4066 7.2070 7.2070 7.4586 7.4586 8.7050 8.7050 8.7509 8.7509 10.4919 10.4919 10.6427 10.6427 11.7644 11.7644 11.7670 11.7670 11.9770 11.9770 12.0160 12.0160 k = 0.0000 0.3217-0.0101 ( 2274 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3532 -29.3532 -29.2993 -29.2993 -28.5719 -28.5719 -28.5011 -28.5011 -28.4014 -28.4014 -28.2475 -28.2475 -8.4558 -8.4558 -8.3101 -8.3101 -7.5515 -7.5515 -7.5080 -7.5080 4.3448 4.3448 4.6361 4.6361 5.2116 5.2116 5.2879 5.2879 5.7689 5.7689 5.7719 5.7719 5.9323 5.9323 6.4054 6.4054 7.2094 7.2094 7.4616 7.4616 8.7044 8.7044 8.7503 8.7503 10.4909 10.4909 10.6418 10.6418 11.7652 11.7652 11.7676 11.7676 11.9764 11.9764 12.0156 12.0156 k = 0.0000 0.3217-0.0101 ( 2274 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3532 -29.3532 -29.2993 -29.2993 -28.5719 -28.5719 -28.5011 -28.5011 -28.4014 -28.4014 -28.2475 -28.2475 -8.4558 -8.4558 -8.3101 -8.3101 -7.5515 -7.5515 -7.5080 -7.5080 4.3448 4.3448 4.6361 4.6361 5.2116 5.2116 5.2879 5.2879 5.7689 5.7689 5.7719 5.7719 5.9323 5.9323 6.4054 6.4054 7.2094 7.2094 7.4616 7.4616 8.7044 8.7044 8.7503 8.7503 10.4909 10.4909 10.6418 10.6418 11.7652 11.7652 11.7676 11.7676 11.9764 11.9764 12.0156 12.0156 k = 0.0000 0.3220-0.0008 ( 2276 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3532 -29.3532 -29.2993 -29.2993 -28.5719 -28.5719 -28.5011 -28.5011 -28.4013 -28.4013 -28.2475 -28.2475 -8.4562 -8.4562 -8.3096 -8.3096 -7.5519 -7.5519 -7.5076 -7.5076 4.3396 4.3396 4.6312 4.6312 5.2157 5.2157 5.2918 5.2918 5.7692 5.7692 5.7733 5.7733 5.9364 5.9364 6.4048 6.4048 7.2099 7.2099 7.4636 7.4636 8.7013 8.7013 8.7483 8.7483 10.4901 10.4901 10.6410 10.6410 11.7627 11.7627 11.7655 11.7655 11.9776 11.9776 12.0169 12.0169 k = 0.0000 0.3223 0.0084 ( 2275 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5720 -28.5720 -28.5012 -28.5012 -28.4013 -28.4013 -28.2475 -28.2475 -8.4575 -8.4575 -8.3081 -8.3081 -7.5531 -7.5531 -7.5063 -7.5063 4.3243 4.3243 4.6171 4.6171 5.2276 5.2276 5.3030 5.3030 5.7674 5.7674 5.7804 5.7804 5.9487 5.9487 6.4031 6.4031 7.2116 7.2116 7.4699 7.4699 8.6920 8.6920 8.7424 8.7424 10.4877 10.4877 10.6384 10.6384 11.7552 11.7552 11.7593 11.7593 11.9811 11.9811 12.0205 12.0205 k = 0.0000 0.3225 0.0176 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5720 -28.5720 -28.5013 -28.5013 -28.4012 -28.4012 -28.2474 -28.2474 -8.4595 -8.4595 -8.3058 -8.3058 -7.5550 -7.5550 -7.5042 -7.5042 4.3002 4.3002 4.5948 4.5948 5.2463 5.2463 5.3207 5.3207 5.7636 5.7636 5.7930 5.7930 5.9689 5.9689 6.4003 6.4003 7.2146 7.2146 7.4800 7.4800 8.6768 8.6768 8.7323 8.7323 10.4836 10.4836 10.6341 10.6341 11.7431 11.7431 11.7490 11.7490 11.9868 11.9868 12.0266 12.0266 k = 0.0000 0.3228 0.0268 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5720 -28.5720 -28.5014 -28.5014 -28.4011 -28.4011 -28.2474 -28.2474 -8.4623 -8.4623 -8.3025 -8.3025 -7.5574 -7.5574 -7.5016 -7.5016 4.2686 4.2686 4.5655 4.5655 5.2703 5.2703 5.3435 5.3435 5.7584 5.7584 5.8112 5.8112 5.9964 5.9964 6.3963 6.3963 7.2190 7.2190 7.4937 7.4937 8.6560 8.6560 8.7178 8.7178 10.4779 10.4779 10.6282 10.6282 11.7265 11.7265 11.7347 11.7347 11.9947 11.9947 12.0350 12.0350 k = 0.0000 0.3231 0.0360 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3534 -29.3534 -29.2994 -29.2994 -28.5720 -28.5720 -28.5015 -28.5015 -28.4009 -28.4009 -28.2474 -28.2474 -8.4656 -8.4656 -8.2986 -8.2986 -7.5602 -7.5602 -7.4986 -7.4986 4.2311 4.2311 4.5309 4.5309 5.2982 5.2982 5.3701 5.3701 5.7519 5.7519 5.8350 5.8350 6.0306 6.0306 6.3913 6.3913 7.2250 7.2250 7.5108 7.5108 8.6302 8.6302 8.6991 8.6991 10.4706 10.4706 10.6206 10.6206 11.7057 11.7057 11.7166 11.7166 12.0046 12.0046 12.0455 12.0455 k = 0.0000 0.3234 0.0452 ( 2277 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3535 -29.3535 -29.2994 -29.2994 -28.5720 -28.5720 -28.5016 -28.5016 -28.4007 -28.4007 -28.2473 -28.2473 -8.4695 -8.4695 -8.2940 -8.2940 -7.5633 -7.5633 -7.4952 -7.4952 4.1892 4.1892 4.4923 4.4923 5.3288 5.3288 5.3997 5.3997 5.7441 5.7441 5.8646 5.8646 6.0709 6.0709 6.3852 6.3852 7.2328 7.2328 7.5307 7.5307 8.5996 8.5996 8.6760 8.6760 10.4616 10.4616 10.6113 10.6113 11.6810 11.6810 11.6949 11.6949 12.0164 12.0164 12.0581 12.0581 k = 0.0000 0.3237 0.0544 ( 2275 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3536 -29.3536 -29.2994 -29.2994 -28.5720 -28.5720 -28.5018 -28.5018 -28.4005 -28.4005 -28.2472 -28.2472 -8.4738 -8.4738 -8.2889 -8.2889 -7.5665 -7.5665 -7.4916 -7.4916 4.1441 4.1441 4.4508 4.4508 5.3610 5.3610 5.4311 5.4311 5.7352 5.7352 5.9000 5.9000 6.1165 6.1165 6.3781 6.3781 7.2426 7.2426 7.5531 7.5531 8.5646 8.5646 8.6488 8.6488 10.4509 10.4509 10.6005 10.6005 11.6529 11.6529 11.6700 11.6700 12.0299 12.0299 12.0724 12.0724 k = 0.0000 0.3240 0.0637 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3536 -29.3536 -29.2995 -29.2995 -28.5720 -28.5720 -28.5020 -28.5020 -28.4002 -28.4002 -28.2472 -28.2472 -8.4784 -8.4784 -8.2833 -8.2833 -7.5699 -7.5699 -7.4879 -7.4879 4.0967 4.0967 4.4074 4.4074 5.3943 5.3943 5.4639 5.4639 5.7254 5.7254 5.9408 5.9408 6.1666 6.1666 6.3701 6.3701 7.2543 7.2543 7.5777 7.5777 8.5255 8.5255 8.6175 8.6175 10.4384 10.4384 10.5882 10.5882 11.6217 11.6217 11.6421 11.6421 12.0449 12.0449 12.0884 12.0884 k = 0.0000 0.3243 0.0729 ( 2277 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3537 -29.3537 -29.2996 -29.2996 -28.5721 -28.5721 -28.5022 -28.5022 -28.3999 -28.3999 -28.2471 -28.2471 -8.4833 -8.4833 -8.2773 -8.2773 -7.5734 -7.5734 -7.4840 -7.4840 4.0480 4.0480 4.3629 4.3629 5.4286 5.4286 5.4976 5.4976 5.7148 5.7148 5.9867 5.9867 6.2207 6.2207 6.3613 6.3613 7.2680 7.2680 7.6042 7.6042 8.4827 8.4827 8.5825 8.5825 10.4242 10.4242 10.5743 10.5743 11.5878 11.5878 11.6117 11.6117 12.0612 12.0612 12.1058 12.1058 k = 0.0000 0.3246 0.0821 ( 2272 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3539 -29.3539 -29.2996 -29.2996 -28.5721 -28.5721 -28.5024 -28.5024 -28.3996 -28.3996 -28.2470 -28.2470 -8.4883 -8.4883 -8.2711 -8.2711 -7.5770 -7.5770 -7.4801 -7.4801 3.9987 3.9987 4.3178 4.3178 5.4637 5.4637 5.5319 5.5319 5.7035 5.7035 6.0371 6.0371 6.2779 6.2779 6.3518 6.3518 7.2837 7.2837 7.6323 7.6323 8.4365 8.4365 8.5440 8.5440 10.4082 10.4082 10.5590 10.5590 11.5517 11.5517 11.5789 11.5789 12.0786 12.0786 12.1243 12.1243 k = 0.0000 0.3248 0.0913 ( 2272 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3540 -29.3540 -29.2997 -29.2997 -28.5721 -28.5721 -28.5027 -28.5027 -28.3993 -28.3993 -28.2469 -28.2469 -8.4935 -8.4935 -8.2645 -8.2645 -7.5805 -7.5805 -7.4761 -7.4761 3.9491 3.9491 4.2727 4.2727 5.4996 5.4996 5.5668 5.5668 5.6917 5.6917 6.0913 6.0913 6.3362 6.3362 6.3430 6.3430 7.3011 7.3011 7.6616 7.6616 8.3873 8.3873 8.5022 8.5022 10.3905 10.3905 10.5423 10.5423 11.5137 11.5137 11.5441 11.5441 12.0969 12.0969 12.1438 12.1438 k = 0.0000 0.3251 0.1005 ( 2272 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3541 -29.3541 -29.2998 -29.2998 -28.5722 -28.5722 -28.5029 -28.5029 -28.3989 -28.3989 -28.2468 -28.2468 -8.4988 -8.4988 -8.2578 -8.2578 -7.5841 -7.5841 -7.4722 -7.4722 3.8998 3.8998 4.2280 4.2280 5.5366 5.5366 5.6023 5.6023 5.6796 5.6796 6.1486 6.1486 6.3307 6.3307 6.3995 6.3995 7.3202 7.3202 7.6919 7.6919 8.3355 8.3355 8.4574 8.4574 10.3711 10.3711 10.5243 10.5243 11.4742 11.4742 11.5077 11.5077 12.1158 12.1158 12.1639 12.1639 k = 0.0000 0.3254 0.1097 ( 2281 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3542 -29.3542 -29.2998 -29.2998 -28.5722 -28.5722 -28.5032 -28.5032 -28.3986 -28.3986 -28.2467 -28.2467 -8.5041 -8.5041 -8.2510 -8.2510 -7.5877 -7.5877 -7.4682 -7.4682 3.8511 3.8511 4.1840 4.1840 5.5747 5.5747 5.6384 5.6384 5.6673 5.6673 6.2083 6.2083 6.3197 6.3197 6.4625 6.4625 7.3407 7.3407 7.7230 7.7230 8.2813 8.2813 8.4101 8.4101 10.3501 10.3501 10.5050 10.5050 11.4336 11.4336 11.4699 11.4699 12.1351 12.1351 12.1844 12.1844 k = 0.0000 0.3257 0.1189 ( 2281 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3544 -29.3544 -29.2999 -29.2999 -28.5722 -28.5722 -28.5035 -28.5035 -28.3982 -28.3982 -28.2466 -28.2466 -8.5094 -8.5094 -8.2441 -8.2441 -7.5912 -7.5912 -7.4643 -7.4643 3.8033 3.8033 4.1409 4.1409 5.6140 5.6140 5.6543 5.6543 5.6761 5.6761 6.2696 6.2696 6.3085 6.3085 6.5262 6.5262 7.3626 7.3626 7.7547 7.7547 8.2252 8.2252 8.3604 8.3604 10.3275 10.3275 10.4845 10.4845 11.3922 11.3922 11.4312 11.4312 12.1547 12.1547 12.2052 12.2052 k = 0.0000 0.3260 0.1282 ( 2279 PWs) bands (ev): -54.9904 -54.9904 -54.9014 -54.9014 -29.3545 -29.3545 -29.3000 -29.3000 -28.5723 -28.5723 -28.5038 -28.5038 -28.3978 -28.3978 -28.2465 -28.2465 -8.5147 -8.5147 -8.2371 -8.2371 -7.5948 -7.5948 -7.4604 -7.4604 3.7566 3.7566 4.0991 4.0991 5.6410 5.6410 5.6556 5.6556 5.7140 5.7140 6.2971 6.2971 6.3318 6.3318 6.5903 6.5903 7.3856 7.3856 7.7867 7.7867 8.1676 8.1676 8.3088 8.3088 10.3034 10.3034 10.4628 10.4628 11.3504 11.3504 11.3917 11.3917 12.1742 12.1742 12.2261 12.2261 k = 0.0000 0.3263 0.1374 ( 2275 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3547 -29.3547 -29.3001 -29.3001 -28.5723 -28.5723 -28.5041 -28.5041 -28.3974 -28.3974 -28.2464 -28.2464 -8.5199 -8.5199 -8.2301 -8.2301 -7.5982 -7.5982 -7.4566 -7.4566 3.7113 3.7113 4.0588 4.0588 5.6290 5.6290 5.6972 5.6972 5.7531 5.7531 6.2857 6.2857 6.3942 6.3942 6.6539 6.6539 7.4094 7.4094 7.8187 7.8187 8.1090 8.1090 8.2556 8.2556 10.2780 10.2780 10.4402 10.4402 11.3085 11.3085 11.3518 11.3518 12.1936 12.1936 12.2467 12.2467 k = 0.0000 0.3266 0.1466 ( 2275 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3548 -29.3548 -29.3002 -29.3002 -28.5723 -28.5723 -28.5043 -28.5043 -28.3970 -28.3970 -28.2463 -28.2463 -8.5250 -8.5250 -8.2231 -8.2231 -7.6017 -7.6017 -7.4529 -7.4529 3.6675 3.6675 4.0200 4.0200 5.6167 5.6167 5.7408 5.7408 5.7934 5.7934 6.2745 6.2745 6.4560 6.4560 6.7168 6.7168 7.4340 7.4340 7.8506 7.8506 8.0498 8.0498 8.2013 8.2013 10.2515 10.2515 10.4166 10.4166 11.2668 11.2668 11.3118 11.3118 12.2126 12.2126 12.2670 12.2670 k = 0.0000 0.3269 0.1558 ( 2273 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3550 -29.3550 -29.3002 -29.3002 -28.5723 -28.5723 -28.5046 -28.5046 -28.3966 -28.3966 -28.2462 -28.2462 -8.5301 -8.5301 -8.2161 -8.2161 -7.6050 -7.6050 -7.4494 -7.4494 3.6254 3.6254 3.9830 3.9830 5.6047 5.6047 5.7858 5.7858 5.8349 5.8349 6.2634 6.2634 6.5167 6.5167 6.7781 6.7781 7.4590 7.4590 7.8820 7.8820 7.9906 7.9906 8.1461 8.1461 10.2239 10.2239 10.3922 10.3922 11.2257 11.2257 11.2719 11.2719 12.2310 12.2310 12.2869 12.2869 k = 0.0000 0.3272 0.1650 ( 2274 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3551 -29.3551 -29.3003 -29.3003 -28.5724 -28.5724 -28.5049 -28.5049 -28.3962 -28.3962 -28.2461 -28.2461 -8.5350 -8.5350 -8.2092 -8.2092 -7.6083 -7.6083 -7.4460 -7.4460 3.5852 3.5852 3.9478 3.9478 5.5929 5.5929 5.8324 5.8324 5.8775 5.8775 6.2527 6.2527 6.5752 6.5752 6.8375 6.8375 7.4841 7.4841 7.9104 7.9104 7.9345 7.9345 8.0906 8.0906 10.1956 10.1956 10.3672 10.3672 11.1853 11.1853 11.2325 11.2325 12.2488 12.2488 12.3060 12.3060 k = 0.0000 0.3274 0.1742 ( 2272 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3552 -29.3552 -29.3004 -29.3004 -28.5724 -28.5724 -28.5052 -28.5052 -28.3959 -28.3959 -28.2460 -28.2460 -8.5398 -8.5398 -8.2024 -8.2024 -7.6115 -7.6115 -7.4427 -7.4427 3.5468 3.5468 3.9147 3.9147 5.5816 5.5816 5.8804 5.8804 5.9214 5.9214 6.2424 6.2424 6.6308 6.6308 6.8940 6.8940 7.5093 7.5093 7.8725 7.8725 7.9449 7.9449 8.0354 8.0354 10.1667 10.1667 10.3416 10.3416 11.1461 11.1461 11.1937 11.1937 12.2658 12.2658 12.3244 12.3244 k = 0.0000 0.3277 0.1834 ( 2271 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3554 -29.3554 -29.3005 -29.3005 -28.5724 -28.5724 -28.5055 -28.5055 -28.3955 -28.3955 -28.2459 -28.2459 -8.5444 -8.5444 -8.1958 -8.1958 -7.6145 -7.6145 -7.4396 -7.4396 3.5105 3.5105 3.8836 3.8836 5.5707 5.5707 5.9298 5.9298 5.9664 5.9664 6.2325 6.2325 6.6823 6.6823 6.9471 6.9471 7.5343 7.5343 7.8175 7.8175 7.9704 7.9704 7.9842 7.9842 10.1375 10.1375 10.3158 10.3158 11.1082 11.1082 11.1559 11.1559 12.2819 12.2819 12.3420 12.3420 k = 0.0000 0.3280 0.1926 ( 2269 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3555 -29.3555 -29.3005 -29.3005 -28.5725 -28.5725 -28.5057 -28.5057 -28.3951 -28.3951 -28.2458 -28.2458 -8.5489 -8.5489 -8.1893 -8.1893 -7.6175 -7.6175 -7.4367 -7.4367 3.4763 3.4763 3.8547 3.8547 5.5604 5.5604 5.9807 5.9807 6.0125 6.0125 6.2232 6.2232 6.7286 6.7286 6.9959 6.9959 7.5587 7.5587 7.7652 7.7652 7.9268 7.9268 8.0028 8.0028 10.1084 10.1084 10.2898 10.2898 11.0720 11.0720 11.1192 11.1192 12.2969 12.2969 12.3586 12.3586 k = 0.0000 0.3283 0.2019 ( 2268 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3557 -29.3557 -29.3006 -29.3006 -28.5725 -28.5725 -28.5060 -28.5060 -28.3948 -28.3948 -28.2457 -28.2457 -8.5532 -8.5532 -8.1829 -8.1829 -7.6203 -7.6203 -7.4340 -7.4340 3.4443 3.4443 3.8280 3.8280 5.5506 5.5506 6.0328 6.0328 6.0595 6.0595 6.2145 6.2145 6.7681 6.7681 7.0393 7.0393 7.5824 7.5824 7.7171 7.7171 7.8764 7.8764 8.0292 8.0292 10.0797 10.0797 10.2639 10.2639 11.0378 11.0378 11.0841 11.0841 12.3108 12.3108 12.3741 12.3741 k = 0.0000 0.3286 0.2111 ( 2269 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3558 -29.3558 -29.3007 -29.3007 -28.5725 -28.5725 -28.5062 -28.5062 -28.3945 -28.3945 -28.2456 -28.2456 -8.5573 -8.5573 -8.1768 -8.1768 -7.6229 -7.6229 -7.4316 -7.4316 3.4146 3.4146 3.8037 3.8037 5.5415 5.5415 6.0861 6.0861 6.1075 6.1075 6.2065 6.2065 6.7993 6.7993 7.0765 7.0765 7.6047 7.6047 7.6750 7.6750 7.8293 7.8293 8.0542 8.0542 10.0517 10.0517 10.2385 10.2385 11.0058 11.0058 11.0505 11.0505 12.3235 12.3235 12.3886 12.3886 k = 0.0000 0.3289 0.2203 ( 2265 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3559 -29.3559 -29.3007 -29.3007 -28.5725 -28.5725 -28.5065 -28.5065 -28.3941 -28.3941 -28.2455 -28.2455 -8.5613 -8.5613 -8.1710 -8.1710 -7.6254 -7.6254 -7.4294 -7.4294 3.3873 3.3873 3.7817 3.7817 5.5331 5.5331 6.1403 6.1403 6.1562 6.1562 6.1993 6.1993 6.8203 6.8203 7.1061 7.1061 7.6219 7.6219 7.6435 7.6435 7.7870 7.7870 8.0774 8.0774 10.0248 10.0248 10.2137 10.2137 10.9763 10.9763 11.0190 11.0190 12.3350 12.3350 12.4019 12.4019 k = 0.0000 0.3292 0.2295 ( 2268 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3560 -29.3560 -29.3008 -29.3008 -28.5726 -28.5726 -28.5067 -28.5067 -28.3939 -28.3939 -28.2455 -28.2455 -8.5650 -8.5650 -8.1653 -8.1653 -7.6277 -7.6277 -7.4274 -7.4274 3.3624 3.3624 3.7622 3.7622 5.5253 5.5253 6.1906 6.1906 6.1958 6.1958 6.2073 6.2073 6.8296 6.8296 7.1273 7.1273 7.6070 7.6070 7.6503 7.6503 7.7508 7.7508 8.0985 8.0985 9.9995 9.9995 10.1899 10.1899 10.9496 10.9496 10.9895 10.9895 12.3452 12.3452 12.4141 12.4141 k = 0.0000 0.3295 0.2387 ( 2267 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3561 -29.3561 -29.3008 -29.3008 -28.5726 -28.5726 -28.5069 -28.5069 -28.3936 -28.3936 -28.2454 -28.2454 -8.5685 -8.5685 -8.1600 -8.1600 -7.6298 -7.6298 -7.4257 -7.4257 3.3399 3.3399 3.7451 3.7451 5.5183 5.5183 6.1863 6.1863 6.2480 6.2480 6.2590 6.2590 6.8266 6.8266 7.1389 7.1389 7.5878 7.5878 7.6672 7.6672 7.7225 7.7225 8.1173 8.1173 9.9762 9.9762 10.1674 10.1674 10.9259 10.9259 10.9625 10.9625 12.3540 12.3540 12.4251 12.4251 k = 0.0000 0.3297 0.2479 ( 2264 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3562 -29.3562 -29.3009 -29.3009 -28.5726 -28.5726 -28.5071 -28.5071 -28.3934 -28.3934 -28.2453 -28.2453 -8.5718 -8.5718 -8.1550 -8.1550 -7.6317 -7.6317 -7.4243 -7.4243 3.3200 3.3200 3.7306 3.7306 5.5121 5.5121 6.1814 6.1814 6.2983 6.2983 6.3143 6.3143 6.8113 6.8113 7.1407 7.1407 7.5758 7.5758 7.6795 7.6795 7.7054 7.7054 8.1336 8.1336 9.9552 9.9552 10.1465 10.1465 10.9053 10.9053 10.9380 10.9380 12.3615 12.3615 12.4349 12.4349 k = 0.0000 0.3300 0.2571 ( 2263 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3563 -29.3563 -29.3009 -29.3009 -28.5726 -28.5726 -28.5072 -28.5072 -28.3931 -28.3931 -28.2453 -28.2453 -8.5748 -8.5748 -8.1503 -8.1503 -7.6333 -7.6333 -7.4232 -7.4232 3.3025 3.3025 3.7186 3.7186 5.5067 5.5067 6.1772 6.1772 6.3462 6.3462 6.3714 6.3714 6.7850 6.7850 7.1332 7.1332 7.5707 7.5707 7.6768 7.6768 7.7083 7.7083 8.1472 8.1472 9.9371 9.9371 10.1277 10.1277 10.8882 10.8882 10.9163 10.9163 12.3676 12.3676 12.4435 12.4435 k = 0.0000 0.3303 0.2664 ( 2263 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3564 -29.3564 -29.3009 -29.3009 -28.5726 -28.5726 -28.5073 -28.5073 -28.3930 -28.3930 -28.2453 -28.2453 -8.5776 -8.5776 -8.1460 -8.1460 -7.6347 -7.6347 -7.4223 -7.4223 3.2877 3.2877 3.7091 3.7091 5.5021 5.5021 6.1739 6.1739 6.3918 6.3918 6.4292 6.4292 6.7493 6.7493 7.1178 7.1178 7.5712 7.5712 7.6689 7.6689 7.7196 7.7196 8.1579 8.1579 9.9222 9.9222 10.1112 10.1112 10.8747 10.8747 10.8975 10.8975 12.3723 12.3723 12.4508 12.4508 k = 0.0000 0.3306 0.2756 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3564 -29.3564 -29.3009 -29.3009 -28.5726 -28.5726 -28.5075 -28.5075 -28.3928 -28.3928 -28.2452 -28.2452 -8.5802 -8.5802 -8.1420 -8.1420 -7.6358 -7.6358 -7.4218 -7.4218 3.2755 3.2755 3.7023 3.7023 5.4983 5.4983 6.1715 6.1715 6.4341 6.4341 6.4870 6.4870 6.7064 6.7064 7.0974 7.0974 7.5757 7.5757 7.6625 7.6625 7.7304 7.7304 8.1657 8.1657 9.9107 9.9107 10.0973 10.0973 10.8648 10.8648 10.8819 10.8819 12.3756 12.3756 12.4570 12.4570 k = 0.0000 0.3309 0.2848 ( 2261 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5076 -28.5076 -28.3927 -28.3927 -28.2452 -28.2452 -8.5825 -8.5825 -8.1385 -8.1385 -7.6367 -7.6367 -7.4216 -7.4216 3.2659 3.2659 3.6981 3.6981 5.4954 5.4954 6.1699 6.1699 6.4716 6.4716 6.5442 6.5442 6.6581 6.6581 7.0752 7.0752 7.5825 7.5825 7.6568 7.6568 7.7393 7.7393 8.1704 8.1704 9.9031 9.9031 10.0864 10.0864 10.8587 10.8587 10.8696 10.8696 12.3775 12.3775 12.4619 12.4619 k = 0.0000 0.3312 0.2940 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3565 -29.3565 -29.3009 -29.3009 -28.5726 -28.5726 -28.5076 -28.5076 -28.3926 -28.3926 -28.2452 -28.2452 -8.5846 -8.5846 -8.1354 -8.1354 -7.6373 -7.6373 -7.4217 -7.4217 3.2590 3.2590 3.6965 3.6965 5.4933 5.4933 6.1692 6.1692 6.5020 6.5020 6.5952 6.5952 6.6108 6.6108 7.0549 7.0549 7.5900 7.5900 7.6510 7.6510 7.7461 7.7461 8.1719 8.1719 9.8993 9.8993 10.0786 10.0786 10.8560 10.8560 10.8611 10.8611 12.3780 12.3780 12.4656 12.4656 k = 0.5000 0.3122 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6816 -28.6816 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9113 -7.9113 -7.7582 -7.7582 -7.5432 -7.5432 -7.4163 -7.4163 4.0819 4.0819 4.1099 4.1099 4.1470 4.1470 4.2048 4.2048 5.4854 5.4854 5.6890 5.6890 6.0476 6.0476 6.2063 6.2063 7.3655 7.3655 7.6946 7.6946 8.7175 8.7175 8.7818 8.7818 11.3014 11.3014 11.3583 11.3583 11.5939 11.5939 11.6707 11.6707 11.7185 11.7185 11.9251 11.9251 k = 0.5000 0.3030 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6816 -28.6816 -28.6099 -28.6099 -28.4154 -28.4154 -28.2701 -28.2701 -7.9178 -7.9178 -7.7516 -7.7516 -7.5440 -7.5440 -7.4156 -7.4156 4.0798 4.0798 4.0970 4.0970 4.1502 4.1502 4.2192 4.2192 5.4887 5.4887 5.6766 5.6766 6.0607 6.0607 6.2075 6.2075 7.3664 7.3664 7.6914 7.6914 8.7144 8.7144 8.7772 8.7772 11.2917 11.2917 11.3337 11.3337 11.6001 11.6001 11.6932 11.6932 11.7216 11.7216 11.9267 11.9267 k = 0.5000 0.2938 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3418 -29.3418 -28.6817 -28.6817 -28.6098 -28.6098 -28.4154 -28.4154 -28.2701 -28.2701 -7.9259 -7.9259 -7.7434 -7.7434 -7.5471 -7.5471 -7.4125 -7.4125 4.0748 4.0748 4.0841 4.0841 4.1564 4.1564 4.2357 4.2357 5.4897 5.4897 5.6628 5.6628 6.0772 6.0772 6.2128 6.2128 7.3667 7.3667 7.6873 7.6873 8.7088 8.7088 8.7697 8.7697 11.2723 11.2723 11.3040 11.3040 11.6149 11.6149 11.7116 11.7116 11.7327 11.7327 11.9302 11.9302 k = 0.5000 0.2846 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4188 -29.4188 -29.3418 -29.3418 -28.6818 -28.6818 -28.6097 -28.6097 -28.4154 -28.4154 -28.2700 -28.2700 -7.9351 -7.9351 -7.7341 -7.7341 -7.5523 -7.5523 -7.4074 -7.4074 4.0647 4.0647 4.0750 4.0750 4.1644 4.1644 4.2532 4.2532 5.4884 5.4884 5.6481 5.6481 6.0965 6.0965 6.2219 6.2219 7.3665 7.3665 7.6823 7.6823 8.7008 8.7008 8.7594 8.7594 11.2457 11.2457 11.2711 11.2711 11.6356 11.6356 11.7190 11.7190 11.7568 11.7568 11.9362 11.9362 k = 0.5000 0.2755 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4188 -29.4188 -29.3417 -29.3417 -28.6819 -28.6819 -28.6095 -28.6095 -28.4153 -28.4153 -28.2700 -28.2700 -7.9452 -7.9452 -7.7239 -7.7239 -7.5592 -7.5592 -7.4005 -7.4005 4.0515 4.0515 4.0689 4.0689 4.1737 4.1737 4.2713 4.2713 5.4852 5.4852 5.6331 5.6331 6.1181 6.1181 6.2348 6.2348 7.3656 7.3656 7.6763 7.6763 8.6905 8.6905 8.7463 8.7463 11.2142 11.2142 11.2362 11.2362 11.6585 11.6585 11.7250 11.7250 11.7830 11.7830 11.9454 11.9454 k = 0.5000 0.2663 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4189 -29.4189 -29.3417 -29.3417 -28.6820 -28.6820 -28.6094 -28.6094 -28.4153 -28.4153 -28.2700 -28.2700 -7.9557 -7.9557 -7.7133 -7.7133 -7.5672 -7.5672 -7.3925 -7.3925 4.0382 4.0382 4.0634 4.0634 4.1837 4.1837 4.2898 4.2898 5.4805 5.4805 5.6183 5.6183 6.1415 6.1415 6.2510 6.2510 7.3642 7.3642 7.6695 7.6695 8.6780 8.6780 8.7306 8.7306 11.1796 11.1796 11.1999 11.1999 11.6794 11.6794 11.7355 11.7355 11.8070 11.8070 11.9588 11.9588 k = 0.5000 0.2571 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4190 -29.4190 -29.3417 -29.3417 -28.6822 -28.6822 -28.6092 -28.6092 -28.4153 -28.4153 -28.2699 -28.2699 -7.9666 -7.9666 -7.7023 -7.7023 -7.5760 -7.5760 -7.3837 -7.3837 4.0253 4.0253 4.0582 4.0582 4.1942 4.1942 4.3084 4.3084 5.4745 5.4745 5.6040 5.6040 6.1663 6.1663 6.2701 6.2701 7.3622 7.3622 7.6618 7.6618 8.6634 8.6634 8.7123 8.7123 11.1430 11.1430 11.1627 11.1627 11.6933 11.6933 11.7543 11.7543 11.8272 11.8272 11.9769 11.9769 k = 0.5000 0.2479 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4191 -29.4191 -29.3416 -29.3416 -28.6823 -28.6823 -28.6089 -28.6089 -28.4153 -28.4153 -28.2699 -28.2699 -7.9777 -7.9777 -7.6911 -7.6911 -7.5854 -7.5854 -7.3743 -7.3743 4.0131 4.0131 4.0534 4.0534 4.2049 4.2049 4.3270 4.3270 5.4677 5.4677 5.5905 5.5905 6.1922 6.1922 6.2918 6.2918 7.3597 7.3597 7.6533 7.6533 8.6468 8.6468 8.6918 8.6918 11.1053 11.1053 11.1249 11.1249 11.7006 11.7006 11.7807 11.7807 11.8431 11.8431 11.9997 11.9997 k = 0.5000 0.2387 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4192 -29.4192 -29.3416 -29.3416 -28.6825 -28.6825 -28.6087 -28.6087 -28.4153 -28.4153 -28.2699 -28.2699 -7.9888 -7.9888 -7.6799 -7.6799 -7.5952 -7.5952 -7.3645 -7.3645 4.0016 4.0016 4.0489 4.0489 4.2156 4.2156 4.3453 4.3453 5.4607 5.4607 5.5780 5.5780 6.2190 6.2190 6.3157 6.3157 7.3567 7.3567 7.6439 7.6439 8.6285 8.6285 8.6690 8.6690 11.0668 11.0668 11.0867 11.0867 11.7043 11.7043 11.8109 11.8109 11.8555 11.8555 12.0263 12.0263 k = 0.5000 0.2295 0.3141 ( 2286 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4193 -29.4193 -29.3415 -29.3415 -28.6827 -28.6827 -28.6084 -28.6084 -28.4153 -28.4153 -28.2698 -28.2698 -7.9999 -7.9999 -7.6687 -7.6687 -7.6051 -7.6051 -7.3545 -7.3545 3.9909 3.9909 4.0448 4.0448 4.2262 4.2262 4.3633 4.3633 5.4536 5.4536 5.5668 5.5668 6.2464 6.2464 6.3413 6.3413 7.3532 7.3532 7.6336 7.6336 8.6085 8.6085 8.6442 8.6442 11.0279 11.0279 11.0484 11.0484 11.7064 11.7064 11.8418 11.8418 11.8660 11.8660 12.0556 12.0556 k = 0.5000 0.2204 0.3141 ( 2286 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4194 -29.4194 -29.3415 -29.3415 -28.6829 -28.6829 -28.6081 -28.6081 -28.4153 -28.4153 -28.2698 -28.2698 -8.0109 -8.0109 -7.6576 -7.6576 -7.6150 -7.6150 -7.3445 -7.3445 3.9810 3.9810 4.0412 4.0412 4.2365 4.2365 4.3807 4.3807 5.4470 5.4470 5.5570 5.5570 6.2744 6.2744 6.3683 6.3683 7.3492 7.3492 7.6226 7.6226 8.5872 8.5872 8.6175 8.6175 10.9889 10.9889 11.0102 11.0102 11.7077 11.7077 11.8650 11.8650 11.8830 11.8830 12.0864 12.0864 k = 0.5000 0.2112 0.3141 ( 2284 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4195 -29.4195 -29.3414 -29.3414 -28.6832 -28.6832 -28.6078 -28.6078 -28.4152 -28.4152 -28.2697 -28.2697 -8.0218 -8.0218 -7.6470 -7.6470 -7.6247 -7.6247 -7.3345 -7.3345 3.9718 3.9718 4.0380 4.0380 4.2465 4.2465 4.3974 4.3974 5.4412 5.4412 5.5486 5.5486 6.3027 6.3027 6.3964 6.3964 7.3448 7.3448 7.6109 7.6109 8.5646 8.5646 8.5892 8.5892 10.9499 10.9499 10.9722 10.9722 11.7084 11.7084 11.8739 11.8739 11.9131 11.9131 12.1179 12.1179 k = 0.5000 0.2020 0.3141 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4196 -29.4196 -29.3413 -29.3413 -28.6834 -28.6834 -28.6075 -28.6075 -28.4152 -28.4152 -28.2696 -28.2696 -8.0324 -8.0324 -7.6394 -7.6394 -7.6314 -7.6314 -7.3245 -7.3245 3.9634 3.9634 4.0352 4.0352 4.2560 4.2560 4.4133 4.4133 5.4364 5.4364 5.5418 5.5418 6.3312 6.3312 6.4253 6.4253 7.3400 7.3400 7.5983 7.5983 8.5410 8.5410 8.5595 8.5595 10.9112 10.9112 10.9346 10.9346 11.7088 11.7088 11.8793 11.8793 11.9455 11.9455 12.1496 12.1496 k = 0.5000 0.1928 0.3141 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4198 -29.4198 -29.3413 -29.3413 -28.6836 -28.6836 -28.6072 -28.6072 -28.4152 -28.4152 -28.2696 -28.2696 -8.0428 -8.0428 -7.6459 -7.6459 -7.6241 -7.6241 -7.3147 -7.3147 3.9557 3.9557 4.0329 4.0329 4.2651 4.2651 4.4283 4.4283 5.4329 5.4329 5.5367 5.5367 6.3598 6.3598 6.4547 6.4547 7.3348 7.3348 7.5851 7.5851 8.5166 8.5166 8.5286 8.5286 10.8729 10.8729 10.8975 10.8975 11.7090 11.7090 11.8837 11.8837 11.9780 11.9780 12.1811 12.1811 k = 0.5000 0.1836 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4199 -29.4199 -29.3412 -29.3412 -28.6839 -28.6839 -28.6069 -28.6069 -28.4152 -28.4152 -28.2695 -28.2695 -8.0530 -8.0530 -7.6550 -7.6550 -7.6142 -7.6142 -7.3051 -7.3051 3.9487 3.9487 4.0310 4.0310 4.2735 4.2735 4.4421 4.4421 5.4309 5.4309 5.5332 5.5332 6.3883 6.3883 6.4844 6.4844 7.3294 7.3294 7.5712 7.5712 8.4912 8.4912 8.4972 8.4972 10.8351 10.8351 10.8610 10.8610 11.7089 11.7089 11.8874 11.8874 12.0099 12.0099 12.2121 12.2121 k = 0.5000 0.1745 0.3141 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4200 -29.4200 -29.3411 -29.3411 -28.6841 -28.6841 -28.6066 -28.6066 -28.4152 -28.4152 -28.2694 -28.2694 -8.0628 -8.0628 -7.6642 -7.6642 -7.6043 -7.6043 -7.2958 -7.2958 3.9424 3.9424 4.0295 4.0295 4.2813 4.2813 4.4548 4.4548 5.4305 5.4305 5.5313 5.5313 6.4167 6.4167 6.5142 6.5142 7.3236 7.3236 7.5566 7.5566 8.4622 8.4622 8.4682 8.4682 10.7980 10.7980 10.8254 10.8254 11.7087 11.7087 11.8906 11.8906 12.0412 12.0412 12.2422 12.2422 k = 0.5000 0.1653 0.3141 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4202 -29.4202 -29.3411 -29.3411 -28.6844 -28.6844 -28.6062 -28.6062 -28.4151 -28.4151 -28.2694 -28.2694 -8.0722 -8.0722 -7.6732 -7.6732 -7.5948 -7.5948 -7.2867 -7.2867 3.9367 3.9367 4.0284 4.0284 4.2884 4.2884 4.4662 4.4662 5.4317 5.4317 5.5310 5.5310 6.4447 6.4447 6.5438 6.5438 7.3176 7.3176 7.5414 7.5414 8.4295 8.4295 8.4424 8.4424 10.7616 10.7616 10.7906 10.7906 11.7083 11.7083 11.8935 11.8935 12.0716 12.0716 12.2715 12.2715 k = 0.5000 0.1561 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4203 -29.4203 -29.3410 -29.3410 -28.6846 -28.6846 -28.6059 -28.6059 -28.4151 -28.4151 -28.2693 -28.2693 -8.0813 -8.0813 -7.6818 -7.6818 -7.5855 -7.5855 -7.2780 -7.2780 3.9316 3.9316 4.0276 4.0276 4.2949 4.2949 4.4763 4.4763 5.4346 5.4346 5.5322 5.5322 6.4724 6.4724 6.5730 6.5730 7.3114 7.3114 7.5256 7.5256 8.3959 8.3959 8.4171 8.4171 10.7263 10.7263 10.7569 10.7569 11.7077 11.7077 11.8960 11.8960 12.1010 12.1010 12.2997 12.2997 k = 0.5000 0.1469 0.3141 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4204 -29.4204 -29.3409 -29.3409 -28.6849 -28.6849 -28.6056 -28.6056 -28.4151 -28.4151 -28.2693 -28.2693 -8.0900 -8.0900 -7.6901 -7.6901 -7.5767 -7.5767 -7.2696 -7.2696 3.9271 3.9271 4.0271 4.0271 4.3006 4.3006 4.4852 4.4852 5.4392 5.4392 5.5348 5.5348 6.4995 6.4995 6.6018 6.6018 7.3050 7.3050 7.5093 7.5093 8.3622 8.3622 8.3923 8.3923 10.6920 10.6920 10.7243 10.7243 11.7070 11.7070 11.8983 11.8983 12.1294 12.1294 12.3267 12.3267 k = 0.5000 0.1377 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4206 -29.4206 -29.3409 -29.3409 -28.6851 -28.6851 -28.6052 -28.6052 -28.4151 -28.4151 -28.2692 -28.2692 -8.0983 -8.0983 -7.6981 -7.6981 -7.5683 -7.5683 -7.2615 -7.2615 3.9232 3.9232 4.0269 4.0269 4.3057 4.3057 4.4927 4.4927 5.4454 5.4454 5.5387 5.5387 6.5261 6.5261 6.6300 6.6300 7.2985 7.2985 7.4926 7.4926 8.3287 8.3287 8.3682 8.3682 10.6590 10.6590 10.6930 10.6930 11.7061 11.7061 11.9003 11.9003 12.1565 12.1565 12.3524 12.3524 k = 0.5000 0.1285 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4207 -29.4207 -29.3408 -29.3408 -28.6853 -28.6853 -28.6049 -28.6049 -28.4150 -28.4150 -28.2691 -28.2691 -8.1062 -8.1062 -7.7056 -7.7056 -7.5604 -7.5604 -7.2539 -7.2539 3.9197 3.9197 4.0269 4.0269 4.3101 4.3101 4.4990 4.4990 5.4529 5.4529 5.5437 5.5437 6.5519 6.5519 6.6574 6.6574 7.2920 7.2920 7.4755 7.4755 8.2956 8.2956 8.3448 8.3448 10.6273 10.6273 10.6630 10.6630 11.7051 11.7051 11.9021 11.9021 12.1822 12.1822 12.3767 12.3767 k = 0.5000 0.1194 0.3141 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4208 -29.4208 -29.3408 -29.3408 -28.6856 -28.6856 -28.6046 -28.6046 -28.4150 -28.4150 -28.2691 -28.2691 -8.1135 -8.1135 -7.7127 -7.7127 -7.5529 -7.5529 -7.2468 -7.2468 3.9167 3.9167 4.0271 4.0271 4.3138 4.3138 4.5042 4.5042 5.4617 5.4617 5.5497 5.5497 6.5770 6.5770 6.6838 6.6838 7.2854 7.2854 7.4581 7.4581 8.2631 8.2631 8.3224 8.3224 10.5972 10.5972 10.6345 10.6345 11.7041 11.7041 11.9037 11.9037 12.2066 12.2066 12.3996 12.3996 k = 0.5000 0.1102 0.3141 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4209 -29.4209 -29.3407 -29.3407 -28.6858 -28.6858 -28.6043 -28.6043 -28.4150 -28.4150 -28.2690 -28.2690 -8.1204 -8.1204 -7.7194 -7.7194 -7.5459 -7.5459 -7.2400 -7.2400 3.9141 3.9141 4.0275 4.0275 4.3170 4.3170 4.5084 4.5084 5.4714 5.4714 5.5565 5.5565 6.6010 6.6010 6.7093 6.7093 7.2788 7.2788 7.4405 7.4405 8.2316 8.2316 8.3012 8.3012 10.5686 10.5686 10.6076 10.6076 11.7029 11.7029 11.9050 11.9050 12.2295 12.2295 12.4210 12.4210 k = 0.5000 0.1010 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4210 -29.4210 -29.3406 -29.3406 -28.6860 -28.6860 -28.6041 -28.6041 -28.4150 -28.4150 -28.2690 -28.2690 -8.1268 -8.1268 -7.7256 -7.7256 -7.5394 -7.5394 -7.2337 -7.2337 3.9119 3.9119 4.0281 4.0281 4.3196 4.3196 4.5116 4.5116 5.4819 5.4819 5.5638 5.5638 6.6241 6.6241 6.7336 6.7336 7.2723 7.2723 7.4228 7.4228 8.2013 8.2013 8.2813 8.2813 10.5419 10.5419 10.5824 10.5824 11.7017 11.7017 11.9062 11.9062 12.2508 12.2508 12.4408 12.4408 k = 0.5000 0.0918 0.3141 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4211 -29.4211 -29.3406 -29.3406 -28.6862 -28.6862 -28.6038 -28.6038 -28.4150 -28.4150 -28.2689 -28.2689 -8.1327 -8.1327 -7.7313 -7.7313 -7.5334 -7.5334 -7.2280 -7.2280 3.9100 3.9100 4.0287 4.0287 4.3218 4.3218 4.5140 4.5140 5.4928 5.4928 5.5715 5.5715 6.6459 6.6459 6.7567 6.7567 7.2659 7.2659 7.4053 7.4053 8.1724 8.1724 8.2628 8.2628 10.5170 10.5170 10.5590 10.5590 11.7005 11.7005 11.9072 11.9072 12.2705 12.2705 12.4590 12.4590 k = 0.5000 0.0826 0.3141 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4212 -29.4212 -29.3406 -29.3406 -28.6863 -28.6863 -28.6036 -28.6036 -28.4149 -28.4149 -28.2689 -28.2689 -8.1381 -8.1381 -7.7365 -7.7365 -7.5279 -7.5279 -7.2227 -7.2227 3.9084 3.9084 4.0294 4.0294 4.3235 4.3235 4.5158 4.5158 5.5038 5.5038 5.5794 5.5794 6.6665 6.6665 6.7784 6.7784 7.2596 7.2596 7.3881 7.3881 8.1453 8.1453 8.2458 8.2458 10.4940 10.4940 10.5375 10.5375 11.6993 11.6993 11.9080 11.9080 12.2886 12.2886 12.4755 12.4755 k = 0.5000 0.0735 0.3141 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4213 -29.4213 -29.3405 -29.3405 -28.6865 -28.6865 -28.6034 -28.6034 -28.4149 -28.4149 -28.2688 -28.2688 -8.1429 -8.1429 -7.7412 -7.7412 -7.5230 -7.5230 -7.2179 -7.2179 3.9070 3.9070 4.0301 4.0301 4.3249 4.3249 4.5170 4.5170 5.5146 5.5146 5.5872 5.5872 6.6855 6.6855 6.7986 6.7986 7.2537 7.2537 7.3714 7.3714 8.1202 8.1202 8.2305 8.2305 10.4732 10.4732 10.5180 10.5180 11.6981 11.6981 11.9087 11.9087 12.3048 12.3048 12.4903 12.4903 k = 0.5000 0.0643 0.3141 