Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:58:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 107 32 9 3133 496 85 Max 108 33 10 3136 517 90 Sum 3885 1153 357 112847 18279 3145 bravais-lattice index = 14 lattice parameter (alat) = 8.6895 a.u. unit-cell volume = 406.8640 (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)= 8.689527 celldm(2)= 1.000000 celldm(3)= 0.620099 celldm(4)= 0.000000 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.620099 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.612646 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for V read from file: /users/gautes/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) 8 Sym. Ops., with inversion, found (note: 8 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 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 = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 415 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0024096 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0024096 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0024096 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0024096 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0024096 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0024096 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0024096 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0024096 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0024096 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0024096 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0024096 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0024096 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0024096 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0024096 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0024096 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0024096 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0024096 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0024096 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0024096 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0024096 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0024096 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0024096 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0024096 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0024096 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0024096 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0024096 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0024096 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0024096 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0024096 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0024096 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0024096 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0024096 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0024096 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0024096 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0024096 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0024096 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0024096 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0024096 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0024096 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0024096 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0024096 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0024096 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0024096 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0024096 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0024096 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0024096 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0024096 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0024096 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0024096 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0024096 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0024096 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0024096 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0024096 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0024096 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0024096 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0024096 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0024096 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0024096 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0024096 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0024096 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0024096 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0024096 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0024096 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0024096 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0024096 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0024096 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0024096 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0024096 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024096 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024096 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0024096 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0024096 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0024096 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0024096 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0024096 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0024096 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0024096 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0024096 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0024096 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0024096 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0024096 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0024096 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0024096 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0024096 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0024096 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0024096 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0024096 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0024096 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0024096 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0024096 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0024096 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0024096 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0024096 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0024096 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0024096 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0024096 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0024096 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0024096 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0024096 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0024096 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0024096 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0024096 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0024096 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0024096 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0024096 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0024096 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0024096 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0024096 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0024096 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0024096 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0024096 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0024096 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0024096 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0024096 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0024096 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0024096 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0024096 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0024096 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 124) = ( 0.0000000 0.0000000 0.0143986), wk = 0.0024096 k( 125) = ( 0.0000000 0.0000000 0.0287973), wk = 0.0024096 k( 126) = ( 0.0000000 0.0000000 0.0431959), wk = 0.0024096 k( 127) = ( 0.0000000 0.0000000 0.0575945), wk = 0.0024096 k( 128) = ( 0.0000000 0.0000000 0.0719931), wk = 0.0024096 k( 129) = ( 0.0000000 0.0000000 0.0863918), wk = 0.0024096 k( 130) = ( 0.0000000 0.0000000 0.1007904), wk = 0.0024096 k( 131) = ( 0.0000000 0.0000000 0.1151890), wk = 0.0024096 k( 132) = ( 0.0000000 0.0000000 0.1295877), wk = 0.0024096 k( 133) = ( 0.0000000 0.0000000 0.1439863), wk = 0.0024096 k( 134) = ( 0.0000000 0.0000000 0.1583849), wk = 0.0024096 k( 135) = ( 0.0000000 0.0000000 0.1727835), wk = 0.0024096 k( 136) = ( 0.0000000 0.0000000 0.1871822), wk = 0.0024096 k( 137) = ( 0.0000000 0.0000000 0.2015808), wk = 0.0024096 k( 138) = ( 0.0000000 0.0000000 0.2159794), wk = 0.0024096 k( 139) = ( 0.0000000 0.0000000 0.2303781), wk = 0.0024096 k( 140) = ( 0.0000000 0.0000000 0.2447767), wk = 0.0024096 k( 141) = ( 0.0000000 0.0000000 0.2591753), wk = 0.0024096 k( 142) = ( 0.0000000 0.0000000 0.2735740), wk = 0.0024096 k( 143) = ( 0.0000000 0.0000000 0.2879726), wk = 0.0024096 k( 144) = ( 0.0000000 0.0000000 0.3023712), wk = 0.0024096 k( 145) = ( 0.0000000 0.0000000 0.3167698), wk = 0.0024096 k( 146) = ( 0.0000000 0.0000000 0.3311685), wk = 0.0024096 k( 147) = ( 0.0000000 0.0000000 0.3455671), wk = 0.0024096 k( 148) = ( 0.0000000 0.0000000 0.3599657), wk = 0.0024096 k( 149) = ( 0.0000000 0.0000000 0.3743644), wk = 0.0024096 k( 150) = ( 0.0000000 0.0000000 0.3887630), wk = 0.0024096 k( 151) = ( 0.0000000 0.0000000 0.4031616), wk = 0.0024096 k( 152) = ( 0.0000000 0.0000000 0.4175602), wk = 0.0024096 k( 153) = ( 0.0000000 0.0000000 0.4319589), wk = 0.0024096 k( 154) = ( 0.0000000 0.0000000 0.4463575), wk = 0.0024096 k( 155) = ( 0.0000000 0.0000000 0.4607561), wk = 0.0024096 k( 156) = ( 0.0000000 0.0000000 0.4751548), wk = 0.0024096 k( 157) = ( 0.0000000 0.0000000 0.4895534), wk = 0.0024096 k( 158) = ( 0.0000000 0.0000000 0.5039520), wk = 0.0024096 k( 159) = ( 0.0000000 0.0000000 0.5183506), wk = 0.0024096 k( 160) = ( 0.0000000 0.0000000 0.5327493), wk = 0.0024096 k( 161) = ( 0.0000000 0.0000000 0.5471479), wk = 0.0024096 k( 162) = ( 0.0000000 0.0000000 0.5615465), wk = 0.0024096 k( 163) = ( 0.0000000 0.0000000 0.5759452), wk = 0.0024096 k( 164) = ( 0.0000000 0.0000000 0.5903438), wk = 0.0024096 k( 165) = ( 0.0000000 0.0000000 0.6047424), wk = 0.0024096 k( 166) = ( 0.0000000 0.0000000 0.6191410), wk = 0.0024096 k( 167) = ( 0.0000000 0.0000000 0.6335397), wk = 0.0024096 k( 168) = ( 0.0000000 0.0000000 0.6479383), wk = 0.0024096 k( 169) = ( 0.0000000 0.0000000 0.6623369), wk = 0.0024096 k( 170) = ( 0.0000000 0.0000000 0.6767356), wk = 0.0024096 k( 171) = ( 0.0000000 0.0000000 0.6911342), wk = 0.0024096 k( 172) = ( 0.0000000 0.0000000 0.7055328), wk = 0.0024096 k( 173) = ( 0.0000000 0.0000000 0.7199314), wk = 0.0024096 k( 174) = ( 0.0000000 0.0000000 0.7343301), wk = 0.0024096 k( 175) = ( 0.0000000 0.0000000 0.7487287), wk = 0.0024096 k( 176) = ( 0.0000000 0.0000000 0.7631273), wk = 0.0024096 k( 177) = ( 0.0000000 0.0000000 0.7775260), wk = 0.0024096 k( 178) = ( 0.0000000 0.0000000 0.7919246), wk = 0.0024096 k( 179) = ( 0.0000000 0.0000000 0.8063232), wk = 0.0024096 k( 180) = ( 0.0000000 0.0000000 0.8063232), wk = 0.0024096 k( 181) = ( 0.0000000 0.0142857 0.8063232), wk = 0.0024096 k( 182) = ( 0.0000000 0.0285714 0.8063232), wk = 0.0024096 k( 183) = ( 0.0000000 0.0428571 0.8063232), wk = 0.0024096 k( 184) = ( 0.0000000 0.0571429 0.8063232), wk = 0.0024096 k( 185) = ( 0.0000000 0.0714286 0.8063232), wk = 0.0024096 k( 186) = ( 0.0000000 0.0857143 0.8063232), wk = 0.0024096 k( 187) = ( 0.0000000 0.1000000 0.8063232), wk = 0.0024096 k( 188) = ( 0.0000000 0.1142857 0.8063232), wk = 0.0024096 k( 189) = ( 0.0000000 0.1285714 0.8063232), wk = 0.0024096 k( 190) = ( 0.0000000 0.1428571 0.8063232), wk = 0.0024096 k( 191) = ( 0.0000000 0.1571429 0.8063232), wk = 0.0024096 k( 192) = ( 0.0000000 0.1714286 0.8063232), wk = 0.0024096 k( 193) = ( 0.0000000 0.1857143 0.8063232), wk = 0.0024096 k( 194) = ( 0.0000000 0.2000000 0.8063232), wk = 0.0024096 k( 195) = ( 0.0000000 0.2142857 0.8063232), wk = 0.0024096 k( 196) = ( 0.0000000 0.2285714 0.8063232), wk = 0.0024096 k( 197) = ( 0.0000000 0.2428571 0.8063232), wk = 0.0024096 k( 198) = ( 0.0000000 0.2571429 0.8063232), wk = 0.0024096 k( 199) = ( 0.0000000 0.2714286 0.8063232), wk = 0.0024096 k( 200) = ( 0.0000000 0.2857143 0.8063232), wk = 0.0024096 k( 201) = ( 0.0000000 0.3000000 0.8063232), wk = 0.0024096 k( 202) = ( 0.0000000 0.3142857 0.8063232), wk = 0.0024096 k( 203) = ( 0.0000000 0.3285714 0.8063232), wk = 0.0024096 k( 204) = ( 0.0000000 0.3428571 0.8063232), wk = 0.0024096 k( 205) = ( 0.0000000 0.3571429 0.8063232), wk = 0.0024096 k( 206) = ( 0.0000000 0.3714286 0.8063232), wk = 0.0024096 k( 207) = ( 0.0000000 0.3857143 0.8063232), wk = 0.0024096 k( 208) = ( 0.0000000 0.4000000 0.8063232), wk = 0.0024096 k( 209) = ( 0.0000000 0.4142857 0.8063232), wk = 0.0024096 k( 210) = ( 0.0000000 0.4285714 0.8063232), wk = 0.0024096 k( 211) = ( 0.0000000 0.4428571 0.8063232), wk = 0.0024096 k( 212) = ( 0.0000000 0.4571429 0.8063232), wk = 0.0024096 k( 213) = ( 0.0000000 0.4714286 0.8063232), wk = 0.0024096 k( 214) = ( 0.0000000 0.4857143 0.8063232), wk = 0.0024096 k( 215) = ( 0.0000000 0.5000000 0.8063232), wk = 0.0024096 k( 216) = ( 0.0000000 0.5000000 0.8063232), wk = 0.0024096 k( 217) = ( 0.0142857 0.5000000 0.8063232), wk = 0.0024096 k( 218) = ( 0.0285714 0.5000000 0.8063232), wk = 0.0024096 k( 219) = ( 0.0428571 0.5000000 0.8063232), wk = 0.0024096 k( 220) = ( 0.0571429 0.5000000 0.8063232), wk = 0.0024096 k( 221) = ( 0.0714286 0.5000000 0.8063232), wk = 0.0024096 k( 222) = ( 0.0857143 0.5000000 0.8063232), wk = 0.0024096 k( 223) = ( 0.1000000 0.5000000 0.8063232), wk = 0.0024096 k( 224) = ( 0.1142857 0.5000000 0.8063232), wk = 0.0024096 k( 225) = ( 0.1285714 0.5000000 0.8063232), wk = 0.0024096 k( 226) = ( 0.1428571 0.5000000 0.8063232), wk = 0.0024096 k( 227) = ( 0.1571429 0.5000000 0.8063232), wk = 0.0024096 k( 228) = ( 0.1714286 0.5000000 0.8063232), wk = 0.0024096 k( 229) = ( 0.1857143 0.5000000 0.8063232), wk = 0.0024096 k( 230) = ( 0.2000000 0.5000000 0.8063232), wk = 0.0024096 k( 231) = ( 0.2142857 0.5000000 0.8063232), wk = 0.0024096 k( 232) = ( 0.2285714 0.5000000 0.8063232), wk = 0.0024096 k( 233) = ( 0.2428571 0.5000000 0.8063232), wk = 0.0024096 k( 234) = ( 0.2571429 0.5000000 0.8063232), wk = 0.0024096 k( 235) = ( 0.2714286 0.5000000 0.8063232), wk = 0.0024096 k( 236) = ( 0.2857143 0.5000000 0.8063232), wk = 0.0024096 k( 237) = ( 0.3000000 0.5000000 0.8063232), wk = 0.0024096 k( 238) = ( 0.3142857 0.5000000 0.8063232), wk = 0.0024096 k( 239) = ( 0.3285714 0.5000000 0.8063232), wk = 0.0024096 k( 240) = ( 0.3428571 0.5000000 0.8063232), wk = 0.0024096 k( 241) = ( 0.3571429 0.5000000 0.8063232), wk = 0.0024096 k( 242) = ( 0.3714286 0.5000000 0.8063232), wk = 0.0024096 k( 243) = ( 0.3857143 0.5000000 0.8063232), wk = 0.0024096 k( 244) = ( 0.4000000 0.5000000 0.8063232), wk = 0.0024096 k( 245) = ( 0.4142857 0.5000000 0.8063232), wk = 0.0024096 k( 246) = ( 0.4285714 0.5000000 0.8063232), wk = 0.0024096 k( 247) = ( 0.4428571 0.5000000 0.8063232), wk = 0.0024096 k( 248) = ( 0.4571429 0.5000000 0.8063232), wk = 0.0024096 k( 249) = ( 0.4714286 0.5000000 0.8063232), wk = 0.0024096 k( 250) = ( 0.4857143 0.5000000 0.8063232), wk = 0.0024096 k( 251) = ( 0.5000000 0.5000000 0.8063232), wk = 0.0024096 k( 252) = ( 0.5000000 0.5000000 0.8063232), wk = 0.0024096 k( 253) = ( 0.4897959 0.4897959 0.8063232), wk = 0.0024096 k( 254) = ( 0.4795918 0.4795918 0.8063232), wk = 0.0024096 k( 255) = ( 0.4693878 0.4693878 0.8063232), wk = 0.0024096 k( 256) = ( 0.4591837 0.4591837 0.8063232), wk = 0.0024096 k( 257) = ( 0.4489796 0.4489796 0.8063232), wk = 0.0024096 k( 258) = ( 0.4387755 0.4387755 0.8063232), wk = 0.0024096 k( 259) = ( 0.4285714 0.4285714 0.8063232), wk = 0.0024096 k( 260) = ( 0.4183674 0.4183673 0.8063232), wk = 0.0024096 k( 261) = ( 0.4081633 0.4081633 0.8063232), wk = 0.0024096 k( 262) = ( 0.3979592 0.3979592 0.8063232), wk = 0.0024096 k( 263) = ( 0.3877551 0.3877551 0.8063232), wk = 0.0024096 k( 264) = ( 0.3775510 0.3775510 0.8063232), wk = 0.0024096 k( 265) = ( 0.3673469 0.3673469 0.8063232), wk = 0.0024096 k( 266) = ( 0.3571429 0.3571429 0.8063232), wk = 0.0024096 k( 267) = ( 0.3469388 0.3469388 0.8063232), wk = 0.0024096 k( 268) = ( 0.3367347 0.3367347 0.8063232), wk = 0.0024096 k( 269) = ( 0.3265306 0.3265306 0.8063232), wk = 0.0024096 k( 270) = ( 0.3163265 0.3163265 0.8063232), wk = 0.0024096 k( 271) = ( 0.3061224 0.3061224 0.8063232), wk = 0.0024096 k( 272) = ( 0.2959184 0.2959184 0.8063232), wk = 0.0024096 k( 273) = ( 0.2857143 0.2857143 0.8063232), wk = 0.0024096 k( 274) = ( 0.2755102 0.2755102 0.8063232), wk = 0.0024096 k( 275) = ( 0.2653061 0.2653061 0.8063232), wk = 0.0024096 k( 276) = ( 0.2551020 0.2551020 0.8063232), wk = 0.0024096 k( 277) = ( 0.2448980 0.2448980 0.8063232), wk = 0.0024096 k( 278) = ( 0.2346939 0.2346939 0.8063232), wk = 0.0024096 k( 279) = ( 0.2244898 0.2244898 0.8063232), wk = 0.0024096 k( 280) = ( 0.2142857 0.2142857 0.8063232), wk = 0.0024096 k( 281) = ( 0.2040816 0.2040816 0.8063232), wk = 0.0024096 k( 282) = ( 0.1938776 0.1938775 0.8063232), wk = 0.0024096 k( 283) = ( 0.1836735 0.1836735 0.8063232), wk = 0.0024096 k( 284) = ( 0.1734694 0.1734694 0.8063232), wk = 0.0024096 k( 285) = ( 0.1632653 0.1632653 0.8063232), wk = 0.0024096 k( 286) = ( 0.1530612 0.1530612 0.8063232), wk = 0.0024096 k( 287) = ( 0.1428571 0.1428571 0.8063232), wk = 0.0024096 k( 288) = ( 0.1326531 0.1326531 0.8063232), wk = 0.0024096 k( 289) = ( 0.1224490 0.1224490 0.8063232), wk = 0.0024096 k( 290) = ( 0.1122449 0.1122449 0.8063232), wk = 0.0024096 k( 291) = ( 0.1020408 0.1020408 0.8063232), wk = 0.0024096 k( 292) = ( 0.0918367 0.0918367 0.8063232), wk = 0.0024096 k( 293) = ( 0.0816327 0.0816326 0.8063232), wk = 0.0024096 k( 294) = ( 0.0714286 0.0714286 0.8063232), wk = 0.0024096 k( 295) = ( 0.0612245 0.0612245 0.8063232), wk = 0.0024096 k( 296) = ( 0.0510204 0.0510204 0.8063232), wk = 0.0024096 k( 297) = ( 0.0408163 0.0408163 0.8063232), wk = 0.0024096 k( 298) = ( 0.0306122 0.0306122 0.8063232), wk = 0.0024096 k( 299) = ( 0.0204082 0.0204082 0.8063232), wk = 0.0024096 k( 300) = ( 0.0102041 0.0102041 0.8063232), wk = 0.0024096 k( 301) = ( 0.0000000 0.0000000 0.8063232), wk = 0.0024096 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 303) = ( 0.0000000 0.5000000 0.0143986), wk = 0.0024096 k( 304) = ( 0.0000000 0.5000000 0.0287973), wk = 0.0024096 k( 305) = ( 0.0000000 0.5000000 0.0431959), wk = 0.0024096 k( 306) = ( 0.0000000 0.5000000 0.0575945), wk = 0.0024096 k( 307) = ( 0.0000000 0.5000000 0.0719931), wk = 0.0024096 k( 308) = ( 0.0000000 0.5000000 0.0863918), wk = 0.0024096 k( 309) = ( 0.0000000 0.5000000 0.1007904), wk = 0.0024096 k( 310) = ( 0.0000000 0.5000000 0.1151890), wk = 0.0024096 k( 311) = ( 0.0000000 0.5000000 0.1295877), wk = 0.0024096 k( 312) = ( 0.0000000 0.5000000 0.1439863), wk = 0.0024096 k( 313) = ( 0.0000000 0.5000000 0.1583849), wk = 0.0024096 k( 314) = ( 0.0000000 0.5000000 0.1727835), wk = 0.0024096 k( 315) = ( 0.0000000 0.5000000 0.1871822), wk = 0.0024096 k( 316) = ( 0.0000000 0.5000000 0.2015808), wk = 0.0024096 k( 317) = ( 0.0000000 0.5000000 0.2159794), wk = 0.0024096 k( 318) = ( 0.0000000 0.5000000 0.2303781), wk = 0.0024096 k( 319) = ( 0.0000000 0.5000000 0.2447767), wk = 0.0024096 k( 320) = ( 0.0000000 0.5000000 0.2591753), wk = 0.0024096 k( 321) = ( 0.0000000 0.5000000 0.2735740), wk = 0.0024096 k( 322) = ( 0.0000000 0.5000000 0.2879726), wk = 0.0024096 k( 323) = ( 0.0000000 0.5000000 0.3023712), wk = 0.0024096 k( 324) = ( 0.0000000 0.5000000 0.3167698), wk = 0.0024096 k( 325) = ( 0.0000000 0.5000000 0.3311685), wk = 0.0024096 k( 326) = ( 0.0000000 0.5000000 0.3455671), wk = 0.0024096 k( 327) = ( 0.0000000 0.5000000 0.3599657), wk = 0.0024096 k( 328) = ( 0.0000000 0.5000000 0.3743644), wk = 0.0024096 k( 329) = ( 0.0000000 0.5000000 0.3887630), wk = 0.0024096 k( 330) = ( 0.0000000 0.5000000 0.4031616), wk = 0.0024096 k( 331) = ( 0.0000000 0.5000000 0.4175602), wk = 0.0024096 k( 332) = ( 0.0000000 0.5000000 0.4319589), wk = 0.0024096 k( 333) = ( 0.0000000 0.5000000 0.4463575), wk = 0.0024096 k( 334) = ( 0.0000000 0.5000000 0.4607561), wk = 0.0024096 k( 335) = ( 0.0000000 0.5000000 0.4751548), wk = 0.0024096 k( 336) = ( 0.0000000 0.5000000 0.4895534), wk = 0.0024096 k( 337) = ( 0.0000000 0.5000000 0.5039520), wk = 0.0024096 k( 338) = ( 0.0000000 0.5000000 0.5183506), wk = 0.0024096 k( 339) = ( 0.0000000 0.5000000 0.5327493), wk = 0.0024096 k( 340) = ( 0.0000000 0.5000000 0.5471479), wk = 0.0024096 k( 341) = ( 0.0000000 0.5000000 0.5615465), wk = 0.0024096 k( 342) = ( 0.0000000 0.5000000 0.5759452), wk = 0.0024096 k( 343) = ( 0.0000000 0.5000000 0.5903438), wk = 0.0024096 k( 344) = ( 0.0000000 0.5000000 0.6047424), wk = 0.0024096 k( 345) = ( 0.0000000 0.5000000 0.6191410), wk = 0.0024096 k( 346) = ( 0.0000000 0.5000000 0.6335397), wk = 0.0024096 k( 347) = ( 0.0000000 0.5000000 0.6479383), wk = 0.0024096 k( 348) = ( 0.0000000 0.5000000 0.6623369), wk = 0.0024096 k( 349) = ( 0.0000000 0.5000000 0.6767356), wk = 0.0024096 k( 350) = ( 0.0000000 0.5000000 0.6911342), wk = 0.0024096 k( 351) = ( 0.0000000 0.5000000 0.7055328), wk = 0.0024096 k( 352) = ( 0.0000000 0.5000000 0.7199314), wk = 0.0024096 k( 353) = ( 0.0000000 0.5000000 0.7343301), wk = 0.0024096 k( 354) = ( 0.0000000 0.5000000 0.7487287), wk = 0.0024096 k( 355) = ( 0.0000000 0.5000000 0.7631273), wk = 0.0024096 k( 356) = ( 0.0000000 0.5000000 0.7775260), wk = 0.0024096 k( 357) = ( 0.0000000 0.5000000 0.7919246), wk = 0.0024096 k( 358) = ( 0.0000000 0.5000000 0.8063232), wk = 0.0024096 k( 359) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024096 k( 360) = ( 0.5000000 0.5000000 0.0143986), wk = 0.0024096 k( 361) = ( 0.5000000 0.5000000 0.0287973), wk = 0.0024096 k( 362) = ( 0.5000000 0.5000000 0.0431959), wk = 0.0024096 k( 363) = ( 0.5000000 0.5000000 0.0575945), wk = 0.0024096 k( 364) = ( 0.5000000 0.5000000 0.0719931), wk = 0.0024096 k( 365) = ( 0.5000000 0.5000000 0.0863918), wk = 0.0024096 k( 366) = ( 0.5000000 0.5000000 0.1007904), wk = 0.0024096 k( 367) = ( 0.5000000 0.5000000 0.1151890), wk = 0.0024096 k( 368) = ( 0.5000000 0.5000000 0.1295877), wk = 0.0024096 k( 369) = ( 0.5000000 0.5000000 0.1439863), wk = 0.0024096 k( 370) = ( 0.5000000 0.5000000 0.1583849), wk = 0.0024096 k( 371) = ( 0.5000000 0.5000000 0.1727835), wk = 0.0024096 k( 372) = ( 0.5000000 0.5000000 0.1871822), wk = 0.0024096 k( 373) = ( 0.5000000 0.5000000 0.2015808), wk = 0.0024096 k( 374) = ( 0.5000000 0.5000000 0.2159794), wk = 0.0024096 k( 375) = ( 0.5000000 0.5000000 0.2303781), wk = 0.0024096 k( 376) = ( 0.5000000 0.5000000 0.2447767), wk = 0.0024096 k( 377) = ( 0.5000000 0.5000000 0.2591753), wk = 0.0024096 k( 378) = ( 0.5000000 0.5000000 0.2735740), wk = 0.0024096 k( 379) = ( 0.5000000 0.5000000 0.2879726), wk = 0.0024096 k( 380) = ( 0.5000000 0.5000000 0.3023712), wk = 0.0024096 k( 381) = ( 0.5000000 0.5000000 0.3167698), wk = 0.0024096 k( 382) = ( 0.5000000 0.5000000 0.3311685), wk = 0.0024096 k( 383) = ( 0.5000000 0.5000000 0.3455671), wk = 0.0024096 k( 384) = ( 0.5000000 0.5000000 0.3599657), wk = 0.0024096 k( 385) = ( 0.5000000 0.5000000 0.3743644), wk = 0.0024096 k( 386) = ( 0.5000000 0.5000000 0.3887630), wk = 0.0024096 k( 387) = ( 0.5000000 0.5000000 0.4031616), wk = 0.0024096 k( 388) = ( 0.5000000 0.5000000 0.4175602), wk = 0.0024096 k( 389) = ( 0.5000000 0.5000000 0.4319589), wk = 0.0024096 k( 390) = ( 0.5000000 0.5000000 0.4463575), wk = 0.0024096 k( 391) = ( 0.5000000 0.5000000 0.4607561), wk = 0.0024096 k( 392) = ( 0.5000000 0.5000000 0.4751548), wk = 0.0024096 k( 393) = ( 0.5000000 0.5000000 0.4895534), wk = 0.0024096 k( 394) = ( 0.5000000 0.5000000 0.5039520), wk = 0.0024096 k( 395) = ( 0.5000000 0.5000000 0.5183506), wk = 0.0024096 k( 396) = ( 0.5000000 0.5000000 0.5327493), wk = 0.0024096 k( 397) = ( 0.5000000 0.5000000 0.5471479), wk = 0.0024096 k( 398) = ( 0.5000000 0.5000000 0.5615465), wk = 0.0024096 k( 399) = ( 0.5000000 0.5000000 0.5759452), wk = 0.0024096 k( 400) = ( 0.5000000 0.5000000 0.5903438), wk = 0.0024096 k( 401) = ( 0.5000000 0.5000000 0.6047424), wk = 0.0024096 k( 402) = ( 0.5000000 0.5000000 0.6191410), wk = 0.0024096 k( 403) = ( 0.5000000 0.5000000 0.6335397), wk = 0.0024096 k( 404) = ( 0.5000000 0.5000000 0.6479383), wk = 0.0024096 k( 405) = ( 0.5000000 0.5000000 0.6623369), wk = 0.0024096 k( 406) = ( 0.5000000 0.5000000 0.6767356), wk = 0.0024096 k( 407) = ( 0.5000000 0.5000000 0.6911342), wk = 0.0024096 k( 408) = ( 0.5000000 0.5000000 0.7055328), wk = 0.0024096 k( 409) = ( 0.5000000 0.5000000 0.7199314), wk = 0.0024096 k( 410) = ( 0.5000000 0.5000000 0.7343301), wk = 0.0024096 k( 411) = ( 0.5000000 0.5000000 0.7487287), wk = 0.0024096 k( 412) = ( 0.5000000 0.5000000 0.7631273), wk = 0.0024096 k( 413) = ( 0.5000000 0.5000000 0.7775260), wk = 0.0024096 k( 414) = ( 0.5000000 0.5000000 0.7919246), wk = 0.0024096 k( 415) = ( 0.5000000 0.5000000 0.8063232), wk = 0.0024096 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0024096 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0024096 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0024096 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0024096 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0024096 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0024096 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0024096 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0024096 k( 10) = ( 0.0000000 0.1285714 0.0000000), wk = 0.0024096 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0024096 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0024096 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0024096 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0024096 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0024096 k( 16) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0024096 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0024096 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0024096 k( 19) = ( 0.0000000 0.2571429 0.0000000), wk = 0.0024096 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0024096 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0024096 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0024096 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0024096 k( 24) = ( 0.0000000 0.3285714 0.0000000), wk = 0.0024096 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0024096 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0024096 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0024096 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0024096 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0024096 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0024096 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0024096 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0024096 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0024096 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0024096 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0024096 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0024096 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0024096 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0024096 k( 41) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0024096 k( 42) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0024096 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0024096 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0024096 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0024096 k( 46) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0024096 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0024096 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0024096 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0024096 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0024096 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0024096 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0024096 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0024096 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0024096 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0024096 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0024096 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0024096 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0024096 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0024096 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0024096 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0024096 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0024096 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0024096 k( 64) = ( 0.3857143 0.5000000 0.0000000), wk = 0.0024096 k( 65) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0024096 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0024096 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0024096 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0024096 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0024096 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0024096 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0024096 k( 72) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024096 k( 73) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024096 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0024096 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0024096 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0024096 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0024096 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0024096 k( 79) = ( 0.4387755 0.4387755 0.0000000), wk = 0.0024096 k( 80) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0024096 k( 81) = ( 0.4183674 0.4183674 0.0000000), wk = 0.0024096 k( 82) = ( 0.4081633 0.4081633 0.0000000), wk = 0.0024096 k( 83) = ( 0.3979592 0.3979592 0.0000000), wk = 0.0024096 k( 84) = ( 0.3877551 0.3877551 0.0000000), wk = 0.0024096 k( 85) = ( 0.3775510 0.3775510 0.0000000), wk = 0.0024096 k( 86) = ( 0.3673469 0.3673469 0.0000000), wk = 0.0024096 k( 87) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0024096 k( 88) = ( 0.3469388 0.3469388 0.0000000), wk = 0.0024096 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0024096 k( 90) = ( 0.3265306 0.3265306 0.0000000), wk = 0.0024096 k( 91) = ( 0.3163265 0.3163265 0.0000000), wk = 0.0024096 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0024096 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0024096 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0024096 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0024096 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0024096 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0024096 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0024096 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0024096 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0024096 k( 101) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0024096 k( 102) = ( 0.2040816 0.2040816 0.0000000), wk = 0.0024096 k( 103) = ( 0.1938776 0.1938776 0.0000000), wk = 0.0024096 k( 104) = ( 0.1836735 0.1836735 0.0000000), wk = 0.0024096 k( 105) = ( 0.1734694 0.1734694 0.0000000), wk = 0.0024096 k( 106) = ( 0.1632653 0.1632653 0.0000000), wk = 0.0024096 k( 107) = ( 0.1530612 0.1530612 0.0000000), wk = 0.0024096 k( 108) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0024096 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0024096 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0024096 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0024096 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0024096 k( 113) = ( 0.0918367 0.0918367 0.0000000), wk = 0.0024096 k( 114) = ( 0.0816327 0.0816327 -0.0000000), wk = 0.0024096 k( 115) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0024096 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0024096 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0024096 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0024096 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0024096 k( 120) = ( 0.0204082 0.0204082 0.0000000), wk = 0.0024096 k( 121) = ( 0.0102041 0.0102041 0.0000000), wk = 0.0024096 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024096 k( 124) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0024096 k( 125) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0024096 k( 126) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0024096 k( 127) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0024096 k( 128) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0024096 k( 129) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0024096 k( 130) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024096 k( 131) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024096 k( 132) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0024096 k( 133) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0024096 k( 134) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0024096 k( 135) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0024096 k( 136) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0024096 k( 137) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024096 k( 138) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0024096 k( 139) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024096 k( 140) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0024096 k( 141) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0024096 k( 142) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0024096 k( 143) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0024096 k( 144) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024096 k( 145) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0024096 k( 146) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0024096 k( 147) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024096 k( 148) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0024096 k( 149) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0024096 k( 150) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0024096 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024096 k( 152) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0024096 k( 153) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0024096 k( 154) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0024096 k( 155) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024096 k( 156) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0024096 k( 157) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0024096 k( 158) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024096 k( 159) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0024096 k( 160) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0024096 k( 161) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0024096 k( 162) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0024096 k( 163) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024096 k( 164) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0024096 k( 165) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024096 k( 166) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0024096 k( 167) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0024096 k( 168) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0024096 k( 169) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0024096 k( 170) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0024096 k( 171) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024096 k( 172) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024096 k( 173) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0024096 k( 174) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0024096 k( 175) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0024096 k( 176) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0024096 k( 177) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0024096 k( 178) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0024096 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024096 