Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:13:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KLiSe.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 66 18 3906 3906 574 Max 67 67 20 3913 3913 581 Sum 2385 2385 673 140689 140689 20767 bravais-lattice index = 14 lattice parameter (alat) = 8.5359 a.u. unit-cell volume = 997.0002 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.535892 celldm(2)= 1.000000 celldm(3)= 1.603055 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 1.603055 ) 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 0.623809 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Li 3.00 6.94100 Li( 1.00) Se 6.00 78.96000 Se( 1.00) K 9.00 39.09830 K( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0031746 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031746 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0031746 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0031746 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0031746 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0031746 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031746 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031746 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0031746 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031746 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0031746 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0031746 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0031746 k( 100) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0031746 k( 101) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0031746 k( 102) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0031746 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0031746 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0031746 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0031746 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031746 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031746 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0031746 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0031746 k( 112) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0031746 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031746 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031746 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0031746 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0031746 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031746 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031746 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0031746 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031746 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.0141775), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.0283550), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.0425324), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.0567099), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0708874), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0850648), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.0992423), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.1134198), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.1275973), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.1417747), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.1559522), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.1701297), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.1843072), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.1984846), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.2126621), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.2268396), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.2410171), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.2551945), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.2693720), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.2835495), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.2977270), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.3119044), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.3119044), wk = 0.0031746 k( 148) = ( 0.0000000 0.0142857 0.3119044), wk = 0.0031746 k( 149) = ( 0.0000000 0.0285714 0.3119044), wk = 0.0031746 k( 150) = ( 0.0000000 0.0428571 0.3119044), wk = 0.0031746 k( 151) = ( 0.0000000 0.0571429 0.3119044), wk = 0.0031746 k( 152) = ( 0.0000000 0.0714286 0.3119044), wk = 0.0031746 k( 153) = ( 0.0000000 0.0857143 0.3119044), wk = 0.0031746 k( 154) = ( 0.0000000 0.1000000 0.3119044), wk = 0.0031746 k( 155) = ( 0.0000000 0.1142857 0.3119044), wk = 0.0031746 k( 156) = ( 0.0000000 0.1285714 0.3119044), wk = 0.0031746 k( 157) = ( 0.0000000 0.1428571 0.3119044), wk = 0.0031746 k( 158) = ( 0.0000000 0.1571429 0.3119044), wk = 0.0031746 k( 159) = ( 0.0000000 0.1714286 0.3119044), wk = 0.0031746 k( 160) = ( 0.0000000 0.1857143 0.3119044), wk = 0.0031746 k( 161) = ( 0.0000000 0.2000000 0.3119044), wk = 0.0031746 k( 162) = ( 0.0000000 0.2142857 0.3119044), wk = 0.0031746 k( 163) = ( 0.0000000 0.2285714 0.3119044), wk = 0.0031746 k( 164) = ( 0.0000000 0.2428571 0.3119044), wk = 0.0031746 k( 165) = ( 0.0000000 0.2571429 0.3119044), wk = 0.0031746 k( 166) = ( 0.0000000 0.2714286 0.3119044), wk = 0.0031746 k( 167) = ( 0.0000000 0.2857143 0.3119044), wk = 0.0031746 k( 168) = ( 0.0000000 0.3000000 0.3119044), wk = 0.0031746 k( 169) = ( 0.0000000 0.3142857 0.3119044), wk = 0.0031746 k( 170) = ( 0.0000000 0.3285714 0.3119044), wk = 0.0031746 k( 171) = ( 0.0000000 0.3428571 0.3119044), wk = 0.0031746 k( 172) = ( 0.0000000 0.3571429 0.3119044), wk = 0.0031746 k( 173) = ( 0.0000000 0.3714286 0.3119044), wk = 0.0031746 k( 174) = ( 0.0000000 0.3857143 0.3119044), wk = 0.0031746 k( 175) = ( 0.0000000 0.4000000 0.3119044), wk = 0.0031746 k( 176) = ( 0.0000000 0.4142857 0.3119044), wk = 0.0031746 k( 177) = ( 0.0000000 0.4285714 0.3119044), wk = 0.0031746 k( 178) = ( 0.0000000 0.4428571 0.3119044), wk = 0.0031746 k( 179) = ( 0.0000000 0.4571429 0.3119044), wk = 0.0031746 k( 180) = ( 0.0000000 0.4714286 0.3119044), wk = 0.0031746 k( 181) = ( 0.0000000 0.4857143 0.3119044), wk = 0.0031746 k( 182) = ( 0.0000000 0.5000000 0.3119044), wk = 0.0031746 k( 183) = ( 0.0000000 0.5000000 0.3119044), wk = 0.0031746 k( 184) = ( 0.0142857 0.5000000 0.3119044), wk = 0.0031746 k( 185) = ( 0.0285714 0.5000000 0.3119044), wk = 0.0031746 k( 186) = ( 0.0428571 0.5000000 0.3119044), wk = 0.0031746 k( 187) = ( 0.0571429 0.5000000 0.3119044), wk = 0.0031746 k( 188) = ( 0.0714286 0.5000000 0.3119044), wk = 0.0031746 k( 189) = ( 0.0857143 0.5000000 0.3119044), wk = 0.0031746 k( 190) = ( 0.1000000 0.5000000 0.3119044), wk = 0.0031746 k( 191) = ( 0.1142857 0.5000000 0.3119044), wk = 0.0031746 k( 192) = ( 0.1285714 0.5000000 0.3119044), wk = 0.0031746 k( 193) = ( 0.1428571 0.5000000 0.3119044), wk = 0.0031746 k( 194) = ( 0.1571429 0.5000000 0.3119044), wk = 0.0031746 k( 195) = ( 0.1714286 0.5000000 0.3119044), wk = 0.0031746 k( 196) = ( 0.1857143 0.5000000 0.3119044), wk = 0.0031746 k( 197) = ( 0.2000000 0.5000000 0.3119044), wk = 0.0031746 k( 198) = ( 0.2142857 0.5000000 0.3119044), wk = 0.0031746 k( 199) = ( 0.2285714 0.5000000 0.3119044), wk = 0.0031746 k( 200) = ( 0.2428571 0.5000000 0.3119044), wk = 0.0031746 k( 201) = ( 0.2571429 0.5000000 0.3119044), wk = 0.0031746 k( 202) = ( 0.2714286 0.5000000 0.3119044), wk = 0.0031746 k( 203) = ( 0.2857143 0.5000000 0.3119044), wk = 0.0031746 k( 204) = ( 0.3000000 0.5000000 0.3119044), wk = 0.0031746 k( 205) = ( 0.3142857 0.5000000 0.3119044), wk = 0.0031746 k( 206) = ( 0.3285714 0.5000000 0.3119044), wk = 0.0031746 k( 207) = ( 0.3428571 0.5000000 0.3119044), wk = 0.0031746 k( 208) = ( 0.3571429 0.5000000 0.3119044), wk = 0.0031746 k( 209) = ( 0.3714286 0.5000000 0.3119044), wk = 0.0031746 k( 210) = ( 0.3857143 0.5000000 0.3119044), wk = 0.0031746 k( 211) = ( 0.4000000 0.5000000 0.3119044), wk = 0.0031746 k( 212) = ( 0.4142857 0.5000000 0.3119044), wk = 0.0031746 k( 213) = ( 0.4285714 0.5000000 0.3119044), wk = 0.0031746 k( 214) = ( 0.4428571 0.5000000 0.3119044), wk = 0.0031746 k( 215) = ( 0.4571429 0.5000000 0.3119044), wk = 0.0031746 k( 216) = ( 0.4714286 0.5000000 0.3119044), wk = 0.0031746 k( 217) = ( 0.4857143 0.5000000 0.3119044), wk = 0.0031746 k( 218) = ( 0.5000000 0.5000000 0.3119044), wk = 0.0031746 k( 219) = ( 0.5000000 0.5000000 0.3119044), wk = 0.0031746 k( 220) = ( 0.4900000 0.4900000 0.3119044), wk = 0.0031746 k( 221) = ( 0.4800000 0.4800000 0.3119044), wk = 0.0031746 k( 222) = ( 0.4700000 0.4700000 0.3119044), wk = 0.0031746 k( 223) = ( 0.4600000 0.4600000 0.3119044), wk = 0.0031746 k( 224) = ( 0.4500000 0.4500000 0.3119044), wk = 0.0031746 k( 225) = ( 0.4400000 0.4400000 0.3119044), wk = 0.0031746 k( 226) = ( 0.4300000 0.4300000 0.3119044), wk = 0.0031746 k( 227) = ( 0.4200000 0.4200000 0.3119044), wk = 0.0031746 k( 228) = ( 0.4100000 0.4100000 0.3119044), wk = 0.0031746 k( 229) = ( 0.4000000 0.4000000 0.3119044), wk = 0.0031746 k( 230) = ( 0.3900000 0.3900000 0.3119044), wk = 0.0031746 k( 231) = ( 0.3800000 0.3800000 0.3119044), wk = 0.0031746 k( 232) = ( 0.3700000 0.3700000 0.3119044), wk = 0.0031746 k( 233) = ( 0.3600000 0.3600000 0.3119044), wk = 0.0031746 k( 234) = ( 0.3500000 0.3500000 0.3119044), wk = 0.0031746 k( 235) = ( 0.3400000 0.3400000 0.3119044), wk = 0.0031746 k( 236) = ( 0.3300000 0.3300000 0.3119044), wk = 0.0031746 k( 237) = ( 0.3200000 0.3200000 0.3119044), wk = 0.0031746 k( 238) = ( 0.3100000 0.3100000 0.3119044), wk = 0.0031746 k( 239) = ( 0.3000000 0.3000000 0.3119044), wk = 0.0031746 k( 240) = ( 0.2900000 0.2900000 0.3119044), wk = 0.0031746 k( 241) = ( 0.2800000 0.2800000 0.3119044), wk = 0.0031746 k( 242) = ( 0.2700000 0.2700000 0.3119044), wk = 0.0031746 k( 243) = ( 0.2600000 0.2600000 0.3119044), wk = 0.0031746 k( 244) = ( 0.2500000 0.2500000 0.3119044), wk = 0.0031746 k( 245) = ( 0.2400000 0.2400000 0.3119044), wk = 0.0031746 k( 246) = ( 0.2300000 0.2300000 0.3119044), wk = 0.0031746 k( 247) = ( 0.2200000 0.2200000 0.3119044), wk = 0.0031746 k( 248) = ( 0.2100000 0.2100000 0.3119044), wk = 0.0031746 k( 249) = ( 0.2000000 0.2000000 0.3119044), wk = 0.0031746 k( 250) = ( 0.1900000 0.1900000 0.3119044), wk = 0.0031746 k( 251) = ( 0.1800000 0.1800000 0.3119044), wk = 0.0031746 k( 252) = ( 0.1700000 0.1700000 0.3119044), wk = 0.0031746 k( 253) = ( 0.1600000 0.1600000 0.3119044), wk = 0.0031746 k( 254) = ( 0.1500000 0.1500000 0.3119044), wk = 0.0031746 k( 255) = ( 0.1400000 0.1400000 0.3119044), wk = 0.0031746 k( 256) = ( 0.1300000 0.1300000 0.3119044), wk = 0.0031746 k( 257) = ( 0.1200000 0.1200000 0.3119044), wk = 0.0031746 k( 258) = ( 0.1100000 0.1100000 0.3119044), wk = 0.0031746 k( 259) = ( 0.1000000 0.1000000 0.3119044), wk = 0.0031746 k( 260) = ( 0.0900000 0.0900000 0.3119044), wk = 0.0031746 k( 261) = ( 0.0800000 0.0800000 0.3119044), wk = 0.0031746 k( 262) = ( 0.0700000 0.0700000 0.3119044), wk = 0.0031746 k( 263) = ( 0.0600000 0.0600000 0.3119044), wk = 0.0031746 k( 264) = ( 0.0500000 0.0500000 0.3119044), wk = 0.0031746 k( 265) = ( 0.0400000 0.0400000 0.3119044), wk = 0.0031746 k( 266) = ( 0.0300000 0.0300000 0.3119044), wk = 0.0031746 k( 267) = ( 0.0200000 0.0200000 0.3119044), wk = 0.0031746 k( 268) = ( 0.0100000 0.0100000 0.3119044), wk = 0.0031746 k( 269) = ( 0.0000000 0.0000000 0.3119044), wk = 0.0031746 k( 270) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 271) = ( 0.0000000 0.5000000 0.0141775), wk = 0.0031746 k( 272) = ( 0.0000000 0.5000000 0.0283550), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0425324), wk = 0.0031746 k( 274) = ( 0.0000000 0.5000000 0.0567099), wk = 0.0031746 k( 275) = ( 0.0000000 0.5000000 0.0708874), wk = 0.0031746 k( 276) = ( 0.0000000 0.5000000 0.0850648), wk = 0.0031746 k( 277) = ( 0.0000000 0.5000000 0.0992423), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 0.1134198), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.1275973), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.1417747), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.1559522), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.1701297), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.1843072), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.1984846), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.2126621), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.2268396), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.2410171), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.2551945), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.2693720), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.2835495), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.2977270), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.3119044), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.0141775), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.0283550), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.0425324), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.0567099), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.0708874), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.0850648), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.0992423), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.1134198), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.1275973), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.1417747), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.1559522), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.1701297), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.1843072), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.1984846), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.2126621), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.2268396), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.2410171), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.2551945), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.2693720), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.2835495), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.2977270), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.3119044), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1714286 0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2285714 0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3428571 0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4428571 0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4571429 0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0031746 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0031746 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0031746 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0031746 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0031746 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0031746 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031746 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0031746 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0031746 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0031746 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0031746 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0031746 k( 78) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0031746 k( 80) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0031746 k( 82) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031746 k( 84) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031746 k( 85) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0031746 k( 86) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0031746 k( 87) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0031746 k( 90) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031746 k( 92) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031746 k( 94) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0031746 k( 95) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031746 k( 96) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0031746 k( 97) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0031746 k( 98) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0031746 k( 100) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0031746 k( 101) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0031746 k( 102) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0031746 k( 103) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0031746 k( 105) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0031746 k( 106) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0031746 k( 107) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031746 k( 108) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031746 k( 110) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0031746 k( 111) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0031746 k( 112) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0031746 k( 113) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031746 k( 114) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0031746 k( 115) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031746 k( 116) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0031746 k( 117) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0031746 k( 118) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031746 k( 119) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031746 k( 120) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0031746 k( 121) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031746 k( 122) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 148) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0031746 k( 149) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0031746 k( 150) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0031746 