Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 8:16:35 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./NbTe2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 32 9 1978 1194 181 Max 45 33 10 1982 1216 185 Sum 3181 2305 657 142599 86857 13087 bravais-lattice index = 14 lattice parameter (alat) = 12.2520 a.u. unit-cell volume = 1935.1211 (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 = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.252038 celldm(2)= 1.000000 celldm(3)= 1.052163 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 1.052163 ) 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 0.950423 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Nb 13.00 92.90640 Nb( 1.00) Te 6.00 127.60000 Te( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 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 90 deg rotation - cart. axis [0,0,-1] 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 90 deg rotation - cart. axis [0,0,1] 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. 90 deg rotation - cart. axis [0,0,-1] 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. 90 deg rotation - cart. axis [0,0,1] 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 C_4h (4/m) there are 16 classes and 8 irreducible representations the character table: E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3 G_5+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71 G_6+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71 G_7+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71 G_8+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71 G_5- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_6- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_7- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 G_8- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 s_h -s_h S4 -S4 G_5+ 0.00 0.00 0.71 -0.71 G_6+ 0.00 0.00 0.71 -0.71 G_7+ 0.00 0.00 -0.71 0.71 G_8+ 0.00 0.00 -0.71 0.71 G_5- 0.00 0.00 -0.71 0.71 G_6- 0.00 0.00 -0.71 0.71 G_7- 0.00 0.00 0.71 -0.71 G_8- 0.00 0.00 0.71 -0.71 imaginary part E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3 G_5+ 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 0.71 -0.71 G_6+ 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 -0.71 0.71 G_7+ 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 -0.71 0.71 G_8+ 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 0.71 -0.71 G_5- 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 G_6- 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_7- 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_8- 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 s_h -s_h S4 -S4 G_5+ 1.00 -1.00 -0.71 0.71 G_6+ -1.00 1.00 0.71 -0.71 G_7+ 1.00 -1.00 0.71 -0.71 G_8+ -1.00 1.00 -0.71 0.71 G_5- -1.00 1.00 0.71 -0.71 G_6- 1.00 -1.00 -0.71 0.71 G_7- -1.00 1.00 -0.71 0.71 G_8- 1.00 -1.00 0.71 -0.71 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C4 4 90 deg rotation - cart. axis [0,0,1] -C4 -4 90 deg rotation - cart. axis [0,0,1] E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E C4^3 3 90 deg rotation - cart. axis [0,0,-1] -C4^3 -3 90 deg rotation - cart. axis [0,0,-1] E i 5 inversion -i -5 inversion E S4^3 8 inv. 90 deg rotation - cart. axis [0,0,1] -S4^3 -8 inv. 90 deg rotation - cart. axis [0,0,1] E s_h 6 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -6 inv. 180 deg rotation - cart. axis [0,0,1] E S4 7 inv. 90 deg rotation - cart. axis [0,0,-1] -S4 -7 inv. 90 deg rotation - cart. axis [0,0,-1] E Cartesian axes number of k points= 251 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0039841 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0039841 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0039841 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0039841 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0039841 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0039841 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0039841 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0039841 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0039841 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0039841 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0039841 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0039841 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0039841 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0039841 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0039841 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0039841 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0039841 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0039841 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0039841 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0039841 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0039841 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0039841 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0039841 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0039841 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039841 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039841 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0039841 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0039841 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0039841 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0039841 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0039841 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0039841 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0039841 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0039841 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0039841 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0039841 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0039841 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0039841 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0039841 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0039841 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0039841 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0039841 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0039841 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0039841 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0039841 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039841 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0039841 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0039841 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0039841 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0039841 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039841 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039841 k( 54) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0039841 k( 55) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0039841 k( 56) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0039841 k( 57) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0039841 k( 58) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0039841 k( 59) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0039841 k( 60) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0039841 k( 61) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0039841 k( 62) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0039841 k( 63) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0039841 k( 64) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0039841 k( 65) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0039841 k( 66) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0039841 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0039841 k( 68) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0039841 k( 69) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0039841 k( 70) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0039841 k( 71) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0039841 k( 72) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0039841 k( 73) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0039841 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0039841 k( 75) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0039841 k( 76) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0039841 k( 77) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0039841 k( 78) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0039841 k( 79) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0039841 k( 80) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0039841 k( 81) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0039841 k( 82) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0039841 k( 83) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0039841 k( 84) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0039841 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0039841 k( 86) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0039841 k( 87) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0039841 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 90) = ( 0.0000000 0.0000000 0.0198005), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.0396010), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.0594014), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.0792019), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.0990024), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.1188029), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.1386033), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.1584038), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.1782043), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.1980048), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.2178053), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.2376057), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.2574062), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.2772067), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.2970072), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.3168076), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.3366081), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.3564086), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.3762091), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.3960096), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.4158100), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.4356105), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.4554110), wk = 0.0039841 k( 113) = ( 0.0000000 0.0000000 0.4752115), wk = 0.0039841 k( 114) = ( 0.0000000 0.0000000 0.4752115), wk = 0.0039841 k( 115) = ( 0.0000000 0.0200000 0.4752115), wk = 0.0039841 k( 116) = ( 0.0000000 0.0400000 0.4752115), wk = 0.0039841 k( 117) = ( 0.0000000 0.0600000 0.4752115), wk = 0.0039841 k( 118) = ( 0.0000000 0.0800000 0.4752115), wk = 0.0039841 k( 119) = ( 0.0000000 0.1000000 0.4752115), wk = 0.0039841 k( 120) = ( 0.0000000 0.1200000 0.4752115), wk = 0.0039841 k( 121) = ( 0.0000000 0.1400000 0.4752115), wk = 0.0039841 k( 122) = ( 0.0000000 0.1600000 0.4752115), wk = 0.0039841 k( 123) = ( 0.0000000 0.1800000 0.4752115), wk = 0.0039841 k( 124) = ( 0.0000000 0.2000000 0.4752115), wk = 0.0039841 k( 125) = ( 0.0000000 0.2200000 0.4752115), wk = 0.0039841 k( 126) = ( 0.0000000 0.2400000 0.4752115), wk = 0.0039841 k( 127) = ( 0.0000000 0.2600000 0.4752115), wk = 0.0039841 k( 128) = ( 0.0000000 0.2800000 0.4752115), wk = 0.0039841 k( 129) = ( 0.0000000 0.3000000 0.4752115), wk = 0.0039841 k( 130) = ( 0.0000000 0.3200000 0.4752115), wk = 0.0039841 k( 131) = ( 0.0000000 0.3400000 0.4752115), wk = 0.0039841 k( 132) = ( 0.0000000 0.3600000 0.4752115), wk = 0.0039841 k( 133) = ( 0.0000000 0.3800000 0.4752115), wk = 0.0039841 k( 134) = ( 0.0000000 0.4000000 0.4752115), wk = 0.0039841 k( 135) = ( 0.0000000 0.4200000 0.4752115), wk = 0.0039841 k( 136) = ( 0.0000000 0.4400000 0.4752115), wk = 0.0039841 k( 137) = ( 0.0000000 0.4600000 0.4752115), wk = 0.0039841 k( 138) = ( 0.0000000 0.4800000 0.4752115), wk = 0.0039841 k( 139) = ( 0.0000000 0.5000000 0.4752115), wk = 0.0039841 k( 140) = ( 0.0000000 0.5000000 0.4752115), wk = 0.0039841 k( 141) = ( 0.0200000 0.5000000 0.4752115), wk = 0.0039841 k( 142) = ( 0.0400000 0.5000000 0.4752115), wk = 0.0039841 k( 143) = ( 0.0600000 0.5000000 0.4752115), wk = 0.0039841 k( 144) = ( 0.0800000 0.5000000 0.4752115), wk = 0.0039841 k( 145) = ( 0.1000000 0.5000000 0.4752115), wk = 0.0039841 k( 146) = ( 0.1200000 0.5000000 0.4752115), wk = 0.0039841 k( 147) = ( 0.1400000 0.5000000 0.4752115), wk = 0.0039841 k( 148) = ( 0.1600000 0.5000000 0.4752115), wk = 0.0039841 k( 149) = ( 0.1800000 0.5000000 0.4752115), wk = 0.0039841 k( 150) = ( 0.2000000 0.5000000 0.4752115), wk = 0.0039841 k( 151) = ( 0.2200000 0.5000000 0.4752115), wk = 0.0039841 k( 152) = ( 0.2400000 0.5000000 0.4752115), wk = 0.0039841 k( 153) = ( 0.2600000 0.5000000 0.4752115), wk = 0.0039841 k( 154) = ( 0.2800000 0.5000000 0.4752115), wk = 0.0039841 k( 155) = ( 0.3000000 0.5000000 0.4752115), wk = 0.0039841 k( 156) = ( 0.3200000 0.5000000 0.4752115), wk = 0.0039841 k( 157) = ( 0.3400000 0.5000000 0.4752115), wk = 0.0039841 k( 158) = ( 0.3600000 0.5000000 0.4752115), wk = 0.0039841 k( 159) = ( 0.3800000 0.5000000 0.4752115), wk = 0.0039841 k( 160) = ( 0.4000000 0.5000000 0.4752115), wk = 0.0039841 k( 161) = ( 0.4200000 0.5000000 0.4752115), wk = 0.0039841 k( 162) = ( 0.4400000 0.5000000 0.4752115), wk = 0.0039841 k( 163) = ( 0.4600000 0.5000000 0.4752115), wk = 0.0039841 k( 164) = ( 0.4800000 0.5000000 0.4752115), wk = 0.0039841 k( 165) = ( 0.5000000 0.5000000 0.4752115), wk = 0.0039841 k( 166) = ( 0.5000000 0.5000000 0.4752115), wk = 0.0039841 k( 167) = ( 0.4857143 0.4857143 0.4752115), wk = 0.0039841 k( 168) = ( 0.4714286 0.4714286 0.4752115), wk = 0.0039841 k( 169) = ( 0.4571429 0.4571429 0.4752115), wk = 0.0039841 k( 170) = ( 0.4428571 0.4428571 0.4752115), wk = 0.0039841 k( 171) = ( 0.4285714 0.4285714 0.4752115), wk = 0.0039841 k( 172) = ( 0.4142857 0.4142857 0.4752115), wk = 0.0039841 k( 173) = ( 0.4000000 0.4000000 0.4752115), wk = 0.0039841 k( 174) = ( 0.3857143 0.3857143 0.4752115), wk = 0.0039841 k( 175) = ( 0.3714286 0.3714286 0.4752115), wk = 0.0039841 k( 176) = ( 0.3571429 0.3571429 0.4752115), wk = 0.0039841 k( 177) = ( 0.3428571 0.3428571 0.4752115), wk = 0.0039841 k( 178) = ( 0.3285714 0.3285714 0.4752115), wk = 0.0039841 k( 179) = ( 0.3142857 0.3142857 0.4752115), wk = 0.0039841 k( 180) = ( 0.3000000 0.3000000 0.4752115), wk = 0.0039841 k( 181) = ( 0.2857143 0.2857143 0.4752115), wk = 0.0039841 k( 182) = ( 0.2714286 0.2714286 0.4752115), wk = 0.0039841 k( 183) = ( 0.2571429 0.2571429 0.4752115), wk = 0.0039841 k( 184) = ( 0.2428571 0.2428571 0.4752115), wk = 0.0039841 k( 185) = ( 0.2285714 0.2285714 0.4752115), wk = 0.0039841 k( 186) = ( 0.2142857 0.2142857 0.4752115), wk = 0.0039841 k( 187) = ( 0.2000000 0.2000000 0.4752115), wk = 0.0039841 k( 188) = ( 0.1857143 0.1857143 0.4752115), wk = 0.0039841 k( 189) = ( 0.1714286 0.1714286 0.4752115), wk = 0.0039841 k( 190) = ( 0.1571429 0.1571429 0.4752115), wk = 0.0039841 k( 191) = ( 0.1428571 0.1428571 0.4752115), wk = 0.0039841 k( 192) = ( 0.1285714 0.1285714 0.4752115), wk = 0.0039841 k( 193) = ( 0.1142857 0.1142857 0.4752115), wk = 0.0039841 k( 194) = ( 0.1000000 0.1000000 0.4752115), wk = 0.0039841 k( 195) = ( 0.0857143 0.0857143 0.4752115), wk = 0.0039841 k( 196) = ( 0.0714286 0.0714286 0.4752115), wk = 0.0039841 k( 197) = ( 0.0571429 0.0571429 0.4752115), wk = 0.0039841 k( 198) = ( 0.0428571 0.0428571 0.4752115), wk = 0.0039841 k( 199) = ( 0.0285714 0.0285714 0.4752115), wk = 0.0039841 k( 200) = ( 0.0142857 0.0142857 0.4752115), wk = 0.0039841 k( 201) = ( 0.0000000 0.0000000 0.4752115), wk = 0.0039841 k( 202) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039841 k( 203) = ( 0.0000000 0.5000000 0.0198005), wk = 0.0039841 k( 204) = ( 0.0000000 0.5000000 0.0396010), wk = 0.0039841 k( 205) = ( 0.0000000 0.5000000 0.0594014), wk = 0.0039841 k( 206) = ( 0.0000000 0.5000000 0.0792019), wk = 0.0039841 k( 207) = ( 0.0000000 0.5000000 0.0990024), wk = 0.0039841 k( 208) = ( 0.0000000 0.5000000 0.1188029), wk = 0.0039841 k( 209) = ( 0.0000000 0.5000000 0.1386033), wk = 0.0039841 k( 210) = ( 0.0000000 0.5000000 0.1584038), wk = 0.0039841 k( 211) = ( 0.0000000 0.5000000 0.1782043), wk = 0.0039841 k( 212) = ( 0.0000000 0.5000000 0.1980048), wk = 0.0039841 k( 213) = ( 0.0000000 0.5000000 0.2178053), wk = 0.0039841 k( 214) = ( 0.0000000 0.5000000 0.2376057), wk = 0.0039841 k( 215) = ( 0.0000000 0.5000000 0.2574062), wk = 0.0039841 k( 216) = ( 0.0000000 0.5000000 0.2772067), wk = 0.0039841 k( 217) = ( 0.0000000 0.5000000 0.2970072), wk = 0.0039841 k( 218) = ( 0.0000000 0.5000000 0.3168076), wk = 0.0039841 k( 219) = ( 0.0000000 0.5000000 0.3366081), wk = 0.0039841 k( 220) = ( 0.0000000 0.5000000 0.3564086), wk = 0.0039841 k( 221) = ( 0.0000000 0.5000000 0.3762091), wk = 0.0039841 k( 222) = ( 0.0000000 0.5000000 0.3960096), wk = 0.0039841 k( 223) = ( 0.0000000 0.5000000 0.4158100), wk = 0.0039841 k( 224) = ( 0.0000000 0.5000000 0.4356105), wk = 0.0039841 k( 225) = ( 0.0000000 0.5000000 0.4554110), wk = 0.0039841 k( 226) = ( 0.0000000 0.5000000 0.4752115), wk = 0.0039841 k( 227) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039841 k( 228) = ( 0.5000000 0.5000000 0.0198005), wk = 0.0039841 k( 229) = ( 0.5000000 0.5000000 0.0396010), wk = 0.0039841 k( 230) = ( 0.5000000 0.5000000 0.0594014), wk = 0.0039841 k( 231) = ( 0.5000000 0.5000000 0.0792019), wk = 0.0039841 k( 232) = ( 0.5000000 0.5000000 0.0990024), wk = 0.0039841 k( 233) = ( 0.5000000 0.5000000 0.1188029), wk = 0.0039841 k( 234) = ( 0.5000000 0.5000000 0.1386033), wk = 0.0039841 k( 235) = ( 0.5000000 0.5000000 0.1584038), wk = 0.0039841 k( 236) = ( 0.5000000 0.5000000 0.1782043), wk = 0.0039841 k( 237) = ( 0.5000000 0.5000000 0.1980048), wk = 0.0039841 k( 238) = ( 0.5000000 0.5000000 0.2178053), wk = 0.0039841 k( 239) = ( 0.5000000 0.5000000 0.2376057), wk = 0.0039841 k( 240) = ( 0.5000000 0.5000000 0.2574062), wk = 0.0039841 k( 241) = ( 0.5000000 0.5000000 0.2772067), wk = 0.0039841 k( 242) = ( 0.5000000 0.5000000 0.2970072), wk = 0.0039841 k( 243) = ( 0.5000000 0.5000000 0.3168076), wk = 0.0039841 k( 244) = ( 0.5000000 0.5000000 0.3366081), wk = 0.0039841 k( 245) = ( 0.5000000 0.5000000 0.3564086), wk = 0.0039841 k( 246) = ( 0.5000000 0.5000000 0.3762091), wk = 0.0039841 k( 247) = ( 0.5000000 0.5000000 0.3960096), wk = 0.0039841 k( 248) = ( 0.5000000 0.5000000 0.4158100), wk = 0.0039841 k( 249) = ( 0.5000000 0.5000000 0.4356105), wk = 0.0039841 k( 250) = ( 0.5000000 0.5000000 0.4554110), wk = 0.0039841 k( 251) = ( 0.5000000 0.5000000 0.4752115), wk = 0.0039841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0039841 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0039841 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0039841 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0039841 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0039841 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0039841 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0039841 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0039841 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0039841 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0039841 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0039841 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0039841 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0039841 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0039841 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0039841 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0039841 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0039841 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0039841 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0039841 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0039841 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0039841 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0039841 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0039841 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0039841 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039841 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039841 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0039841 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0039841 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0039841 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0039841 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0039841 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0039841 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0039841 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0039841 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0039841 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0039841 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0039841 