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024096 k( 181) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0024096 k( 182) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0024096 k( 183) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0024096 k( 184) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0024096 k( 185) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0024096 k( 186) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0024096 k( 187) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0024096 k( 188) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0024096 k( 189) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0024096 k( 190) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0024096 k( 191) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0024096 k( 192) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0024096 k( 193) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0024096 k( 194) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0024096 k( 195) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0024096 k( 196) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0024096 k( 197) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0024096 k( 198) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0024096 k( 199) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0024096 k( 200) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0024096 k( 201) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0024096 k( 202) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0024096 k( 203) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0024096 k( 204) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0024096 k( 205) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0024096 k( 206) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0024096 k( 207) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0024096 k( 208) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0024096 k( 209) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0024096 k( 210) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0024096 k( 211) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0024096 k( 212) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0024096 k( 213) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0024096 k( 214) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0024096 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024096 k( 216) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024096 k( 217) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0024096 k( 218) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0024096 k( 219) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0024096 k( 220) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0024096 k( 221) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0024096 k( 222) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0024096 k( 223) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0024096 k( 224) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0024096 k( 225) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0024096 k( 226) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0024096 k( 227) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0024096 k( 228) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0024096 k( 229) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0024096 k( 230) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0024096 k( 231) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0024096 k( 232) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0024096 k( 233) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0024096 k( 234) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0024096 k( 235) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0024096 k( 236) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0024096 k( 237) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0024096 k( 238) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0024096 k( 239) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0024096 k( 240) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0024096 k( 241) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0024096 k( 242) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0024096 k( 243) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0024096 k( 244) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0024096 k( 245) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0024096 k( 246) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0024096 k( 247) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0024096 k( 248) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0024096 k( 249) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0024096 k( 250) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0024096 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 k( 253) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0024096 k( 254) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0024096 k( 255) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0024096 k( 256) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0024096 k( 257) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0024096 k( 258) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0024096 k( 259) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0024096 k( 260) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0024096 k( 261) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0024096 k( 262) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0024096 k( 263) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0024096 k( 264) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0024096 k( 265) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0024096 k( 266) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0024096 k( 267) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0024096 k( 268) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0024096 k( 269) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0024096 k( 270) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0024096 k( 271) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0024096 k( 272) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0024096 k( 273) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0024096 k( 274) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0024096 k( 275) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0024096 k( 276) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0024096 k( 277) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0024096 k( 278) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0024096 k( 279) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0024096 k( 280) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0024096 k( 281) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0024096 k( 282) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0024096 k( 283) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0024096 k( 284) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0024096 k( 285) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0024096 k( 286) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0024096 k( 287) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0024096 k( 288) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0024096 k( 289) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0024096 k( 290) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0024096 k( 291) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0024096 k( 292) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0024096 k( 293) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0024096 k( 294) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0024096 k( 295) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0024096 k( 296) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0024096 k( 297) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0024096 k( 298) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0024096 k( 299) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0024096 k( 300) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0024096 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024096 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024096 k( 303) = ( 0.0000000 0.5000000 0.0089286), wk = 0.0024096 k( 304) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0024096 k( 305) = ( 0.0000000 0.5000000 0.0267857), wk = 0.0024096 k( 306) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0024096 k( 307) = ( 0.0000000 0.5000000 0.0446429), wk = 0.0024096 k( 308) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0024096 k( 309) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0024096 k( 310) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0024096 k( 311) = ( 0.0000000 0.5000000 0.0803571), wk = 0.0024096 k( 312) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0024096 k( 313) = ( 0.0000000 0.5000000 0.0982143), wk = 0.0024096 k( 314) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0024096 k( 315) = ( 0.0000000 0.5000000 0.1160714), wk = 0.0024096 k( 316) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024096 k( 317) = ( 0.0000000 0.5000000 0.1339286), wk = 0.0024096 k( 318) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0024096 k( 319) = ( 0.0000000 0.5000000 0.1517857), wk = 0.0024096 k( 320) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0024096 k( 321) = ( 0.0000000 0.5000000 0.1696429), wk = 0.0024096 k( 322) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0024096 k( 323) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0024096 k( 324) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0024096 k( 325) = ( 0.0000000 0.5000000 0.2053571), wk = 0.0024096 k( 326) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0024096 k( 327) = ( 0.0000000 0.5000000 0.2232143), wk = 0.0024096 k( 328) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0024096 k( 329) = ( 0.0000000 0.5000000 0.2410714), wk = 0.0024096 k( 330) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024096 k( 331) = ( 0.0000000 0.5000000 0.2589286), wk = 0.0024096 k( 332) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0024096 k( 333) = ( 0.0000000 0.5000000 0.2767857), wk = 0.0024096 k( 334) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0024096 k( 335) = ( 0.0000000 0.5000000 0.2946429), wk = 0.0024096 k( 336) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0024096 k( 337) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0024096 k( 338) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0024096 k( 339) = ( 0.0000000 0.5000000 0.3303571), wk = 0.0024096 k( 340) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0024096 k( 341) = ( 0.0000000 0.5000000 0.3482143), wk = 0.0024096 k( 342) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0024096 k( 343) = ( 0.0000000 0.5000000 0.3660714), wk = 0.0024096 k( 344) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024096 k( 345) = ( 0.0000000 0.5000000 0.3839286), wk = 0.0024096 k( 346) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0024096 k( 347) = ( 0.0000000 0.5000000 0.4017857), wk = 0.0024096 k( 348) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0024096 k( 349) = ( 0.0000000 0.5000000 0.4196429), wk = 0.0024096 k( 350) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0024096 k( 351) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0024096 k( 352) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0024096 k( 353) = ( 0.0000000 0.5000000 0.4553571), wk = 0.0024096 k( 354) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0024096 k( 355) = ( 0.0000000 0.5000000 0.4732143), wk = 0.0024096 k( 356) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0024096 k( 357) = ( 0.0000000 0.5000000 0.4910714), wk = 0.0024096 k( 358) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024096 k( 359) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024096 k( 360) = ( 0.5000000 0.5000000 0.0089286), wk = 0.0024096 k( 361) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0024096 k( 362) = ( 0.5000000 0.5000000 0.0267857), wk = 0.0024096 k( 363) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0024096 k( 364) = ( 0.5000000 0.5000000 0.0446429), wk = 0.0024096 k( 365) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0024096 k( 366) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0024096 k( 367) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0024096 k( 368) = ( 0.5000000 0.5000000 0.0803571), wk = 0.0024096 k( 369) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0024096 k( 370) = ( 0.5000000 0.5000000 0.0982143), wk = 0.0024096 k( 371) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0024096 k( 372) = ( 0.5000000 0.5000000 0.1160714), wk = 0.0024096 k( 373) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0024096 k( 374) = ( 0.5000000 0.5000000 0.1339286), wk = 0.0024096 k( 375) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0024096 k( 376) = ( 0.5000000 0.5000000 0.1517857), wk = 0.0024096 k( 377) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0024096 k( 378) = ( 0.5000000 0.5000000 0.1696429), wk = 0.0024096 k( 379) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0024096 k( 380) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0024096 k( 381) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0024096 k( 382) = ( 0.5000000 0.5000000 0.2053571), wk = 0.0024096 k( 383) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0024096 k( 384) = ( 0.5000000 0.5000000 0.2232143), wk = 0.0024096 k( 385) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0024096 k( 386) = ( 0.5000000 0.5000000 0.2410714), wk = 0.0024096 k( 387) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024096 k( 388) = ( 0.5000000 0.5000000 0.2589286), wk = 0.0024096 k( 389) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0024096 k( 390) = ( 0.5000000 0.5000000 0.2767857), wk = 0.0024096 k( 391) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0024096 k( 392) = ( 0.5000000 0.5000000 0.2946429), wk = 0.0024096 k( 393) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0024096 k( 394) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0024096 k( 395) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0024096 k( 396) = ( 0.5000000 0.5000000 0.3303571), wk = 0.0024096 k( 397) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0024096 k( 398) = ( 0.5000000 0.5000000 0.3482143), wk = 0.0024096 k( 399) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0024096 k( 400) = ( 0.5000000 0.5000000 0.3660714), wk = 0.0024096 k( 401) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0024096 k( 402) = ( 0.5000000 0.5000000 0.3839286), wk = 0.0024096 k( 403) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0024096 k( 404) = ( 0.5000000 0.5000000 0.4017857), wk = 0.0024096 k( 405) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0024096 k( 406) = ( 0.5000000 0.5000000 0.4196429), wk = 0.0024096 k( 407) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0024096 k( 408) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0024096 k( 409) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0024096 k( 410) = ( 0.5000000 0.5000000 0.4553571), wk = 0.0024096 k( 411) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0024096 k( 412) = ( 0.5000000 0.5000000 0.4732143), wk = 0.0024096 k( 413) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0024096 k( 414) = ( 0.5000000 0.5000000 0.4910714), wk = 0.0024096 k( 415) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024096 Dense grid: 112847 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 18279 G-vectors FFT dimensions: ( 40, 40, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 140, 60) NL pseudopotentials 0.13 Mb ( 70, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3136) G-vector shells 0.01 Mb ( 1393) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 140, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) 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 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 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.1 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.2 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.9 secs Computing kpt #: 27 total cpu time spent up to now is 16.2 secs Computing kpt #: 28 total cpu time spent up to now is 16.6 secs Computing kpt #: 29 total cpu time spent up to now is 17.0 secs Computing kpt #: 30 total cpu time spent up to now is 17.3 secs Computing kpt #: 31 total cpu time spent up to now is 17.8 secs Computing kpt #: 32 total cpu time spent up to now is 18.1 secs Computing kpt #: 33 total cpu time spent up to now is 18.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.9 secs Computing kpt #: 35 total cpu time spent up to now is 19.3 secs Computing kpt #: 36 total cpu time spent up to now is 19.7 secs Computing kpt #: 37 total cpu time spent up to now is 20.0 secs Computing kpt #: 38 total cpu time spent up to now is 20.4 secs Computing kpt #: 39 total cpu time spent up to now is 20.8 secs Computing kpt #: 40 total cpu time spent up to now is 21.1 secs Computing kpt #: 41 total cpu time spent up to now is 21.5 secs Computing kpt #: 42 total cpu time spent up to now is 21.9 secs Computing kpt #: 43 total cpu time spent up to now is 22.2 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.3 secs Computing kpt #: 47 total cpu time spent up to now is 23.7 secs Computing kpt #: 48 total cpu time spent up to now is 24.1 secs Computing kpt #: 49 total cpu time spent up to now is 24.4 secs Computing kpt #: 50 total cpu time spent up to now is 24.8 secs Computing kpt #: 51 total cpu time spent up to now is 25.1 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.7 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.5 secs Computing kpt #: 57 total cpu time spent up to now is 27.8 secs Computing kpt #: 58 total cpu time spent up to now is 28.2 secs Computing kpt #: 59 total cpu time spent up to now is 28.5 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.6 secs Computing kpt #: 63 total cpu time spent up to now is 30.0 secs Computing kpt #: 64 total cpu time spent up to now is 30.4 secs Computing kpt #: 65 total cpu time spent up to now is 30.7 secs Computing kpt #: 66 total cpu time spent up to now is 31.1 secs Computing kpt #: 67 total cpu time spent up to now is 31.5 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.2 secs Computing kpt #: 70 total cpu time spent up to now is 32.6 secs Computing kpt #: 71 total cpu time spent up to now is 32.9 secs Computing kpt #: 72 total cpu time spent up to now is 33.3 secs Computing kpt #: 73 total cpu time spent up to now is 33.6 secs Computing kpt #: 74 total cpu time spent up to now is 34.0 secs Computing kpt #: 75 total cpu time spent up to now is 34.4 secs Computing kpt #: 76 total cpu time spent up to now is 34.7 secs Computing kpt #: 77 total cpu time spent up to now is 35.1 secs Computing kpt #: 78 total cpu time spent up to now is 35.5 secs Computing kpt #: 79 total cpu time spent up to now is 35.8 secs Computing kpt #: 80 total cpu time spent up to now is 36.2 secs Computing kpt #: 81 total cpu time spent up to now is 36.6 secs Computing kpt #: 82 total cpu time spent up to now is 37.0 secs Computing kpt #: 83 total cpu time spent up to now is 37.3 secs Computing kpt #: 84 total cpu time spent up to now is 37.7 secs Computing kpt #: 85 total cpu time spent up to now is 38.1 secs Computing kpt #: 86 total cpu time spent up to now is 38.4 secs Computing kpt #: 87 total cpu time spent up to now is 38.8 secs Computing kpt #: 88 total cpu time spent up to now is 39.2 secs Computing kpt #: 89 total cpu time spent up to now is 39.5 secs Computing kpt #: 90 total cpu time spent up to now is 39.9 secs Computing kpt #: 91 total cpu time spent up to now is 40.3 secs Computing kpt #: 92 total cpu time spent up to now is 40.6 secs Computing kpt #: 93 total cpu time spent up to now is 41.0 secs Computing kpt #: 94 total cpu time spent up to now is 41.4 secs Computing kpt #: 95 total cpu time spent up to now is 41.7 secs Computing kpt #: 96 total cpu time spent up to now is 42.1 secs Computing kpt #: 97 total cpu time spent up to now is 42.5 secs Computing kpt #: 98 total cpu time spent up to now is 42.9 secs Computing kpt #: 99 total cpu time spent up to now is 43.3 secs Computing kpt #: 100 total cpu time spent up to now is 43.7 secs Computing kpt #: 101 total cpu time spent up to 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Computing kpt #: 117 total cpu time spent up to now is 51.5 secs Computing kpt #: 118 total cpu time spent up to now is 51.9 secs Computing kpt #: 119 total cpu time spent up to now is 52.4 secs Computing kpt #: 120 total cpu time spent up to now is 52.8 secs Computing kpt #: 121 total cpu time spent up to now is 53.3 secs Computing kpt #: 122 total cpu time spent up to now is 53.7 secs Computing kpt #: 123 total cpu time spent up to now is 54.2 secs Computing kpt #: 124 total cpu time spent up to now is 54.6 secs Computing kpt #: 125 total cpu time spent up to now is 55.1 secs Computing kpt #: 126 total cpu time spent up to now is 55.5 secs Computing kpt #: 127 total cpu time spent up to now is 56.0 secs Computing kpt #: 128 total cpu time spent up to now is 56.5 secs Computing kpt #: 129 total cpu time spent up to now is 56.9 secs Computing kpt #: 130 total cpu time spent up to now is 57.5 secs Computing kpt #: 131 total cpu time spent up to now is 57.9 secs Computing kpt #: 132 total cpu time spent up to now is 58.4 secs Computing kpt #: 133 total cpu time spent up to now is 58.8 secs Computing kpt #: 134 total cpu time spent up to now is 59.3 secs Computing kpt #: 135 total cpu time spent up to now is 59.8 secs Computing kpt #: 136 total cpu time spent up to now is 60.2 secs Computing kpt #: 137 total cpu time spent up to now is 60.6 secs Computing kpt #: 138 total cpu time spent up to now is 61.4 secs Computing kpt #: 139 total cpu time spent up to now is 62.1 secs Computing kpt #: 140 total cpu time spent up to now is 62.4 secs Computing kpt #: 141 total cpu time spent up to now is 63.1 secs Computing kpt #: 142 total cpu time spent up to now is 63.7 secs Computing kpt #: 143 total cpu time spent up to now is 64.1 secs Computing kpt #: 144 total cpu time spent up to now is 64.6 secs Computing kpt #: 145 total cpu time spent up to now is 65.0 secs Computing kpt #: 146 total cpu time spent up to now is 65.4 secs Computing kpt #: 147 total cpu time spent up to now is 65.8 secs Computing kpt #: 148 total cpu time spent up to now is 66.1 secs Computing kpt #: 149 total cpu time spent up to now is 66.6 secs Computing kpt #: 150 total cpu time spent up to now is 67.0 secs Computing kpt #: 151 total cpu time spent up to now is 67.4 secs Computing kpt #: 152 total cpu time spent up to now is 67.8 secs Computing kpt #: 153 total cpu time spent up to now is 68.3 secs Computing kpt #: 154 total cpu time spent up to now is 68.6 secs Computing kpt #: 155 total cpu time spent up to now is 69.1 secs Computing kpt #: 156 total cpu time spent up to now is 69.5 secs Computing kpt #: 157 total cpu time spent up to now is 69.9 secs Computing kpt #: 158 total cpu time spent up to now is 70.3 secs Computing kpt #: 159 total cpu time spent up to now is 70.7 secs Computing kpt #: 160 total cpu time spent up to now is 71.1 secs Computing kpt #: 161 total cpu time spent up to now is 71.5 secs Computing kpt #: 162 total cpu time spent up to now is 72.0 secs Computing kpt #: 163 total cpu time spent up to now is 72.4 secs Computing kpt #: 164 total cpu time spent up to now is 72.8 secs Computing kpt #: 165 total cpu time spent up to now is 73.2 secs Computing kpt #: 166 total cpu time spent up to now is 73.6 secs Computing kpt #: 167 total cpu time spent up to now is 74.0 secs Computing kpt #: 168 total cpu time spent up to now is 74.4 secs Computing kpt #: 169 total cpu time spent up to now is 74.7 secs Computing kpt #: 170 total cpu time spent up to now is 75.1 secs Computing kpt #: 171 total cpu time spent up to now is 75.4 secs Computing kpt #: 172 total cpu time spent up to now is 75.8 secs Computing kpt #: 173 total cpu time spent up to now is 76.3 secs Computing kpt #: 174 total cpu time spent up to now is 76.9 secs Computing kpt #: 175 total cpu time spent up to now is 77.3 secs Computing kpt #: 176 total cpu time spent up to now is 77.7 secs Computing kpt #: 177 total cpu time spent up to now is 78.1 secs Computing kpt #: 178 total cpu time spent up to now is 78.4 secs Computing kpt #: 179 total cpu time spent up to now is 78.8 secs Computing kpt #: 180 total cpu time spent up to now is 79.2 secs Computing kpt #: 181 total cpu time spent up to now is 79.6 secs Computing kpt #: 182 total cpu time spent up to now is 80.0 secs Computing kpt #: 183 total cpu time spent up to now is 80.3 secs Computing kpt #: 184 total cpu time spent up to now is 80.7 secs Computing kpt #: 185 total cpu time spent up to now is 81.1 secs Computing kpt #: 186 total cpu time spent up to now is 81.5 secs Computing kpt #: 187 total cpu time spent up to now is 82.0 secs Computing kpt #: 188 total cpu time spent up to now is 82.4 secs Computing kpt #: 189 total cpu time spent up to now is 82.8 secs Computing kpt #: 190 total cpu time spent up to now is 83.2 secs Computing kpt #: 191 total cpu time spent up to now is 83.6 secs Computing kpt #: 192 total cpu time spent up to now is 84.0 secs Computing kpt #: 193 total cpu time spent up to now is 84.4 secs Computing kpt #: 194 total cpu time spent up to now is 84.9 secs Computing kpt #: 195 total cpu time spent up to now is 85.3 secs Computing kpt #: 196 total cpu time spent up to now is 85.7 secs Computing kpt #: 197 total cpu time spent up to now is 86.2 secs Computing kpt #: 198 total cpu time spent up to now is 86.6 secs Computing kpt #: 199 total cpu time spent up to now is 87.0 secs Computing kpt #: 200 total cpu time spent up to now is 87.5 secs Computing kpt #: 201 total cpu time spent up to now is 87.9 secs Computing kpt #: 202 total cpu time spent up to now is 88.3 secs Computing kpt #: 203 total cpu time spent up to now is 88.8 secs Computing kpt #: 204 total cpu time spent up to now is 89.2 secs Computing kpt #: 205 total cpu time spent up to now is 89.6 secs Computing kpt #: 206 total cpu time spent up to now is 90.1 secs Computing kpt #: 207 total cpu time spent up to now is 90.5 secs Computing kpt #: 208 total cpu time spent up to now is 91.0 secs Computing kpt #: 209 total cpu time spent up to now is 91.5 secs Computing kpt #: 210 total cpu time spent up to now is 92.0 secs Computing kpt #: 211 total cpu time spent up to now is 92.5 secs Computing kpt #: 212 total cpu time spent up to now is 93.0 secs Computing kpt #: 213 total cpu time spent up to now is 93.5 secs Computing kpt #: 214 total cpu time spent up to now is 94.0 secs Computing kpt #: 215 total cpu time spent up to now is 94.4 secs Computing kpt #: 216 total cpu time spent up to now is 94.9 secs Computing kpt #: 217 total cpu time spent up to now is 95.4 secs Computing kpt #: 218 total cpu time spent up to now is 95.9 secs Computing kpt #: 219 total cpu time spent up to now is 96.4 secs Computing kpt #: 220 total cpu time spent up to now is 96.9 secs Computing kpt #: 221 total cpu time spent up to now is 97.4 secs Computing kpt #: 222 total cpu time spent up to now is 97.8 secs Computing kpt #: 223 total cpu time spent up to now is 98.2 secs Computing kpt #: 224 total cpu time spent up to now is 98.7 secs Computing kpt #: 225 total cpu time spent up to now is 99.1 secs Computing kpt #: 226 total cpu time spent up to now is 99.5 secs Computing kpt #: 227 total cpu time spent up to now is 100.0 secs Computing kpt #: 228 total cpu time spent up to now is 100.4 secs Computing kpt #: 229 total cpu time spent up to now is 100.8 secs Computing kpt #: 230 total cpu time spent up to now is 101.3 secs Computing kpt #: 231 total cpu time spent up to now is 101.7 secs Computing kpt #: 232 total cpu time spent up to now is 102.1 secs Computing kpt #: 233 total cpu time spent up to now is 102.6 secs Computing kpt #: 234 total cpu time spent up to now is 103.0 secs Computing kpt #: 235 total cpu time spent up to now is 103.4 secs Computing kpt #: 236 total cpu time spent up to now is 103.8 secs Computing kpt #: 237 total cpu time spent up to now is 104.3 secs Computing kpt #: 238 total cpu time spent up to now is 104.7 secs Computing kpt #: 239 total cpu time spent up to now is 105.1 secs Computing kpt #: 240 total cpu time spent up to now is 105.5 secs Computing kpt #: 241 total cpu time spent up to now is 105.9 secs Computing kpt #: 242 total cpu time spent up to now is 106.3 secs Computing kpt #: 243 total cpu time spent up to now is 106.7 secs Computing kpt #: 244 total cpu time spent up to now is 107.2 secs Computing kpt #: 245 total cpu time spent up to now is 107.6 secs Computing kpt #: 246 total cpu time spent up to now is 108.0 secs Computing kpt #: 247 total cpu time spent up to now is 108.3 secs Computing kpt #: 248 total cpu time spent up to now is 108.7 secs Computing kpt #: 249 total cpu time spent up to now is 109.0 secs Computing kpt #: 250 total cpu time spent up to now is 109.4 secs Computing kpt #: 251 total cpu time spent up to now is 109.8 secs Computing kpt #: 252 total cpu time spent up to now is 110.1 secs Computing kpt #: 253 total cpu time spent up to now is 110.5 secs Computing kpt #: 254 total cpu time spent up to now is 110.8 secs Computing kpt #: 255 total cpu time spent up to now is 111.2 secs Computing kpt #: 256 total cpu time spent up to now is 111.8 secs Computing kpt #: 257 total cpu time spent up to now is 112.2 secs Computing kpt #: 258 total cpu time spent up to now is 112.5 secs Computing kpt #: 259 total cpu time spent up to now is 112.9 secs Computing kpt #: 260 total cpu time spent up to now is 113.3 secs Computing kpt #: 261 total cpu time spent up to now is 113.7 secs Computing kpt #: 262 total cpu time spent up to now is 114.0 secs Computing kpt #: 263 total cpu time spent up to now is 114.4 secs Computing kpt #: 264 total cpu time spent up to now is 114.8 secs Computing kpt #: 265 total cpu time spent up to now is 115.1 secs Computing kpt #: 266 total cpu time spent up to now is 115.6 secs Computing kpt #: 267 total cpu time spent up to now is 116.0 secs Computing kpt #: 268 total cpu time spent up to now is 116.5 secs Computing kpt #: 269 total cpu time spent up to now is 116.9 secs Computing kpt #: 270 total cpu time spent up to now is 117.4 secs Computing kpt #: 271 total cpu time spent up to now is 117.9 secs Computing kpt #: 272 total cpu time spent up to now is 118.3 secs Computing kpt #: 273 total cpu time spent up to now is 118.8 secs Computing kpt #: 274 total cpu time spent up to now is 119.3 secs Computing kpt #: 275 total cpu time spent up to now is 119.8 secs Computing kpt #: 276 total cpu time spent up to now is 120.3 secs Computing kpt #: 277 total cpu time spent up to now is 120.7 secs Computing kpt #: 278 total cpu time spent up to now is 121.3 secs Computing kpt #: 279 total cpu time spent up to now is 121.7 secs Computing kpt #: 280 total cpu time spent up to now is 122.2 secs Computing kpt #: 281 total cpu time spent up to now is 122.7 secs Computing kpt #: 282 total cpu time spent up to now is 123.2 secs Computing kpt #: 283 total cpu time spent up to now is 123.6 secs Computing kpt #: 284 total cpu time spent up to now is 124.1 secs Computing kpt #: 285 total cpu time spent up to now is 124.5 secs Computing kpt #: 286 total cpu time spent up to now is 124.9 secs Computing kpt #: 287 total cpu time spent up to now is 125.3 secs Computing kpt #: 288 total cpu time spent up to now is 125.8 secs Computing kpt #: 289 total cpu time spent up to now is 126.2 secs Computing kpt #: 290 total cpu time spent up to now is 126.6 secs Computing kpt #: 291 total cpu time spent up to now is 127.0 secs Computing kpt #: 292 total cpu time spent up to now is 127.5 secs Computing kpt #: 293 total cpu time spent up to now is 127.9 secs Computing kpt #: 294 total cpu time spent up to now is 128.3 secs Computing kpt #: 295 total cpu time spent up to now is 128.7 secs Computing kpt #: 296 total cpu time spent up to now is 129.1 secs Computing kpt #: 297 total cpu time spent up to now is 129.5 secs Computing kpt #: 298 total cpu time spent up to now is 129.8 secs Computing kpt #: 299 total cpu time spent up to now is 130.2 secs Computing kpt #: 300 total cpu time spent up to now is 130.6 secs Computing kpt #: 301 total cpu time spent up to now is 130.9 secs Computing kpt #: 302 total cpu time spent up to now is 131.3 secs Computing kpt #: 303 total cpu time spent up to now is 131.7 secs Computing kpt #: 304 total cpu time spent up to now is 132.1 secs Computing kpt #: 305 total cpu time spent up to now is 132.5 secs Computing kpt #: 306 total cpu time spent up to now is 132.9 secs Computing kpt #: 307 total cpu time spent up to now is 133.3 secs Computing kpt #: 308 total cpu time spent up to now is 133.7 secs Computing kpt #: 309 total cpu time spent up to now is 134.1 secs Computing kpt #: 310 total cpu time spent up to now is 134.4 secs Computing kpt #: 311 total cpu time spent up to now is 134.8 secs Computing kpt #: 312 total cpu time spent up to now is 135.2 secs Computing kpt #: 313 total cpu time spent up to now is 135.5 secs Computing kpt #: 314 total cpu time spent up to now is 135.9 secs Computing kpt #: 315 total cpu time spent up to now is 136.3 secs Computing kpt #: 316 total cpu time spent up to now is 136.7 secs Computing kpt #: 317 total cpu time spent up to now is 137.1 secs Computing kpt #: 318 total cpu time spent up to now is 137.4 secs Computing kpt #: 319 total cpu time spent up to now is 137.8 secs Computing kpt #: 320 total cpu time spent up to now is 138.2 secs Computing kpt #: 321 total cpu time spent up to now is 138.6 secs Computing kpt #: 322 total cpu time spent up to now is 139.1 secs Computing kpt #: 323 total cpu time spent up to now is 139.5 secs Computing kpt #: 324 total cpu time spent up to now is 139.9 secs Computing kpt #: 325 total cpu time spent up to now is 140.3 secs Computing kpt #: 326 total cpu time spent up to now is 140.7 secs Computing kpt #: 327 total cpu time spent up to now is 141.2 secs Computing kpt #: 328 total cpu time spent up to now is 141.6 secs Computing kpt #: 329 total cpu time spent up to now is 142.1 secs Computing kpt #: 330 total cpu time spent up to now is 142.5 secs Computing kpt #: 331 total cpu time spent up to now is 143.0 secs Computing kpt #: 332 total cpu time spent up to now is 143.4 secs Computing kpt #: 333 total cpu time spent up to now is 143.9 secs Computing kpt #: 334 total cpu time spent up to now is 144.3 secs Computing kpt #: 335 total cpu time spent up to now is 144.7 secs Computing kpt #: 336 total cpu time spent up to now is 145.2 secs Computing kpt #: 337 total cpu time spent up to now is 145.7 secs Computing kpt #: 338 total cpu time spent up to now is 146.1 secs Computing kpt #: 339 total cpu time spent up to now is 146.5 secs Computing kpt #: 340 total cpu time spent up to now is 147.0 secs Computing kpt #: 341 total cpu time spent up to now is 147.4 secs Computing kpt #: 342 total cpu time spent up to now is 147.8 secs Computing kpt #: 343 total cpu time spent up to now is 148.3 secs Computing kpt #: 344 total cpu time spent up to now is 148.7 secs Computing kpt #: 345 total cpu time spent up to now is 149.2 secs Computing kpt #: 346 total cpu time spent up to now is 149.6 secs Computing kpt #: 347 total cpu time spent up to now is 150.0 secs Computing kpt #: 348 total cpu time spent up to now is 150.5 secs Computing kpt #: 349 total cpu time spent up to now is 150.9 secs Computing kpt #: 350 total cpu time spent up to now is 151.4 secs Computing kpt #: 351 total cpu time spent up to now is 151.8 secs Computing kpt #: 352 total cpu time spent up to now is 152.2 secs Computing kpt #: 353 total cpu time spent up to now is 152.7 secs Computing kpt #: 354 total cpu time spent up to now is 153.2 secs Computing kpt #: 355 total cpu time spent up to now is 153.7 secs Computing kpt #: 356 total cpu time spent up to now is 154.2 secs Computing kpt #: 357 total cpu time spent up to now is 154.7 secs Computing kpt #: 358 total cpu time spent up to now is 155.2 secs Computing kpt #: 359 total cpu time spent up to now is 155.5 secs Computing kpt #: 360 total cpu time spent up to now is 155.9 secs Computing kpt #: 361 total cpu time spent up to now is 156.2 secs Computing kpt #: 362 total cpu time spent up to now is 156.6 secs Computing kpt #: 363 total cpu time spent up to now is 157.0 secs Computing kpt #: 364 total cpu time spent up to now is 157.3 secs Computing kpt #: 365 total cpu time spent up to now is 157.7 secs Computing kpt #: 366 total cpu time spent up to now is 158.1 secs Computing kpt #: 367 total cpu time spent up to now is 158.5 secs Computing kpt #: 368 total cpu time spent up to now is 158.8 secs Computing kpt #: 369 total cpu time spent up to now is 159.2 secs Computing kpt #: 370 total cpu time spent up to now is 159.6 secs Computing kpt #: 371 total cpu time spent up to now is 159.9 secs Computing kpt #: 372 total cpu time spent up to now is 160.3 secs Computing kpt #: 373 total cpu time spent up to now is 160.7 secs Computing kpt #: 374 total cpu time spent up to now is 161.1 secs Computing kpt #: 375 total cpu time spent up to now is 161.4 secs Computing kpt #: 376 total cpu time spent up to now is 161.8 secs Computing kpt #: 377 total cpu time spent up to now is 162.2 secs Computing kpt #: 378 total cpu time spent up to now is 162.6 secs Computing kpt #: 379 total cpu time spent up to now is 163.0 secs Computing kpt #: 380 total cpu time spent up to now is 163.3 secs Computing kpt #: 381 total cpu time spent up to now is 163.7 secs Computing kpt #: 382 total cpu time spent up to now is 164.1 secs Computing kpt #: 383 total cpu time spent up to now is 164.4 secs Computing kpt #: 384 total cpu time spent up to now is 164.8 secs Computing kpt #: 385 total cpu time spent up to now is 165.2 secs Computing kpt #: 386 total cpu time spent up to now is 165.5 secs Computing kpt #: 387 total cpu time spent up to now is 165.9 secs Computing kpt #: 388 total cpu time spent up to now is 166.2 secs Computing kpt #: 389 total cpu time spent up to now is 166.6 secs Computing kpt #: 390 total cpu time spent up to now is 166.9 secs Computing kpt #: 391 total cpu time spent up to now is 167.3 secs Computing kpt #: 392 total cpu time spent up to now is 167.7 secs Computing kpt #: 393 total cpu time spent up to now is 168.0 secs Computing kpt #: 394 total cpu time spent up to now is 168.4 secs Computing kpt #: 395 total cpu time spent up to now is 168.7 secs Computing kpt #: 396 total cpu time spent up to now is 169.1 secs Computing kpt #: 397 total cpu time spent up to now is 169.5 secs Computing kpt #: 398 total cpu time spent up to now is 169.9 secs Computing kpt #: 399 total cpu time spent up to now is 170.3 secs Computing kpt #: 400 total cpu time spent up to now is 170.7 secs Computing kpt #: 401 total cpu time spent up to now is 171.1 secs Computing kpt #: 402 total cpu time spent up to now is 171.6 secs Computing kpt #: 403 total cpu time spent up to now is 171.9 secs Computing kpt #: 404 total cpu time spent up to now is 172.3 secs Computing kpt #: 405 total cpu time spent up to now is 172.7 secs Computing kpt #: 406 total cpu time spent up to now is 173.1 secs Computing kpt #: 407 total cpu time spent up to now is 173.4 secs Computing kpt #: 408 total cpu time spent up to now is 173.8 secs Computing kpt #: 409 total cpu time spent up to now is 174.2 secs Computing kpt #: 410 total cpu time spent up to now is 174.6 secs Computing kpt #: 411 total cpu time spent up to now is 174.9 secs Computing kpt #: 412 total cpu time spent up to now is 175.3 secs Computing kpt #: 413 total cpu time spent up to now is 175.7 secs Computing kpt #: 414 total cpu time spent up to now is 176.0 secs Computing kpt #: 415 total cpu time spent up to now is 176.4 secs ethr = 2.00E-08, avg # of iterations = 17.4 total cpu time spent up to now is 176.