k( 151) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0031746 k( 152) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0031746 k( 153) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0031746 k( 154) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0031746 k( 155) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0031746 k( 156) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0031746 k( 157) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0031746 k( 158) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0031746 k( 159) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0031746 k( 160) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0031746 k( 161) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0031746 k( 162) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0031746 k( 163) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0031746 k( 164) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0031746 k( 165) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0031746 k( 166) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0031746 k( 167) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0031746 k( 168) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0031746 k( 169) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0031746 k( 170) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0031746 k( 171) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0031746 k( 172) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0031746 k( 173) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0031746 k( 174) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0031746 k( 175) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0031746 k( 176) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0031746 k( 177) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0031746 k( 178) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0031746 k( 179) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0031746 k( 180) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0031746 k( 181) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0031746 k( 182) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 183) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 184) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0031746 k( 187) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0031746 k( 188) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0031746 k( 189) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0031746 k( 190) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0031746 k( 191) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0031746 k( 192) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0031746 k( 193) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0031746 k( 194) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0031746 k( 195) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0031746 k( 196) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0031746 k( 197) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0031746 k( 198) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0031746 k( 199) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0031746 k( 200) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0031746 k( 201) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0031746 k( 202) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0031746 k( 203) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0031746 k( 204) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0031746 k( 205) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0031746 k( 206) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0031746 k( 207) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0031746 k( 208) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0031746 k( 209) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0031746 k( 210) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0031746 k( 211) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0031746 k( 212) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0031746 k( 213) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0031746 k( 214) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0031746 k( 217) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0031746 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 220) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0031746 k( 221) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0031746 k( 222) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0031746 k( 223) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0031746 k( 224) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0031746 k( 225) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0031746 k( 226) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0031746 k( 227) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0031746 k( 228) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0031746 k( 229) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0031746 k( 230) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0031746 k( 231) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0031746 k( 232) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0031746 k( 233) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0031746 k( 234) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0031746 k( 235) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0031746 k( 236) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0031746 k( 237) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031746 k( 238) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0031746 k( 239) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031746 k( 240) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0031746 k( 241) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031746 k( 242) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0031746 k( 243) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031746 k( 244) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031746 k( 245) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031746 k( 246) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0031746 k( 247) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031746 k( 248) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0031746 k( 249) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031746 k( 250) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0031746 k( 251) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031746 k( 252) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0031746 k( 253) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031746 k( 254) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0031746 k( 255) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031746 k( 256) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0031746 k( 257) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031746 k( 258) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0031746 k( 259) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031746 k( 260) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0031746 k( 261) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031746 k( 262) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0031746 k( 263) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031746 k( 264) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0031746 k( 265) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031746 k( 266) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0031746 k( 267) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031746 k( 268) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0031746 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 270) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 271) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0031746 k( 272) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0031746 k( 273) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0031746 k( 274) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0031746 k( 275) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0031746 k( 276) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0031746 k( 277) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 294) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0031746 k( 295) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0031746 k( 296) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 Dense grid: 140689 G-vectors FFT dimensions: ( 60, 60, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.67 Mb ( 996, 44) NL pseudopotentials 0.94 Mb ( 498, 124) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3908) G-vector shells 0.01 Mb ( 1794) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.67 Mb ( 996, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 124, 2, 44) The potential is recalculated from file : ./KLiSe.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.9 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 16.0 secs Computing kpt #: 15 total cpu time spent up to now is 17.1 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 19.2 secs Computing kpt #: 18 total cpu time spent up to now is 20.3 secs Computing kpt #: 19 total cpu time spent up to now is 21.7 secs Computing kpt #: 20 total cpu time spent up to now is 22.8 secs Computing kpt #: 21 total cpu time spent up to now is 23.8 secs Computing kpt #: 22 total cpu time spent up to now is 24.9 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.0 secs Computing kpt #: 25 total cpu time spent up to now is 27.9 secs Computing kpt #: 26 total cpu time spent up to now is 28.8 secs Computing kpt #: 27 total cpu time spent up to now is 29.8 secs Computing kpt #: 28 total cpu time spent up to now is 30.8 secs Computing kpt #: 29 total cpu time spent up to now is 31.7 secs Computing kpt #: 30 total cpu time spent up to now is 32.8 secs Computing kpt #: 31 total cpu time spent up to now is 33.8 secs Computing kpt #: 32 total cpu time spent up to now is 34.9 secs Computing kpt #: 33 total cpu time spent up to now is 35.9 secs Computing kpt #: 34 total cpu time spent up to now is 37.0 secs Computing kpt #: 35 total cpu time spent up to now is 38.0 secs Computing kpt #: 36 total cpu time spent up to now is 39.1 secs Computing kpt #: 37 total cpu time spent up to now is 40.0 secs Computing kpt #: 38 total cpu time spent up to now is 40.9 secs Computing kpt #: 39 total cpu time spent up to now is 41.8 secs Computing kpt #: 40 total cpu time spent up to now is 42.7 secs Computing kpt #: 41 total cpu time spent up to now is 43.6 secs Computing kpt #: 42 total cpu time spent up to now is 44.4 secs Computing kpt #: 43 total cpu time spent up to now is 45.3 secs Computing kpt #: 44 total cpu time spent up to now is 46.2 secs Computing kpt #: 45 total cpu time spent up to now is 47.1 secs Computing kpt #: 46 total cpu time spent up to now is 48.0 secs Computing kpt #: 47 total cpu time spent up to now is 48.9 secs Computing kpt #: 48 total cpu time spent up to now is 49.8 secs Computing kpt #: 49 total cpu time spent up to now is 50.7 secs Computing kpt #: 50 total cpu time spent up to now is 51.6 secs Computing kpt #: 51 total cpu time spent up to now is 52.4 secs Computing kpt #: 52 total cpu time spent up to now is 53.3 secs Computing kpt #: 53 total cpu time spent up to now is 54.1 secs Computing kpt #: 54 total cpu time spent up to now is 54.9 secs Computing kpt #: 55 total cpu time spent up to now is 55.8 secs Computing kpt #: 56 total cpu time spent up to now is 56.6 secs Computing kpt #: 57 total cpu time spent up to now is 57.4 secs Computing kpt #: 58 total cpu time spent up to now is 58.3 secs Computing kpt #: 59 total cpu time spent up to now is 59.1 secs Computing kpt #: 60 total cpu time spent up to now is 59.9 secs Computing kpt #: 61 total cpu time spent up to now is 60.7 secs Computing kpt #: 62 total cpu time spent up to now is 61.5 secs Computing kpt #: 63 total cpu time spent up to now is 62.3 secs Computing kpt #: 64 total cpu time spent up to now is 63.1 secs Computing kpt #: 65 total cpu time spent up to now is 63.9 secs Computing kpt #: 66 total cpu time spent up to now is 64.7 secs Computing kpt #: 67 total cpu time spent up to now is 65.6 secs Computing kpt #: 68 total cpu time spent up to now is 66.4 secs Computing kpt #: 69 total cpu time spent up to now is 67.2 secs Computing kpt #: 70 total cpu time spent up to now is 67.9 secs Computing kpt #: 71 total cpu time spent up to now is 68.7 secs Computing kpt #: 72 total cpu time spent up to now is 69.5 secs Computing kpt #: 73 total cpu time spent up to now is 70.2 secs Computing kpt #: 74 total cpu time spent up to now is 71.1 secs Computing kpt #: 75 total cpu time spent up to now is 71.9 secs Computing kpt #: 76 total cpu time spent up to now is 72.7 secs Computing kpt #: 77 total cpu time spent up to now is 73.5 secs Computing kpt #: 78 total cpu time spent up to now is 74.3 secs Computing kpt #: 79 total cpu time spent up to now is 75.1 secs Computing kpt #: 80 total cpu time spent up to now is 75.9 secs Computing kpt #: 81 total cpu time spent up to now is 76.6 secs Computing kpt #: 82 total cpu time spent up to now is 77.4 secs Computing kpt #: 83 total cpu time spent up to now is 78.2 secs Computing kpt #: 84 total cpu time spent up to now is 79.0 secs Computing kpt #: 85 total cpu time spent up to now is 79.8 secs Computing kpt #: 86 total cpu time spent up to now is 80.6 secs Computing kpt #: 87 total cpu time spent up to now is 81.4 secs Computing kpt #: 88 total cpu time spent up to now is 82.2 secs Computing kpt #: 89 total cpu time spent up to now is 83.1 secs Computing kpt #: 90 total cpu time spent up to now is 83.9 secs Computing kpt #: 91 total cpu time spent up to now is 84.8 secs Computing kpt #: 92 total cpu time spent up to now is 85.7 secs Computing kpt #: 93 total cpu time spent up to now is 86.6 secs Computing kpt #: 94 total cpu time spent up to now is 87.6 secs Computing kpt #: 95 total cpu time spent up to now is 88.6 secs Computing kpt #: 96 total cpu time spent up to now is 89.5 secs Computing kpt #: 97 total cpu time spent up to now is 90.5 secs Computing kpt #: 98 total cpu time spent up to now is 91.5 secs Computing kpt #: 99 total cpu time spent up to now is 92.6 secs Computing kpt #: 100 total cpu time spent up to now is 93.6 secs Computing kpt #: 101 total cpu time spent up to now is 94.6 secs Computing kpt #: 102 total cpu time spent up to now is 95.6 secs Computing kpt #: 103 total cpu time spent up to now is 96.5 secs Computing kpt #: 104 total cpu time spent up to now is 97.6 secs Computing kpt #: 105 total cpu time spent up to now is 98.6 secs Computing kpt #: 106 total cpu time spent up to now is 99.6 secs Computing kpt #: 107 total cpu time spent up to now is 100.7 secs Computing kpt #: 108 total cpu time spent up to now is 101.7 secs Computing kpt #: 109 total cpu time spent up to now is 102.7 secs Computing kpt #: 110 total cpu time spent up to now is 103.8 secs Computing kpt #: 111 total cpu time spent up to now is 105.2 secs Computing kpt #: 112 total cpu time spent up to now is 106.6 secs Computing kpt #: 113 total cpu time spent up to now is 107.7 secs Computing kpt #: 114 total cpu time spent up to now is 108.8 secs Computing kpt #: 115 total cpu time spent up to now is 109.8 secs Computing kpt #: 116 total cpu time spent up to now is 110.9 secs Computing kpt #: 117 total cpu time spent up to now is 111.9 secs Computing kpt #: 118 total cpu time spent up to now is 113.0 secs Computing kpt #: 119 total cpu time spent up to now is 114.0 secs Computing kpt #: 120 total cpu time spent up to now is 115.0 secs Computing kpt #: 121 total cpu time spent up to now is 116.0 secs Computing kpt #: 122 total cpu time spent up to now is 117.0 secs Computing kpt #: 123 total cpu time spent up to now is 118.0 secs Computing kpt #: 124 total cpu time spent up to now is 119.0 secs Computing kpt #: 125 total cpu time spent up to now is 120.0 secs Computing kpt #: 126 total cpu time spent up to now is 121.0 secs Computing kpt #: 127 total cpu time spent up to now is 122.0 secs Computing kpt #: 128 total cpu time spent up to now is 123.0 secs Computing kpt #: 129 total cpu time spent up to now is 124.0 secs Computing kpt #: 130 total cpu time spent up to now is 124.9 secs Computing kpt #: 131 total cpu time spent up to now is 125.9 secs Computing kpt #: 132 total cpu time spent up to now is 126.9 secs Computing kpt #: 133 total cpu time spent up to now is 127.9 secs Computing kpt #: 134 total cpu time spent up to now is 128.8 secs Computing kpt #: 135 total cpu time spent up to now is 129.8 secs Computing kpt #: 136 total cpu time spent up to now is 130.8 secs Computing kpt #: 137 total cpu time spent up to now is 131.8 secs Computing kpt #: 138 total cpu time spent up to now is 132.8 secs Computing kpt #: 139 total cpu time spent up to now is 133.8 secs Computing kpt #: 140 total cpu time spent up to now is 134.8 secs Computing kpt #: 141 total cpu time spent up to now is 135.8 secs Computing kpt #: 142 total cpu time spent up to now is 136.8 secs Computing kpt #: 143 total cpu time spent up to now is 137.8 secs Computing kpt #: 144 total cpu time spent up to now is 138.9 secs Computing kpt #: 145 total cpu time spent up to now is 139.9 secs Computing kpt #: 146 total cpu time spent up to now is 140.9 secs Computing kpt #: 147 total cpu time spent up to now is 141.9 secs Computing kpt #: 148 total cpu time spent up to now is 143.0 secs Computing kpt #: 149 total cpu time spent up to now is 144.0 secs Computing kpt #: 150 total cpu time spent up to now is 144.9 secs Computing kpt #: 151 total cpu time spent up to now is 145.8 secs Computing kpt #: 152 total cpu time spent up to now is 146.7 secs Computing kpt #: 153 total cpu time spent up to now is 147.7 secs Computing kpt #: 154 total cpu time spent up to now is 148.6 secs Computing kpt #: 155 total cpu time spent up to now is 149.5 secs Computing kpt #: 156 total cpu time spent up to now is 150.5 secs Computing kpt #: 157 total cpu time spent up to now is 151.4 secs Computing kpt #: 158 total cpu time spent up to now is 152.3 secs Computing kpt #: 159 total cpu time spent up to now is 153.2 secs Computing kpt #: 160 total cpu time spent up to now is 154.0 secs Computing kpt #: 161 total cpu time spent up to now is 154.9 secs Computing kpt #: 162 total cpu time spent up to now is 155.8 secs Computing kpt #: 163 total cpu time spent up to now is 156.8 secs Computing kpt #: 164 total cpu time spent up to now is 157.9 secs Computing kpt #: 165 total cpu time spent up to now is 158.9 secs Computing kpt #: 166 total cpu time spent up to now is 159.9 secs Computing kpt #: 167 total cpu time spent up to now is 161.0 secs Computing kpt #: 168 total cpu time spent up to now is 162.0 secs Computing kpt #: 169 total cpu time spent up to now is 162.9 secs Computing kpt #: 170 total cpu time spent up to now is 163.8 secs Computing kpt #: 171 total cpu time spent up to now is 164.7 secs Computing kpt #: 172 total cpu time spent up to now is 165.6 secs Computing kpt #: 173 total cpu time spent up to now is 166.5 secs Computing kpt #: 174 total cpu time spent up to now is 167.4 secs Computing kpt #: 175 total cpu time spent up to now is 168.3 secs Computing kpt #: 176 total cpu time spent up to now is 169.1 secs Computing kpt #: 177 total cpu time spent up to now is 170.0 secs Computing kpt #: 178 total cpu time spent up to now is 171.2 secs Computing kpt #: 179 total cpu time spent up to now is 172.3 secs Computing kpt #: 180 total cpu time spent up to now is 173.2 secs Computing kpt #: 181 total cpu time spent up to now is 174.1 secs Computing kpt #: 182 total cpu time spent up to now is 175.0 secs Computing kpt #: 183 total cpu time spent up to now is 175.9 secs Computing kpt #: 184 total cpu time spent up to now is 176.8 secs Computing kpt #: 185 total cpu time spent up to now is 177.7 secs Computing kpt #: 186 total cpu time spent up to now is 178.6 secs Computing kpt #: 187 total cpu time spent up to now is 179.5 secs Computing kpt #: 188 total cpu time spent up to now is 180.4 secs Computing kpt #: 189 total cpu time spent up to now is 181.5 secs Computing kpt #: 190 total cpu time spent up to now is 182.5 secs Computing kpt #: 191 total cpu time spent up to now is 183.6 secs Computing kpt #: 192 total cpu time spent up to now is 184.6 secs Computing kpt #: 193 total cpu time spent up to now is 185.7 secs Computing kpt #: 194 total cpu time spent up to now is 186.7 secs Computing kpt #: 195 total cpu time spent up to now is 187.8 secs Computing kpt #: 196 total cpu time spent up to now is 188.8 secs Computing kpt #: 197 total cpu time spent up to now is 189.7 secs Computing kpt #: 198 total cpu time spent up to now is 190.6 secs Computing kpt #: 199 total cpu time spent up to now is 191.4 secs Computing kpt #: 200 total cpu time spent up to now is 192.3 secs Computing kpt #: 201 total cpu time spent up to now is 193.1 secs Computing kpt #: 202 total cpu time spent up to now is 194.0 secs Computing kpt #: 203 total cpu time spent up to now is 194.8 secs Computing kpt #: 204 total cpu time spent up to now is 195.6 secs Computing kpt #: 205 total cpu time spent up to now is 196.4 secs Computing kpt #: 206 total cpu time spent up to now is 197.3 secs Computing kpt #: 207 total cpu time spent up to now is 198.1 secs Computing kpt #: 208 total cpu time spent up to now is 198.9 secs Computing kpt #: 209 total cpu time spent up to now is 199.7 secs Computing kpt #: 210 total cpu time spent up to now is 200.6 secs Computing kpt #: 211 total cpu time spent up to now is 201.4 secs Computing kpt #: 212 total cpu time spent up to now is 202.2 secs Computing kpt #: 213 total cpu time spent up to now is 203.0 secs Computing kpt #: 214 total cpu time spent up to now is 203.8 secs Computing kpt #: 215 total cpu time spent up to now is 204.7 secs Computing kpt #: 216 total cpu time spent up to now is 205.5 secs Computing kpt #: 217 total cpu time spent up to now is 206.3 secs Computing kpt #: 218 total cpu time spent up to now is 207.0 secs Computing kpt #: 219 total cpu time spent up to now is 207.8 secs Computing kpt #: 220 total cpu time spent up to now is 208.6 secs Computing kpt #: 221 total cpu time spent up to now is 209.4 secs Computing kpt #: 222 total cpu time spent up to now is 210.2 secs Computing kpt #: 223 total cpu time spent up to now is 211.1 secs Computing kpt #: 224 total cpu time spent up to now is 211.9 secs Computing kpt #: 225 total cpu time spent up to now is 212.7 secs Computing kpt #: 226 total cpu time spent up to now is 213.6 secs Computing kpt #: 227 total cpu time spent up to now is 214.4 secs Computing kpt #: 228 total cpu time spent up to now is 215.2 secs Computing kpt #: 229 total cpu time spent up to now is 216.1 secs Computing kpt #: 230 total cpu time spent up to now is 217.0 secs Computing kpt #: 231 total cpu time spent up to now is 217.9 secs Computing kpt #: 232 total cpu time spent up to now is 218.9 secs Computing kpt #: 233 total cpu time spent up to now is 219.8 secs Computing kpt #: 234 total cpu time spent up to now is 220.7 secs Computing kpt #: 235 total cpu time spent up to now is 221.6 secs Computing kpt #: 236 total cpu time spent up to now is 222.6 secs Computing kpt #: 237 total cpu time spent up to now is 223.6 secs Computing kpt #: 238 total cpu time spent up to now is 224.6 secs Computing kpt #: 239 total cpu time spent up to now is 225.7 secs Computing kpt #: 240 total cpu time spent up to now is 226.8 secs Computing kpt #: 241 total cpu time spent up to now is 227.9 secs Computing kpt #: 242 total cpu time spent up to now is 228.9 secs Computing kpt #: 243 total cpu time spent up to now is 230.0 secs Computing kpt #: 244 total cpu time spent up to now is 231.1 secs Computing kpt #: 245 total cpu time spent up to now is 232.1 secs Computing kpt #: 246 total cpu time spent up to now is 233.0 secs Computing kpt #: 247 total cpu time spent up to now is 233.9 secs Computing kpt #: 248 total cpu time spent up to now is 234.8 secs Computing kpt #: 249 total cpu time spent up to now is 235.7 secs Computing kpt #: 250 total cpu time spent up to now is 236.6 secs Computing kpt #: 251 total cpu time spent up to now is 237.5 secs Computing kpt #: 252 total cpu time spent up to now is 238.4 secs Computing kpt #: 253 total cpu time spent up to now is 239.2 secs Computing kpt #: 254 total cpu time spent up to now is 240.1 secs Computing kpt #: 255 total cpu time spent up to now is 241.0 secs Computing kpt #: 256 total cpu time spent up to now is 241.9 secs Computing kpt #: 257 total cpu time spent up to now is 242.7 secs Computing kpt #: 258 total cpu time spent up to now is 243.6 secs Computing kpt #: 259 total cpu time spent up to now is 244.6 secs Computing kpt #: 260 total cpu time spent up to now is 245.5 secs Computing kpt #: 261 total cpu time spent up to now is 246.5 secs Computing kpt #: 262 total cpu time spent up to now is 247.4 secs Computing kpt #: 263 total cpu time spent up to now is 248.4 secs Computing kpt #: 264 total cpu time spent up to now is 249.5 secs Computing kpt #: 265 total cpu time spent up to now is 250.6 secs Computing kpt #: 266 total cpu time spent up to now is 251.6 secs Computing kpt #: 267 total cpu time spent up to now is 252.6 secs Computing kpt #: 268 total cpu time spent up to now is 253.6 secs Computing kpt #: 269 total cpu time spent up to now is 254.7 secs Computing kpt #: 270 total cpu time spent up to now is 255.6 secs Computing kpt #: 271 total cpu time spent up to now is 256.6 secs Computing kpt #: 272 total cpu time spent up to now is 257.7 secs Computing kpt #: 273 total cpu time spent up to now is 258.7 secs Computing kpt #: 274 total cpu time spent up to now is 259.8 secs Computing kpt #: 275 total cpu time spent up to now is 260.8 secs Computing kpt #: 276 total cpu time spent up to now is 261.9 secs Computing kpt #: 277 total cpu time spent up to now is 262.8 secs Computing kpt #: 278 total cpu time spent up to now is 263.7 secs Computing kpt #: 279 total cpu time spent up to now is 264.6 secs Computing kpt #: 280 total cpu time spent up to now is 265.6 secs Computing kpt #: 281 total cpu time spent up to now is 266.5 secs Computing kpt #: 282 total cpu time spent up to now is 267.5 secs Computing kpt #: 283 total cpu time spent up to now is 268.4 secs Computing kpt #: 284 total cpu time spent up to now is 269.3 secs Computing kpt #: 285 total cpu time spent up to now is 270.2 secs Computing kpt #: 286 total cpu time spent up to now is 271.1 secs Computing kpt #: 287 total cpu time spent up to now is 272.0 secs Computing kpt #: 288 total cpu time spent up to now is 272.9 secs Computing kpt #: 289 total cpu time spent up to now is 273.8 secs Computing kpt #: 290 total cpu time spent up to now is 274.7 secs Computing kpt #: 291 total cpu time spent up to now is 275.5 secs Computing kpt #: 292 total cpu time spent up to now is 276.4 secs Computing kpt #: 293 total cpu time spent up to now is 277.2 secs Computing kpt #: 294 total cpu time spent up to now is 277.9 secs Computing kpt #: 295 total cpu time spent up to now is 278.7 secs Computing kpt #: 296 total cpu time spent up to now is 279.5 secs Computing kpt #: 297 total cpu time spent up to now is 280.2 secs Computing kpt #: 298 total cpu time spent up to now is 281.0 secs Computing kpt #: 299 total cpu time spent up to now is 281.8 secs Computing kpt #: 300 total cpu time spent up to now is 282.6 secs Computing kpt #: 301 total cpu time spent up to now is 283.4 secs Computing kpt #: 302 total cpu time spent up to now is 284.1 secs Computing kpt #: 303 total cpu time spent up to now is 284.9 secs Computing kpt #: 304 total cpu time spent up to now is 285.7 secs Computing kpt #: 305 total cpu time spent up to now is 286.5 secs Computing kpt #: 306 total cpu time spent up to now is 287.3 secs Computing kpt #: 307 total cpu time spent up to now is 288.1 secs Computing kpt #: 308 total cpu time spent up to now is 288.9 secs Computing kpt #: 309 total cpu time spent up to now is 289.6 secs Computing kpt #: 310 total cpu time spent up to now is 290.4 secs Computing kpt #: 311 total cpu time spent up to now is 291.2 secs Computing kpt #: 312 total cpu time spent up to now is 292.0 secs Computing kpt #: 313 total cpu time spent up to now is 292.8 secs Computing kpt #: 314 total cpu time spent up to now is 293.6 secs Computing kpt #: 315 total cpu time spent up to now is 294.4 secs ethr = 2.78E-08, avg # of iterations = 19.9 total cpu time spent up to now is 294.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1374 -26.1374 -26.0984 -26.0984 -9.8769 -9.8769 -9.7762 -9.7762 -9.6232 -9.6232 -9.6076 -9.6076 -9.5290 -9.5290 -9.4642 -9.4642 -7.4813 -7.4813 -7.1207 -7.1207 1.7432 1.7432 2.4424 2.4424 2.6171 2.6171 3.0044 3.0044 3.3547 3.3547 3.4835 3.4835 5.9714 5.9714 7.2103 7.2103 7.2197 7.2197 8.3751 8.3751 k = 0.0000 0.0143-0.0000 ( 17587 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8770 -9.8770 -9.7764 -9.7764 -9.6232 -9.6232 -9.6077 -9.6077 -9.5289 -9.5289 -9.4644 -9.4644 -7.4808 -7.4808 -7.1206 -7.1206 1.7438 1.7438 2.4405 2.4405 2.6147 2.6147 3.0054 3.0054 3.3532 3.3532 3.4806 3.4806 5.9769 5.9769 7.2126 7.2126 7.2225 7.2225 8.3784 8.3784 k = 0.0000 0.0286-0.0000 ( 17583 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1373 -26.1373 -26.0985 -26.0985 -9.8772 -9.8772 -9.7770 -9.7770 -9.6229 -9.6229 -9.6081 -9.6081 -9.5286 -9.5286 -9.4649 -9.4649 -7.4793 -7.4793 -7.1203 -7.1203 1.7459 1.7459 2.4345 2.4345 2.6081 2.6081 3.0079 3.0079 3.3485 3.3485 3.4721 3.4721 5.9933 5.9933 7.2186 7.2186 7.2315 7.2315 8.3885 8.3885 k = 0.0000 0.0429-0.0000 ( 17597 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1371 -26.1371 -26.0985 -26.0985 -9.8775 -9.8775 -9.7780 -9.7780 -9.6225 -9.6225 -9.6086 -9.6086 -9.5282 -9.5282 -9.4657 -9.4657 -7.4768 -7.4768 -7.1198 -7.1198 1.7493 1.7493 2.4237 2.4237 2.5992 2.5992 3.0107 3.0107 3.3398 3.3398 3.4597 3.4597 6.0201 6.0201 7.2273 7.2273 7.2474 7.2474 8.4050 8.4050 k = 0.0000 0.0571-0.0000 ( 17591 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1370 -26.1370 -26.0986 -26.0986 -9.8780 -9.8780 -9.7795 -9.7795 -9.6219 -9.6219 -9.6093 -9.6093 -9.5276 -9.5276 -9.4668 -9.4668 -7.4733 -7.4733 -7.1192 -7.1192 1.7540 1.7540 2.4071 2.4071 2.5900 2.5900 3.0121 3.0121 3.3266 3.3266 3.4457 3.4457 6.0565 6.0565 7.2389 7.2389 7.2699 7.2699 8.4279 8.4279 k = 0.0000 0.0714-0.0000 ( 17599 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1367 -26.1367 -26.0988 -26.0988 -9.8785 -9.8785 -9.7813 -9.7813 -9.6212 -9.6212 -9.6103 -9.6103 -9.5268 -9.5268 -9.4681 -9.4681 -7.4688 -7.4688 -7.1183 -7.1183 1.7599 1.7599 2.3839 2.3839 2.5826 2.5826 3.0097 3.0097 3.3085 3.3085 3.4322 3.4322 6.1015 6.1015 7.2534 7.2534 7.2983 7.2983 8.4567 8.4567 k = 0.0000 0.0857-0.0000 ( 17581 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1365 -26.1365 -26.0989 -26.0989 -9.8793 -9.8793 -9.7834 -9.7834 -9.6204 -9.6204 -9.6113 -9.6113 -9.5260 -9.5260 -9.4697 -9.4697 -7.4634 -7.4634 -7.1173 -7.1173 1.7671 1.7671 2.3544 2.3544 2.5780 2.5780 3.0014 3.0014 3.2868 3.2868 3.4206 3.4206 6.1541 6.1541 7.2708 7.2708 7.3318 7.3318 8.4910 8.4910 k = 0.0000 0.1000-0.0000 ( 17573 PWs) bands (ev): -41.3698 -41.3698 -41.3624 -41.3624 -26.1361 -26.1361 -26.0991 -26.0991 -9.8801 -9.8801 -9.7859 -9.7859 -9.6194 -9.6194 -9.6125 -9.6125 -9.5251 -9.5251 -9.4715 -9.4715 -7.4572 -7.4572 -7.1161 -7.1161 1.7753 1.7753 2.3196 2.3196 2.5762 2.5762 2.9846 2.9846 3.2642 3.2642 3.4110 3.4110 6.2133 6.2133 7.2912 7.2912 7.3698 7.3698 8.5300 8.5300 k = 0.0000 0.1143-0.0000 ( 17573 PWs) bands (ev): -41.3698 -41.3698 -41.3625 -41.3625 -26.1358 -26.1358 -26.0993 -26.0993 -9.8811 -9.8811 -9.7886 -9.7886 -9.6184 -9.6184 -9.6138 -9.6138 -9.5241 -9.5241 -9.4734 -9.4734 -7.4500 -7.4500 -7.1149 -7.1149 1.7845 1.7845 2.2806 2.2806 2.5771 2.5771 2.9577 2.9577 3.2434 3.2434 3.4028 3.4028 6.2780 6.2780 7.3145 7.3145 7.4111 7.4111 8.5729 8.5729 k = 0.0000 0.1286-0.0000 ( 17573 PWs) bands (ev): -41.3697 -41.3697 -41.3626 -41.3626 -26.1354 -26.1354 -26.0996 -26.0996 -9.8822 -9.8822 -9.7917 -9.7917 -9.6176 -9.6176 -9.6150 -9.6150 -9.5232 -9.5232 -9.4754 -9.4754 -7.4421 -7.4421 -7.1135 -7.1135 1.7945 1.7945 2.2387 2.2387 2.5801 2.5801 2.9206 2.9206 3.2260 3.2260 3.3955 3.3955 6.3474 6.3474 7.3407 7.3407 7.4548 7.4548 8.6185 8.6185 k = 0.0000 0.1429-0.0000 ( 17575 PWs) bands (ev): -41.3696 -41.3696 -41.3626 -41.3626 -26.1349 -26.1349 -26.0998 -26.0998 -9.8835 -9.8835 -9.7949 -9.7949 -9.6177 -9.6177 -9.6152 -9.6152 -9.5224 -9.5224 -9.4775 -9.4775 -7.4335 -7.4335 -7.1121 -7.1121 1.8049 1.8049 2.1950 2.1950 2.5849 2.5849 2.8748 2.8748 3.2119 3.2119 3.3884 3.3884 6.4205 6.4205 7.3697 7.3697 7.4997 7.4997 8.6654 8.6654 k = 0.0000 0.1571-0.0000 ( 17577 PWs) bands (ev): -41.3696 -41.3696 -41.3627 -41.3627 -26.1344 -26.1344 -26.1001 -26.1001 -9.8848 -9.8848 -9.7984 -9.7984 -9.6189 -9.6189 -9.6143 -9.6143 -9.5216 -9.5216 -9.4795 -9.4795 -7.4241 -7.4241 -7.1106 -7.1106 1.8154 1.8154 2.1506 2.1506 2.5912 2.5912 2.8223 2.8223 3.1999 3.1999 3.3812 3.3812 6.4967 6.4967 7.4013 7.4013 7.5447 7.5447 8.7117 8.7117 k = 0.0000 0.1714-0.0000 ( 17577 PWs) bands (ev): -41.3695 -41.3695 -41.3628 -41.3628 -26.1339 -26.1339 -26.1005 -26.1005 -9.8863 -9.8863 -9.8021 -9.8021 -9.6204 -9.6204 -9.6131 -9.6131 -9.5210 -9.5210 -9.4814 -9.4814 -7.4141 -7.4141 -7.1091 -7.1091 1.8254 1.8254 2.1067 2.1067 2.5988 2.5988 2.7654 2.7654 3.1890 3.1890 3.3735 3.3735 6.5755 6.5755 7.4354 7.4354 7.5884 7.5884 8.7552 8.7552 k = 0.0000 0.1857-0.0000 ( 17577 PWs) bands (ev): -41.3694 -41.3694 -41.3629 -41.3629 -26.1333 -26.1333 -26.1008 -26.1008 -9.8879 -9.8879 -9.8060 -9.8060 -9.6220 -9.6220 -9.6118 -9.6118 -9.5205 -9.5205 -9.4832 -9.4832 -7.4036 -7.4036 -7.1076 -7.1076 1.8338 1.8338 2.0645 2.0645 2.6074 2.6074 2.7063 2.7063 3.1782 3.1782 3.3650 3.3650 6.6563 6.6563 7.4720 7.4720 7.6298 7.6298 8.7933 8.7933 k = 0.0000 0.2000-0.0000 ( 17589 PWs) bands (ev): -41.3693 -41.3693 -41.3630 -41.3630 -26.1327 -26.1327 -26.1012 -26.1012 -9.8896 -9.8896 -9.8100 -9.8100 -9.6235 -9.6235 -9.6106 -9.6106 -9.5202 -9.5202 -9.4849 -9.4849 -7.3925 -7.3925 -7.1063 -7.1063 1.8389 1.8389 2.0259 2.0259 2.6168 2.6168 2.6468 2.6468 3.1671 3.1671 3.3557 3.3557 6.7387 6.7387 7.5108 7.5108 7.6680 7.6680 8.8234 8.8234 k = 0.0000 0.2143-0.0000 ( 17604 PWs) bands (ev): -41.3692 -41.3692 -41.3631 -41.3631 -26.1321 -26.1321 -26.1016 -26.1016 -9.8913 -9.8913 -9.8141 -9.8141 -9.6250 -9.6250 -9.6094 -9.6094 -9.5200 -9.5200 -9.4863 -9.4863 -7.3810 -7.3810 -7.1050 -7.1050 1.8376 1.8376 1.9938 1.9938 2.5874 2.5874 2.6279 2.6279 3.1552 3.1552 3.3453 3.3453 6.8226 6.8226 7.5517 7.5517 7.7024 7.7024 8.8430 8.8430 k = 0.0000 0.2286-0.0000 ( 17598 PWs) bands (ev): -41.3691 -41.3691 -41.3632 -41.3632 -26.1314 -26.1314 -26.1021 -26.1021 -9.8931 -9.8931 -9.8184 -9.8184 -9.6263 -9.6263 -9.6083 -9.6083 -9.5200 -9.5200 -9.4876 -9.4876 -7.3691 -7.3691 -7.1038 -7.1038 1.8266 1.8266 1.9711 1.9711 2.5313 2.5313 2.6391 2.6391 3.1424 3.1424 3.3337 3.3337 6.9076 6.9076 7.5943 7.5943 7.7327 7.7327 8.8508 8.8508 k = 0.0000 0.2429-0.0000 ( 17588 PWs) bands (ev): -41.3689 -41.3689 -41.3633 -41.3633 -26.1307 -26.1307 -26.1025 -26.1025 -9.8949 -9.8949 -9.8228 -9.8228 -9.6276 -9.6276 -9.6073 -9.6073 -9.5201 -9.5201 -9.4886 -9.4886 -7.3569 -7.3569 -7.1028 -7.1028 1.8050 1.8050 1.9580 1.9580 