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4214 -29.4214 -29.3405 -29.3405 -28.6866 -28.6866 -28.6032 -28.6032 -28.4149 -28.4149 -28.2688 -28.2688 -8.1472 -8.1472 -7.7454 -7.7454 -7.5186 -7.5186 -7.2137 -7.2137 3.9059 3.9059 4.0308 4.0308 4.3260 4.3260 4.5177 4.5177 5.5250 5.5250 5.5947 5.5947 6.7029 6.7029 6.8172 6.8172 7.2480 7.2480 7.3555 7.3555 8.0974 8.0974 8.2169 8.2169 10.4546 10.4546 10.5005 10.5005 11.6969 11.6969 11.9092 11.9092 12.3193 12.3193 12.5034 12.5034 k = 0.5000 0.0551 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4215 -29.4215 -29.3404 -29.3404 -28.6868 -28.6868 -28.6030 -28.6030 -28.4149 -28.4149 -28.2687 -28.2687 -8.1510 -8.1510 -7.7491 -7.7491 -7.5148 -7.5148 -7.2100 -7.2100 3.9050 3.9050 4.0314 4.0314 4.3268 4.3268 4.5181 4.5181 5.5346 5.5346 5.6017 5.6017 6.7186 6.7186 6.8339 6.8339 7.2428 7.2428 7.3407 7.3407 8.0770 8.0770 8.2051 8.2051 10.4382 10.4382 10.4852 10.4852 11.6959 11.6959 11.9097 11.9097 12.3320 12.3320 12.5147 12.5147 k = 0.5000 0.0459 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4215 -29.4215 -29.3404 -29.3404 -28.6869 -28.6869 -28.6029 -28.6029 -28.4149 -28.4149 -28.2687 -28.2687 -8.1542 -8.1542 -7.7522 -7.7522 -7.5116 -7.5116 -7.2069 -7.2069 3.9043 3.9043 4.0321 4.0321 4.3273 4.3273 4.5183 4.5183 5.5432 5.5432 5.6081 5.6081 6.7322 6.7322 6.8487 6.8487 7.2381 7.2381 7.3272 7.3272 8.0593 8.0593 8.1950 8.1950 10.4242 10.4242 10.4722 10.4722 11.6949 11.6949 11.9100 11.9100 12.3427 12.3427 12.5243 12.5243 k = 0.5000 0.0367 0.3141 ( 2306 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3404 -29.3404 -28.6870 -28.6870 -28.6027 -28.6027 -28.4149 -28.4149 -28.2687 -28.2687 -8.1568 -8.1568 -7.7547 -7.7547 -7.5089 -7.5089 -7.2043 -7.2043 3.9038 3.9038 4.0326 4.0326 4.3278 4.3278 4.5184 4.5184 5.5506 5.5506 5.6135 5.6135 6.7437 6.7437 6.8613 6.8613 7.2341 7.2341 7.3155 7.3155 8.0445 8.0445 8.1867 8.1867 10.4127 10.4127 10.4614 10.4614 11.6941 11.6941 11.9102 11.9102 12.3516 12.3516 12.5321 12.5321 k = 0.5000 0.0275 0.3141 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3404 -29.3404 -28.6870 -28.6870 -28.6026 -28.6026 -28.4149 -28.4149 -28.2687 -28.2687 -8.1588 -8.1588 -7.7567 -7.7567 -7.5068 -7.5068 -7.2023 -7.2023 3.9034 3.9034 4.0330 4.0330 4.3280 4.3280 4.5183 4.5183 5.5566 5.5566 5.6179 5.6179 6.7528 6.7528 6.8714 6.8714 7.2308 7.2308 7.3060 7.3060 8.0328 8.0328 8.1803 8.1803 10.4037 10.4037 10.4530 10.4530 11.6934 11.6934 11.9104 11.9104 12.3585 12.3585 12.5382 12.5382 k = 0.5000 0.0184 0.3141 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6026 -28.6026 -28.4149 -28.4149 -28.2686 -28.2686 -8.1603 -8.1603 -7.7581 -7.7581 -7.5053 -7.5053 -7.2008 -7.2008 3.9031 3.9031 4.0333 4.0333 4.3282 4.3282 4.5183 4.5183 5.5609 5.5609 5.6212 5.6212 6.7595 6.7595 6.8789 6.8789 7.2284 7.2284 7.2988 7.2988 8.0244 8.0244 8.1757 8.1757 10.3972 10.3972 10.4469 10.4469 11.6929 11.6929 11.9105 11.9105 12.3635 12.3635 12.5425 12.5425 k = 0.5000 0.0092 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6025 -28.6025 -28.4149 -28.4149 -28.2686 -28.2686 -8.1611 -8.1611 -7.7590 -7.7590 -7.5044 -7.5044 -7.2000 -7.2000 3.9029 3.9029 4.0335 4.0335 4.3283 4.3283 4.5182 4.5182 5.5636 5.5636 5.6232 5.6232 6.7635 6.7635 6.8834 6.8834 7.2269 7.2269 7.2944 7.2944 8.0193 8.0193 8.1730 8.1730 10.3933 10.3933 10.4433 10.4433 11.6927 11.6927 11.9106 11.9106 12.3664 12.3664 12.5451 12.5451 k = 0.5000-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6025 -28.6025 -28.4149 -28.4149 -28.2686 -28.2686 -8.1614 -8.1614 -7.7592 -7.7592 -7.5041 -7.5041 -7.1997 -7.1997 3.9029 3.9029 4.0336 4.0336 4.3284 4.3284 4.5182 4.5182 5.5645 5.5645 5.6239 5.6239 6.7649 6.7649 6.8850 6.8850 7.2264 7.2264 7.2929 7.2929 8.0176 8.0176 8.1721 8.1721 10.3920 10.3920 10.4421 10.4421 11.6926 11.6926 11.9106 11.9106 12.3674 12.3674 12.5460 12.5460 k = 0.5000-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6025 -28.6025 -28.4149 -28.4149 -28.2686 -28.2686 -8.1614 -8.1614 -7.7592 -7.7592 -7.5041 -7.5041 -7.1997 -7.1997 3.9029 3.9029 4.0336 4.0336 4.3284 4.3284 4.5182 4.5182 5.5645 5.5645 5.6239 5.6239 6.7649 6.7649 6.8850 6.8850 7.2264 7.2264 7.2929 7.2929 8.0176 8.0176 8.1721 8.1721 10.3920 10.3920 10.4421 10.4421 11.6926 11.6926 11.9106 11.9106 12.3674 12.3674 12.5460 12.5460 k = 0.5000-0.0000 0.3051 ( 2306 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6025 -28.6025 -28.4149 -28.4149 -28.2686 -28.2686 -8.1612 -8.1612 -7.7592 -7.7592 -7.5044 -7.5044 -7.1998 -7.1998 3.9040 3.9040 4.0349 4.0349 4.3281 4.3281 4.5180 4.5180 5.5647 5.5647 5.6240 5.6240 6.7635 6.7635 6.8835 6.8835 7.2274 7.2274 7.2934 7.2934 8.0142 8.0142 8.1696 8.1696 10.3952 10.3952 10.4450 10.4450 11.6927 11.6927 11.9107 11.9107 12.3670 12.3670 12.5456 12.5456 k = 0.5000-0.0000 0.2962 ( 2308 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3403 -29.3403 -28.6871 -28.6871 -28.6026 -28.6026 -28.4149 -28.4149 -28.2686 -28.2686 -8.1606 -8.1606 -7.7590 -7.7590 -7.5052 -7.5052 -7.2002 -7.2002 3.9075 3.9075 4.0387 4.0387 4.3275 4.3275 4.5173 4.5173 5.5652 5.5652 5.6244 5.6244 6.7592 6.7592 6.8792 6.8792 7.2304 7.2304 7.2948 7.2948 8.0042 8.0042 8.1625 8.1625 10.4048 10.4048 10.4536 10.4536 11.6930 11.6930 11.9110 11.9110 12.3659 12.3659 12.5443 12.5443 k = 0.5000-0.0000 0.2872 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3404 -29.3404 -28.6870 -28.6870 -28.6026 -28.6026 -28.4149 -28.4149 -28.2686 -28.2686 -8.1596 -8.1596 -7.7586 -7.7586 -7.5064 -7.5064 -7.2008 -7.2008 3.9133 3.9133 4.0451 4.0451 4.3263 4.3263 4.5162 4.5162 5.5660 5.5660 5.6251 5.6251 6.7523 6.7523 6.8720 6.8720 7.2352 7.2352 7.2968 7.2968 7.9878 7.9878 8.1508 8.1508 10.4207 10.4207 10.4679 10.4679 11.6936 11.6936 11.9114 11.9114 12.3640 12.3640 12.5423 12.5423 k = 0.5000-0.0000 0.2782 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3404 -29.3404 -28.6869 -28.6869 -28.6027 -28.6027 -28.4149 -28.4149 -28.2687 -28.2687 -8.1582 -8.1582 -7.7581 -7.7581 -7.5082 -7.5082 -7.2016 -7.2016 3.9214 3.9214 4.0541 4.0541 4.3248 4.3248 4.5148 4.5148 5.5672 5.5672 5.6261 5.6261 6.7428 6.7428 6.8624 6.8624 7.2415 7.2415 7.2990 7.2990 7.9655 7.9655 8.1352 8.1352 10.4424 10.4424 10.4875 10.4875 11.6945 11.6945 11.9120 11.9120 12.3614 12.3614 12.5394 12.5394 k = 0.5000-0.0000 0.2692 ( 2300 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4215 -29.4215 -29.3404 -29.3404 -28.6868 -28.6868 -28.6028 -28.6028 -28.4149 -28.4149 -28.2687 -28.2687 -8.1564 -8.1564 -7.7575 -7.7575 -7.5105 -7.5105 -7.2027 -7.2027 3.9316 3.9316 4.0656 4.0656 4.3228 4.3228 4.5131 4.5131 5.5688 5.5688 5.6274 5.6274 6.7311 6.7311 6.8503 6.8503 7.2486 7.2486 7.3010 7.3010 7.9379 7.9379 8.1162 8.1162 10.4696 10.4696 10.5120 10.5120 11.6955 11.6955 11.9128 11.9128 12.3580 12.3580 12.5357 12.5357 k = 0.5000-0.0000 0.2603 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4214 -29.4214 -29.3404 -29.3404 -28.6867 -28.6867 -28.6030 -28.6030 -28.4148 -28.4148 -28.2687 -28.2687 -8.1542 -8.1542 -7.7567 -7.7567 -7.5132 -7.5132 -7.2039 -7.2039 3.9441 3.9441 4.0797 4.0797 4.3203 4.3203 4.5110 4.5110 5.5708 5.5708 5.6290 5.6290 6.7174 6.7174 6.8361 6.8361 7.2562 7.2562 7.3020 7.3020 7.9059 7.9059 8.0947 8.0947 10.5017 10.5017 10.5412 10.5412 11.6968 11.6968 11.9137 11.9137 12.3538 12.3538 12.5311 12.5311 k = 0.5000-0.0000 0.2513 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4213 -29.4213 -29.3404 -29.3404 -28.6866 -28.6866 -28.6032 -28.6032 -28.4148 -28.4148 -28.2687 -28.2687 -8.1516 -8.1516 -7.7559 -7.7559 -7.5164 -7.5164 -7.2054 -7.2054 3.9586 3.9586 4.0962 4.0962 4.3175 4.3175 4.5088 4.5088 5.5731 5.5731 5.6310 5.6310 6.7019 6.7019 6.8200 6.8200 7.2634 7.2634 7.3015 7.3015 7.8703 7.8703 8.0715 8.0715 10.5384 10.5384 10.5746 10.5746 11.6982 11.6982 11.9147 11.9147 12.3489 12.3489 12.5258 12.5258 k = 0.5000-0.0000 0.2423 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4213 -29.4213 -29.3405 -29.3405 -28.6864 -28.6864 -28.6033 -28.6033 -28.4148 -28.4148 -28.2687 -28.2687 -8.1487 -8.1487 -7.7549 -7.7549 -7.5201 -7.5201 -7.2071 -7.2071 3.9751 3.9751 4.1152 4.1152 4.3144 4.3144 4.5065 4.5065 5.5758 5.5758 5.6332 5.6332 6.6849 6.6849 6.8022 6.8022 7.2694 7.2694 7.2986 7.2986 7.8324 7.8324 8.0476 8.0476 10.5790 10.5790 10.6117 10.6117 11.6998 11.6998 11.9159 11.9159 12.3432 12.3432 12.5195 12.5195 k = 0.5000-0.0000 0.2333 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4211 -29.4211 -29.3405 -29.3405 -28.6863 -28.6863 -28.6036 -28.6036 -28.4148 -28.4148 -28.2687 -28.2687 -8.1454 -8.1454 -7.7538 -7.7538 -7.5242 -7.5242 -7.2090 -7.2090 3.9935 3.9935 4.1366 4.1366 4.3109 4.3109 4.5043 4.5043 5.5789 5.5789 5.6359 5.6359 6.6665 6.6665 6.7828 6.7828 7.2729 7.2729 7.2925 7.2925 7.7935 7.7935 8.0243 8.0243 10.6230 10.6230 10.6522 10.6522 11.7016 11.7016 11.9171 11.9171 12.3369 12.3369 12.5124 12.5124 k = 0.5000-0.0000 0.2244 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4210 -29.4210 -29.3405 -29.3405 -28.6861 -28.6861 -28.6038 -28.6038 -28.4148 -28.4148 -28.2688 -28.2688 -8.1418 -8.1418 -7.7526 -7.7526 -7.5287 -7.5287 -7.2110 -7.2110 4.0136 4.0136 4.1605 4.1605 4.3071 4.3071 4.5023 4.5023 5.5823 5.5823 5.6389 5.6389 6.6469 6.6469 6.7620 6.7620 7.2723 7.2723 7.2828 7.2828 7.7556 7.7556 8.0025 8.0025 10.6699 10.6699 10.6955 10.6955 11.7035 11.7035 11.9184 11.9184 12.3297 12.3297 12.5044 12.5044 k = 0.5000-0.0000 0.2154 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4209 -29.4209 -29.3405 -29.3405 -28.6859 -28.6859 -28.6040 -28.6040 -28.4148 -28.4148 -28.2688 -28.2688 -8.1378 -8.1378 -7.7512 -7.7512 -7.5337 -7.5337 -7.2132 -7.2132 4.0351 4.0351 4.1867 4.1867 4.3031 4.3031 4.5007 4.5007 5.5862 5.5862 5.6422 5.6422 6.6262 6.6262 6.7399 6.7399 7.2639 7.2639 7.2707 7.2707 7.7205 7.7205 7.9832 7.9832 10.7191 10.7191 10.7415 10.7415 11.7055 11.7055 11.9197 11.9197 12.3219 12.3219 12.4955 12.4955 k = 0.5000-0.0000 0.2064 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4208 -29.4208 -29.3406 -29.3406 -28.6856 -28.6856 -28.6043 -28.6043 -28.4148 -28.4148 -28.2688 -28.2688 -8.1335 -8.1335 -7.7498 -7.7498 -7.5390 -7.5390 -7.2156 -7.2156 4.0579 4.0579 4.2150 4.2150 4.2990 4.2990 4.4998 4.4998 5.5904 5.5904 5.6459 5.6459 6.6046 6.6046 6.7167 6.7167 7.2452 7.2452 7.2564 7.2564 7.6904 7.6904 7.9672 7.9672 10.7702 10.7702 10.7896 10.7896 11.7076 11.7076 11.9211 11.9211 12.3133 12.3133 12.4858 12.4858 k = 0.5000-0.0000 0.1974 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4206 -29.4206 -29.3406 -29.3406 -28.6854 -28.6854 -28.6046 -28.6046 -28.4148 -28.4148 -28.2688 -28.2688 -8.1290 -8.1290 -7.7484 -7.7484 -7.5446 -7.5446 -7.2181 -7.2181 