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0039841 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0039841 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0039841 k( 42) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0039841 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0039841 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0039841 k( 45) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0039841 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0039841 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0039841 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0039841 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0039841 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0039841 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0039841 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039841 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039841 k( 54) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0039841 k( 55) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0039841 k( 56) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0039841 k( 57) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0039841 k( 58) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0039841 k( 59) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0039841 k( 60) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0039841 k( 61) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0039841 k( 62) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0039841 k( 63) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0039841 k( 64) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0039841 k( 65) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0039841 k( 66) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0039841 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0039841 k( 68) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0039841 k( 69) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0039841 k( 70) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0039841 k( 71) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0039841 k( 72) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0039841 k( 73) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0039841 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0039841 k( 75) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0039841 k( 76) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0039841 k( 77) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0039841 k( 78) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0039841 k( 79) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0039841 k( 80) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0039841 k( 81) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0039841 k( 82) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0039841 k( 83) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0039841 k( 84) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0039841 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0039841 k( 86) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0039841 k( 87) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0039841 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039841 k( 90) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0039841 k( 91) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039841 k( 92) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0039841 k( 93) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039841 k( 94) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0039841 k( 95) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039841 k( 96) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0039841 k( 97) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039841 k( 98) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0039841 k( 99) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039841 k( 100) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0039841 k( 101) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039841 k( 102) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0039841 k( 103) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039841 k( 104) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0039841 k( 105) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039841 k( 106) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0039841 k( 107) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039841 k( 108) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0039841 k( 109) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039841 k( 110) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0039841 k( 111) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039841 k( 112) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0039841 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 114) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 115) = ( 0.0000000 0.0200000 0.5000000), wk = 0.0039841 k( 116) = ( 0.0000000 0.0400000 0.5000000), wk = 0.0039841 k( 117) = ( 0.0000000 0.0600000 0.5000000), wk = 0.0039841 k( 118) = ( 0.0000000 0.0800000 0.5000000), wk = 0.0039841 k( 119) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0039841 k( 120) = ( 0.0000000 0.1200000 0.5000000), wk = 0.0039841 k( 121) = ( 0.0000000 0.1400000 0.5000000), wk = 0.0039841 k( 122) = ( 0.0000000 0.1600000 0.5000000), wk = 0.0039841 k( 123) = ( 0.0000000 0.1800000 0.5000000), wk = 0.0039841 k( 124) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0039841 k( 125) = ( 0.0000000 0.2200000 0.5000000), wk = 0.0039841 k( 126) = ( 0.0000000 0.2400000 0.5000000), wk = 0.0039841 k( 127) = ( 0.0000000 0.2600000 0.5000000), wk = 0.0039841 k( 128) = ( 0.0000000 0.2800000 0.5000000), wk = 0.0039841 k( 129) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0039841 k( 130) = ( 0.0000000 0.3200000 0.5000000), wk = 0.0039841 k( 131) = ( 0.0000000 0.3400000 0.5000000), wk = 0.0039841 k( 132) = ( 0.0000000 0.3600000 0.5000000), wk = 0.0039841 k( 133) = ( 0.0000000 0.3800000 0.5000000), wk = 0.0039841 k( 134) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0039841 k( 135) = ( 0.0000000 0.4200000 0.5000000), wk = 0.0039841 k( 136) = ( 0.0000000 0.4400000 0.5000000), wk = 0.0039841 k( 137) = ( 0.0000000 0.4600000 0.5000000), wk = 0.0039841 k( 138) = ( 0.0000000 0.4800000 0.5000000), wk = 0.0039841 k( 139) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039841 k( 140) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039841 k( 141) = ( 0.0200000 0.5000000 0.5000000), wk = 0.0039841 k( 142) = ( 0.0400000 0.5000000 0.5000000), wk = 0.0039841 k( 143) = ( 0.0600000 0.5000000 0.5000000), wk = 0.0039841 k( 144) = ( 0.0800000 0.5000000 0.5000000), wk = 0.0039841 k( 145) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039841 k( 146) = ( 0.1200000 0.5000000 0.5000000), wk = 0.0039841 k( 147) = ( 0.1400000 0.5000000 0.5000000), wk = 0.0039841 k( 148) = ( 0.1600000 0.5000000 0.5000000), wk = 0.0039841 k( 149) = ( 0.1800000 0.5000000 0.5000000), wk = 0.0039841 k( 150) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039841 k( 151) = ( 0.2200000 0.5000000 0.5000000), wk = 0.0039841 k( 152) = ( 0.2400000 0.5000000 0.5000000), wk = 0.0039841 k( 153) = ( 0.2600000 0.5000000 0.5000000), wk = 0.0039841 k( 154) = ( 0.2800000 0.5000000 0.5000000), wk = 0.0039841 k( 155) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039841 k( 156) = ( 0.3200000 0.5000000 0.5000000), wk = 0.0039841 k( 157) = ( 0.3400000 0.5000000 0.5000000), wk = 0.0039841 k( 158) = ( 0.3600000 0.5000000 0.5000000), wk = 0.0039841 k( 159) = ( 0.3800000 0.5000000 0.5000000), wk = 0.0039841 k( 160) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039841 k( 161) = ( 0.4200000 0.5000000 0.5000000), wk = 0.0039841 k( 162) = ( 0.4400000 0.5000000 0.5000000), wk = 0.0039841 k( 163) = ( 0.4600000 0.5000000 0.5000000), wk = 0.0039841 k( 164) = ( 0.4800000 0.5000000 0.5000000), wk = 0.0039841 k( 165) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 k( 166) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 k( 167) = ( 0.4857143 0.4857143 0.5000000), wk = 0.0039841 k( 168) = ( 0.4714286 0.4714286 0.5000000), wk = 0.0039841 k( 169) = ( 0.4571429 0.4571429 0.5000000), wk = 0.0039841 k( 170) = ( 0.4428571 0.4428571 0.5000000), wk = 0.0039841 k( 171) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0039841 k( 172) = ( 0.4142857 0.4142857 0.5000000), wk = 0.0039841 k( 173) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0039841 k( 174) = ( 0.3857143 0.3857143 0.5000000), wk = 0.0039841 k( 175) = ( 0.3714286 0.3714286 0.5000000), wk = 0.0039841 k( 176) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0039841 k( 177) = ( 0.3428571 0.3428571 0.5000000), wk = 0.0039841 k( 178) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0039841 k( 179) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0039841 k( 180) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0039841 k( 181) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0039841 k( 182) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0039841 k( 183) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0039841 k( 184) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0039841 k( 185) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0039841 k( 186) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0039841 k( 187) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0039841 k( 188) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0039841 k( 189) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0039841 k( 190) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0039841 k( 191) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0039841 k( 192) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0039841 k( 193) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0039841 k( 194) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0039841 k( 195) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0039841 k( 196) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0039841 k( 197) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0039841 k( 198) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0039841 k( 199) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0039841 k( 200) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0039841 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039841 k( 202) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039841 k( 203) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0039841 k( 204) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0039841 k( 205) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0039841 k( 206) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0039841 k( 207) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0039841 k( 208) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0039841 k( 209) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0039841 k( 210) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0039841 k( 211) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0039841 k( 212) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0039841 k( 213) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0039841 k( 214) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0039841 k( 215) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0039841 k( 216) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0039841 k( 217) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0039841 k( 218) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0039841 k( 219) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0039841 k( 220) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0039841 k( 221) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0039841 k( 222) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0039841 k( 223) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0039841 k( 224) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0039841 k( 225) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0039841 k( 226) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039841 k( 227) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039841 k( 228) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0039841 k( 229) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0039841 k( 230) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0039841 k( 231) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0039841 k( 232) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0039841 k( 233) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0039841 k( 234) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0039841 k( 235) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039841 k( 236) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0039841 k( 237) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0039841 k( 238) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0039841 k( 239) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0039841 k( 240) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0039841 k( 241) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0039841 k( 242) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0039841 k( 243) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039841 k( 244) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0039841 k( 245) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0039841 k( 246) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0039841 k( 247) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0039841 k( 248) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0039841 k( 249) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0039841 k( 250) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0039841 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039841 Dense grid: 142599 G-vectors FFT dimensions: ( 64, 64, 72) Smooth grid: 86857 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 324, 60) NL pseudopotentials 0.50 Mb ( 162, 204) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.02 Mb ( 1981) G-vector shells 0.01 Mb ( 970) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 324, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.37 Mb ( 204, 2, 60) The potential is recalculated from file : ./NbTe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 9.4 secs Computing kpt #: 5 total cpu time spent up to now is 11.0 secs Computing kpt #: 6 total cpu time spent up to now is 12.7 secs Computing kpt #: 7 total cpu time spent up to now is 14.4 secs Computing kpt #: 8 total cpu time spent up to now is 16.0 secs Computing kpt #: 9 total cpu time spent up to now is 17.6 secs Computing kpt #: 10 total cpu time spent up to now is 19.2 secs Computing kpt #: 11 total cpu time spent up to now is 20.8 secs Computing kpt #: 12 total cpu time spent up to now is 22.4 secs Computing kpt #: 13 total cpu time spent up to now is 24.1 secs Computing kpt #: 14 total cpu time spent up to now is 25.9 secs Computing kpt #: 15 total cpu time spent up to now is 27.6 secs Computing kpt #: 16 total cpu time spent up to now is 29.2 secs Computing kpt #: 17 total cpu time spent up to now is 30.9 secs Computing kpt #: 18 total cpu time spent up to now is 32.6 secs Computing kpt #: 19 total cpu time spent up to now is 34.5 secs Computing kpt #: 20 total cpu time spent up to now is 36.6 secs Computing kpt #: 21 total cpu time spent up to now is 38.3 secs Computing kpt #: 22 total cpu time spent up to now is 40.1 secs Computing kpt #: 23 total cpu time spent up to now is 42.2 secs Computing kpt #: 24 total cpu time spent up to now is 44.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.9 secs Computing kpt #: 26 total cpu time spent up to now is 47.5 secs Computing kpt #: 27 total cpu time spent up to now is 49.2 secs Computing kpt #: 28 total cpu time spent up to now is 50.9 secs Computing kpt #: 29 total cpu time spent up to now is 53.6 secs Computing kpt #: 30 total cpu time spent up to now is 55.5 secs Computing kpt #: 31 total cpu time spent up to now is 57.6 secs Computing kpt #: 32 total cpu time spent up to now is 59.6 secs Computing kpt #: 33 total cpu time spent up to now is 61.3 secs Computing kpt #: 34 total cpu time spent up to now is 63.3 secs Computing kpt #: 35 total cpu time spent up to now is 65.0 secs Computing kpt #: 36 total cpu time spent up to now is 67.0 secs Computing kpt #: 37 total cpu time spent up to now is 68.7 secs Computing kpt #: 38 total cpu time spent up to now is 70.3 secs Computing kpt #: 39 total cpu time spent up to now is 71.9 secs Computing kpt #: 40 total cpu time spent up to now is 73.5 secs Computing kpt #: 41 total cpu time spent up to now is 75.2 secs Computing kpt #: 42 total cpu time spent up to now is 76.8 secs Computing kpt #: 43 total cpu time spent up to now is 78.4 secs Computing kpt #: 44 total cpu time spent up to now is 80.0 secs Computing kpt #: 45 total cpu time spent up to now is 81.8 secs Computing kpt #: 46 total cpu time spent up to now is 83.4 secs Computing kpt #: 47 total cpu time spent up to now is 85.0 secs Computing kpt #: 48 total cpu time spent up to now is 86.6 secs Computing kpt #: 49 total cpu time spent up to now is 88.3 secs Computing kpt #: 50 total cpu time spent up to now is 90.0 secs Computing kpt #: 51 total cpu time spent up to now is 91.6 secs Computing kpt #: 52 total cpu time spent up to now is 93.3 secs Computing kpt #: 53 total cpu time spent up to now is 95.0 secs Computing kpt #: 54 total cpu time spent up to now is 96.8 secs Computing kpt #: 55 total cpu time spent up to now is 98.4 secs Computing kpt #: 56 total cpu time spent up to now is 100.2 secs Computing kpt #: 57 total cpu time spent up to now is 102.0 secs Computing kpt #: 58 total cpu time spent up to now is 103.9 secs Computing kpt #: 59 total cpu time spent up to now is 105.8 secs Computing kpt #: 60 total cpu time spent up to now is 107.9 secs Computing kpt #: 61 total cpu time spent up to now is 109.6 secs Computing kpt #: 62 total cpu time spent up to now is 111.2 secs Computing kpt #: 63 total cpu time spent up to now is 112.9 secs Computing kpt #: 64 total cpu time spent up to now is 116.1 secs Computing kpt #: 65 total cpu time spent up to now is 118.3 secs Computing kpt #: 66 total cpu time spent up to now is 120.8 secs Computing kpt #: 67 total cpu time spent up to now is 123.3 secs Computing kpt #: 68 total cpu time spent up to now is 125.5 secs Computing kpt #: 69 total cpu time spent up to now is 128.7 secs Computing kpt #: 70 total cpu time spent up to now is 130.4 secs Computing kpt #: 71 total cpu time spent up to now is 132.1 secs Computing kpt #: 72 total cpu time spent up to now is 133.8 secs Computing kpt #: 73 total cpu time spent up to now is 135.4 secs Computing kpt #: 74 total cpu time spent up to now is 137.3 secs Computing kpt #: 75 total cpu time spent up to now is 138.8 secs Computing kpt #: 76 total cpu time spent up to now is 140.4 secs Computing kpt #: 77 total cpu time spent up to now is 142.0 secs Computing kpt #: 78 total cpu time spent up to now is 143.5 secs Computing kpt #: 79 total cpu time spent up to now is 145.0 secs Computing kpt #: 80 total cpu time spent up to now is 146.6 secs Computing kpt #: 81 total cpu time spent up to now is 148.3 secs Computing kpt #: 82 total cpu time spent up to now is 149.8 secs Computing kpt #: 83 total cpu time spent up to now is 151.4 secs Computing kpt #: 84 total cpu time spent up to now is 153.1 secs Computing kpt #: 85 total cpu time spent up to now is 154.9 secs Computing kpt #: 86 total cpu time spent up to now is 156.6 secs Computing kpt #: 87 total cpu time spent up to now is 158.3 secs Computing kpt #: 88 total cpu time spent up to now is 160.0 secs Computing kpt #: 89 total cpu time spent up to now is 161.6 secs Computing kpt #: 90 total cpu time spent up to now is 163.2 secs Computing kpt #: 91 total cpu time spent up to now is 164.9 secs Computing kpt #: 92 total cpu time spent up to now is 166.6 secs Computing kpt #: 93 total cpu time spent up to now is 168.2 secs Computing kpt #: 94 total cpu time spent up to now is 169.8 secs Computing kpt #: 95 total cpu time spent up to now is 171.4 secs Computing kpt #: 96 total cpu time spent up to now is 173.1 secs Computing kpt #: 97 total cpu time spent up to now is 174.7 secs Computing kpt #: 98 total cpu time spent up to now is 176.3 secs Computing kpt #: 99 total cpu time spent up to now is 177.9 secs Computing kpt #: 100 total cpu time spent up to now is 179.5 secs Computing kpt #: 101 total cpu time spent up to now is 181.2 secs Computing kpt #: 102 total cpu time spent up to now is 182.7 secs Computing kpt #: 103 total cpu time spent up to now is 184.3 secs Computing kpt #: 104 total cpu time spent up to now is 185.9 secs Computing kpt #: 105 total cpu time spent up to now is 187.7 secs Computing kpt #: 106 total cpu time spent up to now is 189.2 secs Computing kpt #: 107 total cpu time spent up to now is 190.8 secs Computing kpt #: 108 total cpu time spent up to now is 192.4 secs