2.4791 2.4791 2.6511 2.6511 3.1284 3.1284 3.3209 3.3209 6.9936 6.9936 7.6383 7.6383 7.7594 7.7594 8.8467 8.8467 k = 0.0000 0.2571-0.0000 ( 17594 PWs) bands (ev): -41.3688 -41.3688 -41.3634 -41.3634 -26.1300 -26.1300 -26.1030 -26.1030 -9.8967 -9.8967 -9.8274 -9.8274 -9.6287 -9.6287 -9.6064 -9.6064 -9.5203 -9.5203 -9.4895 -9.4895 -7.3445 -7.3445 -7.1021 -7.1021 1.7761 1.7761 1.9501 1.9501 2.4328 2.4328 2.6639 2.6639 3.1133 3.1133 3.3069 3.3069 7.0805 7.0805 7.6828 7.6828 7.7836 7.7836 8.8323 8.8323 k = 0.0000 0.2714-0.0000 ( 17614 PWs) bands (ev): -41.3687 -41.3687 -41.3636 -41.3636 -26.1292 -26.1292 -26.1035 -26.1035 -9.8985 -9.8985 -9.8320 -9.8320 -9.6296 -9.6296 -9.6057 -9.6057 -9.5205 -9.5205 -9.4902 -9.4902 -7.3319 -7.3319 -7.1016 -7.1016 1.7438 1.7438 1.9423 1.9423 2.3945 2.3945 2.6773 2.6773 3.0971 3.0971 3.2916 3.2916 7.1680 7.1680 7.7260 7.7260 7.8075 7.8075 8.8091 8.8091 k = 0.0000 0.2857-0.0000 ( 17602 PWs) bands (ev): -41.3686 -41.3686 -41.3637 -41.3637 -26.1284 -26.1284 -26.1041 -26.1041 -9.9001 -9.9001 -9.8366 -9.8366 -9.6304 -9.6304 -9.6052 -9.6052 -9.5207 -9.5207 -9.4909 -9.4909 -7.3192 -7.3192 -7.1013 -7.1013 1.7107 1.7107 1.9306 1.9306 2.3659 2.3659 2.6912 2.6912 3.0796 3.0796 3.2751 3.2751 7.2562 7.2562 7.7641 7.7641 7.8357 7.8357 8.7782 8.7782 k = 0.0000 0.3000-0.0000 ( 17586 PWs) bands (ev): -41.3684 -41.3684 -41.3638 -41.3638 -26.1276 -26.1276 -26.1047 -26.1047 -9.9017 -9.9017 -9.8413 -9.8413 -9.6309 -9.6309 -9.6048 -9.6048 -9.5207 -9.5207 -9.4915 -9.4915 -7.3064 -7.3064 -7.1014 -7.1014 1.6784 1.6784 1.9129 1.9129 2.3482 2.3482 2.7057 2.7057 3.0610 3.0610 3.2576 3.2576 7.3449 7.3449 7.7929 7.7929 7.8731 7.8731 8.7413 8.7413 k = 0.0000 0.3143-0.0000 ( 17600 PWs) bands (ev): -41.3683 -41.3683 -41.3640 -41.3640 -26.1268 -26.1268 -26.1053 -26.1053 -9.9031 -9.9031 -9.8461 -9.8461 -9.6313 -9.6313 -9.6047 -9.6047 -9.5207 -9.5207 -9.4921 -9.4921 -7.2937 -7.2937 -7.1019 -7.1019 1.6477 1.6477 1.8886 1.8886 2.3413 2.3413 2.7207 2.7207 3.0412 3.0412 3.2390 3.2390 7.4341 7.4341 7.8136 7.8136 7.9192 7.9192 8.7000 8.7000 k = 0.0000 0.3286-0.0000 ( 17602 PWs) bands (ev): -41.3681 -41.3681 -41.3641 -41.3641 -26.1259 -26.1259 -26.1059 -26.1059 -9.9043 -9.9043 -9.8509 -9.8509 -9.6314 -9.6314 -9.6049 -9.6049 -9.5204 -9.5204 -9.4928 -9.4928 -7.2811 -7.2811 -7.1028 -7.1028 1.6192 1.6192 1.8589 1.8589 2.3439 2.3439 2.7361 2.7361 3.0203 3.0203 3.2196 3.2196 7.5235 7.5235 7.8302 7.8302 7.9705 7.9705 8.6558 8.6558 k = 0.0000 0.3429-0.0000 ( 17610 PWs) bands (ev): -41.3680 -41.3680 -41.3643 -41.3643 -26.1251 -26.1251 -26.1066 -26.1066 -9.9054 -9.9054 -9.8556 -9.8556 -9.6313 -9.6313 -9.6052 -9.6052 -9.5200 -9.5200 -9.4935 -9.4935 -7.2685 -7.2685 -7.1041 -7.1041 1.5932 1.5932 1.8255 1.8255 2.3544 2.3544 2.7517 2.7517 2.9983 2.9983 3.1995 3.1995 7.6129 7.6129 7.8456 7.8456 8.0246 8.0246 8.6098 8.6098 k = 0.0000 0.3571-0.0000 ( 17606 PWs) bands (ev): -41.3678 -41.3678 -41.3644 -41.3644 -26.1242 -26.1242 -26.1073 -26.1073 -9.9062 -9.9062 -9.8603 -9.8603 -9.6310 -9.6310 -9.6058 -9.6058 -9.5194 -9.5194 -9.4942 -9.4942 -7.2562 -7.2562 -7.1059 -7.1059 1.5699 1.5699 1.7900 1.7900 2.3709 2.3709 2.7675 2.7675 2.9753 2.9753 3.1788 3.1788 7.7021 7.7021 7.8611 7.8611 8.0804 8.0805 8.5631 8.5631 k = 0.0000 0.3714-0.0000 ( 17604 PWs) bands (ev): -41.3676 -41.3676 -41.3646 -41.3646 -26.1233 -26.1233 -26.1080 -26.1080 -9.9068 -9.9068 -9.8649 -9.8649 -9.6305 -9.6305 -9.6065 -9.6065 -9.5186 -9.5186 -9.4950 -9.4950 -7.2441 -7.2441 -7.1081 -7.1081 1.5497 1.5497 1.7539 1.7539 2.3920 2.3920 2.7832 2.7832 2.9516 2.9516 3.1576 3.1576 7.7904 7.7904 7.8779 7.8779 8.1375 8.1375 8.5164 8.5164 k = 0.0000 0.3857-0.0000 ( 17608 PWs) bands (ev): -41.3675 -41.3675 -41.3647 -41.3647 -26.1224 -26.1224 -26.1087 -26.1087 -9.9071 -9.9071 -9.8694 -9.8694 -9.6298 -9.6298 -9.6075 -9.6075 -9.5177 -9.5177 -9.4959 -9.4959 -7.2323 -7.2323 -7.1109 -7.1109 1.5325 1.5325 1.7184 1.7184 2.4164 2.4164 2.7982 2.7982 2.9278 2.9278 3.1362 3.1362 7.8744 7.8744 7.8993 7.8993 8.1953 8.1953 8.4704 8.4704 k = 0.0000 0.4000-0.0000 ( 17608 PWs) bands (ev): -41.3673 -41.3673 -41.3649 -41.3649 -26.1215 -26.1215 -26.1094 -26.1094 -9.9071 -9.9071 -9.8737 -9.8737 -9.6289 -9.6289 -9.6086 -9.6086 -9.5165 -9.5165 -9.4969 -9.4969 -7.2209 -7.2209 -7.1142 -7.1142 1.5187 1.5187 1.6842 1.6842 2.4435 2.4435 2.8108 2.8108 2.9055 2.9055 3.1146 3.1146 7.9118 7.9118 7.9672 7.9672 8.2532 8.2532 8.4262 8.4262 k = 0.0000 0.4143-0.0000 ( 17602 PWs) bands (ev): -41.3671 -41.3671 -41.3651 -41.3651 -26.1206 -26.1206 -26.1102 -26.1102 -9.9068 -9.9068 -9.8779 -9.8779 -9.6279 -9.6279 -9.6099 -9.6099 -9.5153 -9.5153 -9.4980 -9.4980 -7.2099 -7.2099 -7.1181 -7.1181 1.5082 1.5082 1.6521 1.6521 2.4726 2.4726 2.8165 2.8165 2.8894 2.8894 3.0931 3.0931 7.9340 7.9340 8.0485 8.0485 8.3108 8.3108 8.3854 8.3854 k = 0.0000 0.4286-0.0000 ( 17596 PWs) bands (ev): -41.3670 -41.3670 -41.3652 -41.3652 -26.1197 -26.1197 -26.1110 -26.1110 -9.9061 -9.9061 -9.8819 -9.8819 -9.6267 -9.6267 -9.6113 -9.6113 -9.5139 -9.5139 -9.4992 -9.4992 -7.1993 -7.1993 -7.1226 -7.1226 1.5011 1.5011 1.6223 1.6223 2.5030 2.5030 2.8080 2.8080 2.8868 2.8868 3.0715 3.0715 7.9575 7.9575 8.1225 8.1225 8.3509 8.3509 8.3682 8.3682 k = 0.0000 0.4429-0.0000 ( 17592 PWs) bands (ev): -41.3668 -41.3668 -41.3654 -41.3654 -26.1188 -26.1188 -26.1118 -26.1118 -9.9052 -9.9052 -9.8856 -9.8856 -9.6254 -9.6254 -9.6128 -9.6128 -9.5125 -9.5125 -9.5005 -9.5005 -7.1891 -7.1891 -7.1276 -7.1276 1.4975 1.4975 1.5953 1.5953 2.5346 2.5346 2.7866 2.7866 2.8965 2.8965 3.0502 3.0502 7.9829 7.9829 8.1756 8.1756 8.3377 8.3377 8.4212 8.4212 k = 0.0000 0.4571-0.0000 ( 17586 PWs) bands (ev): -41.3666 -41.3666 -41.3656 -41.3656 -26.1179 -26.1179 -26.1126 -26.1126 -9.9039 -9.9039 -9.8892 -9.8892 -9.6240 -9.6240 -9.6144 -9.6144 -9.5110 -9.5110 -9.5018 -9.5018 -7.1795 -7.1795 -7.1332 -7.1332 1.4975 1.4975 1.5712 1.5712 2.5669 2.5669 2.7591 2.7591 2.9117 2.9117 3.0290 3.0290 8.0103 8.0103 8.1863 8.1863 8.3637 8.3637 8.4690 8.4690 k = 0.0000 0.4714-0.0000 ( 17568 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1170 -26.1170 -26.1135 -26.1135 -9.9022 -9.9022 -9.8924 -9.8924 -9.6225 -9.6225 -9.6160 -9.6160 -9.5094 -9.5094 -9.5033 -9.5033 -7.1703 -7.1703 -7.1395 -7.1395 1.5011 1.5011 1.5504 1.5504 2.5996 2.5996 2.7290 2.7290 2.9293 2.9293 3.0081 3.0081 8.0396 8.0396 8.1657 8.1657 8.4161 8.4161 8.5054 8.5054 k = 0.0000 0.4857-0.0000 ( 17576 PWs) bands (ev): -41.3663 -41.3663 -41.3659 -41.3659 -26.1161 -26.1161 -26.1143 -26.1143 -9.9002 -9.9002 -9.8953 -9.8953 -9.6209 -9.6209 -9.6177 -9.6177 -9.5078 -9.5078 -9.5048 -9.5048 -7.1618 -7.1618 -7.1463 -7.1463 1.5081 1.5081 1.5329 1.5329 2.6324 2.6324 2.6975 2.6975 2.9481 2.9481 2.9876 2.9876 8.0705 8.0705 8.1353 8.1353 8.4692 8.4692 8.5210 8.5210 k = 0.0000 0.5000-0.0000 ( 17568 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8979 -9.8979 -9.8979 -9.8979 -9.6193 -9.6193 -9.6193 -9.6193 -9.5063 -9.5063 -9.5063 -9.5063 -7.1537 -7.1537 -7.1537 -7.1537 1.5188 1.5188 1.5188 1.5188 2.6652 2.6652 2.6652 2.6652 2.9676 2.9676 2.9676 2.9676 8.1027 8.1027 8.1027 8.1027 8.5080 8.5080 8.5080 8.5080 k = 0.0000 0.5000-0.0000 ( 17568 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8979 -9.8979 -9.8979 -9.8979 -9.6193 -9.6193 -9.6193 -9.6193 -9.5063 -9.5063 -9.5063 -9.5063 -7.1537 -7.1537 -7.1537 -7.1537 1.5188 1.5188 1.5188 1.5188 2.6652 2.6652 2.6652 2.6652 2.9676 2.9676 2.9676 2.9676 8.1027 8.1027 8.1027 8.1027 8.5080 8.5080 8.5080 8.5080 k = 0.0143 0.5000-0.0000 ( 17586 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8986 -9.8986 -9.8971 -9.8971 -9.6225 -9.6225 -9.6162 -9.6162 -9.5088 -9.5088 -9.5039 -9.5039 -7.1538 -7.1538 -7.1538 -7.1538 1.5190 1.5190 1.5198 1.5198 2.6626 2.6626 2.6670 2.6670 2.9641 2.9641 2.9673 2.9673 8.0990 8.0990 8.1015 8.1015 8.5082 8.5082 8.5091 8.5091 k = 0.0286 0.5000-0.0000 ( 17582 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8991 -9.8991 -9.8962 -9.8962 -9.6256 -9.6256 -9.6131 -9.6131 -9.5114 -9.5114 -9.5017 -9.5017 -7.1540 -7.1540 -7.1540 -7.1540 1.5206 1.5206 1.5223 1.5223 2.6593 2.6593 2.6682 2.6682 2.9568 2.9568 2.9634 2.9634 8.0900 8.0900 8.0949 8.0949 8.5100 8.5100 8.5113 8.5113 k = 0.0429 0.5000-0.0000 ( 17560 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8994 -9.8994 -9.8951 -9.8951 -9.6288 -9.6288 -9.6101 -9.6101 -9.5142 -9.5142 -9.4996 -9.4996 -7.1543 -7.1543 -7.1543 -7.1543 1.5235 1.5235 1.5260 1.5260 2.6550 2.6550 2.6688 2.6688 2.9458 2.9458 2.9561 2.9561 8.0754 8.0754 8.0820 8.0820 8.5134 8.5134 8.5143 8.5143 k = 0.0571 0.5000-0.0000 ( 17572 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1151 -26.1151 -26.1151 -26.1151 -9.8996 -9.8996 -9.8938 -9.8938 -9.6320 -9.6320 -9.6071 -9.6071 -9.5170 -9.5170 -9.4977 -9.4977 -7.1547 -7.1547 -7.1547 -7.1547 1.5277 1.5277 1.5311 1.5311 2.6497 2.6497 2.6688 2.6688 2.9312 2.9312 2.9457 2.9457 8.0545 8.0545 8.0622 8.0622 8.5172 8.5172 8.5176 8.5176 k = 0.0714 0.5000-0.0000 ( 17574 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1151 -26.1151 -26.1151 -26.1151 -9.8996 -9.8996 -9.8924 -9.8924 -9.6352 -9.6352 -9.6042 -9.6042 -9.5200 -9.5200 -9.4960 -9.4960 -7.1553 -7.1553 -7.1552 -7.1552 1.5331 1.5331 1.5374 1.5374 2.6430 2.6430 2.6683 2.6683 2.9133 2.9133 2.9326 2.9326 8.0273 8.0273 8.0356 8.0356 8.5186 8.5186 8.5210 8.5210 k = 0.0857 0.5000-0.0000 ( 17554 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1150 -26.1150 -26.1150 -26.1150 -9.8995 -9.8995 -9.8909 -9.8909 -9.6383 -9.6383 -9.6013 -9.6013 -9.5231 -9.5231 -9.4944 -9.4944 -7.1559 -7.1559 -7.1558 -7.1558 1.5397 1.5397 1.5450 1.5450 2.6349 2.6349 2.6672 2.6672 2.8923 2.8923 2.9175 2.9175 7.9944 7.9944 8.0026 8.0026 8.5168 8.5168 8.5211 8.5211 k = 0.1000 0.5000-0.0000 ( 17554 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1150 -26.1150 -26.1150 -26.1150 -9.8992 -9.8992 -9.8894 -9.8894 -9.6414 -9.6414 -9.5985 -9.5985 -9.5262 -9.5262 -9.4930 -9.4930 -7.1566 -7.1566 -7.1566 -7.1566 1.5474 1.5474 1.5538 1.5538 2.6250 2.6250 2.6655 2.6655 2.8687 2.8687 2.9008 2.9008 7.9567 7.9567 7.9647 7.9647 8.5110 8.5110 8.5166 8.5166 k = 0.1143 0.5000-0.0000 ( 17546 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1149 -26.1149 -26.1149 -26.1149 -9.8989 -9.8989 -9.8877 -9.8877 -9.6444 -9.6444 -9.5958 -9.5958 -9.5295 -9.5295 -9.4918 -9.4918 -7.1575 -7.1575 -7.1574 -7.1574 1.5561 1.5561 1.5637 1.5637 2.6130 2.6130 2.6631 2.6631 2.8429 2.8429 2.8832 2.8832 7.9156 7.9156 7.9230 7.9230 8.5011 8.5011 8.5072 8.5072 k = 0.1286 0.5000-0.0000 ( 17558 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1148 -26.1148 -26.1148 -26.1148 -9.8984 -9.8984 -9.8859 -9.8859 -9.6472 -9.6472 -9.5931 -9.5931 -9.5327 -9.5327 -9.4908 -9.4908 -7.1584 -7.1584 -7.1584 -7.1584 1.5658 1.5658 1.5747 1.5747 2.5987 2.5987 2.6598 2.6598 2.8153 2.8153 2.8652 2.8652 7.8723 7.8723 7.8791 7.8791 8.4874 8.4874 8.4937 8.4937 k = 0.1429 0.5000-0.0000 ( 17562 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1147 -26.1147 -26.1147 -26.1147 -9.8978 -9.8978 -9.8842 -9.8842 -9.6500 -9.6500 -9.5905 -9.5905 -9.5361 -9.5361 -9.4899 -9.4899 -7.1595 -7.1595 -7.1594 -7.1594 1.5763 1.5763 1.5866 1.5866 2.5820 2.5820 2.6555 2.6555 2.7868 2.7868 2.8476 2.8476 7.8278 7.8278 7.8340 7.8340 8.4705 8.4705 8.4766 8.4766 k = 0.1571 0.5000-0.0000 ( 17588 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1146 -26.1146 -26.1146 -26.1146 -9.8971 -9.8971 -9.8824 -9.8824 -9.6526 -9.6526 -9.5879 -9.5879 -9.5394 -9.5394 -9.4892 -9.4892 -7.1606 -7.1606 -7.1605 -7.1605 1.5875 1.5875 1.5994 1.5994 2.5628 2.5628 2.6497 2.6497 2.7581 2.7581 2.8307 2.8307 7.7833 7.7833 7.7887 7.7887 8.4507 8.4507 8.4565 8.4565 k = 0.1714 0.5000-0.0000 ( 17598 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1145 -26.1145 -26.1145 -26.1145 -9.8964 -9.8964 -9.8806 -9.8806 -9.6550 -9.6550 -9.5854 -9.5854 -9.5428 -9.5428 -9.4887 -9.4887 -7.1618 -7.1618 -7.1617 -7.1617 1.5994 1.5994 1.6129 1.6129 2.5412 2.5412 2.6417 2.6417 2.7303 2.7303 2.8148 2.8148 7.7393 7.7393 7.7441 7.7441 8.4282 8.4282 8.4336 8.4336 k = 0.1857 0.5000-0.0000 ( 17596 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1144 -26.1144 -26.1144 -26.1144 -9.8956 -9.8956 -9.8789 -9.8789 -9.6571 -9.6571 -9.5830 -9.5830 -9.5461 -9.5461 -9.4883 -9.4883 -7.1630 -7.1630 -7.1629 -7.1629 1.6116 1.6116 1.6270 1.6270 2.5175 2.5175 2.6300 2.6300 2.7053 2.7053 2.8000 2.8000 7.6966 7.6966 7.7007 7.7007 8.4033 8.4033 8.4083 8.4083 k = 0.2000 0.5000-0.0000 ( 17598 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1143 -26.1143 -26.1143 -26.1143 -9.8947 -9.8947 -9.8772 -9.8772 -9.6591 -9.6591 -9.5806 -9.5806 -9.5494 -9.5494 -9.4881 -9.4881 -7.1643 -7.1643 -7.1642 -7.1642 1.6242 1.6242 1.6415 1.6415 2.4922 2.4922 2.6134 2.6134 2.6849 2.6849 2.7862 2.7862 7.6555 7.6555 7.6589 7.6589 8.3759 8.3759 8.3806 8.3806 k = 0.2143 0.5000-0.0000 ( 17610 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1142 -26.1142 -26.1142 -26.1142 -9.8938 -9.8938 -9.8756 -9.8756 -9.6607 -9.6607 -9.5784 -9.5784 -9.5527 -9.5527 -9.4882 -9.4882 -7.1656 -7.1656 -7.1655 -7.1655 1.6368 1.6368 1.6563 1.6563 2.4658 2.4658 2.5917 2.5917 2.6695 2.6695 2.7735 2.7735 7.6166 7.6166 7.6193 7.6193 8.3463 8.3463 8.3507 8.3507 k = 0.2286 0.5000-0.0000 ( 17612 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1141 -26.1141 -26.1141 -26.1141 -9.8929 -9.8929 -9.8742 -9.8742 -9.6621 -9.6621 -9.5764 -9.5764 -9.5557 -9.5557 -9.4883 -9.4883 -7.1670 -7.1670 -7.1669 -7.1669 1.6494 1.6494 1.6712 1.6712 2.4389 2.4389 2.5668 2.5668 2.6576 2.6576 2.7614 2.7614 7.5800 7.5800 7.5822 7.5822 8.3146 8.3146 8.3187 8.3187 k = 0.2429 0.5000-0.0000 ( 17636 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1140 -26.1140 -26.1140 -26.1140 -9.8920 -9.8920 -9.8729 -9.8729 -9.6631 -9.6631 -9.5748 -9.5748 -9.5583 -9.5583 -9.4887 -9.4887 -7.1684 -7.1684 -7.1683 -7.1683 1.6618 1.6618 1.6859 1.6859 2.4122 2.4122 2.5409 2.5409 2.6475 2.6475 2.7499 2.7499 7.5461 7.5461 7.5477 7.5477 8.2809 8.2809 8.2848 8.2848 k = 0.2571 0.5000-0.0000 ( 17636 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1139 -26.1139 -26.1139 -26.1139 -9.8910 -9.8910 -9.8717 -9.8717 -9.6638 -9.6638 -9.5739 -9.5739 -9.5602 -9.5602 -9.4892 -9.4892 -7.1698 -7.1698 -7.1697 -7.1697 1.6736 1.6736 1.7002 1.7002 2.3862 2.3862 2.5154 2.5154 2.6382 2.6382 2.7387 2.7387 7.5151 7.5151 7.5160 7.5160 8.2455 8.2455 8.2492 8.2492 k = 0.2714 0.5000-0.0000 ( 17624 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1138 -26.1138 -26.1138 -26.1138 -9.8901 -9.8901 -9.8707 -9.8707 -9.6642 -9.6642 -9.5743 -9.5743 -9.5608 -9.5608 -9.4899 -9.4899 -7.1712 -7.1712 -7.1711 -7.1711 1.6848 1.6848 1.7138 1.7138 2.3616 2.3616 2.4912 2.4912 2.6289 2.6289 2.7276 2.7276 7.4871 7.4871 7.4875 7.4875 8.2085 8.2085 8.2121 8.2121 k = 0.2857 0.5000-0.0000 ( 17616 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1137 -26.1137 -26.1137 -26.1137 -9.8892 -9.8892 -9.8699 -9.8699 -9.6642 -9.6642 -9.5760 -9.5760 -9.5601 -9.5601 -9.4908 -9.4908 -7.1726 -7.1726 -7.1725 -7.1725 1.6952 1.6952 1.7264 1.7264 2.3389 2.3389 2.4690 2.4690 2.6195 2.6195 2.7165 2.7165 7.4620 7.4620 7.4622 7.4622 8.1703 8.1703 8.1739 8.1739 k = 0.3000 0.5000-0.0000 ( 17618 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1135 -26.1135 -26.1135 -26.1135 -9.8882 -9.8882 -9.8693 -9.8693 -9.6638 -9.6638 -9.5786 -9.5786 -9.5585 -9.5585 -9.4919 -9.4919 -7.1740 -7.1740 -7.1739 -7.1739 1.7045 1.7045 1.7378 1.7378 2.3187 2.3187 2.4491 2.4491 2.6098 2.6098 2.7052 2.7052 7.4398 7.4398 7.4405 7.4405 8.1311 8.1311 8.1346 8.1346 k = 0.3143 0.5000-0.0000 ( 17626 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1134 -26.1134 -26.1134 -26.1134 -9.8873 -9.8873 -9.8689 -9.8689 -9.6630 -9.6630 -9.5816 -9.5816 -9.5564 -9.5564 -9.4931 -9.4931 -7.1753 -7.1753 -7.1752 -7.1752 1.7126 1.7126 1.7475 1.7475 2.3015 2.3015 2.4319 2.4319 2.5997 2.5997 2.6937 2.6937 7.4209 7.4209 7.4220 7.4220 8.0912 8.0912 8.0947 8.0947 k = 0.3286 0.5000-0.0000 ( 17626 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1133 -26.1133 -26.1133 -26.1133 -9.8864 -9.8864 -9.8687 -9.8687 -9.6619 -9.6619 -9.5849 -9.5849 -9.5541 -9.5541 -9.4944 -9.4944 -7.1766 -7.1766 -7.1765 -7.1765 1.7195 1.7195 1.7555 1.7555 2.2875 2.2875 2.4176 2.4176 2.5892 2.5892 2.6820 2.6820 7.4053 7.4053 7.4068 7.4068 8.0510 8.0510 8.0545 8.0545 k = 0.3429 0.5000-0.0000 ( 17632 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1132 -26.1132 -26.1132 -26.1132 -9.8855 -9.8855 -9.8687 -9.8687 -9.6605 -9.6605 -9.5883 -9.5883 -9.5516 -9.5516 -9.4959 -9.4959 -7.1778 -7.1778 -7.1778 -7.1778 1.7251 1.7251 1.7615 1.7615 2.2772 2.2772 2.4061 2.4061 2.5784 2.5784 2.6698 2.6698 7.3929 7.3929 7.3948 7.3948 8.0108 8.0108 8.0143 8.0143 k = 0.3571 0.5000-0.0000 ( 17634 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1131 -26.1131 -26.1131 -26.1131 -9.8847 -9.8847 -9.8689 -9.8689 -9.6587 -9.6587 -9.5918 -9.5918 -9.5490 -9.5490 -9.4976 -9.4976 -7.1790 -7.1790 -7.1789 -7.1789 1.7295 1.7295 1.7654 1.7654 2.2705 2.2705 2.3974 2.3974 2.5674 2.5674 2.6573 2.6573 7.3837 7.3837 7.3859 7.3859 7.9709 7.9709 7.9744 7.9744 k = 0.3714 0.5000-0.0000 ( 17634 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1131 -26.1131 -26.1131 -26.1131 -9.8838 -9.8838 -9.8692 -9.8692 -9.6566 -9.6566 -9.5953 -9.5953 -9.5463 -9.5463 -9.4994 -9.4994 -7.1801 -7.1801 -7.1800 -7.1800 1.7327 1.7327 1.7673 1.7673 2.2676 2.2676 2.3913 2.3913 2.5564 2.5564 2.6445 2.6445 7.3775 7.3775 7.3800 7.3800 7.9318 7.9318 7.9354 7.9354 k = 0.3857 0.5000-0.0000 ( 17646 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1130 -26.1130 -26.1130 -26.1130 -9.8830 -9.8830 -9.8696 -9.8696 -9.6542 -9.6542 -9.5989 -9.5989 -9.5435 -9.5435 -9.5013 -9.5013 -7.1811 -7.1811 -7.1810 -7.1810 1.7348 1.7348 1.7674 1.7674 2.2682 2.2682 2.3872 2.3872 2.5456 2.5456 2.6313 2.6313 