4.0815 4.0815 4.2452 4.2452 4.2952 4.2952 4.5001 4.5001 5.5950 5.5950 5.6500 5.6500 6.5821 6.5821 6.6924 6.6924 7.2198 7.2198 7.2346 7.2346 7.6672 7.6672 7.9550 7.9550 10.8227 10.8227 10.8398 10.8398 11.7097 11.7097 11.9225 11.9225 12.3039 12.3039 12.4751 12.4751 k = 0.5000-0.0000 0.1885 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4205 -29.4205 -29.3407 -29.3407 -28.6852 -28.6852 -28.6049 -28.6049 -28.4148 -28.4148 -28.2689 -28.2689 -8.1241 -8.1241 -7.7468 -7.7468 -7.5505 -7.5505 -7.2207 -7.2207 4.1055 4.1055 4.2738 4.2738 4.2951 4.2951 4.5018 4.5018 5.5999 5.5999 5.6545 5.6545 6.5587 6.5587 6.6670 6.6670 7.1887 7.1887 7.2037 7.2037 7.6517 7.6517 7.9469 7.9469 10.8759 10.8759 10.8917 10.8917 11.7119 11.7119 11.9239 11.9239 12.2938 12.2938 12.4636 12.4636 k = 0.5000-0.0000 0.1795 ( 2302 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4203 -29.4203 -29.3407 -29.3407 -28.6849 -28.6849 -28.6052 -28.6052 -28.4148 -28.4148 -28.2689 -28.2689 -8.1190 -8.1190 -7.7452 -7.7452 -7.5567 -7.5567 -7.2233 -7.2233 4.1295 4.1295 4.2805 4.2805 4.3189 4.3189 4.5055 4.5055 5.6050 5.6050 5.6592 5.6592 6.5345 6.5345 6.6406 6.6406 7.1523 7.1523 7.1645 7.1645 7.6437 7.6437 7.9428 7.9428 10.9294 10.9294 10.9453 10.9453 11.7141 11.7141 11.9253 11.9253 12.2830 12.2830 12.4511 12.4511 k = 0.5000-0.0000 0.1705 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4202 -29.4202 -29.3407 -29.3407 -28.6846 -28.6846 -28.6055 -28.6055 -28.4147 -28.4147 -28.2689 -28.2689 -8.1137 -8.1137 -7.7436 -7.7436 -7.5632 -7.5632 -7.2261 -7.2261 4.1527 4.1527 4.2769 4.2769 4.3551 4.3551 4.5119 4.5119 5.6103 5.6103 5.6643 5.6643 6.5094 6.5094 6.6132 6.6132 7.1105 7.1105 7.1193 7.1193 7.6420 7.6420 7.9423 7.9423 10.9830 10.9830 11.0003 11.0003 11.7164 11.7164 11.9266 11.9266 12.2715 12.2715 12.4377 12.4377 k = 0.5000-0.0000 0.1615 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4200 -29.4200 -29.3408 -29.3408 -28.6844 -28.6844 -28.6058 -28.6058 -28.4147 -28.4147 -28.2690 -28.2690 -8.1082 -8.1082 -7.7419 -7.7419 -7.5699 -7.5699 -7.2289 -7.2289 4.1745 4.1745 4.2722 4.2722 4.3944 4.3944 4.5216 4.5216 5.6157 5.6157 5.6696 5.6696 6.4835 6.4835 6.5848 6.5848 7.0615 7.0615 7.0723 7.0723 7.6452 7.6452 7.9449 7.9449 11.0365 11.0365 11.0562 11.0562 11.7187 11.7187 11.9279 11.9279 12.2591 12.2591 12.4234 12.4234 k = 0.5000-0.0000 0.1526 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4199 -29.4199 -29.3408 -29.3408 -28.6841 -28.6841 -28.6061 -28.6061 -28.4147 -28.4147 -28.2690 -28.2690 -8.1026 -8.1026 -7.7402 -7.7402 -7.5767 -7.5767 -7.2317 -7.2317 4.1941 4.1941 4.2673 4.2673 4.4360 4.4360 4.5354 4.5354 5.6211 5.6211 5.6751 5.6751 6.4565 6.4565 6.5554 6.5554 7.0065 7.0065 7.0250 7.0250 7.6520 7.6520 7.9501 7.9501 11.0898 11.0898 11.1126 11.1126 11.7209 11.7209 11.9291 11.9291 12.2460 12.2460 12.4081 12.4081 k = 0.5000-0.0000 0.1436 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4197 -29.4197 -29.3409 -29.3409 -28.6838 -28.6838 -28.6064 -28.6064 -28.4147 -28.4147 -28.2690 -28.2690 -8.0968 -8.0968 -7.7384 -7.7384 -7.5836 -7.5836 -7.2345 -7.2345 4.2108 4.2108 4.2623 4.2623 4.4797 4.4797 4.5538 4.5538 5.6263 5.6263 5.6806 5.6806 6.4284 6.4284 6.5249 6.5249 6.9488 6.9488 6.9768 6.9768 7.6611 7.6611 7.9574 7.9574 11.1427 11.1427 11.1692 11.1692 11.7231 11.7231 11.9303 11.9303 12.2321 12.2321 12.3918 12.3918 k = 0.5000-0.0000 0.1346 ( 2300 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4196 -29.4196 -29.3409 -29.3409 -28.6836 -28.6836 -28.6067 -28.6067 -28.4147 -28.4147 -28.2691 -28.2691 -8.0909 -8.0909 -7.7367 -7.7367 -7.5906 -7.5906 -7.2373 -7.2373 4.2244 4.2244 4.2573 4.2573 4.5253 4.5253 4.5771 4.5771 5.6312 5.6312 5.6862 5.6862 6.3991 6.3991 6.4934 6.4934 6.8900 6.8900 6.9281 6.9281 7.6718 7.6718 7.9662 7.9662 11.1953 11.1953 11.2257 11.2257 11.7253 11.7253 11.9314 11.9314 12.2174 12.2174 12.3745 12.3745 k = 0.5000-0.0000 0.1256 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4194 -29.4194 -29.3410 -29.3410 -28.6833 -28.6833 -28.6071 -28.6071 -28.4147 -28.4147 -28.2691 -28.2691 -8.0850 -8.0850 -7.7350 -7.7350 -7.5976 -7.5976 -7.2400 -7.2400 4.2348 4.2348 4.2525 4.2525 4.5726 4.5726 4.6054 4.6054 5.6355 5.6355 5.6916 5.6916 6.3683 6.3683 6.4608 6.4608 6.8315 6.8315 6.8796 6.8796 7.6834 7.6834 7.9761 7.9761 11.2472 11.2472 11.2818 11.2818 11.7275 11.7275 11.9325 11.9325 12.2019 12.2019 12.3562 12.3562 k = 0.5000-0.0000 0.1167 ( 2288 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4193 -29.4193 -29.3410 -29.3410 -28.6830 -28.6830 -28.6074 -28.6074 -28.4147 -28.4147 -28.2691 -28.2691 -8.0791 -8.0791 -7.7334 -7.7334 -7.6046 -7.6046 -7.2427 -7.2427 4.2418 4.2418 4.2483 4.2483 4.6216 4.6216 4.6383 4.6383 5.6389 5.6389 5.6966 5.6966 6.3357 6.3357 6.4272 6.4272 6.7746 6.7746 6.8321 6.8321 7.6955 7.6955 7.9867 7.9867 11.2983 11.2983 11.3374 11.3374 11.7297 11.7297 11.9334 11.9334 12.1855 12.1855 12.3369 12.3369 k = 0.5000-0.0000 0.1077 ( 2290 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4191 -29.4191 -29.3411 -29.3411 -28.6828 -28.6828 -28.6077 -28.6077 -28.4147 -28.4147 -28.2692 -28.2692 -8.0733 -8.0733 -7.7318 -7.7318 -7.6115 -7.6115 -7.2453 -7.2453 4.2419 4.2419 4.2487 4.2487 4.6718 4.6718 4.6755 4.6755 5.6411 5.6411 5.7009 5.7009 6.3013 6.3013 6.3928 6.3928 6.7201 6.7201 6.7864 6.7864 7.7076 7.7076 7.9977 7.9977 11.3485 11.3485 11.3922 11.3922 11.7318 11.7318 11.9343 11.9343 12.1683 12.1683 12.3165 12.3165 k = 0.5000-0.0000 0.0987 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4190 -29.4190 -29.3411 -29.3411 -28.6825 -28.6825 -28.6080 -28.6080 -28.4146 -28.4146 -28.2692 -28.2692 -8.0676 -8.0676 -7.7303 -7.7303 -7.6182 -7.6182 -7.2478 -7.2478 4.2379 4.2379 4.2513 4.2513 4.7151 4.7151 4.7245 4.7245 5.6416 5.6416 5.7043 5.7043 6.2650 6.2650 6.3578 6.3578 6.6691 6.6691 6.7431 6.7431 7.7195 7.7195 8.0087 8.0087 11.3976 11.3976 11.4460 11.4460 11.7340 11.7340 11.9351 11.9351 12.1501 12.1501 12.2950 12.2950 k = 0.5000-0.0000 0.0897 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4189 -29.4189 -29.3411 -29.3411 -28.6823 -28.6823 -28.6082 -28.6082 -28.4146 -28.4146 -28.2692 -28.2692 -8.0620 -8.0620 -7.7288 -7.7288 -7.6247 -7.6247 -7.2502 -7.2502 4.2339 4.2339 4.2528 4.2528 4.7581 4.7581 4.7776 4.7776 5.6402 5.6402 5.7063 5.7063 6.2268 6.2268 6.3228 6.3228 6.6222 6.6222 6.7027 6.7027 7.7310 7.7310 8.0195 8.0195 11.4454 11.4454 11.4988 11.4988 11.7363 11.7363 11.9358 11.9358 12.1310 12.1310 12.2723 12.2723 k = 0.5000-0.0000 0.0808 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4187 -29.4187 -29.3412 -29.3412 -28.6821 -28.6821 -28.6085 -28.6085 -28.4146 -28.4146 -28.2692 -28.2692 -8.0567 -8.0567 -7.7275 -7.7275 -7.6309 -7.6309 -7.2524 -7.2524 4.2300 4.2300 4.2532 4.2532 4.8032 4.8032 4.8318 4.8318 5.6361 5.6361 5.7061 5.7061 6.1875 6.1875 6.2883 6.2883 6.5801 6.5801 6.6656 6.6656 7.7418 7.7418 8.0299 8.0299 11.4916 11.4916 11.5503 11.5503 11.7388 11.7388 11.9364 11.9364 12.1109 12.1109 12.2486 12.2486 k = 0.5000-0.0000 0.0718 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4186 -29.4186 -29.3412 -29.3412 -28.6819 -28.6819 -28.6087 -28.6087 -28.4146 -28.4146 -28.2693 -28.2693 -8.0517 -8.0517 -7.7262 -7.7262 -7.6367 -7.6367 -7.2544 -7.2544 4.2265 4.2265 4.2529 4.2529 4.8497 4.8497 4.8866 4.8866 5.6289 5.6289 5.7032 5.7032 6.1478 6.1478 6.2553 6.2553 6.5429 6.5429 6.6320 6.6320 7.7519 7.7519 8.0396 8.0396 11.5359 11.5359 11.6003 11.6003 11.7417 11.7417 11.9370 11.9370 12.0898 12.0898 12.2237 12.2237 k = 0.5000-0.0000 0.0628 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4185 -29.4185 -29.3412 -29.3412 -28.6817 -28.6817 -28.6089 -28.6089 -28.4146 -28.4146 -28.2693 -28.2693 -8.0470 -8.0470 -7.7251 -7.7251 -7.6420 -7.6420 -7.2563 -7.2563 4.2233 4.2233 4.2522 4.2522 4.8969 4.8969 4.9417 4.9417 5.6183 5.6183 5.6965 5.6965 6.1093 6.1093 6.2245 6.2245 6.5107 6.5107 6.6022 6.6022 7.7610 7.7610 8.0486 8.0486 11.5780 11.5780 11.6488 11.6488 11.7453 11.7453 11.9375 11.9375 12.0677 12.0677 12.1976 12.1976 k = 0.5000-0.0000 0.0538 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4184 -29.4184 -29.3413 -29.3413 -28.6815 -28.6815 -28.6091 -28.6091 -28.4146 -28.4146 -28.2693 -28.2693 -8.0428 -8.0428 -7.7241 -7.7241 -7.6468 -7.6468 -7.2579 -7.2579 4.2204 4.2204 4.2512 4.2512 4.9440 4.9440 4.9966 4.9966 5.6040 5.6040 5.6850 5.6850 6.0737 6.0737 6.1969 6.1969 6.4833 6.4833 6.5761 6.5761 7.7691 7.7691 8.0566 8.0566 11.6169 11.6169 11.6951 11.6951 11.7507 11.7507 11.9379 11.9379 12.0447 12.0447 12.1704 12.1704 k = 0.5000-0.0000 0.0449 ( 2296 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4184 -29.4184 -29.3413 -29.3413 -28.6814 -28.6814 -28.6093 -28.6093 -28.4146 -28.4146 -28.2693 -28.2693 -8.0391 -8.0391 -7.7232 -7.7232 -7.6510 -7.6510 -7.2593 -7.2593 4.2180 4.2180 4.2500 4.2500 4.9900 4.9900 5.0505 5.0505 5.5862 5.5862 5.6683 5.6683 6.0427 6.0427 6.1732 6.1732 6.4605 6.4605 6.5539 6.5539 7.7761 7.7761 8.0636 8.0636 11.6514 11.6514 11.7379 11.7379 11.7604 11.7604 11.9381 11.9381 12.0207 12.0207 12.1422 12.1422 k = 0.5000-0.0000 0.0359 ( 2292 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4183 -29.4183 -29.3413 -29.3413 -28.6813 -28.6813 -28.6094 -28.6094 -28.4146 -28.4146 -28.2693 -28.2693 -8.0360 -8.0360 -7.7225 -7.7225 -7.6546 -7.6546 -7.2605 -7.2605 4.2160 4.2160 4.2490 4.2490 5.0335 5.0335 5.1021 5.1021 5.5659 5.5659 5.6464 5.6464 6.0175 6.0175 6.1539 6.1539 6.4422 6.4422 6.5356 6.5356 7.7819 7.7819 8.0694 8.0694 11.6788 11.6788 11.7660 11.7660 11.7874 11.7874 11.9381 11.9381 11.9962 11.9962 12.1131 12.1131 k = 0.5000-0.0000 0.0269 ( 2294 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4183 -29.4183 -29.3413 -29.3413 -28.6812 -28.6812 -28.6095 -28.6095 -28.4146 -28.4146 -28.2693 -28.2693 -8.0334 -8.0334 -7.7220 -7.7220 -7.6574 -7.6574 -7.2614 -7.2614 4.2144 4.2144 4.2481 4.2481 5.0727 5.0727 5.1496 5.1496 5.5446 5.5446 5.6211 5.6211 5.9987 5.9987 6.1391 6.1391 6.4281 6.4281 6.5213 6.5213 7.7865 7.7865 8.0740 8.0740 11.6972 11.6972 11.7874 11.7874 11.8248 11.8248 11.9368 11.9368 11.9725 11.9725 12.0836 12.0836 k = 0.5000-0.0000 0.0179 ( 2298 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4182 -29.4182 -29.3413 -29.3413 -28.6811 -28.6811 -28.6096 -28.6096 -28.4146 -28.4146 -28.2693 -28.2693 -8.0316 -8.0316 -7.7216 -7.7216 -7.6595 -7.6595 -7.2621 -7.2621 4.2132 4.2132 4.2473 4.2473 5.1049 5.1049 5.1897 5.1897 5.5251 5.5251 5.5959 5.5959 5.9860 5.9860 6.1287 6.1287 6.4181 6.4181 6.5111 6.5111 7.7898 7.7898 8.0773 8.0773 11.7073 11.7073 11.8131 11.8131 11.8583 11.8583 11.9286 11.9286 11.9563 11.9563 12.0549 12.0549 k = 0.5000-0.0000 0.0090 ( 2300 