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2311 PWs) bands (ev): -54.9197 -54.9197 -54.9112 -54.9112 -29.2705 -29.2705 -29.2176 -29.2176 -28.4651 -28.4651 -28.4562 -28.4562 -28.3667 -28.3667 -28.3164 -28.3164 -9.2708 -9.2708 -7.8754 -7.8754 -7.4260 -7.4260 -7.4031 -7.4031 3.1002 3.1002 3.7002 3.7002 4.1253 4.1253 5.4645 5.4645 5.4684 5.4684 6.3066 6.3066 6.3109 6.3109 7.2764 7.2764 8.5878 8.5878 8.6949 8.6949 8.7189 8.7189 9.1711 9.1711 10.2874 10.2874 10.3404 10.3404 10.8644 10.8644 10.8815 10.8815 10.9412 10.9412 12.7412 12.7412 k = 0.0000 0.0143-0.0000 ( 2303 PWs) bands (ev): -54.9196 -54.9196 -54.9112 -54.9112 -29.2705 -29.2705 -29.2176 -29.2176 -28.4651 -28.4651 -28.4562 -28.4562 -28.3667 -28.3667 -28.3165 -28.3165 -9.2701 -9.2701 -7.8756 -7.8756 -7.4264 -7.4264 -7.4035 -7.4035 3.1016 3.1016 3.7009 3.7009 4.1266 4.1266 5.4646 5.4646 5.4685 5.4685 6.3057 6.3057 6.3101 6.3101 7.2764 7.2764 8.5860 8.5860 8.6912 8.6912 8.7151 8.7151 9.1710 9.1710 10.2888 10.2888 10.3429 10.3429 10.8656 10.8656 10.8827 10.8827 10.9431 10.9431 12.7427 12.7427 k = 0.0000 0.0286-0.0000 ( 2289 PWs) bands (ev): -54.9196 -54.9196 -54.9112 -54.9112 -29.2704 -29.2704 -29.2177 -29.2177 -28.4650 -28.4650 -28.4561 -28.4561 -28.3667 -28.3667 -28.3166 -28.3166 -9.2679 -9.2679 -7.8763 -7.8763 -7.4276 -7.4276 -7.4047 -7.4047 3.1059 3.1059 3.7031 3.7031 4.1305 4.1305 5.4650 5.4650 5.4689 5.4689 6.3023 6.3023 6.3081 6.3081 7.2764 7.2764 8.5807 8.5807 8.6793 8.6793 8.7048 8.7048 9.1707 9.1707 10.2929 10.2929 10.3504 10.3504 10.8691 10.8691 10.8863 10.8863 10.9486 10.9486 12.7471 12.7471 k = 0.0000 0.0429-0.0000 ( 2293 PWs) bands (ev): -54.9196 -54.9196 -54.9113 -54.9113 -29.2702 -29.2702 -29.2178 -29.2178 -28.4650 -28.4650 -28.4561 -28.4561 -28.3667 -28.3667 -28.3168 -28.3168 -9.2644 -9.2644 -7.8776 -7.8776 -7.4297 -7.4297 -7.4065 -7.4065 3.1131 3.1131 3.7068 3.7068 4.1370 4.1370 5.4657 5.4657 5.4696 5.4696 6.2958 6.2958 6.3056 6.3056 7.2764 7.2764 8.5717 8.5717 8.6578 8.6578 8.6901 8.6901 9.1698 9.1698 10.2997 10.2997 10.3626 10.3626 10.8748 10.8748 10.8925 10.8925 10.9578 10.9578 12.7543 12.7543 k = 0.0000 0.0571-0.0000 ( 2297 PWs) bands (ev): -54.9196 -54.9196 -54.9113 -54.9113 -29.2701 -29.2701 -29.2180 -29.2180 -28.4649 -28.4649 -28.4560 -28.4560 -28.3666 -28.3666 -28.3170 -28.3170 -9.2594 -9.2594 -7.8794 -7.8794 -7.4328 -7.4328 -7.4089 -7.4089 3.1230 3.1230 3.7118 3.7118 4.1461 4.1461 5.4665 5.4665 5.4705 5.4705 6.2864 6.2864 6.3025 6.3025 7.2764 7.2764 8.5590 8.5590 8.6268 8.6268 8.6724 8.6724 9.1680 9.1680 10.3091 10.3091 10.3791 10.3791 10.8823 10.8823 10.9015 10.9015 10.9704 10.9704 12.7645 12.7645 k = 0.0000 0.0714-0.0000 ( 2297 PWs) bands (ev): -54.9195 -54.9195 -54.9113 -54.9113 -29.2698 -29.2698 -29.2182 -29.2182 -28.4647 -28.4647 -28.4559 -28.4559 -28.3666 -28.3666 -28.3174 -28.3174 -9.2531 -9.2531 -7.8818 -7.8818 -7.4370 -7.4370 -7.4116 -7.4116 3.1356 3.1356 3.7183 3.7183 4.1578 4.1578 5.4676 5.4676 5.4718 5.4718 6.2744 6.2744 6.2985 6.2985 7.2765 7.2765 8.5418 8.5418 8.5882 8.5882 8.6519 8.6519 9.1649 9.1649 10.3207 10.3207 10.3995 10.3995 10.8913 10.8913 10.9132 10.9132 10.9863 10.9863 12.7775 12.7775 k = 0.0000 0.0857-0.0000 ( 2291 PWs) bands (ev): -54.9195 -54.9195 -54.9114 -54.9114 -29.2695 -29.2695 -29.2185 -29.2185 -28.4646 -28.4646 -28.4557 -28.4557 -28.3665 -28.3665 -28.3178 -28.3178 -9.2453 -9.2453 -7.8849 -7.8849 -7.4423 -7.4423 -7.4145 -7.4145 3.1509 3.1509 3.7261 3.7261 4.1722 4.1722 5.4688 5.4688 5.4734 5.4734 6.2598 6.2598 6.2937 6.2937 7.2767 7.2767 8.5156 8.5156 8.5478 8.5478 8.6287 8.6287 9.1602 9.1602 10.3345 10.3345 10.4232 10.4232 10.9017 10.9017 10.9277 10.9277 11.0053 11.0053 12.7934 12.7934 k = 0.0000 0.1000-0.0000 ( 2277 PWs) bands (ev): -54.9194 -54.9194 -54.9114 -54.9114 -29.2692 -29.2692 -29.2189 -29.2189 -28.4644 -28.4644 -28.4556 -28.4556 -28.3664 -28.3664 -28.3183 -28.3183 -9.2362 -9.2362 -7.8887 -7.8887 -7.4488 -7.4488 -7.4175 -7.4175 3.1688 3.1688 3.7353 3.7353 4.1893 4.1893 5.4702 5.4702 5.4753 5.4753 6.2428 6.2428 6.2878 6.2878 7.2771 7.2771 8.4708 8.4708 8.5164 8.5164 8.6034 8.6034 9.1536 9.1536 10.3502 10.3502 10.4496 10.4496 10.9135 10.9135 10.9447 10.9447 11.0273 11.0273 12.8121 12.8121 k = 0.0000 0.1143-0.0000 ( 2277 PWs) bands (ev): -54.9194 -54.9194 -54.9115 -54.9115 -29.2688 -29.2688 -29.2193 -29.2193 -28.4642 -28.4642 -28.4554 -28.4554 -28.3663 -28.3663 -28.3188 -28.3188 -9.2256 -9.2256 -7.8933 -7.8933 -7.4563 -7.4563 -7.4205 -7.4205 3.1891 3.1891 3.7457 3.7457 4.2091 4.2091 5.4717 5.4717 5.4774 5.4774 6.2236 6.2236 6.2808 6.2808 7.2776 7.2776 8.4121 8.4121 8.4902 8.4902 8.5764 8.5764 9.1450 9.1450 10.3676 10.3676 10.4781 10.4781 10.9267 10.9267 10.9638 10.9638 11.0518 11.0518 12.8334 12.8334 k = 0.0000 0.1286-0.0000 ( 2277 PWs) bands (ev): -54.9193 -54.9193 -54.9115 -54.9115 -29.2684 -29.2684 -29.2197 -29.2197 -28.4639 -28.4639 -28.4552 -28.4552 -28.3662 -28.3662 -28.3194 -28.3194 -9.2137 -9.2137 -7.8988 -7.8988 -7.4647 -7.4647 -7.4236 -7.4236 3.2117 3.2117 3.7574 3.7574 4.2316 4.2316 5.4733 5.4733 5.4799 5.4799 6.2024 6.2024 6.2727 6.2727 7.2783 7.2783 8.3461 8.3461 8.4635 8.4635 8.5482 8.5482 9.1344 9.1344 10.3864 10.3864 10.5081 10.5081 10.9411 10.9411 10.9849 10.9849 11.0786 11.0786 12.8563 12.8563 k = 0.0000 0.1429-0.0000 ( 2281 PWs) bands (ev): -54.9192 -54.9192 -54.9116 -54.9116 -29.2679 -29.2679 -29.2202 -29.2202 -28.4637 -28.4637 -28.4550 -28.4550 -28.3661 -28.3661 -28.3201 -28.3201 -9.2005 -9.2005 -7.9054 -7.9054 -7.4736 -7.4736 -7.4268 -7.4268 3.2365 3.2365 3.7702 3.7702 4.2570 4.2570 5.4751 5.4751 5.4825 5.4825 6.1793 6.1793 6.2633 6.2633 7.2793 7.2793 8.2747 8.2747 8.4354 8.4354 8.5195 8.5195 9.1217 9.1217 10.4064 10.4064 10.5390 10.5390 10.9568 10.9568 11.0076 11.0076 11.1076 11.1076 12.8776 12.8776 k = 0.0000 0.1571-0.0000 ( 2285 PWs) bands (ev): -54.9191 -54.9191 -54.9117 -54.9117 -29.2673 -29.2673 -29.2207 -29.2207 -28.4634 -28.4634 -28.4548 -28.4548 -28.3659 -28.3659 -28.3209 -28.3209 -9.1860 -9.1860 -7.9131 -7.9131 -7.4830 -7.4830 -7.4302 -7.4302 3.2634 3.2634 3.7840 3.7840 4.2853 4.2853 5.4770 5.4770 5.4854 5.4854 6.1545 6.1545 6.2526 6.2526 7.2807 7.2807 8.1986 8.1986 8.4057 8.4057 8.4907 8.4907 9.1070 9.1070 10.4275 10.4275 10.5704 10.5704 10.9738 10.9738 11.0317 11.0317 11.1385 11.1385 12.8850 12.8850 k = 0.0000 0.1714-0.0000 ( 2285 PWs) bands (ev): -54.9190 -54.9190 -54.9118 -54.9118 -29.2668 -29.2668 -29.2213 -29.2213 -28.4631 -28.4631 -28.4546 -28.4546 -28.3657 -28.3657 -28.3217 -28.3217 -9.1701 -9.1701 -7.9221 -7.9221 -7.4926 -7.4926 -7.4337 -7.4337 3.2921 3.2921 3.7989 3.7989 4.3165 4.3165 5.4790 5.4790 5.4885 5.4885 6.1282 6.1282 6.2404 6.2404 7.2825 7.2825 8.1185 8.1185 8.3744 8.3744 8.4625 8.4625 9.0904 9.0904 10.4494 10.4494 10.6017 10.6017 10.9918 10.9918 11.0568 11.0568 11.1711 11.1711 12.8737 12.8737 k = 0.0000 0.1857-0.0000 ( 2277 PWs) bands (ev): -54.9189 -54.9189 -54.9119 -54.9119 -29.2661 -29.2661 -29.2220 -29.2220 -28.4628 -28.4628 -28.4544 -28.4544 -28.3655 -28.3655 -28.3226 -28.3226 -9.1530 -9.1530 -7.9326 -7.9326 -7.5022 -7.5022 -7.4374 -7.4374 3.3224 3.3224 3.8146 3.8146 4.3507 4.3507 5.4812 5.4812 5.4917 5.4917 6.1007 6.1007 6.2268 6.2268 7.2847 7.2847 8.0349 8.0349 8.3418 8.3418 8.4352 8.4352 9.0719 9.0719 10.4720 10.4720 10.6327 10.6327 11.0110 11.0110 11.0827 11.0827 11.2051 11.2051 12.8550 12.8550 k = 0.0000 0.2000-0.0000 ( 2277 PWs) bands (ev): -54.9188 -54.9188 -54.9120 -54.9120 -29.2655 -29.2655 -29.2226 -29.2226 -28.4624 -28.4624 -28.4541 -28.4541 -28.3653 -28.3653 -28.3235 -28.3235 -9.1346 -9.1346 -7.9445 -7.9445 -7.5116 -7.5116 -7.4413 -7.4413 3.3543 3.3543 3.8311 3.8311 4.3878 4.3878 5.4834 5.4834 5.4950 5.4950 6.0722 6.0722 6.2117 6.2117 7.2875 7.2875 7.9481 7.9481 8.3079 8.3079 8.4093 8.4093 9.0517 9.0517 10.4951 10.4951 10.6629 10.6629 11.0310 11.0310 11.1091 11.1091 11.2404 11.2404 12.8330 12.8330 k = 0.0000 0.2143-0.0000 ( 2281 PWs) bands (ev): -54.9187 -54.9187 -54.9121 -54.9121 -29.2647 -29.2647 -29.2234 -29.2234 -28.4620 -28.4620 -28.4539 -28.4539 -28.3650 -28.3650 -28.3245 -28.3245 -9.1150 -9.1150 -7.9582 -7.9582 -7.5206 -7.5206 -7.4454 -7.4454 3.3874 3.3874 3.8482 3.8482 4.4281 4.4281 5.4858 5.4858 5.4983 5.4983 6.0430 6.0430 6.1950 6.1950 7.2910 7.2910 7.8585 7.8585 8.2730 8.2730 8.3852 8.3852 9.0299 9.0299 10.5186 10.5186 10.6920 10.6920 11.0519 11.0519 11.1357 11.1357 11.2769 11.2769 12.8090 12.8090 k = 0.0000 0.2286-0.0000 ( 2281 PWs) bands (ev): -54.9186 -54.9186 -54.9123 -54.9123 -29.2640 -29.2640 -29.2241 -29.2241 -28.4616 -28.4616 -28.4537 -28.4537 -28.3647 -28.3647 -28.3256 -28.3256 -9.0942 -9.0942 -7.9736 -7.9736 -7.5289 -7.5289 -7.4496 -7.4496 3.4217 3.4217 3.8659 3.8659 4.4714 4.4714 5.4883 5.4883 5.5017 5.5017 6.0132 6.0132 6.1768 6.1768 7.2951 7.2951 7.7664 7.7664 8.2372 8.2372 8.3632 8.3632 9.0066 9.0066 10.5422 10.5422 10.7197 10.7197 11.0734 11.0734 11.1623 11.1623 11.3144 11.3144 12.7833 12.7833 k = 0.0000 0.2429-0.0000 ( 2277 PWs) bands (ev): -54.9184 -54.9184 -54.9124 -54.9124 -29.2632 -29.2632 -29.2249 -29.2249 -28.4612 -28.4612 -28.4535 -28.4535 -28.3643 -28.3643 -28.3266 -28.3266 -9.0722 -9.0722 -7.9908 -7.9908 -7.5366 -7.5366 -7.4539 -7.4539 3.4568 3.4568 3.8838 3.8838 4.5179 4.5179 5.4909 5.4909 5.5050 5.5050 5.9832 5.9832 6.1570 6.1570 7.3000 7.3000 7.6721 7.6721 8.2008 8.2008 8.3435 8.3435 8.9818 8.9818 10.5660 10.5660 10.7459 10.7459 11.0955 11.0955 11.1887 11.1887 11.3527 11.3527 12.7561 12.7561 k = 0.0000 0.2571-0.0000 ( 2277 PWs) bands (ev): -54.9183 -54.9183 -54.9125 -54.9125 -29.2624 -29.2624 -29.2258 -29.2258 -28.4608 -28.4608 -28.4533 -28.4533 -28.3639 -28.3639 -28.3278 -28.3278 -9.0491 -9.0491 -8.0098 -8.0098 -7.5434 -7.5434 -7.4584 -7.4584 3.4927 3.4927 3.9020 3.9020 4.5676 4.5676 5.4935 5.4935 5.5084 5.5084 5.9532 5.9532 6.1357 6.1357 7.3057 7.3057 7.5759 7.5759 8.1638 8.1638 8.3265 8.3265 8.9559 8.9559 10.5896 10.5896 10.7704 10.7704 11.1181 11.1181 11.2147 11.2147 11.3917 11.3917 12.7276 12.7276 k = 0.0000 0.2714-0.0000 ( 2279 PWs) bands (ev): -54.9182 -54.9182 -54.9126 -54.9126 -29.2615 -29.2615 -29.2267 -29.2267 -28.4604 -28.4604 -28.4531 -28.4531 -28.3635 -28.3635 -28.3289 -28.3289 -9.0249 -9.0249 -8.0306 -8.0306 -7.5494 -7.5494 -7.4631 -7.4631 3.5290 3.5290 3.9201 3.9201 4.6204 4.6204 5.4962 5.4962 5.5116 5.5116 5.9235 5.9235 6.1129 6.1129 7.3124 7.3124 7.4781 7.4781 8.1264 8.1264 8.3122 8.3122 8.9288 8.9288 10.6131 10.6131 10.7930 10.7930 11.1410 11.1410 11.2399 11.2399 11.4314 11.4314 12.6978 12.6978 k = 0.0000 0.2857-0.0000 ( 2273 PWs) bands (ev): -54.9180 -54.9180 -54.9128 -54.9128 -29.2606 -29.2606 -29.2276 -29.2276 -28.4600 -28.4600 -28.4529 -28.4529 -28.3630 -28.3630 -28.3301 -28.3301 -8.9996 -8.9996 -8.0532 -8.0532 -7.5544 -7.5544 -7.4678 -7.4678 3.5655 3.5655 3.9379 3.9379 4.6765 4.6765 5.4989 5.4989 5.5147 5.5147 5.8944 5.8944 6.0889 6.0889 7.3200 7.3200 7.3789 7.3789 8.0888 8.0888 8.3009 8.3009 8.9007 8.9007 10.6363 10.6363 10.8137 10.8137 11.1640 11.1640 11.2642 11.2642 11.4717 11.4717 12.6668 12.6668 k = 0.0000 0.3000-0.0000 ( 2273 PWs) bands (ev): -54.9179 -54.9179 -54.9129 -54.9129 -29.2596 -29.2596 -29.2285 -29.2285 -28.4595 -28.4595 -28.4528 -28.4528 -28.3625 -28.3625 -28.3314 -28.3314 -8.9733 -8.9733 -8.0774 -8.0774 -7.5584 -7.5584 -7.4727 -7.4727 3.6022 3.6022 3.9553 3.9553 4.7357 4.7357 5.5017 5.5017 5.5177 5.5177 5.8661 5.8661 6.0636 6.0636 7.2785 7.2785 7.3287 7.3287 8.0512 8.0512 8.2924 8.2924 8.8718 8.8718 10.6591 10.6591 10.8324 10.8324 11.1870 11.1870 11.2875 11.2875 11.5124 11.5124 12.6346 12.6347 k = 0.0000 0.3143-0.0000 ( 2281 PWs) bands (ev): -54.9177 -54.9177 -54.9131 -54.9131 -29.2587 -29.2587 -29.2295 -29.2295 -28.4591 -28.4591 -28.4527 -28.4527 -28.3619 -28.3619 -28.3327 -28.3327 -8.9460 -8.9460 -8.1033 -8.1033 -7.5616 -7.5616 -7.4777 -7.4777 3.6387 3.6387 3.9720 3.9720 4.7980 4.7980 5.5045 5.5045 5.5205 5.5205 5.8391 5.8391 6.0374 6.0374 7.1772 7.1772 7.3384 7.3384 8.0136 8.0136 8.2870 8.2870 8.8421 8.8421 10.6813 10.6813 10.8490 10.8490 11.2098 11.2098 11.3094 11.3094 11.5536 11.5536 12.6015 12.6015 k = 0.0000 0.3286-0.0000 ( 2281 PWs) bands (ev): -54.9175 -54.9175 -54.9133 -54.9133 -29.2577 -29.2577 -29.2305 -29.2305 -28.4586 -28.4586 -28.4526 -28.4526 -28.3613 -28.3613 -28.3340 -28.3340 -8.9177 -8.9177 -8.1307 -8.1307 -7.5638 -7.5638 -7.4827 -7.4827 3.6749 3.6749 3.9877 3.9877 4.8634 4.8634 5.5073 5.5073 5.5231 5.5231 5.8136 5.8136 6.0103 6.0103 7.0752 7.0752 7.3493 7.3493 7.9762 7.9762 8.2845 8.2845 8.8118 8.8118 10.7030 10.7030 10.8636 10.8636 11.2323 11.2323 11.3299 11.3299 11.5951 11.5951 12.5673 12.5673 k = 0.0000 0.3429-0.0000 ( 2273 PWs) bands (ev): -54.9174 -54.9174 -54.9134 -54.9134 -29.2566 -29.2566 -29.2315 -29.2315 -28.4582 -28.4582 -28.4525 -28.4525 -28.3606 -28.3606 -28.3353 -28.3353 -8.8886 -8.8886 -8.1593 -8.1593 -7.5652 -7.5652 -7.4878 -7.4878 3.7106 3.7106 4.0022 4.0022 4.9319 4.9319 5.5100 5.5100 5.5255 5.5255 5.7899 5.7899 5.9827 5.9827 6.9726 6.9726 7.3613 7.3613 7.9392 7.9392 8.2850 8.2850 8.7811 8.7811 10.7240 10.7240 10.8761 10.8761 11.2544 11.2544 11.3488 11.3488 11.6370 11.6370 12.5323 12.5323 k = 0.0000 0.3571-0.0000 ( 2273 PWs) bands (ev): -54.9172 -54.9172 -54.9136 -54.9136 -29.2556 -29.2556 -29.2326 -29.2326 -28.4577 -28.4577 -28.4524 -28.4524 -28.3598 -28.3598 -28.3366 -28.3366 -8.8587 -8.8587 -8.1892 -8.1892 -7.5659 -7.5659 -7.4930 -7.4930 3.7455 3.7455 4.0151 4.0151 5.0033 5.0033 5.5127 5.5127 5.5276 5.5276 5.7684 5.7684 5.9547 5.9547 6.8698 6.8698 7.3746 7.3746 7.9025 7.9025 8.2883 8.2883 8.7500 8.7500 10.7443 10.7443 10.8866 10.8866 11.2758 11.2758 11.3659 11.3659 11.6790 11.6790 12.4963 12.4963 k = 0.0000 0.3714-0.0000 ( 2275 PWs) bands (ev): -54.9170 -54.9170 -54.9137 -54.9137 -29.2545 -29.2545 -29.2337 -29.2337 -28.4573 -28.4573 -28.4524 -28.4524 -28.3590 -28.3590 -28.3379 -28.3379 -8.8279 -8.8279 -8.2202 -8.2202 -7.5658 -7.5658 -7.4982 -7.4982 3.7795 3.7795 4.0263 4.0263 5.0776 5.0776 5.5154 5.5154 5.5295 5.5295 5.7492 5.7492 5.9268 5.9268 6.7668 6.7668 7.3892 7.3892 7.8664 7.8664 8.2945 8.2945 8.7187 8.7187 10.7636 10.7636 10.8950 10.8950 11.2964 11.2964 11.3811 11.3811 11.7212 11.7212 12.4596 12.4596 k = 0.0000 0.3857-0.0000 ( 2275 PWs) bands (ev): -54.9169 -54.9169 -54.9139 -54.9139 -29.2534 -29.2534 -29.2348 -29.2348 -28.4568 -28.4568 -28.4524 -28.4524 -28.3582 -28.3582 -28.3393 -28.3393 -8.7965 -8.7965 -8.2521 -8.2521 -7.5650 -7.5650 -7.5033 -7.5033 3.8124 3.8124 4.0354 4.0354 5.1546 5.1546 5.5179 5.5179 5.5310 5.5310 5.7328 5.7328 5.8992 5.8992 6.6640 6.6640 7.4051 7.4051 7.8310 7.8310 8.3033 8.3033 8.6875 8.6875 10.7821 10.7821 10.9016 10.9016 11.3161 11.3161 11.3943 11.3943 11.7636 11.7636 12.4221 12.4221 k = 0.0000 0.4000-0.0000 ( 2271 PWs) bands (ev): -54.9167 -54.9167 -54.9141 -54.9141 -29.2523 -29.2523 -29.2359 -29.2359 -28.4564 -28.4564 -28.4525 -28.4525 -28.3573 -28.3573 -28.3406 -28.3406 -8.7643 -8.7643 -8.2848 -8.2848 -7.5637 -7.5637 -7.5085 -7.5085 3.8440 3.8440 4.0422 4.0422 5.2342 5.2342 5.5204 5.5204 5.5323 5.5323 5.7193 5.7193 5.8723 5.8723 6.5613 6.5613 7.4223 7.4223 7.7962 7.7962 8.3147 8.3147 8.6563 8.6563 10.7996 10.7996 10.9062 10.9062 11.3346 11.3346 11.4054 11.4054 11.8061 11.8061 12.3840 12.3840 k = 0.0000 0.4143-0.0000 ( 2271 PWs) bands (ev): -54.9165 -54.9165 -54.9143 -54.9143 -29.2511 -29.2511 -29.2371 -29.2371 -28.4560 -28.4560 -28.4526 -28.4526 -28.3564 -28.3564 -28.3420 -28.3420 -8.7316 -8.7316 -8.3182 -8.3182 -7.5618 -7.5618 -7.5136 -7.5136 3.8741 3.8741 4.0464 4.0464 5.3161 5.3161 5.5227 5.5227 5.5333 5.5333 5.7090 5.7090 5.8465 5.8465 6.4592 6.4592 7.4408 7.4408 7.7623 7.7623 8.3284 8.3284 8.6253 8.6253 10.8160 10.8160 10.9089 10.9089 11.3518 11.3518 11.4143 11.4143 11.8486 11.8486 12.3451 12.3451 k = 0.0000 0.4286-0.0000 ( 2268 PWs) bands (ev): -54.9163 -54.9163 -54.9144 -54.9144 -29.2500 -29.2500 -29.2382 -29.2382 -28.4556 -28.4556 -28.4527 -28.4527 -28.3554 -28.3554 -28.3433 -28.3433 -8.6983 -8.6983 -8.3522 -8.3522 -7.5595 -7.5595 -7.5186 -7.5186 3.9023 3.9023 4.0478 4.0478 5.4002 5.4002 5.5248 5.5248 5.5340 5.5340 5.7020 5.7020 5.8222 5.8222 6.3577 6.3577 7.4606 7.4606 7.7293 7.7293 8.3445 8.3445 8.5948 8.5948 10.8314 10.8314 10.9098 10.9098 11.3677 11.3677 11.4210 11.4210 11.8911 11.8911 12.3058 12.3058 k = 0.0000 0.4429-0.0000 ( 2268 PWs) bands (ev): -54.9162 -54.9162 -54.9146 -54.9146 -29.2488 -29.2488 -29.2394 -29.2394 -28.4552 -28.4552 -28.4529 -28.4529 -28.3543 -28.3543 -28.3446 -28.3446 -8.6645 -8.6645 -8.3865 -8.3865 -7.5567 -7.5567 -7.5236 -7.5236 3.9287 3.9287 4.0464 4.0464 5.4859 5.4859 5.5269 5.5269 5.5344 5.5344 5.6983 5.6983 5.8000 5.8000 6.2570 6.2570 7.4818 7.4818 7.6972 7.6972 8.3626 8.3626 8.5648 8.5648 10.8455 10.8455 10.9089 10.9089 11.3819 11.3819 11.4254 11.4254 11.9335 11.9335 12.2659 12.2659 k = 0.0000 0.4571-0.0000 ( 2270 PWs) bands (ev): -54.9160 -54.9160 -54.9148 -54.9148 -29.2477 -29.2477 -29.2405 -29.2405 -28.4548 -28.4548 -28.4530 -28.4530 -28.3532 -28.3532 -28.3459 -28.3459 -8.6303 -8.6303 -8.4212 -8.4212 -7.5535 -7.5535 -7.5284 -7.5284 3.9528 3.9528 4.0419 4.0419 5.5285 5.5285 5.5342 5.5342 5.5728 5.5728 5.6980 5.6980 5.7813 5.7813 6.1575 6.1575 7.5043 7.5043 7.6661 7.6661 8.3827 8.3827 8.5355 8.5355 10.8584 10.8584 10.9064 10.9064 11.3944 11.3944 11.4276 11.4276 11.9759 11.9759 12.2255 12.2255 k = 0.0000 0.4714-0.0000 ( 2272 PWs) bands (ev): -54.9158 -54.9158 -54.9150 -54.9150 -29.2465 -29.2465 -29.2417 -29.2417 -28.4545 -28.4545 -28.4532 -28.4532 -28.3521 -28.3521 -28.3472 -28.3472 -8.5958 -8.5958 -8.4561 -8.4561 -7.5500 -7.5500 -7.5332 -7.5332 3.9746 3.9746 4.0344 4.0344 5.5301 5.5301 5.5340 5.5340 5.6556 5.6556 5.7009 5.7009 5.7706 5.7706 6.0594 6.0594 7.5282 7.5282 7.6362 7.6362 8.4046 8.4046 8.5070 8.5070 10.8700 10.8700 10.9021 10.9021 11.4051 11.4051 11.4275 11.4275 12.0181 12.0181 12.1846 12.1846 k = 0.0000 0.4857-0.0000 ( 2272 PWs) bands (ev): -54.9157 -54.9157 -54.9151 -54.9151 -29.2453 -29.2453 -29.2429 -29.2429 -28.4542 -28.4542 -28.4535 -28.4535 -28.3510 -28.3510 -28.3485 -28.3485 -8.5611 -8.5611 -8.4911 -8.4911 -7.5461 -7.5461 -7.5377 -7.5377 3.9938 3.9938 4.0238 4.0238 5.5315 5.5315 5.5335 5.5335 5.7060 5.7060 5.7087 5.7087 5.7942 5.7942 5.9634 5.9634 7.5533 7.5533 7.6074 7.6074 8.4282 8.4282 8.4795 8.4795 10.8802 10.8802 10.8963 10.8963 11.4139 11.4139 11.4251 11.4251 12.0601 12.0601 12.1434 12.1434 k = 0.0000 0.5000-0.0000 ( 2280 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4540 -28.4540 -28.4536 -28.4536 -28.3499 -28.3499 -28.3496 -28.3496 -8.5261 -8.5261 -8.5261 -8.5261 -7.5420 -7.5420 -7.5420 -7.5420 4.0102 4.0102 4.0103 4.0103 5.5326 5.5326 5.5327 5.5327 5.7123 5.7123 5.7124 5.7124 5.8714 5.8714 5.8715 5.8715 7.5797 7.5797 7.5797 7.5797 8.4532 8.4532 8.4532 8.4532 10.8889 10.8889 10.8891 10.8891 11.4204 11.4204 11.4207 11.4207 12.1018 12.1018 12.1021 12.1021 k = 0.0000 0.5000-0.0000 ( 2280 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4540 -28.4540 -28.4536 -28.4536 -28.3499 -28.3499 -28.3496 -28.3496 -8.5261 -8.5261 -8.5261 -8.5261 -7.5420 -7.5420 -7.5420 -7.5420 4.0102 4.0102 4.0103 4.0103 5.5326 5.5326 5.5327 5.5327 5.7123 5.7123 5.7124 5.7124 5.8714 5.8714 5.8715 5.8715 7.5797 7.5797 7.5797 7.5797 8.4532 8.4532 8.4532 8.4532 10.8889 10.8889 10.8891 10.8891 11.4204 11.4204 11.4207 11.4207 12.1018 12.1018 12.1021 12.1021 k = 0.0143 0.5000-0.0000 ( 2276 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4540 -28.4540 -28.4536 -28.4536 -28.3499 -28.3499 -28.3495 -28.3495 -8.5261 -8.5261 -8.5261 -8.5261 -7.5421 -7.5421 -7.5420 -7.5420 4.0087 4.0087 4.0087 4.0087 5.5323 5.5323 5.5324 5.5324 5.7077 5.7077 5.7077 5.7077 5.8796 5.8796 5.8796 5.8796 7.5804 7.5804 7.5805 7.5805 8.4514 8.4514 8.4514 8.4514 10.8880 10.8880 10.8882 10.8882 11.4193 11.4193 11.4196 11.4196 12.1026 12.1026 12.1029 12.1029 k = 0.0286 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4541 -28.4541 -28.4537 -28.4537 -28.3498 -28.3498 -28.3495 -28.3495 -8.5260 -8.5260 -8.5260 -8.5260 -7.5421 -7.5421 -7.5421 -7.5421 4.0040 4.0040 4.0041 4.0041 5.5314 5.5314 5.5315 5.5315 5.6961 5.6961 5.6962 5.6962 5.9016 5.9016 5.9016 5.9016 7.5826 7.5826 7.5827 7.5827 8.4461 8.4461 8.4461 8.4461 10.8853 10.8853 10.8855 10.8855 11.4161 11.4161 11.4164 11.4164 12.1051 12.1051 12.1053 12.1053 k = 0.0429 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4542 -28.4542 -28.4538 -28.4538 -28.3498 -28.3498 -28.3494 -28.3494 -8.5257 -8.5257 -8.5257 -8.5257 -7.5423 -7.5423 -7.5422 -7.5422 3.9964 3.9964 3.9964 3.9964 5.5301 5.5301 5.5302 5.5302 5.6819 5.6819 5.6820 5.6820 5.9330 5.9330 5.9330 5.9330 7.5862 7.5862 7.5863 7.5863 8.4373 8.4373 8.4373 8.4373 10.8808 10.8808 10.8811 10.8811 11.4108 11.4108 11.4111 11.4111 12.1091 12.1091 12.1093 12.1093 k = 0.0571 0.5000-0.0000 ( 2272 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2444 -29.2444 -29.2440 -29.2440 -28.4543 -28.4543 -28.4539 -28.4539 -28.3496 -28.3496 -28.3492 -28.3492 -8.5254 -8.5254 -8.5254 -8.5254 -7.5424 -7.5424 -7.5424 -7.5424 3.9859 3.9859 3.9859 3.9859 5.5281 5.5281 5.5282 5.5282 5.6680 5.6680 5.6681 5.6681 5.9707 5.9707 5.9707 5.9707 7.5913 7.5913 7.5913 7.5913 8.4251 8.4251 8.4251 8.4251 10.8745 10.8745 10.8748 10.8748 11.4034 11.4034 11.4037 11.4037 12.1146 12.1146 12.1149 12.1149 k = 0.0714 0.5000-0.0000 ( 2272 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2444 -29.2444 -29.2440 -29.2440 -28.4544 -28.4544 -28.4540 -28.4540 -28.3495 -28.3495 -28.3491 -28.3491 -8.5250 -8.5250 -8.5250 -8.5250 -7.5427 -7.5427 -7.5426 -7.5426 3.9726 3.9726 3.9726 3.9726 5.5257 5.5257 5.5258 5.5258 5.6560 5.6560 5.6561 5.6561 6.0130 6.0130 6.0130 6.0130 7.5977 7.5977 7.5977 7.5977 8.4096 8.4096 8.4096 8.4096 10.8664 10.8664 10.8667 10.8667 11.3940 11.3940 11.3943 11.3943 12.1216 12.1216 12.1219 12.1219 k = 0.0857 0.5000-0.0000 ( 2278 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2444 -29.2444 -29.2440 -29.2440 -28.4546 -28.4546 -28.4542 -28.4542 -28.3493 -28.3493 -28.3489 -28.3489 -8.5246 -8.5246 -8.5246 -8.5246 -7.5429 -7.5429 -7.5429 -7.5429 3.9569 3.9569 3.9569 3.9569 5.5227 5.5227 5.5228 5.5228 5.6467 5.6467 5.6467 5.6467 6.0588 6.0588 6.0588 6.0588 7.6054 7.6054 7.6055 7.6055 8.3910 8.3910 8.3910 8.3910 10.8566 10.8566 10.8569 10.8569 11.3827 11.3827 11.3830 11.3830 12.1299 12.1299 12.1302 12.1302 k = 0.1000 0.5000-0.0000 ( 2278 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2445 -29.2445 -29.2441 -29.2441 -28.4548 -28.4548 -28.4544 -28.4544 -28.3490 -28.3490 -28.3486 -28.3486 -8.5240 -8.5240 -8.5240 -8.5240 -7.5432 -7.5432 -7.5432 -7.5432 3.9388 3.9388 3.9388 3.9388 5.5194 5.5194 5.5194 5.5194 5.6403 5.6403 5.6403 5.6403 6.1073 6.1073 6.1074 6.1074 7.6144 7.6144 7.6145 7.6145 8.3694 8.3694 8.3694 8.3694 10.8450 10.8450 10.8453 10.8453 11.3695 11.3695 11.3698 11.3698 12.1396 12.1396 12.1398 12.1398 k = 0.1143 0.5000-0.0000 ( 2274 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2445 -29.2445 -29.2441 -29.2441 -28.4550 -28.4550 -28.4546 -28.4546 -28.3488 -28.3488 -28.3484 -28.3484 -8.5234 -8.5234 -8.5234 -8.5234 -7.5436 -7.5436 -7.5436 -7.5436 3.9188 3.9188 3.9188 3.9188 5.5156 5.5156 5.5156 5.5156 5.6372 5.6372 5.6372 5.6372 6.1581 6.1581 6.1581 6.1581 7.6246 7.6246 7.6247 7.6247 8.3451 8.3451 8.3451 8.3451 10.8317 10.8317 10.8320 10.8320 11.3547 11.3547 11.3550 11.3550 12.1503 12.1503 12.1506 12.1506 k = 0.1286 0.5000-0.0000 ( 2274 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2446 -29.2446 -29.2442 -29.2442 -28.4553 -28.4553 -28.4549 -28.4549 -28.3485 -28.3485 -28.3481 -28.3481 -8.5228 -8.5228 -8.5227 -8.5227 -7.5440 -7.5440 -7.5440 -7.5440 3.8970 3.8970 3.8970 3.8970 5.5114 5.5114 5.5115 5.5115 5.6372 5.6372 5.6372 5.6372 6.2106 6.2106 6.2106 6.2106 7.6359 7.6359 7.6360 7.6360 8.3182 8.3182 8.3182 8.3182 10.8167 10.8167 10.8169 10.8169 11.3382 11.3382 11.3385 11.3385 12.1621 12.1621 12.1624 12.1624 k = 0.1429 0.5000-0.0000 ( 2270 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2446 -29.2446 -29.2442 -29.2442 -28.4555 -28.4555 -28.4552 -28.4552 -28.3481 -28.3481 -28.3478 -28.3478 -8.5220 -8.5220 -8.5220 -8.5220 -7.5444 -7.5444 -7.5444 -7.5444 3.8737 3.8737 3.8737 3.8737 5.5068 5.5068 5.5069 5.5069 5.6405 5.6405 5.6405 5.6405 6.2645 6.2645 6.2645 6.2645 7.6483 7.6483 7.6483 7.6483 8.2891 8.2891 8.2891 8.2891 10.8000 10.8000 10.8002 10.8002 11.3204 11.3204 11.3207 11.3207 12.1747 12.1747 12.1750 12.1750 k = 0.1571 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2447 -29.2447 -29.2443 -29.2443 -28.4558 -28.4558 -28.4555 -28.4555 -28.3478 -28.3478 -28.3474 -28.3474 -8.5212 -8.5212 -8.5212 -8.5212 -7.5449 -7.5449 -7.5448 -7.5448 3.8492 3.8492 3.8492 3.8492 5.5020 5.5020 5.5021 5.5021 5.6470 5.6470 5.6470 5.6470 6.3192 6.3192 6.3192 6.3192 7.6616 7.6616 7.6617 7.6617 8.2580 8.2580 8.2580 8.2580 10.7816 10.7816 10.7819 10.7819 11.3012 11.3012 11.3015 11.3015 12.1881 12.1881 12.1884 12.1884 k = 0.1714 0.5000-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2447 -29.2447 -29.2443 -29.2443 -28.4561 -28.4561 -28.4558 -28.4558 -28.3475 -28.3475 -28.3471 -28.3471 -8.5204 -8.5204 -8.5204 -8.5204 -7.5453 -7.5453 -7.5453 -7.5453 3.8238 3.8238 3.8239 3.8239 5.4970 5.4970 5.4970 5.4970 5.6564 5.6564 5.6564 5.6564 6.3744 6.3744 6.3744 6.3744 7.6758 7.6758 7.6758 7.6758 8.2252 8.2252 8.2253 8.2253 10.7617 10.7617 10.7619 10.7619 11.2809 11.2809 11.2812 11.2812 12.2020 12.2020 12.2023 12.2023 k = 0.1857 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2448 -29.2448 -29.2444 -29.2444 -28.4565 -28.4565 -28.4561 -28.4561 -28.3471 -28.3471 -28.3467 -28.3467 -8.5195 -8.5195 -8.5195 -8.5195 -7.5459 -7.5459 -7.5458 -7.5458 3.7978 3.7978 3.7978 3.7978 5.4917 5.4917 5.4918 5.4918 5.6688 5.6688 5.6688 5.6688 6.4296 6.4296 6.4296 6.4296 7.6907 7.6907 7.6908 7.6908 8.1912 8.1912 8.1912 8.1912 10.7402 10.7402 10.7405 10.7405 11.2596 11.2596 11.2599 11.2599 12.2164 12.2164 12.2167 12.2167 k = 0.2000 0.5000-0.0000 ( 2272 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2449 -29.2449 -29.2445 -29.2445 -28.4568 -28.4568 -28.4564 -28.4564 -28.3467 -28.3467 -28.3463 -28.3463 -8.5186 -8.5186 -8.5185 -8.5185 -7.5464 -7.5464 -7.5464 -7.5464 3.7714 3.7714 3.7714 3.7714 5.4862 5.4862 5.4863 5.4863 5.6839 5.6839 5.6839 5.6839 6.4844 6.4844 6.4845 6.4845 7.7063 7.7063 7.7063 7.7063 8.1563 8.1563 8.1563 8.1563 10.7174 10.7174 10.7176 10.7176 11.2375 11.2375 11.2378 11.2378 12.2311 12.2311 12.2313 12.2313 k = 0.2143 0.5000-0.0000 ( 2272 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2449 -29.2449 -29.2445 -29.2445 -28.4571 -28.4571 -28.4568 -28.4568 -28.3463 -28.3463 -28.3460 -28.3460 -8.5176 -8.5176 -8.5176 -8.5176 -7.5469 -7.5469 -7.5469 -7.5469 3.7448 3.7448 3.7448 3.7448 5.4807 5.4807 5.4808 5.4808 5.7017 5.7017 5.7017 5.7017 6.5383 6.5383 6.5383 6.5383 7.7223 7.7223 7.7224 7.7224 8.1209 8.1209 8.1209 8.1209 10.6931 10.6931 10.6934 10.6934 11.2147 11.2147 11.2150 11.2150 12.2459 12.2459 12.2461 12.2461 k = 0.2286 0.5000-0.0000 ( 2276 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2450 -29.2450 -29.2446 -29.2446 -28.4575 -28.4575 -28.4571 -28.4571 -28.3459 -28.3459 -28.3456 -28.3456 -8.5166 -8.5166 -8.5166 -8.5166 -7.5475 -7.5475 -7.5475 -7.5475 3.7183 3.7183 3.7183 3.7183 5.4751 5.4751 5.4751 5.4751 5.7220 5.7220 5.7220 5.7220 6.5907 6.5907 6.5908 6.5908 7.7388 7.7388 7.7388 7.7388 8.0855 8.0855 8.0855 8.0855 10.6677 10.6677 10.6679 10.6679 11.1915 11.1915 11.1918 11.1918 12.2607 12.2607 12.2610 12.2610 k = 0.2429 0.5000-0.0000 ( 2276 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2451 -29.2451 -29.2447 -29.2447 -28.4578 -28.4578 -28.4575 -28.4575 -28.3455 -28.3455 -28.3452 -28.3452 -8.5157 -8.5157 -8.5156 -8.5156 -7.5481 -7.5481 -7.5480 -7.5480 3.6920 3.6920 3.6921 3.6921 5.4694 5.4694 5.4695 5.4695 5.7445 5.7445 5.7445 5.7445 6.6411 6.6411 6.6411 6.6411 7.7555 7.7555 7.7555 7.7555 8.0507 8.0507 8.0507 8.0507 10.6411 10.6411 10.6414 10.6414 11.1680 11.1680 11.1683 11.1683 12.2754 12.2754 12.2757 12.2757 k = 0.2571 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2452 -29.2452 -29.2448 -29.2448 -28.4582 -28.4582 -28.4578 -28.4578 -28.3451 -28.3451 -28.3448 -28.3448 -8.5147 -8.5147 -8.5147 -8.5147 -7.5486 -7.5486 -7.5486 -7.5486 3.6663 3.6663 3.6663 3.6663 5.4638 5.4638 5.4639 5.4639 5.7693 5.7693 5.7693 5.7693 6.6888 6.6888 6.6888 6.6888 7.7724 7.7724 7.7724 7.7724 8.0170 8.0170 8.0170 8.0170 10.6136 10.6136 10.6138 10.6138 11.1444 11.1444 11.1447 11.1447 12.2899 12.2899 12.2902 12.2902 k = 0.2714 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2452 -29.2452 -29.2448 -29.2448 -28.4585 -28.4585 -28.4581 -28.4581 -28.3447 -28.3447 -28.3444 -28.3444 -8.5137 -8.5137 -8.5137 -8.5137 -7.5492 -7.5492 -7.5492 -7.5492 3.6412 3.6412 3.6412 3.6412 5.4583 5.4583 5.4584 5.4584 5.7960 5.7960 5.7960 5.7960 6.7331 6.7331 6.7331 6.7331 7.7892 7.7892 7.7892 7.7892 7.9851 7.9851 7.9851 7.9851 10.5853 10.5853 10.5856 10.5856 11.1208 11.1208 11.1211 11.1211 12.3040 12.3040 12.3043 12.3043 k = 0.2857 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2453 -29.2453 -29.2449 -29.2449 -28.4588 -28.4588 -28.4585 -28.4585 -28.3443 -28.3443 -28.3440 -28.3440 -8.5127 -8.5127 -8.5127 -8.5127 -7.5497 -7.5497 -7.5497 -7.5497 3.6169 3.6169 3.6169 3.6169 5.4529 5.4529 5.4530 5.4530 5.8245 5.8245 5.8245 5.8245 6.7732 6.7732 6.7732 6.7732 7.8057 7.8057 7.8058 7.8058 7.9558 7.9558 7.9558 7.9558 10.5565 10.5565 10.5567 10.5567 11.0976 11.0976 11.0979 11.0979 12.3177 12.3177 12.3179 12.3179 k = 0.3000 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2454 -29.2454 -29.2450 -29.2450 -28.4592 -28.4592 -28.4588 -28.4588 -28.3440 -28.3440 -28.3436 -28.3436 -8.5118 -8.5118 -8.5118 -8.5118 -7.5503 -7.5503 -7.5503 -7.5503 3.5936 3.5936 3.5936 3.5936 5.4476 5.4476 5.4477 5.4477 5.8546 5.8546 5.8546 5.8546 6.8084 6.8084 6.8084 6.8084 7.8219 7.8219 7.8219 7.8219 7.9298 7.9298 7.9298 7.9298 10.5272 10.5272 10.5275 10.5275 11.0748 11.0748 11.0751 11.0751 12.3308 12.3308 12.3311 12.3311 k = 0.3143 0.5000-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2454 -29.2454 -29.2450 -29.2450 -28.4595 -28.4595 -28.4591 -28.4591 -28.3436 -28.3436 -28.3433 -28.3433 -8.5108 -8.5108 -8.5108 -8.5108 -7.5508 -7.5508 -7.5508 -7.5508 3.5714 3.5714 3.5714 3.5714 5.4426 5.4426 5.4427 5.4427 5.8861 5.8861 5.8861 5.8861 6.8378 6.8378 6.8379 6.8379 7.8371 7.8371 7.8371 7.8371 7.9081 7.9081 7.9081 7.9081 10.4979 10.4979 10.4981 10.4981 11.0526 11.0526 11.0529 11.0529 12.3433 12.3433 12.3436 12.3436 k = 0.3286 0.5000-0.0000 ( 2260 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2455 -29.2455 -29.2451 -29.2451 -28.4598 -28.4598 -28.4594 -28.4594 -28.3432 -28.3432 -28.3429 -28.3429 -8.5099 -8.5099 -8.5099 -8.5099 -7.5513 -7.5513 -7.5513 -7.5513 3.5503 3.5503 3.5504 3.5504 5.4378 5.4378 5.4378 5.4378 5.9188 5.9188 5.9189 5.9189 6.8610 6.8610 6.8611 6.8611 7.8503 7.8503 7.8503 7.8503 7.8923 7.8923 7.8924 7.8924 10.4686 10.4686 10.4689 10.4689 11.0312 11.0312 11.0315 11.0315 12.3551 12.3551 12.3554 12.3554 k = 0.3429 0.5000-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2456 -29.2456 -29.2452 -29.2452 -28.4601 -28.4601 -28.4597 -28.4597 -28.3429 -28.3429 -28.3426 -28.3426 -8.5091 -8.5091 -8.5091 -8.5091 -7.5518 -7.5518 -7.5518 -7.5518 3.5306 3.5306 3.5307 3.5307 5.4332 5.4332 5.4333 5.4333 5.9525 5.9525 5.9525 5.9525 6.8774 6.8774 6.8775 6.8775 7.8578 7.8578 7.8578 7.8578 7.8864 7.8864 7.8864 7.8864 10.4399 10.4399 10.4401 10.4401 11.0108 11.0108 11.0110 11.0110 12.3662 12.3662 12.3664 12.3664 k = 0.3571 0.5000-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2456 -29.2456 -29.2452 -29.2452 -28.4603 -28.4603 -28.4600 -28.4600 -28.3426 -28.3426 -28.3423 -28.3423 -8.5083 -8.5083 -8.5083 -8.5083 -7.5522 -7.5522 -7.5522 -7.5522 3.5124 3.5124 3.5124 3.5124 5.4289 5.4289 5.4290 5.4290 5.9867 5.9867 5.9867 5.9867 6.8869 6.8869 6.8869 6.8869 7.8572 7.8572 7.8572 7.8572 7.8926 7.8926 7.8926 7.8926 10.4118 10.4118 10.4121 10.4121 10.9915 10.9915 10.9918 10.9918 12.3764 12.3764 12.3766 12.3766 k = 0.3714 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2457 -29.2457 -29.2453 -29.2453 -28.4606 -28.4606 -28.4602 -28.4602 -28.3423 -28.3423 -28.3420 -28.3420 -8.5075 -8.5075 -8.5075 -8.5075 -7.5527 -7.5527 -7.5527 -7.5527 3.4956 3.4956 3.4956 3.4956 5.4250 5.4250 5.4250 5.4250 6.0213 6.0213 6.0213 6.0213 6.8897 6.8897 6.8897 6.8897 7.8556 7.8556 7.8556 7.8556 7.9036 7.9036 7.9036 7.9036 10.3849 10.3849 10.3851 10.3851 10.9734 10.9734 10.9737 10.9737 12.3857 12.3857 12.3860 12.3860 k = 0.3857 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2457 -29.2457 -29.2453 -29.2453 -28.4608 -28.4608 -28.4605 -28.4605 -28.3421 -28.3421 -28.3417 -28.3417 -8.5069 -8.5069 -8.5069 -8.5069 -7.5531 -7.5531 -7.5530 -7.5530 3.4804 3.4804 3.4804 3.4804 5.4214 5.4214 5.4214 5.4214 6.0556 6.0556 6.0557 6.0557 6.8863 6.8863 6.8864 6.8864 7.8566 7.8566 7.8566 7.8566 7.9151 7.9151 7.9151 7.9151 10.3595 10.3595 10.3597 