7.3742 7.3742 7.3769 7.3769 7.8940 7.8940 7.8975 7.8975 k = 0.4000 0.5000-0.0000 ( 17644 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1129 -26.1129 -26.1129 -26.1129 -9.8821 -9.8821 -9.8702 -9.8702 -9.6516 -9.6516 -9.6026 -9.6026 -9.5407 -9.5407 -9.5034 -9.5034 -7.1820 -7.1820 -7.1819 -7.1819 1.7363 1.7363 1.7660 1.7660 2.2719 2.2719 2.3848 2.3848 2.5354 2.5354 2.6179 2.6179 7.3736 7.3736 7.3764 7.3764 7.8579 7.8579 7.8613 7.8613 k = 0.4143 0.5000-0.0000 ( 17640 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1128 -26.1128 -26.1128 -26.1128 -9.8813 -9.8813 -9.8708 -9.8708 -9.6487 -9.6487 -9.6062 -9.6062 -9.5379 -9.5379 -9.5056 -9.5056 -7.1828 -7.1828 -7.1828 -7.1828 1.7371 1.7371 1.7635 1.7635 2.2784 2.2784 2.3831 2.3831 2.5265 2.5265 2.6043 2.6043 7.3752 7.3752 7.3781 7.3781 7.8240 7.8240 7.8273 7.8273 k = 0.4286 0.5000-0.0000 ( 17660 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1128 -26.1128 -26.1128 -26.1128 -9.8804 -9.8804 -9.8716 -9.8716 -9.6457 -9.6457 -9.6099 -9.6099 -9.5350 -9.5350 -9.5079 -9.5079 -7.1835 -7.1835 -7.1835 -7.1835 1.7377 1.7377 1.7603 1.7603 2.2871 2.2871 2.3814 2.3814 2.5194 2.5194 2.5906 2.5906 7.3787 7.3787 7.3815 7.3815 7.7931 7.7931 7.7962 7.7962 k = 0.4429 0.5000-0.0000 ( 17660 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8795 -9.8795 -9.8724 -9.8724 -9.6425 -9.6425 -9.6137 -9.6137 -9.5321 -9.5321 -9.5103 -9.5103 -7.1841 -7.1841 -7.1840 -7.1840 1.7382 1.7382 1.7566 1.7566 2.2976 2.2976 2.3784 2.3784 2.5150 2.5150 2.5771 2.5771 7.3834 7.3834 7.3860 7.3860 7.7659 7.7659 7.7686 7.7686 k = 0.4571 0.5000-0.0000 ( 17660 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8786 -9.8786 -9.8733 -9.8733 -9.6391 -9.6391 -9.6174 -9.6174 -9.5293 -9.5293 -9.5128 -9.5128 -7.1845 -7.1845 -7.1845 -7.1845 1.7389 1.7389 1.7529 1.7529 2.3093 2.3093 2.3736 2.3736 2.5138 2.5138 2.5639 2.5639 7.3887 7.3887 7.3908 7.3908 7.7432 7.7432 7.7455 7.7455 k = 0.4714 0.5000-0.0000 ( 17656 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8741 -9.8741 -9.6357 -9.6357 -9.6211 -9.6211 -9.5264 -9.5264 -9.5154 -9.5154 -7.1848 -7.1848 -7.1848 -7.1848 1.7400 1.7400 1.7493 1.7493 2.3217 2.3217 2.3665 2.3665 2.5161 2.5161 2.5514 2.5514 7.3935 7.3935 7.3951 7.3951 7.7261 7.7261 7.7278 7.7278 k = 0.4857 0.5000-0.0000 ( 17644 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8769 -9.8769 -9.8750 -9.8750 -9.6321 -9.6321 -9.6248 -9.6248 -9.5236 -9.5236 -9.5181 -9.5181 -7.1850 -7.1850 -7.1850 -7.1850 1.7415 1.7415 1.7462 1.7462 2.3342 2.3342 2.3572 2.3572 2.5216 2.5216 2.5398 2.5398 7.3971 7.3971 7.3979 7.3979 7.7156 7.7156 7.7164 7.7164 k = 0.5000 0.5000-0.0000 ( 17672 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8759 -9.8759 -9.8759 -9.8759 -9.6285 -9.6285 -9.6285 -9.6285 -9.5208 -9.5208 -9.5208 -9.5208 -7.1851 -7.1851 -7.1851 -7.1851 1.7436 1.7436 1.7436 1.7436 2.3462 2.3462 2.3462 2.3462 2.5297 2.5297 2.5297 2.5297 7.3987 7.3987 7.3987 7.3987 7.7123 7.7123 7.7123 7.7123 k = 0.5000 0.5000-0.0000 ( 17672 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8759 -9.8759 -9.8759 -9.8759 -9.6285 -9.6285 -9.6285 -9.6285 -9.5208 -9.5208 -9.5208 -9.5208 -7.1851 -7.1851 -7.1851 -7.1851 1.7436 1.7436 1.7436 1.7436 2.3462 2.3462 2.3462 2.3462 2.5297 2.5297 2.5297 2.5297 7.3987 7.3987 7.3987 7.3987 7.7123 7.7123 7.7123 7.7123 k = 0.4900 0.4900-0.0000 ( 17642 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1127 -26.1127 -26.1126 -26.1126 -9.8768 -9.8768 -9.8751 -9.8751 -9.6321 -9.6321 -9.6248 -9.6248 -9.5236 -9.5236 -9.5181 -9.5181 -7.1852 -7.1852 -7.1848 -7.1848 1.7415 1.7415 1.7462 1.7462 2.3342 2.3342 2.3572 2.3572 2.5215 2.5215 2.5398 2.5398 7.3931 7.3931 7.4022 7.4022 7.7125 7.7125 7.7193 7.7193 k = 0.4800 0.4800-0.0000 ( 17650 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1128 -26.1128 -26.1126 -26.1126 -9.8777 -9.8777 -9.8742 -9.8742 -9.6356 -9.6356 -9.6212 -9.6212 -9.5264 -9.5264 -9.5155 -9.5155 -7.1856 -7.1856 -7.1841 -7.1841 1.7400 1.7400 1.7494 1.7494 2.3210 2.3210 2.3674 2.3674 2.5153 2.5153 2.5518 2.5518 7.3776 7.3776 7.4124 7.4124 7.7134 7.7134 7.7387 7.7387 k = 0.4700 0.4700-0.0000 ( 17670 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1129 -26.1129 -26.1125 -26.1125 -9.8786 -9.8786 -9.8733 -9.8733 -9.6390 -9.6390 -9.6175 -9.6175 -9.5292 -9.5292 -9.5129 -9.5129 -7.1862 -7.1862 -7.1828 -7.1828 1.7389 1.7389 1.7533 1.7533 2.3066 2.3066 2.3770 2.3770 2.5109 2.5109 2.5656 2.5656 7.3556 7.3556 7.4294 7.4294 7.7148 7.7148 7.7674 7.7674 k = 0.4600 0.4600-0.0000 ( 17670 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1130 -26.1130 -26.1124 -26.1124 -9.8794 -9.8794 -9.8724 -9.8724 -9.6424 -9.6424 -9.6138 -9.6138 -9.5320 -9.5320 -9.5104 -9.5104 -7.1871 -7.1871 -7.1811 -7.1811 1.7383 1.7383 1.7579 1.7579 2.2910 2.2910 2.3864 2.3864 2.5080 2.5080 2.5811 2.5811 7.3300 7.3300 7.4529 7.4529 7.7168 7.7168 7.8025 7.8025 k = 0.4500 0.4500-0.0000 ( 17662 PWs) bands (ev): -41.3662 -41.3662 -41.3660 -41.3660 -26.1133 -26.1133 -26.1123 -26.1123 -9.8802 -9.8802 -9.8716 -9.8716 -9.6457 -9.6457 -9.6101 -9.6101 -9.5348 -9.5348 -9.5080 -9.5080 -7.1883 -7.1883 -7.1789 -7.1789 1.7383 1.7383 1.7633 1.7633 2.2745 2.2745 2.3958 2.3958 2.5063 2.5063 2.5980 2.5980 7.3031 7.3031 7.4826 7.4826 7.7193 7.7193 7.8417 7.8417 k = 0.4400 0.4400-0.0000 ( 17658 PWs) bands (ev): -41.3662 -41.3662 -41.3659 -41.3659 -26.1135 -26.1135 -26.1122 -26.1122 -9.8809 -9.8809 -9.8708 -9.8708 -9.6488 -9.6488 -9.6065 -9.6065 -9.5376 -9.5376 -9.5057 -9.5057 -7.1898 -7.1898 -7.1763 -7.1763 1.7388 1.7388 1.7696 1.7696 2.2573 2.2573 2.4056 2.4056 2.5056 2.5056 2.6164 2.6164 7.2766 7.2766 7.5181 7.5181 7.7224 7.7224 7.8834 7.8834 k = 0.4300 0.4300-0.0000 ( 17638 PWs) bands (ev): -41.3662 -41.3662 -41.3659 -41.3659 -26.1138 -26.1138 -26.1120 -26.1120 -9.8816 -9.8816 -9.8701 -9.8701 -9.6518 -9.6518 -9.6029 -9.6029 -9.5403 -9.5403 -9.5034 -9.5034 -7.1915 -7.1915 -7.1733 -7.1733 1.7400 1.7400 1.7766 1.7766 2.2394 2.2394 2.4158 2.4158 2.5056 2.5056 2.6360 2.6360 7.2515 7.2515 7.5591 7.5591 7.7260 7.7260 7.9268 7.9268 k = 0.4200 0.4200-0.0000 ( 17620 PWs) bands (ev): -41.3663 -41.3663 -41.3658 -41.3658 -26.1142 -26.1142 -26.1118 -26.1118 -9.8822 -9.8822 -9.8694 -9.8694 -9.6546 -9.6546 -9.5994 -9.5994 -9.5430 -9.5430 -9.5013 -9.5013 -7.1935 -7.1935 -7.1699 -7.1699 1.7419 1.7419 1.7845 1.7845 2.2213 2.2213 2.4266 2.4266 2.5059 2.5059 2.6567 2.6567 7.2284 7.2284 7.6049 7.6049 7.7300 7.7300 7.9712 7.9712 k = 0.4100 0.4100-0.0000 ( 17610 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1146 -26.1146 -26.1115 -26.1115 -9.8827 -9.8827 -9.8687 -9.8687 -9.6573 -9.6573 -9.5960 -9.5960 -9.5456 -9.5456 -9.4993 -9.4993 -7.1959 -7.1959 -7.1663 -7.1663 1.7446 1.7446 1.7932 1.7932 2.2030 2.2030 2.4381 2.4381 2.5065 2.5065 2.6786 2.6786 7.2080 7.2080 7.6551 7.6551 7.7346 7.7346 8.0161 8.0161 k = 0.4000 0.4000-0.0000 ( 17624 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1150 -26.1150 -26.1113 -26.1113 -9.8831 -9.8831 -9.8681 -9.8681 -9.6597 -9.6597 -9.5928 -9.5928 -9.5480 -9.5480 -9.4973 -9.4973 -7.1986 -7.1986 -7.1624 -7.1624 1.7483 1.7483 1.8027 1.8027 2.1850 2.1850 2.4501 2.4501 2.5071 2.5071 2.7015 2.7015 7.1907 7.1907 7.7088 7.7088 7.7396 7.7396 8.0613 8.0613 k = 0.3900 0.3900-0.0000 ( 17636 PWs) bands (ev): -41.3665 -41.3665 -41.3656 -41.3656 -26.1155 -26.1155 -26.1110 -26.1110 -9.8835 -9.8835 -9.8675 -9.8675 -9.6620 -9.6620 -9.5897 -9.5897 -9.5502 -9.5502 -9.4955 -9.4955 -7.2016 -7.2016 -7.1583 -7.1583 1.7529 1.7529 1.8131 1.8131 2.1675 2.1675 2.4623 2.4623 2.5082 2.5082 2.7253 2.7253 7.1765 7.1765 7.7445 7.7445 7.7658 7.7658 8.1064 8.1064 k = 0.3800 0.3800-0.0000 ( 17626 PWs) bands (ev): -41.3666 -41.3666 -41.3655 -41.3655 -26.1160 -26.1160 -26.1107 -26.1107 -9.8837 -9.8837 -9.8669 -9.8669 -9.6641 -9.6641 -9.5869 -9.5869 -9.5522 -9.5522 -9.4938 -9.4938 -7.2050 -7.2050 -7.1541 -7.1541 1.7586 1.7586 1.8241 1.8241 2.1507 2.1507 2.4733 2.4733 2.5109 2.5109 2.7501 2.7501 7.1658 7.1658 7.7503 7.7503 7.8244 7.8244 8.1514 8.1514 k = 0.3700 0.3700-0.0000 ( 17622 PWs) bands (ev): -41.3667 -41.3667 -41.3654 -41.3654 -26.1165 -26.1165 -26.1104 -26.1104 -9.8839 -9.8839 -9.8662 -9.8662 -9.6659 -9.6659 -9.5843 -9.5843 -9.5539 -9.5539 -9.4922 -9.4922 -7.2088 -7.2088 -7.1498 -7.1498 1.7654 1.7654 1.8359 1.8359 2.1349 2.1349 2.4808 2.4808 2.5174 2.5174 2.7757 2.7757 7.1586 7.1586 7.7563 7.7563 7.8843 7.8843 8.1960 8.1960 k = 0.3600 0.3600-0.0000 ( 17616 PWs) bands (ev): -41.3668 -41.3668 -41.3654 -41.3654 -26.1171 -26.1171 -26.1101 -26.1101 -9.8841 -9.8841 -9.8655 -9.8655 -9.6674 -9.6674 -9.5821 -9.5821 -9.5553 -9.5553 -9.4907 -9.4907 -7.2130 -7.2130 -7.1454 -7.1454 1.7734 1.7734 1.8483 1.8483 2.1205 2.1205 2.4832 2.4832 2.5294 2.5294 2.8020 2.8020 7.1547 7.1547 7.7624 7.7624 7.9444 7.9444 8.2402 8.2402 k = 0.3500 0.3500-0.0000 ( 17600 PWs) bands (ev): -41.3669 -41.3669 -41.3653 -41.3653 -26.1177 -26.1177 -26.1097 -26.1097 -9.8842 -9.8842 -9.8648 -9.8648 -9.6687 -9.6687 -9.5805 -9.5805 -9.5561 -9.5561 -9.4893 -9.4893 -7.2176 -7.2176 -7.1411 -7.1411 1.7825 1.7825 1.8612 1.8612 2.1078 2.1078 2.4817 2.4817 2.5455 2.5455 2.8290 2.8290 7.1541 7.1541 7.7685 7.7685 8.0039 8.0039 8.2839 8.2839 k = 0.3400 0.3400-0.0000 ( 17572 PWs) bands (ev): -41.3670 -41.3670 -41.3652 -41.3652 -26.1184 -26.1184 -26.1093 -26.1093 -9.8843 -9.8843 -9.8639 -9.8639 -9.6696 -9.6696 -9.5794 -9.5794 -9.5562 -9.5562 -9.4881 -9.4881 -7.2226 -7.2226 -7.1368 -7.1368 1.7925 1.7925 1.8745 1.8745 2.0972 2.0972 2.4780 2.4780 2.5642 2.5642 2.8566 2.8566 7.1564 7.1564 7.7747 7.7747 8.0616 8.0616 8.3271 8.3271 k = 0.3300 0.3300-0.0000 ( 17568 PWs) bands (ev): -41.3671 -41.3671 -41.3650 -41.3650 -26.1190 -26.1190 -26.1089 -26.1089 -9.8844 -9.8844 -9.8629 -9.8629 -9.6703 -9.6703 -9.5790 -9.5790 -9.5558 -9.5558 -9.4870 -9.4870 -7.2280 -7.2280 -7.1327 -7.1327 1.8035 1.8035 1.8882 1.8882 2.0889 2.0889 2.4728 2.4728 2.5846 2.5846 2.8846 2.8846 7.1612 7.1612 7.7807 7.7807 8.1168 8.1168 8.3699 8.3699 k = 0.3200 0.3200-0.0000 ( 17576 PWs) bands (ev): -41.3672 -41.3672 -41.3649 -41.3649 -26.1197 -26.1197 -26.1085 -26.1085 -9.8845 -9.8845 -9.8616 -9.8616 -9.6707 -9.6707 -9.5792 -9.5792 -9.5548 -9.5548 -9.4860 -9.4860 -7.2339 -7.2339 -7.1287 -7.1287 1.8151 1.8151 1.9020 1.9020 2.0835 2.0835 2.4668 2.4668 2.6066 2.6066 2.9130 2.9130 7.1680 7.1680 7.7864 7.7864 8.1686 8.1686 8.4122 8.4122 k = 0.3100 0.3100-0.0000 ( 17574 PWs) bands (ev): -41.3673 -41.3673 -41.3648 -41.3648 -26.1204 -26.1204 -26.1081 -26.1081 -9.8847 -9.8847 -9.8602 -9.8602 -9.6708 -9.6708 -9.5798 -9.5798 -9.5533 -9.5533 -9.4851 -9.4851 -7.2402 -7.2402 -7.1249 -7.1249 1.8271 1.8271 1.9159 1.9159 2.0813 2.0813 2.4602 2.4602 2.6298 2.6298 2.9416 2.9416 7.1761 7.1761 7.7916 7.7916 8.2163 8.2163 8.4543 8.4543 k = 0.3000 0.3000-0.0000 ( 17572 PWs) bands (ev): -41.3674 -41.3674 -41.3647 -41.3647 -26.1212 -26.1212 -26.1077 -26.1077 -9.8850 -9.8850 -9.8585 -9.8585 -9.6705 -9.6705 -9.5808 -9.5808 -9.5515 -9.5515 -9.4843 -9.4843 -7.2469 -7.2469 -7.1213 -7.1213 1.8391 1.8391 1.9298 1.9298 2.0826 2.0826 2.4536 2.4536 2.6541 2.6541 2.9703 2.9703 7.1847 7.1847 7.7961 7.7961 8.2595 8.2595 8.4963 8.4963 k = 0.2900 0.2900-0.0000 ( 17594 PWs) bands (ev): -41.3675 -41.3675 -41.3646 -41.3646 -26.1219 -26.1219 -26.1073 -26.1073 -9.8853 -9.8853 -9.8565 -9.8565 -9.6700 -9.6700 -9.5820 -9.5820 -9.5495 -9.5495 -9.4837 -9.4837 -7.2541 -7.2541 -7.1181 -7.1181 1.8505 1.8505 1.9438 1.9438 2.0875 2.0875 2.4473 2.4473 2.6795 2.6795 2.9989 2.9989 7.1928 7.1928 7.7997 7.7997 8.2979 8.2979 8.5385 8.5385 k = 0.2800 0.2800-0.0000 ( 17578 PWs) bands (ev): -41.3677 -41.3677 -41.3645 -41.3645 -26.1227 -26.1227 -26.1068 -26.1068 -9.8856 -9.8856 -9.8543 -9.8543 -9.6691 -9.6691 -9.5833 -9.5833 -9.5473 -9.5473 -9.4832 -9.4832 -7.2617 -7.2617 -7.1151 -7.1151 1.8611 1.8611 1.9580 1.9580 2.0960 2.0960 2.4420 2.4420 2.7060 2.7060 3.0272 3.0272 7.1994 7.1994 7.8021 7.8021 8.3316 8.3316 8.5814 8.5814 k = 0.2700 0.2700-0.0000 ( 17578 PWs) bands (ev): -41.3678 -41.3678 -41.3644 -41.3644 -26.1234 -26.1234 -26.1064 -26.1064 -9.8860 -9.8860 -9.8518 -9.8518 -9.6679 -9.6679 -9.5846 -9.5846 -9.5451 -9.5451 -9.4829 -9.4829 -7.2698 -7.2698 -7.1124 -7.1124 1.8705 1.8705 1.9725 1.9725 2.1078 2.1078 2.4383 2.4383 2.7333 2.7333 3.0551 3.0551 7.2034 7.2034 7.8031 7.8031 8.3609 8.3609 8.6252 8.6252 k = 0.2600 0.2600-0.0000 ( 17572 PWs) bands (ev): -41.3679 -41.3679 -41.3643 -41.3643 -26.1242 -26.1242 -26.1059 -26.1059 -9.8864 -9.8864 -9.8492 -9.8492 -9.6665 -9.6665 -9.5861 -9.5861 -9.5429 -9.5429 -9.4826 -9.4826 -7.2782 -7.2782 -7.1101 -7.1101 1.8786 1.8786 1.9873 1.9873 2.1225 2.1225 2.4371 2.4371 2.7614 2.7614 3.0823 3.0823 7.2036 7.2036 7.8023 7.8023 8.3861 8.3861 8.6707 8.6707 k = 0.2500 0.2500-0.0000 ( 17553 PWs) bands (ev): -41.3680 -41.3680 -41.3641 -41.3641 -26.1250 -26.1250 -26.1055 -26.1055 -9.8868 -9.8868 -9.8463 -9.8463 -9.6648 -9.6648 -9.5875 -9.5875 -9.5406 -9.5406 -9.4825 -9.4825 -7.2871 -7.2871 -7.1082 -7.1082 1.8853 1.8853 2.0021 2.0021 2.1395 2.1395 2.4390 2.4390 2.7902 2.7902 3.1088 3.1088 7.1988 7.1988 7.7994 7.7994 8.4076 8.4076 8.7177 8.7177 k = 0.2400 0.2400-0.0000 ( 17575 PWs) bands (ev): -41.3682 -41.3682 -41.3640 -41.3640 -26.1258 -26.1258 -26.1050 -26.1050 -9.8871 -9.8871 -9.8432 -9.8432 -9.6629 -9.6629 -9.5890 -9.5890 -9.5384 -9.5384 -9.4825 -9.4825 -7.2963 -7.2963 -7.1065 -7.1065 1.8906 1.8906 2.0169 2.0169 2.1584 2.1584 2.4451 2.4451 2.8197 2.8197 3.1342 3.1342 7.1881 7.1881 7.7939 7.7939 8.4254 8.4254 8.7275 8.7275 k = 0.2300 0.2300-0.0000 ( 17589 PWs) bands (ev): -41.3683 -41.3683 -41.3639 -41.3639 -26.1265 -26.1265 -26.1046 -26.1046 -9.8873 -9.8873 -9.8399 -9.8399 -9.6607 -9.6607 -9.5905 -9.5905 -9.5362 -9.5362 -9.4826 -9.4826 -7.3058 -7.3058 -7.1053 -7.1053 1.8946 1.8946 2.0313 2.0313 2.1785 2.1785 2.4559 2.4559 2.8497 2.8497 3.1584 3.1584 7.1707 7.1707 7.7857 7.7857 8.4371 8.4371 8.6226 8.6226 k = 0.2200 0.2200-0.0000 ( 17585 PWs) bands (ev): -41.3684 -41.3684 -41.3638 -41.3638 -26.1273 -26.1273 -26.1042 -26.1042 -9.8875 -9.8875 -9.8365 -9.8365 -9.6583 -9.6583 -9.5920 -9.5920 -9.5340 -9.5340 -9.4828 -9.4828 -7.3156 -7.3156 -7.1044 -7.1044 1.8970 1.8970 2.0454 2.0454 2.1996 2.1996 2.4721 2.4721 2.8802 2.8802 3.1813 3.1813 7.1460 7.1460 7.7743 7.7743 8.4274 8.4274 8.5382 8.5382 k = 0.2100 0.2100-0.0000 ( 17587 PWs) bands (ev): -41.3685 -41.3685 -41.3637 -41.3637 -26.1281 -26.1281 -26.1037 -26.1037 -9.8876 -9.8876 -9.8330 -9.8330 -9.6557 -9.6557 -9.5935 -9.5935 -9.5319 -9.5319 -9.4830 -9.4830 -7.3256 -7.3256 -7.1038 -7.1038 1.8977 1.8977 2.0595 2.0595 2.2213 2.2213 2.4939 2.4939 2.9110 2.9110 3.2026 3.2026 7.1138 7.1138 7.7595 7.7595 8.3598 8.3598 8.5153 8.5153 k = 0.2000 0.2000-0.0000 ( 17583 PWs) bands (ev): -41.3687 -41.3687 -41.3636 -41.3636 -26.1288 -26.1288 -26.1033 -26.1033 -9.8876 -9.8876 -9.8295 -9.8295 -9.6530 -9.6530 -9.5950 -9.5950 -9.5299 -9.5299 -9.4832 -9.4832 -7.3359 -7.3359 -7.1035 -7.1035 1.8964 1.8964 2.0739 2.0739 2.2434 2.2434 2.5209 2.5209 2.9420 2.9420 3.2222 3.2222 7.0741 7.0741 7.7411 7.7411 8.2649 8.2649 8.5248 8.5248 k = 0.1900 0.1900-0.0000 ( 17591 PWs) bands (ev): -41.3688 -41.3688 -41.3635 -41.3635 -26.1295 -26.1295 -26.1029 -26.1029 -9.8874 -9.8874 -9.8258 -9.8258 -9.6502 -9.6502 -9.5965 -9.5965 -9.5280 -9.5280 -9.4833 -9.4833 -7.3463 -7.3463 -7.1035 -7.1035 1.8931 1.8931 2.0891 2.0891 2.2658 2.2658 2.5529 2.5529 2.9730 2.9730 3.2399 3.2399 7.0273 7.0273 7.7191 7.7191 8.1679 8.1679 8.5422 8.5422 k = 0.1800 0.1800-0.0000 ( 17597 PWs) bands (ev): -41.3689 -41.3689 -41.3633 -41.3633 -26.1303 -26.1303 -26.1025 -26.1025 -9.8872 -9.8872 -9.8221 -9.8221 -9.6473 -9.6473 -9.5980 -9.5980 -9.5263 -9.5263 -9.4834 -9.4834 -7.3568 -7.3568 -7.1038 -7.1038 1.8877 1.8877 2.1056 2.1056 2.2885 2.2885 2.5892 2.5892 3.0040 3.0040 3.2558 3.2558 6.9739 6.9739 7.6935 7.6935 8.0734 8.0734 8.5634 8.5634 k = 0.1700 0.1700-0.0000 ( 17577 PWs) bands (ev): -41.3690 -41.3690 -41.3632 -41.3632 -26.1309 -26.1309 -26.1021 -26.1021 -9.8868 -9.8868 -9.8184 -9.8184 -9.6443 -9.6443 -9.5996 -9.5996 -9.5248 -9.5248 -9.4834 -9.4834 -7.3673 -7.3673 -7.1044 -7.1044 1.8804 1.8804 2.1235 2.1235 2.3113 2.3113 2.6290 2.6290 3.0347 3.0347 3.2697 3.2697 6.9146 6.9146 7.6647 7.6647 7.9829 7.9829 8.5879 8.5879 k = 0.1600 0.1600-0.0000 ( 17591 PWs) bands (ev): -41.3691 -41.3691 -41.3631 -41.3631 -26.1316 -26.1316 -26.1017 -26.1017 -9.8864 -9.8864 -9.8147 -9.8147 -9.6414 -9.6414 -9.6011 -9.6011 -9.5236 -9.5236 -9.4832 -9.4832 -7.3777 -7.3777 -7.1051 -7.1051 1.8715 1.8715 2.1431 2.1431 2.3343 2.3343 2.6714 2.6714 3.0651 3.0651 3.2818 3.2818 6.8504 6.8504 7.6329 7.6329 7.8969 7.8969 8.6154 8.6154 k = 0.1500 0.1500-0.0000 ( 17591 PWs) bands (ev): -41.3692 -41.3692 -41.3630 -41.3630 -26.1323 -26.1323 -26.1013 -26.1013 -9.8858 -9.8858 -9.8110 -9.8110 -9.6384 -9.6384 -9.6026 -9.6026 -9.5226 -9.5226 -9.4827 -9.4827 -7.3881 -7.3881 -7.1061 -7.1061 1.8614 1.8614 2.1643 2.1643 2.3572 2.3572 2.7156 2.7156 3.0948 3.0948 3.2922 3.2922 6.7820 6.7820 7.5986 7.5986 7.8155 7.8155 8.6462 8.6462 k = 0.1400 0.1400-0.0000 ( 17615 PWs) bands (ev): -41.3693 -41.3693 -41.3629 -41.3629 -26.1329 -26.1329 -26.1010 -26.1010 -9.8852 -9.8852 -9.8074 -9.8074 -9.6355 -9.6355 -9.6041 -9.6041 -9.5220 -9.5220 -9.4820 -9.4820 -7.3982 -7.3982 -7.1072 -7.1072 1.8504 1.8504 2.1869 2.1869 2.3800 2.3800 2.7607 2.7607 3.1238 3.1238 3.3011 3.3011 6.7106 6.7106 7.5626 7.5626 7.7391 7.7391 8.6800 8.6800 k = 0.1300 0.1300-0.0000 ( 17613 PWs) bands (ev): -41.3694 -41.3694 -41.3629 -41.3629 -26.1335 -26.1335 -26.1006 -26.1006 -9.8845 -9.8845 -9.8039 -9.8039 -9.6327 -9.6327 -9.6055 -9.6055 -9.5218 -9.5218 -9.4810 -9.4810 -7.4082 -7.4082 -7.1084 -7.1084 1.8390 1.8390 2.2107 2.2107 2.4026 2.4026 2.8056 2.8056 3.1519 3.1519 3.3091 3.3091 6.6371 6.6371 7.5254 7.5254 7.6677 7.6677 8.7171 8.7171 