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4182 -29.4182 -29.3413 -29.3413 -28.6811 -28.6811 -28.6097 -28.6097 -28.4146 -28.4146 -28.2693 -28.2693 -8.0305 -8.0305 -7.7213 -7.7213 -7.6607 -7.6607 -7.2625 -7.2625 4.2125 4.2125 4.2469 4.2469 5.1266 5.1266 5.2178 5.2178 5.5110 5.5110 5.5764 5.5764 5.9788 5.9788 6.1225 6.1225 6.4121 6.4121 6.5049 6.5049 7.7918 7.7918 8.0793 8.0793 11.7121 11.7121 11.8403 11.8403 11.8812 11.8812 11.9100 11.9100 11.9549 11.9549 12.0299 12.0299 k = 0.5000-0.0000-0.0000 ( 2300 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4182 -29.4182 -29.3413 -29.3413 -28.6811 -28.6811 -28.6097 -28.6097 -28.4146 -28.4146 -28.2693 -28.2693 -8.0301 -8.0301 -7.7213 -7.7213 -7.6612 -7.6612 -7.2626 -7.2626 4.2123 4.2123 4.2467 4.2467 5.1343 5.1343 5.2280 5.2280 5.5058 5.5058 5.5689 5.5689 5.9765 5.9765 6.1205 6.1205 6.4101 6.4101 6.5028 6.5028 7.7925 7.7925 8.0800 8.0800 11.7135 11.7135 11.8584 11.8584 11.8814 11.8814 11.9024 11.9024 11.9575 11.9575 12.0184 12.0184 k = 0.0000 0.0000 0.3141 ( 2258 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3533 -29.3533 -29.2993 -29.2993 -28.5721 -28.5721 -28.5011 -28.5011 -28.4012 -28.4012 -28.2473 -28.2473 -8.4547 -8.4547 -8.3551 -8.3551 -7.5112 -7.5112 -7.4951 -7.4951 4.4306 4.4306 4.7414 4.7414 5.1308 5.1308 5.1653 5.1653 5.7669 5.7669 5.8577 5.8577 5.9009 5.9009 6.4481 6.4481 7.1778 7.1778 7.4461 7.4461 8.5648 8.5648 8.7477 8.7477 10.4872 10.4872 10.6299 10.6299 11.7704 11.7704 11.7732 11.7732 11.9730 11.9730 12.0438 12.0438 k = 0.0091-0.0000 0.3141 ( 2260 PWs) bands (ev): -54.9903 -54.9903 -54.9014 -54.9014 -29.3534 -29.3534 -29.2993 -29.2993 -28.5721 -28.5721 -28.5012 -28.5012 -28.4012 -28.4012 -28.2473 -28.2473 -8.4541 -8.4541 -8.3548 -8.3548 -7.5112 -7.5112 -7.4950 -7.4950 4.4316 4.4316 4.7420 4.7420 5.1302 5.1302 5.1628 5.1628 5.7653 5.7653 5.8566 5.8566 5.9051 5.9051 6.4488 6.4488 7.1754 7.1754 7.4427 7.4427 8.5657 8.5657 8.7480 8.7480 10.4883 10.4883 10.6310 10.6310 11.7695 11.7695 11.7725 11.7725 11.9738 11.9738 12.0442 12.0442 k = 0.0182-0.0000 0.3141 ( 2256 PWs) bands (ev): -54.9903 -54.9903 -54.9013 -54.9013 -29.3535 -29.3535 -29.2994 -29.2994 -28.5723 -28.5723 -28.5014 -28.5014 -28.4014 -28.4014 -28.2475 -28.2475 -8.4525 -8.4525 -8.3540 -8.3540 -7.5112 -7.5112 -7.4947 -7.4947 4.4346 4.4346 4.7436 4.7436 5.1282 5.1282 5.1557 5.1557 5.7613 5.7613 5.8535 5.8535 5.9169 5.9169 6.4509 6.4509 7.1686 7.1686 7.4328 7.4328 8.5684 8.5684 8.7489 8.7489 10.4917 10.4917 10.6343 10.6343 11.7667 11.7667 11.7704 11.7704 11.9761 11.9761 12.0455 12.0455 k = 0.0273-0.0000 0.3141 ( 2254 PWs) bands (ev): -54.9902 -54.9902 -54.9012 -54.9012 -29.3537 -29.3537 -29.2995 -29.2995 -28.5726 -28.5726 -28.5017 -28.5017 -28.4018 -28.4018 -28.2478 -28.2478 -8.4498 -8.4498 -8.3526 -8.3526 -7.5112 -7.5112 -7.4942 -7.4942 4.4395 4.4395 4.7463 4.7463 5.1249 5.1249 5.1442 5.1442 5.7563 5.7563 5.8484 5.8484 5.9346 5.9346 6.4538 6.4538 7.1576 7.1576 7.4166 7.4166 8.5728 8.5728 8.7502 8.7502 10.4972 10.4972 10.6398 10.6398 11.7620 11.7620 11.7670 11.7670 11.9799 11.9799 12.0475 12.0475 k = 0.0364-0.0000 0.3141 ( 2256 PWs) bands (ev): -54.9900 -54.9900 -54.9011 -54.9011 -29.3539 -29.3539 -29.2997 -29.2997 -28.5730 -28.5730 -28.5021 -28.5021 -28.4022 -28.4022 -28.2481 -28.2481 -8.4460 -8.4460 -8.3507 -8.3507 -7.5113 -7.5113 -7.4935 -7.4935 4.4464 4.4464 4.7498 4.7498 5.1202 5.1202 5.1289 5.1289 5.7513 5.7513 5.8418 5.8418 5.9563 5.9563 6.4571 6.4571 7.1430 7.1430 7.3946 7.3946 8.5784 8.5784 8.7518 8.7518 10.5048 10.5048 10.6474 10.6474 11.7557 11.7557 11.7623 11.7623 11.9850 11.9850 12.0503 12.0503 k = 0.0455-0.0000 0.3141 ( 2256 PWs) bands (ev): -54.9898 -54.9898 -54.9009 -54.9009 -29.3543 -29.3543 -29.2998 -29.2998 -28.5736 -28.5736 -28.5026 -28.5026 -28.4028 -28.4028 -28.2486 -28.2486 -8.4411 -8.4411 -8.3482 -8.3482 -7.5113 -7.5113 -7.4926 -7.4926 4.4552 4.4552 4.7541 4.7541 5.1105 5.1105 5.1143 5.1143 5.7471 5.7471 5.8341 5.8341 5.9807 5.9807 6.4598 6.4598 7.1257 7.1257 7.3676 7.3676 8.5849 8.5849 8.7536 8.7536 10.5145 10.5145 10.6569 10.6569 11.7480 11.7480 11.7566 11.7566 11.9911 11.9911 12.0538 12.0538 k = 0.0545-0.0000 0.3141 ( 2258 PWs) bands (ev): -54.9896 -54.9896 -54.9007 -54.9007 -29.3547 -29.3547 -29.3001 -29.3001 -28.5743 -28.5743 -28.5033 -28.5033 -28.4035 -28.4035 -28.2492 -28.2492 -8.4352 -8.4352 -8.3453 -8.3453 -7.5114 -7.5114 -7.4915 -7.4915 4.4659 4.4659 4.7587 4.7587 5.0902 5.0902 5.1068 5.1068 5.7440 5.7440 5.8255 5.8255 6.0065 6.0065 6.4608 6.4608 7.1067 7.1067 7.3364 7.3364 8.5918 8.5918 8.7553 8.7553 10.5260 10.5260 10.6681 10.6681 11.7390 11.7390 11.7498 11.7498 11.9983 11.9983 12.0579 12.0579 k = 0.0636-0.0000 0.3141 ( 2264 PWs) bands (ev): -54.9894 -54.9894 -54.9005 -54.9005 -29.3552 -29.3552 -29.3004 -29.3004 -28.5751 -28.5751 -28.5041 -28.5041 -28.4042 -28.4042 -28.2498 -28.2498 -8.4282 -8.4282 -8.3418 -8.3418 -7.5114 -7.5114 -7.4902 -7.4902 4.4785 4.4785 4.7633 4.7633 5.0687 5.0687 5.0979 5.0979 5.7421 5.7421 5.8166 5.8166 6.0328 6.0328 6.4589 6.4589 7.0874 7.0874 7.3018 7.3018 8.5989 8.5989 8.7568 8.7568 10.5392 10.5392 10.6809 10.6809 11.7290 11.7290 11.7421 11.7421 12.0063 12.0063 12.0626 12.0626 k = 0.0727-0.0000 0.3141 ( 2266 PWs) bands (ev): -54.9891 -54.9891 -54.9002 -54.9002 -29.3558 -29.3558 -29.3007 -29.3007 -28.5761 -28.5761 -28.5050 -28.5050 -28.4051 -28.4051 -28.2506 -28.2506 -8.4203 -8.4203 -8.3379 -8.3379 -7.5115 -7.5115 -7.4887 -7.4887 4.4928 4.4928 4.7672 4.7672 5.0471 5.0471 5.0876 5.0876 5.7411 5.7411 5.8076 5.8076 6.0588 6.0588 6.4530 6.4530 7.0690 7.0690 7.2650 7.2650 8.6057 8.6057 8.7578 8.7578 10.5539 10.5539 10.6950 10.6950 11.7181 11.7181 11.7337 11.7337 12.0149 12.0149 12.0678 12.0678 k = 0.0818-0.0000 0.3141 ( 2268 PWs) bands (ev): -54.9887 -54.9887 -54.8999 -54.8999 -29.3565 -29.3565 -29.3011 -29.3011 -28.5772 -28.5772 -28.5060 -28.5060 -28.4060 -28.4060 -28.2514 -28.2514 -8.4113 -8.4113 -8.3335 -8.3335 -7.5115 -7.5115 -7.4869 -7.4869 4.5088 4.5088 4.7697 4.7697 5.0269 5.0269 5.0759 5.0759 5.7411 5.7411 5.7987 5.7987 6.0834 6.0834 6.4419 6.4419 7.0531 7.0531 7.2269 7.2269 8.6119 8.6119 8.7581 8.7581 10.5700 10.5700 10.7102 10.7102 11.7066 11.7066 11.7246 11.7246 12.0242 12.0242 12.0735 12.0735 k = 0.0909-0.0000 0.3141 ( 2268 PWs) bands (ev): -54.9884 -54.9884 -54.8996 -54.8996 -29.3572 -29.3572 -29.3015 -29.3015 -28.5784 -28.5784 -28.5072 -28.5072 -28.4071 -28.4071 -28.2522 -28.2522 -8.4014 -8.4014 -8.3287 -8.3287 -7.5116 -7.5116 -7.4848 -7.4848 4.5265 4.5265 4.7694 4.7694 5.0094 5.0094 5.0629 5.0629 5.7418 5.7418 5.7902 5.7902 6.1060 6.1060 6.4246 6.4246 7.0406 7.0406 7.1887 7.1887 8.6172 8.6172 8.7576 8.7576 10.5871 10.5871 10.7262 10.7262 11.6946 11.6946 11.7149 11.7149 12.0339 12.0339 12.0796 12.0796 k = 0.1000-0.0000 0.3141 ( 2268 PWs) bands (ev): -54.9880 -54.9880 -54.8992 -54.8992 -29.3581 -29.3581 -29.3020 -29.3020 -28.5798 -28.5798 -28.5084 -28.5084 -28.4081 -28.4081 -28.2531 -28.2531 -8.3905 -8.3905 -8.3235 -8.3235 -7.5117 -7.5117 -7.4825 -7.4825 4.5456 4.5456 4.7654 4.7654 4.9960 4.9960 5.0487 5.0487 5.7430 5.7430 5.7821 5.7821 6.1256 6.1256 6.4009 6.4009 7.0324 7.0324 7.1516 7.1516 8.6213 8.6213 8.7562 8.7562 10.6050 10.6050 10.7427 10.7427 11.6823 11.6823 11.7050 11.7050 12.0441 12.0441 12.0861 12.0861 k = 0.1091-0.0000 0.3141 ( 2274 PWs) bands (ev): -54.9876 -54.9876 -54.8988 -54.8988 -29.3590 -29.3590 -29.3025 -29.3025 -28.5814 -28.5814 -28.5098 -28.5098 -28.4092 -28.4092 -28.2541 -28.2541 -8.3788 -8.3788 -8.3180 -8.3180 -7.5117 -7.5117 -7.4799 -7.4799 4.5662 4.5662 4.7567 4.7567 4.9880 4.9880 5.0333 5.0333 5.7444 5.7444 5.7742 5.7742 6.1414 6.1414 6.3708 6.3708 7.0288 7.0288 7.1168 7.1168 8.6242 8.6242 8.7537 8.7537 10.6235 10.6235 10.7594 10.7594 11.6698 11.6698 11.6947 11.6947 12.0546 12.0546 12.0931 12.0931 k = 0.1182-0.0000 0.3141 ( 2274 PWs) bands (ev): -54.9871 -54.9871 -54.8983 -54.8983 -29.3599 -29.3599 -29.3030 -29.3030 -28.5831 -28.5831 -28.5114 -28.5114 -28.4103 -28.4103 -28.2551 -28.2551 -8.3661 -8.3661 -8.3122 -8.3122 -7.5118 -7.5118 -7.4770 -7.4770 4.5880 4.5880 4.7430 4.7430 4.9856 4.9856 5.0170 5.0170 5.7459 5.7459 5.7663 5.7663 6.1528 6.1528 6.3351 6.3351 7.0295 7.0295 7.0856 7.0856 8.6257 8.6257 8.7499 8.7499 10.6424 10.6424 10.7760 10.7760 11.6574 11.6574 11.6844 11.6844 12.0654 12.0654 12.1004 12.1004 k = 0.1273-0.0000 0.3141 ( 2274 PWs) bands (ev): -54.9866 -54.9866 -54.8979 -54.8979 -29.3610 -29.3610 -29.3036 -29.3036 -28.5850 -28.5850 -28.5130 -28.5130 -28.4114 -28.4114 -28.2561 -28.2561 -8.3526 -8.3526 -8.3061 -8.3061 -7.5119 -7.5119 -7.4739 -7.4739 4.6108 4.6108 4.7249 4.7249 4.9882 4.9882 5.0002 5.0002 5.7471 5.7471 5.7580 5.7580 6.1590 6.1590 6.2952 6.2952 7.0340 7.0340 7.0592 7.0592 8.6257 8.6257 8.7449 8.7449 10.6613 10.6613 10.7923 10.7923 11.6451 11.6451 11.6741 11.6741 12.0764 12.0764 12.1083 12.1083 k = 0.1364-0.0000 0.3141 ( 2274 PWs) bands (ev): -54.9861 -54.9861 -54.8974 -54.8974 -29.3621 -29.3621 -29.3043 -29.3043 -28.5870 -28.5870 -28.5148 -28.5148 -28.4125 -28.4125 -28.2571 -28.2571 -8.3383 -8.3383 -8.2998 -8.2998 -7.5119 -7.5119 -7.4703 -7.4703 4.6344 4.6344 4.7035 4.7035 4.9824 4.9824 4.9953 4.9953 5.7474 5.7474 5.7488 5.7488 6.1597 6.1597 6.2527 6.2527 7.0368 7.0368 7.0432 7.0432 8.6242 8.6242 8.7386 8.7386 10.6799 10.6799 10.8079 10.8079 11.6332 11.6332 11.6641 11.6641 12.0874 12.0874 12.1167 12.1167 k = 0.1455-0.0000 0.3141 ( 2276 PWs) bands (ev): -54.9855 -54.9855 -54.8969 -54.8969 -29.3633 -29.3633 -29.3050 -29.3050 -28.5892 -28.5892 -28.5167 -28.5167 -28.4136 -28.4136 -28.2581 -28.2581 -8.3233 -8.3233 -8.2933 -8.2933 -7.5120 -7.5120 -7.4665 -7.4665 4.6583 4.6583 4.6799 4.6799 4.9651 4.9651 5.0046 5.0046 5.7370 5.7370 5.7473 5.7473 6.1550 6.1550 6.2096 6.2096 7.0228 7.0228 7.0527 7.0527 8.6211 8.6211 8.7310 8.7310 10.6980 10.6980 10.8225 10.8225 11.6219 11.6219 11.6544 11.6544 12.0983 12.0983 12.1258 12.1258 k = 0.1545-0.0000 0.3141 ( 2276 PWs) bands (ev): -54.9849 -54.9849 -54.8963 -54.8963 -29.3646 -29.3646 -29.3057 -29.3057 -28.5916 -28.5916 -28.5187 -28.5187 -28.4146 -28.4146 -28.2592 -28.2592 -8.3076 -8.3076 -8.2866 -8.2866 -7.5121 -7.5121 -7.4623 -7.4623 4.6549 4.6549 4.6820 4.6820 4.9482 4.9482 5.0157 5.0157 5.7221 5.7221 5.7454 5.7454 6.1446 6.1446 6.1690 6.1690 7.0144 7.0144 7.0650 7.0650 8.6164 8.6164 8.7219 8.7219 10.7152 10.7152 10.8359 10.8359 11.6114 11.6114 11.6453 11.6453 12.1089 12.1089 12.1358 12.1358 k = 0.1636-0.0000 0.3141 ( 2270 PWs) bands (ev): -54.9843 -54.9843 -54.8957 -54.8957 -29.3660 -29.3660 -29.3065 -29.3065 -28.5941 -28.5941 -28.5209 -28.5209 -28.4156 -28.4156 -28.2602 -28.2602 -8.2912 -8.2912 -8.2798 -8.2798 -7.5122 -7.5122 -7.4577 -7.4577 4.6294 4.6294 4.7047 4.7047 4.9326 4.9326 5.0274 5.0274 5.7025 5.7025 5.7418 5.7418 6.1232 6.1232 6.1396 6.1396 7.0120 7.0120 7.0786 7.0786 8.6102 8.6102 8.7115 8.7115 10.7314 10.7314 10.8478 10.8478 11.6018 11.6018 11.6368 11.6368 12.1192 12.1192 12.1466 12.1466 k = 0.1727-0.0000 0.3141 ( 2276 PWs) bands (ev): -54.9837 -54.9837 -54.8952 -54.8952 -29.3674 -29.3674 -29.3073 -29.3073 -28.5968 -28.5968 -28.5231 -28.5231 -28.4166 -28.4166 -28.2611 -28.2611 -8.2749 -8.2749 -8.2723 -8.2723 -7.5123 -7.5123 -7.4528 -7.4528 4.6037 4.6037 4.7250 4.7250 4.9193 4.9193 5.0388 5.0388 5.6768 5.6768 5.7359 5.7359 6.0931 6.0931 6.1226 6.1226 7.0151 7.0151 7.0932 7.0932 8.6026 8.6026 8.6998 8.6998 10.7460 10.7460 10.8579 10.8579 11.5934 11.5934 11.6292 11.6292 12.1290 12.1290 12.1583 12.1583 k = 0.1818-0.0000 0.3141 ( 2280 PWs) bands (ev): -54.9831 -54.9831 -54.8946 -54.8946 -29.3689 -29.3689 -29.3082 -29.3082 -28.5996 -28.5996 -28.5255 -28.5255 -28.4174 -28.4174 -28.2621 -28.2621 -8.2665 -8.2665 -8.2563 -8.2563 -7.5124 -7.5124 -7.4475 -7.4475 4.5783 4.5783 4.7411 4.7411 4.9102 4.9102 5.0489 5.0489 5.6445 5.6445 5.7276 5.7276 6.0680 6.0680 6.1075 6.1075 7.0230 7.0230 7.1082 7.1082 8.5934 8.5934 8.6866 8.6866 10.7590 10.7590 10.8660 10.8660 11.5865 11.5865 11.6226 11.6226 12.1385 12.1385 12.1707 12.1707 k = 0.1909-0.0000 0.3141 ( 2286 PWs) bands (ev): -54.9824 -54.9824 -54.8940 -54.8940 -29.3705 -29.3705 -29.3091 -29.3091 -28.6026 -28.6026 -28.5280 -28.5280 -28.4182 -28.4182 -28.2630 -28.2630 -8.2596 -8.2596 -8.2382 -8.2382 -7.5125 -7.5125 -7.4417 -7.4417 4.5534 4.5534 4.7507 4.7507 4.9070 4.9070 5.0566 5.0566 5.6060 5.6060 5.7168 5.7168 6.0502 6.0502 6.0941 6.0941 7.0349 7.0349 7.1236 7.1236 8.5829 8.5829 8.6722 8.6722 10.7699 10.7699 10.8719 10.8719 11.5813 11.5813 11.6171 11.6171 12.1477 12.1477 12.1839 12.1839 k = 0.2000-0.0000 0.3141 ( 2286 PWs) bands (ev): -54.9818 -54.9818 -54.8933 -54.8933 -29.3721 -29.3721 -29.3100 -29.3100 -28.6056 -28.6056 -28.5306 -28.5306 -28.4189 -28.4189 -28.2638 -28.2638 -8.2529 -8.2529 -8.2197 -8.2197 -7.5125 -7.5125 -7.4356 -7.4356 4.5293 4.5293 4.7524 4.7524 4.9104 4.9104 5.0610 5.0610 5.5625 5.5625 5.7042 5.7042 6.0394 6.0394 6.0834 6.0834 7.0500 7.0500 7.1389 7.1389 8.5711 8.5711 8.6564 8.6564 10.7786 10.7786 10.8756 10.8756 11.5778 11.5778 11.6127 11.6127 12.1568 12.1568 12.1976 12.1976 k = 0.2091-0.0000 0.3141 ( 2284 PWs) bands (ev): -54.9811 -54.9811 -54.8927 -54.8927 -29.3738 -29.3738 -29.3110 -29.3110 -28.6088 -28.6088 -28.5333 -28.5333 -28.4195 -28.4195 -28.2646 -28.2646 -8.2463 -8.2463 -8.2007 -8.2007 -7.5126 -7.5126 -7.4291 -7.4291 4.5060 4.5060 4.7470 4.7470 4.9189 4.9189 5.0609 5.0609 5.5165 5.5165 5.6905 5.6905 6.0347 6.0347 6.0762 6.0762 7.0675 7.0675 7.1542 7.1542 8.5580 8.5580 8.6394 8.6394 10.7849 10.7849 10.8768 10.8768 11.5764 11.5764 11.6096 11.6096 12.1658 12.1658 12.2118 12.2118 k = 0.2182-0.0000 0.3141 ( 2280 PWs) bands (ev): -54.9804 -54.9804 -54.8920 -54.8920 -29.3756 -29.3756 -29.3121 -29.3121 -28.6121 -28.6121 -28.5360 -28.5360 -28.4200 -28.4200 -28.2653 -28.2653 -8.2399 -8.2399 -8.1814 -8.1814 -7.5127 -7.5127 -7.4222 -7.4222 4.4838 4.4838 4.7366 4.7366 4.9288 4.9288 5.0553 5.0553 5.4707 5.4707 5.6772 5.6772 6.0350 6.0350 6.0726 6.0726 7.0868 7.0868 7.1692 7.1692 8.5438 8.5438 8.6211 8.6211 10.7886 10.7886 10.8756 10.8756 11.5770 11.5770 11.6078 11.6078 12.1747 12.1747 12.2262 12.2262 k = 0.2273-0.0000 0.3141 ( 2282 PWs) bands (ev): -54.9797 -54.9797 -54.8914 -54.8914 -29.3774 -29.3774 -29.3131 -29.3131 -28.6155 -28.6155 -28.5389 -28.5389 -28.4205 -28.4205 -28.2660 -28.2660 -8.2336 -8.2336 -8.1618 -8.1618 -7.5127 -7.5127 -7.4149 -7.4149 4.4626 4.4626 4.7232 4.7232 4.9362 4.9362 5.0434 5.0434 5.4282 5.4282 5.6654 5.6654 6.0393 6.0393 6.0729 6.0729 7.1074 7.1074 7.1839 7.1839 8.5285 8.5285 8.6017 8.6017 10.7896 10.7896 10.8719 10.8719 11.5798 11.5798 11.6071 11.6071 12.1836 12.1836 12.2410 12.2410 k = 0.2364-0.0000 0.3141 ( 2280 PWs) bands (ev): -54.9790 -54.9790 -54.8907 -54.8907 -29.3792 -29.3792 -29.3142 -29.3142 -28.6189 -28.6189 -28.5418 -28.5418 -28.4208 -28.4208 -28.2666 -28.2666 -8.2276 -8.2276 -8.1420 -8.1420 -7.5128 -7.5128 -7.4072 -7.4072 4.4427 4.4427 4.7082 4.7082 4.9370 4.9370 5.0248 5.0248 5.3927 5.3927 5.6562 5.6562 6.0468 6.0468 6.0766 6.0766 7.1289 7.1289 7.1982 7.1982 8.5122 8.5122 8.5812 8.5812 10.7880 10.7880 10.8659 10.8659 11.5847 11.5847 11.6077 11.6077 12.1925 12.1925 12.2559 12.2559 k = 0.2455-0.0000 0.3141 ( 2284 PWs) bands (ev): -54.9782 -54.9782 -54.8900 -54.8900 -29.3811 -29.3811 -29.3153 -29.3153 -28.6224 -28.6224 -28.5448 -28.5448 -28.4210 -28.4210 -28.2672 -28.2672 -8.2218 -8.2218 -8.1221 -8.1221 -7.5129 -7.5129 -7.3992 -7.3992 4.4239 4.4239 4.6924 4.6924 4.9279 4.9279 4.9995 4.9995 5.3675 5.3675 5.6501 5.6501 6.0569 6.0569 6.0837 6.0837 7.1507 7.1507 7.2122 7.2122 8.4950 8.4950 8.5596 8.5596 10.7837 10.7837 10.8575 10.8575 11.5917 11.5917 11.6094 11.6094 12.2014 12.2014 12.2710 12.2710 k = 0.2545-0.0000 0.3141 ( 2286 PWs) bands (ev): -54.9775 -54.9775 -54.8894 -54.8894 -29.3831 -29.3831 -29.3165 -29.3165 -28.6259 -28.6259 -28.5478 -28.5478 -28.4212 -28.4212 -28.2677 -28.2677 -8.2163 -8.2163 -8.1021 -8.1021 -7.5129 -7.5129 -7.3908 -7.3908 4.4063 4.4063 4.6763 4.6763 4.9069 4.9069 4.9680 4.9680 5.3543 5.3543 5.6471 5.6471 6.0693 6.0693 6.0938 6.0938 7.1727 7.1727 7.2257 7.2257 8.4770 8.4770 8.5370 8.5370 10.7769 10.7769 10.8471 10.8471 11.6005 11.6005 11.6121 11.6121 12.2103 12.2103 12.2861 12.2861 k = 0.2636-0.0000 0.3141 ( 2282 PWs) bands (ev): -54.9768 -54.9768 -54.8887 -54.8887 -29.3851 -29.3851 -29.3177 -29.3177 -28.6295 -28.6295 -28.5508 -28.5508 -28.4213 -28.4213 -28.2681 -28.2681 -8.2110 -8.2110 -8.0820 -8.0820 -7.5129 -7.5129 -7.3821 -7.3821 4.3900 4.3900 4.6602 4.6602 4.8746 4.8746 4.9312 4.9312 5.3529 5.3529 5.6467 5.6467 6.0837 6.0837 6.1068 6.1068 7.1946 7.1946 7.2389 7.2389 8.4584 8.4584 8.5135 8.5135 10.7678 10.7678 10.8346 10.8346 11.6105 11.6105 11.6162 11.6162 12.2192 12.2192 12.3013 12.3013 k = 0.2727-0.0000 0.3141 ( 2284 PWs) bands (ev): -54.9761 -54.9761 -54.8880 -54.8880 -29.3870 -29.3870 -29.3189 -29.3189 -28.6330 -28.6330 -28.5539 -28.5539 -28.4213 -28.4213 -28.2685 -28.2685 -8.2061 -8.2061 -8.0620 -8.0620 -7.5129 -7.5129 -7.3732 -7.3732 4.3748 4.3748 4.6440 4.6440 4.8334 4.8334 4.8901 4.8901 5.3610 5.3610 5.6482 5.6482 6.1000 6.1000 6.1225 6.1225 7.2161 7.2161 7.2517 7.2517 8.4392 8.4392 8.4892 8.4892 10.7565 10.7565 10.8204 10.8204 11.6179 11.6179 11.6250 11.6250 12.2280 12.2280 12.3164 12.3164 k = 0.2818-0.0000 0.3141 ( 2290 PWs) bands (ev): -54.9754 -54.9754 -54.8874 -54.8874 -29.3891 -29.3891 -29.3201 -29.3201 -28.6366 -28.6366 -28.5570 -28.5570 -28.4213 -28.4213 -28.2688 -28.2688 -8.2014 -8.2014 -8.0422 -8.0422 -7.5128 -7.5128 -7.3640 -7.3640 4.3609 4.3609 4.6275 4.6275 4.7866 4.7866 4.8457 4.8457 5.3759 5.3759 5.6508 5.6508 6.1181 6.1181 6.1409 6.1409 7.2370 7.2370 7.2641 7.2641 8.4197 8.4197 8.4641 8.4641 10.7432 10.7432 10.8047 10.8047 11.6229 11.6229 11.6382 11.6382 12.2368 12.2368 12.3314 12.3314 k = 0.2909-0.0000 0.3141 ( 2294 PWs) bands (ev): -54.9747 -54.9747 -54.8867 -54.8867 -29.3911 -29.3911 -29.3213 -29.3213 -28.6401 -28.6401 -28.5600 -28.5600 -28.4211 -28.4211 -28.2691 -28.2691 -8.1970 -8.1970 -8.0225 -8.0225 -7.5128 -7.5128 -7.3546 -7.3546 4.3481 4.3481 4.6100 4.6100 4.7374 4.7374 4.7992 4.7992 5.3949 5.3949 5.6538 5.6538 6.1379 6.1379 6.1619 6.1619 7.2570 7.2570 7.2761 7.2761 8.3998 8.3998 8.4383 8.4383 10.7283 10.7283 10.7875 10.7875 11.6279 11.6279 11.6528 11.6528 12.2455 12.2455 12.3463 12.3463 k = 0.3000-0.0000 0.3141 ( 2294 PWs) bands (ev): -54.9740 -54.9740 -54.8861 -54.8861 -29.3931 -29.3931 -29.3226 -29.3226 -28.6436 -28.6436 -28.5631 -28.5631 -28.4209 -28.4209 -28.2693 -28.2693 -8.1930 -8.1930 -8.0030 -8.0030 -7.5127 -7.5127 -7.3450 -7.3450 4.3364 4.3364 4.5896 4.5896 4.6895 4.6895 4.7512 4.7512 5.4163 5.4163 5.6567 5.6567 6.1592 6.1592 6.1856 6.1856 7.2761 7.2761 7.2877 7.2877 8.3798 8.3798 8.4120 8.4120 10.7119 10.7119 10.7693 10.7693 11.6330 11.6330 11.6683 11.6683 12.2542 12.2542 12.3610 12.3610 k = 0.3091-0.0000 0.3141 ( 2296 PWs) bands (ev): -54.9734 -54.9734 -54.8854 -54.8854 -29.3951 -29.3951 -29.3238 -29.3238 -28.6470 -28.6470 -28.5661 -28.5661 -28.4207 -28.4207 -28.2695 -28.2695 -8.1892 -8.1892 -7.9840 -7.9840 -7.5126 -7.5126 -7.3353 -7.3353 4.3257 4.3257 4.5624 4.5624 4.6484 4.6484 4.7028 4.7028 5.4386 5.4386 5.6588 5.6588 6.1821 6.1821 6.2118 6.2118 7.2936 7.2936 7.2992 7.2992 8.3599 8.3599 8.3852 8.3852 10.6943 10.6943 10.7500 10.7500 11.6382 11.6382 11.6845 11.6845 12.2627 12.2627 12.3755 12.3755 k = 0.3182-0.0000 0.3141 ( 2292 PWs) bands (ev): -54.9727 -54.9727 -54.8848 -54.8848 -29.3972 -29.3972 -29.3250 -29.3250 -28.6503 -28.6503 -28.5690 -28.5690 -28.4204 -28.4204 -28.2696 -28.2696 -8.1858 -8.1858 -7.9653 -7.9653 -7.5124 -7.5124 -7.3256 -7.3256 4.3159 4.3159 4.5244 4.5244 4.6187 4.6187 4.6546 4.6546 5.4609 5.4609 5.6600 5.6600 6.2065 6.2065 6.2404 6.2404 7.3077 7.3077 7.3122 7.3122 8.3402 8.3402 8.3582 8.3582 10.6757 10.6757 10.7301 10.7301 11.6434 11.6434 11.7012 11.7012 12.2711 12.2711 12.3897 12.3897 k = 0.3273-0.0000 0.3141 ( 2294 PWs) bands (ev): -54.9721 -54.9721 -54.8842 -54.8842 -29.3991 -29.3991 -29.3262 -29.3262 -28.6536 -28.6536 -28.5719 -28.5719 -28.4201 -28.4201 -28.2697 -28.2697 -8.1827 -8.1827 -7.9470 -7.9470 -7.5122 -7.5122 -7.3158 -7.3158 4.3068 4.3068 4.4782 4.4782 4.5982 4.5982 4.6078 4.6078 5.4825 5.4825 5.6601 5.6601 6.2325 6.2325 6.2713 6.2713 7.3183 7.3183 7.3265 7.3265 8.3207 8.3207 8.3311 8.3311 10.6564 10.6564 10.7096 10.7096 11.6485 11.6485 11.7180 11.7180 12.2793 12.2793 12.4035 12.4035 k = 0.3364-0.0000 0.3141 ( 2290 PWs) bands (ev): -54.9714 -54.9714 -54.8836 -54.8836 -29.4011 -29.4011 -29.3275 -29.3275 -28.6568 -28.6568 -28.5748 -28.5748 -28.4198 -28.4198 -28.2697 -28.2697 -8.1798 -8.1798 -7.9293 -7.9293 -7.5119 -7.5119 -7.3061 -7.3061 4.2980 4.2980 4.4284 4.4284 4.5604 4.5604 4.5854 4.5854 5.5028 5.5028 5.6590 5.6590 6.2601 6.2601 6.3041 6.3041 7.3277 7.3277 7.3395 7.3395 8.3010 8.3010 8.3049 8.3049 10.6366 10.6366 10.6889 10.6889 11.6534 11.6534 11.7349 11.7349 12.2873 12.2873 12.4169 12.4169 k = 0.3455-0.0000 0.3141 ( 2292 PWs) bands (ev): -54.9708 -54.9708 -54.8830 -54.8830 -29.4030 -29.4030 -29.3286 -29.3286 -28.6598 -28.6598 -28.5775 -28.5775 -28.4194 -28.4194 -28.2698 -28.2698 -8.1773 -8.1773 -7.9122 -7.9122 -7.5116 -7.5116 -7.2965 -7.2965 4.2894 4.2894 4.3781 4.3781 4.5167 4.5167 4.5740 