Computing kpt #: 109 total cpu time spent up to now is 194.0 secs Computing kpt #: 110 total cpu time spent up to now is 195.6 secs Computing kpt #: 111 total cpu time spent up to now is 197.2 secs Computing kpt #: 112 total cpu time spent up to now is 198.8 secs Computing kpt #: 113 total cpu time spent up to now is 200.4 secs Computing kpt #: 114 total cpu time spent up to now is 202.0 secs Computing kpt #: 115 total cpu time spent up to now is 203.6 secs Computing kpt #: 116 total cpu time spent up to now is 205.2 secs Computing kpt #: 117 total cpu time spent up to now is 206.8 secs Computing kpt #: 118 total cpu time spent up to now is 208.4 secs Computing kpt #: 119 total cpu time spent up to now is 209.9 secs Computing kpt #: 120 total cpu time spent up to now is 211.5 secs Computing kpt #: 121 total cpu time spent up to now is 213.2 secs Computing kpt #: 122 total cpu time spent up to now is 214.9 secs Computing kpt #: 123 total cpu time spent up to now is 216.4 secs Computing kpt #: 124 total cpu time spent up to now is 218.1 secs Computing kpt #: 125 total cpu time spent up to now is 219.6 secs Computing kpt #: 126 total cpu time spent up to now is 221.3 secs Computing kpt #: 127 total cpu time spent up to now is 223.1 secs Computing kpt #: 128 total cpu time spent up to now is 224.6 secs Computing kpt #: 129 total cpu time spent up to now is 226.1 secs Computing kpt #: 130 total cpu time spent up to now is 227.7 secs Computing kpt #: 131 total cpu time spent up to now is 229.3 secs Computing kpt #: 132 total cpu time spent up to now is 230.8 secs Computing kpt #: 133 total cpu time spent up to now is 232.3 secs Computing kpt #: 134 total cpu time spent up to now is 233.8 secs Computing kpt #: 135 total cpu time spent up to now is 235.4 secs Computing kpt #: 136 total cpu time spent up to now is 237.0 secs Computing kpt #: 137 total cpu time spent up to now is 238.8 secs Computing kpt #: 138 total cpu time spent up to now is 240.3 secs Computing kpt #: 139 total cpu time spent up to now is 242.0 secs Computing kpt #: 140 total cpu time spent up to now is 243.6 secs Computing kpt #: 141 total cpu time spent up to now is 245.2 secs Computing kpt #: 142 total cpu time spent up to now is 246.9 secs Computing kpt #: 143 total cpu time spent up to now is 248.4 secs Computing kpt #: 144 total cpu time spent up to now is 250.0 secs Computing kpt #: 145 total cpu time spent up to now is 251.8 secs Computing kpt #: 146 total cpu time spent up to now is 253.7 secs Computing kpt #: 147 total cpu time spent up to now is 255.4 secs Computing kpt #: 148 total cpu time spent up to now is 257.1 secs Computing kpt #: 149 total cpu time spent up to now is 258.6 secs Computing kpt #: 150 total cpu time spent up to now is 260.2 secs Computing kpt #: 151 total cpu time spent up to now is 261.8 secs Computing kpt #: 152 total cpu time spent up to now is 263.5 secs Computing kpt #: 153 total cpu time spent up to now is 265.1 secs Computing kpt #: 154 total cpu time spent up to now is 266.7 secs Computing kpt #: 155 total cpu time spent up to now is 268.5 secs Computing kpt #: 156 total cpu time spent up to now is 270.1 secs Computing kpt #: 157 total cpu time spent up to now is 271.8 secs Computing kpt #: 158 total cpu time spent up to now is 273.3 secs Computing kpt #: 159 total cpu time spent up to now is 274.9 secs Computing kpt #: 160 total cpu time spent up to now is 276.4 secs Computing kpt #: 161 total cpu time spent up to now is 278.1 secs Computing kpt #: 162 total cpu time spent up to now is 279.6 secs Computing kpt #: 163 total cpu time spent up to now is 281.2 secs Computing kpt #: 164 total cpu time spent up to now is 282.8 secs Computing kpt #: 165 total cpu time spent up to now is 284.5 secs Computing kpt #: 166 total cpu time spent up to now is 286.0 secs Computing kpt #: 167 total cpu time spent up to now is 287.6 secs Computing kpt #: 168 total cpu time spent up to now is 289.2 secs Computing kpt #: 169 total cpu time spent up to now is 290.8 secs Computing kpt #: 170 total cpu time spent up to now is 292.4 secs Computing kpt #: 171 total cpu time spent up to now is 294.0 secs Computing kpt #: 172 total cpu time spent up to now is 295.6 secs Computing kpt #: 173 total cpu time spent up to now is 297.3 secs Computing kpt #: 174 total cpu time spent up to now is 299.6 secs Computing kpt #: 175 total cpu time spent up to now is 301.6 secs Computing kpt #: 176 total cpu time spent up to now is 304.0 secs Computing kpt #: 177 total cpu time spent up to now is 306.1 secs Computing kpt #: 178 total cpu time spent up to now is 308.0 secs Computing kpt #: 179 total cpu time spent up to now is 309.6 secs Computing kpt #: 180 total cpu time spent up to now is 311.7 secs Computing kpt #: 181 total cpu time spent up to now is 313.4 secs Computing kpt #: 182 total cpu time spent up to now is 315.0 secs Computing kpt #: 183 total cpu time spent up to now is 316.6 secs Computing kpt #: 184 total cpu time spent up to now is 318.1 secs Computing kpt #: 185 total cpu time spent up to now is 319.6 secs Computing kpt #: 186 total cpu time spent up to now is 321.2 secs Computing kpt #: 187 total cpu time spent up to now is 322.8 secs Computing kpt #: 188 total cpu time spent up to now is 324.4 secs Computing kpt #: 189 total cpu time spent up to now is 326.0 secs Computing kpt #: 190 total cpu time spent up to now is 327.7 secs Computing kpt #: 191 total cpu time spent up to now is 329.6 secs Computing kpt #: 192 total cpu time spent up to now is 331.2 secs Computing kpt #: 193 total cpu time spent up to now is 332.9 secs Computing kpt #: 194 total cpu time spent up to now is 334.5 secs Computing kpt #: 195 total cpu time spent up to now is 336.1 secs Computing kpt #: 196 total cpu time spent up to now is 337.8 secs Computing kpt #: 197 total cpu time spent up to now is 339.4 secs Computing kpt #: 198 total cpu time spent up to now is 341.3 secs Computing kpt #: 199 total cpu time spent up to now is 342.8 secs Computing kpt #: 200 total cpu time spent up to now is 344.4 secs Computing kpt #: 201 total cpu time spent up to now is 346.0 secs Computing kpt #: 202 total cpu time spent up to now is 347.6 secs Computing kpt #: 203 total cpu time spent up to now is 350.1 secs Computing kpt #: 204 total cpu time spent up to now is 352.0 secs Computing kpt #: 205 total cpu time spent up to now is 353.6 secs Computing kpt #: 206 total cpu time spent up to now is 355.7 secs Computing kpt #: 207 total cpu time spent up to now is 357.3 secs Computing kpt #: 208 total cpu time spent up to now is 358.9 secs Computing kpt #: 209 total cpu time spent up to now is 360.5 secs Computing kpt #: 210 total cpu time spent up to now is 362.1 secs Computing kpt #: 211 total cpu time spent up to now is 363.8 secs Computing kpt #: 212 total cpu time spent up to now is 365.4 secs Computing kpt #: 213 total cpu time spent up to now is 367.0 secs Computing kpt #: 214 total cpu time spent up to now is 368.6 secs Computing kpt #: 215 total cpu time spent up to now is 370.2 secs Computing kpt #: 216 total cpu time spent up to now is 371.8 secs Computing kpt #: 217 total cpu time spent up to now is 373.4 secs Computing kpt #: 218 total cpu time spent up to now is 375.1 secs Computing kpt #: 219 total cpu time spent up to now is 377.0 secs Computing kpt #: 220 total cpu time spent up to now is 378.8 secs Computing kpt #: 221 total cpu time spent up to now is 380.5 secs Computing kpt #: 222 total cpu time spent up to now is 382.1 secs Computing kpt #: 223 total cpu time spent up to now is 383.8 secs Computing kpt #: 224 total cpu time spent up to now is 385.4 secs Computing kpt #: 225 total cpu time spent up to now is 388.5 secs Computing kpt #: 226 total cpu time spent up to now is 390.9 secs Computing kpt #: 227 total cpu time spent up to now is 393.1 secs Computing kpt #: 228 total cpu time spent up to now is 395.6 secs Computing kpt #: 229 total cpu time spent up to now is 397.9 secs Computing kpt #: 230 total cpu time spent up to now is 401.0 secs Computing kpt #: 231 total cpu time spent up to now is 402.7 secs Computing kpt #: 232 total cpu time spent up to now is 404.4 secs Computing kpt #: 233 total cpu time spent up to now is 406.0 secs Computing kpt #: 234 total cpu time spent up to now is 407.7 secs Computing kpt #: 235 total cpu time spent up to now is 409.4 secs Computing kpt #: 236 total cpu time spent up to now is 411.0 secs Computing kpt #: 237 total cpu time spent up to now is 412.5 secs Computing kpt #: 238 total cpu time spent up to now is 414.1 secs Computing kpt #: 239 total cpu time spent up to now is 415.6 secs Computing kpt #: 240 total cpu time spent up to now is 417.2 secs Computing kpt #: 241 total cpu time spent up to now is 418.7 secs Computing kpt #: 242 total cpu time spent up to now is 420.3 secs Computing kpt #: 243 total cpu time spent up to now is 421.9 secs Computing kpt #: 244 total cpu time spent up to now is 423.4 secs Computing kpt #: 245 total cpu time spent up to now is 425.0 secs Computing kpt #: 246 total cpu time spent up to now is 426.8 secs Computing kpt #: 247 total cpu time spent up to now is 428.3 secs Computing kpt #: 248 total cpu time spent up to now is 429.9 secs Computing kpt #: 249 total cpu time spent up to now is 431.5 secs Computing kpt #: 250 total cpu time spent up to now is 433.1 secs Computing kpt #: 251 total cpu time spent up to now is 434.7 secs ethr = 2.00E-08, avg # of iterations = 14.8 total cpu time spent up to now is 434.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10917 PWs) bands (ev): -50.7061 -50.7061 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3206 -13.3206 -9.9462 -9.9462 -9.8926 -9.8926 -5.5593 -5.5593 -3.8204 -3.8204 -3.6575 -3.6575 -1.9731 -1.9731 -0.5096 -0.5096 -0.4051 -0.4051 -0.3116 -0.3116 0.1933 0.1933 0.6618 0.6618 3.0196 3.0196 3.2347 3.2347 3.3238 3.3238 3.3693 3.3693 3.3696 3.3696 3.5204 3.5204 4.4960 4.4960 4.9143 4.9143 5.5647 5.5647 5.6470 5.6470 k = 0.0000 0.0200-0.0000 ( 10925 PWs) bands (ev): -50.7062 -50.7062 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3204 -13.3204 -9.9466 -9.9466 -9.8930 -9.8930 -5.5581 -5.5581 -3.8206 -3.8206 -3.6561 -3.6561 -1.9727 -1.9727 -0.5099 -0.5099 -0.4056 -0.4056 -0.3124 -0.3124 0.1922 0.1922 0.6620 0.6620 3.0197 3.0197 3.2183 3.2184 3.3036 3.3036 3.3696 3.3696 3.4030 3.4030 3.5232 3.5232 4.4960 4.4960 4.9142 4.9142 5.5633 5.5633 5.6455 5.6455 k = 0.0000 0.0400-0.0000 ( 10915 PWs) bands (ev): -50.7062 -50.7062 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3200 -13.3200 -9.9477 -9.9477 -9.8941 -9.8941 -5.5548 -5.5548 -3.8210 -3.8210 -3.6516 -3.6516 -1.9715 -1.9715 -0.5111 -0.5111 -0.4070 -0.4070 -0.3149 -0.3149 0.1886 0.1886 0.6624 0.6624 3.0198 3.0198 3.1743 3.1743 3.2890 3.2890 3.3700 3.3700 3.4505 3.4505 3.5339 3.5339 4.4961 4.4961 4.9138 4.9138 5.5587 5.5587 5.6414 5.6414 k = 0.0000 0.0600-0.0000 ( 10907 PWs) bands (ev): -50.7062 -50.7062 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3192 -13.3192 -9.9498 -9.9498 -9.8959 -9.8959 -5.5493 -5.5493 -3.8219 -3.8219 -3.6441 -3.6441 -1.9695 -1.9695 -0.5131 -0.5131 -0.4092 -0.4092 -0.3192 -0.3192 0.1826 0.1826 0.6632 0.6632 3.0201 3.0201 3.1187 3.1187 3.2824 3.2824 3.3707 3.3707 3.4855 3.4855 3.5608 3.5608 4.4963 4.4963 4.9133 4.9133 5.5497 5.5497 5.6363 5.6363 k = 0.0000 0.0800-0.0000 ( 10909 PWs) bands (ev): -50.7062 -50.7062 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3182 -13.3182 -9.9529 -9.9529 -9.8980 -9.8980 -5.5419 -5.5419 -3.8232 -3.8232 -3.6333 -3.6333 -1.9667 -1.9667 -0.5160 -0.5160 -0.4122 -0.4122 -0.3255 -0.3255 0.1742 0.1742 0.6642 0.6642 3.0202 3.0202 3.0610 3.0610 3.2780 3.2780 3.3717 3.3717 3.5039 3.5039 3.6048 3.6048 4.4965 4.4965 4.9126 4.9126 5.5352 5.5352 5.6316 5.6316 k = 0.0000 0.1000-0.0000 ( 10913 PWs) bands (ev): -50.7063 -50.7063 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3169 -13.3169 -9.9572 -9.9572 -9.9003 -9.9003 -5.5326 -5.5326 -3.8250 -3.8250 -3.6192 -3.6192 -1.9632 -1.9632 -0.5198 -0.5198 -0.4158 -0.4158 -0.3340 -0.3340 0.1633 0.1633 0.6655 0.6655 3.0031 3.0031 3.0221 3.0221 3.2743 3.2743 3.3728 3.3728 3.5155 3.5155 3.6547 3.6547 4.4967 4.4967 4.9117 4.9117 5.5145 5.5145 5.6287 5.6287 k = 0.0000 0.1200-0.0000 ( 10913 PWs) bands (ev): -50.7063 -50.7063 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3154 -13.3154 -9.9628 -9.9628 -9.9024 -9.9024 -5.5217 -5.5217 -3.8274 -3.8274 -3.6016 -3.6016 -1.9590 -1.9590 -0.5247 -0.5247 -0.4199 -0.4199 -0.3448 -0.3448 0.1501 0.1501 0.6671 0.6671 2.9502 2.9502 3.0220 3.0220 3.2708 3.2708 3.3742 3.3742 3.5256 3.5256 3.7046 3.7046 4.4971 4.4971 4.9108 4.9108 5.4881 5.4881 5.6278 5.6278 k = 0.0000 0.1400-0.0000 ( 10909 PWs) bands (ev): -50.7063 -50.7063 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3136 -13.3136 -9.9698 -9.9698 -9.9042 -9.9042 -5.5094 -5.5094 -3.8303 -3.8303 -3.5804 -3.5804 -1.9541 -1.9541 -0.5307 -0.5307 -0.4247 -0.4247 -0.3582 -0.3582 0.1347 0.1347 0.6688 0.6688 2.9010 2.9010 3.0227 3.0227 3.2676 3.2676 3.3756 3.3756 3.5358 3.5358 3.7522 3.7522 4.4974 4.4974 4.9099 4.9099 5.4571 5.4571 5.6284 5.6284 k = 0.0000 0.1600-0.0000 ( 10911 PWs) bands (ev): -50.7063 -50.7063 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3117 -13.3117 -9.9781 -9.9781 -9.9057 -9.9057 -5.4961 -5.4961 -3.8338 -3.8338 -3.5557 -3.5557 -1.9487 -1.9487 -0.5379 -0.5379 -0.4305 -0.4305 -0.3739 -0.3739 0.1173 0.1173 0.6707 0.6707 2.8569 2.8569 3.0235 3.0235 3.2650 3.2650 3.3771 3.3771 3.5465 3.5465 3.7966 3.7966 4.4978 4.4978 4.9091 4.9091 5.4226 5.4226 5.6303 5.6303 k = 0.0000 0.1800-0.0000 ( 10899 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3095 -13.3095 -9.9876 -9.9876 -9.9067 -9.9067 -5.4820 -5.4820 -3.8377 -3.8377 -3.5274 -3.5274 -1.9427 -1.9427 -0.5463 -0.5463 -0.4388 -0.4388 -0.3907 -0.3907 0.0983 0.0983 0.6728 0.6728 2.8186 2.8186 3.0245 3.0245 3.2630 3.2630 3.3786 3.3786 3.5579 3.5579 3.8373 3.8373 4.4983 4.4983 4.9086 4.9086 5.3856 5.3856 5.6330 5.6330 k = 0.0000 0.2000-0.0000 ( 10883 PWs) bands (ev): -50.7062 -50.7062 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3073 -13.3073 -9.9980 -9.9980 -9.9074 -9.9074 -5.4674 -5.4674 -3.8419 -3.8419 -3.4957 -3.4957 -1.9364 -1.9364 -0.5561 -0.5561 -0.4529 -0.4529 -0.4056 -0.4056 0.0784 0.0784 0.6751 0.6751 2.7864 2.7864 3.0256 3.0256 3.2620 3.2620 3.3802 3.3802 3.5698 3.5698 3.8741 3.8741 4.4988 4.4988 4.9085 4.9085 5.3472 5.3472 5.6363 5.6363 k = 0.0000 0.2200-0.0000 ( 10875 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3049 -13.3049 -10.0091 -10.0091 -9.9077 -9.9077 -5.4526 -5.4526 -3.8464 -3.8464 -3.4606 -3.4606 -1.9297 -1.9297 -0.5674 -0.5674 -0.4757 -0.4757 -0.4155 -0.4155 0.0579 0.0579 0.6774 0.6774 2.7604 2.7604 3.0268 3.0268 3.2622 3.2622 3.3818 3.3818 3.5822 3.5822 3.9066 3.9066 4.4994 4.4994 4.9090 4.9090 5.3080 5.3080 5.6400 5.6400 k = 0.0000 0.2400-0.0000 ( 10871 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3025 -13.3025 -10.0206 -10.0206 -9.9079 -9.9079 -5.4378 -5.4378 -3.8510 -3.8510 -3.4225 -3.4225 -1.9228 -1.9228 -0.5809 -0.5809 -0.5057 -0.5057 -0.4213 -0.4213 0.0377 0.0377 0.6799 0.6799 2.7406 2.7406 3.0281 3.0281 3.2639 3.2639 3.3833 3.3833 3.5950 3.5950 3.9347 3.9347 4.5000 4.5000 4.9103 4.9103 5.2689 5.2689 5.6440 5.6440 k = 0.0000 0.2600-0.0000 ( 10873 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3000 -13.3000 -10.0323 -10.0323 -9.9078 -9.9078 -5.4234 -5.4234 -3.8556 -3.8556 -3.3817 -3.3817 -1.9157 -1.9157 -0.5992 -0.5992 -0.5383 -0.5383 -0.4248 -0.4248 0.0182 0.0182 0.6824 0.6824 2.7265 2.7265 3.0294 3.0294 3.2671 3.2671 3.3847 3.3847 3.6081 3.6081 3.9582 3.9582 4.5006 4.5006 4.9126 4.9126 5.2304 5.2304 5.6481 5.6481 k = 0.0000 0.2800-0.0000 ( 10877 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2976 -13.2976 -10.0440 -10.0440 -9.9076 -9.9076 -5.4096 -5.4096 -3.8603 -3.8603 -3.3385 -3.3385 -1.9087 -1.9087 -0.6273 -0.6273 -0.5667 -0.5667 -0.4271 -0.4271 -0.0002 -0.0002 0.6849 0.6849 2.7177 2.7177 3.0309 3.0309 3.2722 3.2722 3.3861 3.3861 3.6211 3.6211 3.9772 3.9772 4.5012 4.5012 4.9159 4.9159 5.1932 5.1932 5.6523 5.6523 k = 0.0000 0.3000-0.0000 ( 10885 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2952 -13.2952 -10.0555 -10.0555 -9.9073 -9.9073 -5.3965 -5.3965 -3.8647 -3.8647 -3.2936 -3.2936 -1.9017 -1.9017 -0.6680 -0.6680 -0.5867 -0.5867 -0.4288 -0.4288 -0.0170 -0.0170 0.6874 0.6874 2.7133 2.7133 3.0324 3.0324 3.2792 3.2792 3.3875 3.3875 3.6341 3.6341 3.9915 3.9915 4.5019 4.5019 4.9205 4.9205 5.1576 5.1576 5.6564 5.6564 k = 0.0000 0.3200-0.0000 ( 10869 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2929 -13.2929 -10.0664 -10.0664 -9.9070 -9.9070 -5.3843 -5.3843 -3.8690 -3.8690 -3.2475 -3.2475 -1.8950 -1.8950 -0.7167 -0.7167 -0.6015 -0.6015 -0.4299 -0.4299 -0.0322 -0.0322 0.6898 0.6898 2.7125 2.7125 3.0339 3.0339 3.2881 3.2881 3.3888 3.3888 3.6467 3.6467 4.0013 4.0013 4.5026 4.5026 4.9264 4.9264 5.1242 5.1242 5.6604 5.6604 k = 0.0000 0.3400-0.0000 ( 10857 PWs) bands (ev): -50.7061 -50.7061 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2907 -13.2907 -10.0768 -10.0768 -9.9066 -9.9066 -5.3732 -5.3732 -3.8729 -3.8729 -3.2012 -3.2012 -1.8887 -1.8887 -0.7692 -0.7692 -0.6136 -0.6136 -0.4307 -0.4307 -0.0456 -0.0456 0.6921 0.6921 2.7146 2.7146 3.0353 3.0353 3.2989 3.2989 3.3902 3.3902 3.6587 3.6587 4.0069 4.0069 4.5032 4.5032 4.9336 4.9336 5.0934 5.0934 5.6642 5.6642 k = 0.0000 0.3600-0.0000 ( 10859 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2887 -13.2887 -10.0863 -10.0863 -9.9063 -9.9063 -5.3632 -5.3632 -3.8765 -3.8765 -3.1556 -3.1556 -1.8829 -1.8829 -0.8225 -0.8225 -0.6241 -0.6241 -0.4313 -0.4313 -0.0573 -0.0573 0.6942 0.6942 2.7184 2.7184 3.0368 3.0368 3.3112 3.3112 3.3915 3.3915 3.6700 3.6700 4.0086 4.0086 4.5039 4.5039 4.9418 4.9418 5.0655 5.0655 5.6677 5.6677 k = 0.0000 0.3800-0.0000 ( 10851 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2868 -13.2868 -10.0949 -10.0949 -9.9059 -9.9059 -5.3545 -5.3545 -3.8798 -3.8798 -3.1118 -3.1118 -1.8776 -1.8776 -0.8745 -0.8745 -0.6333 -0.6333 -0.4317 -0.4317 -0.0673 -0.0673 0.6962 0.6962 2.7234 2.7234 3.0381 3.0381 3.3244 3.3244 3.3930 3.3930 3.6803 3.6803 4.0071 4.0071 4.5045 4.5045 4.9506 4.9506 5.0410 5.0410 5.6708 5.6708 k = 0.0000 0.4000-0.0000 ( 10865 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2852 -13.2852 -10.1024 -10.1024 -9.9056 -9.9056 -5.3470 -5.3470 -3.8825 -3.8825 -3.0712 -3.0712 -1.8730 -1.8730 -0.9231 -0.9231 -0.6412 -0.6412 -0.4319 -0.4319 -0.0756 -0.0756 0.6979 0.6979 2.7287 2.7287 3.0393 3.0393 3.3379 3.3379 3.3947 3.3947 3.6894 3.6894 4.0030 4.0030 4.5051 4.5051 4.9594 4.9594 5.0204 5.0204 5.6736 5.6736 k = 0.0000 0.4200-0.0000 ( 10865 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2839 -13.2839 -10.1087 -10.1087 -9.9053 -9.9053 -5.3409 -5.3409 -3.8849 -3.8849 -3.0351 -3.0351 -1.8692 -1.8692 -0.9664 -0.9664 -0.6478 -0.6478 -0.4321 -0.4321 -0.0823 -0.0823 0.6993 0.6993 2.7337 2.7337 3.0403 3.0403 3.3505 3.3505 3.3968 3.3968 3.6971 3.6971 3.9974 3.9974 4.5056 4.5056 4.9667 4.9667 5.0048 5.0048 5.6760 5.6760 k = 0.0000 0.4400-0.0000 ( 10881 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2828 -13.2828 -10.1137 -10.1137 -9.9051 -9.9051 -5.3361 -5.3361 -3.8867 -3.8867 -3.0051 -3.0051 -1.8662 -1.8662 -1.0025 -1.0025 -0.6531 -0.6531 -0.4322 -0.4322 -0.0875 -0.0875 0.7004 0.7004 2.7381 2.7381 3.0411 3.0411 3.3609 3.3609 3.3996 3.3996 3.7033 3.7033 3.9914 3.9914 4.5060 4.5060 4.9694 4.9694 4.9966 4.9966 5.6778 5.6778 k = 0.0000 0.4600-0.0000 ( 10885 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2820 -13.2820 -10.1173 -10.1173 -9.9049 -9.9049 -5.3327 -5.3327 -3.8880 -3.8880 -2.9824 -2.9824 -1.8641 -1.8641 -1.0296 -1.0296 -0.6569 -0.6569 -0.4323 -0.4323 -0.0912 -0.0912 0.7013 0.7013 2.7414 2.7414 3.0418 3.0418 3.3682 3.3682 3.4028 3.4028 3.7078 3.7078 3.9860 3.9860 4.5063 4.5063 4.9663 4.9663 4.9964 4.9964 5.6792 5.6793 k = 0.0000 0.4800-0.0000 ( 10883 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2815 -13.2815 -10.1195 -10.1195 -9.9048 -9.9048 -5.3306 -5.3306 -3.8888 -3.8888 -2.9683 -2.9683 -1.8628 -1.8628 -1.0465 -1.0465 -0.6592 -0.6592 -0.4323 -0.4323 -0.0934 -0.0934 0.7018 0.7018 2.7434 2.7434 3.0421 3.0421 3.3722 3.3722 3.4056 3.4056 3.7106 3.7106 3.9823 3.9823 4.5065 4.5065 4.9624 4.9624 4.9987 4.9987 5.6801 5.6802 k = 0.0000 0.5000-0.0000 ( 10884 PWs) bands (ev): -50.7060 -50.7060 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2814 -13.2814 -10.1202 -10.1202 -9.9047 -9.9047 -5.3300 -5.3300 -3.8891 -3.8891 -2.9635 -2.9635 -1.8624 -1.8624 -1.0523 -1.0523 -0.6600 -0.6600 -0.4323 -0.4323 -0.0941 -0.0941 0.7020 0.7020 2.7441 2.7441 3.0423 3.0423 3.3735 3.3735 3.4066 3.4066 3.7115 3.7115 3.9810 3.9810 4.5066 4.5066 4.9609 4.9609 4.9998 4.9998 5.6805 5.6805 k = 0.0000 0.5000-0.0000 ( 10884 PWs) bands (ev): -50.7060 -50.7060 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2814 -13.2814 -10.1202 -10.1202 -9.9047 -9.9047 -5.3300 -5.3300 -3.8891 -3.8891 -2.9635 -2.9635 -1.8624 -1.8624 -1.0523 -1.0523 -0.6600 -0.6600 -0.4323 -0.4323 -0.0941 -0.0941 0.7020 0.7020 2.7441 2.7441 3.0423 3.0423 3.3735 3.3735 3.4066 3.4066 3.7115 3.7115 3.9810 3.9810 4.5066 4.5066 4.9609 4.9609 4.9998 4.9998 5.6805 5.6805 k = 0.0200 0.5000-0.0000 ( 10888 PWs) bands (ev): -50.7061 -50.7061 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2812 -13.2812 -10.1201 -10.1201 -9.9055 -9.9055 -5.3287 -5.3287 -3.8883 -3.8883 -2.9630 -2.9630 -1.8620 -1.8620 -1.0523 -1.0523 -0.6600 -0.6600 -0.4330 -0.4330 -0.0954 -0.0954 0.7021 0.7021 2.7420 2.7420 3.0423 3.0423 3.3314 3.3314 3.4486 3.4486 3.7127 3.7127 3.9815 3.9815 4.5066 4.5066 4.9611 4.9611 4.9998 4.9998 5.6773 5.6773 k = 0.0400 0.5000-0.0000 ( 10884 PWs) bands (ev): -50.7061 -50.7061 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2808 -13.2808 -10.1200 -10.1200 -9.9080 -9.9080 -5.3251 -5.3251 -3.8862 -3.8862 -2.9617 -2.9617 -1.8607 -1.8607 -1.0526 -1.0526 -0.6599 -0.6599 -0.4351 -0.4351 -0.0993 -0.0993 0.7025 0.7025 2.7355 2.7355 3.0425 3.0425 3.2775 3.2775 3.5019 3.5019 3.7162 3.7162 3.9830 3.9830 4.5067 4.5067 4.9620 4.9620 4.9998 4.9998 5.6679 5.6679 k = 0.0600 0.5000-0.0000 ( 10886 PWs) bands (ev): -50.7061 -50.7061 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2800 -13.2800 -10.1198 -10.1198 -9.9120 -9.9120 -5.3192 -5.3192 -3.8825 -3.8825 -2.9596 -2.9596 -1.8586 -1.8586 -1.0529 -1.0529 -0.6599 -0.6599 -0.4385 -0.4385 -0.1060 -0.1060 0.7031 0.7031 2.7250 2.7250 3.0427 3.0427 3.2253 3.2253 3.5526 3.5526 3.7223 3.7223 3.9858 3.9858 4.5069 4.5069 4.9634 4.9634 4.9998 4.9998 5.6527 5.6527 k = 0.0800 0.5000-0.0000 ( 10878 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2790 -13.2790 -10.1195 -10.1195 -9.9174 -9.9174 -5.3112 -5.3112 -3.8773 -3.8773 -2.9564 -2.9564 -1.8557 -1.8557 -1.0535 -1.0535 -0.6599 -0.6599 -0.4431 -0.4431 -0.1157 -0.1157 0.7039 0.7039 2.7107 2.7107 3.0430 3.0430 3.1766 3.1766 3.5983 3.5983 3.7314 3.7314 3.9904 3.9904 4.5070 4.5070 4.9652 4.9652 4.9999 4.9999 5.6322 5.6322 k = 0.1000 0.5000-0.0000 ( 10868 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2777 -13.2777 -10.1192 -10.1192 -9.9243 -9.9243 -5.3012 -5.3012 -3.8705 -3.8705 -2.9523 -2.9523 -1.8521 -1.8521 -1.0542 -1.0542 -0.6598 -0.6598 -0.4489 -0.4489 -0.1288 -0.1288 0.7049 0.7049 2.6934 2.6934 3.0434 3.0434 3.1320 3.1320 3.6372 3.6372 3.7436 3.7436 3.9974 3.9974 4.5073 4.5073 4.9675 4.9675 5.0002 5.0002 5.6069 5.6069 k = 0.1200 0.5000-0.0000 ( 10868 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2761 -13.2761 -10.1188 -10.1188 -9.9324 -9.9324 -5.2896 -5.2896 -3.8620 -3.8620 -2.9471 -2.9471 -1.8477 -1.8477 -1.0553 -1.0553 -0.6598 -0.6598 -0.4559 -0.4559 -0.1456 -0.1456 0.7060 0.7060 2.6740 2.6740 3.0439 3.0439 3.0922 3.0922 3.6681 3.6681 3.7587 3.7587 4.0077 4.0077 4.5076 4.5076 4.9702 4.9702 5.0006 5.0006 5.5775 5.5775 k = 0.1400 0.5000-0.0000 ( 10874 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2744 -13.2744 -10.1183 -10.1183 -9.9417 -9.9417 -5.2767 -5.2767 -3.8518 -3.8518 -2.9407 -2.9407 -1.8427 -1.8427 -1.0565 -1.0565 -0.6598 -0.6598 -0.4638 -0.4638 -0.1664 -0.1664 0.7072 0.7072 2.6539 2.6539 3.0440 3.0440 3.0575 3.0575 3.6917 3.6917 3.7747 3.7747 4.0218 4.0218 4.5080 4.5080 4.9731 4.9731 5.0014 5.0014 5.5447 5.5447 k = 0.1600 0.5000-0.0000 ( 10868 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2724 -13.2724 -10.1179 -10.1179 -9.9518 -9.9518 -5.2628 -5.2628 -3.8398 -3.8398 -2.9331 -2.9331 -1.8370 -1.8370 -1.0582 -1.0582 -0.6599 -0.6599 -0.4725 -0.4725 -0.1915 -0.1915 0.7085 0.7085 2.6346 2.6346 3.0253 3.0253 3.0460 3.0460 3.7102 3.7102 3.7885 3.7885 4.0400 4.0400 4.5084 4.5084 4.9761 4.9761 5.0025 5.0025 5.5093 5.5093 k = 0.1800 0.5000-0.0000 ( 10872 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2702 -13.2702 -10.1174 -10.1174 -9.9628 -9.9628 -5.2482 -5.2482 -3.8261 -3.8261 -2.9240 -2.9240 -1.8308 -1.8308 -1.0602 -1.0602 -0.6601 -0.6601 -0.4820 -0.4820 -0.2213 -0.2213 0.7098 0.7098 2.6176 2.6176 2.9984 2.9984 3.0466 3.0466 3.7257 3.7257 3.7985 3.7985 4.0616 4.0616 4.5088 4.5088 4.9792 4.9792 5.0042 5.0042 5.4720 5.4720 k = 0.2000 0.5000-0.0000 ( 10860 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2679 -13.2679 -10.1168 -10.1168 -9.9743 -9.9743 -5.2334 -5.2334 -3.8107 -3.8107 -2.9133 -2.9133 -1.8242 -1.8242 -1.0628 -1.0628 -0.6604 -0.6604 -0.4921 -0.4921 -0.2555 -0.2555 0.7111 0.7111 2.6042 2.6042 2.9745 2.9745 3.0475 3.0475 3.7393 3.7393 3.8042 3.8042 4.0854 4.0854 4.5093 4.5093 4.9823 4.9823 5.0065 5.0065 5.4336 5.4336 k = 0.2200 0.5000-0.0000 ( 10868 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2655 -13.2655 -10.1164 -10.1164 -9.9862 -9.9862 -5.2186 -5.2186 -3.7937 -3.7937 -2.9010 -2.9010 -1.8172 -1.8172 -1.0660 -1.0660 -0.6609 -0.6609 -0.5025 -0.5025 -0.2942 -0.2942 0.7125 0.7125 2.5956 2.5956 2.9532 2.9532 3.0486 3.0486 3.7510 3.7510 3.8067 3.8067 4.1101 4.1101 4.5098 4.5098 4.9854 4.9854 5.0094 5.0094 5.3947 5.3947 k = 0.2400 0.5000-0.0000 ( 10850 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2631 -13.2631 -10.1159 -10.1159 -9.9982 -9.9982 -5.2041 -5.2041 -3.7754 -3.7754 -2.8869 -2.8869 -1.8100 -1.8100 -1.0699 -1.0699 -0.6616 -0.6616 -0.5132 -0.5132 -0.3367 -0.3367 0.7139 0.7139 2.5925 2.5925 2.9341 2.9341 3.0498 3.0498 3.7598 3.7598 3.8079 3.8079 4.1346 4.1346 4.5104 4.5104 4.9886 4.9886 5.0128 5.0128 5.3560 5.3560 k = 0.2600 0.5000-0.0000 ( 10842 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2606 -13.2606 -10.1156 -10.1156 -10.0102 -10.0102 -5.1903 -5.1903 -3.7560 -3.7560 -2.8708 -2.8708 -1.8026 -1.8026 -1.0748 -1.0748 -0.6625 -0.6625 -0.5242 -0.5242 -0.3824 -0.3824 0.7153 0.7153 2.5951 2.5951 2.9170 2.9170 3.0511 3.0511 3.7634 3.7634 3.8108 3.8108 4.1578 4.1578 4.5109 4.5109 4.9921 4.9921 5.0166 5.0166 5.3180 5.3180 k = 0.2800 0.5000-0.0000 ( 10846 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2581 -13.2581 -10.1154 -10.1154 -10.0219 -10.0219 -5.1773 -5.1773 -3.7359 -3.7359 -2.8528 -2.8528 -1.7953 -1.7953 -1.0809 -1.0809 -0.6638 -0.6638 -0.5356 -0.5356 -0.4299 -0.4299 0.7167 0.7167 2.6034 2.6034 2.9015 2.9015 3.0524 3.0524 3.7602 3.7602 3.8175 3.8175 4.1793 4.1793 4.5115 4.5115 4.9959 4.9959 5.0206 5.0206 5.2813 5.2813 k = 0.3000 0.5000-0.0000 ( 10838 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2557 -13.2557 -10.1153 -10.1153 -10.0330 -10.0330 -5.1653 -5.1653 -3.7155 -3.7155 -2.8329 -2.8329 -1.7880 -1.7880 -1.0883 -1.0883 -0.6655 -0.6655 -0.5483 -0.5483 -0.4769 -0.4769 0.7181 0.7181 2.6171 2.6171 2.8876 2.8876 3.0538 3.0538 3.7514 3.7514 3.8271 3.8271 4.1987 4.1987 4.5121 4.5121 5.0003 5.0003 5.0246 5.0246 5.2464 5.2464 k = 0.3200 0.5000-0.0000 ( 10838 PWs) bands (ev): -50.7060 -50.7060 -50.6702 -50.6702 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2533 -13.2533 -10.1154 -10.1154 -10.0435 -10.0435 -5.1544 -5.1544 -3.6953 -3.6953 -2.8113 -2.8113 -1.7809 -1.7809 -1.0975 -1.0975 -0.6677 -0.6677 -0.5662 -0.5662 -0.5178 -0.5178 0.7195 0.7195 2.6355 2.6355 2.8752 2.8752 3.0553 3.0553 3.7388 3.7388 3.8379 3.8379 4.2157 4.2157 4.5126 4.5126 5.0053 5.0053 5.0285 5.0285 5.2137 5.2137 k = 0.3400 0.5000-0.0000 ( 10836 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2511 -13.2511 -10.1159 -10.1159 -10.0530 -10.0530 -5.1447 -5.1447 -3.6758 -3.6758 -2.7881 -2.7881 -1.7743 -1.7743 -1.1086 -1.1086 -0.6706 -0.6706 -0.5970 -0.5970 -0.5429 -0.5429 0.7208 0.7208 2.6578 2.6578 2.8642 2.8642 3.0567 3.0567 3.7238 3.7238 3.8489 3.8489 4.2304 4.2304 4.5132 4.5132 5.0108 5.0108 5.0319 5.0319 5.1839 5.1839 k = 0.3600 0.5000-0.0000 ( 10828 PWs) bands (ev): -50.7060 -50.7060 -50.6702 -50.6702 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2491 -13.2491 -10.1166 -10.1166 -10.0614 -10.0614 -5.1363 -5.1363 -3.6573 -3.6573 -2.7640 -2.7640 -1.7681 -1.7681 -1.1218 -1.1218 -0.6753 -0.6753 -0.6346 -0.6346 -0.5557 -0.5557 0.7221 0.7221 2.6826 2.6826 2.8546 2.8546 3.0580 3.0580 3.7070 3.7070 3.8596 3.8596 4.2427 4.2427 4.5137 4.5137 5.0167 5.0167 5.0349 5.0349 5.1573 5.1573 k = 0.3800 0.5000-0.0000 ( 10820 PWs) bands (ev): -50.7060 -50.7060 -50.6702 -50.6702 -28.7228 -28.7228 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2472 -13.2472 -10.1177 -10.1177 -10.0684 -10.0684 -5.1291 -5.1291 -3.6405 -3.6405 -2.7396 -2.7396 -1.7626 -1.7626 -1.1369 -1.1369 -0.6888 -0.6888 -0.6626 -0.6626 -0.5639 -0.5639 0.7233 0.7233 2.7087 2.7087 2.8466 2.8466 3.0593 3.0593 3.6894 3.6894 3.8694 3.8694 4.2529 4.2529 4.5142 4.5142 5.0227 5.0227 5.0372 5.0372 5.1344 5.1344 k = 0.4000 0.5000-0.0000 ( 10802 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2456 -13.2456 -10.1192 -10.1192 -10.0741 -10.0741 -5.1231 -5.1231 -3.6257 -3.6257 -2.7159 -2.7159 -1.7578 -1.7578 -1.1535 -1.1535 -0.7164 -0.7164 -0.6718 -0.6718 -0.5699 -0.5699 0.7243 0.7243 2.7345 2.7345 2.8404 2.8404 3.0605 3.0605 3.6718 3.6718 3.8781 3.8781 4.2611 4.2611 4.5146 4.5146 5.0281 5.0281 5.0388 5.0388 5.1158 5.1158 k = 0.4200 0.5000-0.0000 ( 10802 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8768 -26.8768 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2442 -13.2442 -10.1208 -10.1208 -10.0785 -10.0785 -5.1183 -5.1183 -3.6132 -3.6132 -2.6939 -2.6939 -1.7538 -1.7538 -1.1705 -1.1705 -0.7430 -0.7430 -0.6758 -0.6758 -0.5744 -0.5744 0.7252 0.7252 2.7579 2.7579 2.8362 2.8362 3.0615 3.0615 3.6550 3.6550 3.8856 3.8856 4.2674 4.2674 4.5150 4.5150 5.0311 5.0311 5.0409 5.0409 5.1019 5.1019 k = 0.4400 0.5000-0.0000 ( 10796 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2431 -13.2431 -10.1225 -10.1225 -10.0815 -10.0815 -5.1146 -5.1146 -3.6032 -3.6032 -2.6749 -2.6749 -1.7506 -1.7506 -1.1864 -1.1864 -0.7640 -0.7640 -0.6785 -0.6785 -0.5777 -0.5777 0.7260 0.7260 2.7768 2.7768 2.8346 2.8346 3.0623 3.0623 3.6403 3.6403 3.8916 3.8916 4.2721 4.2721 4.5154 4.5154 5.0306 5.0306 5.0444 5.0444 5.0927 5.0927 k = 0.4600 0.5000-0.0000 ( 10792 PWs) bands (ev): -50.7060 -50.7060 -50.6700 -50.6700 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2423 -13.2423 -10.1239 -10.1239 -10.0836 -10.0836 -5.1120 -5.1120 -3.5959 -3.5959 -2.6602 -2.6602 -1.7484 -1.7484 -1.1994 -1.1994 -0.7789 -0.7789 -0.6805 -0.6805 -0.5800 -0.5800 0.7265 0.7265 2.7893 2.7893 2.8359 2.8359 3.0629 3.0629 3.6286 3.6286 3.8959 3.8959 4.2753 4.2753 4.5156 4.5156 5.0283 5.0283 5.0478 5.0478 5.0875 5.0875 k = 0.4800 0.5000-0.0000 ( 10784 PWs) bands (ev): -50.7060 -50.7060 -50.6700 -50.6700 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2418 -13.2418 -10.1248 -10.1248 -10.0847 -10.0847 -5.1104 -5.1104 -3.5916 -3.5916 -2.6509 -2.6509 -1.7471 -1.7471 -1.2080 -1.2080 -0.7876 -0.7876 -0.6817 -0.6817 -0.5813 -0.5813 0.7268 0.7268 2.7954 2.7954 2.8388 2.8388 3.0633 3.0633 3.6211 3.6211 3.8986 3.8986 4.2772 4.2772 4.5157 4.5157 5.0262 5.0262 5.0500 5.0500 5.0851 5.0851 k = 0.5000 0.5000-0.0000 ( 10768 PWs) bands (ev): -50.7059 -50.7059 -50.6699 -50.6699 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2417 -13.2417 -10.1251 -10.1251 -10.0850 -10.0850 -5.1099 -5.1099 -3.5901 -3.5901 -2.6477 -2.6477 -1.7466 -1.7466 -1.2110 -1.2110 -0.7905 -0.7905 -0.6821 -0.6821 -0.5817 -0.5817 0.7269 0.7269 2.7971 2.7971 2.8402 2.8402 3.0635 3.0635 3.6185 3.6185 3.8995 3.8995 4.2778 4.2778 4.5158 4.5158 5.0254 5.0254 5.0508 5.0508 5.0844 5.0844 k = 0.5000 0.5000-0.0000 ( 10768 PWs) bands (ev): -50.7059 -50.7059 -50.6699 -50.6699 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2417 -13.2417 -10.1251 -10.1251 -10.0850 -10.0850 -5.1099 -5.1099 -3.5901 -3.5901 -2.6477 -2.6477 -1.7466 -1.7466 -1.2110 -1.2110 -0.7905 -0.7905 -0.6821 -0.6821 -0.5817 -0.5817 0.7269 0.7269 2.7971 2.7971 2.8402 2.8402 3.0635 3.0635 3.6185 3.6185 3.8995 3.8995 4.2778 4.2778 4.5158 4.5158 5.0254 5.0254 5.0508 5.0508 5.0844 5.0844 k = 0.4857 0.4857-0.0000 ( 10784 PWs) bands (ev): -50.7059 -50.7059 -50.6700 -50.6700 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2418 -13.2418 -10.1248 -10.1248 -10.0847 -10.0847 -5.1104 -5.1104 -3.5916 -3.5916 -2.6510 -2.6510 -1.7471 -1.7471 -1.2079 -1.2079 -0.7876 -0.7876 -0.6817 -0.6817 -0.5813 -0.5813 0.7268 0.7268 2.7955 2.7955 2.8386 2.8386 3.0633 3.0633 3.6212 3.6212 3.8986 3.8986 4.2772 4.2772 4.5157 4.5157 5.0263 5.0263 5.0500 5.0500 5.0850 5.0850 k = 0.4714 0.4714-0.0000 ( 10800 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2423 -13.2423 -10.1238 -10.1238 -10.0836 -10.0836 -5.1120 -5.1120 -3.5960 -3.5960 -2.6607 -2.6607 -1.7484 -1.7484 -1.1988 -1.1988 -0.7788 -0.7788 -0.6804 -0.6804 -0.5800 -0.5800 0.7265 0.7265 2.7906 2.7906 2.8343 2.8343 3.0629 3.0629 3.6289 3.6289 3.8958 3.8958 4.2753 4.2753 4.5156 4.5156 5.0289 5.0289 5.0475 5.0475 5.0872 5.0872 k = 0.4571 0.4571-0.0000 ( 10808 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2432 -13.2432 -10.1221 -10.1221 -10.0818 -10.0818 -5.1147 -5.1147 -3.6033 -3.6033 -2.6766 -2.6766 -1.7507 -1.7507 -1.1838 -1.1838 -0.7645 -0.7645 -0.6784 -0.6784 -0.5778 -0.5778 0.7259 0.7259 2.7822 2.7822 2.8278 2.8278 3.0623 3.0623 3.6413 3.6413 3.8913 3.8913 4.2721 4.2721 4.5153 4.5153 5.0332 5.0332 5.0432 5.0432 5.0911 5.0911 k = 0.4429 0.4429-0.0000 ( 10803 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2443 -13.2443 -10.1197 -10.1197 -10.0792 -10.0792 -5.1184 -5.1184 -3.6130 -3.6130 -2.6981 -2.6981 -1.7539 -1.7539 -1.1634 -1.1634 -0.7450 -0.7450 -0.6754 -0.6754 -0.5747 -0.5747 0.7251 0.7251 2.7705 2.7705 2.8201 2.8201 3.0614 3.0614 3.6574 3.6574 3.8851 3.8851 4.2676 4.2676 4.5150 4.5150 5.0371 5.0371 5.0393 5.0393 5.0968 5.0968 k = 0.4286 0.4286-0.0000 ( 10817 PWs) bands (ev): -50.7060 -50.7060 -50.6702 -50.6702 -28.7228 -28.7228 -28.5550 -28.5550 -26.8768 -26.8768 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2457 -13.2457 -10.1167 -10.1167 -10.0760 -10.0760 -5.1234 -5.1234 -3.6250 -3.6250 -2.7247 -2.7247 -1.7580 -1.7580 -1.1382 -1.1382 -0.7210 -0.7210 -0.6713 -0.6713 -0.5707 -0.5707 0.7242 0.7242 2.7558 2.7558 2.8118 2.8118 3.0603 3.0603 3.6764 3.6764 3.8772 3.8772 4.2616 4.2616 4.5145 4.5145 5.0296 5.0296 5.0470 5.0470 5.1043 5.1043 k = 0.4143 0.4143-0.0000 ( 10827 PWs) bands (ev): -50.7060 -50.7060 -50.6702 -50.6702 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6164 -26.6164 -26.4383 -26.4383 -26.3328 -26.3328 -13.2475 -13.2475 -10.1131 -10.1131 -10.0721 -10.0721 -5.1295 -5.1295 -3.6388 -3.6388 -2.7557 -2.7557 -1.7630 -1.7630 -1.1088 -1.1088 -0.6941 -0.6941 -0.6652 -0.6652 -0.5656 -0.5656 0.7230 0.7230 2.7391 2.7391 2.8034 2.8034 3.0590 3.0590 3.6973 3.6973 3.8677 3.8677 4.2542 4.2542 4.5140 4.5140 5.0208 5.0208 5.0563 5.0563 5.1137 5.1137 k = 0.4000 0.4000-0.0000 ( 10835 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2495 -13.2495 -10.1088 -10.1088 -10.0676 -10.0676 -5.1369 -5.1369 -3.6540 -3.6540 -2.7905 -2.7905 -1.7688 -1.7688 -1.0757 -1.0757 -0.6720 -0.6720 -0.6503 -0.6503 -0.5592 -0.5592 0.7216 0.7216 2.7213 2.7213 2.7949 2.7949 3.0575 3.0575 3.7190 3.7190 3.8569 3.8569 4.2451 4.2451 4.5134 4.5134 5.0112 5.0112 5.0672 5.0672 5.1248 5.1248 k = 0.3857 0.3857-0.0000 ( 10839 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2517 -13.2517 -10.1040 -10.1040 -10.0624 -10.0624 -5.1457 -5.1457 -3.6702 -3.6702 -2.8283 -2.8283 -1.7754 -1.7754 -1.0398 -1.0398 -0.6621 -0.6621 -0.6206 -0.6206 -0.5507 -0.5507 0.7200 0.7200 2.7033 2.7033 2.7867 2.7867 3.0559 3.0559 3.7406 3.7406 3.8450 3.8450 4.2344 4.2344 4.5127 4.5127 5.0009 5.0009 5.0796 5.0796 5.1376 5.1376 k = 0.3714 0.3714-0.0000 ( 10847 PWs) bands (ev): -50.7060 -50.7060 -50.6703 -50.6703 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2542 -13.2542 -10.0987 -10.0987 -10.0567 -10.0567 -5.1558 -5.1558 -3.6869 -3.6869 -2.8687 -2.8687 -1.7829 -1.7829 -1.0015 -1.0015 -0.6551 -0.6551 -0.5887 -0.5887 -0.5374 -0.5374 0.7182 0.7182 2.6860 2.6860 2.7790 2.7790 3.0541 3.0541 3.7608 3.7608 3.8328 3.8328 4.2220 4.2220 4.5120 4.5120 4.9904 4.9904 5.0934 5.0934 5.1520 5.1520 k = 0.3571 0.3571-0.0000 ( 10859 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2570 -13.2570 -10.0928 -10.0928 -10.0504 -10.0504 -5.1673 -5.1673 -3.7037 -3.7037 -2.9109 -2.9109 -1.7910 -1.7910 -0.9616 -0.9616 -0.6481 -0.6481 -0.5642 -0.5642 -0.5132 -0.5132 0.7162 0.7162 2.6702 2.6702 2.7720 2.7720 3.0522 3.0522 3.7769 3.7769 3.8222 3.8222 4.2077 4.2077 4.5112 4.5112 4.9798 4.9798 5.1086 5.1086 5.1680 5.1680 k = 0.3429 0.3429-0.0000 ( 10841 PWs) bands (ev): -50.7059 -50.7059 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2599 -13.2599 -10.0866 -10.0866 -10.0436 -10.0436 -5.1802 -5.1802 -3.7202 -3.7202 -2.9544 -2.9544 -1.7996 -1.7996 -0.9206 -0.9206 -0.6409 -0.6409 -0.5493 -0.5493 -0.4770 -0.4770 0.7141 0.7141 2.6564 2.6564 2.7660 2.7660 3.0503 3.0503 3.7816 3.7816 3.8202 3.8202 4.1915 4.1915 4.5104 4.5104 4.9695 4.9695 5.1252 5.1252 5.1855 5.1855 k = 0.3286 0.3286-0.0000 ( 10843 PWs) bands (ev): -50.7059 -50.7059 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2630 -13.2630 -10.0799 -10.0799 -10.0364 -10.0364 -5.1946 -5.1946 -3.7361 -3.7361 -2.9989 -2.9989 -1.8088 -1.8088 -0.8791 -0.8791 -0.6333 -0.6333 -0.5384 -0.5384 -0.4350 -0.4350 0.7118 0.7118 2.6452 2.6452 2.7615 2.7615 3.0483 3.0483 3.7721 3.7721 3.8293 3.8293 4.1735 4.1735 4.5095 4.5095 4.9596 4.9596 5.1429 5.1429 5.2044 5.2044 k = 0.3143 0.3143-0.0000 ( 10853 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2662 -13.2662 -10.0728 -10.0728 -10.0289 -10.0289 -5.2103 -5.2103 -3.7511 -3.7511 -3.0438 -3.0438 -1.8185 -1.8185 -0.8377 -0.8377 -0.6253 -0.6253 -0.5287 -0.5287 -0.3907 -0.3907 0.7094 0.7094 2.6371 2.6371 2.7586 2.7586 3.0463 3.0463 3.7569 3.7569 3.8408 3.8408 4.1535 4.1535 4.5086 4.5086 4.9503 4.9503 5.1619 5.1619 5.2245 5.2245 k = 0.3000 0.3000-0.0000 ( 10865 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2696 -13.2696 -10.0654 -10.0654 -10.0209 -10.0209 -5.2274 -5.2274 -3.7649 -3.7649 -3.0888 -3.0888 -1.8284 -1.8284 -0.7968 -0.7968 -0.6168 -0.6168 -0.5194 -0.5194 -0.3456 -0.3456 0.7068 0.7068 2.6323 2.6323 2.7578 2.7578 3.0443 3.0443 3.7398 3.7398 3.8506 3.8506 4.1316 4.1316 4.5077 4.5077 4.9417 4.9417 5.1819 5.1819 5.2457 5.2457 k = 0.2857 0.2857-0.0000 ( 10865 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2730 -13.2730 -10.0578 -10.0578 -10.0127 -10.0127 -5.2457 -5.2457 -3.7774 -3.7774 -3.1336 -3.1336 -1.8386 -1.8386 -0.7571 -0.7571 -0.6078 -0.6078 -0.5100 -0.5100 -0.3003 -0.3003 0.7042 0.7042 2.6312 2.6312 2.7592 2.7592 3.0423 3.0423 3.7218 3.7218 3.8577 3.8577 4.1079 4.1079 4.5068 4.5068 4.9341 4.9341 5.2029 5.2029 5.2680 5.2680 k = 0.2714 0.2714-0.0000 ( 10863 PWs) bands (ev): -50.7060 -50.7060 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2765 -13.2765 -10.0500 -10.0500 -10.0044 -10.0044 -5.2650 -5.2650 -3.7885 -3.7885 -3.1778 -3.1778 -1.8489 -1.8489 -0.7192 -0.7192 -0.5980 -0.5980 -0.5005 -0.5005 -0.2556 -0.2556 0.7014 0.7014 2.6341 2.6341 2.7632 2.7632 3.0403 3.0403 3.7034 3.7034 3.8615 3.8615 4.0823 4.0823 4.5059 4.5059 4.9274 4.9274 5.2248 5.2248 5.2912 5.2912 k = 0.2571 0.2571-0.0000 ( 10855 PWs) bands (ev): -50.7060 -50.7060 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2801 -13.2801 -10.0421 -10.0421 -9.9958 -9.9958 -5.2853 -5.2853 -3.7980 -3.7980 -3.2211 -3.2211 -1.8592 -1.8592 -0.6838 -0.6838 -0.5873 -0.5873 -0.4909 -0.4909 -0.2118 -0.2118 0.6986 0.6986 2.6409 2.6409 2.7698 2.7698 3.0384 3.0384 3.6848 3.6848 3.8618 3.8618 4.0551 4.0551 4.5050 4.5050 4.9216 4.9216 5.2475 5.2475 5.3151 5.3151 k = 0.2429 0.2429-0.0000 ( 10875 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2836 -13.2836 -10.0340 -10.0340 -9.9872 -9.9872 -5.3063 -5.3063 -3.8061 -3.8061 -3.2634 -3.2634 -1.8695 -1.8695 -0.6518 -0.6518 -0.5749 -0.5749 -0.4810 -0.4810 -0.1694 -0.1694 0.6957 0.6957 2.6519 2.6519 2.7795 2.7795 3.0365 3.0365 3.6663 3.6663 3.8585 3.8585 4.0262 4.0262 4.5041 4.5041 4.9169 4.9169 5.2709 5.2709 5.3396 5.3396 k = 0.2286 0.2286-0.0000 ( 10871 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2871 -13.2871 -10.0260 -10.0260 -9.9786 -9.9786 -5.3278 -5.3278 -3.8127 -3.8127 -3.3044 -3.3044 -1.8796 -1.8796 -0.6247 -0.6247 -0.5601 -0.5601 -0.4707 -0.4707 -0.1287 -0.1287 0.6928 0.6928 2.6671 2.6671 2.7922 2.7922 3.0347 3.0347 3.6479 3.6479 3.8514 3.8514 3.9958 3.9958 4.5033 4.5033 4.9131 4.9131 5.2948 5.2948 5.3646 5.3646 k = 0.2143 0.2143-0.0000 ( 10881 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2906 -13.2906 -10.0181 -10.0181 -9.9700 -9.9700 -5.3496 -5.3496 -3.8180 -3.8180 -3.3438 -3.3438 -1.8895 -1.8895 -0.6033 -0.6033 -0.5423 -0.5423 -0.4600 -0.4600 -0.0899 -0.0899 0.6899 0.6899 2.6863 2.6863 2.8080 2.8080 3.0330 3.0330 3.6300 3.6300 3.8406 3.8406 3.9641 3.9641 4.5025 4.5025 4.9103 4.9103 5.3191 5.3191 5.3897 5.3897 k = 0.2000 0.2000-0.0000 ( 10877 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2939 -13.2939 -10.0102 -10.0102 -9.9616 -9.9616 -5.3715 -5.3715 -3.8219 -3.8219 -3.3815 -3.3815 -1.8992 -1.8992 -0.5871 -0.5871 -0.5224 -0.5224 -0.4486 -0.4486 -0.0532 -0.0532 0.6870 0.6870 2.7096 2.7096 2.8271 2.8271 3.0314 3.0314 3.6124 3.6124 3.8260 3.8260 3.9311 3.9311 4.5017 4.5017 4.9083 4.9083 5.3435 5.3435 5.4150 5.4150 k = 0.1857 0.1857-0.0000 ( 10881 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2972 -13.2972 -10.0026 -10.0026 -9.9534 -9.9534 -5.3931 -5.3931 -3.8248 -3.8248 -3.4174 -3.4174 -1.9085 -1.9085 -0.5745 -0.5745 -0.5026 -0.5026 -0.4363 -0.4363 -0.0189 -0.0189 0.6841 0.6841 2.7366 2.7366 2.8493 2.8493 3.0299 3.0299 3.5955 3.5955 3.8076 3.8076 3.8971 3.8971 4.5009 4.5009 4.9071 4.9071 5.3679 5.3679 5.4401 5.4401 k = 0.1714 0.1714-0.0000 ( 10881 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3004 -13.3004 -9.9952 -9.9952 -9.9454 -9.9454 -5.4143 -5.4143 -3.8266 -3.8266 -3.4512 -3.4512 -1.9173 -1.9173 -0.5642 -0.5642 -0.4846 -0.4846 -0.4229 -0.4229 0.0129 0.0129 0.6813 0.6813 2.7673 2.7673 2.8747 2.8747 3.0285 3.0285 3.5792 3.5792 3.7857 3.7857 3.8623 3.8623 4.5002 4.5002 4.9065 4.9065 5.3921 5.3921 5.4649 5.4649 k = 0.1571 0.1571-0.0000 ( 10871 PWs) bands (ev): -50.7061 -50.7061 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3033 -13.3033 -9.9881 -9.9881 -9.9378 -9.9378 -5.4348 -5.4348 -3.8275 -3.8275 -3.4829 -3.4829 -1.9257 -1.9257 -0.5552 -0.5552 -0.4691 -0.4691 -0.4085 -0.4085 0.0422 0.0422 0.6786 0.6786 2.8012 2.8012 2.9030 2.9030 3.0273 3.0273 3.5637 3.5637 3.7604 3.7604 3.8267 3.8267 4.4996 4.4996 4.9065 4.9065 5.4157 5.4157 5.4891 5.4891 k = 0.1429 0.1429-0.0000 ( 10887 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3061 -13.3061 -9.9814 -9.9814 -9.9306 -9.9306 -5.4544 -5.4544 -3.8278 -3.8278 -3.5122 -3.5122 -1.9335 -1.9335 -0.5473 -0.5473 -0.4563 -0.4563 -0.3937 -0.3937 0.0689 0.0689 0.6760 0.6760 2.8381 2.8381 2.9342 2.9342 3.0262 3.0262 3.5489 3.5489 3.7317 3.7317 3.7904 3.7904 4.4990 4.4990 4.9069 4.9069 5.4385 5.4385 5.5125 5.5125 k = 0.1286 0.1286-0.0000 ( 10897 PWs) bands (ev): -50.7062 -50.7062 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3087 -13.3087 -9.9751 -9.9751 -9.9238 -9.9238 -5.4728 -5.4728 -3.8275 -3.8275 -3.5391 -3.5391 -1.9407 -1.9407 -0.5402 -0.5402 -0.4456 -0.4456 -0.3791 -0.3791 0.0929 0.0929 0.6735 0.6735 2.8776 2.8776 2.9678 2.9678 3.0254 3.0254 3.5348 3.5348 3.7002 3.7002 3.7537 3.7537 4.4984 4.4984 4.9076 4.9076 5.4602 5.4602 5.5349 5.5349 k = 0.1143 0.1143-0.0000 ( 10911 PWs) bands (ev): -50.7063 -50.7063 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3111 -13.3111 -9.9694 -9.9694 -9.9176 -9.9176 -5.4899 -5.4899 -3.8268 -3.8268 -3.5634 -3.5634 -1.9473 -1.9473 -0.5339 -0.5339 -0.4366 -0.4366 -0.3654 -0.3654 0.1143 0.1143 0.6712 0.6712 2.9194 2.9194 3.0027 3.0027 3.0258 3.0258 3.5214 3.5214 3.6661 3.6661 3.7165 3.7165 4.4979 4.4979 4.9085 4.9085 5.4805 5.4805 5.5561 5.5561 k = 0.1000 0.1000-0.0000 ( 10909 PWs) bands (ev): -50.7063 -50.7063 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3133 -13.3133 -9.9642 -9.9642 -9.9120 -9.9120 -5.5054 -5.5054 -3.8259 -3.8259 -3.5851 -3.5851 -1.9532 -1.9532 -0.5283 -0.5283 -0.4290 -0.4290 -0.3530 -0.3530 0.1330 0.1330 0.6692 0.6692 2.9629 2.9629 3.0208 3.0208 3.0453 3.0453 3.5083 3.5083 3.6299 3.6299 3.6790 3.6790 4.4975 4.4975 4.9095 4.9095 5.4992 5.4992 5.5757 5.5757 k = 0.0857 0.0857-0.0000 ( 10917 PWs) bands (ev): -50.7063 -50.7063 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3152 -13.3152 -9.9595 -9.9595 -9.9070 -9.9070 -5.5193 -5.5193 -3.8248 -3.8248 -3.6041 -3.6041 -1.9584 -1.9584 -0.5234 -0.5234 -0.4226 -0.4226 -0.3420 -0.3420 0.1492 0.1492 0.6673 0.6673 3.0075 3.0075 3.0216 3.0216 3.0843 3.0843 3.4951 3.4951 3.5922 3.5922 3.6418 3.6418 4.4971 4.4971 4.9106 4.9106 5.5159 5.5159 5.5934 5.5934 k = 0.0714 0.0714-0.0000 ( 10915 PWs) bands (ev): -50.7063 -50.7063 -50.6704 -50.6704 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.3168 -13.3168 -9.9555 -9.9555 -9.9027 -9.9027 -5.5312 -5.5312 -3.8236 -3.8236 -3.6203 -3.6203 -1.9628 -1.9628 -0.5192 -0.5192 -0.4172 -0.4172 -0.3327 -0.3327 0.1628 0.1628 0.6657 0.6657 3.0207 3.0207 3.0536 3.0536 3.1257 3.1257 3.4805 3.4805 3.5535 3.5535 3.6060 3.6060 4.4968 4.4968 4.9116 4.9116 5.5305 5.5305 5.6091 5.6091 k = 0.0571 0.0571-0.0000 ( 10921 PWs) bands (ev): -50.7063 -50.7063 -50.6705 -50.6705 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3181 -13.3181 -9.9522 -9.9522 -9.8991 -9.8991 -5.5412 -5.5412 -3.8226 -3.8226 -3.6336 -3.6336 -1.9665 -1.9665 -0.5157 -0.5157 -0.4129 -0.4129 -0.3251 -0.3251 0.1738 0.1738 0.6643 0.6643 3.0204 3.0204 3.0992 3.0992 3.1683 3.1683 3.4625 3.4625 3.5143 3.5143 3.5739 3.5739 4.4965 4.4965 4.9125 4.9125 5.5426 5.5426 5.6223 5.6223 k = 0.0429 0.0429-0.0000 ( 10923 PWs) bands (ev): -50.7062 -50.7062 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3192 -13.3192 -9.9496 -9.9496 -9.8963 -9.8963 -5.5490 -5.5490 -3.8217 -3.8217 -3.6441 -3.6441 -1.9694 -1.9694 -0.5131 -0.5131 -0.4095 -0.4095 -0.3191 -0.3191 0.1824 0.1824 0.6632 0.6632 3.0201 3.0201 3.1439 3.1439 3.2117 3.2117 3.4388 3.4388 3.4748 3.4748 3.5485 3.5485 4.4963 4.4963 4.9133 4.9133 5.5522 5.5522 5.6329 5.6329 k = 0.0286 0.0286-0.0000 ( 10913 PWs) bands (ev): -50.7062 -50.7062 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3199 -13.3199 -9.9477 -9.9477 -9.8942 -9.8942 -5.5547 -5.5547 -3.8210 -3.8210 -3.6515 -3.6515 -1.9714 -1.9714 -0.5111 -0.5111 -0.4070 -0.4070 -0.3149 -0.3149 0.1885 0.1885 0.6625 0.6625 3.0198 3.0198 3.1856 3.1856 3.2551 3.2551 3.4100 3.4100 3.4351 3.4351 3.5320 3.5320 4.4961 4.4961 4.9138 4.9138 5.5591 5.5591 5.6407 5.6407 k = 0.0143 0.0143-0.0000 ( 10925 PWs) bands (ev): -50.7062 -50.7062 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3204 -13.3204 -9.9466 -9.9466 -9.8930 -9.8930 -5.5581 -5.5581 -3.8206 -3.8206 -3.6560 -3.6560 -1.9727 -1.9727 -0.5100 -0.5100 -0.4056 -0.4056 -0.3124 -0.3124 0.1921 0.1921 0.6620 0.6620 3.0197 3.0197 3.2198 3.2198 3.2969 3.2969 3.3823 3.3823 3.3956 3.3956 3.5231 3.5231 4.4960 4.4960 4.9142 4.9142 5.5633 5.5633 5.6454 5.6454 k = 0.0000 0.0000 0.0000 ( 10917 PWs) bands (ev): -50.7061 -50.7061 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3206 -13.3206 -9.9462 -9.9462 -9.8926 -9.8926 -5.5593 -5.5593 -3.8204 -3.8204 -3.6575 -3.6575 -1.9731 -1.9731 -0.5096 -0.5096 -0.4051 -0.4051 -0.3116 -0.3116 0.1933 0.1933 0.6618 0.6618 3.0196 3.0196 3.2347 3.2347 3.3238 3.3238 3.3693 3.3693 3.3696 3.3696 3.5204 3.5204 4.4960 4.4960 4.9143 4.9143 5.5647 5.5647 5.6470 5.6470 k = 0.0000 0.0000 0.0000 ( 10917 PWs) bands (ev): -50.7061 -50.7061 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4381 -26.4381 -26.3328 -26.3328 -13.3206 -13.3206 -9.9462 -9.9462 -9.8926 -9.8926 -5.5593 -5.5593 -3.8204 -3.8204 -3.6575 -3.6575 -1.9731 -1.9731 -0.5096 -0.5096 -0.4051 -0.4051 -0.3116 -0.3116 0.1933 0.1933 0.6618 0.6618 3.0196 3.0196 3.2347 3.2347 3.3238 3.3238 3.3693 3.3693 3.3696 3.3696 3.5204 3.5204 4.4960 4.4960 4.9143 4.9143 5.5647 5.5647 5.6470 5.6470 k = 0.0000 0.0000 0.0198 ( 10917 PWs) bands (ev): -50.7061 -50.7061 -50.6707 -50.6707 -28.7228 -28.7228 -28.5551 -28.5551 -26.8767 -26.8767 -26.6165 -26.6165 -26.4381 -26.4381 -26.3328 -26.3328 -13.3204 -13.3204 -9.9462 -9.9462 -9.8926 -9.8926 -5.5593 -5.5593 -3.8204 -3.8204 -3.6573 -3.6573 -1.9738 -1.9738 -0.5098 -0.5098 -0.4054 -0.4054 -0.3113 -0.3113 0.1937 0.1937 0.6616 0.6616 3.0190 3.0190 3.2353 3.2353 3.3247 3.3247 3.3699 3.3699 3.3700 3.3700 3.5181 3.5181 4.4980 4.4980 4.9151 4.9151 5.5543 5.5543 5.6377 5.6377 k = 0.0000 0.0000 0.0396 ( 10917 PWs) bands (ev): -50.7061 -50.7061 -50.6707 -50.6707 -28.7224 -28.7224 -28.5554 -28.5554 -26.8764 -26.8764 -26.6170 -26.6170 -26.4380 -26.4380 -26.3329 -26.3329 -13.3200 -13.3200 -9.9461 -9.9461 -9.8925 -9.8925 -5.5592 -5.5592 -3.8203 -3.8203 -3.6565 -3.6565 -1.9757 -1.9757 -0.5105 -0.5105 -0.4064 -0.4064 -0.3107 -0.3107 0.1946 0.1946 0.6610 0.6610 3.0172 3.0172 3.2373 3.2373 3.3274 3.3274 3.3709 3.3709 3.3719 3.3719 3.5114 3.5114 4.5039 4.5039 4.9174 4.9174 5.5241 5.5241 5.6108 5.6108 k = 0.0000 0.0000 0.0594 ( 10909 PWs) bands (ev): -50.7060 -50.7060 -50.6707 -50.6707 -28.7218 -28.7218 -28.5558 -28.5558 -26.8758 -26.8758 -26.6179 -26.6179 -26.4379 -26.4379 -26.3331 -26.3331 -13.3194 -13.3194 -9.9460 -9.9460 -9.8924 -9.8924 -5.5591 -5.5591 -3.8203 -3.8203 -3.6551 -3.6551 -1.9789 -1.9789 -0.5117 -0.5117 -0.4080 -0.4080 -0.3096 -0.3096 0.1961 0.1961 0.6600 0.6600 3.0142 3.0142 3.2406 3.2406 3.3320 3.3320 3.3725 3.3725 3.3746 3.3746 3.5008 3.5008 4.5139 4.5139 4.9213 4.9213 5.4776 5.4776 5.5686 5.5686 k = 0.0000 0.0000 0.0792 ( 10909 PWs) bands (ev): -50.7058 -50.7058 -50.6709 -50.6709 -28.7210 -28.7210 -28.5564 -28.5564 -26.8751 -26.8751 -26.6191 -26.6191 -26.4377 -26.4377 -26.3333 -26.3333 -13.3184 -13.3184 -9.9459 -9.9459 -9.8923 -9.8923 -5.5590 -5.5590 -3.8202 -3.8202 -3.6533 -3.6533 -1.9833 -1.9833 -0.5133 -0.5133 -0.4101 -0.4101 -0.3081 -0.3081 0.1982 0.1982 0.6586 0.6586 3.0101 3.0101 3.2452 3.2452 3.3383 3.3383 3.3746 3.3746 3.3768 3.3768 3.4878 3.4878 4.5279 4.5279 4.9267 4.9267 5.4187 5.4187 5.5142 5.5142 k = 0.0000 0.0000 0.0990 ( 10901 PWs) bands (ev): -50.7057 -50.7057 -50.6710 -50.6710 -28.7199 -28.7199 -28.5571 -28.5571 -26.8741 -26.8741 -26.6206 -26.6206 -26.4374 -26.4374 -26.3336 -26.3336 -13.3173 -13.3173 -9.9457 -9.9457 -9.8922 -9.8922 -5.5589 -5.5589 -3.8200 -3.8200 -3.6510 -3.6510 -1.9888 -1.9888 -0.5153 -0.5153 -0.4127 -0.4127 -0.3064 -0.3064 0.2009 0.2009 0.6569 0.6569 3.0050 3.0050 3.2510 3.2510 3.3464 3.3464 3.3766 3.3766 3.3774 3.3774 3.4747 3.4747 4.5460 4.5460 4.9333 4.9333 5.3511 5.3511 5.4508 5.4508 k = 0.0000 0.0000 0.1188 ( 10881 PWs) bands (ev): -50.7053 -50.7053 -50.6712 -50.6712 -28.7187 -28.7187 -28.5580 -28.5580 -26.8729 -26.8729 -26.6224 -26.6224 -26.4371 -26.4371 -26.3339 -26.3339 -13.3159 -13.3159 -9.9455 -9.9455 -9.8920 -9.8920 -5.5587 -5.5587 -3.8199 -3.8199 -3.6482 -3.6482 -1.9954 -1.9954 -0.5177 -0.5177 -0.4157 -0.4157 -0.3044 -0.3044 0.2040 0.2040 0.6548 0.6548 2.9990 2.9990 3.2579 3.2579 3.3562 3.3562 3.3705 3.3705 3.3807 3.3807 3.4653 3.4653 4.5683 4.5683 4.9412 4.9412 5.2779 5.2779 5.3811 5.3811 k = 0.0000 0.0000 0.1386 ( 10893 PWs) bands (ev): -50.7052 -50.7052 -50.6715 -50.6715 -28.7172 -28.7172 -28.5591 -28.5591 -26.8716 -26.8716 -26.6245 -26.6245 -26.4367 -26.4367 -26.3343 -26.3343 -13.3144 -13.3144 -9.9452 -9.9452 -9.8918 -9.8918 -5.5586 -5.5586 -3.8197 -3.8197 -3.6450 -3.6450 -2.0028 -2.0028 -0.5204 -0.5204 -0.4190 -0.4190 -0.3022 -0.3022 0.2076 0.2076 0.6525 0.6525 2.9921 2.9921 3.2654 3.2654 3.3561 3.3561 3.3676 3.3676 3.3847 3.3847 3.4627 3.4627 4.5947 4.5947 4.9501 4.9501 5.2014 5.2014 5.3073 5.3073 k = 0.0000 0.0000 0.1584 ( 10881 PWs) bands (ev): -50.7049 -50.7049 -50.6717 -50.6717 -28.7156 -28.7156 -28.5603 -28.5603 -26.8701 -26.8701 -26.6268 -26.6268 -26.4363 -26.4363 -26.3347 -26.3347 -13.3126 -13.3126 -9.9449 -9.9449 -9.8915 -9.8915 -5.5584 -5.5584 -3.8195 -3.8195 -3.6415 -3.6415 -2.0110 -2.0110 -0.5234 -0.5234 -0.4225 -0.4225 -0.3000 -0.3000 0.2115 0.2115 0.6499 0.6499 2.9847 2.9847 3.2721 3.2721 3.3355 3.3355 3.3798 3.3798 3.3899 3.3899 3.4666 3.4666 4.6253 4.6253 4.9598 4.9598 5.1234 5.1234 5.2311 5.2311 k = 0.0000 0.0000 0.1782 ( 10861 PWs) bands (ev): -50.7045 -50.7045 -50.6720 -50.6720 -28.7138 -28.7138 -28.5616 -28.5616 -26.8684 -26.8684 -26.6293 -26.6293 -26.4359 -26.4359 -26.3351 -26.3351 -13.3108 -13.3108 -9.9446 -9.9446 -9.8913 -9.8913 -5.5582 -5.5582 -3.8193 -3.8193 -3.6377 -3.6377 -2.0199 -2.0199 -0.5266 -0.5266 -0.4262 -0.4262 -0.2977 -0.2977 0.2157 0.2157 0.6471 0.6471 2.9767 2.9767 3.2717 3.2717 3.3178 3.3178 3.3893 3.3893 3.3998 3.3998 3.4747 3.4747 4.6598 4.6598 4.9703 4.9703 5.0454 5.0454 5.1537 5.1537 k = 0.0000 0.0000 0.1980 ( 10841 PWs) bands (ev): -50.7042 -50.7042 -50.6721 -50.6721 -28.7118 -28.7118 -28.5630 -28.5630 -26.8666 -26.8666 -26.6321 -26.6321 -26.4354 -26.4354 -26.3356 -26.3356 -13.3088 -13.3088 -9.9443 -9.9443 -9.8910 -9.8910 -5.5580 -5.5580 -3.8190 -3.8190 -3.6336 -3.6336 -2.0292 -2.0292 -0.5299 -0.5299 -0.4300 -0.4300 -0.2953 -0.2953 0.2202 0.2202 0.6442 0.6442 2.9684 2.9684 3.2529 3.2529 3.3165 3.3165 3.3950 3.3950 3.4154 3.4154 3.4849 3.4849 4.6976 4.6976 4.9687 4.9687 4.9812 4.9812 5.0764 5.0764 k = 0.0000 0.0000 0.2178 ( 10848 PWs) bands (ev): -50.7038 -50.7038 -50.6725 -50.6725 -28.7098 -28.7098 -28.5645 -28.5645 -26.8647 -26.8647 -26.6349 -26.6349 -26.4349 -26.4349 -26.3361 -26.3361 -13.3068 -13.3068 -9.9440 -9.9440 -9.8908 -9.8908 -5.5577 -5.5577 -3.8188 -3.8188 -3.6294 -3.6294 -2.0388 -2.0388 -0.5333 -0.5333 -0.4338 -0.4338 -0.2930 -0.2930 0.2248 0.2248 0.6413 0.6413 2.9599 2.9599 3.2225 3.2225 3.3263 3.3263 3.3999 3.3999 3.4334 3.4334 3.4962 3.4962 4.7369 4.7369 4.8959 4.8959 4.9912 4.9912 5.0009 5.0009 k = 0.0000 0.0000 0.2376 ( 10840 PWs) bands (ev): -50.7035 -50.7035 -50.6728 -50.6728 -28.7077 -28.7077 -28.5661 -28.5661 -26.8627 -26.8627 -26.6379 -26.6379 -26.4344 -26.4344 -26.3366 -26.3366 -13.3047 -13.3047 -9.9437 -9.9437 -9.8905 -9.8905 -5.5575 -5.5575 -3.8186 -3.8186 -3.6250 -3.6250 -2.0486 -2.0486 -0.5368 -0.5368 -0.4376 -0.4376 -0.2908 -0.2908 0.2295 0.2295 0.6383 0.6383 2.9514 2.9514 3.1888 3.1888 3.3400 3.3400 3.4047 3.4047 3.4531 3.4531 3.5079 3.5079 4.7643 4.7643 4.8405 4.8405 4.9241 4.9241 5.0040 5.0040 k = 0.0000 0.0000 0.2574 ( 10848 PWs) bands (ev): -50.7032 -50.7032 -50.6732 -50.6732 -28.7055 -28.7055 -28.5678 -28.5678 -26.8606 -26.8606 -26.6410 -26.6410 -26.4339 -26.4339 -26.3371 -26.3371 -13.3026 -13.3026 -9.9433 -9.9433 -9.8902 -9.8902 -5.5573 -5.5573 -3.8183 -3.8183 -3.6206 -3.6206 -2.0584 -2.0584 -0.5402 -0.5402 -0.4413 -0.4413 -0.2887 -0.2887 0.2341 0.2341 0.6353 0.6353 2.9430 2.9430 3.1543 3.1543 3.3555 3.3555 3.4094 3.4094 3.4742 3.4742 3.5195 3.5195 4.7282 4.7282 4.8509 4.8509 4.8543 4.8543 5.0152 5.0152 k = 0.0000 0.0000 0.2772 ( 10872 PWs) bands (ev): -50.7030 -50.7030 -50.6735 -50.6735 -28.7033 -28.7033 -28.5694 -28.5694 -26.8586 -26.8586 -26.6440 -26.6440 -26.4334 -26.4334 -26.3376 -26.3376 -13.3006 -13.3006 -9.9430 -9.9430 -9.8899 -9.8899 -5.5570 -5.5570 -3.8181 -3.8181 -3.6163 -3.6163 -2.0680 -2.0680 -0.5435 -0.5435 -0.4448 -0.4448 -0.2866 -0.2866 0.2387 0.2387 0.6324 0.6324 2.9347 2.9347 3.1205 3.1205 3.3724 3.3724 3.4139 3.4139 3.4966 3.4966 3.5306 3.5306 4.6652 4.6652 4.7801 4.7801 4.9006 4.9006 5.0261 5.0261 k = 0.0000 0.0000 0.2970 ( 10880 PWs) bands (ev): -50.7027 -50.7027 -50.6739 -50.6739 -28.7011 -28.7011 -28.5711 -28.5711 -26.8565 -26.8565 -26.6470 -26.6470 -26.4329 -26.4329 -26.3381 -26.3381 -13.2986 -13.2986 -9.9427 -9.9427 -9.8897 -9.8897 -5.5568 -5.5568 -3.8179 -3.8179 -3.6121 -3.6121 -2.0772 -2.0772 -0.5467 -0.5467 -0.4482 -0.4482 -0.2848 -0.2848 0.2431 0.2431 0.6296 0.6296 2.9269 2.9269 3.0880 3.0880 3.3901 3.3901 3.4182 3.4182 3.5199 3.5199 3.5411 3.5411 4.6017 4.6017 4.7123 4.7123 4.9525 4.9525 5.0366 5.0366 k = 0.0000 0.0000 0.3168 ( 10876 PWs) bands (ev): -50.7024 -50.7024 -50.6742 -50.6742 -28.6990 -28.6990 -28.5727 -28.5727 -26.8545 -26.8545 -26.6499 -26.6499 -26.4325 -26.4325 -26.3386 -26.3386 -13.2968 -13.2968 -9.9424 -9.9424 -9.8894 -9.8894 -5.5566 -5.5566 -3.8176 -3.8176 -3.6081 -3.6081 -2.0860 -2.0860 -0.5498 -0.5498 -0.4513 -0.4513 -0.2830 -0.2830 0.2473 0.2473 0.6270 0.6270 2.9196 2.9196 3.0575 3.0575 3.4083 3.4083 3.4223 3.4223 3.5440 3.5440 3.5507 3.5507 4.5414 4.5414 4.6481 4.6481 5.0061 5.0061 5.0465 5.0465 k = 0.0000 0.0000 0.3366 ( 10876 PWs) bands (ev): -50.7020 -50.7020 -50.6745 -50.6745 -28.6970 -28.6970 -28.5743 -28.5743 -26.8526 -26.8526 -26.6526 -26.6526 -26.4320 -26.4320 -26.3391 -26.3391 -13.2950 -13.2950 -9.9421 -9.9421 -9.8892 -9.8892 -5.5564 -5.5564 -3.8174 -3.8174 -3.6043 -3.6043 -2.0941 -2.0941 -0.5525 -0.5525 -0.4542 -0.4542 -0.2815 -0.2815 0.2511 0.2511 0.6246 0.6246 2.9128 2.9128 3.0295 3.0295 3.4260 3.4260 3.4267 3.4267 3.5594 3.5594 3.5683 3.5683 4.4852 4.4852 4.5879 4.5879 5.0556 5.0556 5.0597 5.0597 k = 0.0000 0.0000 0.3564 ( 10868 PWs) bands (ev): -50.7017 -50.7017 -50.6748 -50.6748 -28.6952 -28.6952 -28.5758 -28.5758 -26.8508 -26.8508 -26.6551 -26.6551 -26.4316 -26.4316 -26.3395 -26.3395 -13.2935 -13.2935 -9.9419 -9.9419 -9.8890 -9.8890 -5.5563 -5.5563 -3.8173 -3.8173 -3.6009 -3.6009 -2.1014 -2.1014 -0.5550 -0.5550 -0.4567 -0.4567 -0.2801 -0.2801 0.2546 0.2546 0.6225 0.6225 2.9067 2.9067 3.0044 3.0044 3.4294 3.4294 3.4447 3.4447 3.5670 3.5670 3.5924 3.5924 4.4340 4.4340 4.5325 4.5325 5.0638 5.0638 5.1116 5.1116 k = 0.0000 0.0000 0.3762 ( 10868 PWs) bands (ev): -50.7014 -50.7014 -50.6751 -50.6751 -28.6935 -28.6935 -28.5771 -28.5771 -26.8492 -26.8492 -26.6574 -26.6574 -26.4313 -26.4313 -26.3399 -26.3399 -13.2921 -13.2921 -9.9417 -9.9417 -9.8888 -9.8888 -5.5561 -5.5561 -3.8171 -3.8171 -3.5979 -3.5979 -2.1078 -2.1078 -0.5572 -0.5572 -0.4589 -0.4589 -0.2789 -0.2789 0.2576 0.2576 0.6206 0.6206 2.9015 2.9015 2.9825 2.9825 3.4323 3.4323 3.4618 3.4618 3.5735 3.5735 3.6156 3.6156 4.3885 4.3885 4.4826 4.4826 5.0709 5.0709 5.1603 5.1603 k = 0.0000 0.0000 0.3960 ( 10856 PWs) bands (ev): -50.7012 -50.7012 -50.6752 -50.6752 -28.6920 -28.6920 -28.5782 -28.5782 -26.8478 -26.8478 -26.6593 -26.6593 -26.4310 -26.4310 -26.3402 -26.3402 -13.2910 -13.2910 -9.9415 -9.9415 -9.8887 -9.8887 -5.5560 -5.5560 -3.8170 -3.8170 -3.5954 -3.5954 -2.1132 -2.1132 -0.5590 -0.5590 -0.4608 -0.4608 -0.2779 -0.2779 0.2602 0.2602 0.6190 0.6190 2.8971 2.8971 2.9643 2.9643 3.4348 3.4348 3.4775 3.4775 3.5789 3.5789 3.6370 3.6370 4.3496 4.3496 4.4393 4.4393 5.0769 5.0769 5.2039 5.2039 k = 0.0000 0.0000 0.4158 ( 10868 PWs) bands (ev): -50.7010 -50.7010 -50.6755 -50.6755 -28.6909 -28.6909 -28.5791 -28.5791 -26.8467 -26.8467 -26.6609 -26.6609 -26.4307 -26.4307 -26.3404 -26.3404 -13.2900 -13.2900 -9.9413 -9.9413 -9.8885 -9.8885 -5.5559 -5.5559 -3.8169 -3.8169 -3.5933 -3.5933 -2.1175 -2.1175 -0.5605 -0.5605 -0.4623 -0.4623 -0.2771 -0.2771 0.2622 0.2622 0.6177 0.6177 2.8936 2.8936 2.9498 2.9498 3.4367 3.4367 3.4908 3.4908 3.5830 3.5830 3.6555 3.6555 4.3181 4.3181 4.4036 4.4036 5.0816 5.0816 5.2405 5.2405 k = 0.0000 0.0000 0.4356 ( 10876 PWs) bands (ev): -50.7009 -50.7009 -50.6757 -50.6757 -28.6900 -28.6900 -28.5798 -28.5798 -26.8459 -26.8459 -26.6620 -26.6620 -26.4306 -26.4306 -26.3406 -26.3406 -13.2894 -13.2894 -9.9412 -9.9412 -9.8884 -9.8884 -5.5558 -5.5558 -3.8168 -3.8168 -3.5918 -3.5918 -2.1206 -2.1206 -0.5615 -0.5615 -0.4633 -0.4633 -0.2766 -0.2766 0.2637 0.2637 0.6168 0.6168 2.8910 2.8910 2.9394 2.9394 3.4382 3.4382 3.5010 3.5010 3.5860 3.5860 3.6700 3.6700 4.2948 4.2948 4.3768 4.3768 5.0851 5.0851 5.2683 5.2683 k = 0.0000 0.0000 0.4554 ( 10896 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6895 -28.6895 -28.5803 -28.5803 -26.8454 -26.8454 -26.6627 -26.6627 -26.4305 -26.4305 -26.3407 -26.3407 -13.2890 -13.2890 -9.9412 -9.9412 -9.8884 -9.8884 -5.5558 -5.5558 -3.8167 -3.8167 -3.5909 -3.5909 -2.1225 -2.1225 -0.5622 -0.5622 -0.4640 -0.4640 -0.2763 -0.2763 0.2646 0.2646 0.6163 0.6163 2.8895 2.8895 2.9330 2.9330 3.4390 3.4390 3.5075 3.5075 3.5877 3.5877 3.6793 3.6793 4.2805 4.2805 4.3601 4.3601 5.0872 5.0872 5.2857 5.2857 k = 0.0000 0.0000 0.4752 ( 10900 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2888 -13.2888 -9.9411 -9.9411 -9.8884 -9.8884 -5.5557 -5.5557 -3.8167 -3.8167 -3.5906 -3.5906 -2.1231 -2.1231 -0.5624 -0.5624 -0.4642 -0.4642 -0.2762 -0.2762 0.2649 0.2649 0.6161 0.6161 2.8890 2.8890 2.9309 2.9309 3.4393 3.4393 3.5098 3.5098 3.5883 3.5883 3.6825 3.6825 4.2757 4.2757 4.3544 4.3544 5.0879 5.0879 5.2916 5.2916 k = 0.0000 0.0000 0.4752 ( 10900 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2888 -13.2888 -9.9411 -9.9411 -9.8884 -9.8884 -5.5557 -5.5557 -3.8167 -3.8167 -3.5906 -3.5906 -2.1231 -2.1231 -0.5624 -0.5624 -0.4642 -0.4642 -0.2762 -0.2762 0.2649 0.2649 0.6161 0.6161 2.8890 2.8890 2.9309 2.9309 3.4393 3.4393 3.5098 3.5098 3.5883 3.5883 3.6825 3.6825 4.2757 4.2757 4.3544 4.3544 5.0879 5.0879 5.2916 5.2916 k = 0.0000 0.0200 0.4752 ( 10898 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2887 -13.2887 -9.9415 -9.9415 -9.8888 -9.8888 -5.5546 -5.5546 -3.8169 -3.8169 -3.5891 -3.5891 -2.1227 -2.1227 -0.5627 -0.5627 -0.4646 -0.4646 -0.2770 -0.2770 0.2637 0.2637 0.6162 0.6162 2.8890 2.8890 2.9309 2.9309 3.4162 3.4162 3.5126 3.5126 3.5915 3.5915 3.6984 3.6984 4.2741 4.2741 4.3528 4.3528 5.0878 5.0878 5.2935 5.2935 k = 0.0000 0.0400 0.4752 ( 10902 PWs) bands (ev): -50.7009 -50.7009 -50.6759 -50.6759 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2882 -13.2882 -9.9427 -9.9427 -9.8899 -9.8899 -5.5513 -5.5513 -3.8173 -3.8173 -3.5846 -3.5846 -2.1214 -2.1214 -0.5638 -0.5638 -0.4657 -0.4657 -0.2795 -0.2795 0.2602 0.2602 0.6166 0.6166 2.8890 2.8890 2.9310 2.9310 3.3657 3.3657 3.5155 3.5155 3.5947 3.5947 3.7394 3.7394 4.2690 4.2690 4.3487 4.3487 5.0877 5.0877 5.2989 5.2989 k = 0.0000 0.0600 0.4752 ( 10898 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2875 -13.2875 -9.9447 -9.9447 -9.8917 -9.8917 -5.5458 -5.5458 -3.8181 -3.8181 -3.5770 -3.5770 -2.1193 -2.1193 -0.5657 -0.5657 -0.4676 -0.4676 -0.2839 -0.2839 0.2543 0.2543 0.6172 0.6172 2.8891 2.8891 2.9312 2.9312 3.3061 3.3061 3.5169 3.5169 3.5947 3.5947 3.7922 3.7922 4.2592 4.2592 4.3435 4.3435 5.0875 5.0875 5.3077 5.3077 k = 0.0000 0.0800 0.4752 ( 10878 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2864 -13.2864 -9.9479 -9.9479 -9.8938 -9.8938 -5.5383 -5.5383 -3.8193 -3.8193 -3.5662 -3.5662 -2.1165 -2.1165 -0.5684 -0.5684 -0.4701 -0.4701 -0.2903 -0.2903 0.2459 0.2459 0.6180 0.6180 2.8892 2.8892 2.9314 2.9314 3.2445 3.2445 3.5178 3.5178 3.5924 3.5924 3.8483 3.8483 4.2434 4.2434 4.3391 4.3391 5.0874 5.0874 5.3193 5.3193 k = 0.0000 0.1000 0.4752 ( 10860 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2851 -13.2851 -9.9522 -9.9522 -9.8960 -9.8960 -5.5290 -5.5290 -3.8209 -3.8209 -3.5521 -3.5521 -2.1128 -2.1128 -0.5720 -0.5720 -0.4730 -0.4730 -0.2989 -0.2989 0.2350 0.2350 0.6191 0.6191 2.8894 2.8894 2.9316 2.9316 3.1843 3.1843 3.5185 3.5185 3.5888 3.5888 3.9039 3.9039 4.2213 4.2213 4.3366 4.3366 5.0872 5.0872 5.3333 5.3333 k = 0.0000 0.1200 0.4752 ( 10850 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2836 -13.2836 -9.9578 -9.9578 -9.8981 -9.8981 -5.5181 -5.5181 -3.8230 -3.8230 -3.5346 -3.5346 -2.1084 -2.1084 -0.5765 -0.5765 -0.4761 -0.4761 -0.3100 -0.3100 0.2216 0.2216 0.6203 0.6203 2.8897 2.8897 2.9319 2.9319 3.1275 3.1275 3.5190 3.5190 3.5844 3.5844 3.9570 3.9570 4.1938 4.1938 4.3360 4.3360 5.0872 5.0872 5.3492 5.3492 k = 0.0000 0.1400 0.4752 ( 10854 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2818 -13.2818 -9.9649 -9.9649 -9.8999 -9.8999 -5.5058 -5.5058 -3.8255 -3.8255 -3.5135 -3.5135 -2.1034 -2.1034 -0.5821 -0.5821 -0.4794 -0.4794 -0.3240 -0.3240 0.2058 0.2058 0.6217 0.6217 2.8900 2.8900 2.9321 2.9321 3.0755 3.0755 3.5194 3.5194 3.5796 3.5796 4.0062 4.0062 4.1619 4.1619 4.3369 4.3369 5.0874 5.0874 5.3664 5.3664 k = 0.0000 0.1600 0.4752 ( 10866 PWs) bands (ev): -50.7008 -50.7008 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2798 -13.2798 -9.9733 -9.9733 -9.9013 -9.9013 -5.4924 -5.4924 -3.8285 -3.8285 -3.4889 -3.4889 -2.0978 -2.0978 -0.5888 -0.5888 -0.4827 -0.4827 -0.3413 -0.3413 0.1879 0.1879 0.6233 0.6233 2.8904 2.8904 2.9320 2.9320 3.0296 3.0296 3.5195 3.5195 3.5749 3.5749 4.0506 4.0506 4.1274 4.1274 4.3390 4.3390 5.0879 5.0879 5.3846 5.3846 k = 0.0000 0.1800 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2777 -13.2777 -9.9828 -9.9828 -9.9023 -9.9023 -5.4782 -5.4782 -3.8319 -3.8319 -3.4608 -3.4608 -2.0916 -2.0916 -0.5964 -0.5964 -0.4861 -0.4861 -0.3622 -0.3622 0.1681 0.1681 0.6251 0.6251 2.8909 2.8909 2.9313 2.9313 2.9912 2.9912 3.5192 3.5192 3.5705 3.5705 4.0795 4.0795 4.1012 4.1012 4.3418 4.3418 5.0889 5.0889 5.4032 5.4032 k = 0.0000 0.2000 0.4752 ( 10870 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2754 -13.2754 -9.9933 -9.9933 -9.9030 -9.9030 -5.4636 -5.4636 -3.8356 -3.8356 -3.4292 -3.4292 -2.0851 -2.0851 -0.6051 -0.6051 -0.4897 -0.4897 -0.3869 -0.3869 0.1470 0.1470 0.6271 0.6271 2.8915 2.8915 2.9283 2.9283 2.9622 2.9622 3.5185 3.5185 3.5671 3.5671 4.0481 4.0481 4.1286 4.1286 4.3453 4.3453 5.0906 5.0906 5.4221 5.4221 k = 0.0000 0.2200 0.4752 ( 10882 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2730 -13.2730 -10.0044 -10.0044 -9.9033 -9.9033 -5.4487 -5.4487 -3.8396 -3.8396 -3.3942 -3.3942 -2.0781 -2.0781 -0.6147 -0.6147 -0.4943 -0.4943 -0.4149 -0.4149 0.1253 0.1253 0.6291 0.6291 2.8921 2.8921 2.9188 2.9188 2.9474 2.9474 3.5170 3.5170 3.5648 3.5648 4.0093 4.0093 4.1572 4.1572 4.3491 4.3491 5.0931 5.0931 5.4408 5.4408 k = 0.0000 0.2400 0.4752 ( 10884 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2706 -13.2706 -10.0160 -10.0160 -9.9034 -9.9034 -5.4339 -5.4339 -3.8437 -3.8437 -3.3562 -3.3562 -2.0710 -2.0710 -0.6252 -0.6252 -0.5022 -0.5022 -0.4440 -0.4440 0.1034 0.1034 0.6313 0.6313 2.8924 2.8924 2.9062 2.9062 2.9435 2.9435 3.5148 3.5148 3.5642 3.5642 3.9701 3.9701 4.1803 4.1803 4.3532 4.3532 5.0964 5.0964 5.4593 5.4593 k = 0.0000 0.2600 0.4752 ( 10896 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2681 -13.2681 -10.0277 -10.0277 -9.9033 -9.9033 -5.4194 -5.4194 -3.8478 -3.8478 -3.3153 -3.3153 -2.0637 -2.0637 -0.6366 -0.6366 -0.5202 -0.5202 -0.4672 -0.4672 0.0822 0.0822 0.6336 0.6336 2.8906 2.8906 2.8994 2.8994 2.9431 2.9431 3.5120 3.5120 3.5651 3.5651 3.9315 3.9315 4.1974 4.1974 4.3575 4.3575 5.1008 5.1008 5.4772 5.4772 k = 0.0000 0.2800 0.4752 ( 10896 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2656 -13.2656 -10.0395 -10.0395 -9.9031 -9.9031 -5.4055 -5.4055 -3.8519 -3.8519 -3.2721 -3.2721 -2.0564 -2.0564 -0.6494 -0.6494 -0.5533 -0.5533 -0.4784 -0.4784 0.0621 0.0621 0.6359 0.6359 2.8878 2.8878 2.8993 2.8993 2.9437 2.9437 3.5088 3.5088 3.5677 3.5677 3.8940 3.8940 4.2086 4.2086 4.3618 4.3618 5.1061 5.1061 5.4944 5.4944 k = 0.0000 0.3000 0.4752 ( 10890 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2632 -13.2632 -10.0509 -10.0509 -9.9028 -9.9028 -5.3923 -5.3923 -3.8560 -3.8560 -3.2270 -3.2270 -2.0492 -2.0492 -0.6652 -0.6652 -0.5936 -0.5936 -0.4832 -0.4832 0.0436 0.0436 0.6383 0.6383 2.8879 2.8879 2.9016 2.9016 2.9449 2.9449 3.5055 3.5055 3.5719 3.5719 3.8580 3.8580 4.2140 4.2140 4.3660 4.3660 5.1124 5.1124 5.5108 5.5108 k = 0.0000 0.3200 0.4752 ( 10886 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2608 -13.2608 -10.0620 -10.0620 -9.9025 -9.9025 -5.3800 -5.3800 -3.8598 -3.8598 -3.1807 -3.1807 -2.0422 -2.0422 -0.6895 -0.6895 -0.6303 -0.6303 -0.4857 -0.4857 0.0269 0.0269 0.6406 0.6406 2.8905 2.8905 2.9058 2.9058 2.9466 2.9466 3.5024 3.5024 3.5775 3.5775 3.8241 3.8241 4.2138 4.2138 4.3701 4.3701 5.1194 5.1194 5.5261 5.5261 k = 0.0000 0.3400 0.4752 ( 10870 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2586 -13.2586 -10.0723 -10.0723 -9.9021 -9.9021 -5.3688 -5.3688 -3.8634 -3.8634 -3.1341 -3.1341 -2.0356 -2.0356 -0.7286 -0.7286 -0.6544 -0.6544 -0.4872 -0.4872 0.0121 0.0121 0.6428 0.6428 2.8935 2.8935 2.9127 2.9127 2.9488 2.9488 3.4995 3.4995 3.5845 3.5845 3.7925 3.7925 4.2086 4.2086 4.3740 4.3740 5.1269 5.1269 5.5402 5.5402 k = 0.0000 0.3600 0.4752 ( 10866 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2566 -13.2566 -10.0819 -10.0819 -9.9017 -9.9017 -5.3587 -5.3587 -3.8666 -3.8666 -3.0882 -3.0882 -2.0295 -2.0295 -0.7768 -0.7768 -0.6692 -0.6692 -0.4881 -0.4881 -0.0008 -0.0008 0.6449 0.6449 2.8961 2.8961 2.9217 2.9217 2.9520 2.9520 3.4970 3.4970 3.5929 3.5929 3.7638 3.7638 4.1992 4.1992 4.3776 4.3776 5.1346 5.1346 5.5531 5.5531 k = 0.0000 0.3800 0.4752 ( 10874 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2547 -13.2547 -10.0905 -10.0905 -9.9013 -9.9013 -5.3499 -5.3499 -3.8696 -3.8696 -3.0440 -3.0440 -2.0240 -2.0240 -0.8269 -0.8269 -0.6799 -0.6799 -0.4887 -0.4887 -0.0117 -0.0117 0.6468 0.6468 2.8980 2.8980 2.9308 2.9308 2.9570 2.9570 3.4950 3.4950 3.6024 3.6024 3.7381 3.7381 4.1865 4.1865 4.3808 4.3808 5.1422 5.1422 5.5645 5.5645 k = 0.0000 0.4000 0.4752 ( 10874 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2531 -13.2531 -10.0980 -10.0980 -9.9010 -9.9010 -5.3424 -5.3424 -3.8721 -3.8721 -3.0030 -3.0030 -2.0191 -2.0191 -0.8748 -0.8748 -0.6885 -0.6885 -0.4891 -0.4891 -0.0209 -0.0209 0.6485 0.6485 2.8995 2.8995 2.9377 2.9377 2.9646 2.9646 3.4933 3.4933 3.6127 3.6127 3.7157 3.7157 4.1716 4.1716 4.3837 4.3837 5.1494 5.1494 5.5744 5.5744 k = 0.0000 0.4200 0.4752 ( 10870 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2517 -13.2517 -10.1043 -10.1043 -9.9007 -9.9007 -5.3362 -5.3362 -3.8742 -3.8742 -2.9664 -2.9664 -2.0151 -2.0151 -0.9179 -0.9179 -0.6954 -0.6954 -0.4894 -0.4894 -0.0282 -0.0282 0.6499 0.6499 2.9007 2.9007 2.9420 2.9420 2.9739 2.9739 3.4921 3.4921 3.6233 3.6233 3.6971 3.6971 4.1560 4.1560 4.3861 4.3861 5.1557 5.1557 5.5826 5.5826 k = 0.0000 0.4400 0.4752 ( 10866 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2506 -13.2506 -10.1093 -10.1093 -9.9005 -9.9005 -5.3314 -5.3314 -3.8758 -3.8758 -2.9360 -2.9360 -2.0119 -2.0119 -0.9541 -0.9541 -0.7007 -0.7007 -0.4896 -0.4896 -0.0339 -0.0339 0.6511 0.6511 2.9017 2.9017 2.9446 2.9446 2.9831 2.9831 3.4912 3.4912 3.6332 3.6332 3.6823 3.6823 4.1412 4.1412 4.3880 4.3880 5.1610 5.1610 5.5891 5.5891 k = 0.0000 0.4600 0.4752 ( 10868 PWs) bands (ev): -50.7008 -50.7008 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2498 -13.2498 -10.1129 -10.1129 -9.9003 -9.9003 -5.3279 -5.3279 -3.8770 -3.8770 -2.9130 -2.9130 -2.0096 -2.0096 -0.9815 -0.9815 -0.7046 -0.7046 -0.4897 -0.4897 -0.0379 -0.0379 0.6519 0.6519 2.9023 2.9023 2.9462 2.9462 2.9905 2.9905 3.4905 3.4905 3.6416 3.6416 3.6716 3.6716 4.1290 4.1290 4.3893 4.3893 5.1649 5.1649 5.5938 5.5938 k = 0.0000 0.4800 0.4752 ( 10842 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2494 -13.2494 -10.1151 -10.1151 -9.9002 -9.9002 -5.3258 -5.3258 -3.8778 -3.8778 -2.8986 -2.8986 -2.0082 -2.0082 -0.9985 -0.9985 -0.7069 -0.7069 -0.4897 -0.4897 -0.0403 -0.0403 0.6524 0.6524 2.9027 2.9027 2.9471 2.9471 2.9952 2.9952 3.4902 3.4902 3.6472 3.6472 3.6651 3.6651 4.1209 4.1209 4.3902 4.3902 5.1674 5.1674 5.5967 5.5967 k = 0.0000 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2492 -13.2492 -10.1159 -10.1159 -9.9002 -9.9002 -5.3252 -5.3252 -3.8780 -3.8780 -2.8937 -2.8937 -2.0078 -2.0078 -1.0043 -1.0043 -0.7077 -0.7077 -0.4897 -0.4897 -0.0411 -0.0411 0.6526 0.6526 2.9029 2.9029 2.9474 2.9474 2.9969 2.9969 3.4901 3.4901 3.6492 3.6492 3.6629 3.6629 4.1181 4.1181 4.3905 4.3905 5.1682 5.1682 5.5976 5.5976 k = 0.0000 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2492 -13.2492 -10.1159 -10.1159 -9.9002 -9.9002 -5.3252 -5.3252 -3.8780 -3.8780 -2.8937 -2.8937 -2.0078 -2.0078 -1.0043 -1.0043 -0.7077 -0.7077 -0.4897 -0.4897 -0.0411 -0.0411 0.6526 0.6526 2.9029 2.9029 2.9474 2.9474 2.9969 2.9969 3.4901 3.4901 3.6492 3.6492 3.6629 3.6629 4.1181 4.1181 4.3905 4.3905 5.1682 5.1682 5.5976 5.5976 k = 0.0200 0.5000 0.4752 ( 10848 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2491 -13.2491 -10.1158 -10.1158 -9.9010 -9.9010 -5.3239 -5.3239 -3.8773 -3.8773 -2.8932 -2.8932 -2.0073 -2.0073 -1.0044 -1.0044 -0.7077 -0.7077 -0.4904 -0.4904 -0.0423 -0.0423 0.6527 0.6527 2.9028 2.9028 2.9472 2.9472 2.9943 2.9943 3.4684 3.4684 3.6619 3.6619 3.6724 3.6724 4.1191 4.1191 4.3874 4.3874 5.1682 5.1682 5.5990 5.5990 k = 0.0400 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2486 -13.2486 -10.1157 -10.1157 -9.9034 -9.9034 -5.3204 -5.3204 -3.8752 -3.8752 -2.8918 -2.8918 -2.0060 -2.0060 -1.0047 -1.0047 -0.7076 -0.7076 -0.4923 -0.4923 -0.0459 -0.0459 0.6530 0.6530 2.9026 2.9026 2.9465 2.9465 2.9869 2.9869 3.4229 3.4229 3.6638 3.6638 3.7176 3.7176 4.1222 4.1222 4.3784 4.3784 5.1683 5.1683 5.6030 5.6030 k = 0.0600 0.5000 0.4752 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2478 -13.2478 -10.1155 -10.1155 -9.9074 -9.9074 -5.3145 -5.3145 -3.8717 -3.8717 -2.8893 -2.8893 -2.0039 -2.0039 -1.0051 -1.0051 -0.7075 -0.7075 -0.4955 -0.4955 -0.0522 -0.0522 0.6535 0.6535 2.9021 2.9021 2.9446 2.9446 2.9752 2.9752 3.3727 3.3727 3.6658 3.6658 3.7682 3.7682 4.1281 4.1281 4.3637 4.3637 5.1685 5.1685 5.6096 5.6096 k = 0.0800 0.5000 0.4752 ( 10868 PWs) bands (ev): -50.7008 -50.7008 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2468 -13.2468 -10.1152 -10.1152 -9.9129 -9.9129 -5.3065 -5.3065 -3.8666 -3.8666 -2.8858 -2.8858 -2.0009 -2.0009 -1.0058 -1.0058 -0.7075 -0.7075 -0.4999 -0.4999 -0.0614 -0.0614 0.6542 0.6542 2.9009 2.9009 2.9388 2.9388 2.9627 2.9627 3.3247 3.3247 3.6686 3.6686 3.8160 3.8160 4.1375 4.1375 4.3439 4.3439 5.1687 5.1687 5.6183 5.6183 k = 0.1000 0.5000 0.4752 ( 10864 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2455 -13.2455 -10.1149 -10.1149 -9.9198 -9.9198 -5.2966 -5.2966 -3.8600 -3.8600 -2.8812 -2.8812 -1.9971 -1.9971 -1.0067 -1.0067 -0.7074 -0.7074 -0.5054 -0.5054 -0.0737 -0.0737 0.6550 0.6550 2.8967 2.8967 2.9256 2.9256 2.9557 2.9557 3.2816 3.2816 3.6720 3.6720 3.8572 3.8572 4.1516 4.1516 4.3193 4.3193 5.1691 5.1691 5.6290 5.6290 k = 0.1200 0.5000 0.4752 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2439 -13.2439 -10.1145 -10.1145 -9.9279 -9.9279 -5.2851 -5.2851 -3.8518 -3.8518 -2.8754 -2.8754 -1.9925 -1.9925 -1.0078 -1.0078 -0.7073 -0.7073 -0.5120 -0.5120 -0.0897 -0.0897 0.6559 0.6559 2.8826 2.8826 2.9143 2.9143 2.9533 2.9533 3.2444 3.2444 3.6761 3.6761 3.8895 3.8895 4.1711 4.1711 4.2909 4.2909 5.1697 5.1697 5.6413 5.6413 k = 0.1400 0.5000 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2421 -13.2421 -10.1140 -10.1140 -9.9372 -9.9372 -5.2722 -5.2722 -3.8419 -3.8419 -2.8683 -2.8683 -1.9873 -1.9873 -1.0092 -1.0092 -0.7072 -0.7072 -0.5195 -0.5195 -0.1097 -0.1097 0.6569 0.6569 2.8577 2.8577 2.9107 2.9107 2.9523 2.9523 3.2128 3.2128 3.6807 3.6807 3.9122 3.9122 4.1955 4.1955 4.2596 4.2596 5.1705 5.1705 5.6549 5.6549 k = 0.1600 0.5000 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2401 -13.2401 -10.1135 -10.1135 -9.9474 -9.9474 -5.2584 -5.2584 -3.8303 -3.8303 -2.8598 -2.8598 -1.9815 -1.9815 -1.0111 -1.0111 -0.7072 -0.7072 -0.5278 -0.5278 -0.1340 -0.1340 0.6579 0.6579 2.8302 2.8302 2.9099 2.9099 2.9518 2.9518 3.1859 3.1859 3.6858 3.6858 3.9258 3.9258 4.2164 4.2164 4.2329 4.2329 5.1715 5.1715 5.6694 5.6694 k = 0.1800 0.5000 0.4752 ( 10860 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2379 -13.2379 -10.1130 -10.1130 -9.9584 -9.9584 -5.2439 -5.2439 -3.8170 -3.8170 -2.8498 -2.8498 -1.9751 -1.9751 -1.0133 -1.0133 -0.7073 -0.7073 -0.5367 -0.5367 -0.1629 -0.1629 0.6589 0.6589 2.8045 2.8045 2.9101 2.9101 2.9515 2.9515 3.1629 3.1629 3.6913 3.6913 3.9319 3.9319 4.1867 4.1867 4.2570 4.2570 5.1729 5.1729 5.6845 5.6845 k = 0.2000 0.5000 0.4752 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2356 -13.2356 -10.1125 -10.1125 -9.9699 -9.9699 -5.2291 -5.2291 -3.8021 -3.8021 -2.8381 -2.8381 -1.9682 -1.9682 -1.0161 -1.0161 -0.7075 -0.7075 -0.5461 -0.5461 -0.1964 -0.1964 0.6599 0.6599 2.7828 2.7828 2.9107 2.9107 2.9514 2.9514 3.1428 3.1428 3.6972 3.6972 3.9321 3.9321 4.1496 4.1496 4.2871 4.2871 5.1747 5.1747 5.6999 5.6999 k = 0.2200 0.5000 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2332 -13.2332 -10.1120 -10.1120 -9.9818 -9.9818 -5.2144 -5.2144 -3.7857 -3.7857 -2.8247 -2.8247 -1.9610 -1.9610 -1.0195 -1.0195 -0.7078 -0.7078 -0.5559 -0.5559 -0.2345 -0.2345 0.6610 0.6610 2.7668 2.7668 2.9117 2.9117 2.9514 2.9514 3.1249 3.1249 3.7032 3.7032 3.9276 3.9276 4.1116 4.1116 4.3158 4.3158 5.1770 5.1770 5.7155 5.7155 k = 0.2400 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2307 -13.2307 -10.1116 -10.1116 -9.9939 -9.9939 -5.2000 -5.2000 -3.7679 -3.7679 -2.8094 -2.8094 -1.9535 -1.9535 -1.0237 -1.0237 -0.7084 -0.7084 -0.5658 -0.5658 -0.2769 -0.2769 0.6621 0.6621 2.7574 2.7574 2.9130 2.9130 2.9515 2.9515 3.1089 3.1089 3.7092 3.7092 3.9192 3.9192 4.0735 4.0735 4.3421 4.3421 5.1799 5.1799 5.7309 5.7309 k = 0.2600 0.5000 0.4752 ( 10840 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2282 -13.2282 -10.1112 -10.1112 -10.0059 -10.0059 -5.1862 -5.1862 -3.7491 -3.7491 -2.7921 -2.7921 -1.9459 -1.9459 -1.0288 -1.0288 -0.7091 -0.7091 -0.5757 -0.5757 -0.3229 -0.3229 0.6632 0.6632 2.7548 2.7548 2.9146 2.9146 2.9516 2.9516 3.0944 3.0944 3.7153 3.7153 3.9075 3.9075 4.0360 4.0360 4.3651 4.3651 5.1833 5.1833 5.7460 5.7460 k = 0.2800 0.5000 0.4752 ( 10848 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2257 -13.2257 -10.1109 -10.1109 -10.0176 -10.0176 -5.1733 -5.1733 -3.7295 -3.7295 -2.7728 -2.7728 -1.9383 -1.9383 -1.0351 -1.0351 -0.7101 -0.7101 -0.5854 -0.5854 -0.3715 -0.3715 0.6643 0.6643 2.7591 2.7591 2.9163 2.9163 2.9518 2.9518 3.0812 3.0812 3.7212 3.7212 3.8927 3.8927 3.9996 3.9996 4.3847 4.3847 5.1872 5.1872 5.7606 5.7606 k = 0.3000 0.5000 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2232 -13.2232 -10.1108 -10.1108 -10.0288 -10.0288 -5.1613 -5.1613 -3.7096 -3.7096 -2.7516 -2.7516 -1.9308 -1.9308 -1.0428 -1.0428 -0.7114 -0.7114 -0.5947 -0.5947 -0.4216 -0.4216 0.6655 0.6655 2.7700 2.7700 2.9183 2.9183 2.9521 2.9521 3.0694 3.0694 3.7268 3.7268 3.8753 3.8753 3.9648 3.9648 4.4007 4.4007 5.1916 5.1916 5.7746 5.7746 k = 0.3200 0.5000 0.4752 ( 10860 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2208 -13.2208 -10.1110 -10.1110 -10.0393 -10.0393 -5.1505 -5.1505 -3.6899 -3.6899 -2.7287 -2.7287 -1.9235 -1.9235 -1.0522 -1.0522 -0.7130 -0.7130 -0.6037 -0.6037 -0.4718 -0.4718 0.6667 0.6667 2.7865 2.7865 2.9203 2.9203 2.9524 2.9524 3.0590 3.0590 3.7319 3.7319 3.8555 3.8555 3.9321 3.9321 4.4134 4.4134 5.1963 5.1963 5.7877 5.7877 k = 0.3400 0.5000 0.4752 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2186 -13.2186 -10.1114 -10.1114 -10.0489 -10.0489 -5.1408 -5.1408 -3.6708 -3.6708 -2.7043 -2.7043 -1.9166 -1.9166 -1.0636 -1.0636 -0.7150 -0.7150 -0.6124 -0.6124 -0.5201 -0.5201 0.6679 0.6679 2.8077 2.8077 2.9225 2.9225 2.9528 2.9528 3.0501 3.0501 3.7365 3.7365 3.8336 3.8336 3.9019 3.9019 4.4231 4.4231 5.2014 5.2014 5.7999 5.7999 k = 0.3600 0.5000 0.4752 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2165 -13.2165 -10.1121 -10.1121 -10.0574 -10.0574 -5.1324 -5.1324 -3.6527 -3.6527 -2.6789 -2.6789 -1.9102 -1.9102 -1.0769 -1.0769 -0.7172 -0.7172 -0.6215 -0.6215 -0.5640 -0.5640 0.6691 0.6691 2.8322 2.8322 2.9247 2.9247 2.9535 2.9535 3.0428 3.0428 3.7401 3.7401 3.8101 3.8101 3.8747 3.8747 4.4301 4.4301 5.2064 5.2064 5.8111 5.8111 k = 0.3800 0.5000 0.4752 ( 10840 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2146 -13.2146 -10.1131 -10.1131 -10.0645 -10.0645 -5.1252 -5.1252 -3.6362 -3.6362 -2.6533 -2.6533 -1.9044 -1.9044 -1.0922 -1.0922 -0.7196 -0.7196 -0.6345 -0.6345 -0.5985 -0.5985 0.6701 0.6701 2.8581 2.8581 2.9268 2.9268 2.9543 2.9543 3.0375 3.0375 3.7426 3.7426 3.7857 3.7857 3.8510 3.8510 4.4349 4.4349 5.2113 5.2113 5.8210 5.8210 k = 0.4000 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2130 -13.2130 -10.1146 -10.1146 -10.0702 -10.0702 -5.1192 -5.1192 -3.6216 -3.6216 -2.6284 -2.6284 -1.8993 -1.8993 -1.1090 -1.1090 -0.7220 -0.7220 -0.6575 -0.6575 -0.6165 -0.6165 0.6711 0.6711 2.8833 2.8833 2.9287 2.9287 2.9557 2.9557 3.0346 3.0346 3.7431 3.7431 3.7619 3.7619 3.8314 3.8314 4.4380 4.4380 5.2159 5.2159 5.8295 5.8295 k = 0.4200 0.5000 0.4752 ( 10832 PWs) bands (ev): -50.7007 -50.7007 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2116 -13.2116 -10.1162 -10.1162 -10.0746 -10.0746 -5.1144 -5.1144 -3.6092 -3.6092 -2.6054 -2.6054 -1.8951 -1.8951 -1.1261 -1.1261 -0.7244 -0.7244 -0.6831 -0.6831 -0.6241 -0.6241 0.6720 0.6720 2.9049 2.9049 2.9304 2.9304 2.9578 2.9578 3.0347 3.0347 3.7340 3.7340 3.7471 3.7471 3.8162 3.8162 4.4398 4.4398 5.2200 5.2200 5.8367 5.8367 k = 0.4400 0.5000 0.4752 ( 10832 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2105 -13.2105 -10.1178 -10.1178 -10.0777 -10.0777 -5.1107 -5.1107 -3.5993 -3.5993 -2.5856 -2.5856 -1.8918 -1.8918 -1.1422 -1.1422 -0.7265 -0.7265 -0.7042 -0.7042 -0.6284 -0.6284 0.6727 0.6727 2.9207 2.9207 2.9318 2.9318 2.9608 2.9608 3.0379 3.0379 3.7145 3.7145 3.7437 3.7437 3.8057 3.8057 4.4408 4.4408 5.2233 5.2233 5.8424 5.8424 k = 0.4600 0.5000 0.4752 ( 10836 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2097 -13.2097 -10.1192 -10.1192 -10.0797 -10.0797 -5.1081 -5.1081 -3.5921 -3.5921 -2.5703 -2.5703 -1.8894 -1.8894 -1.1554 -1.1554 -0.7286 -0.7286 -0.7191 -0.7191 -0.6310 -0.6310 0.6732 0.6732 2.9299 2.9299 2.9329 2.9329 2.9641 2.9641 3.0434 3.0434 3.6978 3.6978 3.7409 3.7409 3.7994 3.7994 4.4412 4.4412 5.2258 5.2258 5.8465 5.8465 k = 0.4800 0.5000 0.4752 ( 10836 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2092 -13.2092 -10.1202 -10.1202 -10.0808 -10.0808 -5.1065 -5.1065 -3.5878 -3.5878 -2.5605 -2.5605 -1.8879 -1.8879 -1.1641 -1.1641 -0.7314 -0.7314 -0.7264 -0.7264 -0.6325 -0.6325 0.6735 0.6735 2.9333 2.9333 2.9343 2.9343 2.9665 2.9665 3.0485 3.0485 3.6868 3.6868 3.7386 3.7386 3.7961 3.7961 4.4414 4.4414 5.2273 5.2273 5.8489 5.8489 k = 0.5000 0.5000 0.4752 ( 10816 PWs) bands (ev): -50.7006 -50.7006 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2090 -13.2090 -10.1205 -10.1205 -10.0812 -10.0812 -5.1060 -5.1060 -3.5863 -3.5863 -2.5572 -2.5572 -1.8875 -1.8875 -1.1672 -1.1672 -0.7334 -0.7334 -0.7277 -0.7277 -0.6329 -0.6329 0.6736 0.6736 2.9336 2.9336 2.9355 2.9355 2.9674 2.9674 3.0506 3.0506 3.6830 3.6830 3.7378 3.7378 3.7952 3.7952 4.4414 4.4414 5.2278 5.2278 5.8498 5.8498 k = 0.5000 0.5000 0.4752 ( 10816 PWs) bands (ev): -50.7006 -50.7006 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2090 -13.2090 -10.1205 -10.1205 -10.0812 -10.0812 -5.1060 -5.1060 -3.5863 -3.5863 -2.5572 -2.5572 -1.8875 -1.8875 -1.1672 -1.1672 -0.7334 -0.7334 -0.7277 -0.7277 -0.6329 -0.6329 0.6736 0.6736 2.9336 2.9336 2.9355 2.9355 2.9674 2.9674 3.0506 3.0506 3.6830 3.6830 3.7378 3.7378 3.7952 3.7952 4.4414 4.4414 5.2278 5.2278 5.8498 5.8498 k = 0.4857 0.4857 0.4752 ( 10836 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2092 -13.2092 -10.1202 -10.1202 -10.0808 -10.0808 -5.1065 -5.1065 -3.5878 -3.5878 -2.5606 -2.5606 -1.8880 -1.8880 -1.1640 -1.1640 -0.7314 -0.7314 -0.7263 -0.7263 -0.6324 -0.6324 0.6735 0.6735 2.9334 2.9334 2.9343 2.9343 2.9665 2.9665 3.0484 3.0484 3.6869 3.6869 3.7387 3.7387 3.7961 3.7961 4.4414 4.4414 5.2273 5.2273 5.8489 5.8489 k = 0.4714 0.4714 0.4752 ( 10828 PWs) bands (ev): -50.7006 -50.7006 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2097 -13.2097 -10.1191 -10.1191 -10.0797 -10.0797 -5.1081 -5.1081 -3.5922 -3.5922 -2.5708 -2.5708 -1.8894 -1.8894 -1.1547 -1.1547 -0.7284 -0.7284 -0.7192 -0.7192 -0.6310 -0.6310 0.6732 0.6732 2.9303 2.9303 2.9327 2.9327 2.9644 2.9644 