10.3597 10.9569 10.9569 10.9572 10.9572 12.3942 12.3942 12.3944 12.3944 k = 0.4000 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2458 -29.2458 -29.2454 -29.2454 -28.4610 -28.4610 -28.4607 -28.4607 -28.3418 -28.3418 -28.3415 -28.3415 -8.5062 -8.5062 -8.5062 -8.5062 -7.5534 -7.5534 -7.5534 -7.5534 3.4668 3.4668 3.4668 3.4668 5.4181 5.4181 5.4182 5.4182 6.0894 6.0894 6.0894 6.0894 6.8779 6.8779 6.8779 6.8779 7.8603 7.8603 7.8603 7.8603 7.9260 7.9260 7.9260 7.9260 10.3358 10.3358 10.3360 10.3360 10.9419 10.9419 10.9422 10.9422 12.4017 12.4017 12.4019 12.4019 k = 0.4143 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2458 -29.2458 -29.2454 -29.2454 -28.4612 -28.4612 -28.4608 -28.4608 -28.3416 -28.3416 -28.3413 -28.3413 -8.5057 -8.5057 -8.5057 -8.5057 -7.5537 -7.5537 -7.5537 -7.5537 3.4549 3.4549 3.4550 3.4550 5.4153 5.4153 5.4154 5.4154 6.1219 6.1219 6.1219 6.1219 6.8655 6.8655 6.8655 6.8655 7.8660 7.8660 7.8660 7.8660 7.9359 7.9359 7.9359 7.9359 10.3144 10.3144 10.3146 10.3146 10.9287 10.9287 10.9290 10.9290 12.4082 12.4082 12.4085 12.4085 k = 0.4286 0.5000-0.0000 ( 2266 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2458 -29.2458 -29.2455 -29.2455 -28.4613 -28.4613 -28.4610 -28.4610 -28.3414 -28.3414 -28.3411 -28.3411 -8.5052 -8.5052 -8.5052 -8.5052 -7.5540 -7.5540 -7.5540 -7.5540 3.4448 3.4448 3.4448 3.4448 5.4128 5.4128 5.4129 5.4129 6.1523 6.1523 6.1523 6.1523 6.8507 6.8507 6.8507 6.8507 7.8729 7.8729 7.8729 7.8729 7.9446 7.9446 7.9446 7.9446 10.2955 10.2955 10.2957 10.2957 10.9172 10.9172 10.9175 10.9175 12.4138 12.4138 12.4141 12.4141 k = 0.4429 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4615 -28.4615 -28.4611 -28.4611 -28.3413 -28.3413 -28.3410 -28.3410 -8.5048 -8.5048 -8.5048 -8.5048 -7.5542 -7.5542 -7.5542 -7.5542 3.4365 3.4365 3.4365 3.4365 5.4108 5.4108 5.4109 5.4109 6.1796 6.1796 6.1796 6.1796 6.8350 6.8350 6.8351 6.8351 7.8800 7.8800 7.8800 7.8800 7.9520 7.9520 7.9520 7.9520 10.2795 10.2795 10.2797 10.2797 10.9078 10.9078 10.9080 10.9080 12.4184 12.4184 12.4187 12.4187 k = 0.4571 0.5000-0.0000 ( 2268 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4616 -28.4616 -28.4612 -28.4612 -28.3412 -28.3412 -28.3408 -28.3408 -8.5045 -8.5045 -8.5045 -8.5045 -7.5544 -7.5544 -7.5544 -7.5544 3.4300 3.4300 3.4300 3.4300 5.4092 5.4092 5.4093 5.4093 6.2029 6.2029 6.2029 6.2029 6.8203 6.8203 6.8204 6.8204 7.8864 7.8864 7.8864 7.8864 7.9578 7.9578 7.9578 7.9578 10.2667 10.2667 10.2669 10.2669 10.9003 10.9003 10.9006 10.9006 12.4220 12.4220 12.4222 12.4222 k = 0.4714 0.5000-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4616 -28.4616 -28.4613 -28.4613 -28.3411 -28.3411 -28.3408 -28.3408 -8.5043 -8.5043 -8.5043 -8.5043 -7.5545 -7.5545 -7.5545 -7.5545 3.4253 3.4253 3.4253 3.4253 5.4081 5.4081 5.4082 5.4082 6.2208 6.2208 6.2208 6.2208 6.8082 6.8082 6.8082 6.8082 7.8914 7.8914 7.8915 7.8915 7.9621 7.9621 7.9621 7.9621 10.2574 10.2574 10.2576 10.2576 10.8949 10.8949 10.8952 10.8952 12.4245 12.4245 12.4248 12.4248 k = 0.4857 0.5000-0.0000 ( 2260 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4617 -28.4617 -28.4613 -28.4613 -28.3410 -28.3410 -28.3407 -28.3407 -8.5042 -8.5042 -8.5042 -8.5042 -7.5546 -7.5546 -7.5546 -7.5546 3.4225 3.4225 3.4225 3.4225 5.4074 5.4074 5.4075 5.4075 6.2321 6.2321 6.2321 6.2321 6.8002 6.8002 6.8002 6.8002 7.8947 7.8947 7.8947 7.8947 7.9647 7.9647 7.9647 7.9647 10.2517 10.2517 10.2519 10.2519 10.8916 10.8916 10.8919 10.8919 12.4261 12.4261 12.4263 12.4263 k = 0.5000 0.5000-0.0000 ( 2252 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4617 -28.4617 -28.4613 -28.4613 -28.3410 -28.3410 -28.3407 -28.3407 -8.5041 -8.5041 -8.5041 -8.5041 -7.5546 -7.5546 -7.5546 -7.5546 3.4215 3.4215 3.4216 3.4216 5.4072 5.4072 5.4073 5.4073 6.2360 6.2360 6.2360 6.2360 6.7974 6.7974 6.7974 6.7974 7.8958 7.8958 7.8958 7.8958 7.9656 7.9656 7.9656 7.9656 10.2498 10.2498 10.2500 10.2500 10.8906 10.8906 10.8909 10.8909 12.4266 12.4266 12.4268 12.4268 k = 0.5000 0.5000-0.0000 ( 2252 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4617 -28.4617 -28.4613 -28.4613 -28.3410 -28.3410 -28.3407 -28.3407 -8.5041 -8.5041 -8.5041 -8.5041 -7.5546 -7.5546 -7.5546 -7.5546 3.4215 3.4215 3.4216 3.4216 5.4072 5.4072 5.4073 5.4073 6.2360 6.2360 6.2360 6.2360 6.7974 6.7974 6.7974 6.7974 7.8958 7.8958 7.8958 7.8958 7.9656 7.9656 7.9656 7.9656 10.2498 10.2498 10.2500 10.2500 10.8906 10.8906 10.8909 10.8909 12.4266 12.4266 12.4268 12.4268 k = 0.4898 0.4898-0.0000 ( 2256 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4617 -28.4617 -28.4613 -28.4613 -28.3410 -28.3410 -28.3407 -28.3407 -8.5050 -8.5050 -8.5034 -8.5034 -7.5547 -7.5547 -7.5544 -7.5544 3.4215 3.4215 3.4235 3.4235 5.4073 5.4073 5.4077 5.4077 6.2280 6.2280 6.2360 6.2360 6.7962 6.7962 6.8043 6.8043 7.8910 7.8910 7.8983 7.8983 7.9635 7.9635 7.9659 7.9659 10.2499 10.2499 10.2538 10.2538 10.8908 10.8908 10.8928 10.8928 12.4253 12.4253 12.4270 12.4270 k = 0.4796 0.4796-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4616 -28.4616 -28.4613 -28.4613 -28.3411 -28.3411 -28.3408 -28.3408 -8.5076 -8.5076 -8.5011 -8.5011 -7.5550 -7.5550 -7.5540 -7.5540 3.4215 3.4215 3.4293 3.4293 5.4075 5.4075 5.4089 5.4089 6.2052 6.2052 6.2362 6.2362 6.7924 6.7924 6.8241 6.8241 7.8766 7.8766 7.9057 7.9057 7.9575 7.9575 7.9669 7.9669 10.2502 10.2502 10.2651 10.2651 10.8908 10.8908 10.8995 10.8995 12.4213 12.4213 12.4280 12.4280 k = 0.4694 0.4694-0.0000 ( 2262 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2460 -29.2460 -29.2454 -29.2454 -28.4615 -28.4615 -28.4613 -28.4613 -28.3413 -28.3413 -28.3408 -28.3408 -8.5118 -8.5118 -8.4972 -8.4972 -7.5554 -7.5554 -7.5533 -7.5533 3.4214 3.4214 3.4389 3.4389 5.4078 5.4078 5.4109 5.4109 6.1703 6.1703 6.2364 6.2364 6.7863 6.7863 6.8541 6.8541 7.8529 7.8529 7.9170 7.9170 7.9483 7.9483 7.9691 7.9691 10.2506 10.2506 10.2832 10.2832 10.8907 10.8907 10.9104 10.9104 12.4145 12.4145 12.4296 12.4296 k = 0.4592 0.4592-0.0000 ( 2264 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2462 -29.2462 -29.2452 -29.2452 -28.4614 -28.4614 -28.4612 -28.4612 -28.3416 -28.3416 -28.3407 -28.3407 -8.5178 -8.5178 -8.4919 -8.4919 -7.5560 -7.5560 -7.5524 -7.5524 3.4212 3.4212 3.4523 3.4523 5.4082 5.4082 5.4137 5.4137 6.1263 6.1263 6.2365 6.2365 6.7780 6.7780 6.8914 6.8914 7.8207 7.8207 7.9264 7.9264 7.9408 7.9408 7.9736 7.9736 10.2511 10.2511 10.3077 10.3077 10.8906 10.8906 10.9255 10.9255 12.4050 12.4050 12.4318 12.4318 k = 0.4490 0.4490-0.0000 ( 2266 PWs) bands (ev): -54.9156 -54.9156 -54.9151 -54.9151 -29.2463 -29.2463 -29.2449 -29.2449 -28.4614 -28.4614 -28.4609 -28.4609 -28.3420 -28.3420 -28.3406 -28.3406 -8.5254 -8.5254 -8.4851 -8.4851 -7.5567 -7.5567 -7.5511 -7.5511 3.4210 3.4210 3.4693 3.4693 5.4087 5.4087 5.4172 5.4172 6.0756 6.0756 6.2362 6.2362 6.7678 6.7678 6.9335 6.9335 7.7811 7.7811 7.9153 7.9153 7.9504 7.9504 7.9833 7.9833 10.2518 10.2518 10.3374 10.3374 10.8904 10.8904 10.9444 10.9444 12.3929 12.3929 12.4347 12.4347 k = 0.4388 0.4388-0.0000 ( 2266 PWs) bands (ev): -54.9156 -54.9156 -54.9151 -54.9151 -29.2466 -29.2466 -29.2446 -29.2446 -28.4614 -28.4614 -28.4606 -28.4606 -28.3425 -28.3425 -28.3404 -28.3404 -8.5346 -8.5346 -8.4768 -8.4768 -7.5576 -7.5576 -7.5496 -7.5496 3.4208 3.4208 3.4898 3.4898 5.4094 5.4094 5.4214 5.4214 6.0201 6.0201 6.2351 6.2351 6.7559 6.7559 6.9788 6.9788 7.7355 7.7355 7.8968 7.8968 7.9598 7.9598 8.0027 8.0027 10.2527 10.2527 10.3715 10.3715 10.8902 10.8902 10.9668 10.9668 12.3782 12.3782 12.4383 12.4383 k = 0.4286 0.4286-0.0000 ( 2264 PWs) bands (ev): -54.9157 -54.9157 -54.9151 -54.9151 -29.2469 -29.2469 -29.2442 -29.2442 -28.4614 -28.4614 -28.4603 -28.4603 -28.3431 -28.3431 -28.3402 -28.3402 -8.5453 -8.5453 -8.4671 -8.4671 -7.5587 -7.5587 -7.5479 -7.5479 3.4204 3.4204 3.5137 3.5137 5.4101 5.4101 5.4263 5.4263 5.9613 5.9613 6.2330 6.2330 6.7425 6.7425 7.0260 7.0260 7.6855 7.6855 7.8752 7.8752 7.9657 7.9657 8.0302 8.0302 10.2537 10.2537 10.4088 10.4088 10.8900 10.8900 10.9923 10.9923 12.3609 12.3609 12.4426 12.4426 k = 0.4184 0.4184-0.0000 ( 2266 PWs) bands (ev): -54.9157 -54.9157 -54.9150 -54.9150 -29.2472 -29.2472 -29.2438 -29.2438 -28.4614 -28.4614 -28.4599 -28.4599 -28.3437 -28.3437 -28.3400 -28.3400 -8.5576 -8.5576 -8.4560 -8.4560 -7.5598 -7.5598 -7.5459 -7.5459 3.4201 3.4201 3.5409 3.5409 5.4110 5.4110 5.4318 5.4318 5.8999 5.8999 6.2293 6.2293 6.7280 6.7280 7.0743 7.0743 7.6329 7.6329 7.8513 7.8513 7.9703 7.9703 8.0630 8.0630 10.2548 10.2548 10.4485 10.4485 10.8897 10.8897 11.0204 11.0204 12.3411 12.3411 12.4476 12.4476 k = 0.4082 0.4082-0.0000 ( 2268 PWs) bands (ev): -54.9158 -54.9158 -54.9150 -54.9150 -29.2476 -29.2476 -29.2433 -29.2433 -28.4614 -28.4614 -28.4594 -28.4594 -28.3445 -28.3445 -28.3398 -28.3398 -8.5713 -8.5713 -8.4435 -8.4435 -7.5610 -7.5610 -7.5436 -7.5436 3.4196 3.4196 3.5710 3.5710 5.4120 5.4120 5.4378 5.4378 5.8369 5.8369 6.2235 6.2235 6.7126 6.7126 7.1233 7.1233 7.5793 7.5793 7.8253 7.8253 7.9748 7.9748 8.0994 8.0994 10.2560 10.2560 10.4894 10.4894 10.8894 10.8894 11.0508 11.0508 12.3190 12.3190 12.4533 12.4533 k = 0.3980 0.3980-0.0000 ( 2264 PWs) bands (ev): -54.9158 -54.9158 -54.9149 -54.9149 -29.2481 -29.2481 -29.2428 -29.2428 -28.4615 -28.4615 -28.4589 -28.4589 -28.3453 -28.3453 -28.3395 -28.3395 -8.5864 -8.5864 -8.4297 -8.4297 -7.5623 -7.5623 -7.5411 -7.5411 3.4191 3.4191 3.6038 3.6038 5.4131 5.4131 5.4443 5.4443 5.7726 5.7726 6.2148 6.2148 6.6965 6.6965 7.1725 7.1725 7.5265 7.5265 7.7977 7.7977 7.9794 7.9794 8.1386 8.1386 10.2574 10.2574 10.5309 10.5309 10.8891 10.8891 11.0829 11.0829 12.2945 12.2945 12.4598 12.4598 k = 0.3878 0.3878-0.0000 ( 2260 PWs) bands (ev): -54.9159 -54.9159 -54.9148 -54.9148 -29.2485 -29.2485 -29.2422 -29.2422 -28.4615 -28.4615 -28.4585 -28.4585 -28.3461 -28.3461 -28.3392 -28.3392 -8.6027 -8.6027 -8.4147 -8.4147 -7.5637 -7.5637 -7.5384 -7.5384 3.4185 3.4185 3.6391 3.6391 5.4142 5.4142 5.4512 5.4512 5.7075 5.7075 6.2027 6.2027 6.6799 6.6799 7.2219 7.2219 7.4763 7.4763 7.7689 7.7689 7.9844 7.9844 8.1801 8.1801 10.2588 10.2588 10.5721 10.5721 10.8888 10.8888 11.1161 11.1161 12.2677 12.2677 12.4670 12.4670 k = 0.3776 0.3776-0.0000 ( 2262 PWs) bands (ev): -54.9160 -54.9160 -54.9148 -54.9148 -29.2490 -29.2490 -29.2416 -29.2416 -28.4615 -28.4615 -28.4579 -28.4579 -28.3470 -28.3470 -28.3389 -28.3389 -8.6203 -8.6203 -8.3985 -8.3985 -7.5651 -7.5651 -7.5354 -7.5354 3.4178 3.4178 3.6764 3.6764 5.4155 5.4155 5.4583 5.4583 5.6420 5.6420 6.1865 6.1865 6.6629 6.6629 7.2711 7.2711 7.4302 7.4302 7.7391 7.7391 7.9899 7.9899 8.2233 8.2233 10.2604 10.2604 10.6124 10.6124 10.8885 10.8885 11.1500 11.1500 12.2388 12.2388 12.4751 12.4751 k = 0.3673 0.3673-0.0000 ( 2266 PWs) bands (ev): -54.9161 -54.9161 -54.9147 -54.9147 -29.2496 -29.2496 -29.2409 -29.2409 -28.4615 -28.4615 -28.4574 -28.4574 -28.3480 -28.3480 -28.3385 -28.3385 -8.6390 -8.6390 -8.3812 -8.3812 -7.5665 -7.5665 -7.5323 -7.5323 3.4169 3.4169 3.7155 3.7155 5.4168 5.4168 5.4657 5.4657 5.5762 5.5762 6.1657 6.1657 6.6459 6.6459 7.3201 7.3201 7.3898 7.3898 7.7087 7.7087 7.9959 7.9959 8.2678 8.2678 10.2620 10.2620 10.6514 10.6514 10.8881 10.8881 11.1841 11.1841 12.2078 12.2078 12.4839 12.4839 k = 0.3571 0.3571-0.0000 ( 2266 PWs) bands (ev): -54.9162 -54.9162 -54.9146 -54.9146 -29.2502 -29.2502 -29.2402 -29.2402 -28.4615 -28.4615 -28.4569 -28.4569 -28.3490 -28.3490 -28.3381 -28.3381 -8.6588 -8.6588 -8.3628 -8.3628 -7.5678 -7.5678 -7.5289 -7.5289 3.4160 3.4160 3.7558 3.7558 5.4182 5.4182 5.4732 5.4732 5.5104 5.5104 6.1400 6.1400 6.6287 6.6287 7.3540 7.3540 7.3711 7.3711 7.6780 7.6780 8.0025 8.0025 8.3132 8.3132 10.2638 10.2638 10.6885 10.6885 10.8877 10.8877 11.2178 11.2178 12.1748 12.1748 12.4936 12.4936 k = 0.3469 0.3469-0.0000 ( 2270 PWs) bands (ev): -54.9163 -54.9163 -54.9145 -54.9145 -29.2508 -29.2508 -29.2394 -29.2394 -28.4616 -28.4616 -28.4563 -28.4563 -28.3500 -28.3500 -28.3376 -28.3376 -8.6795 -8.6795 -8.3435 -8.3435 -7.5691 -7.5691 -7.5254 -7.5254 3.4149 3.4149 3.7969 3.7969 5.4194 5.4194 5.4452 5.4452 5.4807 5.4807 6.1094 6.1094 6.6117 6.6117 7.3293 7.3293 7.4186 7.4186 7.6474 7.6474 8.0098 8.0098 8.3593 8.3593 10.2655 10.2655 10.7233 10.7233 10.8874 10.8874 11.2505 11.2505 12.1400 12.1400 12.5041 12.5041 k = 0.3367 0.3367-0.0000 ( 2268 PWs) bands (ev): -54.9164 -54.9164 -54.9144 -54.9144 -29.2514 -29.2514 -29.2387 -29.2387 -28.4616 -28.4616 -28.4558 -28.4558 -28.3510 -28.3510 -28.3372 -28.3372 -8.7010 -8.7010 -8.3233 -8.3233 -7.5703 -7.5703 -7.5217 -7.5217 3.4136 3.4136 3.8382 3.8382 5.3794 5.3794 5.4217 5.4217 5.4882 5.4882 6.0743 6.0743 6.5948 6.5948 7.3115 7.3115 7.4671 7.4671 7.6170 7.6170 8.0178 8.0178 8.4056 8.4056 10.2674 10.2674 10.7556 10.7556 10.8870 10.8870 11.2818 11.2818 12.1035 12.1035 12.5155 12.5155 k = 0.3265 0.3265-0.0000 ( 2272 PWs) bands (ev): -54.9165 -54.9165 -54.9143 -54.9143 -29.2521 -29.2521 -29.2379 -29.2379 -28.4616 -28.4616 -28.4553 -28.4553 -28.3520 -28.3520 -28.3367 -28.3367 -8.7233 -8.7233 -8.3024 -8.3024 -7.5714 -7.5714 -7.5178 -7.5178 3.4121 3.4121 3.8790 3.8790 5.3149 5.3149 5.4232 5.4232 5.4954 5.4954 6.0356 6.0356 6.5782 6.5782 7.3020 7.3020 7.5154 7.5154 7.5873 7.5873 8.0265 8.0265 8.4520 8.4520 10.2692 10.2692 10.7851 10.7851 10.8867 10.8867 11.3111 11.3111 12.0654 12.0654 12.5277 12.5277 k = 0.3163 0.3163-0.0000 ( 2270 PWs) bands (ev): -54.9166 -54.9166 -54.9141 -54.9141 -29.2528 -29.2528 -29.2370 -29.2370 -28.4617 -28.4617 -28.4548 -28.4548 -28.3531 -28.3531 -28.3361 -28.3361 -8.7463 -8.7463 -8.2807 -8.2807 -7.5723 -7.5723 -7.5138 -7.5138 3.4104 3.4104 3.9186 3.9186 5.2510 5.2510 5.4248 5.4248 5.5023 5.5023 5.9943 5.9943 6.5619 6.5619 7.3005 7.3005 7.5570 7.5570 7.5651 7.5651 8.0360 8.0360 8.4981 8.4981 10.2711 10.2711 10.8115 10.8115 10.8865 10.8865 11.3381 11.3381 12.0258 12.0258 12.5408 12.5408 k = 0.3061 0.3061-0.0000 ( 2270 PWs) bands (ev): -54.9168 -54.9168 -54.9140 -54.9140 -29.2535 -29.2535 -29.2362 -29.2362 -28.4617 -28.4617 -28.4544 -28.4544 -28.3541 -28.3541 -28.3355 -28.3355 -8.7697 -8.7697 -8.2586 -8.2586 -7.5730 -7.5730 -7.5097 -7.5097 3.4085 3.4085 3.9563 3.9563 5.1880 5.1880 5.4266 5.4266 5.5088 5.5088 5.9519 5.9519 6.5460 6.5460 7.3067 7.3067 7.5301 7.5301 7.6120 7.6120 8.0463 8.0463 8.5437 8.5437 10.2730 10.2730 10.8346 10.8346 10.8866 10.8866 11.3621 11.3621 11.9848 11.9848 12.5547 12.5547 k = 0.2959 0.2959-0.0000 ( 2266 PWs) bands (ev): -54.9169 -54.9169 -54.9139 -54.9139 -29.2542 -29.2542 -29.2353 -29.2353 -28.4618 -28.4618 -28.4540 -28.4540 -28.3551 -28.3551 -28.3349 -28.3349 -8.7936 -8.7936 -8.2360 -8.2360 -7.5733 -7.5733 -7.5055 -7.5055 3.4062 3.4062 3.9910 3.9910 5.1259 5.1259 5.4284 5.4284 5.5148 5.5148 5.9099 5.9099 6.5304 6.5304 7.3200 7.3200 7.5034 7.5034 7.6600 7.6600 8.0575 8.0575 8.5885 8.5885 10.2750 10.2750 10.8538 10.8538 10.8873 10.8873 11.3829 11.3829 11.9426 11.9426 12.5695 12.5695 k = 0.2857 0.2857-0.0000 ( 2270 PWs) bands (ev): -54.9170 -54.9170 -54.9138 -54.9138 -29.2550 -29.2550 -29.2344 -29.2344 -28.4618 -28.4618 -28.4536 -28.4536 -28.3561 -28.3561 -28.3343 -28.3343 -8.8179 -8.8179 -8.2131 -8.2131 -7.5734 -7.5734 -7.5012 -7.5012 3.4037 3.4037 4.0219 4.0219 5.0649 5.0649 5.4302 5.4302 5.5203 5.5203 5.8701 5.8701 6.5153 6.5153 7.3397 7.3397 7.4781 7.4781 7.7077 7.7077 8.0697 8.0697 8.6325 8.6325 10.2769 10.2769 10.8680 10.8680 10.8897 10.8897 11.4001 11.4001 11.8994 11.8994 12.5851 12.5851 k = 0.2755 0.2755-0.0000 ( 2274 PWs) bands (ev): -54.9172 -54.9172 -54.9136 -54.9136 -29.2558 -29.2558 -29.2335 -29.2335 -28.4619 -28.4619 -28.4533 -28.4533 -28.3571 -28.3571 -28.3336 -28.3336 -8.8423 -8.8423 -8.1900 -8.1900 -7.5731 -7.5731 -7.4968 -7.4968 3.4007 3.4007 4.0481 4.0481 5.0051 5.0051 5.4320 5.4320 5.5250 5.5250 5.8341 5.8341 6.5007 6.5007 7.3652 7.3652 7.4542 7.4542 7.7554 7.7554 8.0828 8.0828 8.6754 8.6754 10.2787 10.2787 10.8754 10.8754 10.8955 10.8955 11.4133 11.4133 11.8552 11.8552 12.6015 12.6015 k = 0.2653 0.2653-0.0000 ( 2274 PWs) bands (ev): -54.9173 -54.9173 -54.9135 -54.9135 -29.2565 -29.2565 -29.2326 -29.2326 -28.4619 -28.4619 -28.4530 -28.4530 -28.3580 -28.3580 -28.3329 -28.3329 -8.8669 -8.8669 -8.1669 -8.1669 -7.5724 -7.5724 -7.4923 -7.4923 3.3973 3.3973 4.0687 4.0687 4.9466 4.9466 5.4339 5.4339 5.5290 5.5290 5.8033 5.8033 6.4866 6.4866 7.3957 7.3957 7.4323 7.4323 7.8028 7.8028 8.0969 8.0969 8.7171 8.7171 10.2806 10.2806 10.8778 10.8778 10.9029 10.9029 11.4223 11.4223 11.8102 11.8102 12.6187 12.6187 k = 0.2551 0.2551-0.0000 ( 2276 PWs) bands (ev): -54.9174 -54.9174 -54.9134 -54.9134 -29.2573 -29.2573 -29.2317 -29.2317 -28.4620 -28.4620 -28.4528 -28.4528 -28.3589 -28.3589 -28.3322 -28.3322 -8.8915 -8.8915 -8.1439 -8.1439 -7.5712 -7.5712 -7.4878 -7.4878 3.3934 3.3934 4.0829 4.0829 4.8895 4.8895 5.4358 5.4358 5.5321 5.5321 5.7790 5.7790 6.4730 6.4730 7.4101 7.4101 7.4329 7.4329 7.8501 7.8501 8.1121 8.1121 8.7574 8.7574 10.2824 10.2824 10.8783 10.8783 10.9086 10.9086 11.4270 11.4270 11.7645 11.7645 12.6365 12.6365 k = 0.2449 0.2449-0.0000 ( 2276 PWs) bands (ev): -54.9176 -54.9176 -54.9132 -54.9132 -29.2581 -29.2581 -29.2308 -29.2308 -28.4620 -28.4620 -28.4527 -28.4527 -28.3597 -28.3597 -28.3314 -28.3314 -8.9160 -8.9160 -8.1213 -8.1213 -7.5694 -7.5694 -7.4833 -7.4833 3.3889 3.3889 4.0902 4.0902 4.8339 4.8339 5.4377 5.4377 5.5345 5.5345 5.7623 5.7623 6.4599 6.4599 7.3919 7.3919 7.4720 7.4720 7.8972 7.8972 8.1284 8.1284 8.7962 8.7962 10.2842 10.2842 10.8781 10.8781 10.9115 10.9115 11.4272 11.4272 11.7184 11.7184 12.6550 12.6550 k = 0.2347 0.2347-0.0000 ( 2276 PWs) bands (ev): -54.9177 -54.9177 -54.9131 -54.9131 -29.2589 -29.2589 -29.2299 -29.2299 -28.4621 -28.4621 -28.4526 -28.4526 -28.3605 -28.3605 -28.3306 -28.3306 -8.9403 -8.9403 -8.0990 -8.0990 -7.5670 -7.5670 -7.4788 -7.4788 3.3838 3.3838 4.0904 4.0904 4.7799 4.7799 5.4396 5.4396 5.5360 5.5360 5.7536 5.7536 6.4473 6.4473 7.3748 7.3748 7.5157 7.5157 7.9439 7.9439 8.1458 8.1458 8.8333 8.8333 10.2859 10.2859 10.8776 10.8776 10.9113 10.9113 11.4230 11.4230 11.6719 11.6719 12.6741 12.6741 k = 0.2245 0.2245-0.0000 ( 2275 PWs) bands (ev): -54.9178 -54.9178 -54.9130 -54.9130 -29.2597 -29.2597 -29.2290 -29.2290 -28.4622 -28.4622 -28.4526 -28.4526 -28.3612 -28.3612 -28.3298 -28.3298 -8.9644 -8.9644 -8.0774 -8.0774 -7.5639 -7.5639 -7.4742 -7.4742 3.3779 3.3779 4.0837 4.0837 4.7275 4.7275 5.4415 5.4415 5.5366 5.5366 5.7532 5.7532 6.4353 6.4353 7.3594 7.3594 7.5630 7.5630 7.9904 7.9904 8.1643 8.1643 8.8687 8.8687 10.2876 10.2876 10.8766 10.8766 10.9079 10.9079 11.4143 11.4143 11.6253 11.6253 12.6937 12.6937 k = 0.2143 0.2143-0.0000 ( 2275 PWs) bands (ev): -54.9180 -54.9180 -54.9128 -54.9128 -29.2605 -29.2605 -29.2281 -29.2281 -28.4623 -28.4623 -28.4526 -28.4526 -28.3619 -28.3619 -28.3290 -28.3290 -8.9880 -8.9880 -8.0565 -8.0565 -7.5601 -7.5601 -7.4698 -7.4698 3.3712 3.3712 4.0705 4.0705 4.6769 4.6769 5.4433 5.4433 5.5363 5.5363 5.7608 5.7608 6.4239 6.4239 7.3456 7.3456 7.6135 7.6135 8.0366 8.0366 8.1839 8.1839 8.9023 8.9023 10.2891 10.2891 10.8750 10.8750 10.9016 10.9016 11.4014 11.4014 11.5787 11.5787 12.7137 12.7137 k = 0.2041 0.2041-0.0000 ( 2271 PWs) bands (ev): -54.9181 -54.9181 -54.9127 -54.9127 -29.2613 -29.2613 -29.2273 -29.2273 -28.4624 -28.4624 -28.4527 -28.4527 -28.3625 -28.3625 -28.3281 -28.3281 -9.0112 -9.0112 -8.0366 -8.0366 -7.5555 -7.5555 -7.4653 -7.4653 3.3634 3.3634 4.0518 4.0518 4.6281 4.6281 5.4452 5.4452 5.5352 5.5352 5.7758 5.7758 6.4130 6.4130 7.3335 7.3335 7.6670 7.6670 8.0823 8.0823 8.2047 8.2047 8.9341 8.9341 10.2907 10.2907 10.8717 10.8717 10.8935 10.8935 11.3844 11.3844 11.5323 11.5323 12.7341 12.7341 k = 0.1939 0.1939-0.0000 ( 2269 PWs) bands (ev): -54.9182 -54.9182 -54.9126 -54.9126 -29.2620 -29.2620 -29.2264 -29.2264 -28.4625 -28.4625 -28.4528 -28.4528 -28.3631 -28.3631 -28.3273 -28.3273 -9.0339 -9.0339 -8.0177 -8.0177 -7.5501 -7.5501 -7.4609 -7.4609 3.3547 3.3547 4.0285 4.0285 4.5813 4.5813 5.4470 5.4470 5.5334 5.5334 5.7973 5.7973 6.4027 6.4027 7.3230 7.3230 7.7230 7.7230 8.1274 8.1274 8.2266 8.2266 8.9638 8.9638 10.2921 10.2921 10.8640 10.8640 10.8862 10.8862 11.3636 11.3636 11.4862 11.4862 12.7546 12.7546 k = 0.1837 0.1837-0.0000 ( 2277 PWs) bands (ev): -54.9184 -54.9184 -54.9125 -54.9125 -29.2628 -29.2628 -29.2256 -29.2256 -28.4626 -28.4626 -28.4530 -28.4530 -28.3636 -28.3636 -28.3264 -28.3264 -9.0559 -9.0559 -7.9999 -7.9999 -7.5439 -7.5439 -7.4566 -7.4566 3.3447 3.3447 4.0019 4.0019 4.5364 4.5364 5.4487 5.4487 5.5308 5.5308 5.8242 5.8242 6.3929 6.3929 7.3139 7.3139 7.7815 7.7815 8.1719 8.1719 8.2496 8.2496 8.9916 8.9916 10.2935 10.2935 10.8496 10.8496 10.8822 10.8822 11.3394 11.3394 11.4407 11.4407 12.7752 12.7752 k = 0.1735 0.1735-0.0000 ( 2277 PWs) bands (ev): -54.9185 -54.9185 -54.9123 -54.9123 -29.2635 -29.2635 -29.2248 -29.2248 -28.4627 -28.4627 -28.4532 -28.4532 -28.3640 -28.3640 -28.3256 -28.3256 -9.0772 -9.0772 -7.9834 -7.9834 -7.5370 -7.5370 -7.4524 -7.4524 3.3334 3.3334 3.9731 3.9731 4.4935 4.4935 5.4504 5.4504 5.5276 5.5276 5.8556 5.8556 6.3837 6.3837 7.3061 7.3061 7.8420 7.8420 8.2155 8.2155 8.2738 8.2738 9.0172 9.0172 10.2947 10.2947 10.8298 10.8298 10.8801 10.8801 11.3121 11.3121 11.3959 11.3959 12.7959 12.7959 k = 0.1633 0.1633-0.0000 ( 2281 PWs) bands (ev): -54.9186 -54.9186 -54.9122 -54.9122 -29.2642 -29.2642 -29.2241 -29.2241 -28.4629 -28.4629 -28.4534 -28.4534 -28.3644 -28.3644 -28.3247 -28.3247 -9.0977 -9.0977 -7.9683 -7.9683 -7.5293 -7.5293 -7.4484 -7.4484 3.3208 3.3208 3.9432 3.9432 4.4528 4.4528 5.4521 5.4521 5.5238 5.5238 5.8903 5.8903 6.3750 6.3750 7.2996 7.2996 7.9044 7.9044 8.2577 8.2577 8.2995 8.2995 9.0408 9.0408 10.2959 10.2959 10.8059 10.8059 10.8789 10.8789 11.2822 11.2822 11.3520 11.3520 12.8163 12.8163 k = 0.1531 0.1531-0.0000 ( 2277 PWs) bands (ev): -54.9187 -54.9187 -54.9121 -54.9121 -29.2649 -29.2649 -29.2233 -29.2233 -28.4630 -28.4630 -28.4536 -28.4536 -28.3648 -28.3648 -28.3239 -28.3239 -9.1173 -9.1173 -7.9545 -7.9545 -7.5209 -7.5209 -7.4444 -7.4444 3.3068 3.3068 3.9133 3.9133 4.4142 4.4142 5.4536 5.4536 5.5196 5.5196 5.9273 5.9273 6.3669 6.3669 7.2942 7.2942 7.9682 7.9682 8.2975 8.2975 8.3273 8.3273 9.0623 9.0623 10.2970 10.2970 10.7787 10.7787 10.8780 10.8780 11.2502 11.2502 11.3092 11.3092 12.8365 12.8365 k = 0.1429 0.1429-0.0000 ( 2281 PWs) bands (ev): -54.9188 -54.9188 -54.9120 -54.9120 -29.2656 -29.2656 -29.2226 -29.2226 -28.4632 -28.4632 -28.4539 -28.4539 -28.3651 -28.3651 -28.3230 -28.3230 -9.1360 -9.1360 -7.9420 -7.9420 -7.5120 -7.5120 -7.4405 -7.4405 3.2914 3.2914 3.8842 3.8842 4.3779 4.3779 5.4552 5.4552 5.5150 5.5150 5.9655 5.9655 6.3593 6.3593 7.2898 7.2898 8.0331 8.0331 8.3330 8.3330 8.3590 8.3590 9.0817 9.0817 10.2979 10.2979 10.7484 10.7484 10.8773 10.8773 11.2166 11.2166 11.2677 11.2677 12.8562 12.8562 k = 0.1327 0.1327-0.0000 ( 2277 PWs) bands (ev): -54.9189 -54.9189 -54.9119 -54.9119 -29.2662 -29.2662 -29.2220 -29.2220 -28.4633 -28.4633 -28.4542 -28.4542 -28.3654 -28.3654 -28.3222 -28.3222 -9.1537 -9.1537 -7.9309 -7.9309 -7.5027 -7.5027 -7.4368 -7.4368 3.2749 3.2749 3.8566 3.8566 4.3438 4.3438 5.4566 5.4566 5.5102 5.5102 6.0043 6.0043 6.3522 6.3522 7.2863 7.2863 8.0987 8.0987 8.3636 8.3636 8.3947 8.3947 9.0989 9.0989 10.2988 10.2988 10.7154 10.7154 10.8767 10.8767 11.1819 11.1819 11.2277 11.2277 12.8754 12.8754 k = 0.1224 0.1224-0.0000 ( 2281 PWs) bands (ev): -54.9190 -54.9190 -54.9118 -54.9118 -29.2668 -29.2668 -29.2213 -29.2213 -28.4635 -28.4635 -28.4544 -28.4544 -28.3656 -28.3656 -28.3215 -28.3215 -9.1703 -9.1703 -7.9212 -7.9212 -7.4932 -7.4932 -7.4333 -7.4333 3.2572 3.2572 3.8310 3.8310 4.3120 4.3120 5.4580 5.4580 5.5052 5.5052 6.0428 6.0428 6.3458 6.3458 7.2835 7.2835 8.1646 8.1646 8.3916 8.3916 8.4320 8.4320 9.1140 9.1140 10.2996 10.2996 10.6800 10.6800 10.8761 10.8761 11.1467 11.1467 11.1895 11.1895 12.8939 12.8939 k = 0.1122 0.1122-0.0000 ( 2281 PWs) bands (ev): -54.9191 -54.9191 -54.9117 -54.9117 -29.2674 -29.2674 -29.2208 -29.2208 -28.4637 -28.4637 -28.4547 -28.4547 -28.3659 -28.3659 -28.3207 -28.3207 -9.1859 -9.1859 -7.9126 -7.9126 -7.4837 -7.4837 -7.4299 -7.4299 3.2388 3.2388 3.8078 3.8078 4.2826 4.2826 5.4592 5.4592 5.5002 5.5002 6.0803 6.0803 6.3398 6.3398 7.2813 7.2813 8.2301 8.2301 8.4182 8.4182 8.4689 8.4689 9.1271 9.1271 10.3002 10.3002 10.6428 10.6428 10.8756 10.8756 11.1115 11.1115 11.1531 11.1531 12.9105 12.9115 k = 0.1020 0.1020-0.0000 ( 2283 PWs) bands (ev): -54.9192 -54.9192 -54.9116 -54.9116 -29.2679 -29.2679 -29.2202 -29.2202 -28.4639 -28.4639 -28.4549 -28.4549 -28.3660 -28.3660 -28.3200 -28.3200 -9.2002 -9.2002 -7.9051 -7.9051 -7.4743 -7.4743 -7.4266 -7.4266 3.2200 3.2200 3.7871 3.7871 4.2557 4.2557 5.4604 5.4604 5.4953 5.4953 6.1163 6.1163 6.3344 6.3344 7.2797 7.2797 8.2947 8.2947 8.4440 8.4440 8.5046 8.5046 9.1381 9.1381 10.3007 10.3007 10.6042 10.6042 10.8751 10.8751 11.0769 11.0769 11.1188 11.1188 12.8841 12.8841 k = 0.0918 0.0918-0.0000 ( 2287 PWs) bands (ev): -54.9193 -54.9193 -54.9115 -54.9115 -29.2684 -29.2684 -29.2197 -29.2197 -28.4641 -28.4641 -28.4552 -28.4552 -28.3662 -28.3662 -28.3194 -28.3194 -9.2133 -9.2133 -7.8988 -7.8988 -7.4653 -7.4653 -7.4235 -7.4235 3.2012 3.2012 3.7689 3.7689 4.2311 4.2311 5.4615 5.4615 5.4905 5.4905 6.1502 6.1502 6.3295 6.3295 7.2785 7.2785 8.3576 8.3576 8.4689 8.4689 8.5387 8.5387 9.1472 9.1472 10.3010 10.3010 10.5649 10.5649 10.8747 10.8747 11.0434 11.0434 11.0870 11.0870 12.8577 12.8577 k = 0.0816 0.0816-0.0000 ( 2287 PWs) bands (ev): -54.9194 -54.9194 -54.9115 -54.9115 -29.2688 -29.2688 -29.2193 -29.2193 -28.4643 -28.4643 -28.4554 -28.4554 -28.3663 -28.3663 -28.3188 -28.3188 -9.2252 -9.2252 -7.8933 -7.8933 -7.4569 -7.4569 -7.4204 -7.4204 3.1829 3.1829 3.7532 3.7532 4.2091 4.2091 5.4624 5.4624 5.4860 5.4860 6.1817 6.1817 6.3252 6.3252 7.2777 7.2777 8.4175 8.4175 8.4931 8.4931 8.5707 8.5707 9.1545 9.1545 10.3012 10.3012 10.5256 10.5256 10.8742 10.8742 11.0117 11.0117 11.0577 11.0577 12.8338 12.8338 k = 0.0714 0.0714-0.0000 ( 2289 PWs) bands (ev): -54.9194 -54.9194 -54.9114 -54.9114 -29.2692 -29.2692 -29.2189 -29.2189 -28.4644 -28.4644 -28.4556 -28.4556 -28.3664 -28.3664 -28.3183 -28.3183 -9.2357 -9.2357 -7.8888 -7.8888 -7.4493 -7.4493 -7.4175 -7.4175 3.1655 3.1655 3.7399 3.7399 4.1896 4.1896 5.4633 5.4633 5.4818 5.4818 6.2102 6.2102 6.3213 6.3213 7.2771 7.2771 8.4725 8.4725 8.5174 8.5174 8.6004 8.6004 9.1602 9.1602 10.3011 10.3011 10.4873 10.4873 10.8738 10.8738 10.9821 10.9821 11.0313 11.0313 12.8125 12.8125 k = 0.0612 0.0612-0.0000 ( 2289 PWs) bands (ev): -54.9195 -54.9195 -54.9114 -54.9114 -29.2695 -29.2695 -29.2185 -29.2185 -28.4646 -28.4646 -28.4557 -28.4557 -28.3665 -28.3665 -28.3178 -28.3178 -9.2449 -9.2449 -7.8850 -7.8850 -7.4427 -7.4427 -7.4145 -7.4145 3.1494 3.1494 3.7288 3.7288 4.1726 4.1726 5.4640 5.4640 5.4781 5.4781 6.2356 6.2356 6.3180 6.3180 7.2768 7.2768 8.5160 8.5160 8.5469 8.5469 8.6274 8.6274 9.1643 9.1643 10.3007 10.3007 10.4509 10.4509 10.8733 10.8733 10.9553 10.9553 11.0080 11.0080 12.7938 12.7938 k = 0.0510 0.0510-0.0000 ( 2293 PWs) bands (ev): -54.9195 -54.9195 -54.9113 -54.9113 -29.2698 -29.2698 -29.2182 -29.2182 -28.4647 -28.4647 -28.4559 -28.4559 -28.3666 -28.3666 -28.3174 -28.3174 -9.2528 -9.2528 -7.8819 -7.8819 -7.4372 -7.4372 -7.4117 -7.4117 3.1351 3.1351 3.7197 3.7197 4.1582 4.1582 5.4645 5.4645 5.4748 5.4748 6.2574 6.2574 6.3152 6.3152 7.2766 7.2766 8.5418 8.5418 8.5864 8.5864 8.6514 8.6514 9.1672 9.1672 10.2997 10.2997 10.4178 10.4178 10.8726 10.8726 10.9318 10.9318 10.9879 10.9879 12.7779 12.7779 k = 0.0408 0.0408-0.0000 ( 2293 PWs) bands (ev): -54.9196 -54.9196 -54.9113 -54.9113 -29.2701 -29.2701 -29.2180 -29.2180 -28.4649 -28.4649 -28.4560 -28.4560 -28.3666 -28.3666 -28.3170 -28.3170 -9.2592 -9.2592 -7.8795 -7.8795 -7.4329 -7.4329 -7.4090 -7.4090 3.1229 3.1229 3.7125 3.7125 4.1464 4.1464 5.4649 5.4649 5.4722 5.4722 6.2756 6.2756 6.3130 6.3130 7.2765 7.2765 8.5589 8.5589 8.6251 8.6251 8.6723 8.6723 9.1691 9.1691 10.2980 10.2980 10.3894 10.3894 10.8718 10.8718 10.9122 10.9122 10.9713 10.9713 12.7648 12.7648 k = 0.0306 0.0306-0.0000 ( 2293 PWs) bands (ev): -54.9196 -54.9196 -54.9113 -54.9113 -29.2702 -29.2702 -29.2178 -29.2178 -28.4650 -28.4650 -28.4561 -28.4561 -28.3667 -28.3667 -28.3168 -28.3168 -9.2643 -9.2643 -7.8777 -7.8777 -7.4298 -7.4298 -7.4066 -7.4066 3.1132 3.1132 3.7070 3.7070 4.1372 4.1372 5.4650 5.4650 5.4703 5.4703 6.2899 6.2899 6.3113 6.3113 7.2764 7.2764 8.5715 8.5715 8.6567 8.6567 8.6900 8.6900 9.1702 9.1702 10.2954 10.2954 10.3670 10.3670 10.8704 10.8704 10.8972 10.8972 10.9582 10.9582 12.7545 12.7545 k = 0.0204 0.0204-0.0000 ( 2293 PWs) bands (ev): -54.9196 -54.9196 -54.9112 -54.9112 -29.2704 -29.2704 -29.2177 -29.2177 -28.4650 -28.4650 -28.4561 -28.4561 -28.3667 -28.3667 -28.3166 -28.3166 -9.2679 -9.2679 -7.8764 -7.8764 -7.4276 -7.4276 -7.4047 -7.4047 3.1060 3.1060 3.7032 3.7032 4.1306 4.1306 5.4649 5.4649 5.4691 5.4691 6.3000 6.3000 6.3103 6.3103 7.2764 7.2764 8.5806 8.5806 8.6788 8.6788 8.7046 8.7046 9.1708 9.1708 10.2920 10.2920 10.3515 10.3515 10.8681 10.8681 10.8875 10.8875 10.9488 10.9488 12.7471 12.7471 k = 0.0102 0.0102-0.0000 ( 2305 PWs) bands (ev): -54.9196 -54.9196 -54.9112 -54.9112 -29.2705 -29.2705 -29.2176 -29.2176 -28.4651 -28.4651 -28.4562 -28.4562 -28.3667 -28.3667 -28.3165 -28.3165 -9.2701 -9.2701 -7.8756 -7.8756 -7.4264 -7.4264 -7.4035 -7.4035 3.1017 3.1017 3.7010 3.7010 4.1266 4.1266 5.4646 5.4646 5.4685 5.4685 6.3054 6.3054 6.3103 6.3103 7.2764 7.2764 8.5860 8.5860 8.6911 8.6911 8.7150 8.7150 9.1710 9.1710 10.2887 10.2887 10.3430 10.3430 10.8655 10.8655 10.8828 10.8828 10.9431 10.9431 12.7427 12.7427 k = 0.0000 0.0000 0.0000 ( 2311 PWs) bands (ev): -54.9197 -54.9197 -54.9112 -54.9112 -29.2705 -29.2705 -29.2176 -29.2176 -28.4651 -28.4651 -28.4562 -28.4562 -28.3667 -28.3667 -28.3164 -28.3164 -9.2708 -9.2708 -7.8754 -7.8754 -7.4260 -7.4260 -7.4031 -7.4031 3.1002 3.1002 3.7002 3.7002 4.1253 4.1253 5.4645 5.4645 5.4684 5.4684 6.3066 6.3066 6.3109 6.3109 7.2764 7.2764 8.5878 8.5878 8.6949 8.6949 8.7189 8.7189 9.1711 9.1711 10.2874 10.2874 10.3404 10.3404 10.8644 10.8644 10.8815 10.8815 10.9412 10.9412 12.7412 12.7412 k = 0.0000 0.0000 0.0000 ( 2311 PWs) bands (ev): -54.9197 -54.9197 -54.9112 -54.9112 -29.2705 -29.2705 -29.2176 -29.2176 -28.4651 -28.4651 -28.4562 -28.4562 -28.3667 -28.3667 -28.3164 -28.3164 -9.2708 -9.2708 -7.8754 -7.8754 -7.4260 -7.4260 -7.4031 -7.4031 3.1002 3.1002 3.7002 3.7002 4.1253 4.1253 5.4645 5.4645 5.4684 5.4684 6.3066 6.3066 6.3109 6.3109 7.2764 7.2764 8.5878 8.5878 8.6949 8.6949 8.7189 8.7189 9.1711 9.1711 10.2874 10.2874 10.3404 10.3404 10.8644 10.8644 10.8815 10.8815 10.9412 10.9412 12.7412 12.7412 k = 0.0000 0.0000 0.0144 ( 2311 PWs) bands (ev): -54.9196 -54.9196 -54.9112 -54.9112 -29.2705 -29.2705 -29.2177 -29.2177 -28.4652 -28.4652 -28.4563 -28.4563 -28.3668 -28.3668 -28.3164 -28.3164 -9.2700 -9.2700 -7.8750 -7.8750 -7.4263 -7.4263 -7.4033 -7.4033 3.1014 3.1014 3.7011 3.7011 4.1263 4.1263 5.4617 5.4617 5.4655 5.4655 6.3100 6.3100 6.3143 6.3143 7.2731 7.2731 8.5830 8.5830 8.6927 8.6927 8.7167 8.7167 9.1710 9.1710 10.2905 10.2905 10.3416 10.3416 10.8658 10.8658 10.8829 10.8829 10.9405 10.9405 12.7427 12.7427 k = 0.0000 0.0000 0.0288 ( 2299 PWs) bands (ev): -54.9195 -54.9195 -54.9111 -54.9111 -29.2707 -29.2707 -29.2179 -29.2179 -28.4657 -28.4657 -28.4564 -28.4564 -28.3669 -28.3669 -28.3163 -28.3163 -9.2675 -9.2675 -7.8737 -7.8737 -7.4270 -7.4270 -7.4041 -7.4041 3.1051 3.1051 3.7037 3.7037 4.1292 4.1292 5.4533 5.4533 5.4570 5.4570 6.3199 6.3199 6.3244 6.3244 7.2634 7.2634 8.5688 8.5688 8.6861 8.6861 8.7103 8.7103 9.1707 9.1707 10.2999 10.2999 10.3452 10.3452 10.8700 10.8700 10.8871 10.8871 10.9385 10.9385 12.7470 12.7470 k = 0.0000 0.0000 0.0432 ( 2291 PWs) bands (ev): -54.9194 -54.9194 -54.9110 -54.9110 -29.2710 -29.2710 -29.2184 -29.2184 -28.4664 -28.4664 -28.4568 -28.4568 -28.3671 -28.3671 -28.3162 -28.3162 -9.2634 -9.2634 -7.8717 -7.8717 -7.4282 -7.4282 -7.4053 -7.4053 3.1111 3.1111 3.7081 3.7081 4.1341 4.1341 5.4399 5.4399 5.4433 5.4433 6.3359 6.3359 6.3406 6.3406 7.2472 7.2472 8.5454 8.5454 8.6752 8.6752 8.6998 8.6998 9.1702 9.1702 10.3151 10.3151 10.3512 10.3512 10.8769 10.8769 10.8941 10.8941 10.9351 10.9351 12.7543 12.7543 k = 0.0000 0.0000 0.0576 ( 2283 PWs) bands (ev): -54.9192 -54.9192 -54.9108 -54.9108 -29.2714 -29.2714 -29.2190 -29.2190 -28.4675 -28.4675 -28.4572 -28.4572 -28.3673 -28.3673 -28.3161 -28.3161 -9.2576 -9.2576 -7.8688 -7.8688 -7.4298 -7.4298 -7.4071 -7.4071 3.1196 3.1196 3.7142 3.7142 4.1409 4.1409 5.4220 5.4220 5.4250 5.4250 6.3573 6.3573 6.3623 6.3623 7.2248 7.2248 8.5133 8.5133 8.6602 8.6602 8.6851 8.6851 9.1695 9.1695 10.3358 10.3358 10.3594 10.3594 10.8863 10.8863 10.9038 10.9038 10.9305 10.9305 12.7643 12.7643 k = 0.0000 0.0000 0.0720 ( 2271 PWs) bands (ev): -54.9189 -54.9189 -54.9106 -54.9106 -29.2720 -29.2720 -29.2199 -29.2199 -28.4688 -28.4688 -28.4578 -28.4578 -28.3676 -28.3676 -28.3159 -28.3159 -9.2502 -9.2502 -7.8652 -7.8652 -7.4320 -7.4320 -7.4093 -7.4093 3.1304 3.1304 3.7220 3.7220 4.1496 4.1496 5.4005 5.4005 5.4031 5.4031 6.3835 6.3835 6.3888 6.3888 7.1964 7.1964 8.4729 8.4729 8.6413 8.6413 8.6664 8.6664 9.1684 9.1684 10.3612 10.3612 10.3698 10.3698 10.8972 10.8972 10.9160 10.9160 10.9257 10.9257 12.7771 12.7771 k = 0.0000 0.0000 0.0864 ( 2271 PWs) bands (ev): -54.9187 -54.9187 -54.9104 -54.9104 -29.2727 -29.2727 -29.2209 -29.2209 -28.4704 -28.4704 -28.4586 -28.4586 -28.3680 -28.3680 -28.3157 -28.3157 -9.2412 -9.2412 -7.8608 -7.8608 -7.4346 -7.4346 -7.4120 -7.4120 3.1436 3.1436 3.7315 3.7315 4.1603 4.1603 5.3759 5.3759 5.3781 5.3781 6.4136 6.4136 6.4192 6.4192 7.1623 7.1623 8.4252 8.4252 8.6187 8.6187 8.6438 8.6438 9.1670 9.1670 10.3820 10.3820 10.3909 10.3909 10.9054 10.9054 10.9249 10.9249 10.9307 10.9307 12.7925 12.7925 k = 0.0000 0.0000 0.1008 ( 2276 PWs) bands (ev): -54.9183 -54.9183 -54.9100 -54.9100 -29.2735 -29.2735 -29.2221 -29.2221 -28.4722 -28.4722 -28.4595 -28.4595 -28.3683 -28.3683 -28.3155 -28.3155 -9.2306 -9.2306 -7.8556 -7.8556 -7.4376 -7.4376 -7.4152 -7.4152 3.1591 3.1591 3.7427 3.7427 4.1730 4.1730 5.3492 5.3492 5.3508 5.3508 6.4469 6.4469 6.4529 6.4529 7.1228 7.1228 8.3708 8.3708 8.5924 8.5924 8.6175 8.6175 9.1652 9.1652 10.3961 10.3961 10.4240 10.4240 10.9021 10.9021 10.9365 10.9365 10.9478 10.9478 12.8104 12.8104 k = 0.0000 0.0000 0.1152 ( 2264 PWs) bands (ev): -54.9179 -54.9179 -54.9097 -54.9097 -29.2744 -29.2744 -29.2235 -29.2235 -28.4744 -28.4744 -28.4606 -28.4606 -28.3687 -28.3687 -28.3152 -28.3152 -9.2184 -9.2184 -7.8497 -7.8497 -7.4411 -7.4411 -7.4189 -7.4189 3.1770 3.1770 3.7555 3.7555 4.1875 4.1875 5.3208 5.3208 5.3219 5.3219 6.4827 6.4827 6.4891 6.4891 7.0783 7.0783 8.3104 8.3104 8.5627 8.5627 8.5876 8.5876 9.1630 9.1630 10.4117 10.4117 10.4602 10.4602 10.8935 10.8935 10.9548 10.9548 10.9670 10.9670 12.8307 12.8307 k = 0.0000 0.0000 0.1296 ( 2264 PWs) bands (ev): -54.9175 -54.9175 -54.9093 -54.9093 -29.2754 -29.2754 -29.2251 -29.2251 -28.4767 -28.4767 -28.4620 -28.4620 -28.3690 -28.3690 -28.3148 -28.3148 -9.2047 -9.2047 -7.8432 -7.8432 -7.4450 -7.4450 -7.4230 -7.4230 3.1971 3.1971 3.7699 3.7699 4.2040 4.2040 5.2914 5.2914 5.2919 5.2919 6.5205 6.5205 6.5272 6.5272 7.0292 7.0292 8.2448 8.2448 8.5298 8.5298 8.5544 8.5544 9.1601 9.1601 10.4287 10.4287 10.4987 10.4987 10.8830 10.8830 10.9759 10.9759 10.9882 10.9882 12.8532 12.8532 k = 0.0000 0.0000 0.1440 ( 2280 PWs) bands (ev): -54.9170 -54.9170 -54.9089 -54.9089 -29.2766 -29.2766 -29.2268 -29.2268 -28.4794 -28.4794 -28.4635 -28.4635 -28.3693 -28.3693 -28.3144 -28.3144 -9.1894 -9.1894 -7.8359 -7.8359 -7.4494 -7.4494 -7.4276 -7.4276 3.2194 3.2194 3.7859 3.7859 4.2224 4.2224 5.2613 5.2613 5.2614 5.2614 6.5598 6.5598 6.5668 6.5668 6.9759 6.9759 8.1746 8.1746 8.4936 8.4936 8.5180 8.5180 9.1565 9.1565 10.4468 10.4468 10.5391 10.5391 10.8714 10.8714 10.9992 10.9992 11.0113 11.0113 12.8778 12.8778 k = 0.0000 0.0000 0.1584 ( 2284 PWs) bands (ev): -54.9165 -54.9165 -54.9084 -54.9084 -29.2779 -29.2779 -29.2287 -29.2287 -28.4822 -28.4822 -28.4652 -28.4652 -28.3695 -28.3695 -28.3140 -28.3140 -9.1726 -9.1726 -7.8280 -7.8280 -7.4542 -7.4542 -7.4326 -7.4326 3.2439 3.2439 3.8033 3.8033 4.2427 4.2427 5.2306 5.2306 5.2312 5.2312 6.6002 6.6002 6.6074 6.6074 6.9187 6.9187 8.1005 8.1005 8.4546 8.4546 8.4786 8.4786 9.1520 9.1520 10.4660 10.4660 10.5810 10.5810 10.8589 10.8589 11.0243 11.0243 11.0360 11.0360 12.9042 12.9042 k = 0.0000 0.0000 0.1728 ( 2284 PWs) bands (ev): -54.9159 -54.9159 -54.9079 -54.9079 -29.2793 -29.2793 -29.2309 -29.2309 -28.4853 -28.4853 -28.4671 -28.4671 -28.3696 -28.3696 -28.3136 -28.3136 -9.1544 -9.1544 -7.8196 -7.8196 -7.4593 -7.4593 -7.4380 -7.4380 3.2705 3.2705 3.8222 3.8222 4.2649 4.2649 5.2000 5.2000 5.2011 5.2011 6.6412 