4.5740 5.5215 5.5215 5.6567 5.6567 6.2892 6.2892 6.3387 6.3387 7.3362 7.3362 7.3506 7.3506 8.2759 8.2759 8.2850 8.2850 10.6164 10.6164 10.6679 10.6679 11.6581 11.6581 11.7515 11.7515 12.2951 12.2951 12.4299 12.4299 k = 0.3545-0.0000 0.3141 ( 2296 PWs) bands (ev): -54.9703 -54.9703 -54.8825 -54.8825 -29.4049 -29.4049 -29.3298 -29.3298 -28.6627 -28.6627 -28.5801 -28.5801 -28.4191 -28.4191 -28.2697 -28.2697 -8.1749 -8.1749 -7.8958 -7.8958 -7.5113 -7.5113 -7.2871 -7.2871 4.2802 4.2802 4.3287 4.3287 4.4758 4.4758 4.5646 4.5646 5.5383 5.5383 5.6533 5.6533 6.3198 6.3198 6.3747 6.3747 7.3436 7.3436 7.3595 7.3595 8.2494 8.2494 8.2679 8.2679 10.5961 10.5961 10.6470 10.6470 11.6625 11.6625 11.7679 11.7679 12.3026 12.3026 12.4424 12.4424 k = 0.3636-0.0000 0.3141 ( 2300 PWs) bands (ev): -54.9697 -54.9697 -54.8820 -54.8820 -29.4067 -29.4067 -29.3309 -29.3309 -28.6655 -28.6655 -28.5827 -28.5827 -28.4187 -28.4187 -28.2697 -28.2697 -8.1729 -8.1729 -7.8801 -7.8801 -7.5109 -7.5109 -7.2779 -7.2779 4.2695 4.2695 4.2810 4.2810 4.4388 4.4388 4.5567 4.5567 5.5531 5.5531 5.6490 5.6490 6.3518 6.3518 6.4120 6.4120 7.3498 7.3498 7.3660 7.3660 8.2233 8.2233 8.2521 8.2521 10.5759 10.5759 10.6263 10.6263 11.6666 11.6666 11.7837 11.7837 12.3098 12.3098 12.4543 12.4543 k = 0.3727-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9692 -54.9692 -54.8815 -54.8815 -29.4085 -29.4085 -29.3320 -29.3320 -28.6682 -28.6682 -28.5851 -28.5851 -28.4183 -28.4183 -28.2696 -28.2696 -8.1710 -8.1710 -7.8651 -7.8651 -7.5104 -7.5104 -7.2689 -7.2689 4.2346 4.2346 4.2573 4.2573 4.4069 4.4069 4.5499 4.5499 5.5658 5.5658 5.6439 5.6439 6.3851 6.3851 6.4502 6.4502 7.3547 7.3547 7.3699 7.3699 8.1979 8.1979 8.2378 8.2378 10.5559 10.5559 10.6060 10.6060 11.6704 11.6704 11.7990 11.7990 12.3167 12.3167 12.4656 12.4656 k = 0.3818-0.0000 0.3141 ( 2308 PWs) bands (ev): -54.9687 -54.9687 -54.8810 -54.8810 -29.4101 -29.4101 -29.3331 -29.3331 -28.6707 -28.6707 -28.5874 -28.5874 -28.4179 -28.4179 -28.2696 -28.2696 -8.1694 -8.1694 -7.8510 -7.8510 -7.5099 -7.5099 -7.2603 -7.2603 4.1911 4.1911 4.2411 4.2411 4.3812 4.3812 4.5441 4.5441 5.5764 5.5764 5.6383 5.6383 6.4194 6.4194 6.4892 6.4892 7.3579 7.3579 7.3712 7.3712 8.1736 8.1736 8.2249 8.2249 10.5364 10.5364 10.5862 10.5862 11.6738 11.6738 11.8135 11.8135 12.3233 12.3233 12.4763 12.4763 k = 0.3909-0.0000 0.3141 ( 2306 PWs) bands (ev): -54.9682 -54.9682 -54.8806 -54.8806 -29.4117 -29.4117 -29.3341 -29.3341 -28.6731 -28.6731 -28.5895 -28.5895 -28.4175 -28.4175 -28.2695 -28.2695 -8.1680 -8.1680 -7.8378 -7.8378 -7.5094 -7.5094 -7.2521 -7.2521 4.1501 4.1501 4.2214 4.2214 4.3622 4.3622 4.5391 4.5391 5.5847 5.5847 5.6327 5.6327 6.4544 6.4544 6.5285 6.5285 7.3591 7.3591 7.3699 7.3699 8.1505 8.1505 8.2136 8.2136 10.5176 10.5176 10.5672 10.5672 11.6769 11.6769 11.8273 11.8273 12.3295 12.3295 12.4863 12.4863 k = 0.4000-0.0000 0.3141 ( 2308 PWs) bands (ev): -54.9678 -54.9678 -54.8802 -54.8802 -29.4132 -29.4132 -29.3350 -29.3350 -28.6753 -28.6753 -28.5915 -28.5915 -28.4171 -28.4171 -28.2694 -28.2694 -8.1668 -8.1668 -7.8255 -7.8255 -7.5088 -7.5088 -7.2443 -7.2443 4.1119 4.1119 4.1989 4.1989 4.3491 4.3491 4.5348 4.5348 5.5907 5.5907 5.6274 5.6274 6.4900 6.4900 6.5681 6.5681 7.3577 7.3577 7.3665 7.3665 8.1289 8.1289 8.2039 8.2039 10.4995 10.4995 10.5490 10.5490 11.6797 11.6797 11.8402 11.8402 12.3353 12.3353 12.4956 12.4956 k = 0.4091-0.0000 0.3141 ( 2314 PWs) bands (ev): -54.9674 -54.9674 -54.8798 -54.8798 -29.4146 -29.4146 -29.3359 -29.3359 -28.6773 -28.6773 -28.5934 -28.5934 -28.4168 -28.4168 -28.2693 -28.2693 -8.1657 -8.1657 -7.8142 -7.8142 -7.5083 -7.5083 -7.2370 -7.2370 4.0765 4.0765 4.1749 4.1749 4.3405 4.3405 4.5312 4.5312 5.5937 5.5937 5.6233 5.6233 6.5256 6.5256 6.6075 6.6075 7.3527 7.3527 7.3621 7.3621 8.1089 8.1089 8.1958 8.1958 10.4823 10.4823 10.5318 10.5318 11.6822 11.6822 11.8521 11.8521 12.3406 12.3406 12.5042 12.5042 k = 0.4182-0.0000 0.3141 ( 2310 PWs) bands (ev): -54.9670 -54.9670 -54.8795 -54.8795 -29.4159 -29.4159 -29.3367 -29.3367 -28.6791 -28.6791 -28.5951 -28.5951 -28.4164 -28.4164 -28.2692 -28.2692 -8.1648 -8.1648 -7.8039 -7.8039 -7.5077 -7.5077 -7.2302 -7.2302 4.0442 4.0442 4.1510 4.1510 4.3351 4.3351 4.5282 4.5282 5.5936 5.5936 5.6211 5.6211 6.5610 6.5610 6.6465 6.6465 7.3437 7.3437 7.3569 7.3569 8.0909 8.0909 8.1892 8.1892 10.4663 10.4663 10.5158 10.5158 11.6843 11.6843 11.8630 11.8630 12.3456 12.3456 12.5120 12.5120 k = 0.4273-0.0000 0.3141 ( 2308 PWs) bands (ev): -54.9667 -54.9667 -54.8791 -54.8791 -29.4171 -29.4171 -29.3374 -29.3374 -28.6808 -28.6808 -28.5966 -28.5966 -28.4161 -28.4161 -28.2691 -28.2691 -8.1640 -8.1640 -7.7946 -7.7946 -7.5071 -7.5071 -7.2241 -7.2241 4.0150 4.0150 4.1281 4.1281 4.3317 4.3317 4.5257 4.5257 5.5907 5.5907 5.6207 5.6207 6.5956 6.5956 6.6849 6.6849 7.3316 7.3316 7.3506 7.3506 8.0748 8.0748 8.1840 8.1840 10.4515 10.4515 10.5011 10.5011 11.6862 11.6862 11.8728 11.8728 12.3501 12.3501 12.5191 12.5191 k = 0.4364-0.0000 0.3141 ( 2310 PWs) bands (ev): -54.9664 -54.9664 -54.8789 -54.8789 -29.4181 -29.4181 -29.3381 -29.3381 -28.6822 -28.6822 -28.5980 -28.5980 -28.4158 -28.4158 -28.2690 -28.2690 -8.1634 -8.1634 -7.7863 -7.7863 -7.5065 -7.5065 -7.2185 -7.2185 3.9890 3.9890 4.1070 4.1070 4.3297 4.3297 4.5237 4.5237 5.5862 5.5862 5.6213 5.6213 6.6289 6.6289 6.7220 6.7220 7.3172 7.3172 7.3429 7.3429 8.0608 8.0608 8.1801 8.1801 10.4381 10.4381 10.4877 10.4877 11.6877 11.6877 11.8816 11.8816 12.3540 12.3540 12.5253 12.5253 k = 0.4455-0.0000 0.3141 ( 2310 PWs) bands (ev): -54.9661 -54.9661 -54.8786 -54.8786 -29.4191 -29.4191 -29.3387 -29.3387 -28.6835 -28.6835 -28.5992 -28.5992 -28.4156 -28.4156 -28.2689 -28.2689 -8.1628 -8.1628 -7.7792 -7.7792 -7.5059 -7.5059 -7.2136 -7.2136 3.9663 3.9663 4.0881 4.0881 4.3287 4.3287 4.5220 4.5220 5.5814 5.5814 5.6221 5.6221 6.6603 6.6603 6.7576 6.7576 7.3011 7.3011 7.3341 7.3341 8.0488 8.0488 8.1772 8.1772 10.4263 10.4263 10.4760 10.4760 11.6891 11.6891 11.8892 11.8892 12.3575 12.3575 12.5308 12.5308 k = 0.4545-0.0000 0.3141 ( 2306 PWs) bands (ev): -54.9659 -54.9659 -54.8784 -54.8784 -29.4198 -29.4198 -29.3392 -29.3392 -28.6846 -28.6846 -28.6002 -28.6002 -28.4154 -28.4154 -28.2688 -28.2688 -8.1624 -8.1624 -7.7731 -7.7731 -7.5054 -7.5054 -7.2094 -7.2094 3.9471 3.9471 4.0718 4.0718 4.3282 4.3282 4.5208 4.5208 5.5767 5.5767 5.6228 5.6228 6.6891 6.6891 6.7909 6.7909 7.2841 7.2841 7.3246 7.3246 8.0390 8.0390 8.1751 8.1751 10.4160 10.4160 10.4658 10.4658 11.6902 11.6902 11.8957 11.8957 12.3605 12.3605 12.5354 12.5354 k = 0.4636-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9657 -54.9657 -54.8782 -54.8782 -29.4205 -29.4205 -29.3396 -29.3396 -28.6855 -28.6855 -28.6010 -28.6010 -28.4152 -28.4152 -28.2688 -28.2688 -8.1620 -8.1620 -7.7681 -7.7681 -7.5050 -7.5050 -7.2060 -7.2060 3.9312 3.9312 4.0582 4.0582 4.3281 4.3281 4.5198 4.5198 5.5725 5.5725 5.6233 5.6233 6.7145 6.7145 6.8211 6.8211 7.2671 7.2671 7.3150 7.3150 8.0311 8.0311 8.1738 8.1738 10.4075 10.4075 10.4574 10.4574 11.6911 11.6911 11.9011 11.9011 12.3630 12.3630 12.5392 12.5392 k = 0.4727-0.0000 0.3141 ( 2302 PWs) bands (ev): -54.9656 -54.9656 -54.8781 -54.8781 -29.4210 -29.4210 -29.3399 -29.3399 -28.6862 -28.6862 -28.6017 -28.6017 -28.4151 -28.4151 -28.2687 -28.2687 -8.1618 -8.1618 -7.7642 -7.7642 -7.5046 -7.5046 -7.2032 -7.2032 3.9188 3.9188 4.0475 4.0475 4.3281 4.3281 4.5191 4.5191 5.5691 5.5691 5.6236 5.6236 6.7356 6.7356 6.8470 6.8470 7.2514 7.2514 7.3063 7.3063 8.0251 8.0251 8.1729 8.1729 10.4008 10.4008 10.4507 10.4507 11.6917 11.6917 11.9052 11.9052 12.3649 12.3649 12.5422 12.5422 k = 0.4818-0.0000 0.3141 ( 2306 PWs) bands (ev): -54.9655 -54.9655 -54.8780 -54.8780 -29.4214 -29.4214 -29.3401 -29.3401 -28.6867 -28.6867 -28.6021 -28.6021 -28.4149 -28.4149 -28.2687 -28.2687 -8.1616 -8.1616 -7.7615 -7.7615 -7.5044 -7.5044 -7.2013 -7.2013 3.9100 3.9100 4.0398 4.0398 4.3282 4.3282 4.5186 4.5186 5.5666 5.5666 5.6237 5.6237 6.7516 6.7516 6.8673 6.8673 7.2383 7.2383 7.2992 7.2992 8.0209 8.0209 8.1724 8.1724 10.3959 10.3959 10.4459 10.4459 11.6922 11.6922 11.9082 11.9082 12.3663 12.3663 12.5443 12.5443 k = 0.4909-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4216 -29.4216 -29.3403 -29.3403 -28.6870 -28.6870 -28.6024 -28.6024 -28.4149 -28.4149 -28.2686 -28.2686 -8.1615 -8.1615 -7.7598 -7.7598 -7.5042 -7.5042 -7.2001 -7.2001 3.9047 3.9047 4.0351 4.0351 4.3283 4.3283 4.5183 4.5183 5.5650 5.5650 5.6238 5.6238 6.7615 6.7615 6.8804 6.8804 7.2295 7.2295 7.2945 7.2945 8.0184 8.0184 8.1722 8.1722 10.3930 10.3930 10.4430 10.4430 11.6925 11.6925 11.9100 11.9100 12.3671 12.3671 12.5455 12.5455 k = 0.5000-0.0000 0.3141 ( 2304 PWs) bands (ev): -54.9654 -54.9654 -54.8779 -54.8779 -29.4217 -29.4217 -29.3403 -29.3403 -28.6871 -28.6871 -28.6025 -28.6025 -28.4149 -28.4149 -28.2686 -28.2686 -8.1614 -8.1614 -7.7592 -7.7592 -7.5041 -7.5041 -7.1997 -7.1997 3.9029 3.9029 4.0336 4.0336 4.3284 4.3284 4.5182 4.5182 5.5645 5.5645 5.6239 5.6239 6.7649 6.7649 6.8850 6.8850 7.2264 7.2264 7.2929 7.2929 8.0176 8.0176 8.1721 8.1721 10.3920 10.3920 10.4421 10.4421 11.6926 11.6926 11.9106 11.9106 12.3674 12.3674 12.5460 12.5460 Writing output data file VO2.save init_run : 2.66s CPU 14.06s WALL ( 1 calls) electrons : 819.29s CPU 828.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 819.23s CPU 827.82s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.92s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.10s CPU 0.62s WALL ( 1 calls) newd : 0.34s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 384 calls) cegterg : 778.64s CPU 784.54s WALL ( 770 calls) Called by sum_band: Called by *egterg: h_psi : 262.11s CPU 271.03s WALL ( 13373 calls) s_psi : 30.87s CPU 31.31s WALL ( 13373 calls) g_psi : 0.62s CPU 0.63s WALL ( 12219 calls) cdiaghg : 357.35s CPU 354.54s WALL ( 12603 calls) cegterg:over : 83.90s CPU 80.86s WALL ( 12219 calls) cegterg:upda : 11.09s CPU 14.38s WALL ( 12219 calls) cegterg:last : 11.18s CPU 12.13s WALL ( 2678 calls) Called by h_psi: h_psi:vloc : 194.80s CPU 202.17s WALL ( 13373 calls) h_psi:vnl : 67.15s CPU 68.13s WALL ( 13373 calls) add_vuspsi : 19.46s CPU 23.69s WALL ( 13373 calls) General routines calbec : 47.65s CPU 44.34s WALL ( 13373 calls) fft : 0.18s CPU 1.42s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 180.84s CPU 185.78s WALL ( 1959560 calls) interpolate : 0.05s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 1.46s WALL ( 768 calls) Parallel routines fft_scatter : 125.65s CPU 129.98s WALL ( 1959583 calls) PWSCF : 14m38.44s CPU 16m26.00s WALL This run was terminated on: 22:26:18 21May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=