3.0422 3.0422 3.6984 3.6984 3.7414 3.7414 3.7990 3.7990 4.4413 4.4413 5.2257 5.2257 5.8464 5.8464 k = 0.4571 0.4571 0.4752 ( 10828 PWs) bands (ev): -50.7006 -50.7006 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2105 -13.2105 -10.1174 -10.1174 -10.0779 -10.0779 -5.1108 -5.1108 -3.5994 -3.5994 -2.5873 -2.5873 -1.8919 -1.8919 -1.1395 -1.1395 -0.7261 -0.7261 -0.7050 -0.7050 -0.6285 -0.6285 0.6726 0.6726 2.9229 2.9229 2.9316 2.9316 2.9616 2.9616 3.0331 3.0331 3.7163 3.7163 3.7458 3.7458 3.8039 3.8039 4.4409 4.4409 5.2231 5.2231 5.8422 5.8422 k = 0.4429 0.4429 0.4752 ( 10832 PWs) bands (ev): -50.7007 -50.7007 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2117 -13.2117 -10.1151 -10.1151 -10.0754 -10.0754 -5.1145 -5.1145 -3.6091 -3.6091 -2.6097 -2.6097 -1.8953 -1.8953 -1.1189 -1.1189 -0.7233 -0.7233 -0.6854 -0.6854 -0.6246 -0.6246 0.6719 0.6719 2.9115 2.9115 2.9301 2.9301 2.9589 2.9589 3.0222 3.0222 3.7395 3.7395 3.7519 3.7519 3.8109 3.8109 4.4402 4.4402 5.2195 5.2195 5.8363 5.8363 k = 0.4286 0.4286 0.4752 ( 10846 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2131 -13.2131 -10.1120 -10.1120 -10.0721 -10.0721 -5.1195 -5.1195 -3.6211 -3.6211 -2.6374 -2.6374 -1.8996 -1.8996 -1.0935 -1.0935 -0.7200 -0.7200 -0.6623 -0.6623 -0.6183 -0.6183 0.6709 0.6709 2.8963 2.8963 2.9282 2.9282 2.9567 2.9567 3.0108 3.0108 3.7595 3.7595 3.7661 3.7661 3.8202 3.8202 4.4389 4.4389 5.2149 5.2149 5.8288 5.8288 k = 0.4143 0.4143 0.4752 ( 10854 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2149 -13.2149 -10.1084 -10.1084 -10.0682 -10.0682 -5.1256 -5.1256 -3.6348 -3.6348 -2.6695 -2.6695 -1.9049 -1.9049 -1.0639 -1.0639 -0.7159 -0.7159 -0.6400 -0.6400 -0.6058 -0.6058 0.6698 0.6698 2.8783 2.8783 2.9261 2.9261 2.9549 2.9549 2.9994 2.9994 3.7686 3.7686 3.7943 3.7943 3.8326 3.8326 4.4367 4.4367 5.2095 5.2095 5.8198 5.8198 k = 0.4000 0.4000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2169 -13.2169 -10.1042 -10.1042 -10.0637 -10.0637 -5.1330 -5.1330 -3.6500 -3.6500 -2.7055 -2.7055 -1.9111 -1.9111 -1.0308 -1.0308 -0.7113 -0.7113 -0.6255 -0.6255 -0.5806 -0.5806 0.6684 0.6684 2.8586 2.8586 2.9237 2.9237 2.9532 2.9532 2.9887 2.9887 3.7791 3.7791 3.8208 3.8208 3.8499 3.8499 4.4335 4.4335 5.2032 5.2032 5.8091 5.8091 k = 0.3857 0.3857 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2192 -13.2192 -10.0993 -10.0993 -10.0585 -10.0585 -5.1418 -5.1418 -3.6661 -3.6661 -2.7446 -2.7446 -1.9181 -1.9181 -0.9948 -0.9948 -0.7059 -0.7059 -0.6165 -0.6165 -0.5457 -0.5457 0.6669 0.6669 2.8384 2.8384 2.9212 2.9212 2.9514 2.9514 2.9790 2.9790 3.7908 3.7908 3.8428 3.8428 3.8739 3.8739 4.4289 4.4289 5.1963 5.1963 5.7970 5.7970 k = 0.3714 0.3714 0.4752 ( 10854 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2218 -13.2218 -10.0940 -10.0940 -10.0528 -10.0528 -5.1519 -5.1519 -3.6827 -3.6827 -2.7862 -2.7862 -1.9259 -1.9259 -0.9568 -0.9568 -0.7000 -0.7000 -0.6090 -0.6090 -0.5059 -0.5059 0.6652 0.6652 2.8189 2.8189 2.9186 2.9186 2.9494 2.9494 2.9707 2.9707 3.8037 3.8037 3.8617 3.8617 3.9023 3.9023 4.4228 4.4228 5.1887 5.1887 5.7835 5.7835 k = 0.3571 0.3571 0.4752 ( 10862 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2245 -13.2245 -10.0881 -10.0881 -10.0465 -10.0465 -5.1634 -5.1634 -3.6995 -3.6995 -2.8296 -2.8296 -1.9344 -1.9344 -0.9173 -0.9173 -0.6934 -0.6934 -0.6016 -0.6016 -0.4631 -0.4631 0.6634 0.6634 2.8010 2.8010 2.9159 2.9159 2.9469 2.9469 2.9641 2.9641 3.8178 3.8178 3.8802 3.8802 3.9314 3.9314 4.4148 4.4148 5.1807 5.1807 5.7686 5.7686 k = 0.3429 0.3429 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2275 -13.2275 -10.0818 -10.0818 -10.0397 -10.0397 -5.1764 -5.1764 -3.7160 -3.7160 -2.8744 -2.8744 -1.9434 -1.9434 -0.8771 -0.8771 -0.6862 -0.6862 -0.5939 -0.5939 -0.4183 -0.4183 0.6614 0.6614 2.7853 2.7853 2.9133 2.9133 2.9439 2.9439 2.9596 2.9596 3.8329 3.8329 3.8994 3.8994 3.9594 3.9594 4.4048 4.4048 5.1723 5.1723 5.7524 5.7524 k = 0.3286 0.3286 0.4752 ( 10876 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2306 -13.2306 -10.0751 -10.0751 -10.0325 -10.0325 -5.1907 -5.1907 -3.7319 -3.7319 -2.9200 -2.9200 -1.9530 -1.9530 -0.8369 -0.8369 -0.6782 -0.6782 -0.5858 -0.5858 -0.3722 -0.3722 0.6592 0.6592 2.7725 2.7725 2.9108 2.9108 2.9410 2.9410 2.9567 2.9567 3.8492 3.8492 3.9195 3.9195 3.9853 3.9853 4.3927 4.3927 5.1637 5.1637 5.7350 5.7350 k = 0.3143 0.3143 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2339 -13.2339 -10.0680 -10.0680 -10.0249 -10.0249 -5.2065 -5.2065 -3.7468 -3.7468 -2.9660 -2.9660 -1.9630 -1.9630 -0.7975 -0.7975 -0.6692 -0.6692 -0.5772 -0.5772 -0.3255 -0.3255 0.6570 0.6570 2.7630 2.7630 2.9084 2.9084 2.9389 2.9389 2.9552 2.9552 3.8665 3.8665 3.9405 3.9405 4.0085 4.0085 4.3784 4.3784 5.1551 5.1551 5.7165 5.7165 k = 0.3000 0.3000 0.4752 ( 10868 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2373 -13.2373 -10.0606 -10.0606 -10.0169 -10.0169 -5.2236 -5.2236 -3.7607 -3.7607 -3.0120 -3.0120 -1.9733 -1.9733 -0.7600 -0.7600 -0.6588 -0.6588 -0.5680 -0.5680 -0.2786 -0.2786 0.6546 0.6546 2.7573 2.7573 2.9061 2.9061 2.9382 2.9382 2.9547 2.9547 3.8849 3.8849 3.9623 3.9623 4.0286 4.0286 4.3617 4.3617 5.1465 5.1465 5.6969 5.6969 k = 0.2857 0.2857 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2408 -13.2408 -10.0530 -10.0530 -10.0087 -10.0087 -5.2419 -5.2419 -3.7732 -3.7732 -3.0577 -3.0577 -1.9838 -1.9838 -0.7260 -0.7260 -0.6462 -0.6462 -0.5579 -0.5579 -0.2320 -0.2320 0.6522 0.6522 2.7556 2.7556 2.9039 2.9039 2.9387 2.9387 2.9557 2.9557 3.9043 3.9043 3.9845 3.9845 4.0452 4.0452 4.3429 4.3429 5.1381 5.1381 5.6763 5.6763 k = 0.2714 0.2714 0.4752 ( 10876 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2443 -13.2443 -10.0452 -10.0452 -10.0003 -10.0003 -5.2612 -5.2612 -3.7843 -3.7843 -3.1029 -3.1029 -1.9945 -1.9945 -0.6974 -0.6974 -0.6301 -0.6301 -0.5468 -0.5468 -0.1862 -0.1862 0.6497 0.6497 2.7581 2.7581 2.9019 2.9019 2.9398 2.9398 2.9591 2.9591 3.9246 3.9246 4.0067 4.0067 4.0584 4.0584 4.3218 4.3218 5.1302 5.1302 5.6549 5.6549 k = 0.2571 0.2571 0.4752 ( 10870 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2479 -13.2479 -10.0372 -10.0372 -9.9918 -9.9918 -5.2815 -5.2815 -3.7939 -3.7939 -3.1471 -3.1471 -2.0052 -2.0052 -0.6757 -0.6757 -0.6103 -0.6103 -0.5338 -0.5338 -0.1416 -0.1416 0.6471 0.6471 2.7651 2.7651 2.9000 2.9000 2.9407 2.9407 2.9660 2.9660 3.9458 3.9458 4.0280 4.0280 4.0687 4.0687 4.2986 4.2986 5.1228 5.1228 5.6326 5.6326 k = 0.2429 0.2429 0.4752 ( 10874 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2515 -13.2515 -10.0292 -10.0292 -9.9831 -9.9831 -5.3025 -5.3025 -3.8020 -3.8020 -3.1902 -3.1902 -2.0158 -2.0158 -0.6598 -0.6598 -0.5889 -0.5889 -0.5182 -0.5182 -0.0985 -0.0985 0.6446 0.6446 2.7766 2.7766 2.8983 2.8983 2.9409 2.9409 2.9768 2.9768 3.9677 3.9677 4.0455 4.0455 4.0787 4.0787 4.2734 4.2734 5.1159 5.1159 5.6097 5.6097 k = 0.2286 0.2286 0.4752 ( 10870 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2550 -13.2550 -10.0211 -10.0211 -9.9745 -9.9745 -5.3241 -5.3241 -3.8086 -3.8086 -3.2319 -3.2319 -2.0263 -2.0263 -0.6474 -0.6474 -0.5694 -0.5694 -0.4993 -0.4993 -0.0572 -0.0572 0.6420 0.6420 2.7926 2.7926 2.8968 2.8968 2.9407 2.9407 2.9914 2.9914 3.9901 3.9901 4.0537 4.0537 4.0935 4.0935 4.2465 4.2465 5.1098 5.1098 5.5862 5.5862 k = 0.2143 0.2143 0.4752 ( 10882 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4305 -26.4305 -26.3408 -26.3408 -13.2585 -13.2585 -10.0132 -10.0132 -9.9659 -9.9659 -5.3459 -5.3459 -3.8139 -3.8139 -3.2720 -3.2720 -2.0366 -2.0366 -0.6369 -0.6369 -0.5532 -0.5532 -0.4774 -0.4774 -0.0180 -0.0180 0.6394 0.6394 2.8130 2.8130 2.8955 2.8955 2.9404 2.9404 3.0098 3.0098 4.0120 4.0120 4.0529 4.0529 4.1135 4.1135 4.2179 4.2179 5.1045 5.1045 5.5622 5.5622 k = 0.2000 0.2000 0.4752 ( 10878 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2619 -13.2619 -10.0053 -10.0053 -9.9575 -9.9575 -5.3677 -5.3677 -3.8179 -3.8179 -3.3104 -3.3104 -2.0466 -2.0466 -0.6276 -0.6276 -0.5400 -0.5400 -0.4538 -0.4538 0.0189 0.0189 0.6369 0.6369 2.8376 2.8376 2.8943 2.8943 2.9402 2.9402 3.0317 3.0317 4.0274 4.0274 4.0520 4.0520 4.1349 4.1349 4.1885 4.1885 5.1000 5.1000 5.5378 5.5379 k = 0.1857 0.1857 0.4752 ( 10864 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2652 -13.2652 -9.9976 -9.9976 -9.9492 -9.9492 -5.3894 -5.3894 -3.8208 -3.8208 -3.3469 -3.3469 -2.0562 -2.0562 -0.6191 -0.6191 -0.5289 -0.5289 -0.4301 -0.4301 0.0534 0.0534 0.6345 0.6345 2.8660 2.8660 2.8934 2.8934 2.9404 2.9404 3.0572 3.0572 4.0206 4.0206 4.0679 4.0679 4.1474 4.1474 4.1671 4.1671 5.0962 5.0962 5.5133 5.5133 k = 0.1714 0.1714 0.4752 ( 10864 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2684 -13.2684 -9.9902 -9.9902 -9.9413 -9.9413 -5.4106 -5.4106 -3.8226 -3.8226 -3.3812 -3.3812 -2.0653 -2.0653 -0.6112 -0.6112 -0.5192 -0.5192 -0.4073 -0.4073 0.0853 0.0853 0.6321 0.6321 2.8915 2.8915 2.8979 2.8979 2.9421 2.9421 3.0860 3.0860 4.0021 4.0021 4.0902 4.0902 4.1210 4.1210 4.1836 4.1836 5.0933 5.0933 5.4887 5.4887 k = 0.1571 0.1571 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2714 -13.2714 -9.9831 -9.9831 -9.9336 -9.9336 -5.4311 -5.4311 -3.8236 -3.8236 -3.4134 -3.4134 -2.0740 -2.0740 -0.6038 -0.6038 -0.5106 -0.5106 -0.3859 -0.3859 0.1147 0.1147 0.6298 0.6298 2.8915 2.8915 2.9230 2.9230 2.9526 2.9526 3.1180 3.1180 3.9780 3.9780 4.0857 4.0857 4.1157 4.1157 4.2050 4.2050 5.0910 5.0910 5.4643 5.4643 k = 0.1429 0.1429 0.4752 ( 10864 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3407 -26.3407 -13.2742 -13.2742 -9.9764 -9.9764 -9.9264 -9.9264 -5.4507 -5.4507 -3.8239 -3.8239 -3.4432 -3.4432 -2.0821 -2.0821 -0.5970 -0.5970 -0.5028 -0.5028 -0.3663 -0.3663 0.1413 0.1413 0.6276 0.6276 2.8910 2.8910 2.9308 2.9308 2.9844 2.9844 3.1529 3.1529 3.9493 3.9493 4.0510 4.0510 4.1387 4.1387 4.2262 4.2262 5.0893 5.0893 5.4402 5.4402 k = 0.1286 0.1286 0.4752 ( 10852 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2769 -13.2769 -9.9701 -9.9701 -9.9196 -9.9196 -5.4692 -5.4692 -3.8237 -3.8237 -3.4705 -3.4705 -2.0895 -2.0895 -0.5907 -0.5907 -0.4957 -0.4957 -0.3486 -0.3486 0.1653 0.1653 0.6256 0.6256 2.8905 2.8905 2.9322 2.9322 3.0259 3.0259 3.1905 3.1905 3.9168 3.9168 4.0144 4.0144 4.1615 4.1615 4.2467 4.2467 5.0882 5.0882 5.4168 5.4168 k = 0.1143 0.1143 0.4752 ( 10862 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2793 -13.2793 -9.9644 -9.9644 -9.9134 -9.9134 -5.4863 -5.4863 -3.8230 -3.8230 -3.4952 -3.4952 -2.0964 -2.0964 -0.5849 -0.5849 -0.4893 -0.4893 -0.3330 -0.3330 0.1866 0.1866 0.6237 0.6237 2.8901 2.8901 2.9323 2.9323 3.0712 3.0712 3.2303 3.2303 3.8810 3.8810 3.9763 3.9763 4.1833 4.1833 4.2661 4.2661 5.0875 5.0875 5.3943 5.3943 k = 0.1000 0.1000 0.4752 ( 10868 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2815 -13.2815 -9.9591 -9.9591 -9.9078 -9.9078 -5.5018 -5.5018 -3.8221 -3.8221 -3.5172 -3.5172 -2.1025 -2.1025 -0.5798 -0.5798 -0.4836 -0.4836 -0.3193 -0.3193 0.2052 0.2052 0.6220 0.6220 2.8898 2.8898 2.9322 2.9322 3.1191 3.1191 3.2721 3.2721 3.8423 3.8423 3.9370 3.9370 4.2035 4.2035 4.2843 4.2843 5.0872 5.0872 5.3730 5.3730 k = 0.0857 0.0857 0.4752 ( 10868 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2834 -13.2834 -9.9545 -9.9545 -9.9028 -9.9028 -5.5157 -5.5157 -3.8210 -3.8210 -3.5365 -3.5365 -2.1079 -2.1079 -0.5753 -0.5753 -0.4786 -0.4786 -0.3076 -0.3076 0.2212 0.2212 0.6205 0.6205 2.8896 2.8896 2.9319 2.9319 3.1690 3.1690 3.3153 3.3153 3.8011 3.8011 3.8964 3.8964 4.2218 4.2218 4.3011 4.3011 5.0871 5.0871 5.3534 5.3534 k = 0.0714 0.0714 0.4752 ( 10872 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2850 -13.2850 -9.9505 -9.9505 -9.8985 -9.8985 -5.5276 -5.5276 -3.8199 -3.8199 -3.5529 -3.5529 -2.1125 -2.1125 -0.5714 -0.5714 -0.4743 -0.4743 -0.2978 -0.2978 0.2347 0.2347 0.6192 0.6192 2.8894 2.8894 2.9317 2.9317 3.2201 3.2201 3.3594 3.3594 3.7580 3.7580 3.8549 3.8549 4.2378 4.2378 4.3161 4.3161 5.0872 5.0872 5.3358 5.3358 k = 0.0571 0.0571 0.4752 ( 10882 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2864 -13.2864 -9.9472 -9.9472 -9.8949 -9.8949 -5.5376 -5.5376 -3.8189 -3.8189 -3.5664 -3.5664 -2.1163 -2.1163 -0.5682 -0.5682 -0.4707 -0.4707 -0.2899 -0.2899 0.2456 0.2456 0.6181 0.6181 2.8892 2.8892 2.9314 2.9314 3.2718 3.2718 3.4035 3.4035 3.7135 3.7135 3.8129 3.8129 4.2512 4.2512 4.3292 4.3292 5.0874 5.0874 5.3206 5.3206 k = 0.0429 0.0429 0.4752 ( 10890 PWs) bands (ev): -50.7008 -50.7008 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2874 -13.2874 -9.9446 -9.9446 -9.8921 -9.8921 -5.5455 -5.5455 -3.8180 -3.8180 -3.5770 -3.5770 -2.1192 -2.1192 -0.5657 -0.5657 -0.4678 -0.4678 -0.2839 -0.2839 0.2541 0.2541 0.6172 0.6172 2.8891 2.8891 2.9312 2.9312 3.3234 3.3234 3.4462 3.4462 3.6687 3.6687 3.7711 3.7711 4.2618 4.2618 4.3399 4.3399 5.0875 5.0875 5.3082 5.3082 k = 0.0286 0.0286 0.4752 ( 10902 PWs) bands (ev): -50.7009 -50.7009 -50.6759 -50.6759 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2882 -13.2882 -9.9427 -9.9427 -9.8900 -9.8900 -5.5512 -5.5512 -3.8173 -3.8173 -3.5845 -3.5845 -2.1214 -2.1214 -0.5638 -0.5638 -0.4658 -0.4658 -0.2796 -0.2796 0.2601 0.2601 0.6166 0.6166 2.8890 2.8890 2.9310 2.9310 3.3732 3.3732 3.4843 3.4843 3.6265 3.6265 3.7311 3.7311 4.2695 4.2695 4.3478 4.3478 5.0877 5.0877 5.2991 5.2991 k = 0.0143 0.0143 0.4752 ( 10902 PWs) bands (ev): -50.7009 -50.7009 -50.6759 -50.6759 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2887 -13.2887 -9.9415 -9.9415 -9.8888 -9.8888 -5.5546 -5.5546 -3.8169 -3.8169 -3.5891 -3.5891 -2.1227 -2.1227 -0.5627 -0.5627 -0.4646 -0.4646 -0.2770 -0.2770 0.2637 0.2637 0.6162 0.6162 2.8890 2.8890 2.9309 2.9309 3.4172 3.4172 3.5080 3.5080 3.5959 3.5959 3.6976 3.6976 4.2741 4.2741 4.3528 4.3528 5.0878 5.0878 5.2935 5.2935 k = 0.0000 0.0000 0.4752 ( 10900 PWs) bands (ev): -50.7009 -50.7009 -50.6758 -50.6758 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4304 -26.4304 -26.3407 -26.3407 -13.2888 -13.2888 -9.9411 -9.9411 -9.8884 -9.8884 -5.5557 -5.5557 -3.8167 -3.8167 -3.5906 -3.5906 -2.1231 -2.1231 -0.5624 -0.5624 -0.4642 -0.4642 -0.2762 -0.2762 0.2649 0.2649 0.6161 0.6161 2.8890 2.8890 2.9309 2.9309 3.4393 3.4393 3.5098 3.5098 3.5883 3.5883 3.6825 3.6825 4.2757 4.2757 4.3544 4.3544 5.0879 5.0879 5.2916 5.2916 k = 0.0000 0.5000-0.0000 ( 10884 PWs) bands (ev): -50.7060 -50.7060 -50.6706 -50.6706 -28.7229 -28.7229 -28.5550 -28.5550 -26.8768 -26.8768 -26.6163 -26.6163 -26.4382 -26.4382 -26.3328 -26.3328 -13.2814 -13.2814 -10.1202 -10.1202 -9.9047 -9.9047 -5.3300 -5.3300 -3.8891 -3.8891 -2.9635 -2.9635 -1.8624 -1.8624 -1.0523 -1.0523 -0.6600 -0.6600 -0.4323 -0.4323 -0.0941 -0.0941 0.7020 0.7020 2.7441 2.7441 3.0423 3.0423 3.3735 3.3735 3.4066 3.4066 3.7115 3.7115 3.9810 3.9810 4.5066 4.5066 4.9609 4.9609 4.9998 4.9998 5.6805 5.6805 k = 0.0000 0.5000 0.0198 ( 10894 PWs) bands (ev): -50.7060 -50.7060 -50.6706 -50.6706 -28.7228 -28.7228 -28.5551 -28.5551 -26.8767 -26.8767 -26.6165 -26.6165 -26.4382 -26.4382 -26.3329 -26.3329 -13.2812 -13.2812 -10.1202 -10.1202 -9.9047 -9.9047 -5.3299 -5.3299 -3.8890 -3.8890 -2.9632 -2.9632 -1.8630 -1.8630 -1.0521 -1.0521 -0.6602 -0.6602 -0.4326 -0.4326 -0.0939 -0.0939 0.7017 0.7017 2.7449 2.7449 3.0416 3.0416 3.3738 3.3738 3.4070 3.4070 3.7082 3.7082 3.9785 3.9785 4.5132 4.5132 4.9479 4.9479 4.9989 4.9989 5.6654 5.6654 k = 0.0000 0.5000 0.0396 ( 10900 PWs) bands (ev): -50.7060 -50.7060 -50.6706 -50.6706 -28.7224 -28.7224 -28.5554 -28.5554 -26.8764 -26.8764 -26.6170 -26.6170 -26.4381 -26.4381 -26.3330 -26.3330 -13.2808 -13.2808 -10.1201 -10.1201 -9.9047 -9.9047 -5.3299 -5.3299 -3.8889 -3.8889 -2.9624 -2.9624 -1.8649 -1.8649 -1.0515 -1.0515 -0.6608 -0.6608 -0.4334 -0.4334 -0.0932 -0.0932 0.7011 0.7011 2.7474 2.7474 3.0398 3.0398 3.3747 3.3747 3.4080 3.4080 3.6981 3.6981 3.9721 3.9721 4.5324 4.5324 4.9093 4.9093 4.9997 4.9997 5.6339 5.6339 k = 0.0000 0.5000 0.0594 ( 10888 PWs) bands (ev): -50.7058 -50.7058 -50.6708 -50.6708 -28.7218 -28.7218 -28.5558 -28.5558 -26.8758 -26.8758 -26.6179 -26.6179 -26.4379 -26.4379 -26.3331 -26.3331 -13.2802 -13.2802 -10.1200 -10.1200 -9.9046 -9.9046 -5.3298 -5.3298 -3.8886 -3.8886 -2.9610 -2.9610 -1.8679 -1.8679 -1.0506 -1.0506 -0.6618 -0.6618 -0.4347 -0.4347 -0.0920 -0.0920 0.7000 0.7000 2.7514 2.7514 3.0369 3.0369 3.3760 3.3760 3.4097 3.4097 3.6808 3.6808 3.9645 3.9645 4.5619 4.5619 4.8516 4.8516 5.0035 5.0035 5.5873 5.5873 k = 0.0000 0.5000 0.0792 ( 10880 PWs) bands (ev): -50.7057 -50.7057 -50.6708 -50.6708 -28.7210 -28.7210 -28.5564 -28.5564 -26.8750 -26.8750 -26.6191 -26.6191 -26.4377 -26.4377 -26.3333 -26.3333 -13.2792 -13.2792 -10.1199 -10.1199 -9.9044 -9.9044 -5.3296 -5.3296 -3.8883 -3.8883 -2.9592 -2.9592 -1.8721 -1.8721 -1.0493 -1.0493 -0.6631 -0.6631 -0.4364 -0.4364 -0.0904 -0.0904 0.6985 0.6985 2.7570 2.7570 3.0328 3.0328 3.3776 3.3776 3.4121 3.4121 3.6561 3.6561 3.9584 3.9584 4.5992 4.5992 4.7829 4.7829 5.0096 5.0096 5.5285 5.5285 k = 0.0000 0.5000 0.0990 ( 10868 PWs) bands (ev): -50.7055 -50.7055 -50.6710 -50.6710 -28.7199 -28.7199 -28.5571 -28.5571 -26.8741 -26.8741 -26.6206 -26.6206 -26.4375 -26.4375 -26.3336 -26.3336 -13.2781 -13.2781 -10.1197 -10.1197 -9.9043 -9.9043 -5.3295 -5.3295 -3.8879 -3.8879 -2.9568 -2.9568 -1.8773 -1.8773 -1.0477 -1.0477 -0.6648 -0.6648 -0.4386 -0.4386 -0.0884 -0.0884 0.6967 0.6967 2.7641 2.7641 3.0278 3.0278 3.3790 3.3790 3.4153 3.4153 3.6249 3.6249 3.9556 3.9556 4.6402 4.6402 4.7104 4.7104 5.0177 5.0177 5.4609 5.4609 k = 0.0000 0.5000 0.1188 ( 10890 PWs) bands (ev): -50.7054 -50.7054 -50.6712 -50.6712 -28.7187 -28.7187 -28.5581 -28.5581 -26.8729 -26.8729 -26.6224 -26.6224 -26.4372 -26.4372 -26.3339 -26.3339 -13.2767 -13.2767 -10.1196 -10.1196 -9.9041 -9.9041 -5.3293 -5.3293 -3.8874 -3.8874 -2.9540 -2.9540 -1.8835 -1.8835 -1.0457 -1.0457 -0.6668 -0.6668 -0.4412 -0.4412 -0.0860 -0.0860 0.6945 0.6945 2.7726 2.7726 3.0219 3.0219 3.3795 3.3795 3.4191 3.4191 3.5890 3.5890 3.9566 3.9566 4.6240 4.6240 4.6968 4.6968 5.0275 5.0275 5.3874 5.3874 k = 0.0000 0.5000 0.1386 ( 10896 PWs) bands (ev): -50.7052 -50.7052 -50.6715 -50.6715 -28.7172 -28.7172 -28.5591 -28.5591 -26.8716 -26.8716 -26.6245 -26.6245 -26.4368 -26.4368 -26.3343 -26.3343 -13.2751 -13.2751 -10.1193 -10.1193 -9.9038 -9.9038 -5.3290 -5.3290 -3.8869 -3.8869 -2.9508 -2.9508 -1.8906 -1.8906 -1.0435 -1.0435 -0.6691 -0.6691 -0.4441 -0.4441 -0.0833 -0.0833 0.6920 0.6920 2.7826 2.7826 3.0152 3.0152 3.3777 3.3777 3.4237 3.4237 3.5513 3.5513 3.9611 3.9611 4.5482 4.5482 4.7451 4.7451 5.0390 5.0390 5.3104 5.3104 k = 0.0000 0.5000 0.1584 ( 10888 PWs) bands (ev): -50.7049 -50.7049 -50.6717 -50.6717 -28.7156 -28.7156 -28.5603 -28.5603 -26.8701 -26.8701 -26.6268 -26.6268 -26.4364 -26.4364 -26.3347 -26.3347 -13.2734 -13.2734 -10.1191 -10.1191 -9.9036 -9.9036 -5.3288 -5.3288 -3.8863 -3.8863 -2.9472 -2.9472 -1.8985 -1.8985 -1.0410 -1.0410 -0.6717 -0.6717 -0.4473 -0.4473 -0.0804 -0.0804 0.6892 0.6892 2.7938 2.7938 3.0078 3.0078 3.3712 3.3712 3.4291 3.4291 3.5157 3.5157 3.9687 3.9687 4.4712 4.4712 4.7974 4.7974 5.0522 5.0522 5.2317 5.2317 k = 0.0000 0.5000 0.1782 ( 10894 PWs) bands (ev): -50.7047 -50.7047 -50.6720 -50.6720 -28.7138 -28.7138 -28.5616 -28.5616 -26.8684 -26.8684 -26.6294 -26.6294 -26.4360 -26.4360 -26.3352 -26.3352 -13.2715 -13.2715 -10.1189 -10.1189 -9.9033 -9.9033 -5.3285 -5.3285 -3.8856 -3.8856 -2.9433 -2.9433 -1.9070 -1.9070 -1.0383 -1.0383 -0.6745 -0.6745 -0.4508 -0.4508 -0.0772 -0.0772 0.6863 0.6863 2.8062 2.8062 3.0000 3.0000 3.3559 3.3559 3.4353 3.4353 3.4876 3.4876 3.9786 3.9786 4.3955 4.3955 4.8509 4.8509 5.0669 5.0669 5.1531 5.1531 k = 0.0000 0.5000 0.1980 ( 10876 PWs) bands (ev): -50.7043 -50.7043 -50.6722 -50.6722 -28.7118 -28.7118 -28.5631 -28.5631 -26.8666 -26.8666 -26.6321 -26.6321 -26.4355 -26.4355 -26.3356 -26.3356 -13.2695 -13.2695 -10.1186 -10.1186 -9.9030 -9.9030 -5.3282 -5.3282 -3.8850 -3.8850 -2.9391 -2.9391 -1.9159 -1.9159 -1.0354 -1.0354 -0.6774 -0.6774 -0.4544 -0.4544 -0.0739 -0.0739 0.6832 0.6832 2.8196 2.8196 2.9919 2.9919 3.3290 3.3290 3.4423 3.4423 3.4709 3.4709 3.9901 3.9901 4.3221 4.3221 4.9038 4.9038 5.0683 5.0683 5.0913 5.0913 k = 0.0000 0.5000 0.2178 ( 10876 PWs) bands (ev): -50.7040 -50.7040 -50.6725 -50.6725 -28.7098 -28.7098 -28.5646 -28.5646 -26.8647 -26.8647 -26.6350 -26.6350 -26.4350 -26.4350 -26.3361 -26.3361 -13.2674 -13.2674 -10.1183 -10.1183 -9.9027 -9.9027 -5.3279 -5.3279 -3.8842 -3.8842 -2.9348 -2.9348 -1.9252 -1.9252 -1.0324 -1.0324 -0.6804 -0.6804 -0.4581 -0.4581 -0.0704 -0.0704 0.6800 0.6800 2.8339 2.8339 2.9835 2.9835 3.2929 3.2929 3.4499 3.4499 3.4640 3.4640 4.0027 4.0027 4.2513 4.2513 4.9516 4.9516 4.9990 4.9990 5.1084 5.1084 k = 0.0000 0.5000 0.2376 ( 10868 PWs) bands (ev): -50.7036 -50.7036 -50.6728 -50.6728 -28.7077 -28.7077 -28.5662 -28.5662 -26.8627 -26.8627 -26.6380 -26.6380 -26.4345 -26.4345 -26.3366 -26.3366 -13.2653 -13.2653 -10.1180 -10.1180 -9.9024 -9.9024 -5.3276 -5.3276 -3.8835 -3.8835 -2.9303 -2.9303 -1.9347 -1.9347 -1.0293 -1.0293 -0.6835 -0.6835 -0.4618 -0.4618 -0.0670 -0.0670 0.6767 0.6767 2.8489 2.8489 2.9752 2.9752 3.2524 3.2524 3.4573 3.4573 3.4641 3.4641 4.0160 4.0160 4.1837 4.1837 4.9168 4.9168 5.0052 5.0052 5.1356 5.1356 k = 0.0000 0.5000 0.2574 ( 