6.6412 6.6485 6.6485 6.8583 6.8583 8.0229 8.0229 8.4128 8.4128 8.4363 8.4363 9.1466 9.1466 10.4860 10.4860 10.6241 10.6241 10.8458 10.8458 11.0510 11.0510 11.0623 11.0623 12.9324 12.9324 k = 0.0000 0.0000 0.1872 ( 2284 PWs) bands (ev): -54.9153 -54.9153 -54.9074 -54.9074 -29.2809 -29.2809 -29.2332 -29.2332 -28.4885 -28.4885 -28.4693 -28.4693 -28.3696 -28.3696 -28.3131 -28.3131 -9.1347 -9.1347 -7.8105 -7.8105 -7.4649 -7.4649 -7.4438 -7.4438 3.2991 3.2991 3.8425 3.8425 4.2889 4.2889 5.1698 5.1698 5.1715 5.1715 6.6826 6.6826 6.6895 6.6895 6.7952 6.7952 7.9424 7.9424 8.3683 8.3683 8.3915 8.3915 9.1401 9.1401 10.5068 10.5068 10.6681 10.6681 10.8324 10.8324 11.0791 11.0791 11.0899 11.0899 12.9195 12.9195 k = 0.0000 0.0000 0.2016 ( 2288 PWs) bands (ev): -54.9146 -54.9146 -54.9068 -54.9068 -29.2825 -29.2825 -29.2357 -29.2357 -28.4920 -28.4920 -28.4716 -28.4716 -28.3695 -28.3695 -28.3126 -28.3126 -9.1136 -9.1136 -7.8010 -7.8010 -7.4708 -7.4708 -7.4500 -7.4500 3.3298 3.3298 3.8641 3.8641 4.3149 4.3149 5.1404 5.1404 5.1426 5.1426 6.7180 6.7180 6.7240 6.7240 6.7421 6.7421 7.8594 7.8594 8.3214 8.3214 8.3442 8.3442 9.1323 9.1323 10.5282 10.5282 10.7128 10.7128 10.8187 10.8187 11.1084 11.1084 11.1188 11.1188 12.9043 12.9043 k = 0.0000 0.0000 0.2160 ( 2280 PWs) bands (ev): -54.9139 -54.9139 -54.9062 -54.9062 -29.2843 -29.2843 -29.2383 -29.2383 -28.4955 -28.4955 -28.4742 -28.4742 -28.3692 -28.3692 -28.3120 -28.3120 -9.0912 -9.0912 -7.7910 -7.7910 -7.4771 -7.4771 -7.4566 -7.4566 3.3624 3.3624 3.8870 3.8870 4.3427 4.3427 5.1118 5.1118 5.1146 5.1146 6.6576 6.6576 6.7653 6.7653 6.7754 6.7754 7.7742 7.7742 8.2723 8.2723 8.2946 8.2946 9.1230 9.1230 10.5501 10.5501 10.7579 10.7579 10.8051 10.8051 11.1388 11.1388 11.1487 11.1487 12.8880 12.8880 k = 0.0000 0.0000 0.2304 ( 2288 PWs) bands (ev): -54.9131 -54.9131 -54.9055 -54.9055 -29.2863 -29.2863 -29.2411 -29.2411 -28.4993 -28.4993 -28.4771 -28.4771 -28.3689 -28.3689 -28.3114 -28.3114 -9.0674 -9.0674 -7.7806 -7.7806 -7.4836 -7.4836 -7.4635 -7.4635 3.3968 3.3968 3.9110 3.9110 4.3724 4.3724 5.0843 5.0843 5.0877 5.0877 6.5877 6.5877 6.8062 6.8062 6.8160 6.8160 7.6873 7.6873 8.2211 8.2211 8.2429 8.2429 9.1121 9.1121 10.5723 10.5723 10.7916 10.7916 10.8033 10.8033 11.1700 11.1700 11.1794 11.1794 12.8706 12.8706 k = 0.0000 0.0000 0.2448 ( 2288 PWs) bands (ev): -54.9124 -54.9124 -54.9049 -54.9049 -29.2884 -29.2884 -29.2441 -29.2441 -28.5032 -28.5032 -28.4801 -28.4801 -28.3683 -28.3683 -28.3108 -28.3108 -9.0424 -9.0424 -7.7699 -7.7699 -7.4905 -7.4905 -7.4707 -7.4707 3.4329 3.4329 3.9362 3.9362 4.4040 4.4040 5.0580 5.0580 5.0619 5.0619 6.5157 6.5157 6.8465 6.8465 6.8564 6.8564 7.5991 7.5991 8.1679 8.1679 8.1893 8.1893 9.0994 9.0994 10.5950 10.5950 10.7786 10.7786 10.8489 10.8489 11.2019 11.2019 11.2109 11.2109 12.8522 12.8522 k = 0.0000 0.0000 0.2592 ( 2288 PWs) bands (ev): -54.9116 -54.9116 -54.9042 -54.9042 -29.2906 -29.2906 -29.2473 -29.2473 -28.5071 -28.5071 -28.4833 -28.4833 -28.3677 -28.3677 -28.3102 -28.3102 -9.0162 -9.0162 -7.7588 -7.7588 -7.4977 -7.4977 -7.4783 -7.4783 3.4708 3.4708 3.9623 3.9623 4.4373 4.4373 5.0330 5.0330 5.0375 5.0375 6.4425 6.4425 6.8861 6.8861 6.8961 6.8961 7.5097 7.5097 8.1130 8.1130 8.1339 8.1339 9.0847 9.0847 10.6179 10.6179 10.7664 10.7664 10.8946 10.8946 11.2345 11.2345 11.2430 11.2430 12.8327 12.8327 k = 0.0000 0.0000 0.2736 ( 2296 PWs) bands (ev): -54.9107 -54.9107 -54.9034 -54.9034 -29.2929 -29.2929 -29.2507 -29.2507 -28.5112 -28.5112 -28.4867 -28.4867 -28.3669 -28.3669 -28.3095 -28.3095 -8.9887 -8.9887 -7.7476 -7.7476 -7.5052 -7.5052 -7.4861 -7.4861 3.5101 3.5101 3.9894 3.9894 4.4725 4.4725 5.0095 5.0095 5.0146 5.0146 6.3684 6.3684 6.9247 6.9247 6.9350 6.9350 7.4195 7.4195 8.0565 8.0565 8.0769 8.0769 9.0677 9.0677 10.6410 10.6410 10.7550 10.7550 10.9403 10.9403 11.2676 11.2676 11.2756 11.2756 12.8121 12.8121 k = 0.0000 0.0000 0.2880 ( 2296 PWs) bands (ev): -54.9098 -54.9098 -54.9027 -54.9027 -29.2953 -29.2953 -29.2541 -29.2541 -28.5153 -28.5153 -28.4903 -28.4903 -28.3659 -28.3659 -28.3088 -28.3088 -8.9602 -8.9602 -7.7361 -7.7361 -7.5128 -7.5128 -7.4942 -7.4942 3.5510 3.5510 4.0174 4.0174 4.5095 4.5095 4.9876 4.9876 4.9932 4.9932 6.2936 6.2936 6.9623 6.9623 6.9729 6.9729 7.3288 7.3288 7.9986 7.9986 8.0185 8.0185 9.0484 9.0484 10.6644 10.6644 10.7447 10.7447 10.9860 10.9860 11.3009 11.3009 11.3085 11.3085 12.7906 12.7906 k = 0.0000 0.0000 0.3024 ( 2296 PWs) bands (ev): -54.9089 -54.9089 -54.9019 -54.9019 -29.2979 -29.2979 -29.2578 -29.2578 -28.5195 -28.5195 -28.4940 -28.4940 -28.3648 -28.3648 -28.3081 -28.3081 -8.9305 -8.9305 -7.7245 -7.7245 -7.5207 -7.5207 -7.5025 -7.5025 3.5932 3.5932 4.0460 4.0460 4.5483 4.5483 4.9673 4.9673 4.9735 4.9735 6.2186 6.2186 6.9986 6.9986 7.0095 7.0095 7.2379 7.2379 7.9395 7.9395 7.9589 7.9589 9.0265 9.0265 10.6880 10.6880 10.7358 10.7358 11.0314 11.0314 11.3345 11.3345 11.3416 11.3416 12.7680 12.7680 k = 0.0000 0.0000 0.3168 ( 2300 PWs) bands (ev): -54.9080 -54.9080 -54.9011 -54.9011 -29.3006 -29.3006 -29.2616 -29.2616 -28.5237 -28.5237 -28.4978 -28.4978 -28.3636 -28.3636 -28.3074 -28.3074 -8.8999 -8.8999 -7.7129 -7.7129 -7.5288 -7.5288 -7.5111 -7.5111 3.6366 3.6366 4.0753 4.0753 4.5888 4.5888 4.9487 4.9487 4.9554 4.9554 6.1436 6.1436 7.0332 7.0332 7.0448 7.0448 7.1471 7.1471 7.8794 7.8794 7.8982 7.8982 9.0020 9.0020 10.7118 10.7118 10.7285 10.7285 11.0767 11.0767 11.3681 11.3681 11.3748 11.3748 12.7444 12.7444 k = 0.0000 0.0000 0.3312 ( 2304 PWs) bands (ev): -54.9071 -54.9071 -54.9004 -54.9004 -29.3034 -29.3034 -29.2655 -29.2655 -28.5279 -28.5279 -28.5017 -28.5017 -28.3622 -28.3622 -28.3067 -28.3067 -8.8683 -8.8683 -7.7014 -7.7014 -7.5371 -7.5371 -7.5198 -7.5198 3.6811 3.6811 4.1050 4.1050 4.6311 4.6311 4.9320 4.9320 4.9392 4.9392 6.0688 6.0688 7.0506 7.0506 7.0723 7.0723 7.0786 7.0786 7.8185 7.8185 7.8367 7.8367 8.9746 8.9746 10.7229 10.7229 10.7358 10.7358 11.1217 11.1217 11.4017 11.4017 11.4080 11.4080 12.7198 12.7198 k = 0.0000 0.0000 0.3456 ( 2288 PWs) bands (ev): -54.9061 -54.9061 -54.8995 -54.8995 -29.3063 -29.3063 -29.2695 -29.2695 -28.5321 -28.5321 -28.5057 -28.5057 -28.3608 -28.3608 -28.3059 -28.3059 -8.8358 -8.8358 -7.6899 -7.6899 -7.5454 -7.5454 -7.5287 -7.5287 3.7266 3.7266 4.1352 4.1352 4.6751 4.6751 4.9171 4.9171 4.9248 4.9248 5.9947 5.9947 6.9644 6.9644 7.0997 7.0997 7.1107 7.1107 7.7571 7.7571 7.7746 7.7746 8.9443 8.9443 10.7192 10.7192 10.7601 10.7601 11.1664 11.1664 11.4351 11.4351 11.4410 11.4410 12.6942 12.6942 k = 0.0000 0.0000 0.3600 ( 2296 PWs) bands (ev): -54.9052 -54.9052 -54.8987 -54.8987 -29.3093 -29.3093 -29.2737 -29.2737 -28.5362 -28.5362 -28.5098 -28.5098 -28.3592 -28.3592 -28.3052 -28.3052 -8.8025 -8.8025 -7.6786 -7.6786 -7.5539 -7.5539 -7.5377 -7.5377 3.7728 3.7728 4.1655 4.1655 4.7208 4.7208 4.9040 4.9040 4.9123 4.9123 5.9214 5.9214 6.8748 6.8748 7.1290 7.1290 7.1408 7.1408 7.6956 7.6956 7.7123 7.7123 8.9109 8.9109 10.7174 10.7174 10.7846 10.7846 11.2107 11.2107 11.4683 11.4683 11.4737 11.4737 12.6677 12.6677 k = 0.0000 0.0000 0.3744 ( 2296 PWs) bands (ev): -54.9042 -54.9042 -54.8979 -54.8979 -29.3123 -29.3123 -29.2780 -29.2780 -28.5403 -28.5403 -28.5139 -28.5139 -28.3575 -28.3575 -28.3045 -28.3045 -8.7684 -8.7684 -7.6676 -7.6676 -7.5624 -7.5624 -7.5468 -7.5468 3.8197 3.8197 4.1960 4.1960 4.7682 4.7682 4.8929 4.8929 4.9017 4.9017 5.8492 5.8492 6.7859 6.7859 7.1558 7.1558 7.1684 7.1684 7.6346 7.6346 7.6504 7.6504 8.8745 8.8745 10.7178 10.7178 10.8094 10.8094 11.2546 11.2546 11.5011 11.5011 11.5062 11.5062 12.6403 12.6403 k = 0.0000 0.0000 0.3888 ( 2300 PWs) bands (ev): -54.9032 -54.9032 -54.8971 -54.8971 -29.3155 -29.3155 -29.2823 -29.2823 -28.5444 -28.5444 -28.5180 -28.5180 -28.3558 -28.3558 -28.3037 -28.3037 -8.7336 -8.7336 -7.6569 -7.6569 -7.5710 -7.5710 -7.5560 -7.5560 3.8670 3.8670 4.2265 4.2265 4.8172 4.8172 4.8838 4.8838 4.8932 4.8932 5.7784 5.7784 6.6980 6.6980 7.1791 7.1791 7.1928 7.1928 7.5751 7.5751 7.5895 7.5895 8.8351 8.8351 10.7204 10.7204 10.8345 10.8345 11.2980 11.2980 11.5334 11.5334 11.5381 11.5381 12.6119 12.6119 k = 0.0000 0.0000 0.4032 ( 2292 PWs) bands (ev): -54.9022 -54.9022 -54.8963 -54.8963 -29.3188 -29.3188 -29.2868 -29.2868 -28.5484 -28.5484 -28.5222 -28.5222 -28.3540 -28.3540 -28.3030 -28.3030 -8.6981 -8.6981 -7.6467 -7.6467 -7.5794 -7.5794 -7.5652 -7.5652 3.9146 3.9146 4.2567 4.2567 4.8672 4.8672 4.8766 4.8766 4.8872 4.8872 5.7092 5.7092 6.6114 6.6114 7.1972 7.1972 7.2125 7.2125 7.5188 7.5188 7.5314 7.5314 8.7926 8.7926 10.7251 10.7251 10.8600 10.8600 11.3408 11.3408 11.5652 11.5652 11.5695 11.5695 12.5826 12.5826 k = 0.0000 0.0000 0.4176 ( 2284 PWs) bands (ev): -54.9012 -54.9012 -54.8954 -54.8954 -29.3221 -29.3221 -29.2913 -29.2913 -28.5523 -28.5523 -28.5263 -28.5263 -28.3521 -28.3521 -28.3023 -28.3023 -8.6621 -8.6621 -7.6371 -7.6371 -7.5877 -7.5877 -7.5744 -7.5744 3.9623 3.9623 4.2866 4.2866 4.8715 4.8715 4.8811 4.8811 4.9209 4.9209 5.6419 5.6419 6.5262 6.5262 7.2070 7.2070 7.2246 7.2246 7.4691 7.4691 7.4791 7.4791 8.7470 8.7470 10.7321 10.7321 10.8859 10.8859 11.3828 11.3828 11.5964 11.5964 11.6003 11.6003 12.5525 12.5525 k = 0.0000 0.0000 0.4320 ( 2284 PWs) bands (ev): -54.9002 -54.9002 -54.8946 -54.8946 -29.3254 -29.3254 -29.2959 -29.2959 -28.5561 -28.5561 -28.5304 -28.5304 -28.3501 -28.3501 -28.3016 -28.3016 -8.6256 -8.6256 -7.6286 -7.6286 -7.5955 -7.5955 -7.5837 -7.5837 4.0098 4.0098 4.3160 4.3160 4.8684 4.8684 4.8787 4.8787 4.9746 4.9746 5.5768 5.5768 6.4427 6.4427 7.2031 7.2031 7.2236 7.2236 7.4314 7.4314 7.4382 7.4382 8.6985 8.6985 10.7413 10.7413 10.9122 10.9122 11.4242 11.4242 11.6268 11.6268 11.6304 11.6304 12.5215 12.5215 k = 0.0000 0.0000 0.4464 ( 2280 PWs) bands (ev): -54.8992 -54.8992 -54.8938 -54.8938 -29.3288 -29.3288 -29.3005 -29.3005 -28.5597 -28.5597 -28.5344 -28.5344 -28.3481 -28.3481 -28.3010 -28.3010 -8.5887 -8.5887 -7.6223 -7.6223 -7.6015 -7.6015 -7.5929 -7.5929 4.0570 4.0570 4.3447 4.3447 4.8673 4.8673 4.8781 4.8781 5.0300 5.0300 5.5141 5.5141 6.3611 6.3611 7.1803 7.1803 7.2031 7.2031 7.4108 7.4108 7.4151 7.4151 8.6471 8.6471 10.7527 10.7527 10.9389 10.9389 11.4646 11.4646 11.6564 11.6564 11.6596 11.6596 12.4897 12.4897 k = 0.0000 0.0000 0.4608 ( 2288 PWs) bands (ev): -54.8982 -54.8982 -54.8930 -54.8930 -29.3322 -29.3322 -29.3051 -29.3051 -28.5633 -28.5633 -28.5384 -28.5384 -28.3461 -28.3461 -28.3003 -28.3003 -8.5514 -8.5514 -7.6218 -7.6218 -7.6023 -7.6023 -7.6020 -7.6020 4.1034 4.1034 4.3726 4.3726 4.8682 4.8682 4.8794 4.8794 5.0870 5.0870 5.4541 5.4541 6.2816 6.2816 7.1399 7.1399 7.1632 7.1632 7.4064 7.4064 7.4098 7.4098 8.5930 8.5930 10.7663 10.7663 10.9661 10.9661 11.5040 11.5040 11.6851 11.6851 11.6880 11.6880 12.4571 12.4571 k = 0.0000 0.0000 0.4752 ( 2288 PWs) bands (ev): -54.8973 -54.8973 -54.8922 -54.8922 -29.3357 -29.3357 -29.3098 -29.3098 -28.5667 -28.5667 -28.5423 -28.5423 -28.3440 -28.3440 -28.2997 -28.2997 -8.5139 -8.5139 -7.6272 -7.6272 -7.6111 -7.6111 -7.5979 -7.5979 4.1488 4.1488 4.3993 4.3993 4.8712 4.8712 4.8828 4.8828 5.1455 5.1455 5.3972 5.3972 6.2044 6.2044 7.0879 7.0879 7.1108 7.1108 7.4122 7.4122 7.4157 7.4157 8.5362 8.5362 10.7820 10.7820 10.9939 10.9939 11.5423 11.5423 11.7129 11.7129 11.7155 11.7155 12.4237 12.4237 k = 0.0000 0.0000 0.4896 ( 2288 PWs) bands (ev): -54.8963 -54.8963 -54.8914 -54.8914 -29.3391 -29.3391 -29.3144 -29.3144 -28.5699 -28.5699 -28.5461 -28.5461 -28.3419 -28.3419 -28.2992 -28.2992 -8.4762 -8.4762 -7.6345 -7.6345 -7.6200 -7.6200 -7.5923 -7.5923 4.1929 4.1929 4.4248 4.4248 4.8762 4.8762 4.8882 4.8882 5.2055 5.2055 5.3437 5.3437 6.1297 6.1297 7.0296 7.0296 7.0519 7.0519 7.4230 7.4230 7.4268 7.4268 8.4769 8.4769 10.7996 10.7996 11.0222 11.0222 11.5794 11.5794 11.7397 11.7397 11.7420 11.7420 12.3896 12.3896 k = 0.0000 0.0000 0.5040 ( 2296 PWs) bands (ev): -54.8954 -54.8954 -54.8907 -54.8907 -29.3425 -29.3425 -29.3191 -29.3191 -28.5730 -28.5730 -28.5499 -28.5499 -28.3398 -28.3398 -28.2986 -28.2986 -8.4383 -8.4383 -7.6422 -7.6422 -7.6287 -7.6287 -7.5869 -7.5869 4.2352 4.2352 4.4488 4.4488 4.8831 4.8831 4.8955 4.8955 5.2669 5.2669 5.2940 5.2940 6.0577 6.0577 6.9681 6.9681 6.9898 6.9898 7.4360 7.4360 7.4400 7.4400 8.4152 8.4152 10.8192 10.8192 11.0512 11.0512 11.6150 11.6150 11.7654 11.7654 11.7675 11.7675 12.3548 12.3548 k = 0.0000 0.0000 0.5184 ( 2296 PWs) bands (ev): -54.8944 -54.8944 -54.8899 -54.8899 -29.3459 -29.3459 -29.3236 -29.3236 -28.5759 -28.5759 -28.5535 -28.5535 -28.3377 -28.3377 -28.2982 -28.2982 -8.4004 -8.4004 -7.6499 -7.6499 -7.6373 -7.6373 -7.5823 -7.5823 4.2754 4.2754 4.4710 4.4710 4.8921 4.8921 4.9047 4.9047 5.2484 5.2484 5.3297 5.3297 5.9887 5.9887 6.9049 6.9049 6.9261 6.9261 7.4497 7.4497 7.4539 7.4539 8.3513 8.3513 10.8406 10.8406 11.0807 11.0807 11.6491 11.6491 11.7902 11.7902 11.7919 11.7919 12.3193 12.3193 k = 0.0000 0.0000 0.5327 ( 2296 PWs) bands (ev): -54.8935 -54.8935 -54.8892 -54.8892 -29.3492 -29.3492 -29.3282 -29.3282 -28.5787 -28.5787 -28.5570 -28.5570 -28.3356 -28.3356 -28.2977 -28.2977 -8.3626 -8.3626 -7.6576 -7.6576 -7.6457 -7.6457 -7.5785 -7.5785 4.3130 4.3130 4.4914 4.4914 4.9029 4.9029 4.9159 4.9159 5.2075 5.2075 5.3939 5.3939 5.9229 5.9229 6.8409 6.8409 6.8616 6.8616 7.4634 7.4634 7.4677 7.4677 8.2852 8.2852 10.8638 10.8638 11.1109 11.1109 11.6814 11.6814 11.8138 11.8138 11.8153 11.8153 12.2831 12.2831 k = 0.0000 0.0000 0.5471 ( 2296 PWs) bands (ev): -54.8926 -54.8926 -54.8885 -54.8885 -29.3524 -29.3524 -29.3326 -29.3326 -28.5813 -28.5813 -28.5604 -28.5604 -28.3334 -28.3334 -28.2974 -28.2974 -8.3248 -8.3248 -7.6650 -7.6650 -7.6538 -7.6538 -7.5758 -7.5758 4.3474 4.3474 4.5096 4.5096 4.9157 4.9157 4.9289 4.9289 5.1717 5.1717 5.4594 5.4594 5.8604 5.8604 6.7767 6.7767 6.7969 6.7969 7.4767 7.4767 7.4810 7.4810 8.2173 8.2173 10.8886 10.8886 11.1417 11.1417 11.7117 11.7117 11.8362 11.8362 11.8375 11.8375 12.2464 12.2464 k = 0.0000 0.0000 0.5615 ( 2296 PWs) bands (ev): -54.8918 -54.8918 -54.8879 -54.8879 -29.3556 -29.3556 -29.3370 -29.3370 -28.5837 -28.5837 -28.5637 -28.5637 -28.3313 -28.3313 -28.2970 -28.2970 -8.2873 -8.2873 -7.6722 -7.6722 -7.6617 -7.6617 -7.5741 -7.5741 4.3780 4.3780 4.5255 4.5255 4.9303 4.9303 4.9438 4.9438 5.1416 5.1416 5.5262 5.5262 5.8015 5.8015 6.7126 6.7126 6.7325 6.7325 7.4894 7.4894 7.4937 7.4937 8.1475 8.1475 10.9150 10.9150 11.1732 11.1732 11.7399 11.7399 11.8575 11.8575 11.8585 11.8585 12.2092 12.2092 k = 0.0000 0.0000 0.5759 ( 2296 PWs) bands (ev): -54.8909 -54.8909 -54.8872 -54.8872 -29.3587 -29.3587 -29.3412 -29.3412 -28.5860 -28.5860 -28.5669 -28.5669 -28.3293 -28.3293 -28.2968 -28.2968 -8.2500 -8.2500 -7.6792 -7.6792 -7.6693 -7.6693 -7.5736 -7.5736 4.4045 4.4045 4.5389 4.5389 4.9466 4.9466 4.9603 4.9603 5.1175 5.1175 5.5942 5.5942 5.7463 5.7463 6.6489 6.6489 6.6684 6.6684 7.5014 7.5014 7.5055 7.5055 8.0761 8.0761 10.9428 10.9428 11.2054 11.2054 11.7657 11.7657 11.8776 11.8776 11.8784 11.8784 12.1714 12.1714 k = 0.0000 0.0000 0.5903 ( 2292 PWs) bands (ev): -54.8901 -54.8901 -54.8867 -54.8867 -29.3616 -29.3616 -29.3453 -29.3453 -28.5880 -28.5880 -28.5699 -28.5699 -28.3272 -28.3272 -28.2966 -28.2966 -8.2131 -8.2131 -7.6858 -7.6858 -7.6765 -7.6765 -7.5742 -7.5742 4.4263 4.4263 4.5497 4.5497 4.9647 4.9647 4.9786 4.9786 5.0998 5.0998 5.6628 5.6628 5.6955 5.6955 6.5860 6.5860 6.6051 6.6051 7.5126 7.5126 7.5166 7.5166 8.0031 8.0031 10.9721 10.9721 11.2381 11.2381 11.7889 11.7889 11.8965 11.8965 11.8970 11.8970 12.1332 12.1332 k = 0.0000 0.0000 0.6047 ( 2296 PWs) bands (ev): -54.8894 -54.8894 -54.8861 -54.8861 -29.3644 -29.3644 -29.3493 -29.3493 -28.5899 -28.5899 -28.5728 -28.5728 -28.3252 -28.3252 -28.2965 -28.2965 -8.1766 -8.1766 -7.6922 -7.6922 -7.6835 -7.6835 -7.5762 -7.5762 4.4434 4.4434 4.5577 4.5577 4.9843 4.9843 4.9984 4.9984 5.0887 5.0887 5.6470 5.6470 5.7343 5.7343 6.5239 6.5239 6.5427 6.5427 7.5229 7.5229 7.5267 7.5267 7.9288 7.9288 11.0026 11.0026 11.2715 11.2715 11.8094 11.8094 11.9141 11.9141 11.9144 11.9144 12.0948 12.0948 k = 0.0000 0.0000 0.6191 ( 2320 PWs) bands (ev): -54.8886 -54.8886 -54.8856 -54.8856 -29.3671 -29.3671 -29.3531 -29.3531 -28.5916 -28.5916 -28.5755 -28.5755 -28.3232 -28.3232 -28.2964 -28.2964 -8.1406 -8.1406 -7.6982 -7.6982 -7.6901 -7.6901 -7.5794 -7.5794 4.4557 4.4557 4.5628 4.5628 5.0053 5.0053 5.0196 5.0196 5.0840 5.0840 5.6036 5.6036 5.8057 5.8057 6.4630 6.4630 6.4814 6.4814 7.5325 7.5325 7.5361 7.5361 7.8533 7.8533 11.0343 11.0343 11.3054 11.3054 11.8267 11.8267 11.9299 11.9299 11.9307 11.9307 12.0562 12.0562 k = 0.0000 0.0000 0.6335 ( 2328 PWs) bands (ev): -54.8879 -54.8879 -54.8852 -54.8852 -29.3696 -29.3696 -29.3567 -29.3567 -28.5931 -28.5931 -28.5781 -28.5781 -28.3213 -28.3213 -28.2964 -28.2964 -8.1052 -8.1052 -7.7038 -7.7038 -7.6963 -7.6963 -7.5840 -7.5840 4.4638 4.4638 4.5652 4.5652 5.0277 5.0277 5.0421 5.0421 5.0854 5.0854 5.5640 5.5640 5.8782 5.8782 6.4035 6.4035 6.4214 6.4214 7.5412 7.5412 7.5445 7.5445 7.7767 7.7767 11.0671 11.0671 11.3399 11.3399 11.8409 11.8409 11.9434 11.9434 11.9460 11.9460 12.0183 12.0183 k = 0.0000 0.0000 0.6479 ( 2332 PWs) bands (ev): -54.8873 -54.8873 -54.8847 -54.8847 -29.3719 -29.3719 -29.3601 -29.3601 -28.5944 -28.5944 -28.5805 -28.5805 -28.3194 -28.3194 -28.2965 -28.2965 -8.0705 -8.0705 -7.7090 -7.7090 -7.7021 -7.7021 -7.5899 -7.5899 4.4682 4.4682 4.5650 4.5650 5.0510 5.0510 5.0657 5.0657 5.0920 5.0920 5.5281 5.5281 5.9518 5.9518 6.3457 6.3457 6.3631 6.3631 7.5491 7.5491 7.5521 7.5521 7.6991 7.6991 11.1010 11.1010 11.3748 11.3748 11.8516 11.8516 11.9499 11.9499 11.9600 11.9600 11.9861 11.9861 k = 0.0000 0.0000 0.6623 ( 2340 PWs) bands (ev): -54.8867 -54.8867 -54.8843 -54.8843 -29.3741 -29.3741 -29.3634 -29.3634 -28.5956 -28.5956 -28.5829 -28.5829 -28.3175 -28.3175 -28.2967 -28.2967 -8.0365 -8.0365 -7.7138 -7.7138 -7.7075 -7.7075 -7.5973 -7.5973 4.4698 4.4698 4.5623 4.5623 5.0751 5.0751 5.0902 5.0902 5.1032 5.1032 5.4958 5.4958 6.0264 6.0264 6.2898 6.2898 6.3066 6.3066 7.5562 7.5562 7.5588 7.5588 7.6209 7.6209 11.1358 11.1358 11.4100 11.4100 11.8584 11.8584 11.9287 11.9287 11.9729 11.9729 11.9804 11.9804 k = 0.0000 0.0000 0.6767 ( 2340 PWs) bands (ev): -54.8861 -54.8861 -54.8840 -54.8840 -29.3760 -29.3760 -29.3664 -29.3664 -28.5965 -28.5965 -28.5850 -28.5850 -28.3158 -28.3158 -28.2969 -28.2969 -8.0033 -8.0033 -7.7182 -7.7182 -7.7124 -7.7124 -7.6061 -7.6061 4.4695 4.4695 4.5574 4.5574 5.0994 5.0994 5.1153 5.1153 5.1183 5.1183 5.4667 5.4667 6.1018 6.1018 6.2362 6.2362 6.2522 6.2522 7.5400 7.5400 7.5626 7.5626 7.5665 7.5665 11.1715 11.1715 11.4454 11.4454 11.8597 11.8597 11.8939 11.8939 11.9845 11.9845 11.9887 11.9887 k = 0.0000 0.0000 0.6911 ( 2332 PWs) bands (ev): -54.8856 -54.8856 -54.8836 -54.8836 -29.3777 -29.3777 -29.3692 -29.3692 -28.5973 -28.5973 -28.5870 -28.5870 -28.3141 -28.3141 -28.2973 -28.2973 -7.9710 -7.9710 -7.7221 -7.7221 -7.7169 -7.7169 -7.6163 -7.6163 4.4681 4.4681 4.5507 4.5507 5.1229 5.1229 5.1369 5.1369 5.1406 5.1406 5.4404 5.4404 6.1756 6.1756 6.1878 6.1878 6.2005 6.2005 7.4611 7.4611 7.5683 7.5683 7.5710 7.5710 11.2081 11.2081 11.4810 11.4810 11.8430 11.8431 11.8710 11.8710 11.9949 11.9949 11.9979 11.9979 k = 0.0000 0.0000 0.7055 ( 2332 PWs) bands (ev): -54.8851 -54.8851 -54.8834 -54.8834 -29.3791 -29.3791 -29.3717 -29.3717 -28.5979 -28.5979 -28.5888 -28.5888 -28.3124 -28.3124 -28.2977 -28.2977 -7.9396 -7.9396 -7.7256 -7.7256 -7.7209 -7.7209 -7.6280 -7.6280 4.4664 4.4664 4.5425 4.5425 5.1448 5.1448 5.1587 5.1587 5.1657 5.1657 5.4166 5.4166 6.1369 6.1369 6.1517 6.1517 6.2557 6.2557 7.3808 7.3808 7.5732 7.5732 7.5755 7.5755 11.2453 11.2453 11.5164 11.5164 11.8063 11.8063 11.8638 11.8638 12.0040 12.0040 12.0064 12.0064 k = 0.0000 0.0000 0.7199 ( 2324 PWs) bands (ev): -54.8846 -54.8846 -54.8832 -54.8832 -29.3804 -29.3804 -29.3740 -29.3740 -28.5984 -28.5984 -28.5905 -28.5905 -28.3108 -28.3108 -28.2982 -28.2982 -7.9093 -7.9093 -7.7286 -7.7286 -7.7245 -7.7245 -7.6411 -7.6411 4.4650 4.4650 4.5334 4.5334 5.1655 5.1655 5.1820 5.1820 5.1900 5.1900 5.3949 5.3949 6.0930 6.0930 6.1065 6.1065 6.3335 6.3335 7.3001 7.3001 7.5775 7.5775 7.5795 7.5795 11.2832 11.2832 11.5515 11.5515 11.7664 11.7664 11.8558 11.8558 12.0120 12.0120 12.0139 12.0139 k = 0.0000 0.0000 0.7343 ( 2324 PWs) bands (ev): -54.8843 -54.8843 -54.8830 -54.8830 -29.3813 -29.3813 -29.3761 -29.3761 -28.5986 -28.5986 -28.5921 -28.5921 -28.3093 -28.3093 -28.2988 -28.2988 -7.8800 -7.8800 -7.7312 -7.7312 -7.7275 -7.7275 -7.6557 -7.6557 4.4643 4.4643 4.5236 4.5236 5.1858 5.1858 5.2051 5.2051 5.2128 5.2128 5.3747 5.3747 6.0535 6.0535 6.0655 6.0655 6.4121 6.4121 7.2191 7.2191 7.5811 7.5811 7.5827 7.5827 11.3217 11.3217 11.5862 11.5862 11.7257 11.7257 11.8447 11.8447 12.0187 12.0187 12.0203 12.0203 k = 0.0000 0.0000 0.7487 ( 2316 PWs) bands (ev): -54.8839 -54.8839 -54.8829 -54.8829 -29.3821 -29.3821 -29.3778 -29.3778 -28.5987 -28.5987 -28.5935 -28.5935 -28.3079 -28.3079 -28.2994 -28.2994 -7.8519 -7.8519 -7.7333 -7.7333 -7.7300 -7.7300 -7.6717 -7.6717 4.4646 4.4646 4.5137 4.5137 5.2057 5.2057 5.2267 5.2267 5.2333 5.2333 5.3556 5.3556 6.0193 6.0193 6.0296 6.0296 6.4912 6.4912 7.1378 7.1378 7.5840 7.5840 7.5853 7.5853 11.3608 11.3608 11.6201 11.6201 11.6848 11.6848 11.8303 11.8303 12.0243 12.0243 12.0255 12.0255 k = 0.0000 0.0000 0.7631 ( 2316 PWs) bands (ev): -54.8836 -54.8836 -54.8828 -54.8828 -29.3825 -29.3825 -29.3793 -29.3793 -28.5987 -28.5987 -28.5947 -28.5947 -28.3066 -28.3066 -28.3002 -28.3002 -7.8250 -7.8250 -7.7350 -7.7350 -7.7321 -7.7321 -7.6891 -7.6891 4.4662 4.4662 4.5040 4.5040 5.2252 5.2252 5.2455 5.2455 5.2504 5.2504 5.3373 5.3373 5.9915 5.9915 5.9997 5.9997 6.5710 6.5710 7.0565 7.0565 7.5863 7.5863 7.5873 7.5873 11.4003 11.4003 11.6438 11.6438 11.6530 11.6530 11.8127 11.8127 12.0286 12.0286 12.0295 12.0295 k = 0.0000 0.0000 0.7775 ( 2316 PWs) bands (ev): -54.8834 -54.8834 -54.8828 -54.8828 -29.3827 -29.3827 -29.3805 -29.3805 -28.5984 -28.5984 -28.5957 -28.5957 -28.3053 -28.3053 -28.3010 -28.3010 -7.7993 -7.7993 -7.7365 -7.7365 -7.7335 -7.7335 -7.7076 -7.7076 4.4693 4.4693 4.4949 4.4949 5.2440 5.2440 5.2608 5.2608 5.2631 5.2631 5.3195 5.3195 5.9711 5.9711 5.9768 5.9768 6.6511 6.6511 6.9751 6.9751 7.5880 7.5880 7.5887 7.5887 11.4402 11.4402 11.6028 11.6028 11.6846 11.6846 11.7921 11.7921 12.0317 12.0317 12.0324 12.0324 k = 0.0000 0.0000 0.7919 ( 2316 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3826 -29.3826 -29.3815 -29.3815 -28.5980 -28.5980 -28.5966 -28.5966 -28.3041 -28.3041 -28.3020 -28.3020 -7.7752 -7.7752 -7.7392 -7.7392 -7.7342 -7.7342 -7.7257 -7.7257 4.4737 4.4737 4.4867 4.4867 5.2609 5.2609 5.2703 5.2703 5.2726 5.2726 5.3021 5.3021 5.9591 5.9591 5.9620 5.9620 6.7317 6.7317 6.8938 6.8938 7.5891 7.5891 7.5894 7.5894 11.4805 11.4805 11.5618 11.5618 11.7147 11.7147 11.7687 11.7687 12.0337 12.0337 12.0340 12.0340 k = 0.0000 0.0000 0.8063 ( 2324 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3824 -29.3824 -29.3820 -29.3820 -28.5976 -28.5976 -28.5972 -28.5972 -28.3032 -28.3032 -28.3028 -28.3028 -7.7532 -7.7532 -7.7531 -7.7531 -7.7336 -7.7336 -7.7336 -7.7336 4.4795 4.4795 4.4796 4.4796 5.2705 5.2705 5.2706 5.2706 5.2855 5.2855 5.2855 5.2855 5.9560 5.9560 5.9560 5.9560 6.8126 6.8126 6.8127 6.8127 7.5896 7.5896 7.5896 7.5896 11.5209 11.5209 11.5212 11.5212 11.7426 11.7426 11.7429 11.7429 12.0343 12.0343 12.0346 12.0346 k = 0.0000 0.0000 0.8063 ( 2324 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3824 -29.3824 -29.3820 -29.3820 -28.5976 -28.5976 -28.5972 -28.5972 -28.3032 -28.3032 -28.3028 -28.3028 -7.7532 -7.7532 -7.7531 -7.7531 -7.7336 -7.7336 -7.7336 -7.7336 4.4795 4.4795 4.4796 4.4796 5.2705 5.2705 5.2706 5.2706 5.2855 5.2855 5.2855 5.2855 5.9560 5.9560 5.9560 5.9560 6.8126 6.8126 6.8127 6.8127 7.5896 7.5896 7.5896 7.5896 11.5209 11.5209 11.5212 11.5212 11.7426 11.7426 11.7429 11.7429 12.0343 12.0343 12.0346 12.0346 k = 0.0000 0.0143 0.8063 ( 2324 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3826 -29.3826 -29.3817 -29.3817 -28.5981 -28.5981 -28.5967 -28.5967 -28.3033 -28.3033 -28.3027 -28.3027 -7.7618 -7.7618 -7.7556 -7.7556 -7.7315 -7.7315 -7.7246 -7.7246 4.4790 4.4790 4.4794 4.4794 5.2303 5.2303 5.2372 5.2372 5.3174 5.3174 5.3249 5.3249 5.9561 5.9561 5.9584 5.9584 6.8144 6.8144 6.8151 6.8151 7.5887 7.5887 7.5888 7.5888 11.5172 11.5172 11.5197 11.5197 11.7420 11.7420 11.7434 11.7434 12.0338 12.0338 12.0377 12.0377 k = 0.0000 0.0286 0.8063 ( 2320 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3831 -29.3831 -29.3813 -29.3813 -28.5988 -28.5988 -28.5960 -28.5960 -28.3034 -28.3034 -28.3025 -28.3025 -7.7729 -7.7729 -7.7660 -7.7660 -7.7213 -7.7213 -7.7129 -7.7129 4.4775 4.4775 4.4784 4.4784 5.1862 5.1862 5.1930 5.1930 5.3578 5.3578 5.3656 5.3656 5.9587 5.9587 5.9633 5.9633 6.8204 6.8204 6.8219 6.8219 7.5862 7.5862 7.5865 7.5865 11.5082 11.5082 11.5131 11.5131 11.7413 11.7413 11.7439 11.7439 12.0358 12.0358 12.0434 12.0434 k = 0.0000 0.0429 0.8063 ( 2316 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3835 -29.3835 -29.3809 -29.3809 -28.5995 -28.5995 -28.5953 -28.5953 -28.3036 -28.3036 -28.3023 -28.3023 -7.7844 -7.7844 -7.7776 -7.7776 -7.7098 -7.7098 -7.7008 -7.7008 4.4752 4.4752 4.4765 4.4765 5.1420 5.1420 5.1485 5.1485 5.3960 5.3960 5.4040 5.4040 5.9641 5.9641 5.9708 5.9708 6.8306 6.8306 6.8329 6.8329 7.5822 7.5822 7.5827 7.5827 11.4944 11.4944 11.5014 11.5014 11.7406 11.7406 11.7444 11.7444 12.0403 12.0403 12.0513 12.0513 k = 0.0000 0.0571 0.8063 ( 2312 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3839 -29.3839 -29.3805 -29.3805 -28.6002 -28.6002 -28.5946 -28.5946 -28.3038 -28.3038 -28.3021 -28.3021 -7.7960 -7.7960 -7.7894 -7.7894 -7.6980 -7.6980 -7.6885 -7.6885 4.4719 4.4719 4.4735 4.4735 5.0982 5.0982 5.1045 5.1045 5.4314 5.4314 5.4395 5.4395 5.9722 5.9722 5.9811 5.9811 6.8450 6.8450 6.8481 6.8481 7.5766 7.5766 7.5773 7.5773 11.4761 11.4761 11.4851 11.4851 11.7398 11.7398 11.7446 11.7446 12.0469 12.0469 12.0610 12.0610 k = 0.0000 0.0714 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3844 -29.3844 -29.3801 -29.3801 -28.6008 -28.6008 -28.5940 -28.5940 -28.3040 -28.3040 -28.3019 -28.3019 -7.8075 -7.8075 -7.8012 -7.8012 -7.6861 -7.6861 -7.6762 -7.6762 4.4673 4.4673 4.4693 4.4693 5.0555 5.0555 5.0616 5.0616 5.4635 5.4635 5.4715 5.4715 5.9833 5.9833 5.9941 5.9941 6.8635 6.8635 6.8673 6.8673 7.5696 7.5696 7.5704 7.5704 11.4538 11.4538 11.4644 11.4644 11.7391 11.7391 11.7447 11.7447 12.0555 12.0555 12.0721 12.0721 k = 0.0000 0.0857 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3848 -29.3848 -29.3797 -29.3797 -28.6015 -28.6015 -28.5933 -28.5933 -28.3042 -28.3042 -28.3017 -28.3017 -7.8189 -7.8189 -7.8130 -7.8130 -7.6742 -7.6742 -7.6639 -7.6639 4.4612 4.4612 4.4636 4.4636 5.0144 5.0144 5.0204 5.0204 5.4918 5.4918 5.4996 5.4996 5.9975 5.9975 6.0100 6.0100 6.8860 6.8860 6.8906 6.8906 7.5611 7.5611 7.5621 7.5621 11.4279 11.4279 11.4398 11.4398 11.7383 11.7383 11.7447 11.7447 12.0655 12.0655 12.0842 12.0842 k = 0.0000 0.1000 0.8063 ( 2308 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3852 -29.3852 -29.3793 -29.3793 -28.6022 -28.6022 -28.5926 -28.5926 -28.3044 -28.3044 -28.3015 -28.3015 -7.8302 -7.8302 -7.8245 -7.8245 -7.6624 -7.6624 -7.6517 -7.6517 4.4534 4.4534 4.4561 4.4561 4.9755 4.9755 4.9814 4.9814 5.5163 5.5163 5.5236 5.5236 6.0147 6.0147 6.0286 6.0286 6.9124 6.9124 6.9178 6.9178 7.5513 7.5513 7.5524 7.5524 11.3987 11.3987 11.4118 11.4118 11.7375 11.7375 11.7446 11.7446 12.0766 12.0766 12.0971 12.0971 k = 0.0000 0.1143 0.8063 ( 2308 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3856 -29.3856 -29.3789 -29.3789 -28.6028 -28.6028 -28.5920 -28.5920 -28.3046 -28.3046 -28.3013 -28.3013 -7.8412 -7.8412 -7.8359 -7.8359 -7.6506 -7.6506 -7.6396 -7.6396 4.4435 4.4435 4.4465 4.4465 4.9395 4.9395 4.9452 4.9452 5.5370 5.5370 5.5436 5.5436 6.0347 6.0347 6.0498 6.0498 6.9425 6.9425 6.9486 6.9486 7.5403 7.5403 7.5416 7.5416 11.3667 11.3667 11.3806 11.3806 11.7368 11.7368 11.7444 11.7444 12.0885 12.0885 12.1104 12.1104 k = 0.0000 0.1286 0.8063 ( 2308 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3861 -29.3861 -29.3785 -29.3785 -28.6034 -28.6034 -28.5913 -28.5913 -28.3048 -28.3048 -28.3011 -28.3011 -7.8521 -7.8521 -7.8471 -7.8471 -7.6390 -7.6390 -7.6277 -7.6277 4.4312 4.4312 4.4345 4.4345 4.9067 4.9067 4.9123 4.9123 5.5541 5.5541 5.5596 5.5596 6.0573 6.0573 6.0732 6.0732 6.9760 6.9760 6.9829 6.9829 7.5283 7.5283 7.5297 7.5297 11.3322 11.3322 11.3467 11.3467 11.7359 11.7359 11.7441 11.7441 12.1010 12.1010 12.1240 12.1240 k = 0.0000 0.1429 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3865 -29.3865 -29.3782 -29.3782 -28.6041 -28.6041 -28.5907 -28.5907 -28.3050 -28.3050 -28.3009 -28.3009 -7.8627 -7.8627 -7.8580 -7.8580 -7.6276 -7.6276 -7.6159 -7.6159 4.4163 4.4163 4.4198 4.4198 4.8776 4.8776 4.8831 4.8831 5.5679 5.5679 5.5721 5.5721 6.0818 6.0818 6.0984 6.0984 7.0126 7.0126 7.0202 7.0202 7.5154 7.5154 7.5169 7.5169 11.2953 11.2953 11.3103 11.3103 11.7351 11.7351 11.7438 11.7438 12.1137 12.1137 12.1376 12.1376 k = 0.0000 0.1571 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3869 -29.3869 -29.3778 -29.3778 -28.6047 -28.6047 -28.5901 -28.5901 -28.3052 -28.3052 -28.3007 -28.3007 -7.8730 -7.8730 -7.8687 -7.8687 -7.6163 -7.6163 -7.6044 -7.6044 4.3986 4.3986 4.4023 4.4023 4.8525 4.8525 4.8579 4.8579 5.5788 5.5788 5.5816 5.5816 6.1080 6.1080 6.1249 6.1249 7.0519 7.0519 7.0602 7.0602 7.5020 7.5020 7.5037 7.5037 11.2565 11.2565 11.2718 11.2718 11.7342 11.7342 11.7434 11.7434 12.1265 12.1265 12.1512 12.1512 k = 0.0000 0.1714 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3873 -29.3873 -29.3775 -29.3775 -28.6053 -28.6053 -28.5895 -28.5895 -28.3053 -28.3053 -28.3005 -28.3005 -7.8831 -7.8831 -7.8791 -7.8791 -7.6053 -7.6053 -7.5930 -7.5930 4.3781 4.3781 4.3821 4.3821 4.8314 4.8314 4.8368 4.8368 5.5872 5.5872 5.5885 5.5885 6.1352 6.1352 6.1524 6.1524 7.0932 7.0932 7.1022 7.1022 7.4885 7.4885 7.4903 7.4903 11.2158 11.2158 11.2313 11.2313 11.7333 11.7333 11.7429 11.7429 12.1394 12.1394 12.1645 12.1645 k = 0.0000 0.1857 0.8063 ( 2288 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3877 -29.3877 -29.3771 -29.3771 -28.6059 -28.6059 -28.5889 -28.5889 -28.3055 -28.3055 -28.3003 -28.3003 -7.8928 -7.8928 -7.8892 -7.8892 -7.5945 -7.5945 -7.5819 -7.5819 4.3552 4.3552 4.3593 4.3593 4.8143 4.8143 4.8196 4.8196 5.5932 5.5932 5.5936 5.5936 6.1631 6.1631 6.1804 6.1804 7.1355 7.1355 7.1452 7.1452 7.4756 7.4756 7.4777 7.4777 11.1736 11.1736 11.1892 11.1892 11.7323 11.7323 11.7424 11.7424 12.1520 12.1520 12.1775 12.1775 k = 0.0000 0.2000 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3881 -29.3881 -29.3768 -29.3768 -28.6064 -28.6064 -28.5883 -28.5883 -28.3056 -28.3056 -28.3001 -28.3001 -7.9023 -7.9023 -7.8989 -7.8989 -7.5840 -7.5840 -7.5711 -7.5711 4.3301 4.3301 4.3343 4.3343 4.8009 4.8009 4.8062 4.8062 5.5962 5.5962 5.5984 5.5984 6.1913 6.1913 6.2086 6.2086 7.1772 7.1772 7.1876 7.1876 7.4649 7.4649 7.4671 7.4671 11.1300 11.1300 11.1456 11.1456 11.7314 11.7314 11.7419 11.7419 12.1644 12.1644 12.1902 12.1902 k = 0.0000 0.2143 0.8063 ( 2288 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3885 -29.3885 -29.3765 -29.3765 -28.6070 -28.6070 -28.5877 -28.5877 -28.3058 -28.3058 -28.2999 -28.2999 -7.9114 -7.9114 -7.9083 -7.9083 -7.5738 -7.5738 -7.5606 -7.5606 4.3033 4.3033 4.3076 4.3076 4.7908 4.7908 4.7959 4.7959 5.5979 5.5979 5.6018 5.6018 6.2195 6.2195 6.2367 6.2367 7.2158 7.2158 7.2265 7.2265 7.4588 7.4588 7.4609 7.4609 11.0853 11.0853 11.1008 11.1008 11.7304 11.7304 11.7413 11.7413 12.1765 12.1765 12.2025 12.2025 k = 0.0000 0.2286 0.8063 ( 2288 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3888 -29.3888 -29.3762 -29.3762 -28.6075 -28.6075 -28.5872 -28.5872 -28.3059 -28.3059 -28.2998 -28.2998 -7.9202 -7.9202 -7.9174 -7.9174 -7.5639 -7.5639 -7.5505 -7.5505 4.2753 4.2753 4.2797 4.2797 4.7835 4.7835 4.7885 4.7885 5.5986 5.5986 5.6043 5.6043 6.2476 6.2476 6.2647 6.2647 7.2471 7.2471 7.2575 7.2575 7.4617 7.4617 7.4630 7.4630 11.0395 11.0395 11.0550 11.0550 11.7293 11.7293 11.7407 11.7407 12.1882 12.1882 12.2144 12.2144 k = 0.0000 0.2429 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3892 -29.3892 -29.3760 -29.3760 -28.6080 -28.6080 -28.5867 -28.5867 -28.3061 -28.3061 -28.2996 -28.2996 -7.9286 -7.9286 -7.9261 -7.9261 -7.5544 -7.5544 -7.5406 -7.5406 4.2468 4.2468 4.2511 4.2511 4.7785 4.7785 4.7834 4.7834 5.5985 5.5985 5.6061 5.6061 6.2753 6.2753 6.2922 6.2922 7.2660 7.2660 7.2753 7.2753 7.4781 7.4781 7.4784 7.4784 10.9931 10.9931 11.0084 11.0084 11.7283 11.7283 11.7400 11.7400 12.1995 12.1995 12.2257 12.2257 k = 0.0000 0.2571 0.8063 ( 2290 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3895 -29.3895 -29.3757 -29.3757 -28.6085 -28.6085 -28.5862 -28.5862 -28.3062 -28.3062 -28.2994 -28.2994 -7.9367 -7.9367 -7.9344 -7.9344 -7.5452 -7.5452 -7.5312 -7.5312 4.2180 4.2180 4.2224 4.2224 4.7755 4.7755 4.7802 4.7802 5.5979 5.5979 5.6073 5.6073 6.3026 6.3026 6.3193 6.3193 7.2710 7.2710 7.2785 7.2785 7.5076 7.5076 7.5101 7.5101 10.9461 10.9461 10.9613 10.9613 11.7273 11.7273 11.7394 11.7394 12.2103 12.2103 12.2365 12.2365 k = 0.0000 0.2714 0.8063 ( 2290 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3899 -29.3899 -29.3754 -29.3754 -28.6089 -28.6089 -28.5857 -28.5857 -28.3063 -28.3063 -28.2993 -28.2993 -7.9444 -7.9444 -7.9423 -7.9423 -7.5364 -7.5364 -7.5222 -7.5222 4.1894 4.1894 4.1938 4.1938 4.7740 4.7740 4.7786 4.7786 5.5968 5.5968 5.6080 5.6080 6.3294 6.3294 6.3458 6.3458 7.2649 7.2649 7.2710 7.2710 7.5483 7.5483 7.5526 7.5526 10.8988 10.8988 10.9139 10.9139 11.7262 11.7262 11.7387 11.7387 12.2207 12.2207 12.2468 12.2468 k = 0.0000 0.2857 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3902 -29.3902 -29.3752 -29.3752 -28.6094 -28.6094 -28.5853 -28.5853 -28.3065 -28.3065 -28.2991 -28.2991 -7.9516 -7.9516 -7.9498 -7.9498 -7.5280 -7.5280 -7.5136 -7.5136 4.1615 4.1615 4.1659 4.1659 4.7737 4.7737 4.7781 4.7781 5.5955 5.5955 5.6086 5.6086 6.3556 6.3556 6.3718 6.3718 7.2520 7.2520 7.2571 7.2571 7.5956 7.5956 7.6013 7.6013 10.8514 10.8514 10.8664 10.8664 11.7252 11.7252 11.7380 11.7380 12.2305 12.2305 12.2566 12.2566 k = 0.0000 0.3000 0.8063 ( 2290 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3905 -29.3905 -29.3750 -29.3750 -28.6098 -28.6098 -28.5849 -28.5849 -28.3066 -28.3066 -28.2990 -28.2990 -7.9585 -7.9585 -7.9569 -7.9569 -7.5201 -7.5201 -7.5054 -7.5054 4.1343 4.1343 4.1388 4.1388 4.7744 4.7744 4.7786 4.7786 5.5941 5.5941 5.6089 5.6089 6.3812 6.3812 6.3972 6.3972 7.2350 7.2350 7.2395 7.2395 7.6466 7.6466 7.6532 7.6532 10.8043 10.8043 10.8191 10.8191 11.7241 11.7241 11.7373 11.7373 12.2397 12.2397 12.2657 12.2657 k = 0.0000 0.3143 0.8063 ( 2288 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3907 -29.3907 -29.3748 -29.3748 -28.6102 -28.6102 -28.5845 -28.5845 -28.3067 -28.3067 -28.2988 -28.2988 -7.9649 -7.9649 -7.9636 -7.9636 -7.5126 -7.5126 -7.4977 -7.4977 4.1084 4.1084 4.1128 4.1128 4.7758 4.7758 4.7798 4.7798 5.5927 5.5927 5.6092 5.6092 6.4062 6.4062 6.4219 6.4219 7.2157 7.2157 7.2199 7.2199 7.6990 7.6990 7.7064 7.7064 10.7578 10.7578 10.7724 10.7724 11.7231 11.7231 11.7367 11.7367 12.2484 12.2484 12.2743 12.2743 k = 0.0000 0.3286 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3910 -29.3910 -29.3746 -29.3746 -28.6105 -28.6105 -28.5841 -28.5841 -28.3068 -28.3068 -28.2987 -28.2987 -7.9709 -7.9709 -7.9698 -7.9698 -7.5056 -7.5056 -7.4905 -7.4905 4.0837 4.0837 4.0881 4.0881 4.7777 4.7777 4.7814 4.7814 5.5912 5.5912 5.6094 5.6094 6.4305 6.4305 6.4459 6.4459 7.1951 7.1951 7.1991 7.1991 7.7517 7.7517 7.7596 7.7596 10.7120 10.7120 10.7265 10.7265 11.7222 11.7222 11.7360 11.7360 12.2565 12.2565 12.2823 12.2823 k = 0.0000 0.3429 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3912 -29.3912 -29.3744 -29.3744 -28.6109 -28.6109 -28.5838 -28.5838 -28.3069 -28.3069 -28.2986 -28.2986 -7.9765 -7.9765 -7.9755 -7.9755 -7.4991 -7.4991 -7.4838 -7.4838 4.0605 4.0605 4.0649 4.0649 4.7799 4.7799 4.7834 4.7834 5.5898 5.5898 5.6096 5.6096 6.4540 6.4540 6.4692 6.4692 7.1738 7.1738 7.1778 7.1778 7.8037 7.8037 7.8120 7.8120 10.6675 10.6675 10.6819 10.6819 11.7212 11.7212 11.7354 11.7354 12.2640 12.2640 12.2897 12.2897 k = 0.0000 0.3571 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3915 -29.3915 -29.3742 -29.3742 -28.6112 -28.6112 -28.5834 -28.5834 -28.3069 -28.3069 -28.2985 -28.2985 -7.9816 -7.9816 -7.9808 -7.9808 -7.4931 -7.4931 -7.4777 -7.4777 4.0389 4.0389 4.0433 4.0433 4.7823 4.7823 4.7855 4.7855 5.5885 5.5885 5.6098 5.6098 6.4767 6.4767 6.4918 6.4918 7.1522 7.1522 7.1563 7.1563 7.8542 7.8542 7.8629 7.8629 10.6246 10.6246 10.6388 10.6388 11.7203 11.7203 11.7348 11.7348 12.2709 12.2709 12.2964 12.2964 k = 0.0000 0.3714 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3917 -29.3917 -29.3741 -29.3741 -28.6114 -28.6114 -28.5832 -28.5832 -28.3070 -28.3070 -28.2984 -28.2984 -7.9862 -7.9862 -7.9856 -7.9856 -7.4876 -7.4876 -7.4720 -7.4720 4.0191 4.0191 4.0235 4.0235 4.7848 4.7848 4.7877 4.7877 5.5872 5.5872 5.6101 5.6101 6.4985 6.4985 6.5134 6.5134 7.1308 7.1308 7.1350 7.1350 7.9025 7.9025 7.9115 7.9115 10.5836 10.5836 10.5977 10.5977 11.7195 11.7195 11.7342 11.7342 12.2771 12.2771 12.3026 12.3026 k = 0.0000 0.3857 0.8063 ( 2302 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3919 -29.3919 -29.3740 -29.3740 -28.6117 -28.6117 -28.5829 -28.5829 -28.3071 -28.3071 -28.2983 -28.2983 -7.9904 -7.9904 -7.9899 -7.9899 -7.4826 -7.4826 -7.4669 -7.4669 4.0012 4.0012 4.0055 4.0055 4.7873 4.7873 4.7899 4.7899 5.5862 5.5862 5.6104 5.6104 6.5193 6.5193 6.5341 6.5341 7.1099 7.1099 7.1143 7.1143 7.9480 7.9480 7.9572 7.9572 10.5452 10.5452 10.5591 10.5591 11.7187 11.7187 11.7337 11.7337 12.2828 12.2828 12.3081 12.3081 k = 0.0000 0.4000 0.8063 ( 2298 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3920 -29.3920 -29.3738 -29.3738 -28.6119 -28.6119 -28.5827 -28.5827 -28.3071 -28.3071 -28.2982 -28.2982 -7.9941 -7.9941 -7.9937 -7.9937 -7.4782 -7.4782 -7.4624 -7.4624 3.9852 3.9852 3.9895 3.9895 4.7896 4.7896 4.7920 4.7920 5.5852 5.5852 5.6107 5.6107 6.5388 6.5388 6.5535 6.5535 7.0898 7.0898 7.0944 7.0944 7.9900 7.9900 7.9994 7.9994 10.5096 10.5096 10.5234 10.5234 11.7180 11.7180 11.7332 11.7332 12.2877 12.2877 12.3129 12.3129 k = 0.0000 0.4143 0.8063 ( 2298 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3922 -29.3922 -29.3737 -29.3737 -28.6121 -28.6121 -28.5825 -28.5825 -28.3072 -28.3072 -28.2982 -28.2982 -7.9973 -7.9973 -7.9970 -7.9970 -7.4744 -7.4744 -7.4585 -7.4585 3.9712 3.9712 3.9755 3.9755 4.7918 4.7918 4.7940 4.7940 5.5844 5.5844 5.6110 5.6110 6.5569 6.5569 6.5716 6.5716 7.0709 7.0709 7.0758 7.0758 8.0280 8.0280 8.0375 8.0375 10.4774 10.4774 10.4911 10.4911 11.7174 11.7174 11.7327 11.7327 12.2921 12.2921 12.3171 12.3171 k = 0.0000 0.4286 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3923 -29.3923 -29.3737 -29.3737 -28.6123 -28.6123 -28.5823 -28.5823 -28.3072 -28.3072 -28.2981 -28.2981 -8.0000 -8.0000 -7.9998 -7.9998 -7.4711 -7.4711 -7.4551 -7.4551 3.9593 3.9593 3.9636 3.9636 4.7938 4.7938 4.7957 4.7957 5.5838 5.5838 5.6113 5.6113 6.5733 6.5733 6.5880 6.5880 7.0536 7.0536 7.0589 7.0589 8.0614 8.0614 8.0710 8.0710 10.4491 10.4491 10.4628 10.4628 11.7169 11.7169 11.7324 11.7324 12.2957 12.2957 12.3207 12.3207 k = 0.0000 0.4429 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3924 -29.3924 -29.3736 -29.3736 -28.6124 -28.6124 -28.5822 -28.5822 -28.3073 -28.3073 -28.2981 -28.2981 -8.0022 -8.0022 -8.0021 -8.0021 -7.4684 -7.4684 -7.4524 -7.4524 3.9494 3.9494 3.9538 3.9538 4.7954 4.7954 4.7972 4.7972 5.5833 5.5833 5.6115 5.6115 6.5875 6.5875 6.6024 6.6024 7.0384 7.0384 7.0440 7.0440 8.0895 8.0895 8.0993 8.0993 10.4252 10.4252 10.4388 10.4388 11.7164 11.7164 11.7320 11.7320 12.2988 12.2988 12.3237 12.3237 k = 0.0000 0.4571 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3925 -29.3925 -29.3735 -29.3735 -28.6125 -28.6125 -28.5820 -28.5820 -28.3073 -28.3073 -28.2980 -28.2980 -8.0040 -8.0040 -8.0039 -8.0039 -7.4663 -7.4663 -7.4502 -7.4502 3.9418 3.9418 3.9461 3.9461 4.7967 4.7967 4.7984 4.7984 5.5829 5.5829 5.6118 5.6118 6.5992 6.5992 6.6142 6.6142 7.0258 7.0258 7.0317 7.0317 8.1120 8.1120 8.1218 8.1218 10.4061 10.4061 10.4196 10.4196 11.7161 11.7161 11.7318 11.7318 12.3011 12.3011 12.3259 12.3259 k = 0.0000 0.4714 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3925 -29.3925 -29.3735 -29.3735 -28.6126 -28.6126 -28.5820 -28.5820 -28.3073 -28.3073 -28.2980 -28.2980 -8.0052 -8.0052 -8.0052 -8.0052 -7.4648 -7.4648 -7.4487 -7.4487 3.9363 3.9363 3.9406 3.9406 4.7977 4.7977 4.7992 4.7992 5.5826 5.5826 5.6120 5.6120 6.6080 6.6080 6.6231 6.6231 7.0164 7.0164 7.0225 7.0225 8.1284 8.1284 8.1383 8.1383 10.3921 10.3921 10.4056 10.4056 11.7158 11.7158 11.7316 11.7316 12.3028 12.3028 12.3276 12.3276 k = 0.0000 0.4857 0.8063 ( 2284 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3926 -29.3926 -29.3735 -29.3735 -28.6126 -28.6126 -28.5819 -28.5819 -28.3073 -28.3073 -28.2980 -28.2980 -8.0060 -8.0060 -8.0060 -8.0060 -7.4639 -7.4639 -7.4477 -7.4477 3.9330 3.9330 3.9373 3.9373 4.7983 4.7983 4.7998 4.7998 5.5824 5.5824 5.6121 5.6121 6.6135 6.6135 6.6287 6.6287 7.0105 7.0105 7.0168 7.0168 8.1384 8.1384 8.1483 8.1483 10.3836 10.3836 10.3971 10.3971 11.7157 11.7157 11.7315 11.7315 12.3038 12.3038 12.3286 12.3286 k = 0.0000 0.5000 0.8063 ( 2272 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3926 -29.3926 -29.3735 -29.3735 -28.6126 -28.6126 -28.5819 -28.5819 -28.3073 -28.3073 -28.2980 -28.2980 -8.0062 -8.0062 -8.0062 -8.0062 -7.4636 -7.4636 -7.4474 -7.4474 3.9319 3.9319 3.9362 3.9362 4.7985 4.7985 4.7999 4.7999 5.5824 5.5824 5.6121 5.6121 6.6154 6.6154 6.6306 6.6306 7.0084 7.0084 7.0148 7.0148 8.1417 8.1417 8.1516 8.1516 10.3808 10.3808 10.3942 10.3942 11.7156 11.7156 11.7315 11.7315 12.3042 12.3042 12.3290 12.3290 k = 0.0000 0.5000 0.8063 ( 2272 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3926 -29.3926 -29.3735 -29.3735 -28.6126 -28.6126 -28.5819 -28.5819 -28.3073 -28.3073 -28.2980 -28.2980 -8.0062 -8.0062 -8.0062 -8.0062 -7.4636 -7.4636 -7.4474 -7.4474 3.9319 3.9319 3.9362 3.9362 4.7985 4.7985 4.7999 4.7999 5.5824 5.5824 5.6121 5.6121 6.6154 6.6154 6.6306 6.6306 7.0084 7.0084 7.0148 7.0148 8.1417 8.1417 8.1516 8.1516 10.3808 10.3808 10.3942 10.3942 11.7156 11.7156 11.7315 11.7315 12.3042 12.3042 12.3290 12.3290 k = 0.0143 0.5000 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3926 -29.3926 -29.3735 -29.3735 -28.6126 -28.6126 -28.5819 -28.5819 -28.3073 -28.3073 -28.2980 -28.2980 -8.0060 -8.0060 -8.0060 -8.0060 -7.4639 -7.4639 -7.4477 -7.4477 3.9320 3.9320 3.9363 3.9363 4.7983 4.7983 4.7997 4.7997 5.5814 5.5814 5.6110 5.6110 6.6118 6.6118 6.6270 6.6270 7.0129 7.0129 7.0193 7.0193 8.1421 8.1421 8.1520 8.1520 10.3817 10.3817 10.3952 10.3952 11.7157 11.7157 11.7316 11.7316 12.3033 12.3033 12.3281 12.3281 k = 0.0286 0.5000 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3925 -29.3925 -29.3735 -29.3735 -28.6126 -28.6126 -28.5820 -28.5820 -28.3073 -28.3073 -28.2980 -28.2980 -8.0053 -8.0053 -8.0052 -8.0052 -7.4646 -7.4646 -7.4484 -7.4484 3.9326 3.9326 3.9369 3.9369 4.7977 4.7977 4.7990 4.7990 5.5785 5.5785 5.6077 5.6077 6.6017 6.6017 6.6169 6.6169 7.0257 7.0257 7.0323 7.0323 8.1433 8.1433 8.1532 8.1532 10.3847 10.3847 10.3982 10.3982 11.7159 11.7159 11.7317 11.7317 12.3007 12.3007 12.3255 12.3255 k = 0.0429 0.5000 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3925 -29.3925 -29.3735 -29.3735 -28.6125 -28.6125 -28.5820 -28.5820 -28.3073 -28.3073 -28.2980 -28.2980 -8.0041 -8.0041 -8.0040 -8.0040 -7.4658 -7.4658 -7.4496 -7.4496 3.9335 3.9335 3.9379 3.9379 4.7967 4.7967 4.7978 4.7978 5.5738 5.5738 5.6024 5.6024 6.5862 6.5862 6.6014 6.6014 7.0456 7.0456 7.0525 7.0525 8.1453 8.1453 8.1552 8.1552 10.3896 10.3896 10.4031 10.4031 11.7163 11.7163 11.7320 11.7320 12.2963 12.2963 12.3212 12.3212 k = 0.0571 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3924 -29.3924 -29.3736 -29.3736 -28.6124 -28.6124 -28.5822 -28.5822 -28.3073 -28.3073 -28.2981 -28.2981 -8.0024 -8.0024 -8.0023 -8.0023 -7.4674 -7.4674 -7.4514 -7.4514 3.9349 3.9349 3.9392 3.9392 4.7953 4.7953 4.7960 4.7960 5.5674 5.5674 5.5950 5.5950 6.5666 6.5666 6.5820 6.5820 7.0712 7.0712 7.0783 7.0783 8.1481 8.1481 8.1580 8.1580 10.3964 10.3964 10.4100 10.4100 11.7168 11.7168 11.7324 11.7324 12.2902 12.2902 12.3151 12.3151 k = 0.0714 0.5000 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3923 -29.3923 -29.3737 -29.3737 -28.6123 -28.6123 -28.5823 -28.5823 -28.3073 -28.3073 -28.2981 -28.2981 -8.0003 -8.0003 -8.0001 -8.0001 -7.4695 -7.4695 -7.4536 -7.4536 3.9366 3.9366 3.9410 3.9410 4.7934 4.7934 4.7936 4.7936 5.5594 5.5594 5.5859 5.5859 6.5444 6.5444 6.5600 6.5600 7.1009 7.1009 7.1083 7.1083 8.1516 8.1516 8.1616 8.1616 10.4052 10.4052 10.4189 10.4189 11.7174 11.7174 11.7329 11.7329 12.2823 12.2823 12.3074 12.3074 k = 0.0857 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3922 -29.3922 -29.3737 -29.3737 -28.6121 -28.6121 -28.5825 -28.5825 -28.3073 -28.3073 -28.2982 -28.2982 -7.9977 -7.9977 -7.9974 -7.9974 -7.4721 -7.4721 -7.4562 -7.4562 3.9387 3.9387 3.9432 3.9432 4.7906 4.7906 4.7908 4.7908 5.5501 5.5501 5.5752 5.5752 6.5206 6.5206 6.5363 6.5363 7.1337 7.1337 7.1414 7.1414 8.1560 8.1560 8.1660 8.1660 10.4158 10.4158 10.4296 10.4296 11.7181 11.7181 11.7335 11.7335 12.2726 12.2726 12.2978 12.2978 k = 0.1000 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3920 -29.3920 -29.3739 -29.3739 -28.6120 -28.6120 -28.5827 -28.5827 -28.3072 -28.3072 -28.2983 -28.2983 -7.9947 -7.9947 -7.9943 -7.9943 -7.4751 -7.4751 -7.4594 -7.4594 3.9412 3.9412 3.9458 3.9458 4.7867 4.7867 4.7876 4.7876 5.5397 5.5397 5.5632 5.5632 6.4957 6.4957 6.5118 6.5118 7.1686 7.1686 7.1765 7.1765 8.1611 8.1611 8.1712 8.1712 10.4284 10.4284 10.4423 10.4423 11.7189 11.7189 11.7342 11.7342 12.2612 12.2612 12.2866 12.2866 k = 0.1143 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3919 -29.3919 -29.3740 -29.3740 -28.6117 -28.6117 -28.5829 -28.5829 -28.3072 -28.3072 -28.2984 -28.2984 -7.9912 -7.9912 -7.9907 -7.9907 -7.4786 -7.4786 -7.4630 -7.4630 3.9442 3.9442 3.9488 3.9488 4.7821 4.7821 4.7837 4.7837 5.5285 5.5285 5.5502 5.5502 6.4704 6.4704 6.4869 6.4869 7.2049 7.2049 7.2130 7.2130 8.1671 8.1671 8.1771 8.1771 10.4428 10.4428 10.4568 10.4568 11.7199 11.7199 11.7350 11.7350 12.2481 12.2481 12.2736 12.2736 k = 0.1286 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3917 -29.3917 -29.3741 -29.3741 -28.6115 -28.6115 -28.5832 -28.5832 -28.3071 -28.3071 -28.2985 -28.2985 -7.9872 -7.9872 -7.9867 -7.9867 -7.4825 -7.4825 -7.4670 -7.4670 3.9476 3.9476 3.9524 3.9524 4.7764 4.7764 4.7788 4.7788 5.5167 5.5167 5.5366 5.5366 6.4450 6.4450 6.4619 6.4619 7.2420 7.2420 7.2503 7.2503 8.1739 8.1739 8.1839 8.1839 10.4589 10.4589 10.4731 10.4731 11.7209 11.7209 11.7358 11.7358 12.2332 12.2332 12.2589 12.2589 k = 0.1429 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3915 -29.3915 -29.3743 -29.3743 -28.6112 -28.6112 -28.5835 -28.5835 -28.3071 -28.3071 -28.2986 -28.2986 -7.9829 -7.9829 -7.9822 -7.9822 -7.4868 -7.4868 -7.4715 -7.4715 3.9515 3.9515 3.9563 3.9563 4.7696 4.7696 4.7729 4.7729 5.5048 5.5048 5.5225 5.5225 6.4197 6.4197 6.4370 6.4370 7.2796 7.2796 7.2881 7.2881 8.1814 8.1814 8.1915 8.1915 10.4769 10.4769 10.4912 10.4912 11.7219 11.7219 11.7367 11.7367 12.2166 12.2166 12.2425 12.2425 k = 0.1571 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3913 -29.3913 -29.3744 -29.3744 -28.6110 -28.6110 -28.5838 -28.5838 -28.3070 -28.3070 -28.2988 -28.2988 -7.9781 -7.9781 -7.9773 -7.9773 -7.4915 -7.4915 -7.4765 -7.4765 3.9558 3.9558 3.9608 3.9608 4.7616 4.7616 4.7659 4.7659 5.4930 5.4930 5.5085 5.5085 6.3946 6.3946 6.4124 6.4124 7.3171 7.3171 7.3258 7.3258 8.1898 8.1898 8.1998 8.1998 10.4965 10.4965 10.5111 10.5111 11.7230 11.7230 11.7376 11.7376 12.1984 12.1984 12.2245 12.2245 k = 0.1714 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3910 -29.3910 -29.3746 -29.3746 -28.6106 -28.6106 -28.5842 -28.5842 -28.3070 -28.3070 -28.2989 -28.2989 -7.9729 -7.9729 -7.9719 -7.9719 -7.4967 -7.4967 -7.4818 -7.4818 3.9607 3.9607 3.9658 3.9658 4.7523 4.7523 4.7576 4.7576 5.4816 5.4816 5.4948 5.4948 6.3698 6.3698 6.3880 6.3880 7.3544 7.3544 7.3632 7.3632 8.1989 8.1989 8.2089 8.2089 10.5179 10.5179 10.5325 10.5325 11.7242 11.7242 11.7386 11.7386 12.1784 12.1784 12.2048 12.2048 k = 0.1857 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3908 -29.3908 -29.3748 -29.3748 -28.6103 -28.6103 -28.5846 -28.5846 -28.3069 -28.3069 -28.2991 -28.2991 -7.9674 -7.9674 -7.9662 -7.9662 -7.5022 -7.5022 -7.4875 -7.4875 3.9661 3.9661 3.9714 3.9714 4.7415 4.7415 4.7479 4.7479 5.4709 5.4709 5.4818 5.4818 6.3454 6.3454 6.3639 6.3639 7.3912 7.3912 7.4000 7.4000 8.2088 8.2088 8.2188 8.2188 10.5408 10.5408 10.5557 10.5557 11.7253 11.7253 11.7395 11.7395 12.1569 12.1569 12.1834 12.1834 k = 0.2000 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3905 -29.3905 -29.3750 -29.3750 -28.6099 -28.6099 -28.5850 -28.5850 -28.3068 -28.3068 -28.2992 -28.2992 -7.9615 -7.9615 -7.9602 -7.9602 -7.5080 -7.5080 -7.4936 -7.4936 3.9720 3.9720 3.9775 3.9775 4.7293 4.7293 4.7368 4.7368 5.4611 5.4611 5.4698 5.4698 6.3214 6.3214 6.3402 6.3402 7.4271 7.4271 7.4359 7.4359 8.2195 8.2195 8.2293 8.2293 10.5653 10.5653 10.5803 10.5803 11.7264 11.7264 11.7405 11.7405 12.1337 12.1337 12.1606 12.1606 k = 0.2143 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3902 -29.3902 -29.3752 -29.3752 -28.6095 -28.6095 -28.5854 -28.5854 -28.3068 -28.3068 -28.2994 -28.2994 -7.9552 -7.9552 -7.9538 -7.9538 -7.5142 -7.5142 -7.5000 -7.5000 3.9786 3.9786 3.9842 3.9842 4.7155 4.7155 4.7241 4.7241 5.4526 5.4526 5.4590 5.4590 6.2977 6.2977 6.3168 6.3168 7.4620 7.4620 7.4708 7.4708 8.2308 8.2308 8.2405 8.2405 10.5912 10.5912 10.6065 10.6065 11.7275 11.7275 11.7414 11.7414 12.1091 12.1091 12.1362 12.1362 k = 0.2286 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3899 -29.3899 -29.3755 -29.3755 -28.6091 -28.6091 -28.5859 -28.5859 -28.3067 -28.3067 -28.2996 -28.2996 -7.9487 -7.9487 -7.9470 -7.9470 -7.5207 -7.5207 -7.5068 -7.5068 3.9857 3.9857 3.9915 3.9915 4.7002 4.7002 4.7098 4.7098 5.4454 5.4454 5.4496 5.4496 6.2744 6.2744 6.2937 6.2937 7.4957 7.4957 7.5045 7.5045 8.2428 8.2428 8.2523 8.2523 10.6186 10.6186 10.6340 10.6340 11.7285 11.7285 11.7424 11.7424 12.0830 12.0830 12.1104 12.1104 k = 0.2429 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3896 -29.3896 -29.3757 -29.3757 -28.6087 -28.6087 -28.5864 -28.5864 -28.3066 -28.3066 -28.2998 -28.2998 -7.9418 -7.9418 -7.9400 -7.9400 -7.5274 -7.5274 -7.5139 -7.5139 3.9934 3.9934 3.9995 3.9995 4.6833 4.6833 4.6938 4.6938 5.4398 5.4398 5.4418 5.4418 6.2515 6.2515 6.2709 6.2709 7.5280 7.5280 7.5367 7.5367 8.2553 8.2553 8.2647 8.2647 10.6473 10.6473 10.6629 10.6629 11.7294 11.7294 11.7433 11.7433 12.0555 12.0555 12.0833 12.0833 k = 0.2571 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3893 -29.3893 -29.3760 -29.3760 -28.6082 -28.6082 -28.5869 -28.5869 -28.3065 -28.3065 -28.3000 -28.3000 -7.9347 -7.9347 -7.9327 -7.9327 -7.5344 -7.5344 -7.5212 -7.5212 4.0018 4.0018 4.0081 4.0081 4.6650 4.6650 4.6764 4.6764 5.4356 5.4356 5.4358 5.4358 6.2290 6.2290 6.2485 6.2485 7.5589 7.5589 7.5674 7.5674 8.2684 8.2684 8.2775 8.2775 10.6772 10.6772 10.6930 10.6930 11.7302 11.7302 11.7441 11.7441 12.0267 12.0267 12.0549 12.0549 k = 0.2714 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3889 -29.3889 -29.3763 -29.3763 -28.6077 -28.6077 -28.5874 -28.5874 -28.3064 -28.3064 -28.3002 -28.3002 -7.9273 -7.9273 -7.9252 -7.9252 -7.5417 -7.5417 -7.5288 -7.5288 4.0109 4.0109 4.0174 4.0174 4.6453 4.6453 4.6575 4.6575 5.4314 5.4314 5.4330 5.4330 6.2069 6.2069 6.2264 6.2264 7.5881 7.5881 7.5964 7.5964 8.2819 8.2819 8.2907 8.2907 10.7084 10.7084 10.7244 10.7244 11.7308 11.7308 11.7449 11.7449 11.9967 11.9967 12.0254 12.0254 k = 0.2857 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3885 -29.3885 -29.3766 -29.3766 -28.6072 -28.6072 -28.5880 -28.5880 -28.3063 -28.3063 -28.3004 -28.3004 -7.9198 -7.9198 -7.9174 -7.9174 -7.5491 -7.5491 -7.5366 -7.5366 4.0207 4.0207 4.0274 4.0274 4.6244 4.6244 4.6372 4.6372 5.4288 5.4288 5.4320 5.4320 6.1853 6.1853 6.2046 6.2046 7.6157 7.6157 7.6237 7.6237 8.2956 8.2956 8.3041 8.3041 10.7406 10.7406 10.7567 10.7567 11.7312 11.7312 11.7455 11.7455 11.9656 11.9656 11.9948 11.9948 k = 0.3000 0.5000 0.8063 ( 2304 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3882 -29.3882 -29.3769 -29.3769 -28.6067 -28.6067 -28.5886 -28.5886 -28.3061 -28.3061 -28.3006 -28.3006 -7.9121 -7.9121 -7.9095 -7.9095 -7.5567 -7.5567 -7.5446 -7.5446 4.0312 4.0312 4.0382 4.0382 4.6023 4.6023 4.6157 4.6157 5.4278 5.4278 5.4323 5.4323 6.1642 6.1642 6.1833 6.1833 7.6414 7.6414 7.6491 7.6491 8.3096 8.3096 8.3177 8.3177 10.7738 10.7738 10.7901 10.7901 11.7313 11.7313 11.7461 11.7461 11.9335 11.9335 11.9635 11.9635 k = 0.3143 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3878 -29.3878 -29.3772 -29.3772 -28.6062 -28.6062 -28.5892 -28.5892 -28.3060 -28.3060 -28.3008 -28.3008 -7.9042 -7.9042 -7.9016 -7.9016 -7.5644 -7.5644 -7.5527 -7.5527 4.0424 4.0424 4.0497 4.0497 4.5794 4.5794 4.5932 4.5932 5.4283 5.4283 5.4340 5.4340 6.1436 6.1436 6.1624 6.1624 7.6654 7.6654 7.6727 7.6727 8.3236 8.3236 8.3312 8.3312 10.8079 10.8079 10.8243 10.8243 11.7309 11.7309 11.7464 11.7464 11.9006 11.9006 11.9316 11.9316 k = 0.3286 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3874 -29.3874 -29.3776 -29.3776 -28.6056 -28.6056 -28.5898 -28.5898 -28.3059 -28.3059 -28.3010 -28.3010 -7.8963 -7.8963 -7.8935 -7.8935 -7.5721 -7.5721 -7.5609 -7.5609 4.0544 4.0544 4.0620 4.0620 4.5557 4.5557 4.5698 4.5698 5.4302 5.4302 5.4369 5.4369 6.1238 6.1238 6.1421 6.1421 7.6875 7.6875 7.6944 7.6944 8.3375 8.3375 8.3446 8.3446 10.8428 10.8428 10.8593 10.8593 11.7297 11.7297 11.7464 11.7464 11.8671 11.8671 11.8995 11.8995 k = 0.3429 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3870 -29.3870 -29.3779 -29.3779 -28.6050 -28.6050 -28.5904 -28.5904 -28.3057 -28.3057 -28.3013 -28.3013 -7.8884 -7.8884 -7.8855 -7.8855 -7.5798 -7.5798 -7.5691 -7.5691 4.0671 4.0671 4.0750 4.0750 4.5314 4.5314 4.5456 4.5456 5.4334 5.4334 5.4407 5.4407 6.1047 6.1047 6.1224 6.1224 7.7078 7.7078 7.7142 7.7142 8.3511 8.3511 8.3577 8.3577 10.8783 10.8783 10.8949 10.8949 11.7274 11.7274 11.7457 11.7457 11.8336 11.8336 11.8678 11.8678 k = 0.3571 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3866 -29.3866 -29.3783 -29.3783 -28.6044 -28.6044 -28.5910 -28.5910 -28.3056 -28.3056 -28.3015 -28.3015 -7.8806 -7.8806 -7.8775 -7.8775 -7.5874 -7.5874 -7.5773 -7.5773 4.0807 4.0807 4.0889 4.0889 4.5067 4.5067 4.5210 4.5210 5.4375 5.4375 5.4453 5.4453 6.0864 6.0864 6.1034 6.1034 7.7262 7.7262 7.7321 7.7321 8.3642 8.3642 8.3704 8.3704 10.9144 10.9144 10.9309 10.9309 11.7229 11.7229 11.7431 11.7431 11.8014 11.8014 11.8376 11.8376 k = 0.3714 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3862 -29.3862 -29.3786 -29.3786 -28.6038 -28.6038 -28.5917 -28.5917 -28.3054 -28.3054 -28.3017 -28.3017 -7.8728 -7.8728 -7.8698 -7.8698 -7.5948 -7.5948 -7.5853 -7.5853 4.0950 4.0950 4.1036 4.1036 4.4817 4.4817 4.4960 4.4960 5.4425 5.4425 5.4505 5.4505 6.0692 6.0692 6.0853 6.0853 7.7428 7.7428 7.7481 7.7481 8.3768 8.3768 8.3823 8.3823 10.9507 10.9507 10.9672 10.9672 11.7146 11.7146 11.7343 11.7343 11.7751 11.7751 11.8107 11.8107 k = 0.3857 0.5000 0.8063 ( 2292 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3858 -29.3858 -29.3790 -29.3790 -28.6032 -28.6032 -28.5923 -28.5923 -28.3053 -28.3053 -28.3020 -28.3020 -7.8653 -7.8653 -7.8623 -7.8623 -7.6019 -7.6019 -7.5932 -7.5932 4.1101 4.1101 4.1190 4.1190 4.4566 4.4566 4.4708 4.4708 5.4480 5.4480 5.4560 5.4560 6.0532 6.0532 6.0682 6.0682 7.7575 7.7575 7.7623 7.7623 8.3886 8.3886 8.3935 8.3935 10.9872 10.9872 11.0035 11.0035 11.7001 11.7001 11.7115 11.7115 11.7624 11.7624 11.7898 11.7898 k = 0.4000 0.5000 0.8063 ( 2292 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3853 -29.3853 -29.3794 -29.3794 -28.6025 -28.6025 -28.5930 -28.5930 -28.3051 -28.3051 -28.3022 -28.3022 -7.8581 -7.8581 -7.8552 -7.8552 -7.6087 -7.6087 -7.6007 -7.6007 4.1261 4.1261 4.1353 4.1353 4.4316 4.4316 4.4456 4.4456 5.4539 5.4539 5.4616 5.4616 6.0385 6.0385 6.0522 6.0522 7.7705 7.7705 7.7747 7.7747 8.3994 8.3994 8.4038 8.4038 11.0235 11.0235 11.0395 11.0395 11.6782 11.6782 11.6802 11.6802 11.7586 11.7586 11.7762 11.7762 k = 0.4143 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3849 -29.3849 -29.3798 -29.3798 -28.6019 -28.6019 -28.5937 -28.5937 -28.3049 -28.3049 -28.3024 -28.3024 -7.8514 -7.8514 -7.8486 -7.8486 -7.6149 -7.6149 -7.6078 -7.6078 4.1428 4.1428 4.1523 4.1523 4.4068 4.4068 4.4205 4.4205 5.4598 5.4598 5.4670 5.4670 6.0253 6.0253 6.0376 6.0376 7.7817 7.7817 7.7853 7.7853 8.4091 8.4091 8.4129 8.4129 11.0593 11.0593 11.0748 11.0748 11.6469 11.6469 11.6510 11.6510 11.7573 11.7573 11.7684 11.7684 k = 0.4286 0.5000 0.8063 ( 2300 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3845 -29.3845 -29.3802 -29.3802 -28.6012 -28.6012 -28.5944 -28.5944 -28.3048 -28.3048 -28.3026 -28.3026 -7.8452 -7.8452 -7.8426 -7.8426 -7.6205 -7.6205 -7.6143 -7.6143 4.1602 4.1602 4.1701 4.1701 4.3823 4.3823 4.3957 4.3957 5.4655 5.4655 5.4720 5.4720 6.0140 6.0140 6.0246 6.0246 7.7912 7.7912 7.7942 7.7942 8.4177 8.4177 8.4208 8.4208 11.0940 11.0940 11.1088 11.1088 11.6140 11.6140 11.6213 11.6213 11.7568 11.7568 11.7640 11.7640 k = 0.4429 0.5000 0.8063 ( 2296 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3840 -29.3840 -29.3806 -29.3806 -28.6006 -28.6006 -28.5950 -28.5950 -28.3046 -28.3046 -28.3029 -28.3029 -7.8398 -7.8398 -7.8375 -7.8375 -7.6252 -7.6252 -7.6201 -7.6201 4.1783 4.1783 4.1885 4.1885 4.3583 4.3583 4.3714 4.3714 5.4708 5.4708 5.4764 5.4764 6.0045 6.0045 6.0134 6.0134 7.7989 7.7989 7.8014 7.8014 8.4249 8.4249 8.4274 8.4274 11.1269 11.1269 11.1404 11.1404 11.5829 11.5829 11.5916 11.5916 11.7567 11.7567 11.7614 11.7614 k = 0.4571 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3836 -29.3836 -29.3810 -29.3810 -28.5999 -28.5999 -28.5957 -28.5957 -28.3044 -28.3044 -28.3031 -28.3031 -7.8352 -7.8352 -7.8334 -7.8334 -7.6290 -7.6290 -7.6250 -7.6250 4.1970 4.1970 4.2073 4.2073 4.3352 4.3352 4.3477 4.3477 5.4755 5.4755 5.4798 5.4798 5.9973 5.9973 6.0041 6.0041 7.8050 7.8050 7.8068 7.8068 8.4307 8.4307 8.4326 8.4326 11.1568 11.1568 11.1684 11.1684 11.5552 11.5552 11.5637 11.5637 11.7568 11.7568 11.7598 11.7598 k = 0.4714 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3832 -29.3832 -29.3814 -29.3814 -28.5992 -28.5992 -28.5964 -28.5964 -28.3042 -28.3042 -28.3033 -28.3033 -7.8317 -7.8317 -7.8304 -7.8304 -7.6316 -7.6316 -7.6289 -7.6289 4.2159 4.2159 4.2260 4.2260 4.3135 4.3135 4.3251 4.3251 5.4792 5.4792 5.4822 5.4822 5.9923 5.9923 5.9969 5.9969 7.8094 7.8094 7.8106 7.8106 8.4350 8.4350 8.4362 8.4362 11.1819 11.1819 11.1907 11.1907 11.5330 11.5330 11.5399 11.5399 11.7569 11.7569 11.7588 11.7588 k = 0.4857 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3828 -29.3828 -29.3818 -29.3818 -28.5985 -28.5985 -28.5971 -28.5971 -28.3040 -28.3040 -28.3035 -28.3035 -7.8294 -7.8294 -7.8287 -7.8287 -7.6329 -7.6329 -7.6315 -7.6315 4.2340 4.2340 4.2423 4.2423 4.2956 4.2956 4.3045 4.3045 5.4818 5.4818 5.4834 5.4834 5.9897 5.9897 5.9921 5.9921 7.8122 7.8122 7.8128 7.8128 8.4377 8.4377 8.4383 8.4383 11.1999 11.1999 11.2047 11.2047 11.5189 11.5189 11.5229 11.5229 11.7571 11.7571 11.7581 11.7581 k = 0.5000 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3825 -29.3825 -29.3821 -29.3821 -28.5980 -28.5980 -28.5976 -28.5976 -28.3039 -28.3039 -28.3036 -28.3036 -7.8284 -7.8284 -7.8284 -7.8284 -7.6329 -7.6329 -7.6329 -7.6329 4.2467 4.2467 4.2467 4.2467 4.2908 4.2908 4.2908 4.2908 5.4832 5.4832 5.4833 5.4833 5.9896 5.9896 5.9897 5.9897 7.8133 7.8133 7.8133 7.8133 8.4388 8.4388 8.4388 8.4388 11.2079 11.2079 11.2081 11.2081 11.5152 11.5152 11.5154 11.5154 11.7574 11.7574 11.7577 11.7577 k = 0.5000 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3825 -29.3825 -29.3821 -29.3821 -28.5980 -28.5980 -28.5976 -28.5976 -28.3039 -28.3039 -28.3036 -28.3036 -7.8284 -7.8284 -7.8284 -7.8284 -7.6329 -7.6329 -7.6329 -7.6329 4.2467 4.2467 4.2467 4.2467 4.2908 4.2908 4.2908 4.2908 5.4832 5.4832 5.4833 5.4833 5.9896 5.9896 5.9897 5.9897 7.8133 7.8133 7.8133 7.8133 8.4388 8.4388 8.4388 8.4388 11.2079 11.2079 11.2081 11.2081 11.5152 11.5152 11.5154 11.5154 11.7574 11.7574 11.7577 11.7577 k = 0.4898 0.4898 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3828 -29.3828 -29.3818 -29.3818 -28.5986 -28.5986 -28.5971 -28.5971 -28.3040 -28.3040 -28.3035 -28.3035 -7.8299 -7.8299 -7.8282 -7.8282 -7.6333 -7.6333 -7.6311 -7.6311 4.2296 4.2296 4.2487 4.2487 4.2897 4.2897 4.3084 4.3084 5.4801 5.4801 5.4850 5.4850 5.9891 5.9891 5.9927 5.9927 7.8121 7.8121 7.8129 7.8129 8.4370 8.4370 8.4390 8.4390 11.1957 11.1957 11.2089 11.2089 11.5145 11.5145 11.5273 11.5273 11.7571 11.7571 11.7581 11.7581 k = 0.4796 0.4796 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3832 -29.3832 -29.3814 -29.3814 -28.5992 -28.5992 -28.5964 -28.5964 -28.3042 -28.3042 -28.3033 -28.3033 -7.8342 -7.8342 -7.8279 -7.8279 -7.6337 -7.6337 -7.6268 -7.6268 4.2022 4.2022 4.2504 4.2504 4.2913 4.2913 4.3368 4.3368 5.4715 5.4715 5.4900 5.4900 5.9889 5.9889 6.0003 6.0003 7.8087 7.8087 7.8113 7.8113 8.4317 8.4317 8.4393 8.4393 11.1648 11.1648 11.2099 11.2099 11.5134 11.5134 11.5575 11.5575 11.7567 11.7567 11.7590 11.7590 k = 0.4694 0.4694 0.8063 ( 2294 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3836 -29.3836 -29.3810 -29.3810 -28.5999 -28.5999 -28.5957 -28.5957 -28.3044 -28.3044 -28.3031 -28.3031 -7.8409 -7.8409 -7.8275 -7.8275 -7.6343 -7.6343 -7.6200 -7.6200 4.1733 4.1733 4.2531 4.2531 4.2941 4.2941 4.3670 4.3670 5.4577 5.4577 5.4982 5.4982 5.9886 5.9886 6.0122 6.0122 7.8031 7.8031 7.8086 7.8086 8.4229 8.4229 8.4397 8.4397 11.1225 11.1225 11.2115 11.2115 11.5117 11.5117 11.5988 11.5988 11.7562 11.7562 11.7602 11.7602 k = 0.4592 0.4592 0.8063 ( 2290 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3840 -29.3840 -29.3806 -29.3806 -28.6006 -28.6006 -28.5950 -28.5950 -28.3046 -28.3046 -28.3029 -28.3029 -7.8494 -7.8494 -7.8268 -7.8268 -7.6351 -7.6351 -7.6113 -7.6113 4.1448 4.1448 4.2568 4.2568 4.2981 4.2981 4.3975 4.3975 5.4395 5.4395 5.5098 5.5098 5.9883 5.9883 6.0279 6.0279 7.7953 7.7953 7.8050 7.8050 8.4106 8.4106 8.4401 8.4401 11.0742 11.0742 11.2137 11.2137 11.5095 11.5095 11.6454 11.6454 11.7557 11.7557 11.7622 11.7622 k = 0.4490 0.4490 0.8063 ( 2290 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3845 -29.3845 -29.3802 -29.3802 -28.6012 -28.6012 -28.5944 -28.5944 -28.3048 -28.3048 -28.3026 -28.3026 -7.8593 -7.8593 -7.8260 -7.8260 -7.6362 -7.6362 -7.6011 -7.6011 4.1171 4.1171 4.2616 4.2616 4.3032 4.3032 4.4275 4.4275 5.4176 5.4176 5.5248 5.5248 5.9878 5.9878 6.0464 6.0464 7.7853 7.7853 7.8005 7.8005 8.3947 8.3947 8.4402 8.4402 11.0233 11.0233 11.2165 11.2165 11.5068 11.5068 11.6933 11.6933 11.7550 11.7550 11.7657 11.7657 k = 0.4388 0.4388 0.8063 ( 2284 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3849 -29.3849 -29.3798 -29.3798 -28.6019 -28.6019 -28.5937 -28.5937 -28.3049 -28.3049 -28.3024 -28.3024 -7.8702 -7.8702 -7.8250 -7.8250 -7.6375 -7.6375 -7.5900 -7.5900 4.0906 4.0906 4.2674 4.2674 4.3094 4.3094 4.4566 4.4566 5.3929 5.3929 5.5432 5.5432 5.9873 5.9873 6.0670 6.0670 7.7732 7.7732 7.7952 7.7952 8.3754 8.3754 8.4398 8.4398 10.9715 10.9715 11.2199 11.2199 11.5040 11.5040 11.7354 11.7354 11.7543 11.7543 11.7762 11.7762 k = 0.4286 0.4286 0.8063 ( 2286 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3853 -29.3853 -29.3794 -29.3794 -28.6025 -28.6025 -28.5930 -28.5930 -28.3051 -28.3051 -28.3022 -28.3022 -7.8816 -7.8816 -7.8238 -7.8238 -7.6390 -7.6390 -7.5783 -7.5783 4.0655 4.0655 4.2744 4.2744 4.3168 4.3168 4.4846 4.4846 5.3659 5.3659 5.5651 5.5651 5.9866 5.9866 6.0890 6.0890 7.7591 7.7591 7.7891 7.7891 8.3525 8.3525 8.4386 8.4386 10.9201 10.9201 11.2239 11.2239 11.5010 11.5010 11.7528 11.7528 11.7550 11.7550 11.8099 11.8099 k = 0.4184 0.4184 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3857 -29.3857 -29.3790 -29.3790 -28.6031 -28.6031 -28.5924 -28.5924 -28.3053 -28.3053 -28.3020 -28.3020 -7.8933 -7.8933 -7.8225 -7.8225 -7.6408 -7.6408 -7.5663 -7.5663 4.0420 4.0420 4.2824 4.2824 4.3253 4.3253 4.5112 4.5112 5.3372 5.3372 5.5904 5.5904 5.9859 5.9859 6.1118 6.1118 7.7430 7.7430 7.7824 7.7824 8.3262 8.3262 8.4362 8.4362 10.8701 10.8701 11.2285 11.2285 11.4981 11.4981 11.7522 11.7522 11.7602 11.7602 11.8565 11.8565 k = 0.4082 0.4082 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3861 -29.3861 -29.3787 -29.3787 -28.6037 -28.6037 -28.5918 -28.5918 -28.3054 -28.3054 -28.3018 -28.3018 -7.9051 -7.9051 -7.8209 -7.8209 -7.6428 -7.6428 -7.5543 -7.5543 4.0202 4.0202 4.2915 4.2915 4.3350 4.3350 4.5363 4.5363 5.3073 5.3073 5.6192 5.6192 5.9851 5.9851 6.1350 6.1350 7.7251 7.7251 7.7752 7.7752 8.2964 8.2964 8.4323 8.4323 10.8220 10.8220 11.2336 11.2336 11.4954 11.4954 11.7511 11.7511 11.7632 11.7632 11.9045 11.9045 k = 0.3980 0.3980 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3865 -29.3865 -29.3784 -29.3784 -28.6043 -28.6043 -28.5912 -28.5912 -28.3056 -28.3056 -28.3016 -28.3016 -7.9166 -7.9166 -7.8193 -7.8193 -7.6449 -7.6449 -7.5424 -7.5424 4.0002 4.0002 4.3017 4.3017 4.3458 4.3458 4.5598 4.5598 5.2765 5.2765 5.6513 5.6513 5.9842 5.9842 6.1582 6.1582 7.7053 7.7053 7.7676 7.7676 8.2632 8.2632 8.4265 8.4265 10.7765 10.7765 11.2392 11.2392 11.4932 11.4932 11.7498 11.7498 11.7655 11.7655 11.9518 11.9518 k = 0.3878 0.3878 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3868 -29.3868 -29.3780 -29.3780 -28.6048 -28.6048 -28.5906 -28.5906 -28.3057 -28.3057 -28.3013 -28.3013 -7.9279 -7.9279 -7.8175 -7.8175 -7.6473 -7.6473 -7.5308 -7.5308 3.9821 3.9821 4.3130 4.3130 4.3578 4.3578 4.5814 4.5814 5.2450 5.2450 5.6867 5.6867 5.9833 5.9833 6.1810 6.1810 7.6839 7.6839 7.7597 7.7597 8.2267 8.2267 8.4185 8.4185 10.7342 10.7342 11.2454 11.2454 11.4916 11.4916 11.7485 11.7485 11.7676 11.7676 11.9977 11.9977 k = 0.3776 0.3776 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3872 -29.3872 -29.3777 -29.3777 -28.6053 -28.6053 -28.5901 -28.5901 -28.3058 -28.3058 -28.3012 -28.3012 -7.9388 -7.9388 -7.8155 -7.8155 -7.6498 -7.6498 -7.5197 -7.5197 3.9660 3.9660 4.3254 4.3254 4.3709 4.3709 4.6013 4.6013 5.2133 5.2133 5.7251 5.7251 5.9823 5.9823 6.2031 6.2031 7.6609 7.6609 7.7515 7.7515 8.1869 8.1869 8.4078 8.4078 10.6955 10.6955 11.2520 11.2520 11.4907 11.4907 11.7471 11.7471 11.7695 11.7695 12.0418 12.0418 k = 0.3673 0.3673 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3875 -29.3875 -29.3775 -29.3775 -28.6057 -28.6057 -28.5896 -28.5896 -28.3059 -28.3059 -28.3010 -28.3010 -7.9492 -7.9492 -7.8134 -7.8134 -7.6526 -7.6526 -7.5091 -7.5091 3.9521 3.9521 4.3389 4.3389 4.3851 4.3851 4.6194 4.6194 5.1813 5.1813 5.7664 5.7664 5.9812 5.9812 6.2244 6.2244 7.6365 7.6365 7.7431 7.7431 8.1441 8.1441 8.3940 8.3940 10.6609 10.6609 11.2591 11.2591 11.4907 11.4907 11.7456 11.7456 11.7713 11.7713 12.0838 12.0838 k = 0.3571 0.3571 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3878 -29.3878 -29.3772 -29.3772 -28.6062 -28.6062 -28.5891 -28.5891 -28.3060 -28.3060 -28.3008 -28.3008 -7.9589 -7.9589 -7.8112 -7.8112 -7.6555 -7.6555 -7.4991 -7.4991 3.9403 3.9403 4.3535 4.3535 4.4004 4.4004 4.6357 4.6357 5.1494 5.1494 5.8103 5.8103 5.9801 5.9801 6.2445 6.2445 7.6107 7.6107 7.7347 7.7347 8.0982 8.0982 8.3770 8.3770 10.6307 10.6307 11.2667 11.2667 11.4917 11.4917 11.7440 11.7440 11.7731 11.7731 12.1237 12.1237 k = 0.3469 0.3469 0.8063 ( 2284 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3881 -29.3881 -29.3770 -29.3770 -28.6066 -28.6066 -28.5887 -28.5887 -28.3061 -28.3061 -28.3006 -28.3006 -7.9680 -7.9680 -7.8088 -7.8088 -7.6585 -7.6585 -7.4900 -7.4900 3.9307 3.9307 4.3691 4.3691 4.4169 4.4169 4.6504 4.6504 5.1176 5.1176 5.8565 5.8565 5.9790 5.9790 6.2633 6.2633 7.5837 7.5837 7.7262 7.7262 8.0494 8.0494 8.3564 8.3564 10.6053 10.6053 11.2746 11.2746 11.4939 11.4939 11.7424 11.7424 11.7748 11.7748 12.1612 12.1612 k = 0.3367 0.3367 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3883 -29.3883 -29.3768 -29.3768 -28.6069 -28.6069 -28.5883 -28.5883 -28.3062 -28.3062 -28.3005 -28.3005 -7.9763 -7.9763 -7.8063 -7.8063 -7.6617 -7.6617 -7.4816 -7.4816 3.9234 3.9234 4.3859 4.3859 4.4346 4.4346 4.6636 4.6636 5.0862 5.0862 5.9046 5.9046 5.9779 5.9779 6.2806 6.2806 7.5556 7.5556 7.7178 7.7178 7.9980 7.9980 8.3321 8.3321 10.5849 10.5849 11.2829 11.2829 11.4973 11.4973 11.7409 11.7409 11.7764 11.7764 12.1962 12.1962 k = 0.3265 0.3265 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3886 -29.3886 -29.3766 -29.3766 -28.6072 -28.6072 -28.5879 -28.5879 -28.3062 -28.3062 -28.3003 -28.3003 -7.9838 -7.9838 -7.8038 -7.8038 -7.6650 -7.6650 -7.4741 -7.4741 3.9185 3.9185 4.4038 4.4038 4.4533 4.4533 4.6753 4.6753 5.0551 5.0551 5.9537 5.9537 5.9774 5.9774 6.2963 6.2963 7.5266 7.5266 7.7094 7.7094 7.9442 7.9442 8.3039 8.3039 10.5696 10.5696 11.2916 11.2916 11.5019 11.5019 11.7393 11.7393 11.7780 11.7780 12.2286 12.2286 k = 0.3163 0.3163 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3888 -29.3888 -29.3764 -29.3764 -28.6075 -28.6075 -28.5876 -28.5876 -28.3063 -28.3063 -28.3002 -28.3002 -7.9905 -7.9905 -7.8011 -7.8011 -7.6684 -7.6684 -7.4675 -7.4675 3.9158 3.9158 4.4226 4.4226 4.4732 4.4732 4.6857 4.6857 5.0246 5.0246 5.9743 5.9743 6.0065 6.0065 6.3102 6.3102 7.4968 7.4968 7.7011 7.7011 7.8882 7.8882 8.2718 8.2718 10.5597 10.5597 11.3006 11.3006 11.5078 11.5078 11.7378 11.7378 11.7796 11.7796 12.2584 12.2584 k = 0.3061 0.3061 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3890 -29.3890 -29.3762 -29.3762 -28.6078 -28.6078 -28.5873 -28.5873 -28.3063 -28.3063 -28.3001 -28.3001 -7.9962 -7.9962 -7.7984 -7.7984 -7.6719 -7.6719 -7.4620 -7.4620 3.9156 3.9156 4.4425 4.4425 4.4941 4.4941 4.6949 4.6949 4.9948 4.9948 5.9735 5.9735 6.0578 6.0578 6.3222 6.3222 7.4662 7.4662 7.6930 7.6930 7.8304 7.8304 8.2358 8.2358 10.5550 10.5550 11.3098 11.3098 11.5150 11.5150 11.7364 11.7364 11.7812 11.7812 12.2855 12.2855 k = 0.2959 0.2959 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3891 -29.3891 -29.3761 -29.3761 -28.6080 -28.6080 -28.5871 -28.5871 -28.3063 -28.3063 -28.3000 -28.3000 -8.0011 -8.0011 -7.7956 -7.7956 -7.6755 -7.6755 -7.4574 -7.4574 3.9177 3.9177 4.4634 4.4634 4.5162 4.5162 4.7031 4.7031 4.9657 4.9657 5.9724 5.9724 6.1097 6.1097 6.3323 6.3323 7.4352 7.4352 7.6849 7.6849 7.7712 7.7712 8.1961 8.1961 10.5555 10.5555 11.3193 11.3193 11.5236 11.5236 11.7351 11.7351 11.7828 11.7828 12.3099 12.3099 k = 0.2857 0.2857 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3892 -29.3892 -29.3760 -29.3760 -28.6081 -28.6081 -28.5869 -28.5869 -28.3064 -28.3064 -28.2999 -28.2999 -8.0049 -8.0049 -7.7927 -7.7927 -7.6792 -7.6792 -7.4540 -7.4540 3.9222 3.9222 4.4851 4.4851 4.5393 4.5393 4.7104 4.7104 4.9375 4.9375 5.9712 5.9712 6.1612 6.1612 6.3402 6.3402 7.4037 7.4037 7.6768 7.6768 7.7113 7.7113 8.1529 8.1529 10.5610 10.5610 11.3290 11.3290 11.5333 11.5333 11.7339 11.7339 11.7844 11.7844 12.3313 12.3313 k = 0.2755 0.2755 0.8063 ( 2276 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3893 -29.3893 -29.3759 -29.3759 -28.6082 -28.6082 -28.5867 -28.5867 -28.3064 -28.3064 -28.2998 -28.2998 -8.0078 -8.0078 -7.7898 -7.7898 -7.6829 -7.6829 -7.4516 -7.4516 3.9291 3.9291 4.5076 4.5076 4.5635 4.5635 4.7170 4.7170 4.9103 4.9103 5.9699 5.9699 6.2118 6.2118 6.3461 6.3461 7.3719 7.3719 7.6491 7.6491 7.6706 7.6706 8.1064 8.1064 10.5713 10.5713 11.3388 11.3388 11.5443 11.5443 11.7329 11.7329 11.7862 11.7862 12.3500 12.3500 k = 0.2653 0.2653 0.8063 ( 2284 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3894 -29.3894 -29.3759 -29.3759 -28.6083 -28.6083 -28.5866 -28.5866 -28.3064 -28.3064 -28.2997 -28.2997 -8.0097 -8.0097 -7.7869 -7.7869 -7.6866 -7.6866 -7.4503 -7.4503 3.9383 3.9383 4.5307 4.5307 4.5887 4.5887 4.7229 4.7229 4.8844 4.8844 5.9687 5.9687 6.2606 6.2606 6.3497 6.3497 7.3400 7.3400 7.5893 7.5893 7.6625 7.6625 8.0570 8.0570 10.5862 10.5862 11.3487 11.3487 11.5564 11.5564 11.7320 11.7320 11.7880 11.7880 12.3657 12.3657 k = 0.2551 0.2551 0.8063 ( 2280 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3894 -29.3894 -29.3759 -29.3759 -28.6083 -28.6083 -28.5866 -28.5866 -28.3064 -28.3064 -28.2997 -28.2997 -8.0106 -8.0106 -7.7839 -7.7839 -7.6904 -7.6904 -7.4502 -7.4502 3.9499 3.9499 4.5541 4.5541 4.6149 4.6149 4.7284 4.7284 4.8600 4.8600 5.9675 5.9675 6.3066 6.3066 6.3512 6.3512 7.3080 7.3080 7.5302 7.5302 7.6550 7.6550 8.0050 8.0050 10.6054 10.6054 11.3587 11.3587 11.5695 11.5695 11.7314 11.7314 11.7901 11.7901 12.3785 12.3785 k = 0.2449 0.2449 0.8063 ( 2282 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3894 -29.3894 -29.3758 -29.3758 -28.6083 -28.6083 -28.5866 -28.5866 -28.3063 -28.3063 -28.2997 -28.2997 -8.0104 -8.0104 -7.7810 -7.7810 -7.6942 -7.6942 -7.4511 -7.4511 3.9638 3.9638 4.5774 4.5774 4.6420 4.6420 4.7334 4.7334 4.8376 4.8376 5.9664 5.9664 6.3483 6.3483 6.3507 6.3507 7.2762 7.2762 7.4733 7.4733 7.6475 7.6475 7.9509 7.9509 10.6286 10.6286 11.3687 11.3687 11.5834 11.5834 11.7310 11.7310 11.7925 11.7925 12.3884 12.3884 k = 0.2347 0.2347 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3894 -29.3894 -29.3759 -29.3759 -28.6083 -28.6083 -28.5866 -28.5866 -28.3063 -28.3063 -28.2997 -28.2997 -8.0092 -8.0092 -7.7780 -7.7780 -7.6980 -7.6980 -7.4533 -7.4533 3.9800 3.9800 4.5998 4.5998 4.6700 4.6700 4.7383 4.7383 4.8179 4.8179 5.9652 5.9652 6.3472 6.3472 6.3855 6.3855 7.2446 7.2446 7.4200 7.4200 7.6399 7.6399 7.8952 7.8952 10.6554 10.6554 11.3788 11.3788 11.5980 11.5980 11.7308 11.7308 11.7951 11.7951 12.3954 12.3954 k = 0.2245 0.2245 0.8063 ( 2294 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3893 -29.3893 -29.3759 -29.3759 -28.6082 -28.6082 -28.5867 -28.5867 -28.3063 -28.3063 -28.2997 -28.2997 -8.0070 -8.0070 -7.7750 -7.7750 -7.7018 -7.7018 -7.4565 -7.4565 3.9984 3.9984 4.6200 4.6200 4.6987 4.6987 4.7432 4.7432 4.8024 4.8024 5.9642 5.9642 6.3418 6.3418 6.4151 6.4151 7.2133 7.2133 7.3720 7.3720 7.6317 7.6317 7.8386 7.8386 10.6855 10.6855 11.3888 11.3888 11.6131 11.6131 11.7309 11.7309 11.7984 11.7984 12.3996 12.3996 k = 0.2143 0.2143 0.8063 ( 2294 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3892 -29.3892 -29.3760 -29.3760 -28.6080 -28.6080 -28.5868 -28.5868 -28.3062 -28.3062 -28.2997 -28.2997 -8.0037 -8.0037 -7.7721 -7.7721 -7.7055 -7.7055 -7.4609 -7.4609 4.0188 4.0188 4.6356 4.6356 4.7273 4.7273 4.7489 4.7489 4.7934 4.7934 5.9631 5.9631 6.3343 6.3343 6.4356 6.4356 7.1826 7.1826 7.3313 7.3313 7.6222 7.6222 7.7824 7.7824 10.7187 10.7187 11.3986 11.3986 11.6283 11.6283 11.7312 11.7312 11.8023 11.8023 12.4009 12.4009 k = 0.2041 0.2041 0.8063 ( 2298 PWs) bands (ev): -54.8832 -54.8832 -54.8827 -54.8827 -29.3891 -29.3891 -29.3761 -29.3761 -28.6078 -28.6078 -28.5870 -28.5870 -28.3061 -28.3061 -28.2998 -28.2998 -7.9994 -7.9994 -7.7692 -7.7692 -7.7091 -7.7091 -7.4664 -7.4664 4.0414 4.0414 4.6439 4.6439 4.7481 4.7481 4.7634 4.7634 4.7935 4.7935 5.9621 5.9621 6.3245 6.3245 6.4450 6.4450 7.1524 7.1524 7.2997 7.2997 7.6091 7.6091 7.7289 7.7289 10.7546 10.7546 11.4084 11.4084 11.6433 11.6433 11.7318 11.7318 11.8071 11.8071 12.3993 12.3993 k = 0.1939 0.1939 0.8063 ( 2302 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3889 -29.3889 -29.3762 -29.3762 -28.6076 -28.6076 -28.5872 -28.5872 -28.3061 -28.3061 -28.2998 -28.2998 -7.9941 -7.9941 -7.7664 -7.7664 -7.7127 -7.7127 -7.4729 -7.4729 4.0658 4.0658 4.6436 4.6436 4.7553 4.7553 4.7919 4.7919 4.8045 4.8045 5.9612 5.9612 6.3126 6.3126 6.4418 6.4418 7.1229 7.1229 7.2788 7.2788 7.5872 7.5872 7.6839 7.6839 10.7928 10.7928 11.4180 11.4180 11.6578 11.6578 11.7325 11.7325 11.8131 11.8131 12.3951 12.3951 k = 0.1837 0.1837 0.8063 ( 2298 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3887 -29.3887 -29.3763 -29.3763 -28.6074 -28.6074 -28.5874 -28.5874 -28.3060 -28.3060 -28.2999 -28.2999 -7.9878 -7.9878 -7.7636 -7.7636 -7.7162 -7.7162 -7.4805 -7.4805 4.0920 4.0920 4.6365 4.6365 4.7611 4.7611 4.8200 4.8200 4.8268 4.8268 5.9604 5.9604 6.2987 6.2987 6.4253 6.4253 7.0943 7.0943 7.2692 7.2692 7.5498 7.5498 7.6544 7.6544 10.8332 10.8332 11.4273 11.4273 11.6714 11.6714 11.7335 11.7335 11.8205 11.8205 12.3881 12.3881 k = 0.1735 0.1735 0.8063 ( 2298 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3885 -29.3885 -29.3765 -29.3765 -28.6070 -28.6070 -28.5877 -28.5877 -28.3059 -28.3059 -28.3000 -28.3000 -7.9806 -7.9806 -7.7609 -7.7609 -7.7197 -7.7197 -7.4892 -7.4892 4.1197 4.1197 4.6254 4.6254 4.7673 4.7673 4.8462 4.8462 4.8577 4.8577 5.9596 5.9596 6.2829 6.2829 6.3961 6.3961 7.0665 7.0665 7.2704 7.2704 7.4993 7.4993 7.6383 7.6383 10.8754 10.8754 11.4364 11.4364 11.6837 11.6837 11.7346 11.7346 11.8295 11.8295 12.3785 12.3785 k = 0.1633 0.1633 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3883 -29.3883 -29.3767 -29.3767 -28.6067 -28.6067 -28.5881 -28.5881 -28.3058 -28.3058 -28.3001 -28.3001 -7.9724 -7.9724 -7.7583 -7.7583 -7.7230 -7.7230 -7.4988 -7.4988 4.1488 4.1488 4.6122 4.6122 4.7742 4.7742 4.8748 4.8748 4.8902 4.8902 5.9589 5.9589 6.2653 6.2653 6.3556 6.3556 7.0398 7.0398 7.2808 7.2808 7.4430 7.4430 7.6286 7.6286 10.9192 10.9192 11.4453 11.4453 11.6944 11.6944 11.7359 11.7359 11.8404 11.8404 12.3663 12.3663 k = 0.1531 0.1531 0.8063 ( 2294 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3880 -29.3880 -29.3769 -29.3769 -28.6063 -28.6063 -28.5884 -28.5884 -28.3056 -28.3056 -28.3002 -28.3002 -7.9632 -7.9632 -7.7558 -7.7558 -7.7261 -7.7261 -7.5094 -7.5094 4.1790 4.1790 4.5984 4.5984 4.7823 4.7823 4.9053 4.9053 4.9232 4.9232 5.9582 5.9582 6.2459 6.2459 6.3057 6.3057 7.0142 7.0142 7.2984 7.2984 7.3847 7.3847 7.6217 7.6217 10.9641 10.9641 11.4538 11.4538 11.7034 11.7034 11.7372 11.7372 11.8531 11.8531 12.3517 12.3517 k = 0.1429 0.1429 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3877 -29.3877 -29.3771 -29.3771 -28.6059 -28.6059 -28.5889 -28.5889 -28.3055 -28.3055 -28.3003 -28.3003 -7.9532 -7.9532 -7.7534 -7.7534 -7.7292 -7.7292 -7.5209 -7.5209 4.2100 4.2100 4.5845 4.5845 4.7917 4.7917 4.9372 4.9372 4.9564 4.9564 5.9576 5.9576 6.2251 6.2251 6.2486 6.2486 6.9898 6.9898 7.3201 7.3201 7.3274 7.3274 7.6164 7.6164 11.0101 11.0101 11.4619 11.4619 11.7108 11.7108 11.7386 11.7386 11.8674 11.8674 12.3348 12.3348 k = 0.1327 0.1327 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3874 -29.3874 -29.3774 -29.3774 -28.6055 -28.6055 -28.5893 -28.5893 -28.3054 -28.3054 -28.3005 -28.3005 -7.9423 -7.9423 -7.7511 -7.7511 -7.7320 -7.7320 -7.5332 -7.5332 4.2413 4.2413 4.5710 4.5710 4.8030 4.8030 4.9699 4.9699 4.9895 4.9895 5.9571 5.9571 6.1860 6.1860 6.2030 6.2030 6.9666 6.9666 7.2682 7.2682 7.3475 7.3475 7.6119 7.6119 11.0567 11.0567 11.4696 11.4696 11.7167 11.7167 11.7399 11.7399 11.8830 11.8830 12.3157 12.3157 k = 0.1224 0.1224 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3871 -29.3871 -29.3777 -29.3777 -28.6050 -28.6050 -28.5898 -28.5898 -28.3052 -28.3052 -28.3006 -28.3006 -7.9306 -7.9306 -7.7489 -7.7489 -7.7348 -7.7348 -7.5463 -7.5463 4.2725 4.2725 4.5581 4.5581 4.8164 4.8164 5.0030 5.0030 5.0225 5.0225 5.9565 5.9565 6.1195 6.1195 6.1797 6.1797 6.9448 6.9448 7.2118 7.2118 7.3753 7.3753 7.6082 7.6082 11.1038 11.1038 11.4769 11.4769 11.7215 11.7215 11.7411 11.7411 11.8994 11.8994 12.2945 12.2945 k = 0.1122 0.1122 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3867 -29.3867 -29.3780 -29.3780 -28.6045 -28.6045 -28.5903 -28.5903 -28.3051 -28.3051 -28.3008 -28.3008 -7.9181 -7.9181 -7.7469 -7.7469 -7.7373 -7.7373 -7.5601 -7.5601 4.3031 4.3031 4.5460 4.5460 4.8325 4.8325 5.0363 5.0363 5.0548 5.0548 5.9559 5.9559 6.0504 6.0504 6.1556 6.1556 6.9245 6.9245 7.1571 7.1571 7.4038 7.4038 7.6049 7.6049 11.1510 11.1510 11.4837 11.4837 11.7253 11.7253 11.7422 11.7422 11.9162 11.9162 12.2716 12.2716 k = 0.1020 0.1020 0.8063 ( 2292 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3864 -29.3864 -29.3783 -29.3783 -28.6039 -28.6039 -28.5909 -28.5909 -28.3049 -28.3049 -28.3009 -28.3009 -7.9049 -7.9049 -7.7450 -7.7450 -7.7397 -7.7397 -7.5746 -7.5746 4.3326 4.3326 4.5347 4.5347 4.8518 4.8518 5.0692 5.0692 5.0864 5.0864 5.9535 5.9535 5.9811 5.9811 6.1310 6.1310 6.9057 6.9057 7.1047 7.1047 7.4320 7.4320 7.6020 7.6020 11.1979 11.1979 11.4901 11.4901 11.7284 11.7284 11.7431 11.7431 11.9331 11.9331 12.2470 12.2470 k = 0.0918 0.0918 0.8063 ( 2300 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3860 -29.3860 -29.3786 -29.3786 -28.6033 -28.6033 -28.5914 -28.5914 -28.3048 -28.3048 -28.3011 -28.3011 -7.8910 -7.8910 -7.7433 -7.7433 -7.7418 -7.7418 -7.5898 -7.5898 4.3602 4.3602 4.5245 4.5245 4.8748 4.8748 5.1015 5.1015 5.1169 5.1169 5.9045 5.9045 5.9574 5.9574 6.1061 6.1061 6.8884 6.8884 7.0550 7.0550 7.4591 7.4591 7.5995 7.5995 11.2443 11.2443 11.4959 11.4959 11.7311 11.7311 11.7438 11.7438 11.9495 11.9495 12.2212 12.2212 k = 0.0816 0.0816 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3856 -29.3856 -29.3789 -29.3789 -28.6027 -28.6027 -28.5920 -28.5920 -28.3046 -28.3046 -28.3013 -28.3013 -7.8764 -7.8764 -7.7438 -7.7438 -7.7417 -7.7417 -7.6054 -7.6054 4.3855 4.3855 4.5152 4.5152 4.9020 4.9020 5.1328 5.1328 5.1460 5.1460 5.8322 5.8322 5.9564 5.9564 6.0813 6.0813 6.8728 6.8728 7.0086 7.0086 7.4845 7.4845 7.5973 7.5973 11.2897 11.2897 11.5011 11.5011 11.7332 11.7332 11.7444 11.7444 11.9653 11.9653 12.1943 12.1943 k = 0.0714 0.0714 0.8063 ( 2304 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3852 -29.3852 -29.3793 -29.3793 -28.6021 -28.6021 -28.5927 -28.5927 -28.3044 -28.3044 -28.3015 -28.3015 -7.8613 -7.8613 -7.7455 -7.7455 -7.7403 -7.7403 -7.6216 -7.6216 4.4081 4.4081 4.5069 4.5069 4.9336 4.9336 5.1626 5.1626 5.1732 5.1732 5.7594 5.7594 5.9560 5.9560 6.0572 6.0572 6.8589 6.8589 6.9659 6.9659 7.5079 7.5079 7.5955 7.5955 11.3335 11.3335 11.5058 11.5058 11.7351 11.7351 11.7447 11.7447 11.9800 11.9800 12.1670 12.1670 k = 0.0612 0.0612 0.8063 ( 2316 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3848 -29.3848 -29.3797 -29.3797 -28.6015 -28.6015 -28.5933 -28.5933 -28.3042 -28.3042 -28.3017 -28.3017 -7.8457 -7.8457 -7.7471 -7.7471 -7.7391 -7.7391 -7.6381 -7.6381 4.4276 4.4276 4.4997 4.4997 4.9700 4.9700 5.1903 5.1903 5.1983 5.1983 5.6868 5.6868 5.9558 5.9558 6.0342 6.0342 6.8468 6.8468 6.9275 6.9275 7.5288 7.5288 7.5939 7.5939 11.3752 11.3752 11.5100 11.5100 11.7367 11.7367 11.7449 11.7449 11.9933 11.9933 12.1398 12.1398 k = 0.0510 0.0510 0.8063 ( 2312 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3844 -29.3844 -29.3801 -29.3801 -28.6008 -28.6008 -28.5940 -28.5940 -28.3040 -28.3040 -28.3019 -28.3019 -7.8297 -7.8297 -7.7484 -7.7484 -7.7380 -7.7380 -7.6550 -7.6550 4.4440 4.4440 4.4936 4.4936 5.0110 5.0110 5.2150 5.2150 5.2210 5.2210 5.6149 5.6149 5.9557 5.9557 6.0129 6.0129 6.8364 6.8364 6.8938 6.8938 7.5469 7.5469 7.5925 7.5925 11.4139 11.4139 11.5135 11.5135 11.7381 11.7381 11.7449 11.7449 12.0051 12.0051 12.1134 12.1134 k = 0.0408 0.0408 0.8063 ( 2316 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3839 -29.3839 -29.3805 -29.3805 -28.6002 -28.6002 -28.5946 -28.5946 -28.3038 -28.3038 -28.3021 -28.3021 -7.8133 -7.8133 -7.7495 -7.7495 -7.7371 -7.7371 -7.6720 -7.6720 4.4571 4.4571 4.4885 4.4885 5.0565 5.0565 5.2358 5.2358 5.2414 5.2414 5.5441 5.5441 5.9556 5.9556 5.9941 5.9941 6.8279 6.8279 6.8654 6.8654 7.5620 7.5620 7.5915 7.5915 11.4487 11.4487 11.5163 11.5163 11.7393 11.7393 11.7447 11.7447 12.0151 12.0151 12.0888 12.0888 k = 0.0306 0.0306 0.8063 ( 2320 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3835 -29.3835 -29.3809 -29.3809 -28.5995 -28.5995 -28.5953 -28.5953 -28.3036 -28.3036 -28.3023 -28.3023 -7.7967 -7.7967 -7.7503 -7.7503 -7.7365 -7.7365 -7.6892 -7.6892 4.4671 4.4671 4.4846 4.4846 5.1063 5.1063 5.2518 5.2518 5.2588 5.2588 5.4747 5.4747 5.9555 5.9555 5.9783 5.9783 6.8212 6.8212 6.8427 6.8427 7.5740 7.5740 7.5906 7.5906 11.4782 11.4782 11.5186 11.5186 11.7403 11.7403 11.7444 11.7444 12.0230 12.0230 12.0672 12.0672 k = 0.0204 0.0204 0.8063 ( 2320 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3831 -29.3831 -29.3813 -29.3813 -28.5988 -28.5988 -28.5960 -28.5960 -28.3034 -28.3034 -28.3025 -28.3025 -7.7800 -7.7800 -7.7510 -7.7510 -7.7359 -7.7359 -7.7062 -7.7062 4.4741 4.4741 4.4818 4.4818 5.1600 5.1600 5.2633 5.2633 5.2722 5.2722 5.4072 5.4072 5.9555 5.9555 5.9664 5.9664 6.8164 6.8164 6.8261 6.8261 7.5826 7.5826 7.5900 7.5900 11.5011 11.5011 11.5202 11.5202 11.7412 11.7412 11.7440 11.7440 12.0289 12.0289 12.0502 12.0502 k = 0.0102 0.0102 0.8063 ( 2324 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3826 -29.3826 -29.3817 -29.3817 -28.5981 -28.5981 -28.5967 -28.5967 -28.3033 -28.3033 -28.3027 -28.3027 -7.7641 -7.7641 -7.7514 -7.7514 -7.7355 -7.7355 -7.7224 -7.7224 4.4782 4.4782 4.4801 4.4801 5.2169 5.2169 5.2703 5.2703 5.2806 5.2806 5.3419 5.3419 5.9555 5.9555 5.9590 5.9590 6.8136 6.8136 6.8160 6.8160 7.5878 7.5878 7.5897 7.5897 11.5156 11.5156 11.5212 11.5212 11.7420 11.7420 11.7434 11.7434 12.0325 12.0325 12.0390 12.0390 k = 0.0000 0.0000 0.8063 ( 2324 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3824 -29.3824 -29.3820 -29.3820 -28.5976 -28.5976 -28.5972 -28.5972 -28.3032 -28.3032 -28.3028 -28.3028 -7.7532 -7.7532 -7.7531 -7.7531 -7.7336 -7.7336 -7.7336 -7.7336 4.4795 4.4795 4.4796 4.4796 5.2705 5.2705 5.2706 5.2706 5.2855 5.2855 5.2855 5.2855 5.9560 5.9560 5.9560 5.9560 6.8126 6.8126 6.8127 6.8127 7.5896 7.5896 7.5896 7.5896 11.5209 11.5209 11.5212 11.5212 11.7426 11.7426 11.7429 11.7429 12.0343 12.0343 12.0346 12.0346 k = 0.0000 0.5000-0.0000 ( 2280 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2443 -29.2443 -29.2439 -29.2439 -28.4540 -28.4540 -28.4536 -28.4536 -28.3499 -28.3499 -28.3496 -28.3496 -8.5261 -8.5261 -8.5261 -8.5261 -7.5420 -7.5420 -7.5420 -7.5420 4.0102 4.0102 4.0103 4.0103 5.5326 5.5326 5.5327 5.5327 5.7123 5.7123 5.7124 5.7124 5.8714 5.8714 5.8715 5.8715 7.5797 7.5797 7.5797 7.5797 8.4532 8.4532 8.4532 8.4532 10.8889 10.8889 10.8891 10.8891 11.4204 11.4204 11.4207 11.4207 12.1018 12.1018 12.1021 12.1021 k = 0.0000 0.5000 0.0144 ( 2280 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2445 -29.2445 -29.2438 -29.2438 -28.4546 -28.4546 -28.4533 -28.4533 -28.3501 -28.3501 -28.3493 -28.3493 -8.5256 -8.5256 -8.5255 -8.5255 -7.5424 -7.5424 -7.5420 -7.5420 4.0110 4.0110 4.0116 4.0116 5.5227 5.5227 5.5238 5.5238 5.7163 5.7163 5.7181 5.7181 5.8764 5.8764 5.8768 5.8768 7.5749 7.5749 7.5754 7.5754 8.4541 8.4541 8.4547 8.4547 10.8895 10.8895 10.8905 10.8905 11.4208 11.4208 11.4215 11.4215 12.1011 12.1011 12.1021 12.1021 k = 0.0000 0.5000 0.0288 ( 2272 PWs) bands (ev): -54.9155 -54.9155 -54.9151 -54.9151 -29.2450 -29.2450 -29.2438 -29.2438 -28.4556 -28.4556 -28.4530 -28.4530 -28.3504 -28.3504 -28.3490 -28.3490 -8.5238 -8.5238 -8.5236 -8.5236 -7.5431 -7.5431 -7.5423 -7.5423 4.0139 4.0139 4.0150 4.0150 5.4978 5.4978 5.4994 5.4994 5.7270 5.7270 5.7298 5.7298 5.8916 5.8916 5.8920 5.8920 7.5613 7.5613 7.5623 7.5623 8.4572 8.4572 8.4586 8.4586 10.8920 10.8920 10.8939 10.8939 11.4222 11.4222 11.4236 11.4236 12.0997 12.0997 12.1016 12.1016 k = 0.0000 0.5000 0.0432 ( 2272 PWs) bands (ev): -54.9154 -54.9154 -54.9150 -54.9150 -29.2456 -29.2456 -29.2440 -29.2440 -28.4569 -28.4569 -28.4531 -28.4531 -28.3506 -28.3506 -28.3486 -28.3486 -8.5208 -8.5208 -8.5205 -8.5205 -7.5441 -7.5441 -7.5430 -7.5430 4.0190 4.0190 4.0206 4.0206 5.4641 5.4641 5.4659 5.4659 5.7389 5.7389 5.7419 5.7419 5.9161 5.9161 5.9163 5.9163 7.5393 7.5393 7.5407 7.5407 8.4624 8.4624 8.4643 8.4643 10.8964 10.8964 10.8992 10.8992 11.4249 11.4249 11.4268 11.4268 12.0977 12.0977 12.1005 12.1005 k = 0.0000 0.5000 0.0576 ( 2272 PWs) bands (ev): -54.9152 -54.9152 -54.9148 -54.9148 -29.2464 -29.2464 -29.2442 -29.2442 -28.4584 -28.4584 -28.4533 -28.4533 -28.3508 -28.3508 -28.3482 -28.3482 -8.5166 -8.5166 -8.5162 -8.5162 -7.5454 -7.5454 -7.5440 -7.5440 4.0261 4.0261 4.0283 4.0283 5.4257 5.4257 5.4275 5.4275 5.7494 5.7494 5.7523 5.7523 5.9478 5.9478 5.9481 5.9481 7.5097 7.5097 7.5115 7.5115 8.4689 8.4689 8.4714 8.4714 10.9026 10.9026 10.9063 10.9063 11.4286 11.4286 11.4311 11.4311 12.0951 12.0951 12.0988 12.0988 k = 0.0000 0.5000 0.0720 ( 2272 PWs) bands (ev): -54.9150 -54.9150 -54.9146 -54.9146 -29.2474 -29.2474 -29.2447 -29.2447 -28.4602 -28.4602 -28.4539 -28.4539 -28.3510 -28.3510 -28.3478 -28.3478 -8.5112 -8.5112 -8.5107 -8.5107 -7.5471 -7.5471 -7.5453 -7.5453 4.0353 4.0353 4.0380 4.0380 5.3851 5.3851 5.3867 5.3867 5.7583 5.7583 5.7608 5.7608 5.9841 5.9841 5.9851 5.9851 7.4734 7.4734 7.4755 7.4755 8.4762 8.4762 8.4792 8.4792 10.9104 10.9104 10.9150 10.9150 11.4335 11.4335 11.4366 11.4366 12.0919 12.0919 12.0965 12.0965 k = 0.0000 0.5000 0.0864 ( 2276 PWs) bands (ev): -54.9147 -54.9147 -54.9143 -54.9143 -29.2485 -29.2485 -29.2452 -29.2452 -28.4622 -28.4622 -28.4547 -28.4547 -28.3511 -28.3511 -28.3473 -28.3473 -8.5047 -8.5047 -8.5041 -8.5041 -7.5491 -7.5491 -7.5469 -7.5469 4.0465 4.0465 4.0498 4.0498 5.3435 5.3435 5.3448 5.3448 5.7660 5.7660 5.7680 5.7680 6.0233 6.0233 6.0250 6.0250 7.4314 7.4314 7.4339 7.4339 8.4837 8.4837 8.4871 8.4871 10.9198 10.9198 10.9252 10.9252 11.4394 11.4394 11.4430 11.4430 12.0881 12.0881 12.0938 12.0938 k = 0.0000 0.5000 0.1008 ( 2280 PWs) bands (ev): -54.9144 -54.9144 -54.9140 -54.9140 -29.2498 -29.2498 -29.2460 -29.2460 -28.4644 -28.4644 -28.4558 -28.4558 -28.3511 -28.3511 -28.3468 -28.3468 -8.4970 -8.4970 -8.4963 -8.4963 -7.5514 -7.5514 -7.5488 -7.5488 4.0597 4.0597 4.0635 4.0635 5.3016 5.3016 5.3028 5.3028 5.7729 5.7729 5.7745 5.7745 6.0638 6.0638 6.0662 6.0662 7.3848 7.3848 7.3876 7.3876 8.4907 8.4907 8.4946 8.4946 10.9304 10.9304 10.9367 10.9367 11.4464 11.4464 11.4505 11.4505 12.0840 12.0840 12.0906 12.0906 k = 0.0000 0.5000 0.1152 ( 2282 PWs) bands (ev): -54.9140 -54.9140 -54.9136 -54.9136 -29.2512 -29.2512 -29.2469 -29.2469 -28.4669 -28.4669 -28.4571 -28.4571 -28.3511 -28.3511 -28.3462 -28.3462 -8.4882 -8.4882 -8.4874 -8.4874 -7.5539 -7.5539 -7.5510 -7.5510 4.0748 4.0748 4.0792 4.0792 5.2600 5.2600 5.2610 5.2610 5.7794 5.7794 5.7806 5.7806 6.1044 6.1044 6.1076 6.1076 7.3347 7.3347 7.3378 7.3378 8.4969 8.4969 8.5011 8.5011 10.9420 10.9420 10.9492 10.9492 11.4544 11.4544 11.4588 11.4588 12.0794 12.0794 12.0870 12.0870 k = 0.0000 0.5000 0.1296 ( 2278 PWs) bands (ev): -54.9136 -54.9136 -54.9132 -54.9132 -29.2528 -29.2528 -29.2479 -29.2479 -28.4696 -28.4696 -28.4587 -28.4587 -28.3510 -28.3510 -28.3456 -28.3456 -8.4783 -8.4783 -8.4774 -8.4774 -7.5568 -7.5568 -7.5535 -7.5535 4.0918 4.0918 4.0968 4.0968 5.2191 5.2191 5.2199 5.2199 5.7856 5.7856 5.7863 5.7863 6.1441 6.1441 6.1482 6.1482 7.2821 7.2821 7.2856 7.2856 8.5018 8.5018 8.5063 8.5063 10.9545 10.9545 10.9625 10.9625 11.4633 11.4633 11.4680 11.4680 12.0746 12.0746 12.0832 12.0832 k = 0.0000 0.5000 0.1440 ( 2278 PWs) bands (ev): -54.9131 -54.9131 -54.9127 -54.9127 -29.2546 -29.2546 -29.2491 -29.2491 -28.4726 -28.4726 -28.4606 -28.4606 -28.3508 -28.3508 -28.3450 -28.3450 -8.4674 -8.4674 -8.4664 -8.4664 -7.5599 -7.5599 -7.5563 -7.5563 4.1107 4.1107 4.1161 4.1161 5.1791 5.1791 5.1798 5.1798 5.7916 5.7916 5.7918 5.7918 6.1821 6.1821 6.1871 6.1871 7.2283 7.2283 7.2322 7.2322 8.5052 8.5052 8.5099 8.5099 10.9675 10.9675 10.9762 10.9762 11.4730 11.4730 11.4780 11.4780 12.0696 12.0696 12.0793 12.0793 k = 0.0000 0.5000 0.1584 ( 2274 PWs) bands (ev): -54.9126 -54.9126 -54.9122 -54.9122 -29.2565 -29.2565 -29.2505 -29.2505 -28.4757 -28.4757 -28.4627 -28.4627 -28.3506 -28.3506 -28.3443 -28.3443 -8.4554 -8.4554 -8.4544 -8.4544 -7.5632 -7.5632 -7.5592 -7.5592 4.1313 4.1313 4.1372 4.1372 5.1403 5.1403 5.1408 5.1408 5.7968 5.7968 5.7971 5.7971 6.2174 6.2174 6.2235 6.2235 7.1745 7.1745 7.1789 7.1789 8.5068 8.5068 8.5118 8.5118 10.9807 10.9807 10.9901 10.9901 11.4835 11.4835 11.4887 11.4887 12.0645 12.0645 12.0753 12.0753 k = 0.0000 0.5000 0.1728 ( 2278 PWs) bands (ev): -54.9121 -54.9121 -54.9117 -54.9117 -29.2585 -29.2585 -29.2520 -29.2520 -28.4790 -28.4790 -28.4651 -28.4651 -28.3502 -28.3502 -28.3435 -28.3435 -8.4425 -8.4425 -8.4414 -8.4414 -7.5668 -7.5668 -7.5624 -7.5624 4.1535 4.1535 4.1600 4.1600 5.1028 5.1028 5.1031 5.1031 5.8012 5.8012 5.8020 5.8020 6.2491 6.2491 6.2564 6.2564 7.1221 7.1221 7.1271 7.1271 8.5066 8.5066 8.5117 8.5117 10.9938 10.9938 11.0039 11.0039 11.4947 11.4947 11.4999 11.4999 12.0594 12.0594 12.0713 12.0713 k = 0.0000 0.5000 0.1872 ( 2278 PWs) bands (ev): -54.9115 -54.9115 -54.9111 -54.9111 -29.2607 -29.2607 -29.2537 -29.2537 -28.4826 -28.4826 -28.4676 -28.4676 -28.3498 -28.3498 -28.3427 -28.3427 -8.4286 -8.4286 -8.4275 -8.4275 -7.5706 -7.5706 -7.5658 -7.5658 4.1772 4.1772 4.1842 4.1842 5.0668 5.0668 5.0670 5.0670 5.8047 5.8047 5.8061 5.8061 6.2759 6.2759 6.2847 6.2847 7.0729 7.0729 7.0786 7.0786 8.5045 8.5045 8.5098 8.5098 11.0065 11.0065 11.0173 11.0173 11.5065 11.5065 11.5117 11.5117 12.0545 12.0545 12.0676 12.0676 k = 0.0000 0.5000 0.2016 ( 2282 PWs) bands (ev): -54.9109 -54.9109 -54.9105 -54.9105 -29.2631 -29.2631 -29.2555 -29.2555 -28.4863 -28.4863 -28.4704 -28.4704 -28.3493 -28.3493 -28.3419 -28.3419 -8.4139 -8.4139 -8.4128 -8.4128 -7.5745 -7.5745 -7.5693 -7.5693 4.2023 4.2023 4.2098 4.2098 5.0324 5.0324 5.0325 5.0325 5.8069 5.8069 5.8090 5.8090 6.2968 6.2968 6.3072 6.3072 7.0287 7.0287 7.0351 7.0351 8.5004 8.5004 8.5058 8.5058 11.0185 11.0185 11.0299 11.0299 11.5189 11.5189 11.5239 11.5239 12.0499 12.0499 12.0641 12.0641 k = 0.0000 0.5000 0.2160 ( 2284 PWs) bands (ev): -54.9102 -54.9102 -54.9098 -54.9098 -29.2656 -29.2656 -29.2575 -29.2575 -28.4901 -28.4901 -28.4734 -28.4734 -28.3486 -28.3486 -28.3410 -28.3410 -8.3984 -8.3984 -8.3972 -8.3972 -7.5786 -7.5786 -7.5730 -7.5730 4.2286 4.2286 4.2366 4.2366 4.9998 4.9998 4.9999 4.9999 5.8073 5.8073 5.8101 5.8101 6.3105 6.3105 6.3227 6.3227 6.9913 6.9913 6.9985 6.9985 8.4945 8.4945 8.5000 8.5000 11.0295 11.0295 11.0415 11.0415 11.5317 11.5317 11.5364 11.5364 12.0457 12.0457 12.0611 12.0612 k = 0.0000 0.5000 0.2304 ( 2278 PWs) bands (ev): -54.9095 -54.9095 -54.9091 -54.9091 -29.2682 -29.2682 -29.2596 -29.2596 -28.4941 -28.4941 -28.4766 -28.4766 -28.3479 -28.3479 -28.3400 -28.3400 -8.3822 -8.3822 -8.3810 -8.3810 -7.5827 -7.5827 -7.5768 -7.5768 4.2560 4.2560 4.2645 4.2645 4.9690 4.9690 4.9693 4.9693 5.8052 5.8052 5.8088 5.8088 6.3162 6.3162 6.3303 6.3303 6.9625 6.9625 6.9706 6.9706 8.4868 8.4868 8.4923 8.4923 11.0392 11.0392 11.0517 11.0517 11.5448 11.5448 11.5493 11.5493 12.0422 12.0422 12.0588 12.0588 k = 0.0000 0.5000 0.2448 ( 2278 PWs) bands (ev): -54.9088 -54.9088 -54.9084 -54.9084 -29.2710 -29.2710 -29.2619 -29.2619 -28.4983 -28.4983 -28.4799 -28.4799 -28.3472 -28.3472 -28.3390 -28.3390 -8.3653 -8.3653 -8.3641 -8.3641 -7.5869 -7.5869 -7.5806 -7.5806 4.2842 4.2842 4.2931 4.2931 4.9403 4.9403 4.9407 4.9407 5.7999 5.7999 5.8043 5.8043 6.3138 6.3138 6.3297 6.3297 6.9436 6.9436 6.9523 6.9523 8.4773 8.4773 8.4829 8.4829 11.0474 11.0474 11.0603 11.0603 11.5583 11.5583 11.5623 11.5623 12.0393 12.0393 12.0571 12.0571 k = 0.0000 0.5000 0.2592 ( 2278 PWs) bands (ev): -54.9080 -54.9080 -54.9076 -54.9076 -29.2740 -29.2740 -29.2644 -29.2644 -28.5025 -28.5025 -28.4834 -28.4834 -28.3463 -28.3463 -28.3379 -28.3379 -8.3478 -8.3478 -8.3466 -8.3466 -7.5912 -7.5912 -7.5844 -7.5844 4.3130 4.3130 4.3223 4.3223 4.9138 4.9138 4.9144 4.9144 5.7904 5.7904 5.7958 5.7958 6.3046 6.3046 6.3221 6.3221 6.9345 6.9345 6.9436 6.9436 8.4662 8.4662 8.4718 8.4718 11.0537 11.0537 11.0670 11.0670 11.5719 11.5719 11.5754 11.5754 12.0373 12.0373 12.0563 12.0563 k = 0.0000 0.5000 0.2736 ( 2278 PWs) bands (ev): -54.9072 -54.9072 -54.9068 -54.9068 -29.2771 -29.2771 -29.2670 -29.2670 -28.5069 -28.5069 -28.4870 -28.4870 -28.3453 -28.3453 -28.3368 -28.3368 -8.3297 -8.3297 -8.3286 -8.3286 -7.5954 -7.5954 -7.5882 -7.5882 4.3420 4.3420 4.3517 4.3517 4.8897 4.8897 4.8904 4.8904 5.7760 5.7760 5.7822 5.7822 6.2905 6.2905 6.3094 6.3094 6.9343 6.9343 6.9436 6.9436 8.4535 8.4535 8.4592 8.4592 11.0580 11.0580 11.0716 11.0716 11.5857 11.5857 11.5885 11.5885 12.0363 12.0363 12.0564 12.0564 k = 0.0000 0.5000 0.2880 ( 2282 PWs) bands (ev): -54.9064 -54.9064 -54.9060 -54.9060 -29.2803 -29.2803 -29.2697 -29.2697 -28.5113 -28.5113 -28.4907 -28.4907 -28.3443 -28.3443 -28.3356 -28.3356 -8.3113 -8.3113 -8.3102 -8.3102 -7.5996 -7.5996 -7.5919 -7.5919 4.3709 4.3709 4.3809 4.3809 4.8681 4.8681 4.8691 4.8691 5.7559 5.7559 5.7627 5.7627 6.2743 6.2743 6.2942 6.2942 6.9415 6.9415 6.9507 6.9507 8.4395 8.4395 8.4451 8.4451 11.0601 11.0601 11.0739 11.0739 11.5994 11.5994 11.6016 11.6016 12.0363 12.0363 12.0575 12.0575 k = 0.0000 0.5000 0.3024 ( 2278 PWs) bands (ev): -54.9056 -54.9056 -54.9052 -54.9052 -29.2837 -29.2837 -29.2726 -29.2726 -28.5157 -28.5157 -28.4946 -28.4946 -28.3432 -28.3432 -28.3344 -28.3344 -8.2925 -8.2925 -8.2915 -8.2915 -7.6036 -7.6036 -7.5955 -7.5955 4.3993 4.3993 4.4095 4.4095 4.8493 4.8493 4.8504 4.8504 5.7296 5.7296 5.7369 5.7369 6.2585 6.2585 6.2790 6.2790 6.9542 6.9542 6.9632 6.9632 8.4243 8.4243 8.4298 8.4298 11.0598 11.0598 11.0738 11.0738 11.6131 11.6131 11.6146 11.6146 12.0374 12.0374 12.0597 12.0597 k = 0.0000 0.5000 0.3168 ( 2274 PWs) bands (ev): -54.9047 -54.9047 -54.9043 -54.9043 -29.2872 -29.2872 -29.2756 -29.2756 -28.5203 -28.5203 -28.4984 -28.4984 -28.3421 -28.3421 -28.3332 -28.3332 -8.2735 -8.2735 -8.2726 -8.2726 -7.6075 -7.6075 -7.5989 -7.5989 4.4266 4.4266 4.4370 4.4370 4.8333 4.8333 4.8347 4.8347 5.6973 5.6973 5.7047 5.7047 6.2449 6.2449 6.2658 6.2658 6.9707 6.9707 6.9795 6.9795 8.4079 8.4079 8.4134 8.4134 11.0570 11.0570 11.0712 11.0712 11.6267 11.6267 11.6275 11.6275 12.0397 12.0397 12.0629 12.0629 k = 0.0000 0.5000 0.3312 ( 2274 PWs) bands (ev): -54.9039 -54.9039 -54.9035 -54.9035 -29.2908 -29.2908 -29.2788 -29.2788 -28.5248 -28.5248 -28.5024 -28.5024 -28.3409 -28.3409 -28.3319 -28.3319 -8.2544 -8.2544 -8.2535 -8.2535 -7.6111 -7.6111 -7.6020 -7.6020 4.4523 4.4523 4.4626 4.4626 4.8202 4.8202 4.8220 4.8220 5.6599 5.6599 5.6671 5.6671 6.2345 6.2345 6.2554 6.2554 6.9898 6.9898 6.9982 6.9982 8.3906 8.3906 8.3960 8.3960 11.0518 11.0518 11.0660 11.0660 11.6399 11.6399 11.6401 11.6401 12.0431 12.0431 12.0672 12.0672 k = 0.0000 0.5000 0.3456 ( 2266 PWs) bands (ev): -54.9030 -54.9030 -54.9026 -54.9026 -29.2945 -29.2945 -29.2820 -29.2820 -28.5293 -28.5293 -28.5063 -28.5063 -28.3396 -28.3396 -28.3305 -28.3305 -8.2352 -8.2352 -8.2345 -8.2345 -7.6144 -7.6144 -7.6048 -7.6048 4.4758 4.4758 4.4860 4.4860 4.8102 4.8102 4.8123 4.8123 5.6186 5.6186 5.6253 5.6253 6.2276 6.2276 6.2484 6.2484 7.0103 7.0103 7.0184 7.0184 8.3725 8.3725 8.3777 8.3777 11.0440 11.0440 11.0583 11.0583 11.6522 11.6522 11.6531 11.6531 12.0477 12.0477 12.0726 12.0726 k = 0.0000 0.5000 0.3600 ( 2266 PWs) bands (ev): -54.9021 -54.9021 -54.9017 -54.9017 -29.2983 -29.2983 -29.2854 -29.2854 -28.5339 -28.5339 -28.5103 -28.5103 -28.3383 -28.3383 -28.3292 -28.3292 -8.2162 -8.2162 -8.2156 -8.2156 -7.6173 -7.6173 -7.6073 -7.6073 4.4965 4.4965 4.5064 4.5064 4.8028 4.8028 4.8054 4.8054 5.5751 5.5751 5.5811 5.5811 6.2238 6.2238 6.2443 6.2443 7.0316 7.0316 7.0394 7.0394 8.3537 8.3537 8.3587 8.3587 11.0337 11.0337 11.0480 11.0480 11.6641 11.6641 11.6657 11.6657 12.0533 12.0533 12.0789 12.0789 k = 0.0000 0.5000 0.3744 ( 2264 PWs) bands (ev): -54.9012 -54.9012 -54.9008 -54.9008 -29.3022 -29.3022 -29.2889 -29.2889 -28.5384 -28.5384 -28.5143 -28.5143 -28.3370 -28.3370 -28.3278 -28.3278 -8.1973 -8.1973 -8.1969 -8.1969 -7.6197 -7.6197 -7.6092 -7.6092 4.5142 4.5142 4.5236 4.5236 4.7975 4.7975 4.8005 4.8005 5.5315 5.5315 5.5365 5.5365 6.2226 6.2226 6.2428 6.2428 7.0530 7.0530 7.0604 7.0604 8.3344 8.3344 8.3392 8.3392 11.0210 11.0210 11.0353 11.0353 11.6754 11.6754 11.6778 11.6778 12.0599 12.0599 12.0861 12.0861 k = 0.0000 0.5000 0.3888 ( 2264 PWs) bands (ev): -54.9003 -54.9003 -54.8999 -54.8999 -29.3062 -29.3062 -29.2925 -29.2925 -28.5428 -28.5428 -28.5182 -28.5182 -28.3356 -28.3356 -28.3264 -28.3264 -8.1789 -8.1789 -8.1787 -8.1787 -7.6216 -7.6216 -7.6106 -7.6106 4.5288 4.5288 4.5375 4.5375 4.7930 4.7930 4.7964 4.7964 5.4899 5.4899 5.4937 5.4937 6.2235 6.2235 6.2434 6.2434 7.0742 7.0742 7.0812 7.0812 8.3147 8.3147 8.3193 8.3193 11.0060 11.0060 11.0202 11.0202 11.6862 11.6862 11.6894 11.6894 12.0675 12.0675 12.0942 12.0942 k = 0.0000 0.5000 0.4032 ( 2262 PWs) bands (ev): -54.8994 -54.8994 -54.8990 -54.8990 -29.3103 -29.3103 -29.2962 -29.2962 -28.5472 -28.5472 -28.5221 -28.5221 -28.3342 -28.3342 -28.3249 -28.3249 -8.1609 -8.1609 -8.1609 -8.1609 -7.6229 -7.6229 -7.6114 -7.6114 4.5405 4.5405 4.5485 4.5485 4.7878 4.7878 4.7911 4.7911 5.4528 5.4528 5.4549 5.4549 6.2259 6.2259 6.2455 6.2455 7.0948 7.0948 7.1014 7.1014 8.2949 8.2949 8.2992 8.2992 10.9889 10.9889 11.0030 11.0030 11.6963 11.6963 11.7003 11.7003 12.0760 12.0760 12.1031 12.1031 k = 0.0000 0.5000 0.4176 ( 2272 PWs) bands (ev): -54.8985 -54.8985 -54.8981 -54.8981 -29.3144 -29.3144 -29.2999 -29.2999 -28.5515 -28.5515 -28.5260 -28.5260 -28.3328 -28.3328 -28.3235 -28.3235 -8.1437 -8.1437 -8.1436 -8.1436 -7.6235 -7.6235 -7.6114 -7.6114 4.5498 4.5498 4.5571 4.5571 4.7795 4.7795 4.7826 4.7826 5.4221 5.4221 5.4224 5.4224 6.2294 6.2294 6.2487 6.2487 7.1145 7.1145 7.1208 7.1208 8.2751 8.2751 8.2791 8.2791 10.9696 10.9696 10.9836 10.9836 11.7057 11.7057 11.7104 11.7104 12.0851 12.0851 12.1125 12.1125 k = 0.0000 0.5000 0.4320 ( 2278 PWs) bands (ev): -54.8976 -54.8976 -54.8972 -54.8972 -29.3186 -29.3186 -29.3037 -29.3037 -28.5557 -28.5557 -28.5298 -28.5298 -28.3314 -28.3314 -28.3220 -28.3220 -8.1274 -8.1274 -8.1270 -8.1270 -7.6233 -7.6233 -7.6107 -7.6107 4.5574 4.5574 4.5640 4.5640 4.7661 4.7661 4.7686 4.7686 5.3982 5.3982 5.4000 5.4000 6.2335 6.2335 6.2526 6.2526 7.1333 7.1333 7.1391 7.1391 8.2555 8.2555 8.2591 8.2591 10.9485 10.9485 10.9624 10.9624 11.7143 11.7143 11.7198 11.7198 12.0949 12.0949 12.1226 12.1226 k = 0.0000 0.5000 0.4464 ( 2278 PWs) bands (ev): -54.8967 -54.8967 -54.8963 -54.8963 -29.3228 -29.3228 -29.3076 -29.3076 -28.5598 -28.5598 -28.5335 -28.5335 -28.3300 -28.3300 -28.3206 -28.3206 -8.1119 -8.1119 -8.1113 -8.1113 -7.6222 -7.6222 -7.6091 -7.6091 4.5638 4.5638 4.5699 4.5699 4.7461 4.7461 4.7478 4.7478 5.3833 5.3833 5.3874 5.3874 6.2381 6.2381 6.2569 6.2569 7.1509 7.1509 7.1563 7.1563 8.2363 8.2363 8.2394 8.2394 10.9257 10.9257 10.9395 10.9395 11.7221 11.7221 11.7282 11.7282 12.1052 12.1052 12.1330 12.1330 k = 0.0000 0.5000 0.4608 ( 2274 PWs) bands (ev): -54.8958 -54.8958 -54.8954 -54.8954 -29.3270 -29.3270 -29.3115 -29.3115 -28.5638 -28.5638 -28.5371 -28.5371 -28.3285 -28.3285 -28.3191 -28.3191 -8.0974 -8.0974 -8.0966 -8.0966 -7.6202 -7.6202 -7.6066 -7.6066 4.5697 4.5697 4.5753 4.5753 4.7190 4.7190 4.7196 4.7196 5.3780 5.3780 5.3845 5.3845 6.2430 6.2430 6.2615 6.2615 7.1672 7.1672 7.1721 7.1721 8.2176 8.2176 8.2202 8.2202 10.9014 10.9014 10.9151 10.9151 11.7289 11.7289 11.7358 11.7358 12.1160 12.1160 12.1439 12.1439 k = 0.0000 0.5000 0.4752 ( 2274 PWs) bands (ev): -54.8949 -54.8949 -54.8945 -54.8945 -29.3312 -29.3312 -29.3154 -29.3154 -28.5677 -28.5677 -28.5406 -28.5406 -28.3271 -28.3271 -28.3177 -28.3177 -8.0839 -8.0839 -8.0830 -8.0830 -7.6172 -7.6172 -7.6032 -7.6032 4.5755 4.5755 4.5806 4.5806 4.6847 4.6847 4.6851 4.6851 5.3816 5.3816 5.3903 5.3903 6.2480 6.2480 6.2663 6.2663 7.1820 7.1820 7.1863 7.1863 8.1997 8.1997 8.2018 8.2018 10.8757 10.8757 10.8893 10.8893 11.7348 11.7348 11.7424 11.7424 12.1270 12.1270 12.1549 12.1549 k = 0.0000 0.5000 0.4896 ( 2292 PWs) bands (ev): -54.8940 -54.8940 -54.8936 -54.8936 -29.3354 -29.3354 -29.3193 -29.3193 -28.5715 -28.5715 -28.5440 -28.5440 -28.3257 -28.3257 -28.3163 -28.3163 -8.0717 -8.0717 -8.0706 -8.0706 -7.6132 -7.6132 -7.5988 -7.5988 4.5813 4.5813 4.5860 4.5860 4.6446 4.6446 4.6458 4.6458 5.3924 5.3924 5.4031 5.4031 6.2532 6.2532 6.2713 6.2713 7.1953 7.1953 7.1990 7.1990 8.1828 8.1828 8.1843 8.1843 10.8489 10.8489 10.8624 10.8624 11.7398 11.7398 11.7480 11.7480 12.1383 12.1383 12.1662 12.1662 k = 0.0000 0.5000 0.5040 ( 2292 PWs) bands (ev): -54.8932 -54.8932 -54.8928 -54.8928 -29.3396 -29.3396 -29.3232 -29.3232 -28.5751 -28.5751 -28.5473 -28.5473 -28.3243 -28.3243 -28.3149 -28.3149 -8.0606 -8.0606 -8.0594 -8.0594 -7.6082 -7.6082 -7.5934 -7.5934 4.5850 4.5850 4.5883 4.5883 4.6041 4.6041 4.6049 4.6049 5.4087 5.4087 5.4213 5.4213 6.2587 6.2587 6.2764 6.2764 7.2067 7.2067 7.2098 7.2098 8.1671 8.1671 8.1679 8.1679 10.8212 10.8212 10.8346 10.8346 11.7437 11.7437 11.7526 11.7526 12.1498 12.1498 12.1775 12.1775 k = 0.0000 0.5000 0.5184 ( 2284 PWs) bands (ev): -54.8924 -54.8924 -54.8919 -54.8919 -29.3437 -29.3437 -29.3270 -29.3270 -28.5785 -28.5785 -28.5505 -28.5505 -28.3229 -28.3229 -28.3135 -28.3135 -8.0508 -8.0508 -8.0495 -8.0495 -7.6022 -7.6022 -7.5871 -7.5871 4.5506 4.5506 4.5525 4.5525 4.5981 4.5981 4.6017 4.6017 5.4289 5.4289 5.4431 5.4431 6.2646 6.2646 6.2820 6.2820 7.2163 7.2163 7.2186 7.2186 8.1528 8.1528 8.1530 8.1530 10.7928 10.7928 10.8061 10.8061 11.7468 11.7468 11.7562 11.7562 12.1613 12.1613 12.1889 12.1889 k = 0.0000 0.5000 0.5327 ( 2284 PWs) bands (ev): -54.8915 -54.8915 -54.8911 -54.8911 -29.3478 -29.3478 -29.3308 -29.3308 -28.5818 -28.5818 -28.5535 -28.5535 -28.3216 -28.3216 -28.3122 -28.3122 -8.0422 -8.0422 -8.0408 -8.0408 -7.5954 -7.5954 -7.5799 -7.5799 4.5023 4.5023 4.5050 4.5050 4.6056 4.6056 4.6091 4.6091 5.4512 5.4512 5.4670 5.4670 6.2711 6.2711 6.2882 6.2882 7.2237 7.2237 7.2252 7.2252 8.1395 8.1395 8.1402 8.1402 10.7638 10.7638 10.7771 10.7771 11.7488 11.7488 11.7588 11.7588 12.1727 12.1727 12.2002 12.2002 k = 0.0000 0.5000 0.5471 ( 2284 PWs) bands (ev): -54.8908 -54.8908 -54.8903 -54.8903 -29.3518 -29.3518 -29.3346 -29.3346 -28.5850 -28.5850 -28.5564 -28.5564 -28.3203 -28.3203 -28.3109 -28.3109 -8.0348 -8.0348 -8.0333 -8.0333 -7.5877 -7.5877 -7.5720 -7.5720 4.4532 4.4532 4.4562 4.4562 4.6145 4.6145 4.6178 4.6178 5.4745 5.4745 5.4916 5.4916 6.2785 6.2785 6.2952 6.2952 7.2288 7.2288 7.2295 7.2295 8.1278 8.1278 8.1293 8.1293 10.7344 10.7344 10.7477 10.7477 11.7500 11.7500 11.7606 11.7606 12.1841 12.1841 12.2114 12.2114 k = 0.0000 0.5000 0.5615 ( 2284 PWs) bands (ev): -54.8900 -54.8900 -54.8896 -54.8896 -29.3557 -29.3557 -29.3382 -29.3382 -28.5880 -28.5880 -28.5591 -28.5591 -28.3190 -28.3190 -28.3096 -28.3096 -8.0284 -8.0284 -8.0270 -8.0270 -7.5793 -7.5793 -7.5634 -7.5634 4.4042 4.4042 4.4075 4.4075 4.6245 4.6245 4.6275 4.6275 5.4976 5.4976 5.5160 5.5160 6.2872 6.2872 6.3035 6.3035 7.2313 7.2313 7.2315 7.2315 8.1181 8.1181 8.1203 8.1203 10.7049 10.7049 10.7181 10.7181 11.7503 11.7503 11.7614 11.7614 12.1953 12.1953 12.2224 12.2224 k = 0.0000 0.5000 0.5759 ( 2288 PWs) bands (ev): -54.8893 -54.8893 -54.8889 -54.8889 -29.3594 -29.3594 -29.3418 -29.3418 -28.5908 -28.5908 -28.5617 -28.5617 -28.3178 -28.3178 -28.3084 -28.3084 -8.0232 -8.0232 -8.0218 -8.0218 -7.5703 -7.5703 -7.5543 -7.5543 4.3560 4.3560 4.3595 4.3595 4.6353 4.6353 4.6381 4.6381 5.5195 5.5195 5.5392 5.5392 6.2974 6.2974 6.3134 6.3134 7.2305 7.2305 7.2316 7.2316 8.1103 8.1103 8.1134 8.1134 10.6754 10.6754 10.6886 10.6886 11.7499 11.7499 11.7615 11.7615 12.2062 12.2062 12.2331 12.2331 k = 0.0000 0.5000 0.5903 ( 2286 PWs) bands (ev): -54.8886 -54.8886 -54.8882 -54.8882 -29.3631 -29.3631 -29.3453 -29.3453 -28.5934 -28.5934 -28.5641 -28.5641 -28.3166 -28.3166 -28.3072 -28.3072 -8.0188 -8.0188 -8.0175 -8.0175 -7.5609 -7.5609 -7.5448 -7.5448 4.3091 4.3091 4.3128 4.3128 4.6469 4.6469 4.6495 4.6495 5.5395 5.5395 5.5603 5.5603 6.3096 6.3096 6.3251 6.3251 7.2271 7.2271 7.2290 7.2290 8.1046 8.1046 8.1085 8.1085 10.6463 10.6463 10.6595 10.6595 11.7487 11.7487 11.7609 11.7609 12.2169 12.2169 12.2435 12.2435 k = 0.0000 0.5000 0.6047 ( 2286 PWs) bands (ev): -54.8879 -54.8879 -54.8875 -54.8875 -29.3666 -29.3666 -29.3486 -29.3486 -28.5959 -28.5959 -28.5664 -28.5664 -28.3155 -28.3155 -28.3061 -28.3061 -8.0153 -8.0153 -8.0141 -8.0141 -7.5513 -7.5513 -7.5350 -7.5350 4.2640 4.2640 4.2678 4.2678 4.6592 4.6592 4.6615 4.6615 5.5570 5.5570 5.5790 5.5790 6.3240 6.3240 6.3391 6.3391 7.2209 7.2209 7.2236 7.2236 8.1009 8.1009 8.1057 8.1057 10.6176 10.6176 10.6308 10.6308 11.7470 11.7470 11.7596 11.7596 12.2271 12.2271 12.2536 12.2536 k = 0.0000 0.5000 0.6191 ( 2294 PWs) bands (ev): -54.8873 -54.8873 -54.8869 -54.8869 -29.3699 -29.3699 -29.3518 -29.3518 -28.5982 -28.5982 -28.5686 -28.5686 -28.3144 -28.3144 -28.3050 -28.3050 -8.0126 -8.0126 -8.0115 -8.0115 -7.5415 -7.5415 -7.5253 -7.5253 4.2210 4.2210 4.2249 4.2249 4.6721 4.6721 4.6741 4.6741 5.5716 5.5716 5.5946 5.5946 6.3407 6.3407 6.3555 6.3555 7.2120 7.2120 7.2155 7.2155 8.0992 8.0992 8.1047 8.1047 10.5896 10.5896 10.6028 10.6028 11.7448 11.7448 11.7578 11.7578 12.2369 12.2369 12.2631 12.2631 k = 0.0000 0.5000 0.6335 ( 2286 PWs) bands (ev): -54.8867 -54.8867 -54.8863 -54.8863 -29.3731 -29.3731 -29.3548 -29.3548 -28.6004 -28.6004 -28.5705 -28.5705 -28.3134 -28.3134 -28.3040 -28.3040 -8.0105 -8.0105 -8.0095 -8.0095 -7.5318 -7.5318 -7.5155 -7.5155 4.1803 4.1803 4.1843 4.1843 4.6855 4.6855 4.6872 4.6872 5.5831 5.5831 5.6071 5.6071 6.3599 6.3599 6.3744 6.3744 7.2006 7.2006 7.2048 7.2048 8.0993 8.0993 8.1056 8.1056 10.5625 10.5625 10.5757 10.5757 11.7422 11.7422 11.7557 11.7557 12.2462 12.2462 12.2722 12.2722 k = 0.0000 0.5000 0.6479 ( 2290 PWs) bands (ev): -54.8862 -54.8862 -54.8857 -54.8857 -29.3760 -29.3760 -29.3576 -29.3576 -28.6024 -28.6024 -28.5724 -28.5724 -28.3125 -28.3125 -28.3031 -28.3031 -8.0089 -8.0089 -8.0080 -8.0080 -7.5224 -7.5224 -7.5061 -7.5061 4.1422 4.1422 4.1463 4.1463 4.6991 4.6991 4.7004 4.7004 5.5915 5.5915 5.6164 5.6164 6.3814 6.3814 6.3957 6.3957 7.1867 7.1867 7.1916 7.1916 8.1010 8.1010 8.1079 8.1079 10.5365 10.5365 10.5497 10.5497 11.7393 11.7393 11.7532 11.7532 12.2549 12.2549 12.2808 12.2808 k = 0.0000 0.5000 0.6623 ( 2294 PWs) bands (ev): -54.8857 -54.8857 -54.8852 -54.8852 -29.3788 -29.3788 -29.3602 -29.3602 -28.6041 -28.6041 -28.5740 -28.5740 -28.3116 -28.3116 -28.3022 -28.3022 -8.0077 -8.0077 -8.0070 -8.0070 -7.5133 -7.5133 -7.4969 -7.4969 4.1069 4.1069 4.1110 4.1110 4.7127 4.7127 4.7138 4.7138 5.5969 5.5969 5.6226 5.6226 6.4051 6.4051 6.4192 6.4192 7.1707 7.1707 7.1761 7.1761 8.1041 8.1041 8.1116 8.1116 10.5119 10.5119 10.5251 10.5251 11.7362 11.7362 11.7504 11.7504 12.2631 12.2631 12.2888 12.2888 k = 0.0000 0.5000 0.6767 ( 2294 PWs) bands (ev): -54.8852 -54.8852 -54.8848 -54.8848 -29.3813 -29.3813 -29.3626 -29.3626 -28.6058 -28.6058 -28.5755 -28.5755 -28.3108 -28.3108 -28.3015 -28.3015 -8.0070 -8.0070 -8.0064 -8.0064 -7.5046 -7.5046 -7.4883 -7.4883 4.0744 4.0744 4.0786 4.0786 4.7262 4.7262 4.7269 4.7269 5.5997 5.5997 5.6261 5.6261 6.4305 6.4305 6.4445 6.4445 7.1528 7.1528 7.1587 7.1587 8.1082 8.1082 8.1162 8.1162 10.4888 10.4888 10.5020 10.5020 11.7331 11.7331 11.7476 11.7476 12.2706 12.2706 12.2961 12.2961 k = 0.0000 0.5000 0.6911 ( 2290 PWs) bands (ev): -54.8848 -54.8848 -54.8844 -54.8844 -29.3836 -29.3836 -29.3648 -29.3648 -28.6072 -28.6072 -28.5769 -28.5769 -28.3101 -28.3101 -28.3007 -28.3007 -8.0065 -8.0065 -8.0060 -8.0060 -7.4966 -7.4966 -7.4803 -7.4803 4.0451 4.0451 4.0493 4.0493 4.7394 4.7394 4.7397 4.7397 5.6003 5.6003 5.6274 5.6274 6.4573 6.4573 6.4712 6.4712 7.1334 7.1334 7.1397 7.1397 8.1130 8.1130 8.1214 8.1214 10.4674 10.4674 10.4807 10.4807 11.7300 11.7300 11.7448 11.7448 12.2775 12.2775 12.3028 12.3028 k = 0.0000 0.5000 0.7055 ( 2294 PWs) bands (ev): -54.8844 -54.8844 -54.8840 -54.8840 -29.3857 -29.3857 -29.3668 -29.3668 -28.6085 -28.6085 -28.5780 -28.5780 -28.3095 -28.3095 -28.3001 -28.3001 -8.0062 -8.0062 -8.0058 -8.0058 -7.4892 -7.4892 -7.4729 -7.4729 4.0189 4.0189 4.0232 4.0232 4.7519 4.7519 4.7519 4.7519 5.5991 5.5991 5.6267 5.6267 6.4846 6.4846 6.4986 6.4986 7.1130 7.1130 7.1195 7.1195 8.1181 8.1181 8.1269 8.1269 10.4480 10.4480 10.4613 10.4613 11.7270 11.7270 11.7421 11.7421 12.2836 12.2836 12.3088 12.3088 k = 0.0000 0.5000 0.7199 ( 2286 PWs) bands (ev): -54.8841 -54.8841 -54.8837 -54.8837 -29.3875 -29.3875 -29.3686 -29.3686 -28.6096 -28.6096 -28.5791 -28.5791 -28.3089 -28.3089 -28.2995 -28.2995 -8.0061 -8.0061 -8.0058 -8.0058 -7.4827 -7.4827 -7.4664 -7.4664 3.9961 3.9961 4.0003 4.0003 4.7632 4.7632 4.7635 4.7635 5.5966 5.5966 5.6248 5.6248 6.5120 6.5120 6.5261 6.5261 7.0921 7.0921 7.0988 7.0988 8.1234 8.1234 8.1325 8.1325 10.4308 10.4308 10.4441 10.4441 11.7242 11.7242 11.7395 11.7395 12.2889 12.2889 12.3140 12.3140 k = 0.0000 0.5000 0.7343 ( 2286 PWs) bands (ev): -54.8838 -54.8838 -54.8834 -54.8834 -29.3890 -29.3890 -29.3700 -29.3700 -28.6105 -28.6105 -28.5799 -28.5799 -28.3084 -28.3084 -28.2991 -28.2991 -8.0060 -8.0060 -8.0058 -8.0058 -7.4770 -7.4770 -7.4607 -7.4607 3.9766 3.9766 3.9809 3.9809 4.7733 4.7733 4.7739 4.7739 5.5935 5.5935 5.6222 5.6222 6.5384 6.5384 6.5527 6.5527 7.0714 7.0714 7.0782 7.0782 8.1284 8.1284 8.1377 8.1377 10.4158 10.4158 10.4292 10.4292 11.7217 11.7217 11.7372 11.7372 12.2935 12.2935 12.3185 12.3185 k = 0.0000 0.5000 0.7487 ( 2282 PWs) bands (ev): -54.8836 -54.8836 -54.8831 -54.8831 -29.3903 -29.3903 -29.3713 -29.3713 -28.6113 -28.6113 -28.5806 -28.5806 -28.3080 -28.3080 -28.2987 -28.2987 -8.0061 -8.0061 -8.0059 -8.0059 -7.4722 -7.4722 -7.4560 -7.4560 3.9606 3.9606 3.9648 3.9648 4.7820 4.7820 4.7829 4.7829 5.5902 5.5902 5.6192 5.6192 6.5628 6.5628 6.5773 6.5773 7.0518 7.0518 7.0586 7.0586 8.1328 8.1328 8.1424 8.1424 10.4034 10.4034 10.4168 10.4168 11.7196 11.7196 11.7352 11.7352 12.2973 12.2973 12.3222 12.3222 k = 0.0000 0.5000 0.7631 ( 2284 PWs) bands (ev): -54.8834 -54.8834 -54.8830 -54.8830 -29.3913 -29.3913 -29.3722 -29.3722 -28.6119 -28.6119 -28.5812 -28.5812 -28.3077 -28.3077 -28.2984 -28.2984 -8.0061 -8.0061 -8.0060 -8.0060 -7.4685 -7.4685 -7.4523 -7.4523 3.9480 3.9480 3.9523 3.9523 4.7890 4.7890 4.7901 4.7901 5.5870 5.5870 5.6164 5.6164 6.5841 6.5841 6.5988 6.5988 7.0345 7.0345 7.0411 7.0411 8.1366 8.1366 8.1463 8.1463 10.3936 10.3936 10.4070 10.4070 11.7179 11.7179 11.7336 11.7336 12.3003 12.3003 12.3251 12.3251 k = 0.0000 0.5000 0.7775 ( 2284 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3920 -29.3920 -29.3729 -29.3729 -28.6123 -28.6123 -28.5816 -28.5816 -28.3075 -28.3075 -28.2982 -28.2982 -8.0062 -8.0062 -8.0061 -8.0061 -7.4658 -7.4658 -7.4496 -7.4496 3.9391 3.9391 3.9434 3.9434 4.7942 4.7942 4.7955 4.7955 5.5845 5.5845 5.6141 5.6141 6.6008 6.6008 6.6158 6.6158 7.0206 7.0206 7.0272 7.0272 8.1394 8.1394 8.1492 8.1492 10.3865 10.3865 10.3999 10.3999 11.7166 11.7166 11.7324 11.7324 12.3024 12.3024 12.3272 12.3272 k = 0.0000 0.5000 0.7919 ( 2280 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3924 -29.3924 -29.3733 -29.3733 -28.6126 -28.6126 -28.5818 -28.5818 -28.3074 -28.3074 -28.2980 -28.2980 -8.0062 -8.0062 -8.0062 -8.0062 -7.4642 -7.4642 -7.4480 -7.4480 3.9337 3.9337 3.9380 3.9380 4.7974 4.7974 4.7988 4.7988 5.5829 5.5829 5.6126 5.6126 6.6116 6.6116 6.6268 6.6268 7.0116 7.0116 7.0180 7.0180 8.1411 8.1411 8.1510 8.1510 10.3822 10.3822 10.3956 10.3956 11.7159 11.7159 11.7317 11.7317 12.3037 12.3037 12.3285 12.3285 k = 0.0000 0.5000 0.8063 ( 2272 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3926 -29.3926 -29.3735 -29.3735 -28.6126 -28.6126 -28.5819 -28.5819 -28.3073 -28.3073 -28.2980 -28.2980 -8.0062 -8.0062 -8.0062 -8.0062 -7.4636 -7.4636 -7.4474 -7.4474 3.9319 3.9319 3.9362 3.9362 4.7985 4.7985 4.7999 4.7999 5.5824 5.5824 5.6121 5.6121 6.6154 6.6154 6.6306 6.6306 7.0084 7.0084 7.0148 7.0148 8.1417 8.1417 8.1516 8.1516 10.3808 10.3808 10.3942 10.3942 11.7156 11.7156 11.7315 11.7315 12.3042 12.3042 12.3290 12.3290 k = 0.5000 0.5000-0.0000 ( 2252 PWs) bands (ev): -54.9156 -54.9156 -54.9152 -54.9152 -29.2459 -29.2459 -29.2455 -29.2455 -28.4617 -28.4617 -28.4613 -28.4613 -28.3410 -28.3410 -28.3407 -28.3407 -8.5041 -8.5041 -8.5041 -8.5041 -7.5546 -7.5546 -7.5546 -7.5546 3.4215 3.4215 3.4216 3.4216 5.4072 5.4072 5.4073 5.4073 6.2360 6.2360 6.2360 6.2360 6.7974 6.7974 6.7974 6.7974 7.8958 7.8958 7.8958 7.8958 7.9656 7.9656 7.9656 7.9656 10.2498 10.2498 10.2500 10.2500 10.8906 10.8906 10.8909 10.8909 12.4266 12.4266 12.4268 12.4268 k = 0.5000 0.5000 0.0144 ( 2260 PWs) bands (ev): -54.9155 -54.9155 -54.9151 -54.9151 -29.2460 -29.2460 -29.2456 -29.2456 -28.4618 -28.4618 -28.4615 -28.4615 -28.3410 -28.3410 -28.3407 -28.3407 -8.5035 -8.5035 -8.5035 -8.5035 -7.5548 -7.5548 -7.5548 -7.5548 3.4225 3.4225 3.4225 3.4225 5.4018 5.4018 5.4019 5.4019 6.2421 6.2421 6.2421 6.2421 6.7980 6.7980 6.7980 6.7980 7.8942 7.8942 7.8942 7.8942 7.9619 7.9619 7.9619 7.9619 10.2521 10.2521 10.2523 10.2523 10.8912 10.8912 10.8914 10.8914 12.4258 12.4258 12.4261 12.4261 k = 0.5000 0.5000 0.0288 ( 2260 PWs) bands (ev): -54.9155 -54.9155 -54.9151 -54.9151 -29.2462 -29.2462 -29.2458 -29.2458 -28.4622 -28.4622 -28.4618 -28.4618 -28.3410 -28.3410 -28.3407 -28.3407 -8.5016 -8.5016 -8.5015 -8.5015 -7.5554 -7.5554 -7.5554 -7.5554 3.4253 3.4253 3.4254 3.4254 5.3862 5.3862 5.3863 5.3863 6.2601 6.2601 6.2601 6.2601 6.7998 6.7998 6.7999 6.7999 7.8894 7.8894 7.8894 7.8894 7.9512 7.9512 7.9512 7.9512 10.2587 10.2587 10.2589 10.2589 10.8929 10.8929 10.8932 10.8932 12.4235 12.4235 12.4238 12.4238 k = 0.5000 0.5000 0.0432 ( 2260 PWs) bands (ev): -54.9153 -54.9153 -54.9149 -54.9149 -29.2466 -29.2466 -29.2462 -29.2462 -28.4628 -28.4628 -28.4624 -28.4624 -28.3410 -28.3410 -28.3407 -28.3407 -8.4983 -8.4983 -8.4983 -8.4983 -7.5564 -7.5564 -7.5564 -7.5564 3.4300 3.4300 3.4301 3.4301 5.3617 5.3617 5.3617 5.3617 6.2887 6.2887 6.2887 6.2887 6.8029 6.8029 6.8030 6.8030 7.8811 7.8811 7.8811 7.8811 7.9338 7.9338 7.9338 7.9338 10.2697 10.2697 10.2699 10.2699 10.8959 10.8959 10.8962 10.8962 12.4197 12.4197 12.4200 12.4200 k = 0.5000 0.5000 0.0576 ( 2260 PWs) bands (ev): -54.9152 -54.9152 -54.9148 -54.9148 -29.2471 -29.2471 -29.2467 -29.2467 -28.4636 -28.4636 -28.4632 -28.4632 -28.3410 -28.3410 -28.3407 -28.3407 -8.4938 -8.4938 -8.4938 -8.4938 -7.5579 -7.5579 -7.5579 -7.5579 3.4366 3.4366 3.4366 3.4366 5.3298 5.3298 5.3299 5.3299 6.3261 6.3261 6.3261 6.3261 6.8073 6.8073 6.8073 6.8073 7.8683 7.8683 7.8683 7.8683 7.9111 7.9111 7.9111 7.9111 10.2847 10.2847 10.2849 10.2849 10.9000 10.9000 10.9003 10.9003 12.4144 12.4144 12.4146 12.4146 k = 0.5000 0.5000 0.0720 ( 2260 PWs) bands (ev): -54.9149 -54.9149 -54.9145 -54.9145 -29.2478 -29.2478 -29.2474 -29.2474 -28.4647 -28.4647 -28.4643 -28.4643 -28.3410 -28.3410 -28.3406 -28.3406 -8.4881 -8.4881 -8.4881 -8.4881 -7.5597 -7.5597 -7.5597 -7.5597 3.4450 3.4450 3.4450 3.4450 5.2924 5.2924 5.2925 5.2925 6.3707 6.3707 6.3707 6.3707 6.8128 6.8128 6.8129 6.8129 7.8485 7.8485 7.8485 7.8485 7.8859 7.8859 7.8859 7.8859 10.3034 10.3034 10.3036 10.3036 10.9053 10.9053 10.9056 10.9056 12.4075 12.4075 12.4078 12.4078 k = 0.5000 0.5000 0.0864 ( 2260 PWs) bands (ev): -54.9147 -54.9147 -54.9143 -54.9143 -29.2486 -29.2486 -29.2482 -29.2482 -28.4660 -28.4660 -28.4656 -28.4656 -28.3409 -28.3409 -28.3406 -28.3406 -8.4811 -8.4811 -8.4810 -8.4810 -7.5619 -7.5619 -7.5619 -7.5619 3.4552 3.4552 3.4553 3.4553 5.2509 5.2509 5.2510 5.2510 6.4208 6.4208 6.4208 6.4208 6.8196 6.8196 6.8197 6.8197 7.8179 7.8179 7.8179 7.8179 7.8625 7.8625 7.8625 7.8625 10.3256 10.3256 10.3258 10.3258 10.9117 10.9117 10.9120 10.9120 12.3992 12.3992 12.3994 12.3994 k = 0.5000 0.5000 0.1008 ( 2260 PWs) bands (ev): -54.9143 -54.9143 -54.9139 -54.9139 -29.2496 -29.2496 -29.2492 -29.2492 -28.4675 -28.4675 -28.4671 -28.4671 -28.3409 -28.3409 -28.3405 -28.3405 -8.4728 -8.4728 -8.4728 -8.4728 -7.5645 -7.5645 -7.5645 -7.5645 3.4672 3.4672 3.4673 3.4673 5.2067 5.2067 5.2068 5.2068 6.4752 6.4752 6.4752 6.4752 6.8276 6.8276 6.8277 6.8277 7.7771 7.7771 7.7771 7.7771 7.8409 7.8409 7.8409 7.8409 10.3508 10.3508 10.3510 10.3510 10.9191 10.9191 10.9194 10.9194 12.3893 12.3893 12.3896 12.3896 k = 0.5000 0.5000 0.1152 ( 2260 PWs) bands (ev): -54.9140 -54.9140 -54.9136 -54.9136 -29.2507 -29.2507 -29.2503 -29.2503 -28.4693 -28.4693 -28.4689 -28.4689 -28.3408 -28.3408 -28.3404 -28.3404 -8.4634 -8.4634 -8.4633 -8.4633 -7.5675 -7.5675 -7.5675 -7.5675 3.4810 3.4810 3.4810 3.4810 5.1606 5.1606 5.1607 5.1607 6.5328 6.5328 6.5328 6.5328 6.8368 6.8368 6.8369 6.8369 7.7288 7.7288 7.7288 7.7288 7.8190 7.8190 7.8190 7.8190 10.3787 10.3787 10.3789 10.3789 10.9276 10.9276 10.9279 10.9279 12.3780 12.3780 12.3783 12.3783 k = 0.5000 0.5000 0.1296 ( 2264 PWs) bands (ev): -54.9136 -54.9136 -54.9131 -54.9131 -29.2520 -29.2520 -29.2516 -29.2516 -28.4712 -28.4712 -28.4709 -28.4709 -28.3406 -28.3406 -28.3403 -28.3403 -8.4527 -8.4527 -8.4527 -8.4527 -7.5709 -7.5709 -7.5709 -7.5709 3.4964 3.4964 3.4965 3.4965 5.1135 5.1135 5.1136 5.1136 6.5929 6.5929 6.5929 6.5929 6.8472 6.8472 6.8472 6.8472 7.6748 7.6748 7.6748 7.6748 7.7956 7.7956 7.7956 7.7956 10.4088 10.4088 10.4090 10.4090 10.9372 10.9372 10.9374 10.9374 12.3652 12.3652 12.3655 12.3655 k = 0.5000 0.5000 0.1440 ( 2252 PWs) bands (ev): -54.9131 -54.9131 -54.9127 -54.9127 -29.2534 -29.2534 -29.2530 -29.2530 -28.4735 -28.4735 -28.4731 -28.4731 -28.3405 -28.3405 -28.3401 -28.3401 -8.4409 -8.4409 -8.4409 -8.4409 -7.5747 -7.5747 -7.5746 -7.5746 3.5136 3.5136 3.5136 3.5136 5.0660 5.0660 5.0661 5.0661 6.6548 6.6548 6.6548 6.6548 6.8587 6.8587 6.8588 6.8588 7.6159 7.6159 7.6160 7.6160 7.7702 7.7702 7.7702 7.7702 10.4410 10.4410 10.4412 10.4412 10.9477 10.9477 10.9480 10.9480 12.3511 12.3511 12.3513 12.3513 k = 0.5000 0.5000 0.1584 ( 2252 PWs) bands (ev): -54.9126 -54.9126 -54.9122 -54.9122 -29.2550 -29.2550 -29.2546 -29.2546 -28.4759 -28.4759 -28.4755 -28.4755 -28.3402 -28.3402 -28.3399 -28.3399 -8.4280 -8.4280 -8.4280 -8.4280 -7.5787 -7.5787 -7.5787 -7.5787 3.5323 3.5323 3.5324 3.5324 5.0185 5.0185 5.0185 5.0185 6.7178 6.7178 6.7179 6.7179 6.8714 6.8714 6.8715 6.8715 7.5531 7.5531 7.5531 7.5531 7.7428 7.7428 7.7428 7.7428 10.4747 10.4747 10.4749 10.4749 10.9590 10.9590 10.9593 10.9593 12.3354 12.3354 12.3357 12.3357 k = 0.5000 0.5000 0.1728 ( 2252 PWs) bands (ev): -54.9120 -54.9120 -54.9116 -54.9116 -29.2567 -29.2567 -29.2563 -29.2563 -28.4785 -28.4785 -28.4782 -28.4782 -28.3400 -28.3400 -28.3396 -28.3396 -8.4140 -8.4140 -8.4140 -8.4140 -7.5832 -7.5832 -7.5832 -7.5832 3.5526 3.5526 3.5526 3.5526 4.9713 4.9713 4.9714 4.9714 6.7817 6.7817 6.7817 6.7817 6.8853 6.8853 6.8853 6.8853 7.4867 7.4867 7.4867 7.4867 7.7134 7.7134 7.7135 7.7135 10.5098 10.5098 10.5099 10.5099 10.9713 10.9713 10.9716 10.9716 12.3185 12.3185 12.3187 12.3187 k = 0.5000 0.5000 0.1872 ( 2252 PWs) bands (ev): -54.9114 -54.9114 -54.9110 -54.9110 -29.2586 -29.2586 -29.2582 -29.2582 -28.4814 -28.4814 -28.4810 -28.4810 -28.3396 -28.3396 -28.3393 -28.3393 -8.3990 -8.3990 -8.3990 -8.3990 -7.5880 -7.5880 -7.5879 -7.5879 3.5743 3.5743 3.5744 3.5744 4.9249 4.9249 4.9249 4.9249 6.8459 6.8459 6.8459 6.8459 6.9003 6.9003 6.9004 6.9004 7.4173 7.4173 7.4174 7.4174 7.6822 7.6822 7.6822 7.6822 10.5459 10.5459 10.5461 10.5461 10.9843 10.9843 10.9846 10.9846 12.3001 12.3001 12.3004 12.3004 k = 0.5000 0.5000 0.2016 ( 2252 PWs) bands (ev): -54.9108 -54.9108 -54.9104 -54.9104 -29.2607 -29.2607 -29.2603 -29.2603 -28.4844 -28.4844 -28.4840 -28.4840 -28.3392 -28.3392 -28.3389 -28.3389 -8.3830 -8.3830 -8.3829 -8.3829 -7.5931 -7.5931 -7.5930 -7.5930 3.5975 3.5975 3.5975 3.5975 4.8793 4.8793 4.8794 4.8794 6.9087 6.9087 6.9088 6.9088 6.9178 6.9178 6.9179 6.9179 7.3454 7.3454 7.3454 7.3454 7.6491 7.6491 7.6491 7.6491 10.5829 10.5829 10.5830 10.5830 10.9981 10.9981 10.9983 10.9983 12.2805 12.2805 12.2807 12.2807 k = 0.5000 0.5000 0.2160 ( 2252 PWs) bands (ev): -54.9102 -54.9102 -54.9098 -54.9098 -29.2629 -29.2629 -29.2625 -29.2625 -28.4876 -28.4876 -28.4872 -28.4872 -28.3388 -28.3388 -28.3384 -28.3384 -8.3660 -8.3660 -8.3659 -8.3659 -7.5985 -7.5985 -7.5984 -7.5984 3.6220 3.6220 3.6220 3.6220 4.8349 4.8349 4.8349 4.8349 6.9329 6.9329 6.9329 6.9329 6.9747 6.9747 6.9747 6.9747 7.2714 7.2714 7.2714 7.2714 7.6145 7.6145 7.6145 7.6145 10.6205 10.6205 10.6207 10.6207 11.0125 11.0125 11.0128 11.0128 12.2595 12.2595 12.2598 12.2598 k = 0.5000 0.5000 0.2304 ( 2260 PWs) bands (ev): -54.9095 -54.9095 -54.9091 -54.9091 -29.2652 -29.2652 -29.2648 -29.2648 -28.4910 -28.4910 -28.4906 -28.4906 -28.3382 -28.3382 -28.3379 -28.3379 -8.3480 -8.3480 -8.3480 -8.3480 -7.6041 -7.6041 -7.6041 -7.6041 3.6477 3.6477 3.6477 3.6477 4.7917 4.7917 4.7917 4.7917 6.9511 6.9511 6.9512 6.9512 7.0376 7.0376 7.0376 7.0376 7.1957 7.1957 7.1957 7.1957 7.5786 7.5786 7.5787 7.5787 10.6585 10.6585 10.6587 10.6587 11.0275 11.0275 11.0278 11.0278 12.2373 12.2373 12.2376 12.2376 k = 0.5000 0.5000 0.2448 ( 2268 PWs) bands (ev): -54.9088 -54.9088 -54.9083 -54.9083 -29.2677 -29.2677 -29.2673 -29.2673 -28.4945 -28.4945 -28.4941 -28.4941 -28.3376 -28.3376 -28.3373 -28.3373 -8.3293 -8.3293 -8.3292 -8.3292 -7.6101 -7.6101 -7.6101 -7.6101 3.6745 3.6745 3.6746 3.6746 4.7499 4.7499 4.7499 4.7499 6.9703 6.9703 6.9703 6.9703 7.0977 7.0977 7.0977 7.0977 7.1202 7.1202 7.1202 7.1202 7.5420 7.5420 7.5421 7.5421 10.6969 10.6969 10.6971 10.6971 11.0431 11.0431 11.0434 11.0434 12.2139 12.2139 12.2142 12.2142 k = 0.5000 0.5000 0.2592 ( 2268 PWs) bands (ev): -54.9080 -54.9080 -54.9076 -54.9076 -29.2703 -29.2703 -29.2699 -29.2699 -28.4981 -28.4981 -28.4977 -28.4977 -28.3370 -28.3370 -28.3366 -28.3366 -8.3097 -8.3097 -8.3096 -8.3096 -7.6163 -7.6163 -7.6163 -7.6163 3.7025 3.7025 3.7025 3.7025 4.7095 4.7095 4.7096 4.7096 6.9902 6.9902 6.9903 6.9903 7.0399 7.0399 7.0399 7.0399 7.1591 7.1591 7.1591 7.1591 7.5057 7.5057 7.5057 7.5057 10.7356 10.7356 10.7358 10.7358 11.0592 11.0592 11.0594 11.0594 12.1894 12.1894 12.1896 12.1896 k = 0.5000 0.5000 0.2736 ( 2260 PWs) bands (ev): -54.9072 -54.9072 -54.9068 -54.9068 -29.2731 -29.2731 -29.2727 -29.2727 -28.5018 -28.5018 -28.5015 -28.5015 -28.3363 -28.3363 -28.3359 -28.3359 -8.2893 -8.2893 -8.2893 -8.2893 -7.6228 -7.6228 -7.6228 -7.6228 3.7313 3.7313 3.7313 3.7313 4.6708 4.6708 4.6708 4.6708 6.9608 6.9608 6.9609 6.9609 7.0116 7.0116 7.0117 7.0117 7.2134 7.2134 7.2134 7.2134 7.4719 7.4719 7.4719 7.4719 10.7743 10.7743 10.7745 10.7745 11.0756 11.0756 11.0759 11.0759 12.1637 12.1637 12.1640 12.1640 k = 0.5000 0.5000 0.2880 ( 2260 PWs) bands (ev): -54.9064 -54.9064 -54.9060 -54.9060 -29.2760 -29.2760 -29.2756 -29.2756 -28.5057 -28.5057 -28.5053 -28.5053 -28.3355 -28.3355 -28.3351 -28.3351 -8.2683 -8.2683 -8.2682 -8.2682 -7.6294 -7.6294 -7.6294 -7.6294 3.7609 3.7609 3.7610 3.7610 4.6337 4.6337 4.6338 4.6338 6.8817 6.8817 6.8817 6.8817 7.0334 7.0334 7.0335 7.0335 7.2569 7.2569 7.2570 7.2570 7.4466 7.4466 7.4467 7.4467 10.8130 10.8130 10.8132 10.8132 11.0925 11.0925 11.0927 11.0927 12.1370 12.1370 12.1372 12.1372 k = 0.5000 0.5000 0.3024 ( 2260 PWs) bands (ev): -54.9056 -54.9056 -54.9052 -54.9052 -29.2791 -29.2791 -29.2787 -29.2787 -28.5096 -28.5096 -28.5092 -28.5092 -28.3346 -28.3346 -28.3343 -28.3343 -8.2466 -8.2466 -8.2466 -8.2466 -7.6363 -7.6363 -7.6363 -7.6363 3.7913 3.7913 3.7913 3.7913 4.5984 4.5984 4.5984 4.5984 6.8024 6.8024 6.8024 6.8024 7.0562 7.0562 7.0562 7.0562 7.2760 7.2760 7.2760 7.2760 7.4435 7.4435 7.4436 7.4436 10.8517 10.8517 10.8519 10.8519 11.1096 11.1096 11.1098 11.1098 12.1092 12.1092 12.1095 12.1095 k = 0.5000 0.5000 0.3168 ( 2260 PWs) bands (ev): -54.9047 -54.9047 -54.9043 -54.9043 -29.2823 -29.2823 -29.2819 -29.2819 -28.5136 -28.5136 -28.5132 -28.5132 -28.3337 -28.3337 -28.3333 -28.3333 -8.2243 -8.2243 -8.2243 -8.2243 -7.6434 -7.6434 -7.6434 -7.6434 3.8222 3.8222 3.8222 3.8222 4.5648 4.5648 4.5648 4.5648 6.7232 6.7232 6.7233 6.7233 7.0797 7.0797 7.0798 7.0798 7.2627 7.2627 7.2627 7.2627 7.4705 7.4705 7.4705 7.4705 10.8902 10.8902 10.8904 10.8904 11.1269 11.1269 11.1272 11.1272 12.0806 12.0806 12.0808 12.0808 k = 0.5000 0.5000 0.3312 ( 2260 PWs) bands (ev): -54.9039 -54.9039 -54.9034 -54.9034 -29.2856 -29.2856 -29.2852 -29.2852 -28.5176 -28.5176 -28.5172 -28.5172 -28.3327 -28.3327 -28.3324 -28.3324 -8.2015 -8.2015 -8.2015 -8.2015 -7.6506 -7.6506 -7.6506 -7.6506 3.8535 3.8535 3.8535 3.8535 4.5330 4.5330 4.5330 4.5330 6.6445 6.6445 6.6446 6.6446 7.1040 7.1040 7.1041 7.1041 7.2297 7.2297 7.2297 7.2297 7.5148 7.5148 7.5148 7.5148 10.9285 10.9285 10.9287 10.9287 11.1444 11.1444 11.1446 11.1446 12.0510 12.0510 12.0512 12.0512 k = 0.5000 0.5000 0.3456 ( 2272 PWs) bands (ev): -54.9030 -54.9030 -54.9026 -54.9026 -29.2890 -29.2890 -29.2886 -29.2886 -28.5217 -28.5217 -28.5213 -28.5213 -28.3317 -28.3317 -28.3314 -28.3314 -8.1783 -8.1783 -8.1783 -8.1783 -7.6579 -7.6579 -7.6579 -7.6579 3.8850 3.8850 3.8851 3.8851 4.5030 4.5030 4.5030 4.5030 6.5666 6.5666 6.5666 6.5666 7.1290 7.1290 7.1291 7.1291 7.1883 7.1883 7.1883 7.1883 7.5652 7.5652 7.5652 7.5652 10.9666 10.9666 10.9668 10.9668 11.1620 11.1620 11.1622 11.1622 12.0206 12.0206 12.0208 12.0208 k = 0.5000 0.5000 0.3600 ( 2272 PWs) bands (ev): -54.9021 -54.9021 -54.9017 -54.9017 -29.2925 -29.2925 -29.2921 -29.2921 -28.5257 -28.5257 -28.5253 -28.5253 -28.3307 -28.3307 -28.3303 -28.3303 -8.1547 -8.1547 -8.1547 -8.1547 -7.6654 -7.6654 -7.6654 -7.6654 3.9167 3.9167 3.9167 3.9167 4.4749 4.4749 4.4749 4.4749 6.4897 6.4897 6.4898 6.4898 7.1424 7.1424 7.1424 7.1424 7.1553 7.1553 7.1554 7.1554 7.6173 7.6173 7.6173 7.6173 11.0043 11.0043 11.0045 11.0045 11.1796 11.1796 11.1799 11.1799 11.9894 11.9894 11.9897 11.9897 k = 0.5000 0.5000 0.3744 ( 2288 PWs) bands (ev): -54.9012 -54.9012 -54.9008 -54.9008 -29.2962 -29.2962 -29.2958 -29.2958 -28.5298 -28.5298 -28.5294 -28.5294 -28.3296 -28.3296 -28.3292 -28.3292 -8.1309 -8.1309 -8.1308 -8.1308 -7.6729 -7.6729 -7.6729 -7.6729 3.9483 3.9483 3.9483 3.9483 4.4487 4.4487 4.4487 4.4487 6.4141 6.4141 6.4141 6.4141 7.0951 7.0951 7.0951 7.0951 7.1812 7.1812 7.1813 7.1813 7.6693 7.6693 7.6693 7.6693 11.0417 11.0417 11.0419 11.0419 11.1972 11.1972 11.1975 11.1975 11.9576 11.9576 11.9579 11.9579 k = 0.5000 0.5000 0.3888 ( 2280 PWs) bands (ev): -54.9003 -54.9003 -54.8999 -54.8999 -29.2999 -29.2999 -29.2995 -29.2995 -28.5338 -28.5338 -28.5334 -28.5334 -28.3284 -28.3284 -28.3281 -28.3281 -8.1067 -8.1067 -8.1067 -8.1067 -7.6806 -7.6806 -7.6805 -7.6805 3.9796 3.9796 3.9797 3.9797 4.4243 4.4243 4.4243 4.4243 6.3400 6.3400 6.3401 6.3401 7.0460 7.0460 7.0460 7.0460 7.2080 7.2080 7.2081 7.2081 7.7206 7.7206 7.7206 7.7206 11.0786 11.0786 11.0788 11.0788 11.2149 11.2149 11.2152 11.2152 11.9252 11.9252 11.9255 11.9255 k = 0.5000 0.5000 0.4032 ( 2280 PWs) bands (ev): -54.8994 -54.8994 -54.8990 -54.8990 -29.3037 -29.3037 -29.3033 -29.3033 -28.5378 -28.5378 -28.5374 -28.5374 -28.3273 -28.3273 -28.3269 -28.3269 -8.0824 -8.0824 -8.0824 -8.0824 -7.6882 -7.6882 -7.6882 -7.6882 4.0105 4.0105 4.0105 4.0105 4.4018 4.4018 4.4019 4.4019 6.2678 6.2678 6.2678 6.2678 6.9960 6.9960 6.9960 6.9960 7.2354 7.2354 7.2354 7.2354 7.7707 7.7707 7.7707 7.7707 11.1150 11.1150 11.1152 11.1152 11.2325 11.2325 11.2328 11.2328 11.8923 11.8923 11.8925 11.8925 k = 0.5000 0.5000 0.4176 ( 2280 PWs) bands (ev): -54.8985 -54.8985 -54.8981 -54.8981 -29.3076 -29.3076 -29.3072 -29.3072 -28.5417 -28.5417 -28.5413 -28.5413 -28.3261 -28.3261 -28.3257 -28.3257 -8.0581 -8.0581 -8.0581 -8.0581 -7.6959 -7.6959 -7.6959 -7.6959 4.0407 4.0407 4.0408 4.0408 4.3812 4.3812 4.3812 4.3812 6.1976 6.1976 6.1977 6.1977 6.9453 6.9453 6.9453 6.9453 7.2631 7.2631 7.2632 7.2632 7.8193 7.8193 7.8193 7.8193 11.1508 11.1508 11.1510 11.1510 11.2501 11.2501 11.2504 11.2504 11.8589 11.8589 11.8592 11.8592 k = 0.5000 0.5000 0.4320 ( 2264 PWs) bands (ev): -54.8975 -54.8975 -54.8971 -54.8971 -29.3115 -29.3115 -29.3111 -29.3111 -28.5455 -28.5455 -28.5451 -28.5451 -28.3249 -28.3249 -28.3245 -28.3245 -8.0337 -8.0337 -8.0337 -8.0337 -7.7035 -7.7035 -7.7035 -7.7035 4.0701 4.0701 4.0702 4.0702 4.3625 4.3625 4.3625 4.3625 6.1298 6.1298 6.1298 6.1298 6.8942 6.8942 6.8942 6.8942 7.2912 7.2912 7.2912 7.2912 7.8663 7.8663 7.8663 7.8663 11.1859 11.1859 11.1861 11.1861 11.2678 11.2678 11.2680 11.2680 11.8252 11.8252 11.8255 11.8255 k = 0.5000 0.5000 0.4464 ( 2288 PWs) bands (ev): -54.8967 -54.8967 -54.8962 -54.8962 -29.3154 -29.3154 -29.3150 -29.3150 -28.5493 -28.5493 -28.5489 -28.5489 -28.3237 -28.3237 -28.3233 -28.3233 -8.0094 -8.0094 -8.0094 -8.0094 -7.7112 -7.7112 -7.7112 -7.7112 4.0984 4.0984 4.0984 4.0984 4.3455 4.3455 4.3455 4.3455 6.0645 6.0645 6.0645 6.0645 6.8429 6.8429 6.8429 6.8429 7.3195 7.3195 7.3195 7.3195 7.9115 7.9115 7.9115 7.9115 11.2198 11.2198 11.2201 11.2201 11.2856 11.2856 11.2859 11.2859 11.7913 11.7913 11.7915 11.7915 k = 0.5000 0.5000 0.4608 ( 2288 PWs) bands (ev): -54.8958 -54.8958 -54.8954 -54.8954 -29.3194 -29.3194 -29.3190 -29.3190 -28.5529 -28.5529 -28.5525 -28.5525 -28.3225 -28.3225 -28.3221 -28.3221 -7.9852 -7.9852 -7.9852 -7.9852 -7.7188 -7.7188 -7.7188 -7.7188 4.1254 4.1254 4.1254 4.1254 4.3303 4.3303 4.3303 4.3303 6.0020 6.0020 6.0021 6.0021 6.7916 6.7916 6.7916 6.7916 7.3480 7.3480 7.3480 7.3480 7.9549 7.9549 7.9550 7.9550 11.2523 11.2523 11.2525 11.2526 11.3041 11.3041 11.3043 11.3043 11.7572 11.7572 11.7574 11.7574 k = 0.5000 0.5000 0.4752 ( 2296 PWs) bands (ev): -54.8949 -54.8949 -54.8945 -54.8945 -29.3234 -29.3234 -29.3230 -29.3230 -28.5565 -28.5565 -28.5561 -28.5561 -28.3213 -28.3213 -28.3209 -28.3209 -7.9613 -7.9613 -7.9613 -7.9613 -7.7263 -7.7263 -7.7263 -7.7263 4.1509 4.1509 4.1509 4.1509 4.3169 4.3169 4.3169 4.3169 5.9427 5.9427 5.9428 5.9428 6.7404 6.7404 6.7404 6.7404 7.3766 7.3766 7.3766 7.3766 7.9965 7.9965 7.9965 7.9965 11.2823 11.2823 11.2825 11.2825 11.3241 11.3241 11.3243 11.3243 11.7230 11.7230 11.7233 11.7233 k = 0.5000 0.5000 0.4896 ( 2296 PWs) bands (ev): -54.8940 -54.8940 -54.8936 -54.8936 -29.3274 -29.3274 -29.3270 -29.3270 -28.5599 -28.5599 -28.5595 -28.5595 -28.3201 -28.3201 -28.3197 -28.3197 -7.9377 -7.9377 -7.9377 -7.9377 -7.7337 -7.7337 -7.7337 -7.7337 4.1746 4.1746 4.1746 4.1746 4.3053 4.3053 4.3053 4.3053 5.8867 5.8867 5.8867 5.8867 6.6896 6.6896 6.6896 6.6896 7.4052 7.4052 7.4052 7.4052 8.0362 8.0362 8.0362 8.0362 11.3084 11.3084 11.3086 11.3086 11.3469 11.3469 11.3471 11.3471 11.6890 11.6890 11.6893 11.6893 k = 0.5000 0.5000 0.5040 ( 2288 PWs) bands (ev): -54.8932 -54.8932 -54.8928 -54.8928 -29.3314 -29.3314 -29.3310 -29.3310 -28.5632 -28.5632 -28.5629 -28.5629 -28.3188 -28.3188 -28.3185 -28.3185 -7.9144 -7.9144 -7.9144 -7.9144 -7.7409 -7.7409 -7.7409 -7.7409 4.1963 4.1963 4.1963 4.1963 4.2953 4.2953 4.2953 4.2953 5.8342 5.8342 5.8343 5.8343 6.6392 6.6392 6.6392 6.6392 7.4337 7.4337 7.4337 7.4337 8.0739 8.0739 8.0739 8.0739 11.3299 11.3299 11.3302 11.3302 11.3731 11.3731 11.3733 11.3733 11.6553 11.6553 11.6555 11.6555 k = 0.5000 0.5000 0.5184 ( 2296 PWs) bands (ev): -54.8923 -54.8923 -54.8919 -54.8919 -29.3354 -29.3354 -29.3350 -29.3350 -28.5664 -28.5664 -28.5660 -28.5660 -28.3177 -28.3177 -28.3173 -28.3173 -7.8916 -7.8916 -7.8916 -7.8916 -7.7480 -7.7480 -7.7480 -7.7480 4.2158 4.2158 4.2158 4.2158 4.2869 4.2869 4.2869 4.2869 5.7855 5.7855 5.7855 5.7855 6.5895 6.5895 6.5895 6.5895 7.4620 7.4620 7.4620 7.4620 8.1097 8.1097 8.1097 8.1097 11.3480 11.3480 11.3483 11.3483 11.4013 11.4013 11.4016 11.4016 11.6218 11.6218 11.6221 11.6221 k = 0.5000 0.5000 0.5327 ( 2308 PWs) bands (ev): -54.8915 -54.8915 -54.8911 -54.8911 -29.3392 -29.3392 -29.3389 -29.3389 -28.5695 -28.5695 -28.5691 -28.5691 -28.3165 -28.3165 -28.3161 -28.3161 -7.8694 -7.8694 -7.8694 -7.8694 -7.7549 -7.7549 -7.7549 -7.7549 4.2328 4.2328 4.2329 4.2329 4.2802 4.2802 4.2802 4.2802 5.7406 5.7406 5.7407 5.7407 6.5405 6.5405 6.5405 6.5405 7.4900 7.4900 7.4901 7.4901 8.1434 8.1434 8.1434 8.1434 11.3640 11.3640 11.3643 11.3643 11.4301 11.4301 11.4304 11.4304 11.5890 11.5890 11.5893 11.5893 k = 0.5000 0.5000 0.5471 ( 2308 PWs) bands (ev): -54.8908 -54.8908 -54.8903 -54.8903 -29.3431 -29.3431 -29.3427 -29.3427 -28.5724 -28.5724 -28.5720 -28.5720 -28.3154 -28.3154 -28.3150 -28.3150 -7.8479 -7.8479 -7.8478 -7.8478 -7.7615 -7.7615 -7.7615 -7.7615 4.2471 4.2471 4.2471 4.2471 4.2753 4.2753 4.2753 4.2753 5.6998 5.6998 5.6999 5.6999 6.4926 6.4926 6.4926 6.4926 7.5176 7.5176 7.5177 7.5177 8.1752 8.1752 8.1752 8.1752 11.3788 11.3788 11.3790 11.3790 11.4585 11.4585 11.4587 11.4587 11.5571 11.5571 11.5574 11.5574 k = 0.5000 0.5000 0.5615 ( 2316 PWs) bands (ev): -54.8900 -54.8900 -54.8896 -54.8896 -29.3468 -29.3468 -29.3464 -29.3464 -28.5751 -28.5751 -28.5748 -28.5748 -28.3143 -28.3143 -28.3139 -28.3139 -7.8271 -7.8271 -7.8271 -7.8271 -7.7678 -7.7678 -7.7678 -7.7678 4.2574 4.2574 4.2575 4.2575 4.2731 4.2731 4.2731 4.2731 5.6631 5.6631 5.6632 5.6632 6.4457 6.4457 6.4457 6.4457 7.5447 7.5447 7.5448 7.5448 8.2051 8.2051 8.2051 8.2051 11.3924 11.3924 11.3927 11.3927 11.4844 11.4844 11.4846 11.4846 11.5279 11.5279 11.5282 11.5282 k = 0.5000 0.5000 0.5759 ( 2284 PWs) bands (ev): -54.8892 -54.8892 -54.8888 -54.8888 -29.3504 -29.3504 -29.3500 -29.3500 -28.5778 -28.5778 -28.5774 -28.5774 -28.3132 -28.3132 -28.3128 -28.3128 -7.8074 -7.8074 -7.8073 -7.8073 -7.7735 -7.7735 -7.7735 -7.7735 4.2617 4.2617 4.2617 4.2617 4.2757 4.2757 4.2757 4.2757 5.6305 5.6305 5.6306 5.6306 6.4002 6.4002 6.4002 6.4002 7.5712 7.5712 7.5713 7.5713 8.2330 8.2330 8.2330 8.2330 11.4051 11.4051 11.4053 11.4053 11.4874 11.4874 11.4876 11.4876 11.5220 11.5220 11.5222 11.5222 k = 0.5000 0.5000 0.5903 ( 2284 PWs) bands (ev): -54.8886 -54.8886 -54.8881 -54.8881 -29.3539 -29.3539 -29.3535 -29.3535 -28.5802 -28.5802 -28.5798 -28.5798 -28.3122 -28.3122 -28.3118 -28.3118 -7.7908 -7.7908 -7.7908 -7.7908 -7.7767 -7.7767 -7.7767 -7.7767 4.2619 4.2619 4.2619 4.2619 4.2809 4.2809 4.2809 4.2809 5.6020 5.6020 5.6021 5.6021 6.3561 6.3561 6.3561 6.3561 7.5969 7.5969 7.5970 7.5970 8.2590 8.2590 8.2590 8.2590 11.4159 11.4159 11.4161 11.4161 11.4624 11.4624 11.4627 11.4627 11.5449 11.5449 11.5452 11.5452 k = 0.5000 0.5000 0.6047 ( 2284 PWs) bands (ev): -54.8879 -54.8879 -54.8875 -54.8875 -29.3573 -29.3573 -29.3569 -29.3569 -28.5825 -28.5825 -28.5821 -28.5821 -28.3112 -28.3112 -28.3108 -28.3108 -7.7886 -7.7886 -7.7886 -7.7886 -7.7661 -7.7661 -7.7661 -7.7661 4.2617 4.2617 4.2617 4.2617 4.2852 4.2852 4.2852 4.2852 5.5774 5.5774 5.5775 5.5775 6.3137 6.3137 6.3137 6.3137 7.6218 7.6218 7.6218 7.6218 8.2831 8.2831 8.2831 8.2831 11.4187 11.4187 11.4190 11.4190 11.4429 11.4429 11.4432 11.4432 11.5696 11.5696 11.5698 11.5698 k = 0.5000 0.5000 0.6191 ( 2284 PWs) bands (ev): -54.8873 -54.8873 -54.8869 -54.8869 -29.3605 -29.3605 -29.3601 -29.3601 -28.5847 -28.5847 -28.5843 -28.5843 -28.3102 -28.3102 -28.3099 -28.3099 -7.7930 -7.7930 -7.7930 -7.7930 -7.7495 -7.7495 -7.7495 -7.7495 4.2619 4.2619 4.2620 4.2620 4.2877 4.2877 4.2877 4.2877 5.5566 5.5566 5.5567 5.5567 6.2731 6.2731 6.2731 6.2731 7.6456 7.6456 7.6457 7.6457 8.3053 8.3053 8.3053 8.3053 11.3995 11.3995 11.3998 11.3998 11.4455 11.4455 11.4457 11.4457 11.5935 11.5935 11.5938 11.5938 k = 0.5000 0.5000 0.6335 ( 2292 PWs) bands (ev): -54.8867 -54.8867 -54.8863 -54.8863 -29.3636 -29.3636 -29.3632 -29.3632 -28.5866 -28.5866 -28.5862 -28.5862 -28.3093 -28.3093 -28.3090 -28.3090 -7.7978 -7.7978 -7.7978 -7.7978 -7.7333 -7.7333 -7.7333 -7.7333 4.2627 4.2627 4.2628 4.2628 4.2884 4.2884 4.2885 4.2885 5.5393 5.5393 5.5393 5.5393 6.2344 6.2344 6.2344 6.2344 7.6684 7.6684 7.6685 7.6685 8.3257 8.3257 8.3257 8.3257 11.3746 11.3746 11.3749 11.3749 11.4542 11.4542 11.4545 11.4545 11.6162 11.6162 11.6165 11.6165 k = 0.5000 0.5000 0.6479 ( 2292 PWs) bands (ev): -54.8861 -54.8861 -54.8857 -54.8857 -29.3664 -29.3664 -29.3660 -29.3660 -28.5885 -28.5885 -28.5881 -28.5881 -28.3085 -28.3085 -28.3081 -28.3081 -7.8024 -7.8024 -7.8024 -7.8024 -7.7180 -7.7180 -7.7180 -7.7180 4.2639 4.2639 4.2639 4.2639 4.2877 4.2877 4.2877 4.2877 5.5251 5.5251 5.5252 5.5252 6.1980 6.1980 6.1980 6.1980 7.6899 7.6899 7.6900 7.6900 8.3442 8.3442 8.3442 8.3442 11.3502 11.3502 11.3504 11.3504 11.4633 11.4633 11.4635 11.4635 11.6376 11.6376 11.6379 11.6379 k = 0.5000 0.5000 0.6623 ( 2292 PWs) bands (ev): -54.8856 -54.8856 -54.8852 -54.8852 -29.3691 -29.3691 -29.3687 -29.3687 -28.5901 -28.5901 -28.5897 -28.5897 -28.3078 -28.3078 -28.3074 -28.3074 -7.8068 -7.8068 -7.8068 -7.8068 -7.7037 -7.7037 -7.7037 -7.7037 4.2653 4.2653 4.2653 4.2653 4.2860 4.2860 4.2860 4.2860 5.5138 5.5138 5.5139 5.5139 6.1639 6.1639 6.1639 6.1639 7.7100 7.7100 7.7101 7.7101 8.3610 8.3610 8.3610 8.3610 11.3270 11.3270 11.3273 11.3273 11.4719 11.4719 11.4721 11.4721 11.6575 11.6575 11.6578 11.6578 k = 0.5000 0.5000 0.6767 ( 2292 PWs) bands (ev): -54.8852 -54.8852 -54.8847 -54.8847 -29.3716 -29.3716 -29.3712 -29.3712 -28.5916 -28.5916 -28.5912 -28.5912 -28.3070 -28.3070 -28.3067 -28.3067 -7.8108 -7.8108 -7.8107 -7.8107 -7.6907 -7.6907 -7.6906 -7.6906 4.2662 4.2662 4.2663 4.2663 4.2839 4.2839 4.2839 4.2839 5.5049 5.5049 5.5050 5.5050 6.1324 6.1324 6.1324 6.1324 7.7287 7.7287 7.7288 7.7288 8.3761 8.3761 8.3761 8.3761 11.3055 11.3055 11.3058 11.3058 11.4798 11.4798 11.4801 11.4801 11.6758 11.6758 11.6761 11.6761 k = 0.5000 0.5000 0.6911 ( 2292 PWs) bands (ev): -54.8847 -54.8847 -54.8843 -54.8843 -29.3738 -29.3738 -29.3734 -29.3734 -28.5930 -28.5930 -28.5926 -28.5926 -28.3064 -28.3064 -28.3060 -28.3060 -7.8144 -7.8144 -7.8144 -7.8144 -7.6788 -7.6788 -7.6788 -7.6788 4.2661 4.2661 4.2662 4.2662 4.2824 4.2824 4.2824 4.2824 5.4982 5.4982 5.4983 5.4983 6.1036 6.1036 6.1036 6.1036 7.7458 7.7458 7.7458 7.7458 8.3895 8.3895 8.3895 8.3895 11.2858 11.2858 11.2861 11.2861 11.4870 11.4870 11.4873 11.4873 11.6924 11.6924 11.6928 11.6928 k = 0.5000 0.5000 0.7055 ( 2292 PWs) bands (ev): -54.8844 -54.8844 -54.8840 -54.8840 -29.3758 -29.3758 -29.3754 -29.3754 -28.5942 -28.5942 -28.5938 -28.5938 -28.3058 -28.3058 -28.3055 -28.3055 -7.8176 -7.8176 -7.8176 -7.8176 -7.6682 -7.6682 -7.6682 -7.6682 4.2644 4.2644 4.2644 4.2644 4.2823 4.2823 4.2823 4.2823 5.4932 5.4932 5.4933 5.4933 6.0777 6.0777 6.0777 6.0777 7.7611 7.7611 7.7612 7.7612 8.4012 8.4012 8.4012 8.4012 11.2681 11.2681 11.2684 11.2684 11.4935 11.4935 11.4938 11.4938 11.7073 11.7073 11.7077 11.7077 k = 0.5000 0.5000 0.7199 ( 2288 PWs) bands (ev): -54.8840 -54.8840 -54.8836 -54.8836 -29.3775 -29.3775 -29.3771 -29.3771 -28.5952 -28.5952 -28.5948 -28.5948 -28.3053 -28.3053 -28.3050 -28.3050 -7.8204 -7.8204 -7.8204 -7.8204 -7.6590 -7.6590 -7.6590 -7.6590 4.2613 4.2613 4.2613 4.2613 4.2834 4.2834 4.2834 4.2834 5.4896 5.4896 5.4897 5.4897 6.0549 6.0549 6.0549 6.0549 7.7746 7.7746 7.7747 7.7747 8.4113 8.4113 8.4113 8.4113 11.2524 11.2524 11.2527 11.2527 11.4992 11.4992 11.4994 11.4994 11.7204 11.7204 11.7207 11.7207 k = 0.5000 0.5000 0.7343 ( 2280 PWs) bands (ev): -54.8837 -54.8837 -54.8833 -54.8833 -29.3790 -29.3790 -29.3786 -29.3786 -28.5961 -28.5961 -28.5957 -28.5957 -28.3049 -28.3049 -28.3045 -28.3045 -7.8228 -7.8228 -7.8228 -7.8228 -7.6511 -7.6511 -7.6510 -7.6510 4.2576 4.2576 4.2577 4.2577 4.2851 4.2851 4.2851 4.2851 5.4870 5.4870 5.4871 5.4871 6.0353 6.0353 6.0353 6.0353 7.7863 7.7863 7.7863 7.7863 8.4197 8.4197 8.4198 8.4198 11.2390 11.2390 11.2393 11.2393 11.5040 11.5040 11.5043 11.5043 11.7316 11.7316 11.7319 11.7319 k = 0.5000 0.5000 0.7487 ( 2280 PWs) bands (ev): -54.8835 -54.8835 -54.8831 -54.8831 -29.3803 -29.3803 -29.3799 -29.3799 -28.5968 -28.5968 -28.5964 -28.5964 -28.3046 -28.3046 -28.3042 -28.3042 -7.8248 -7.8248 -7.8248 -7.8248 -7.6446 -7.6446 -7.6445 -7.6445 4.2541 4.2541 4.2541 4.2541 4.2869 4.2869 4.2869 4.2869 5.4854 5.4854 5.4854 5.4854 6.0190 6.0190 6.0190 6.0190 7.7959 7.7959 7.7959 7.7959 8.4266 8.4266 8.4266 8.4266 11.2279 11.2279 11.2282 11.2282 11.5080 11.5080 11.5083 11.5083 11.7408 11.7408 11.7412 11.7412 k = 0.5000 0.5000 0.7631 ( 2276 PWs) bands (ev): -54.8833 -54.8833 -54.8829 -54.8829 -29.3812 -29.3812 -29.3808 -29.3808 -28.5973 -28.5973 -28.5969 -28.5969 -28.3043 -28.3043 -28.3039 -28.3039 -7.8264 -7.8264 -7.8264 -7.8264 -7.6395 -7.6395 -7.6395 -7.6395 4.2510 4.2510 4.2511 4.2511 4.2885 4.2885 4.2885 4.2885 5.4843 5.4843 5.4844 5.4844 6.0062 6.0062 6.0063 6.0063 7.8034 7.8034 7.8035 7.8035 8.4320 8.4320 8.4320 8.4320 11.2192 11.2192 11.2195 11.2195 11.5112 11.5112 11.5114 11.5114 11.7481 11.7481 11.7484 11.7484 k = 0.5000 0.5000 0.7775 ( 2288 PWs) bands (ev): -54.8832 -54.8832 -54.8828 -54.8828 -29.3819 -29.3819 -29.3815 -29.3815 -28.5977 -28.5977 -28.5973 -28.5973 -28.3041 -28.3041 -28.3037 -28.3037 -7.8275 -7.8275 -7.8275 -7.8275 -7.6358 -7.6358 -7.6358 -7.6358 4.2487 4.2487 4.2487 4.2487 4.2897 4.2897 4.2897 4.2897 5.4836 5.4836 5.4837 5.4837 5.9970 5.9970 5.9971 5.9971 7.8089 7.8089 7.8090 7.8090 8.4358 8.4358 8.4358 8.4358 11.2129 11.2129 11.2132 11.2132 11.5134 11.5134 11.5136 11.5136 11.7532 11.7532 11.7535 11.7535 k = 0.5000 0.5000 0.7919 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3823 -29.3823 -29.3820 -29.3820 -28.5979 -28.5979 -28.5975 -28.5975 -28.3040 -28.3040 -28.3036 -28.3036 -7.8282 -7.8282 -7.8282 -7.8282 -7.6336 -7.6336 -7.6336 -7.6336 4.2472 4.2472 4.2472 4.2472 4.2905 4.2905 4.2905 4.2905 5.4833 5.4833 5.4834 5.4834 5.9915 5.9915 5.9915 5.9915 7.8122 7.8122 7.8122 7.8122 8.4381 8.4381 8.4381 8.4381 11.2091 11.2091 11.2094 11.2094 11.5147 11.5147 11.5150 11.5150 11.7563 11.7563 11.7567 11.7567 k = 0.5000 0.5000 0.8063 ( 2288 PWs) bands (ev): -54.8831 -54.8831 -54.8827 -54.8827 -29.3825 -29.3825 -29.3821 -29.3821 -28.5980 -28.5980 -28.5976 -28.5976 -28.3039 -28.3039 -28.3036 -28.3036 -7.8284 -7.8284 -7.8284 -7.8284 -7.6329 -7.6329 -7.6329 -7.6329 4.2467 4.2467 4.2467 4.2467 4.2908 4.2908 4.2908 4.2908 5.4832 5.4832 5.4833 5.4833 5.9896 5.9896 5.9897 5.9897 7.8133 7.8133 7.8133 7.8133 8.4388 8.4388 8.4388 8.4388 11.2079 11.2079 11.2081 11.2081 11.5152 11.5152 11.5154 11.5154 11.7574 11.7574 11.7577 11.7577 Writing output data file VO2.save init_run : 0.29s CPU 0.48s WALL ( 1 calls) electrons : 171.50s CPU 174.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 171.48s CPU 174.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 415 calls) cegterg : 159.66s CPU 162.24s WALL ( 509 calls) Called by sum_band: Called by *egterg: h_psi : 77.58s CPU 79.49s WALL ( 8150 calls) s_psi : 4.54s CPU 4.79s WALL ( 8150 calls) g_psi : 0.20s CPU 0.21s WALL ( 7226 calls) cdiaghg : 69.02s CPU 70.03s WALL ( 7641 calls) cegterg:over : 6.88s CPU 6.73s WALL ( 7226 calls) cegterg:upda : 4.52s CPU 4.35s WALL ( 7226 calls) cegterg:last : 3.35s CPU 3.31s WALL ( 1652 calls) cdiaghg:chol : 3.96s CPU 3.90s WALL ( 7641 calls) cdiaghg:inve : 2.48s CPU 2.67s WALL ( 7641 calls) cdiaghg:para : 4.47s CPU 4.70s WALL ( 15282 calls) Called by h_psi: h_psi:vloc : 65.82s CPU 67.50s WALL ( 8150 calls) h_psi:vnl : 11.53s CPU 11.78s WALL ( 8150 calls) add_vuspsi : 5.81s CPU 5.89s WALL ( 8150 calls) General routines calbec : 5.68s CPU 5.86s WALL ( 8150 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.90s CPU 59.47s WALL ( 1215368 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.19s WALL ( 830 calls) Parallel routines fft_scatter : 26.96s CPU 27.66s WALL ( 1215391 calls) PWSCF : 3m 7.97s CPU 3m26.92s WALL This run was terminated on: 21: 1:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=