10870 PWs) bands (ev): -50.7033 -50.7033 -50.6732 -50.6732 -28.7055 -28.7055 -28.5678 -28.5678 -26.8606 -26.8606 -26.6410 -26.6410 -26.4340 -26.4340 -26.3372 -26.3372 -13.2632 -13.2632 -10.1178 -10.1178 -9.9021 -9.9021 -5.3272 -5.3272 -3.8828 -3.8828 -2.9257 -2.9257 -1.9441 -1.9441 -1.0262 -1.0262 -0.6866 -0.6866 -0.4655 -0.4655 -0.0636 -0.0636 0.6735 0.6735 2.8643 2.8643 2.9670 2.9670 3.2107 3.2107 3.4617 3.4617 3.4712 3.4712 4.0295 4.0295 4.1194 4.1194 4.8457 4.8457 5.0420 5.0420 5.1718 5.1718 k = 0.0000 0.5000 0.2772 ( 10870 PWs) bands (ev): -50.7029 -50.7029 -50.6736 -50.6736 -28.7033 -28.7033 -28.5695 -28.5695 -26.8586 -26.8586 -26.6440 -26.6440 -26.4335 -26.4335 -26.3377 -26.3377 -13.2612 -13.2612 -10.1175 -10.1175 -9.9019 -9.9019 -5.3269 -5.3269 -3.8821 -3.8821 -2.9212 -2.9212 -1.9535 -1.9535 -1.0230 -1.0230 -0.6897 -0.6897 -0.4692 -0.4692 -0.0602 -0.0602 0.6704 0.6704 2.8798 2.8798 2.9591 2.9591 3.1698 3.1698 3.4651 3.4651 3.4817 3.4817 4.0427 4.0427 4.0588 4.0588 4.7767 4.7767 5.0708 5.0708 5.2168 5.2168 k = 0.0000 0.5000 0.2970 ( 10874 PWs) bands (ev): -50.7026 -50.7026 -50.6739 -50.6739 -28.7011 -28.7011 -28.5711 -28.5711 -26.8565 -26.8565 -26.6470 -26.6470 -26.4330 -26.4330 -26.3382 -26.3382 -13.2592 -13.2592 -10.1172 -10.1172 -9.9016 -9.9016 -5.3266 -5.3266 -3.8814 -3.8814 -2.9167 -2.9167 -1.9625 -1.9625 -1.0200 -1.0200 -0.6926 -0.6926 -0.4727 -0.4727 -0.0570 -0.0570 0.6674 0.6674 2.8950 2.8950 2.9518 2.9518 3.1309 3.1309 3.4688 3.4688 3.4937 3.4937 4.0017 4.0017 4.0557 4.0557 4.7114 4.7114 5.0927 5.0927 5.2677 5.2677 k = 0.0000 0.5000 0.3168 ( 10874 PWs) bands (ev): -50.7023 -50.7023 -50.6743 -50.6743 -28.6990 -28.6990 -28.5727 -28.5727 -26.8545 -26.8545 -26.6499 -26.6499 -26.4326 -26.4326 -26.3387 -26.3387 -13.2573 -13.2573 -10.1170 -10.1170 -9.9013 -9.9013 -5.3264 -5.3264 -3.8808 -3.8808 -2.9125 -2.9125 -1.9710 -1.9710 -1.0171 -1.0171 -0.6955 -0.6955 -0.4759 -0.4759 -0.0539 -0.0539 0.6645 0.6645 2.9089 2.9089 2.9459 2.9459 3.0950 3.0950 3.4726 3.4726 3.5069 3.5069 3.9486 3.9486 4.0678 4.0678 4.6503 4.6503 5.1100 5.1100 5.3213 5.3213 k = 0.0000 0.5000 0.3366 ( 10858 PWs) bands (ev): -50.7019 -50.7019 -50.6745 -50.6745 -28.6970 -28.6970 -28.5743 -28.5743 -26.8526 -26.8526 -26.6526 -26.6526 -26.4321 -26.4321 -26.3391 -26.3391 -13.2555 -13.2555 -10.1167 -10.1167 -9.9011 -9.9011 -5.3261 -5.3261 -3.8802 -3.8802 -2.9085 -2.9085 -1.9790 -1.9790 -1.0144 -1.0144 -0.6981 -0.6981 -0.4790 -0.4790 -0.0511 -0.0511 0.6619 0.6619 2.9190 2.9190 2.9434 2.9434 3.0626 3.0626 3.4763 3.4763 3.5213 3.5213 3.8994 3.8994 4.0789 4.0789 4.5941 4.5941 5.1242 5.1242 5.3748 5.3748 k = 0.0000 0.5000 0.3564 ( 10846 PWs) bands (ev): -50.7016 -50.7016 -50.6748 -50.6748 -28.6951 -28.6951 -28.5758 -28.5758 -26.8508 -26.8508 -26.6552 -26.6552 -26.4317 -26.4317 -26.3395 -26.3395 -13.2539 -13.2539 -10.1165 -10.1165 -9.9008 -9.9008 -5.3259 -5.3259 -3.8796 -3.8796 -2.9048 -2.9048 -1.9862 -1.9862 -1.0119 -1.0119 -0.7005 -0.7005 -0.4817 -0.4817 -0.0486 -0.0486 0.6596 0.6596 2.9212 2.9212 2.9481 2.9481 3.0345 3.0345 3.4797 3.4797 3.5368 3.5368 3.8541 3.8541 4.0889 4.0889 4.5433 4.5433 5.1361 5.1361 5.4261 5.4261 k = 0.0000 0.5000 0.3762 ( 10836 PWs) bands (ev): -50.7013 -50.7013 -50.6750 -50.6750 -28.6935 -28.6935 -28.5771 -28.5771 -26.8492 -26.8492 -26.6574 -26.6574 -26.4314 -26.4314 -26.3399 -26.3399 -13.2525 -13.2525 -10.1163 -10.1163 -9.9006 -9.9006 -5.3257 -5.3257 -3.8791 -3.8791 -2.9016 -2.9016 -1.9925 -1.9925 -1.0097 -1.0097 -0.7026 -0.7026 -0.4841 -0.4841 -0.0464 -0.0464 0.6575 0.6575 2.9181 2.9181 2.9564 2.9564 3.0115 3.0115 3.4827 3.4827 3.5535 3.5535 3.8127 3.8127 4.0976 4.0976 4.4988 4.4988 5.1459 5.1459 5.4735 5.4735 k = 0.0000 0.5000 0.3960 ( 10854 PWs) bands (ev): -50.7011 -50.7011 -50.6753 -50.6753 -28.6920 -28.6920 -28.5782 -28.5782 -26.8478 -26.8478 -26.6593 -26.6593 -26.4311 -26.4311 -26.3402 -26.3402 -13.2514 -13.2514 -10.1162 -10.1162 -9.9005 -9.9005 -5.3255 -5.3255 -3.8787 -3.8787 -2.8988 -2.8988 -1.9979 -1.9979 -1.0078 -1.0078 -0.7044 -0.7044 -0.4861 -0.4861 -0.0445 -0.0445 0.6558 0.6558 2.9138 2.9138 2.9621 2.9621 2.9959 2.9959 3.4853 3.4853 3.5713 3.5713 3.7750 3.7750 4.1049 4.1049 4.4610 4.4610 5.1540 5.1540 5.5154 5.5154 k = 0.0000 0.5000 0.4158 ( 10854 PWs) bands (ev): -50.7010 -50.7010 -50.6755 -50.6755 -28.6909 -28.6909 -28.5792 -28.5792 -26.8467 -26.8467 -26.6609 -26.6609 -26.4308 -26.4308 -26.3404 -26.3404 -13.2504 -13.2504 -10.1160 -10.1160 -9.9003 -9.9003 -5.3253 -5.3253 -3.8784 -3.8784 -2.8966 -2.8966 -2.0022 -2.0022 -1.0063 -1.0063 -0.7058 -0.7058 -0.4877 -0.4877 -0.0430 -0.0430 0.6544 0.6544 2.9096 2.9096 2.9601 2.9601 2.9911 2.9911 3.4874 3.4874 3.5902 3.5902 3.7409 3.7409 4.1106 4.1106 4.4307 4.4307 5.1602 5.1602 5.5500 5.5500 k = 0.0000 0.5000 0.4356 ( 10854 PWs) bands (ev): -50.7008 -50.7008 -50.6756 -50.6756 -28.6900 -28.6900 -28.5798 -28.5798 -26.8459 -26.8459 -26.6620 -26.6620 -26.4306 -26.4306 -26.3406 -26.3406 -13.2498 -13.2498 -10.1160 -10.1160 -9.9002 -9.9002 -5.3252 -5.3252 -3.8782 -3.8782 -2.8950 -2.8950 -2.0053 -2.0053 -1.0052 -1.0052 -0.7068 -0.7068 -0.4888 -0.4888 -0.0420 -0.0420 0.6534 0.6534 2.9061 2.9061 2.9539 2.9539 2.9932 2.9932 3.4889 3.4889 3.6103 3.6103 3.7101 3.7101 4.1147 4.1147 4.4085 4.4085 5.1646 5.1646 5.5760 5.5760 k = 0.0000 0.5000 0.4554 ( 10856 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6895 -28.6895 -28.5803 -28.5803 -26.8454 -26.8454 -26.6627 -26.6627 -26.4305 -26.4305 -26.3407 -26.3407 -13.2493 -13.2493 -10.1159 -10.1159 -9.9002 -9.9002 -5.3252 -5.3252 -3.8781 -3.8781 -2.8940 -2.8940 -2.0071 -2.0071 -1.0046 -1.0046 -0.7075 -0.7075 -0.4895 -0.4895 -0.0413 -0.0413 0.6528 0.6528 2.9037 2.9037 2.9490 2.9490 2.9958 2.9958 3.4898 3.4898 3.6316 3.6316 3.6825 3.6825 4.1172 4.1172 4.3950 4.3950 5.1673 5.1673 5.5922 5.5922 k = 0.0000 0.5000 0.4752 ( 10844 PWs) bands (ev): -50.7007 -50.7007 -50.6757 -50.6757 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6629 -26.6629 -26.4305 -26.4305 -26.3408 -26.3408 -13.2492 -13.2492 -10.1159 -10.1159 -9.9002 -9.9002 -5.3252 -5.3252 -3.8780 -3.8780 -2.8937 -2.8937 -2.0078 -2.0078 -1.0043 -1.0043 -0.7077 -0.7077 -0.4897 -0.4897 -0.0411 -0.0411 0.6526 0.6526 2.9029 2.9029 2.9474 2.9474 2.9969 2.9969 3.4901 3.4901 3.6492 3.6492 3.6629 3.6629 4.1181 4.1181 4.3905 4.3905 5.1682 5.1682 5.5976 5.5976 k = 0.5000 0.5000-0.0000 ( 10768 PWs) bands (ev): -50.7059 -50.7059 -50.6699 -50.6699 -28.7228 -28.7228 -28.5550 -28.5550 -26.8767 -26.8767 -26.6163 -26.6163 -26.4383 -26.4383 -26.3328 -26.3328 -13.2417 -13.2417 -10.1251 -10.1251 -10.0850 -10.0850 -5.1099 -5.1099 -3.5901 -3.5901 -2.6477 -2.6477 -1.7466 -1.7466 -1.2110 -1.2110 -0.7905 -0.7905 -0.6821 -0.6821 -0.5817 -0.5817 0.7269 0.7269 2.7971 2.7971 2.8402 2.8402 3.0635 3.0635 3.6185 3.6185 3.8995 3.8995 4.2778 4.2778 4.5158 4.5158 5.0254 5.0254 5.0508 5.0508 5.0844 5.0844 k = 0.5000 0.5000 0.0198 ( 10792 PWs) bands (ev): -50.7060 -50.7060 -50.6700 -50.6700 -28.7227 -28.7227 -28.5551 -28.5551 -26.8766 -26.8766 -26.6165 -26.6165 -26.4383 -26.4383 -26.3328 -26.3328 -13.2415 -13.2415 -10.1251 -10.1251 -10.0850 -10.0850 -5.1099 -5.1099 -3.5901 -3.5901 -2.6474 -2.6474 -1.7472 -1.7472 -1.2109 -1.2109 -0.7904 -0.7904 -0.6822 -0.6822 -0.5819 -0.5819 0.7267 0.7267 2.7975 2.7975 2.8407 2.8407 3.0629 3.0629 3.6188 3.6188 3.8930 3.8930 4.2684 4.2684 4.5333 4.5333 5.0097 5.0097 5.0492 5.0492 5.0731 5.0731 k = 0.5000 0.5000 0.0396 ( 10796 PWs) bands (ev): -50.7060 -50.7060 -50.6701 -50.6701 -28.7223 -28.7223 -28.5554 -28.5554 -26.8763 -26.8763 -26.6171 -26.6171 -26.4382 -26.4382 -26.3329 -26.3329 -13.2411 -13.2411 -10.1251 -10.1251 -10.0850 -10.0850 -5.1098 -5.1098 -3.5900 -3.5900 -2.6463 -2.6463 -1.7489 -1.7489 -1.2103 -1.2103 -0.7898 -0.7898 -0.6827 -0.6827 -0.5826 -0.5826 0.7260 0.7260 2.7987 2.7987 2.8424 2.8424 3.0611 3.0611 3.6197 3.6197 3.8736 3.8736 4.2482 4.2482 4.5775 4.5775 4.9668 4.9668 5.0257 5.0257 5.0608 5.0608 k = 0.5000 0.5000 0.0594 ( 10804 PWs) bands (ev): -50.7059 -50.7059 -50.6702 -50.6702 -28.7217 -28.7217 -28.5558 -28.5558 -26.8758 -26.8758 -26.6179 -26.6179 -26.4380 -26.4380 -26.3331 -26.3331 -13.2404 -13.2404 -10.1250 -10.1250 -10.0849 -10.0849 -5.1097 -5.1097 -3.5899 -3.5899 -2.6446 -2.6446 -1.7518 -1.7518 -1.2095 -1.2095 -0.7889 -0.7889 -0.6834 -0.6834 -0.5836 -0.5836 0.7248 0.7248 2.8008 2.8008 2.8451 2.8451 3.0582 3.0582 3.6211 3.6211 3.8415 3.8415 4.2292 4.2292 4.6365 4.6365 4.9051 4.9051 4.9714 4.9714 5.0625 5.0625 k = 0.5000 0.5000 0.0792 ( 10828 PWs) bands (ev): -50.7058 -50.7058 -50.6704 -50.6704 -28.7209 -28.7209 -28.5564 -28.5564 -26.8750 -26.8750 -26.6191 -26.6191 -26.4378 -26.4378 -26.3333 -26.3333 -13.2395 -13.2395 -10.1248 -10.1248 -10.0848 -10.0848 -5.1096 -5.1096 -3.5898 -3.5898 -2.6423 -2.6423 -1.7557 -1.7557 -1.2082 -1.2082 -0.7877 -0.7877 -0.6844 -0.6844 -0.5851 -0.5851 0.7232 0.7232 2.8036 2.8036 2.8490 2.8490 3.0542 3.0542 3.6231 3.6231 3.7981 3.7981 4.2170 4.2170 4.7027 4.7027 4.8328 4.8328 4.9037 4.9037 5.0673 5.0673 k = 0.5000 0.5000 0.0990 ( 10820 PWs) bands (ev): -50.7056 -50.7056 -50.6706 -50.6706 -28.7199 -28.7199 -28.5572 -28.5572 -26.8740 -26.8740 -26.6206 -26.6206 -26.4376 -26.4376 -26.3336 -26.3336 -13.2383 -13.2383 -10.1247 -10.1247 -10.0847 -10.0847 -5.1095 -5.1095 -3.5897 -3.5897 -2.6393 -2.6393 -1.7607 -1.7607 -1.2067 -1.2067 -0.7861 -0.7861 -0.6857 -0.6857 -0.5869 -0.5869 0.7213 0.7213 2.8072 2.8072 2.8539 2.8539 3.0492 3.0492 3.6256 3.6256 3.7460 3.7460 4.2124 4.2124 4.7466 4.7466 4.7811 4.7811 4.8288 4.8288 5.0737 5.0737 k = 0.5000 0.5000 0.1188 ( 10836 PWs) bands (ev): -50.7054 -50.7054 -50.6709 -50.6709 -28.7186 -28.7186 -28.5581 -28.5581 -26.8729 -26.8729 -26.6224 -26.6224 -26.4372 -26.4372 -26.3339 -26.3339 -13.2369 -13.2369 -10.1245 -10.1245 -10.0845 -10.0845 -5.1093 -5.1093 -3.5895 -3.5895 -2.6357 -2.6357 -1.7665 -1.7665 -1.2049 -1.2049 -0.7842 -0.7842 -0.6872 -0.6872 -0.5890 -0.5890 0.7189 0.7189 2.8117 2.8117 2.8599 2.8599 3.0434 3.0434 3.6285 3.6285 3.6880 3.6880 4.2145 4.2145 4.6703 4.6703 4.7501 4.7501 4.8493 4.8493 5.0814 5.0814 k = 0.5000 0.5000 0.1386 ( 10812 PWs) bands (ev): -50.7050 -50.7050 -50.6711 -50.6711 -28.7172 -28.7172 -28.5591 -28.5591 -26.8715 -26.8715 -26.6245 -26.6245 -26.4369 -26.4369 -26.3343 -26.3343 -13.2353 -13.2353 -10.1242 -10.1242 -10.0843 -10.0843 -5.1091 -5.1091 -3.5893 -3.5893 -2.6316 -2.6316 -1.7733 -1.7733 -1.2028 -1.2028 -0.7820 -0.7820 -0.6889 -0.6889 -0.5915 -0.5915 0.7162 0.7162 2.8169 2.8169 2.8670 2.8670 3.0368 3.0368 3.6267 3.6267 3.6318 3.6318 4.2217 4.2217 4.5888 4.5888 4.6699 4.6699 4.9234 4.9234 5.0903 5.0903 k = 0.5000 0.5000 0.1584 ( 10804 PWs) bands (ev): -50.7047 -50.7047 -50.6714 -50.6714 -28.7155 -28.7155 -28.5603 -28.5603 -26.8700 -26.8700 -26.6268 -26.6268 -26.4365 -26.4365 -26.3347 -26.3347 -13.2335 -13.2335 -10.1240 -10.1240 -10.0841 -10.0841 -5.1089 -5.1089 -3.5891 -3.5891 -2.6269 -2.6269 -1.7807 -1.7807 -1.2005 -1.2005 -0.7795 -0.7795 -0.6908 -0.6908 -0.5943 -0.5943 0.7133 0.7133 2.8229 2.8229 2.8751 2.8751 3.0296 3.0296 3.5640 3.5640 3.6355 3.6355 4.2328 4.2328 4.5078 4.5078 4.5897 4.5897 4.9982 4.9982 5.1000 5.1000 k = 0.5000 0.5000 0.1782 ( 10804 PWs) bands (ev): -50.7044 -50.7044 -50.6717 -50.6717 -28.7137 -28.7137 -28.5616 -28.5616 -26.8684 -26.8684 -26.6294 -26.6294 -26.4360 -26.4360 -26.3351 -26.3351 -13.2316 -13.2316 -10.1237 -10.1237 -10.0839 -10.0839 -5.1087 -5.1087 -3.5889 -3.5889 -2.6219 -2.6219 -1.7888 -1.7888 -1.1980 -1.1980 -0.7768 -0.7768 -0.6929 -0.6929 -0.5972 -0.5972 0.7101 0.7101 2.8296 2.8296 2.8842 2.8842 3.0219 3.0219 3.5012 3.5012 3.6394 3.6394 4.2467 4.2467 4.4285 4.4285 4.5107 4.5107 5.0730 5.0730 5.1104 5.1104 k = 0.5000 0.5000 0.1980 ( 10820 PWs) bands (ev): -50.7041 -50.7041 -50.6721 -50.6721 -28.7118 -28.7118 -28.5631 -28.5631 -26.8666 -26.8666 -26.6321 -26.6321 -26.4356 -26.4356 -26.3356 -26.3356 -13.2296 -13.2296 -10.1234 -10.1234 -10.0836 -10.0836 -5.1084 -5.1084 -3.5887 -3.5887 -2.6166 -2.6166 -1.7974 -1.7974 -1.1953 -1.1953 -0.7739 -0.7739 -0.6952 -0.6952 -0.6004 -0.6004 0.7068 0.7068 2.8371 2.8371 2.8943 2.8943 3.0139 3.0139 3.4394 3.4394 3.6436 3.6436 4.2624 4.2624 4.3518 4.3518 4.4334 4.4334 5.1213 5.1213 5.1475 5.1475 k = 0.5000 0.5000 0.2178 ( 10808 PWs) bands (ev): -50.7037 -50.7037 -50.6724 -50.6724 -28.7098 -28.7098 -28.5646 -28.5646 -26.8646 -26.8646 -26.6350 -26.6350 -26.4351 -26.4351 -26.3361 -26.3361 -13.2275 -13.2275 -10.1231 -10.1231 -10.0834 -10.0834 -5.1082 -5.1082 -3.5884 -3.5884 -2.6109 -2.6109 -1.8063 -1.8063 -1.1925 -1.1925 -0.7709 -0.7709 -0.6975 -0.6975 -0.6036 -0.6036 0.7033 0.7033 2.8452 2.8452 2.9052 2.9052 3.0058 3.0058 3.3795 3.3795 3.6478 3.6478 4.2716 4.2716 4.2859 4.2859 4.3585 4.3585 5.1325 5.1325 5.2212 5.2212 k = 0.5000 0.5000 0.2376 ( 10824 PWs) bands (ev): -50.7035 -50.7035 -50.6727 -50.6727 -28.7076 -28.7076 -28.5662 -28.5662 -26.8626 -26.8626 -26.6380 -26.6380 -26.4346 -26.4346 -26.3366 -26.3366 -13.2254 -13.2254 -10.1228 -10.1228 -10.0831 -10.0831 -5.1079 -5.1079 -3.5882 -3.5882 -2.6051 -2.6051 -1.8154 -1.8154 -1.1897 -1.1897 -0.7677 -0.7677 -0.7000 -0.7000 -0.6070 -0.6070 0.6999 0.6999 2.8540 2.8540 2.9169 2.9169 2.9977 2.9977 3.3219 3.3219 3.6521 3.6521 4.2055 4.2055 4.2864 4.2864 4.2991 4.2991 5.1438 5.1438 5.2938 5.2938 k = 0.5000 0.5000 0.2574 ( 10840 PWs) bands (ev): -50.7032 -50.7032 -50.6731 -50.6731 -28.7055 -28.7055 -28.5678 -28.5678 -26.8606 -26.8606 -26.6410 -26.6410 -26.4341 -26.4341 -26.3372 -26.3372 -13.2233 -13.2233 -10.1225 -10.1225 -10.0829 -10.0829 -5.1077 -5.1077 -3.5880 -3.5880 -2.5992 -2.5992 -1.8246 -1.8246 -1.1868 -1.1868 -0.7644 -0.7644 -0.7025 -0.7025 -0.6103 -0.6103 0.6964 0.6964 2.8632 2.8632 2.9291 2.9291 2.9900 2.9900 3.2674 3.2674 3.6564 3.6564 4.1384 4.1384 4.2176 4.2176 4.3174 4.3174 5.1550 5.1550 5.3649 5.3649 k = 0.5000 0.5000 0.2772 ( 10852 PWs) bands (ev): -50.7030 -50.7030 -50.6735 -50.6735 -28.7033 -28.7033 -28.5695 -28.5695 -26.8585 -26.8585 -26.6441 -26.6441 -26.4336 -26.4336 -26.3377 -26.3377 -13.2212 -13.2212 -10.1222 -10.1222 -10.0826 -10.0826 -5.1074 -5.1074 -3.5877 -3.5877 -2.5933 -2.5933 -1.8337 -1.8337 -1.1840 -1.1840 -0.7611 -0.7611 -0.7050 -0.7050 -0.6136 -0.6136 0.6930 0.6930 2.8729 2.8729 2.9413 2.9413 2.9831 2.9831 3.2163 3.2163 3.6606 3.6606 4.0751 4.0751 4.1524 4.1524 4.3356 4.3356 5.1660 5.1660 5.4340 5.4340 k = 0.5000 0.5000 0.2970 ( 10860 PWs) bands (ev): -50.7026 -50.7026 -50.6739 -50.6739 -28.7011 -28.7011 -28.5711 -28.5711 -26.8565 -26.8565 -26.6471 -26.6471 -26.4331 -26.4331 -26.3382 -26.3382 -13.2191 -13.2191 -10.1219 -10.1219 -10.0824 -10.0824 -5.1072 -5.1072 -3.5875 -3.5875 -2.5875 -2.5875 -1.8425 -1.8425 -1.1812 -1.1812 -0.7577 -0.7577 -0.7076 -0.7076 -0.6168 -0.6168 0.6897 0.6897 2.8829 2.8829 2.9521 2.9521 2.9786 2.9786 3.1690 3.1690 3.6646 3.6646 4.0161 4.0161 4.0911 4.0911 4.3533 4.3533 5.1765 5.1765 5.5006 5.5006 k = 0.5000 0.5000 0.3168 ( 10860 PWs) bands (ev): -50.7022 -50.7022 -50.6743 -50.6743 -28.6990 -28.6990 -28.5728 -28.5728 -26.8545 -26.8545 -26.6499 -26.6499 -26.4326 -26.4326 -26.3387 -26.3387 -13.2172 -13.2172 -10.1217 -10.1217 -10.0822 -10.0822 -5.1070 -5.1070 -3.5873 -3.5873 -2.5819 -2.5819 -1.8509 -1.8509 -1.1786 -1.1786 -0.7544 -0.7544 -0.7102 -0.7102 -0.6198 -0.6198 0.6866 0.6866 2.8930 2.8930 2.9567 2.9567 2.9809 2.9809 3.1259 3.1259 3.6683 3.6683 3.9616 3.9616 4.0343 4.0343 4.3702 4.3702 5.1864 5.1864 5.5641 5.5641 k = 0.5000 0.5000 0.3366 ( 10860 PWs) bands (ev): -50.7019 -50.7019 -50.6746 -50.6746 -28.6970 -28.6970 -28.5743 -28.5743 -26.8526 -26.8526 -26.6527 -26.6527 -26.4322 -26.4322 -26.3391 -26.3391 -13.2154 -13.2154 -10.1214 -10.1214 -10.0820 -10.0820 -5.1068 -5.1068 -3.5870 -3.5870 -2.5767 -2.5767 -1.8588 -1.8588 -1.1761 -1.1761 -0.7512 -0.7512 -0.7127 -0.7127 -0.6227 -0.6227 0.6838 0.6838 2.9029 2.9029 2.9542 2.9542 2.9909 2.9909 3.0874 3.0874 3.6718 3.6718 3.9121 3.9121 3.9822 3.9822 4.3857 4.3857 5.1955 5.1955 5.6237 5.6237 k = 0.5000 0.5000 0.3564 ( 10860 PWs) bands (ev): -50.7016 -50.7016 -50.6748 -50.6748 -28.6951 -28.6951 -28.5758 -28.5758 -26.8508 -26.8508 -26.6552 -26.6552 -26.4318 -26.4318 -26.3395 -26.3395 -13.2138 -13.2138 -10.1212 -10.1212 -10.0818 -10.0818 -5.1066 -5.1066 -3.5869 -3.5869 -2.5719 -2.5719 -1.8659 -1.8659 -1.1739 -1.1739 -0.7480 -0.7480 -0.7152 -0.7152 -0.6252 -0.6252 0.6812 0.6812 2.9123 2.9123 2.9497 2.9497 3.0033 3.0033 3.0536 3.0536 3.6748 3.6748 3.8679 3.8679 3.9354 3.9354 4.3998 4.3998 5.2037 5.2037 5.6784 5.6784 k = 0.5000 0.5000 0.3762 ( 10856 PWs) bands (ev): -50.7014 -50.7014 -50.6751 -50.6751 -28.6935 -28.6935 -28.5771 -28.5771 -26.8492 -26.8492 -26.6574 -26.6574 -26.4314 -26.4314 -26.3399 -26.3399 -13.2124 -13.2124 -10.1210 -10.1210 -10.0816 -10.0816 -5.1064 -5.1064 -3.5867 -3.5867 -2.5677 -2.5677 -1.8722 -1.8722 -1.1719 -1.1719 -0.7449 -0.7449 -0.7177 -0.7177 -0.6275 -0.6275 0.6789 0.6789 2.9209 2.9209 2.9451 2.9451 3.0157 3.0157 3.0250 3.0250 3.6774 3.6774 3.8295 3.8295 3.8944 3.8944 4.4121 4.4121 5.2108 5.2108 5.7274 5.7274 k = 0.5000 0.5000 0.3960 ( 10848 PWs) bands (ev): -50.7011 -50.7011 -50.6752 -50.6752 -28.6920 -28.6920 -28.5782 -28.5782 -26.8478 -26.8478 -26.6594 -26.6594 -26.4311 -26.4311 -26.3402 -26.3402 -13.2112 -13.2112 -10.1208 -10.1208 -10.0815 -10.0815 -5.1063 -5.1063 -3.5866 -3.5866 -2.5640 -2.5640 -1.8775 -1.8775 -1.1703 -1.1703 -0.7420 -0.7420 -0.7201 -0.7201 -0.6294 -0.6294 0.6771 0.6771 2.9281 2.9281 2.9411 2.9411 3.0018 3.0018 3.0271 3.0271 3.6795 3.6795 3.7973 3.7973 3.8597 3.8597 4.4225 4.4225 5.2168 5.2168 5.7695 5.7695 k = 0.5000 0.5000 0.4158 ( 10844 PWs) bands (ev): -50.7009 -50.7009 -50.6754 -50.6754 -28.6908 -28.6908 -28.5792 -28.5792 -26.8467 -26.8467 -26.6609 -26.6609 -26.4309 -26.4309 -26.3404 -26.3404 -13.2103 -13.2103 -10.1207 -10.1207 -10.0813 -10.0813 -5.1061 -5.1061 -3.5865 -3.5865 -2.5611 -2.5611 -1.8818 -1.8818 -1.1689 -1.1689 -0.7392 -0.7392 -0.7225 -0.7225 -0.6309 -0.6309 0.6756 0.6756 2.9332 2.9332 2.9379 2.9379 2.9846 2.9846 3.0368 3.0368 3.6811 3.6811 3.7716 3.7716 3.8319 3.8319 4.4307 4.4307 5.2216 5.2216 5.8037 5.8037 k = 0.5000 0.5000 0.4356 ( 10820 PWs) bands (ev): -50.7007 -50.7007 -50.6755 -50.6755 -28.6900 -28.6900 -28.5798 -28.5798 -26.8459 -26.8459 -26.6620 -26.6620 -26.4307 -26.4307 -26.3406 -26.3406 -13.2096 -13.2096 -10.1206 -10.1206 -10.0813 -10.0813 -5.1061 -5.1061 -3.5864 -3.5864 -2.5590 -2.5590 -1.8849 -1.8849 -1.1679 -1.1679 -0.7366 -0.7366 -0.7247 -0.7247 -0.6320 -0.6320 0.6745 0.6745 2.9355 2.9355 2.9356 2.9356 2.9738 2.9738 3.0443 3.0443 3.6822 3.6822 3.7529 3.7529 3.8116 3.8116 4.4366 4.4366 5.2250 5.2250 5.8290 5.8290 k = 0.5000 0.5000 0.4554 ( 10832 PWs) bands (ev): -50.7007 -50.7007 -50.6756 -50.6756 -28.6895 -28.6895 -28.5803 -28.5803 -26.8454 -26.8454 -26.6627 -26.6627 -26.4306 -26.4306 -26.3407 -26.3407 -13.2092 -13.2092 -10.1205 -10.1205 -10.0812 -10.0812 -5.1060 -5.1060 -3.5863 -3.5863 -2.5576 -2.5576 -1.8868 -1.8868 -1.1674 -1.1674 -0.7345 -0.7345 -0.7267 -0.7267 -0.6327 -0.6327 0.6738 0.6738 2.9341 2.9341 2.9358 2.9358 2.9687 2.9687 3.0490 3.0490 3.6828 3.6828 3.7416 3.7416 3.7993 3.7993 4.4402 4.4402 5.2271 5.2271 5.8445 5.8445 k = 0.5000 0.5000 0.4752 ( 10816 PWs) bands (ev): -50.7006 -50.7006 -50.6756 -50.6756 -28.6893 -28.6893 -28.5804 -28.5804 -26.8452 -26.8452 -26.6630 -26.6630 -26.4306 -26.4306 -26.3408 -26.3408 -13.2090 -13.2090 -10.1205 -10.1205 -10.0812 -10.0812 -5.1060 -5.1060 -3.5863 -3.5863 -2.5572 -2.5572 -1.8875 -1.8875 -1.1672 -1.1672 -0.7334 -0.7334 -0.7277 -0.7277 -0.6329 -0.6329 0.6736 0.6736 2.9336 2.9336 2.9355 2.9355 2.9674 2.9674 3.0506 3.0506 3.6830 3.6830 3.7378 3.7378 3.7952 3.7952 4.4414 4.4414 5.2278 5.2278 5.8498 5.8498 Writing output data file NbTe2.save init_run : 0.37s CPU 0.49s WALL ( 1 calls) electrons : 429.19s CPU 432.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 429.19s CPU 432.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 251 calls) cegterg : 388.55s CPU 391.07s WALL ( 266 calls) Called by sum_band: Called by *egterg: h_psi : 267.81s CPU 270.31s WALL ( 4236 calls) s_psi : 7.63s CPU 7.58s WALL ( 4236 calls) g_psi : 0.26s CPU 0.28s WALL ( 3719 calls) cdiaghg : 115.37s CPU 115.54s WALL ( 3970 calls) cegterg:over : 14.95s CPU 15.05s WALL ( 3719 calls) cegterg:upda : 8.14s CPU 8.12s WALL ( 3719 calls) cegterg:last : 6.86s CPU 6.89s WALL ( 1018 calls) cdiaghg:chol : 4.01s CPU 4.11s WALL ( 3970 calls) cdiaghg:inve : 2.73s CPU 2.66s WALL ( 3970 calls) cdiaghg:para : 11.39s CPU 11.30s WALL ( 7940 calls) Called by h_psi: h_psi:vloc : 249.22s CPU 251.63s WALL ( 4236 calls) h_psi:vnl : 18.35s CPU 18.41s WALL ( 4236 calls) add_vuspsi : 8.92s CPU 8.91s WALL ( 4236 calls) General routines calbec : 9.41s CPU 9.48s WALL ( 4236 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 245.18s CPU 247.68s WALL ( 707692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.36s WALL ( 502 calls) Parallel routines fft_scatter : 201.69s CPU 204.07s WALL ( 707715 calls) PWSCF : 8m13.90s CPU 8m31.45s WALL This run was terminated on: 8:25: 6 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=