k = 0.1200 0.1200-0.0000 ( 17609 PWs) bands (ev): -41.3695 -41.3695 -41.3628 -41.3628 -26.1340 -26.1340 -26.1003 -26.1003 -9.8837 -9.8837 -9.8004 -9.8004 -9.6301 -9.6301 -9.6069 -9.6069 -9.5218 -9.5218 -9.4797 -9.4797 -7.4177 -7.4177 -7.1097 -7.1097 1.8273 1.8273 2.2355 2.2355 2.4249 2.4249 2.8492 2.8492 3.1787 3.1787 3.3168 3.3168 6.5625 6.5625 7.4878 7.4878 7.6014 7.6014 8.7570 8.7570 k = 0.1100 0.1100-0.0000 ( 17611 PWs) bands (ev): -41.3696 -41.3696 -41.3627 -41.3627 -26.1345 -26.1345 -26.1000 -26.1000 -9.8829 -9.8829 -9.7971 -9.7971 -9.6277 -9.6277 -9.6082 -9.6082 -9.5221 -9.5221 -9.4782 -9.4782 -7.4269 -7.4269 -7.1111 -7.1111 1.8157 1.8157 2.2608 2.2608 2.4468 2.4468 2.8901 2.8901 3.2040 3.2040 3.3249 3.3249 6.4879 6.4879 7.4505 7.4505 7.5404 7.5404 8.7532 8.7532 k = 0.1000 0.1000-0.0000 ( 17613 PWs) bands (ev): -41.3697 -41.3697 -41.3626 -41.3626 -26.1350 -26.1350 -26.0997 -26.0997 -9.8821 -9.8821 -9.7939 -9.7939 -9.6255 -9.6255 -9.6093 -9.6093 -9.5227 -9.5227 -9.4766 -9.4766 -7.4356 -7.4356 -7.1124 -7.1124 1.8045 1.8045 2.2862 2.2862 2.4683 2.4683 2.9268 2.9268 3.2277 3.2277 3.3346 3.3346 6.4143 6.4143 7.4140 7.4140 7.4846 7.4846 8.6904 8.6904 k = 0.0900 0.0900-0.0000 ( 17595 PWs) bands (ev): -41.3697 -41.3697 -41.3625 -41.3625 -26.1354 -26.1354 -26.0995 -26.0995 -9.8812 -9.8812 -9.7909 -9.7909 -9.6237 -9.6237 -9.6102 -9.6102 -9.5234 -9.5234 -9.4748 -9.4748 -7.4437 -7.4437 -7.1138 -7.1138 1.7938 1.7938 2.3114 2.3114 2.4894 2.4894 2.9580 2.9580 3.2496 3.2496 3.3467 3.3467 6.3428 6.3428 7.3792 7.3792 7.4342 7.4342 8.6325 8.6325 k = 0.0800 0.0800-0.0000 ( 17597 PWs) bands (ev): -41.3698 -41.3698 -41.3625 -41.3625 -26.1358 -26.1358 -26.0993 -26.0993 -9.8805 -9.8805 -9.7881 -9.7881 -9.6225 -9.6225 -9.6107 -9.6107 -9.5243 -9.5243 -9.4730 -9.4730 -7.4512 -7.4512 -7.1151 -7.1151 1.7838 1.7838 2.3357 2.3357 2.5099 2.5099 2.9824 2.9824 3.2697 3.2697 3.3618 3.3618 6.2745 6.2745 7.3464 7.3464 7.3891 7.3891 8.5800 8.5800 k = 0.0700 0.0700-0.0000 ( 17595 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1362 -26.1362 -26.0991 -26.0991 -9.8797 -9.8797 -9.7855 -9.7855 -9.6217 -9.6217 -9.6108 -9.6108 -9.5251 -9.5251 -9.4712 -9.4712 -7.4579 -7.4579 -7.1163 -7.1163 1.7747 1.7747 2.3586 2.3586 2.5297 2.5297 2.9994 2.9994 3.2881 3.2881 3.3799 3.3799 6.2104 6.2104 7.3164 7.3164 7.3493 7.3493 8.5330 8.5330 k = 0.0600 0.0600-0.0000 ( 17577 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1365 -26.1365 -26.0989 -26.0989 -9.8790 -9.8790 -9.7832 -9.7832 -9.6216 -9.6216 -9.6105 -9.6105 -9.5260 -9.5260 -9.4695 -9.4695 -7.4639 -7.4639 -7.1174 -7.1174 1.7666 1.7666 2.3796 2.3796 2.5488 2.5488 3.0095 3.0095 3.3047 3.3047 3.4000 3.4000 6.1517 6.1517 7.2894 7.2894 7.3148 7.3148 8.4918 8.4918 k = 0.0500 0.0500-0.0000 ( 17573 PWs) bands (ev): -41.3699 -41.3699 -41.3623 -41.3623 -26.1367 -26.1367 -26.0987 -26.0987 -9.8784 -9.8784 -9.7811 -9.7811 -9.6218 -9.6218 -9.6099 -9.6099 -9.5269 -9.5269 -9.4680 -9.4680 -7.4691 -7.4691 -7.1184 -7.1184 1.7596 1.7596 2.3981 2.3981 2.5667 2.5667 3.0137 3.0137 3.3194 3.3194 3.4209 3.4209 6.0996 6.0996 7.2659 7.2659 7.2857 7.2857 8.4565 8.4565 k = 0.0400 0.0400-0.0000 ( 17583 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1370 -26.1370 -26.0986 -26.0986 -9.8779 -9.8779 -9.7794 -9.7794 -9.6221 -9.6221 -9.6092 -9.6092 -9.5276 -9.5276 -9.4667 -9.4667 -7.4735 -7.4735 -7.1192 -7.1192 1.7538 1.7538 2.4137 2.4137 2.5829 2.5829 3.0137 3.0137 3.3318 3.3318 3.4408 3.4408 6.0551 6.0551 7.2463 7.2463 7.2619 7.2619 8.4274 8.4274 k = 0.0300 0.0300-0.0000 ( 17587 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1371 -26.1371 -26.0985 -26.0985 -9.8775 -9.8775 -9.7780 -9.7780 -9.6226 -9.6226 -9.6085 -9.6085 -9.5282 -9.5282 -9.4656 -9.4656 -7.4769 -7.4769 -7.1199 -7.1199 1.7492 1.7492 2.4261 2.4261 2.5969 2.5969 3.0112 3.0112 3.3417 3.3417 3.4584 3.4584 6.0192 6.0192 7.2307 7.2307 7.2435 7.2435 8.4046 8.4046 k = 0.0200 0.0200-0.0000 ( 17583 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1373 -26.1373 -26.0985 -26.0985 -9.8772 -9.8772 -9.7770 -9.7770 -9.6229 -9.6229 -9.6080 -9.6080 -9.5286 -9.5286 -9.4649 -9.4649 -7.4793 -7.4793 -7.1203 -7.1203 1.7458 1.7458 2.4351 2.4351 2.6078 2.6078 3.0080 3.0080 3.3489 3.3489 3.4720 3.4720 5.9929 5.9929 7.2194 7.2194 7.2303 7.2303 8.3882 8.3882 k = 0.0100 0.0100-0.0000 ( 17585 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8770 -9.8770 -9.7764 -9.7764 -9.6232 -9.6232 -9.6077 -9.6077 -9.5289 -9.5289 -9.4644 -9.4644 -7.4808 -7.4808 -7.1206 -7.1206 1.7438 1.7438 2.4406 2.4406 2.6147 2.6147 3.0054 3.0054 3.3533 3.3533 3.4806 3.4806 5.9768 5.9768 7.2126 7.2126 7.2224 7.2224 8.3784 8.3784 k = 0.0000 0.0000 0.0000 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1374 -26.1374 -26.0984 -26.0984 -9.8769 -9.8769 -9.7762 -9.7762 -9.6232 -9.6232 -9.6076 -9.6076 -9.5290 -9.5290 -9.4642 -9.4642 -7.4813 -7.4813 -7.1207 -7.1207 1.7432 1.7432 2.4424 2.4424 2.6171 2.6171 3.0044 3.0044 3.3547 3.3547 3.4835 3.4835 5.9714 5.9714 7.2103 7.2103 7.2197 7.2197 8.3751 8.3751 k = 0.0000 0.0000 0.0000 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1374 -26.1374 -26.0984 -26.0984 -9.8769 -9.8769 -9.7762 -9.7762 -9.6232 -9.6232 -9.6076 -9.6076 -9.5290 -9.5290 -9.4642 -9.4642 -7.4813 -7.4813 -7.1207 -7.1207 1.7432 1.7432 2.4424 2.4424 2.6171 2.6171 3.0044 3.0044 3.3547 3.3547 3.4835 3.4835 5.9714 5.9714 7.2103 7.2103 7.2197 7.2197 8.3751 8.3751 k = 0.0000 0.0000 0.0142 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1374 -26.1374 -26.0984 -26.0984 -9.8769 -9.8769 -9.7762 -9.7762 -9.6232 -9.6232 -9.6076 -9.6076 -9.5291 -9.5291 -9.4642 -9.4642 -7.4807 -7.4807 -7.1210 -7.1210 1.7432 1.7432 2.4421 2.4421 2.6169 2.6169 3.0022 3.0022 3.3535 3.3535 3.4838 3.4838 5.9771 5.9771 7.2101 7.2101 7.2221 7.2221 8.3754 8.3754 k = 0.0000 0.0000 0.0284 ( 17573 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1374 -26.1374 -26.0984 -26.0984 -9.8769 -9.8769 -9.7765 -9.7765 -9.6232 -9.6232 -9.6076 -9.6076 -9.5294 -9.5294 -9.4642 -9.4642 -7.4790 -7.4790 -7.1219 -7.1219 1.7434 1.7434 2.4414 2.4414 2.6161 2.6161 2.9954 2.9954 3.3499 3.3499 3.4844 3.4844 5.9940 5.9940 7.2095 7.2095 7.2291 7.2291 8.3762 8.3762 k = 0.0000 0.0000 0.0425 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1374 -26.1374 -26.0984 -26.0984 -9.8768 -9.8768 -9.7769 -9.7769 -9.6231 -9.6231 -9.6076 -9.6076 -9.5298 -9.5298 -9.4643 -9.4643 -7.4762 -7.4762 -7.1234 -7.1234 1.7437 1.7437 2.4403 2.4403 2.6150 2.6150 2.9839 2.9839 3.3445 3.3445 3.4853 3.4853 6.0218 6.0218 7.2085 7.2085 7.2407 7.2407 8.3775 8.3775 k = 0.0000 0.0000 0.0567 ( 17589 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8768 -9.8768 -9.7775 -9.7775 -9.6230 -9.6230 -9.6075 -9.6075 -9.5303 -9.5303 -9.4643 -9.4643 -7.4723 -7.4723 -7.1255 -7.1255 1.7442 1.7442 2.4387 2.4387 2.6133 2.6133 2.9676 2.9676 3.3379 3.3379 3.4867 3.4867 6.0599 6.0599 7.2071 7.2071 7.2566 7.2566 8.3794 8.3794 k = 0.0000 0.0000 0.0709 ( 17592 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8767 -9.8767 -9.7782 -9.7782 -9.6228 -9.6228 -9.6075 -9.6075 -9.5310 -9.5310 -9.4643 -9.4643 -7.4674 -7.4674 -7.1282 -7.1282 1.7450 1.7450 2.4367 2.4367 2.6113 2.6113 2.9466 2.9466 3.3308 3.3308 3.4883 3.4883 6.1075 6.1075 7.2054 7.2054 7.2767 7.2767 8.3817 8.3817 k = 0.0000 0.0000 0.0851 ( 17592 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1373 -26.1373 -26.0984 -26.0984 -9.8766 -9.8766 -9.7791 -9.7791 -9.6226 -9.6226 -9.6074 -9.6074 -9.5318 -9.5318 -9.4644 -9.4644 -7.4614 -7.4614 -7.1314 -7.1314 1.7460 1.7460 2.4344 2.4344 2.6089 2.6089 2.9210 2.9210 3.3238 3.3238 3.4903 3.4903 6.1637 6.1637 7.2033 7.2033 7.3006 7.3006 8.3844 8.3844 k = 0.0000 0.0000 0.0992 ( 17584 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1373 -26.1373 -26.0984 -26.0984 -9.8765 -9.8765 -9.7800 -9.7800 -9.6224 -9.6224 -9.6074 -9.6074 -9.5327 -9.5327 -9.4645 -9.4645 -7.4545 -7.4545 -7.1353 -7.1353 1.7475 1.7475 2.4318 2.4318 2.6062 2.6062 2.8912 2.8912 3.3175 3.3175 3.4925 3.4925 6.2275 6.2275 7.2010 7.2010 7.3278 7.3278 8.3875 8.3875 k = 0.0000 0.0000 0.1134 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8763 -9.8763 -9.7811 -9.7811 -9.6222 -9.6222 -9.6073 -9.6073 -9.5338 -9.5338 -9.4645 -9.4645 -7.4467 -7.4467 -7.1397 -7.1397 1.7493 1.7493 2.4290 2.4290 2.6033 2.6033 2.8577 2.8577 3.3120 3.3120 3.4949 3.4949 6.2980 6.2980 7.1985 7.1985 7.3580 7.3580 8.3908 8.3908 k = 0.0000 0.0000 0.1276 ( 17608 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8762 -9.8762 -9.7822 -9.7822 -9.6219 -9.6219 -9.6072 -9.6072 -9.5348 -9.5348 -9.4646 -9.4646 -7.4381 -7.4381 -7.1447 -7.1447 1.7516 1.7516 2.4260 2.4260 2.6002 2.6002 2.8214 2.8214 3.3076 3.3076 3.4974 3.4974 6.3741 6.3741 7.1959 7.1959 7.3906 7.3906 8.3944 8.3944 k = 0.0000 0.0000 0.1418 ( 17596 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1373 -26.1373 -26.0984 -26.0984 -9.8760 -9.8760 -9.7834 -9.7834 -9.6216 -9.6216 -9.6072 -9.6072 -9.5360 -9.5360 -9.4647 -9.4647 -7.4288 -7.4288 -7.1503 -7.1503 1.7545 1.7545 2.4230 2.4230 2.5970 2.5970 2.7829 2.7829 3.3042 3.3042 3.5000 3.5000 6.4548 6.4548 7.1931 7.1931 7.4251 7.4251 8.3981 8.3981 k = 0.0000 0.0000 0.1560 ( 17620 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8758 -9.8758 -9.7847 -9.7847 -9.6214 -9.6214 -9.6071 -9.6071 -9.5371 -9.5371 -9.4647 -9.4647 -7.4189 -7.4189 -7.1564 -7.1564 1.7580 1.7580 2.4199 2.4199 2.5938 2.5938 2.7433 2.7433 3.3016 3.3016 3.5027 3.5027 6.5391 6.5391 7.1903 7.1903 7.4609 7.4609 8.4018 8.4018 k = 0.0000 0.0000 0.1701 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8757 -9.8757 -9.7859 -9.7859 -9.6211 -9.6211 -9.6070 -9.6070 -9.5383 -9.5383 -9.4648 -9.4648 -7.4085 -7.4085 -7.1631 -7.1631 1.7620 1.7620 2.4169 2.4169 2.5906 2.5906 2.7032 2.7032 3.2999 3.2999 3.5053 3.5053 6.6261 6.6261 7.1876 7.1876 7.4974 7.4974 8.4056 8.4056 k = 0.0000 0.0000 0.1843 ( 17624 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8755 -9.8755 -9.7871 -9.7871 -9.6208 -9.6208 -9.6069 -9.6069 -9.5394 -9.5394 -9.4649 -9.4649 -7.3977 -7.3977 -7.1702 -7.1702 1.7666 1.7666 2.4141 2.4141 2.5874 2.5874 2.6637 2.6637 3.2987 3.2987 3.5078 3.5078 6.7145 6.7145 7.1849 7.1849 7.5341 7.5341 8.4092 8.4092 k = 0.0000 0.0000 0.1985 ( 17624 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8753 -9.8753 -9.7883 -9.7883 -9.6205 -9.6205 -9.6069 -9.6069 -9.5405 -9.5405 -9.4649 -9.4649 -7.3866 -7.3866 -7.1778 -7.1778 1.7716 1.7716 2.4114 2.4114 2.5844 2.5844 2.6254 2.6254 3.2981 3.2981 3.5103 3.5103 6.8034 6.8034 7.1823 7.1823 7.5703 7.5703 8.4127 8.4127 k = 0.0000 0.0000 0.2127 ( 17628 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8751 -9.8751 -9.7894 -9.7894 -9.6202 -9.6202 -9.6068 -9.6068 -9.5415 -9.5415 -9.4650 -9.4650 -7.3753 -7.3753 -7.1857 -7.1857 1.7770 1.7770 2.4091 2.4091 2.5817 2.5817 2.5891 2.5891 3.2978 3.2978 3.5125 3.5125 6.8912 6.8912 7.1799 7.1799 7.6055 7.6055 8.4159 8.4159 k = 0.0000 0.0000 0.2268 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3622 -41.3622 -26.1373 -26.1373 -26.0984 -26.0984 -9.8750 -9.8750 -9.7904 -9.7904 -9.6200 -9.6200 -9.6067 -9.6067 -9.5424 -9.5424 -9.4651 -9.4651 -7.3642 -7.3642 -7.1938 -7.1938 1.7826 1.7826 2.4071 2.4071 2.5555 2.5555 2.5791 2.5791 3.2977 3.2977 3.5145 3.5145 6.9763 6.9763 7.1777 7.1777 7.6394 7.6394 8.4188 8.4188 k = 0.0000 0.0000 0.2410 ( 17644 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8748 -9.8748 -9.7913 -9.7913 -9.6198 -9.6198 -9.6067 -9.6067 -9.5432 -9.5432 -9.4651 -9.4651 -7.3533 -7.3533 -7.2020 -7.2020 1.7880 1.7880 2.4057 2.4057 2.5253 2.5253 2.5769 2.5769 3.2978 3.2978 3.5163 3.5163 7.0567 7.0567 7.1758 7.1758 7.6715 7.6715 8.4214 8.4214 k = 0.0000 0.0000 0.2552 ( 17648 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8747 -9.8747 -9.7921 -9.7921 -9.6196 -9.6196 -9.6066 -9.6066 -9.5439 -9.5439 -9.4652 -9.4652 -7.3430 -7.3430 -7.2101 -7.2101 1.7931 1.7931 2.4048 2.4048 2.4990 2.4990 2.5751 2.5751 3.2980 3.2980 3.5178 3.5178 7.1297 7.1297 7.1742 7.1742 7.7015 7.7015 8.4236 8.4236 k = 0.0000 0.0000 0.2694 ( 17640 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8746 -9.8746 -9.7927 -9.7927 -9.6194 -9.6194 -9.6066 -9.6066 -9.5445 -9.5445 -9.4652 -9.4652 -7.3338 -7.3338 -7.2175 -7.2175 1.7975 1.7975 2.4045 2.4045 2.4773 2.4773 2.5736 2.5736 3.2982 3.2982 3.5190 3.5190 7.1729 7.1729 7.1922 7.1922 7.7287 7.7287 8.4253 8.4253 k = 0.0000 0.0000 0.2835 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8745 -9.8745 -9.7932 -9.7932 -9.6193 -9.6193 -9.6066 -9.6066 -9.5449 -9.5449 -9.4652 -9.4652 -7.3262 -7.3262 -7.2238 -7.2238 1.8010 1.8010 2.4049 2.4049 2.4607 2.4607 2.5725 2.5725 3.2984 3.2984 3.5199 3.5199 7.1720 7.1720 7.2406 7.2406 7.7516 7.7516 8.4266 8.4266 k = 0.0000 0.0000 0.2977 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8744 -9.8744 -9.7935 -9.7935 -9.6192 -9.6192 -9.6065 -9.6065 -9.5451 -9.5451 -9.4652 -9.4652 -7.3211 -7.3211 -7.2281 -7.2281 1.8032 1.8032 2.4057 2.4057 2.4501 2.4501 2.5718 2.5718 3.2985 3.2985 3.5204 3.5204 7.1714 7.1714 7.2713 7.2713 7.7675 7.7675 8.3949 8.3949 k = 0.0000 0.0000 0.3119 ( 17620 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8744 -9.8744 -9.7935 -9.7935 -9.6192 -9.6192 -9.6065 -9.6065 -9.5452 -9.5452 -9.4652 -9.4652 -7.3193 -7.3193 -7.2296 -7.2296 1.8039 1.8039 2.4061 2.4061 2.4463 2.4463 2.5716 2.5716 3.2986 3.2986 3.5206 3.5206 7.1712 7.1712 7.2818 7.2818 7.7734 7.7734 8.3807 8.3807 k = 0.0000 0.0000 0.3119 ( 17620 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8744 -9.8744 -9.7935 -9.7935 -9.6192 -9.6192 -9.6065 -9.6065 -9.5452 -9.5452 -9.4652 -9.4652 -7.3193 -7.3193 -7.2296 -7.2296 1.8039 1.8039 2.4061 2.4061 2.4463 2.4463 2.5716 2.5716 3.2986 3.2986 3.5206 3.5206 7.1712 7.1712 7.2818 7.2818 7.7734 7.7734 8.3807 8.3807 k = 0.0000 0.0143 0.3119 ( 17616 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0985 -26.0985 -9.8745 -9.8745 -9.7937 -9.7937 -9.6191 -9.6191 -9.6067 -9.6067 -9.5450 -9.5450 -9.4654 -9.4654 -7.3190 -7.3190 -7.2293 -7.2293 1.8040 1.8040 2.3820 2.3820 2.4594 2.4594 2.5816 2.5816 3.2967 3.2967 3.5184 3.5184 7.1745 7.1745 7.2826 7.2826 7.7775 7.7775 8.3791 8.3791 k = 0.0000 0.0286 0.3119 ( 17608 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1372 -26.1372 -26.0985 -26.0985 -9.8748 -9.8748 -9.7943 -9.7943 -9.6189 -9.6189 -9.6071 -9.6071 -9.5446 -9.5446 -9.4658 -9.4658 -7.3181 -7.3181 -7.2284 -7.2284 1.8041 1.8041 2.3388 2.3388 2.4732 2.4732 2.6081 2.6081 3.2911 3.2911 3.5119 3.5119 7.1843 7.1843 7.2849 7.2849 7.7899 7.7899 8.3738 8.3738 k = 0.0000 0.0429 0.3119 ( 17622 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1371 -26.1371 -26.0986 -26.0986 -9.8753 -9.8753 -9.7952 -9.7952 -9.6186 -9.6186 -9.6078 -9.6078 -9.5438 -9.5438 -9.4665 -9.4665 -7.3166 -7.3166 -7.2269 -7.2269 1.8043 1.8043 2.2901 2.2901 2.4817 2.4817 2.6434 2.6434 3.2815 3.2815 3.5018 3.5018 7.2000 7.2000 7.2885 7.2885 7.8106 7.8106 8.3644 8.3644 k = 0.0000 0.0571 0.3119 ( 17622 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1369 -26.1369 -26.0987 -26.0987 -9.8761 -9.8761 -9.7964 -9.7964 -9.6181 -9.6181 -9.6088 -9.6088 -9.5428 -9.5428 -9.4674 -9.4674 -7.3146 -7.3146 -7.2248 -7.2248 1.8044 1.8044 2.2386 2.2386 2.4879 2.4879 2.6819 2.6819 3.2675 3.2675 3.4888 3.4888 7.2209 7.2209 7.2933 7.2933 7.8398 7.8398 8.3514 8.3514 k = 0.0000 0.0714 0.3119 ( 17630 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1367 -26.1367 -26.0988 -26.0988 -9.8770 -9.8770 -9.7980 -9.7980 -9.6175 -9.6175 -9.6100 -9.6100 -9.5415 -9.5415 -9.4686 -9.4686 -7.3120 -7.3120 -7.2222 -7.2222 1.8043 1.8043 2.1858 2.1858 2.4934 2.4934 2.7207 2.7207 3.2490 3.2490 3.4740 3.4740 7.2461 7.2461 7.2989 7.2989 7.8775 7.8775 8.3356 8.3356 k = 0.0000 0.0857 0.3119 ( 17628 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1364 -26.1364 -26.0990 -26.0990 -9.8781 -9.8781 -9.7999 -9.7999 -9.6169 -9.6169 -9.6113 -9.6113 -9.5400 -9.5400 -9.4699 -9.4699 -7.3088 -7.3088 -7.2190 -7.2190 1.8038 1.8038 2.1325 2.1325 2.4989 2.4989 2.7581 2.7581 3.2259 3.2259 3.4584 3.4584 7.2741 7.2741 7.3056 7.3056 7.9236 7.9236 8.3182 8.3182 k = 0.0000 0.1000 0.3119 ( 17632 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1361 -26.1361 -26.0991 -26.0991 -9.8795 -9.8795 -9.8020 -9.8020 -9.6162 -9.6162 -9.6127 -9.6127 -9.5384 -9.5384 -9.4715 -9.4715 -7.3051 -7.3051 -7.2153 -7.2153 1.8025 1.8025 2.0792 2.0792 2.5047 2.5047 2.7934 2.7934 3.1984 3.1984 3.4427 3.4427 7.2988 7.2988 7.3179 7.3179 7.9779 7.9779 8.3002 8.3002 k = 0.0000 0.1143 0.3119 ( 17632 PWs) bands (ev): -41.3698 -41.3698 -41.3625 -41.3625 -26.1357 -26.1357 -26.0994 -26.0994 -9.8810 -9.8810 -9.8044 -9.8044 -9.6158 -9.6158 -9.6139 -9.6139 -9.5367 -9.5367 -9.4731 -9.4731 -7.3009 -7.3009 -7.2112 -7.2112 1.7998 1.7998 2.0269 2.0269 2.5111 2.5111 2.8257 2.8257 3.1675 3.1675 3.4275 3.4275 7.3090 7.3090 7.3461 7.3461 8.0399 8.0399 8.2826 8.2826 k = 0.0000 0.1286 0.3119 ( 17628 PWs) bands (ev): -41.3697 -41.3697 -41.3626 -41.3626 -26.1353 -26.1353 -26.0996 -26.0996 -9.8827 -9.8827 -9.8071 -9.8071 -9.6167 -9.6167 -9.6138 -9.6138 -9.5350 -9.5350 -9.4749 -9.4749 -7.2962 -7.2962 -7.2067 -7.2067 1.7950 1.7950 1.9764 1.9764 2.5181 2.5181 2.8540 2.8540 3.1345 3.1345 3.4128 3.4128 7.3133 7.3133 7.3802 7.3802 8.1090 8.1090 8.2664 8.2664 k = 0.0000 0.1429 0.3119 ( 17634 PWs) bands (ev): -41.3697 -41.3697 -41.3626 -41.3626 -26.1349 -26.1349 -26.0999 -26.0999 -9.8846 -9.8846 -9.8099 -9.8099 -9.6184 -9.6184 -9.6131 -9.6131 -9.5332 -9.5332 -9.4767 -9.4767 -7.2911 -7.2911 -7.2018 -7.2018 1.7864 1.7864 1.9294 1.9294 2.5257 2.5257 2.8769 2.8769 3.1019 3.1019 3.3987 3.3987 7.3153 7.3153 7.4159 7.4159 8.1837 8.1837 8.2528 8.2528 k = 0.0000 0.1571 0.3119 ( 17640 PWs) bands (ev): -41.3696 -41.3696 -41.3627 -41.3627 -26.1344 -26.1344 -26.1002 -26.1002 -9.8867 -9.8867 -9.8130 -9.8130 -9.6201 -9.6201 -9.6122 -9.6122 -9.5314 -9.5314 -9.4785 -9.4785 -7.2855 -7.2855 -7.1967 -7.1967 1.7712 1.7712 1.8886 1.8886 2.5338 2.5338 2.8919 2.8919 3.0732 3.0732 3.3851 3.3851 7.3154 7.3154 7.4523 7.4523 8.2392 8.2392 8.2662 8.2662 k = 0.0000 0.1714 0.3119 ( 17630 PWs) bands (ev): -41.3695 -41.3695 -41.3628 -41.3628 -26.1338 -26.1338 -26.1005 -26.1005 -9.8889 -9.8889 -9.8162 -9.8162 -9.6219 -9.6219 -9.6112 -9.6112 -9.5297 -9.5297 -9.4803 -9.4803 -7.2795 -7.2795 -7.1913 -7.1913 1.7465 1.7465 1.8571 1.8571 2.5425 2.5425 2.8950 2.8950 3.0532 3.0532 3.3718 3.3718 7.3136 7.3136 7.4887 7.4887 8.2329 8.2329 8.3477 8.3477 k = 0.0000 0.1857 0.3119 ( 17622 PWs) bands (ev): -41.3694 -41.3694 -41.3629 -41.3629 -26.1333 -26.1333 -26.1009 -26.1009 -9.8912 -9.8912 -9.8197 -9.8197 -9.6237 -9.6237 -9.6103 -9.6103 -9.5280 -9.5280 -9.4820 -9.4820 -7.2731 -7.2731 -7.1857 -7.1857 1.7121 1.7121 1.8347 1.8347 2.5517 2.5517 2.8844 2.8844 3.0451 3.0451 3.3586 3.3586 7.3100 7.3100 7.5249 7.5249 8.2291 8.2291 8.4315 8.4315 k = 0.0000 0.2000 0.3119 ( 17600 PWs) bands (ev): -41.3693 -41.3693 -41.3630 -41.3630 -26.1327 -26.1327 -26.1012 -26.1012 -9.8936 -9.8936 -9.8233 -9.8233 -9.6254 -9.6254 -9.6095 -9.6095 -9.5264 -9.5264 -9.4836 -9.4836 -7.2664 -7.2664 -7.1800 -7.1800 1.6721 1.6721 1.8175 1.8175 2.5612 2.5612 2.8632 2.8632 3.0465 3.0465 3.3456 3.3456 7.3050 7.3050 7.5605 7.5605 8.2291 8.2291 8.5136 8.5136 k = 0.0000 0.2143 0.3119 ( 17588 PWs) bands (ev): -41.3692 -41.3692 -41.3631 -41.3631 -26.1320 -26.1320 -26.1016 -26.1016 -9.8960 -9.8960 -9.8270 -9.8270 -9.6270 -9.6270 -9.6087 -9.6087 -9.5249 -9.5249 -9.4851 -9.4851 -7.2594 -7.2594 -7.1743 -7.1743 1.6299 1.6299 1.8016 1.8016 2.5710 2.5710 2.8375 2.8375 3.0524 3.0524 3.3327 3.3327 7.2988 7.2988 7.5952 7.5952 8.2329 8.2329 8.5904 8.5904 k = 0.0000 0.2286 0.3119 ( 17596 PWs) bands (ev): -41.3691 -41.3691 -41.3632 -41.3632 -26.1314 -26.1314 -26.1021 -26.1021 -9.8985 -9.8985 -9.8309 -9.8309 -9.6284 -9.6284 -9.6080 -9.6080 -9.5235 -9.5235 -9.4865 -9.4865 -7.2522 -7.2522 -7.1685 -7.1685 1.5877 1.5877 1.7851 1.7851 2.5808 2.5808 2.8118 2.8118 3.0593 3.0593 3.3198 3.3198 7.2919 7.2919 7.6284 7.6284 8.2403 8.2403 8.6574 8.6574 k = 0.0000 0.2429 0.3119 ( 17588 PWs) bands (ev): -41.3690 -41.3690 -41.3633 -41.3633 -26.1306 -26.1306 -26.1026 -26.1026 -9.9010 -9.9010 -9.8350 -9.8350 -9.6298 -9.6298 -9.6075 -9.6075 -9.5222 -9.5222 -9.4877 -9.4877 -7.2447 -7.2447 -7.1629 -7.1629 1.5466 1.5466 1.7666 1.7666 2.5904 2.5904 2.7888 2.7888 3.0652 3.0652 3.3069 3.3069 7.2849 7.2849 7.6597 7.6597 8.2509 8.2509 8.7095 8.7095 k = 0.0000 0.2571 0.3119 ( 17594 PWs) bands (ev): -41.3688 -41.3688 -41.3634 -41.3634 -26.1299 -26.1299 -26.1031 -26.1031 -9.9034 -9.9034 -9.8392 -9.8392 -9.6309 -9.6309 -9.6070 -9.6070 -9.5210 -9.5210 -9.4888 -9.4888 -7.2371 -7.2371 -7.1573 -7.1573 1.5071 1.5071 1.7457 1.7457 2.5997 2.5997 2.7702 2.7702 3.0692 3.0692 3.2940 3.2940 7.2782 7.2782 7.6885 7.6885 8.2646 8.2646 8.7429 8.7429 k = 0.0000 0.2714 0.3119 ( 17602 PWs) bands (ev): -41.3687 -41.3687 -41.3636 -41.3636 -26.1291 -26.1291 -26.1036 -26.1036 -9.9057 -9.9057 -9.8435 -9.8435 -9.6318 -9.6318 -9.6067 -9.6067 -9.5199 -9.5199 -9.4897 -9.4897 -7.2294 -7.2294 -7.1520 -7.1520 1.4697 1.4697 1.7223 1.7223 2.6082 2.6082 2.7571 2.7571 3.0708 3.0708 3.2811 3.2811 7.2724 7.2724 7.7142 7.7142 8.2808 8.2808 8.7571 8.7571 k = 0.0000 0.2857 0.3119 ( 17604 PWs) bands (ev): -41.3686 -41.3686 -41.3637 -41.3637 -26.1284 -26.1284 -26.1041 -26.1041 -9.9079 -9.9079 -9.8480 -9.8480 -9.6326 -9.6326 -9.6066 -9.6066 -9.5189 -9.5189 -9.4905 -9.4905 -7.2216 -7.2216 -7.1469 -7.1469 1.4347 1.4347 1.6962 1.6962 2.6159 2.6159 2.7498 2.7498 3.0699 3.0699 3.2682 3.2682 7.2679 7.2679 7.7360 7.7360 8.2992 8.2992 8.7556 8.7556 k = 0.0000 0.3000 0.3119 ( 17608 PWs) bands (ev): -41.3684 -41.3684 -41.3638 -41.3638 -26.1276 -26.1276 -26.1047 -26.1047 -9.9099 -9.9099 -9.8525 -9.8525 -9.6331 -9.6331 -9.6066 -9.6066 -9.5179 -9.5179 -9.4911 -9.4911 -7.2137 -7.2137 -7.1421 -7.1421 1.4023 1.4023 1.6679 1.6679 2.6229 2.6229 2.7482 2.7482 3.0666 3.0666 3.2550 3.2550 7.2651 7.2651 7.7534 7.7534 8.3193 8.3193 8.7436 8.7436 k = 0.0000 0.3143 0.3119 ( 17618 PWs) bands (ev): -41.3683 -41.3683 -41.3640 -41.3640 -26.1267 -26.1267 -26.1053 -26.1053 -9.9118 -9.9118 -9.8571 -9.8571 -9.6334 -9.6334 -9.6068 -9.6068 -9.5169 -9.5169 -9.4917 -9.4917 -7.2059 -7.2059 -7.1377 -7.1377 1.3727 1.3727 1.6376 1.6376 2.6298 2.6298 2.7517 2.7517 3.0608 3.0608 3.2417 3.2417 7.2645 7.2645 7.7655 7.7655 8.3408 8.3408 8.7259 8.7259 k = 0.0000 0.3286 0.3119 ( 17606 PWs) bands (ev): -41.3681 -41.3681 -41.3641 -41.3641 -26.1259 -26.1259 -26.1059 -26.1059 -9.9134 -9.9134 -9.8618 -9.8618 -9.6336 -9.6336 -9.6072 -9.6072 -9.5159 -9.5159 -9.4923 -9.4923 -7.1982 -7.1982 -7.1337 -7.1337 1.3460 1.3460 1.6058 1.6058 2.6372 2.6372 2.7592 2.7592 3.0530 3.0530 3.2279 3.2279 7.2662 7.2662 7.7720 7.7720 8.3631 8.3631 8.7063 8.7063 k = 0.0000 0.3429 0.3119 ( 17618 PWs) bands (ev): -41.3680 -41.3680 -41.3643 -41.3643 -26.1250 -26.1250 -26.1066 -26.1066 -9.9148 -9.9148 -9.8664 -9.8664 -9.6334 -9.6334 -9.6077 -9.6077 -9.5148 -9.5148 -9.4928 -9.4928 -7.1906 -7.1906 -7.1301 -7.1301 1.3224 1.3224 1.5731 1.5731 2.6456 2.6456 2.7698 2.7698 3.0432 3.0432 3.2136 3.2136 7.2705 7.2705 7.7723 7.7723 8.3860 8.3860 8.6874 8.6874 k = 0.0000 0.3571 0.3119 ( 17624 PWs) bands (ev): -41.3678 -41.3678 -41.3644 -41.3644 -26.1241 -26.1241 -26.1073 -26.1073 -9.9159 -9.9159 -9.8711 -9.8711 -9.6331 -9.6331 -9.6084 -9.6084 -9.5138 -9.5138 -9.4934 -9.4934 -7.1831 -7.1831 -7.1270 -7.1270 1.3019 1.3019 1.5399 1.5399 2.6555 2.6555 2.7825 2.7825 3.0320 3.0320 3.1987 3.1987 7.2776 7.2776 7.7664 7.7664 8.4091 8.4091 8.6705 8.6705 k = 0.0000 0.3714 0.3119 ( 17618 PWs) bands (ev): -41.3676 -41.3676 -41.3646 -41.3646 -26.1233 -26.1233 -26.1080 -26.1080 -9.9167 -9.9167 -9.8756 -9.8756 -9.6326 -9.6326 -9.6093 -9.6093 -9.5127 -9.5127 -9.4939 -9.4939 -7.1759 -7.1759 -7.1244 -7.1244 1.2847 1.2847 1.5069 1.5069 2.6669 2.6669 2.7966 2.7966 3.0197 3.0197 3.1831 3.1831 7.2875 7.2875 7.7545 7.7545 8.4320 8.4320 8.6563 8.6563 k = 0.0000 0.3857 0.3119 ( 17606 PWs) bands (ev): -41.3675 -41.3675 -41.3647 -41.3647 -26.1224 -26.1224 -26.1087 -26.1087 -9.9172 -9.9172 -9.8801 -9.8801 -9.6319 -9.6319 -9.6103 -9.6103 -9.5115 -9.5115 -9.4945 -9.4945 -7.1689 -7.1689 -7.1223 -7.1223 1.2707 1.2707 1.4745 1.4745 2.6799 2.6799 2.8112 2.8112 3.0069 3.0069 3.1667 3.1667 7.3004 7.3004 7.7371 7.7371 8.4544 8.4544 8.6448 8.6448 k = 0.0000 0.4000 0.3119 ( 17624 PWs) bands (ev): -41.3673 -41.3673 -41.3649 -41.3649 -26.1215 -26.1215 -26.1095 -26.1095 -9.9174 -9.9174 -9.8844 -9.8844 -9.6310 -9.6310 -9.6115 -9.6115 -9.5104 -9.5104 -9.4952 -9.4952 -7.1623 -7.1623 -7.1209 -7.1209 1.2601 1.2601 1.4430 1.4430 2.6942 2.6942 2.8257 2.8257 2.9942 2.9942 3.1496 3.1496 7.3161 7.3161 7.7149 7.7149 8.4761 8.4761 8.6358 8.6358 k = 0.0000 0.4143 0.3119 ( 17594 PWs) bands (ev): -41.3671 -41.3671 -41.3651 -41.3651 -26.1206 -26.1206 -26.1102 -26.1102 -9.9172 -9.9172 -9.8886 -9.8886 -9.6300 -9.6300 -9.6128 -9.6128 -9.5091 -9.5091 -9.4959 -9.4959 -7.1560 -7.1560 -7.1200 -7.1200 1.2529 1.2529 1.4130 1.4130 2.7098 2.7098 2.8388 2.8388 2.9829 2.9829 3.1317 3.1317 7.3346 7.3346 7.6887 7.6887 8.4967 8.4967 8.6286 8.6286 k = 0.0000 0.4286 0.3119 ( 17596 PWs) bands (ev): -41.3670 -41.3670 -41.3652 -41.3652 -26.1197 -26.1197 -26.1110 -26.1110 -9.9167 -9.9167 -9.8926 -9.8926 -9.6289 -9.6289 -9.6141 -9.6141 -9.5079 -9.5079 -9.4967 -9.4967 -7.1500 -7.1500 -7.1198 -7.1198 1.2490 1.2490 1.3848 1.3848 2.7264 2.7264 2.8489 2.8489 2.9747 2.9747 3.1132 3.1132 7.3559 7.3559 7.6595 7.6595 8.5159 8.5159 8.6226 8.6226 k = 0.0000 0.4429 0.3119 ( 17596 PWs) bands (ev): -41.3668 -41.3668 -41.3654 -41.3654 -26.1188 -26.1188 -26.1118 -26.1118 -9.9158 -9.9158 -9.8964 -9.8964 -9.6276 -9.6276 -9.6156 -9.6156 -9.5066 -9.5066 -9.4976 -9.4976 -7.1446 -7.1446 -7.1201 -7.1201 1.2485 1.2485 1.3587 1.3587 2.7437 2.7437 2.8536 2.8536 2.9717 2.9717 3.0942 3.0942 7.3797 7.3797 7.6281 7.6281 8.5338 8.5338 8.6170 8.6170 k = 0.0000 0.4571 0.3119 ( 17592 PWs) bands (ev): -41.3666 -41.3666 -41.3656 -41.3656 -26.1179 -26.1179 -26.1127 -26.1127 -9.9146 -9.9146 -9.8999 -9.8999 -9.6262 -9.6262 -9.6171 -9.6171 -9.5054 -9.5054 -9.4985 -9.4985 -7.1396 -7.1396 -7.1211 -7.1211 1.2514 1.2514 1.3348 1.3348 2.7615 2.7615 2.8513 2.8513 2.9756 2.9756 3.0748 3.0748 7.4059 7.4059 7.5954 7.5954 8.5499 8.5499 8.6112 8.6112 k = 0.0000 0.4714 0.3119 ( 17588 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1170 -26.1170 -26.1135 -26.1135 -9.9130 -9.9130 -9.9032 -9.9032 -9.6248 -9.6248 -9.6186 -9.6186 -9.5041 -9.5041 -9.4995 -9.4995 -7.1351 -7.1351 -7.1227 -7.1227 1.2575 1.2575 1.3136 1.3136 2.7795 2.7795 2.8428 2.8428 2.9858 2.9858 3.0553 3.0553 7.4343 7.4343 7.5620 7.5620 8.5643 8.5643 8.6046 8.6046 k = 0.0000 0.4857 0.3119 ( 17576 PWs) bands (ev): -41.3663 -41.3663 -41.3659 -41.3659 -26.1161 -26.1161 -26.1143 -26.1143 -9.9111 -9.9111 -9.9061 -9.9061 -9.6233 -9.6233 -9.6202 -9.6202 -9.5029 -9.5029 -9.5006 -9.5006 -7.1311 -7.1311 -7.1249 -7.1249 1.2669 1.2669 1.2951 1.2951 2.7972 2.7972 2.8299 2.8299 3.0003 3.0003 3.0360 3.0360 7.4644 7.4644 7.5287 7.5287 8.5769 8.5769 8.5969 8.5969 k = 0.0000 0.5000 0.3119 ( 17552 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9088 -9.9088 -9.9088 -9.9088 -9.6217 -9.6217 -9.6217 -9.6217 -9.5017 -9.5017 -9.5017 -9.5017 -7.1277 -7.1277 -7.1277 -7.1277 1.2795 1.2795 1.2795 1.2795 2.8143 2.8143 2.8143 2.8143 3.0175 3.0175 3.0175 3.0175 7.4960 7.4960 7.4960 7.4960 8.5877 8.5877 8.5877 8.5877 k = 0.0000 0.5000 0.3119 ( 17552 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9088 -9.9088 -9.9088 -9.9088 -9.6217 -9.6217 -9.6217 -9.6217 -9.5017 -9.5017 -9.5017 -9.5017 -7.1277 -7.1277 -7.1277 -7.1277 1.2795 1.2795 1.2795 1.2795 2.8143 2.8143 2.8143 2.8143 3.0175 3.0175 3.0175 3.0175 7.4960 7.4960 7.4960 7.4960 8.5877 8.5877 8.5877 8.5877 k = 0.0143 0.5000 0.3119 ( 17576 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9094 -9.9094 -9.9079 -9.9079 -9.6249 -9.6249 -9.6186 -9.6186 -9.5042 -9.5042 -9.4994 -9.4994 -7.1278 -7.1278 -7.1278 -7.1278 1.2797 1.2797 1.2808 1.2808 2.8054 2.8054 2.8203 2.8203 3.0092 3.0092 3.0230 3.0230 7.4976 7.4976 7.4982 7.4982 8.5914 8.5914 8.5918 8.5918 k = 0.0286 0.5000 0.3119 ( 17580 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9099 -9.9099 -9.9069 -9.9069 -9.6282 -9.6282 -9.6156 -9.6156 -9.5069 -9.5069 -9.4972 -9.4972 -7.1280 -7.1280 -7.1279 -7.1279 1.2816 1.2816 1.2838 1.2838 2.7937 2.7937 2.8235 2.8235 2.9982 2.9982 3.0258 3.0258 7.5029 7.5029 7.5041 7.5041 8.6027 8.6027 8.6035 8.6035 k = 0.0429 0.5000 0.3119 ( 17576 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9101 -9.9101 -9.9057 -9.9057 -9.6314 -9.6314 -9.6126 -9.6126 -9.5097 -9.5097 -9.4952 -9.4952 -7.1282 -7.1282 -7.1282 -7.1282 1.2850 1.2850 1.2884 1.2884 2.7792 2.7792 2.8238 2.8238 2.9848 2.9848 3.0259 3.0259 7.5119 7.5119 7.5136 7.5136 8.6215 8.6215 8.6228 8.6228 k = 0.0571 0.5000 0.3119 ( 17580 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1151 -26.1151 -26.1151 -26.1151 -9.9102 -9.9102 -9.9043 -9.9043 -9.6347 -9.6347 -9.6097 -9.6097 -9.5126 -9.5126 -9.4933 -9.4933 -7.1286 -7.1286 -7.1285 -7.1285 1.2900 1.2900 1.2946 1.2946 2.7619 2.7619 2.8208 2.8208 2.9693 2.9693 3.0236 3.0236 7.5242 7.5242 7.5265 7.5265 8.6477 8.6477 8.6495 8.6495 k = 0.0714 0.5000 0.3119 ( 17600 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1151 -26.1151 -26.1151 -26.1151 -9.9101 -9.9101 -9.9028 -9.9028 -9.6381 -9.6381 -9.6069 -9.6069 -9.5156 -9.5156 -9.4916 -9.4916 -7.1291 -7.1291 -7.1290 -7.1290 1.2965 1.2965 1.3024 1.3024 2.7418 2.7418 2.8145 2.8145 2.9522 2.9522 3.0190 3.0190 7.5396 7.5396 7.5425 7.5425 8.6809 8.6809 8.6833 8.6833 k = 0.0857 0.5000 0.3119 ( 17592 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1150 -26.1150 -26.1150 -26.1150 -9.9099 -9.9099 -9.9011 -9.9011 -9.6414 -9.6414 -9.6042 -9.6042 -9.5187 -9.5187 -9.4901 -9.4901 -7.1297 -7.1297 -7.1296 -7.1296 1.3046 1.3046 1.3118 1.3118 2.7191 2.7191 2.8044 2.8044 2.9342 2.9342 3.0124 3.0124 7.5579 7.5579 7.5613 7.5613 8.7207 8.7207 8.7238 8.7238 k = 0.1000 0.5000 0.3119 ( 17584 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1150 -26.1150 -26.1150 -26.1150 -9.9094 -9.9094 -9.8993 -9.8993 -9.6446 -9.6446 -9.6016 -9.6016 -9.5219 -9.5219 -9.4888 -9.4888 -7.1303 -7.1303 -7.1302 -7.1302 1.3141 1.3141 1.3226 1.3226 2.6938 2.6938 2.7902 2.7902 2.9159 2.9159 3.0038 3.0038 7.5786 7.5786 7.5826 7.5826 8.7665 8.7665 8.7703 8.7703 k = 0.1143 0.5000 0.3119 ( 17588 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1149 -26.1149 -26.1149 -26.1149 -9.9089 -9.9089 -9.8973 -9.8973 -9.6478 -9.6478 -9.5991 -9.5991 -9.5252 -9.5252 -9.4877 -9.4877 -7.1311 -7.1311 -7.1309 -7.1309 1.3249 1.3249 1.3350 1.3350 2.6661 2.6661 2.7717 2.7717 2.8981 2.8981 2.9937 2.9937 7.6016 7.6016 7.6061 7.6061 8.8172 8.8172 8.8219 8.8219 k = 0.1286 0.5000 0.3119 ( 17576 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1148 -26.1148 -26.1148 -26.1148 -9.9081 -9.9081 -9.8953 -9.8953 -9.6510 -9.6510 -9.5967 -9.5967 -9.5285 -9.5285 -9.4868 -9.4868 -7.1319 -7.1319 -7.1318 -7.1318 1.3371 1.3371 1.3487 1.3487 2.6364 2.6364 2.7490 2.7490 2.8809 2.8809 2.9820 2.9820 7.6263 7.6263 7.6313 7.6313 8.8715 8.8715 8.8774 8.8774 k = 0.1429 0.5000 0.3119 ( 17576 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1147 -26.1147 -26.1147 -26.1147 -9.9073 -9.9073 -9.8932 -9.8932 -9.6540 -9.6540 -9.5944 -9.5944 -9.5319 -9.5319 -9.4861 -9.4861 -7.1328 -7.1328 -7.1327 -7.1327 1.3506 1.3506 1.3639 1.3639 2.6047 2.6047 2.7227 2.7227 2.8643 2.8643 2.9690 2.9690 7.6526 7.6526 7.6581 7.6581 8.9275 8.9275 8.9347 8.9347 k = 0.1571 0.5000 0.3119 ( 17572 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1146 -26.1146 -26.1146 -26.1146 -9.9064 -9.9064 -9.8910 -9.8910 -9.6569 -9.6569 -9.5922 -9.5922 -9.5353 -9.5353 -9.4855 -9.4855 -7.1338 -7.1338 -7.1336 -7.1336 1.3652 1.3652 1.3803 1.3803 2.5715 2.5715 2.6934 2.6934 2.8479 2.8479 2.9548 2.9548 7.6801 7.6801 7.6861 7.6861 8.9819 8.9819 8.9908 8.9908 k = 0.1714 0.5000 0.3119 ( 17568 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1145 -26.1145 -26.1145 -26.1145 -9.9053 -9.9053 -9.8889 -9.8889 -9.6596 -9.6596 -9.5900 -9.5900 -9.5387 -9.5387 -9.4852 -9.4852 -7.1349 -7.1349 -7.1347 -7.1347 1.3809 1.3809 1.3980 1.3980 2.5371 2.5371 2.6620 2.6620 2.8315 2.8315 2.9395 2.9395 7.7085 7.7085 7.7150 7.7150 9.0295 9.0295 9.0400 9.0400 k = 0.1857 0.5000 0.3119 ( 17588 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1144 -26.1144 -26.1144 -26.1144 -9.9042 -9.9042 -9.8867 -9.8867 -9.6621 -9.6621 -9.5880 -9.5880 -9.5420 -9.5420 -9.4850 -9.4850 -7.1360 -7.1360 -7.1358 -7.1358 1.3976 1.3976 1.4168 1.4168 2.5018 2.5018 2.6291 2.6291 2.8148 2.8148 2.9230 2.9230 7.7377 7.7377 7.7446 7.7446 9.0620 9.0620 9.0725 9.0725 k = 0.2000 0.5000 0.3119 ( 17592 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1143 -26.1143 -26.1143 -26.1143 -9.9030 -9.9030 -9.8846 -9.8846 -9.6644 -9.6644 -9.5862 -9.5862 -9.5453 -9.5453 -9.4851 -9.4851 -7.1371 -7.1371 -7.1369 -7.1369 1.4151 1.4151 1.4366 1.4366 2.4660 2.4660 2.5955 2.5955 2.7974 2.7974 2.9056 2.9056 7.7673 7.7673 7.7746 7.7746 9.0706 9.0706 9.0775 9.0775 k = 0.2143 0.5000 0.3119 ( 17604 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1142 -26.1142 -26.1142 -26.1142 -9.9018 -9.9018 -9.8825 -9.8825 -9.6664 -9.6664 -9.5845 -9.5845 -9.5485 -9.5485 -9.4853 -9.4853 -7.1383 -7.1383 -7.1381 -7.1381 1.4334 1.4334 1.4574 1.4574 2.4300 2.4300 2.5618 2.5618 2.7794 2.7794 2.8873 2.8873 7.7971 7.7971 7.8048 7.8048 9.0555 9.0555 9.0568 9.0568 k = 0.2286 0.5000 0.3119 ( 17608 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1141 -26.1141 -26.1141 -26.1141 -9.9005 -9.9005 -9.8806 -9.8806 -9.6681 -9.6681 -9.5830 -9.5830 -9.5515 -9.5515 -9.4858 -9.4858 -7.1395 -7.1395 -7.1393 -7.1393 1.4523 1.4523 1.4790 1.4790 2.3943 2.3943 2.5283 2.5283 2.7605 2.7605 2.8680 2.8680 7.8268 7.8268 7.8349 7.8349 9.0217 9.0217 9.0249 9.0249 k = 0.2429 0.5000 0.3119 ( 17612 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1140 -26.1140 -26.1140 -26.1140 -9.8992 -9.8992 -9.8788 -9.8788 -9.6695 -9.6695 -9.5819 -9.5819 -9.5541 -9.5541 -9.4864 -9.4864 -7.1407 -7.1407 -7.1405 -7.1405 1.4716 1.4716 1.5012 1.5012 2.3592 2.3592 2.4957 2.4957 2.7408 2.7408 2.8479 2.8479 7.8564 7.8564 7.8648 7.8648 8.9804 8.9804 8.9867 8.9867 k = 0.2571 0.5000 0.3119 ( 17612 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1139 -26.1139 -26.1139 -26.1139 -9.8979 -9.8979 -9.8771 -9.8771 -9.6706 -9.6706 -9.5812 -9.5812 -9.5563 -9.5563 -9.4872 -9.4872 -7.1420 -7.1420 -7.1418 -7.1418 1.4912 1.4912 1.5239 1.5239 2.3250 2.3250 2.4642 2.4642 2.7202 2.7202 2.8270 2.8270 7.8855 7.8855 7.8942 7.8942 8.9369 8.9369 8.9452 8.9452 k = 0.2714 0.5000 0.3119 ( 17604 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1138 -26.1138 -26.1138 -26.1138 -9.8966 -9.8966 -9.8757 -9.8757 -9.6712 -9.6712 -9.5813 -9.5813 -9.5578 -9.5578 -9.4882 -9.4882 -7.1432 -7.1432 -7.1430 -7.1430 1.5109 1.5109 1.5469 1.5469 2.2921 2.2921 2.4344 2.4344 2.6988 2.6988 2.8052 2.8052 7.9139 7.9139 7.9229 7.9229 8.8931 8.8931 8.9028 8.9028 k = 0.2857 0.5000 0.3119 ( 17604 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1136 -26.1136 -26.1136 -26.1136 -9.8953 -9.8953 -9.8744 -9.8744 -9.6715 -9.6715 -9.5821 -9.5821 -9.5584 -9.5584 -9.4894 -9.4894 -7.1445 -7.1445 -7.1442 -7.1442 1.5305 1.5305 1.5700 1.5700 2.2610 2.2610 2.4065 2.4065 2.6766 2.6766 2.7828 2.7828 7.9414 7.9414 7.9507 7.9507 8.8500 8.8500 8.8606 8.8606 k = 0.3000 0.5000 0.3119 ( 17604 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1135 -26.1135 -26.1135 -26.1135 -9.8940 -9.8940 -9.8734 -9.8734 -9.6714 -9.6714 -9.5838 -9.5838 -9.5582 -9.5582 -9.4908 -9.4908 -7.1457 -7.1457 -7.1455 -7.1455 1.5497 1.5497 1.5928 1.5928 2.2319 2.2319 2.3808 2.3808 2.6536 2.6536 2.7597 2.7597 7.9679 7.9679 7.9773 7.9773 8.8084 8.8084 8.8195 8.8195 k = 0.3143 0.5000 0.3119 ( 17612 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1134 -26.1134 -26.1134 -26.1134 -9.8927 -9.8927 -9.8726 -9.8726 -9.6708 -9.6708 -9.5861 -9.5861 -9.5573 -9.5573 -9.4923 -9.4923 -7.1469 -7.1469 -7.1466 -7.1466 1.5685 1.5685 1.6151 1.6151 2.2054 2.2054 2.3578 2.3578 2.6299 2.6299 2.7360 2.7360 7.9932 7.9932 8.0027 8.0027 8.7685 8.7685 8.7799 8.7799 k = 0.3286 0.5000 0.3119 ( 17612 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1133 -26.1133 -26.1133 -26.1133 -9.8914 -9.8914 -9.8720 -9.8720 -9.6699 -9.6699 -9.5890 -9.5890 -9.5559 -9.5559 -9.4940 -9.4940 -7.1480 -7.1480 -7.1478 -7.1478 1.5866 1.5866 1.6365 1.6365 2.1819 2.1819 2.3376 2.3376 2.6057 2.6057 2.7118 2.7118 8.0170 8.0170 8.0266 8.0266 8.7307 8.7307 8.7422 8.7422 k = 0.3429 0.5000 0.3119 ( 17608 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1132 -26.1132 -26.1132 -26.1132 -9.8902 -9.8902 -9.8716 -9.8716 -9.6686 -9.6686 -9.5922 -9.5922 -9.5540 -9.5540 -9.4959 -9.4959 -7.1491 -7.1491 -7.1489 -7.1489 1.6037 1.6037 1.6564 1.6564 2.1618 2.1618 2.3204 2.3204 2.5811 2.5811 2.6872 2.6872 8.0393 8.0393 8.0488 8.0488 8.6952 8.6952 8.7066 8.7066 k = 0.3571 0.5000 0.3119 ( 17600 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1131 -26.1131 -26.1131 -26.1131 -9.8890 -9.8890 -9.8714 -9.8714 -9.6668 -9.6668 -9.5956 -9.5956 -9.5519 -9.5519 -9.4979 -9.4979 -7.1501 -7.1501 -7.1499 -7.1499 1.6197 1.6197 1.6746 1.6746 2.1457 2.1457 2.3063 2.3063 2.5563 2.5563 2.6622 2.6622 8.0600 8.0600 8.0694 8.0694 8.6621 8.6621 8.6733 8.6733 k = 0.3714 0.5000 0.3119 ( 17600 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1130 -26.1130 -26.1130 -26.1130 -9.8878 -9.8878 -9.8715 -9.8715 -9.6648 -9.6648 -9.5993 -9.5993 -9.5496 -9.5496 -9.5000 -9.5000 -7.1511 -7.1511 -7.1509 -7.1509 1.6345 1.6345 1.6904 1.6904 2.1341 2.1341 2.2953 2.2953 2.5314 2.5314 2.6371 2.6371 8.0791 8.0791 8.0882 8.0882 8.6317 8.6317 8.6425 8.6425 k = 0.3857 0.5000 0.3119 ( 17592 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1130 -26.1130 -26.1130 -26.1130 -9.8866 -9.8866 -9.8717 -9.8717 -9.6624 -9.6624 -9.6030 -9.6030 -9.5471 -9.5471 -9.5023 -9.5023 -7.1520 -7.1520 -7.1518 -7.1518 1.6480 1.6480 1.7034 1.7034 2.1272 2.1272 2.2872 2.2872 2.5070 2.5070 2.6118 2.6118 8.0964 8.0964 8.1051 8.1051 8.6040 8.6040 8.6142 8.6142 k = 0.4000 0.5000 0.3119 ( 17592 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1129 -26.1129 -26.1129 -26.1129 -9.8855 -9.8855 -9.8721 -9.8721 -9.6597 -9.6597 -9.6069 -9.6069 -9.5445 -9.5445 -9.5048 -9.5048 -7.1528 -7.1528 -7.1526 -7.1526 1.6601 1.6601 1.7134 1.7134 2.1254 2.1254 2.2817 2.2817 2.4835 2.4835 2.5867 2.5867 8.1119 8.1119 8.1201 8.1201 8.5792 8.5792 8.5887 8.5887 k = 0.4143 0.5000 0.3119 ( 17592 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1128 -26.1128 -26.1128 -26.1128 -9.8843 -9.8843 -9.8727 -9.8727 -9.6567 -9.6567 -9.6108 -9.6108 -9.5417 -9.5417 -9.5073 -9.5073 -7.1535 -7.1535 -7.1533 -7.1533 1.6709 1.6709 1.7203 1.7203 2.1286 2.1286 2.2779 2.2779 2.4617 2.4617 2.5618 2.5618 8.1256 8.1256 8.1332 8.1332 8.5574 8.5574 8.5661 8.5661 k = 0.4286 0.5000 0.3119 ( 17596 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1128 -26.1128 -26.1128 -26.1128 -9.8832 -9.8832 -9.8733 -9.8733 -9.6535 -9.6535 -9.6148 -9.6148 -9.5389 -9.5389 -9.5099 -9.5099 -7.1541 -7.1541 -7.1540 -7.1540 1.6804 1.6804 1.7242 1.7242 2.1363 2.1363 2.2746 2.2746 2.4428 2.4428 2.5374 2.5374 8.1376 8.1376 8.1442 8.1442 8.5387 8.5387 8.5464 8.5464 k = 0.4429 0.5000 0.3119 ( 17584 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8821 -9.8821 -9.8741 -9.8741 -9.6501 -9.6501 -9.6188 -9.6188 -9.5360 -9.5360 -9.5126 -9.5126 -7.1546 -7.1546 -7.1545 -7.1545 1.6889 1.6889 1.7256 1.7256 2.1481 2.1481 2.2702 2.2702 2.4284 2.4284 2.5138 2.5138 8.1476 8.1476 8.1533 8.1533 8.5233 8.5233 8.5298 8.5298 k = 0.4571 0.5000 0.3119 ( 17588 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8810 -9.8810 -9.8749 -9.8749 -9.6465 -9.6465 -9.6229 -9.6229 -9.5331 -9.5331 -9.5154 -9.5154 -7.1550 -7.1550 -7.1549 -7.1549 1.6964 1.6964 1.7248 1.7248 2.1632 2.1632 2.2627 2.2627 2.4202 2.4202 2.4914 2.4914 8.1557 8.1557 8.1602 8.1602 8.5114 8.5114 8.5164 8.5164 k = 0.4714 0.5000 0.3119 ( 17572 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8799 -9.8799 -9.8759 -9.8759 -9.6427 -9.6427 -9.6269 -9.6269 -9.5301 -9.5301 -9.5183 -9.5183 -7.1552 -7.1552 -7.1552 -7.1552 1.7031 1.7031 1.7225 1.7225 2.1805 2.1805 2.2512 2.2512 2.4192 2.4192 2.4706 2.4706 8.1619 8.1619 8.1649 8.1649 8.5031 8.5031 8.5065 8.5065 k = 0.4857 0.5000 0.3119 ( 17564 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8789 -9.8789 -9.8768 -9.8768 -9.6389 -9.6389 -9.6309 -9.6309 -9.5272 -9.5272 -9.5212 -9.5212 -7.1554 -7.1554 -7.1554 -7.1554 1.7090 1.7090 1.7188 1.7188 2.1992 2.1992 2.2359 2.2359 2.4250 2.4250 2.4520 2.4520 8.1659 8.1659 8.1675 8.1675 8.4984 8.4984 8.5001 8.5001 k = 0.5000 0.5000 0.3119 ( 17568 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8778 -9.8778 -9.6349 -9.6349 -9.6349 -9.6349 -9.5242 -9.5242 -9.5242 -9.5242 -7.1555 -7.1555 -7.1555 -7.1555 1.7143 1.7143 1.7143 1.7143 2.2181 2.2181 2.2181 2.2181 2.4364 2.4364 2.4364 2.4364 8.1678 8.1678 8.1678 8.1678 8.4974 8.4974 8.4974 8.4974 k = 0.5000 0.5000 0.3119 ( 17568 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8778 -9.8778 -9.6349 -9.6349 -9.6349 -9.6349 -9.5242 -9.5242 -9.5242 -9.5242 -7.1555 -7.1555 -7.1555 -7.1555 1.7143 1.7143 1.7143 1.7143 2.2181 2.2181 2.2181 2.2181 2.4364 2.4364 2.4364 2.4364 8.1678 8.1678 8.1678 8.1678 8.4974 8.4974 8.4974 8.4974 k = 0.4900 0.4900 0.3119 ( 17556 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1126 -26.1126 -9.8789 -9.8789 -9.8768 -9.8768 -9.6388 -9.6388 -9.6310 -9.6310 -9.5271 -9.5271 -9.5213 -9.5213 -7.1554 -7.1554 -7.1553 -7.1553 1.7090 1.7090 1.7189 1.7189 2.1991 2.1991 2.2361 2.2361 2.4249 2.4249 2.4520 2.4520 8.1649 8.1649 8.1685 8.1685 8.4979 8.4979 8.5005 8.5005 k = 0.4800 0.4800 0.3119 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1128 -26.1128 -26.1126 -26.1126 -9.8799 -9.8799 -9.8759 -9.8759 -9.6427 -9.6427 -9.6270 -9.6270 -9.5301 -9.5301 -9.5184 -9.5184 -7.1554 -7.1554 -7.1550 -7.1550 1.7027 1.7027 1.7231 1.7231 2.1785 2.1785 2.2538 2.2538 2.4175 2.4175 2.4712 2.4712 8.1569 8.1569 8.1702 8.1702 8.5006 8.5006 8.5086 8.5086 k = 0.4700 0.4700 0.3119 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1129 -26.1129 -26.1125 -26.1125 -9.8809 -9.8809 -9.8750 -9.8750 -9.6464 -9.6464 -9.6230 -9.6230 -9.5330 -9.5330 -9.5155 -9.5155 -7.1554 -7.1554 -7.1545 -7.1545 1.6953 1.6953 1.7274 1.7274 2.1563 2.1563 2.2718 2.2718 2.4139 2.4139 2.4936 2.4936 8.1440 8.1440 8.1729 8.1729 8.5051 8.5051 8.5219 8.5219 k = 0.4600 0.4600 0.3119 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3660 -41.3660 -26.1130 -26.1130 -26.1124 -26.1124 -9.8820 -9.8820 -9.8741 -9.8741 -9.6500 -9.6500 -9.6189 -9.6189 -9.5359 -9.5359 -9.5128 -9.5128 -7.1554 -7.1554 -7.1538 -7.1538 1.6868 1.6868 1.7320 1.7320 2.1327 2.1327 2.2905 2.2905 2.4138 2.4138 2.5186 2.5186 8.1267 8.1267 8.1766 8.1766 8.5114 8.5114 8.5401 8.5401 k = 0.4500 0.4500 0.3119 ( 17580 PWs) bands (ev): -41.3661 -41.3661 -41.3659 -41.3659 -26.1133 -26.1133 -26.1123 -26.1123 -9.8830 -9.8830 -9.8734 -9.8734 -9.6535 -9.6535 -9.6149 -9.6149 -9.5387 -9.5387 -9.5101 -9.5101 -7.1554 -7.1554 -7.1529 -7.1529 1.6776 1.6776 1.7370 1.7370 2.1078 2.1078 2.3102 2.3102 2.4168 2.4168 2.5455 2.5455 8.1054 8.1054 8.1814 8.1814 8.5196 8.5196 8.5628 8.5628 k = 0.4400 0.4400 0.3119 ( 17586 PWs) bands (ev): -41.3662 -41.3662 -41.3659 -41.3659 -26.1135 -26.1135 -26.1122 -26.1122 -9.8839 -9.8839 -9.8727 -9.8727 -9.6569 -9.6569 -9.6110 -9.6110 -9.5414 -9.5414 -9.5075 -9.5075 -7.1554 -7.1554 -7.1518 -7.1518 1.6680 1.6680 1.7426 1.7426 2.0822 2.0822 2.3305 2.3305 2.4227 2.4227 2.5741 2.5741 8.0806 8.0806 8.1872 8.1872 8.5296 8.5296 8.5898 8.5898 k = 0.4300 0.4300 0.3119 ( 17594 PWs) bands (ev): -41.3662 -41.3662 -41.3659 -41.3659 -26.1138 -26.1138 -26.1120 -26.1120 -9.8848 -9.8848 -9.8721 -9.8721 -9.6601 -9.6601 -9.6071 -9.6071 -9.5440 -9.5440 -9.5050 -9.5050 -7.1555 -7.1555 -7.1506 -7.1506 1.6583 1.6583 1.7488 1.7488 2.0564 2.0564 2.3512 2.3512 2.4315 2.4315 2.6038 2.6038 8.0530 8.0530 8.1941 8.1941 8.5415 8.5415 8.6210 8.6210 k = 0.4200 0.4200 0.3119 ( 17588 PWs) bands (ev): -41.3663 -41.3663 -41.3658 -41.3658 -26.1142 -26.1142 -26.1118 -26.1118 -9.8856 -9.8856 -9.8716 -9.8716 -9.6631 -9.6631 -9.6033 -9.6033 -9.5465 -9.5465 -9.5026 -9.5026 -7.1558 -7.1558 -7.1493 -7.1493 1.6490 1.6490 1.7554 1.7554 2.0306 2.0306 2.3716 2.3716 2.4431 2.4431 2.6344 2.6344 8.0228 8.0228 8.2018 8.2018 8.5552 8.5552 8.6560 8.6560 k = 0.4100 0.4100 0.3119 ( 17598 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1146 -26.1146 -26.1115 -26.1115 -9.8863 -9.8863 -9.8712 -9.8712 -9.6659 -9.6659 -9.5996 -9.5996 -9.5488 -9.5488 -9.5003 -9.5003 -7.1561 -7.1561 -7.1479 -7.1479 1.6404 1.6404 1.7624 1.7624 2.0055 2.0055 2.3913 2.3913 2.4576 2.4576 2.6656 2.6656 7.9907 7.9907 8.2104 8.2104 8.5707 8.5707 8.6948 8.6948 k = 0.4000 0.4000 0.3119 ( 17614 PWs) bands (ev): -41.3664 -41.3664 -41.3657 -41.3657 -26.1150 -26.1150 -26.1113 -26.1113 -9.8869 -9.8869 -9.8708 -9.8708 -9.6686 -9.6686 -9.5961 -9.5961 -9.5509 -9.5509 -9.4981 -9.4981 -7.1566 -7.1566 -7.1464 -7.1464 1.6328 1.6328 1.7693 1.7693 1.9816 1.9816 2.4099 2.4099 2.4749 2.4749 2.6974 2.6974 7.9569 7.9569 8.2199 8.2199 8.5880 8.5880 8.7372 8.7372 k = 0.3900 0.3900 0.3119 ( 17606 PWs) bands (ev): -41.3665 -41.3665 -41.3656 -41.3656 -26.1155 -26.1155 -26.1110 -26.1110 -9.8874 -9.8874 -9.8706 -9.8706 -9.6709 -9.6709 -9.5928 -9.5928 -9.5527 -9.5527 -9.4961 -9.4961 -7.1573 -7.1573 -7.1450 -7.1450 1.6264 1.6264 1.7758 1.7758 1.9597 1.9597 2.4276 2.4276 2.4946 2.4946 2.7295 2.7295 7.9219 7.9219 8.2301 8.2301 8.6071 8.6071 8.7830 8.7830 k = 0.3800 0.3800 0.3119 ( 17614 PWs) bands (ev): -41.3666 -41.3666 -41.3655 -41.3655 -26.1160 -26.1160 -26.1107 -26.1107 -9.8878 -9.8878 -9.8704 -9.8704 -9.6731 -9.6731 -9.5899 -9.5899 -9.5541 -9.5541 -9.4942 -9.4942 -7.1582 -7.1582 -7.1435 -7.1435 1.6215 1.6215 1.7809 1.7809 1.9406 1.9406 2.4447 2.4447 2.5161 2.5161 2.7617 2.7617 7.8861 7.8861 8.2409 8.2409 8.6277 8.6277 8.8319 8.8319 k = 0.3700 0.3700 0.3119 ( 17616 PWs) bands (ev): -41.3667 -41.3667 -41.3655 -41.3655 -26.1165 -26.1165 -26.1104 -26.1104 -9.8881 -9.8881 -9.8703 -9.8703 -9.6749 -9.6749 -9.5873 -9.5873 -9.5552 -9.5552 -9.4925 -9.4925 -7.1594 -7.1594 -7.1421 -7.1421 1.6182 1.6182 1.7835 1.7835 1.9259 1.9259 2.4615 2.4615 2.5386 2.5386 2.7941 2.7941 7.8498 7.8498 8.2522 8.2522 8.6498 8.6498 8.8837 8.8837 k = 0.3600 0.3600 0.3119 ( 17620 PWs) bands (ev): -41.3668 -41.3668 -41.3654 -41.3654 -26.1171 -26.1171 -26.1101 -26.1101 -9.8883 -9.8883 -9.8702 -9.8702 -9.6765 -9.6765 -9.5852 -9.5852 -9.5558 -9.5558 -9.4909 -9.4909 -7.1608 -7.1608 -7.1407 -7.1407 1.6166 1.6166 1.7824 1.7824 1.9170 1.9170 2.4784 2.4784 2.5618 2.5618 2.8263 2.8263 7.8133 7.8133 8.2638 8.2638 8.6730 8.6730 8.9382 8.9382 k = 0.3500 0.3500 0.3119 ( 17628 PWs) bands (ev): -41.3669 -41.3669 -41.3653 -41.3653 -26.1177 -26.1177 -26.1097 -26.1097 -9.8884 -9.8884 -9.8700 -9.8700 -9.6777 -9.6777 -9.5836 -9.5836 -9.5558 -9.5558 -9.4894 -9.4894 -7.1626 -7.1626 -7.1395 -7.1395 1.6167 1.6167 1.7767 1.7767 1.9147 1.9147 2.4955 2.4955 2.5852 2.5852 2.8583 2.8583 7.7769 7.7769 8.2755 8.2755 8.6972 8.6972 8.9950 8.9950 k = 0.3400 0.3400 0.3119 ( 17616 PWs) bands (ev): -41.3670 -41.3670 -41.3652 -41.3652 -26.1184 -26.1184 -26.1093 -26.1093 -9.8884 -9.8884 -9.8698 -9.8698 -9.6787 -9.6787 -9.5827 -9.5827 -9.5552 -9.5552 -9.4881 -9.4881 -7.1647 -7.1647 -7.1384 -7.1384 1.6186 1.6186 1.7673 1.7673 1.9186 1.9186 2.5129 2.5129 2.6088 2.6088 2.8899 2.8899 7.7410 7.7410 8.2870 8.2870 8.7218 8.7218 9.0538 9.0538 k = 0.3300 0.3300 0.3119 ( 17614 PWs) bands (ev): -41.3671 -41.3671 -41.3651 -41.3651 -26.1190 -26.1190 -26.1089 -26.1089 -9.8885 -9.8885 -9.8694 -9.8694 -9.6793 -9.6793 -9.5822 -9.5822 -9.5541 -9.5541 -9.4870 -9.4870 -7.1671 -7.1671 -7.1376 -7.1376 1.6223 1.6223 1.7554 1.7554 1.9274 1.9274 2.5305 2.5305 2.6325 2.6325 2.9209 2.9209 7.7058 7.7058 8.2980 8.2980 8.7464 8.7464 9.1143 9.1143 k = 0.3200 0.3200 0.3119 ( 17616 PWs) bands (ev): -41.3672 -41.3672 -41.3650 -41.3650 -26.1197 -26.1197 -26.1085 -26.1085 -9.8886 -9.8886 -9.8689 -9.8689 -9.6796 -9.6796 -9.5822 -9.5822 -9.5526 -9.5526 -9.4860 -9.4860 -7.1699 -7.1699 -7.1369 -7.1369 1.6275 1.6275 1.7427 1.7427 1.9396 1.9396 2.5483 2.5483 2.6563 2.6563 2.9512 2.9512 7.6715 7.6715 8.3082 8.3082 8.7705 8.7705 9.1759 9.1759 k = 0.3100 0.3100 0.3119 ( 17600 PWs) bands (ev): -41.3673 -41.3673 -41.3649 -41.3649 -26.1204 -26.1204 -26.1081 -26.1081 -9.8887 -9.8887 -9.8681 -9.8681 -9.6795 -9.6795 -9.5826 -9.5826 -9.5507 -9.5507 -9.4851 -9.4851 -7.1731 -7.1731 -7.1366 -7.1366 1.6342 1.6342 1.7304 1.7304 1.9545 1.9545 2.5663 2.5663 2.6803 2.6803 2.9805 2.9805 7.6383 7.6383 8.3169 8.3169 8.7934 8.7934 9.2380 9.2380 k = 0.3000 0.3000 0.3119 ( 17596 PWs) bands (ev): -41.3674 -41.3674 -41.3647 -41.3647 -26.1212 -26.1212 -26.1077 -26.1077 -9.8890 -9.8890 -9.8670 -9.8670 -9.6791 -9.6791 -9.5832 -9.5832 -9.5487 -9.5487 -9.4845 -9.4845 -7.1767 -7.1767 -7.1365 -7.1365 1.6420 1.6420 1.7193 1.7193 1.9712 1.9712 2.5845 2.5845 2.7047 2.7047 3.0087 3.0087 7.6066 7.6066 8.3236 8.3236 8.8145 8.8145 9.2993 9.2993 k = 0.2900 0.2900 0.3119 ( 17592 PWs) bands (ev): -41.3675 -41.3675 -41.3646 -41.3646 -26.1219 -26.1219 -26.1073 -26.1073 -9.8893 -9.8893 -9.8656 -9.8656 -9.6784 -9.6784 -9.5840 -9.5840 -9.5465 -9.5465 -9.4839 -9.4839 -7.1806 -7.1806 -7.1368 -7.1368 1.6504 1.6504 1.7103 1.7103 1.9894 1.9894 2.6027 2.6027 2.7296 2.7296 3.0356 3.0356 7.5765 7.5765 8.3276 8.3276 8.8334 8.8334 9.3447 9.3447 k = 0.2800 0.2800 0.3119 ( 17594 PWs) bands (ev): -41.3677 -41.3677 -41.3645 -41.3645 -26.1226 -26.1226 -26.1069 -26.1069 -9.8897 -9.8897 -9.8639 -9.8639 -9.6774 -9.6774 -9.5848 -9.5848 -9.5443 -9.5443 -9.4836 -9.4836 -7.1849 -7.1849 -7.1374 -7.1374 1.6583 1.6583 1.7047 1.7047 2.0088 2.0088 2.6210 2.6210 2.7551 2.7551 3.0608 3.0608 7.5481 7.5481 8.3279 8.3279 8.8494 8.8494 9.2825 9.2825 k = 0.2700 0.2700 0.3119 ( 17592 PWs) bands (ev): -41.3678 -41.3678 -41.3644 -41.3644 -26.1234 -26.1234 -26.1064 -26.1064 -9.8901 -9.8901 -9.8619 -9.8619 -9.6760 -9.6760 -9.5858 -9.5858 -9.5421 -9.5421 -9.4833 -9.4833 -7.1896 -7.1896 -7.1384 -7.1384 1.6641 1.6641 1.7042 1.7042 2.0293 2.0293 2.6394 2.6394 2.7814 2.7814 3.0843 3.0843 7.5217 7.5217 8.3238 8.3238 8.8620 8.8620 9.1984 9.1984 k = 0.2600 0.2600 0.3119 ( 17614 PWs) bands (ev): -41.3679 -41.3679 -41.3643 -41.3643 -26.1242 -26.1242 -26.1060 -26.1060 -9.8905 -9.8905 -9.8597 -9.8597 -9.6744 -9.6744 -9.5868 -9.5868 -9.5400 -9.5400 -9.4833 -9.4833 -7.1946 -7.1946 -7.1397 -7.1397 1.6669 1.6669 1.7096 1.7096 2.0505 2.0505 2.6580 2.6580 2.8086 2.8086 3.1056 3.1056 7.4973 7.4973 8.3142 8.3142 8.8705 8.8705 9.1137 9.1137 k = 0.2500 0.2500 0.3119 ( 17620 PWs) bands (ev): -41.3681 -41.3681 -41.3641 -41.3641 -26.1250 -26.1250 -26.1055 -26.1055 -9.8910 -9.8910 -9.8571 -9.8571 -9.6724 -9.6724 -9.5878 -9.5878 -9.5379 -9.5379 -9.4833 -9.4833 -7.1999 -7.1999 -7.1415 -7.1415 1.6681 1.6681 1.7194 1.7194 2.0725 2.0725 2.6771 2.6771 2.8366 2.8366 3.1247 3.1247 7.4751 7.4751 8.2981 8.2981 8.8739 8.8739 9.0302 9.0302 k = 0.2400 0.2400 0.3119 ( 17608 PWs) bands (ev): -41.3682 -41.3682 -41.3640 -41.3640 -26.1257 -26.1257 -26.1051 -26.1051 -9.8913 -9.8913 -9.8544 -9.8544 -9.6702 -9.6702 -9.5889 -9.5889 -9.5359 -9.5359 -9.4834 -9.4834 -7.2055 -7.2055 -7.1436 -7.1436 1.6697 1.6697 1.7314 1.7314 2.0950 2.0950 2.6967 2.6967 2.8655 2.8655 3.1412 3.1412 7.4552 7.4552 8.2749 8.2749 8.8712 8.8712 8.9488 8.9488 k = 0.2300 0.2300 0.3119 ( 17616 PWs) bands (ev): -41.3683 -41.3683 -41.3639 -41.3639 -26.1265 -26.1265 -26.1046 -26.1046 -9.8916 -9.8916 -9.8514 -9.8514 -9.6678 -9.6678 -9.5899 -9.5899 -9.5340 -9.5340 -9.4836 -9.4836 -7.2114 -7.2114 -7.1462 -7.1462 1.6727 1.6727 1.7446 1.7446 2.1179 2.1179 2.7171 2.7171 2.8952 2.8952 3.1551 3.1551 7.4375 7.4375 8.2440 8.2440 8.8566 8.8566 8.8749 8.8749 k = 0.2200 0.2200 0.3119 ( 17608 PWs) bands (ev): -41.3684 -41.3684 -41.3638 -41.3638 -26.1273 -26.1273 -26.1042 -26.1042 -9.8917 -9.8917 -9.8483 -9.8483 -9.6652 -9.6652 -9.5911 -9.5911 -9.5323 -9.5323 -9.4838 -9.4838 -7.2175 -7.2175 -7.1492 -7.1492 1.6776 1.6776 1.7581 1.7581 2.1411 2.1411 2.7384 2.7384 2.9256 2.9256 3.1661 3.1661 7.4221 7.4221 8.2054 8.2054 8.7914 8.7914 8.8468 8.8468 k = 0.2100 0.2100 0.3119 ( 17604 PWs) bands (ev): -41.3685 -41.3685 -41.3637 -41.3637 -26.1280 -26.1280 -26.1038 -26.1038 -9.8918 -9.8918 -9.8451 -9.8451 -9.6623 -9.6623 -9.5922 -9.5922 -9.5308 -9.5308 -9.4841 -9.4841 -7.2238 -7.2238 -7.1525 -7.1525 1.6847 1.6847 1.7717 1.7717 2.1646 2.1646 2.7608 2.7608 2.9566 2.9566 3.1741 3.1741 7.4089 7.4089 8.1596 8.1596 8.7201 8.7201 8.8196 8.8196 k = 0.2000 0.2000 0.3119 ( 17600 PWs) bands (ev): -41.3687 -41.3687 -41.3636 -41.3636 -26.1288 -26.1288 -26.1033 -26.1033 -9.8916 -9.8916 -9.8418 -9.8418 -9.6593 -9.6593 -9.5934 -9.5934 -9.5295 -9.5295 -9.4843 -9.4843 -7.2303 -7.2303 -7.1562 -7.1562 1.6939 1.6939 1.7851 1.7851 2.1881 2.1881 2.7842 2.7842 2.9880 2.9880 3.1792 3.1792 7.3977 7.3977 8.1074 8.1074 8.6529 8.6529 8.7832 8.7832 k = 0.1900 0.1900 0.3119 ( 17582 PWs) bands (ev): -41.3688 -41.3688 -41.3634 -41.3634 -26.1295 -26.1295 -26.1029 -26.1029 -9.8914 -9.8914 -9.8384 -9.8384 -9.6562 -9.6562 -9.5946 -9.5946 -9.5284 -9.5284 -9.4844 -9.4844 -7.2368 -7.2368 -7.1601 -7.1601 1.7050 1.7050 1.7983 1.7983 2.2115 2.2115 2.8088 2.8088 3.0194 3.0194 3.1816 3.1816 7.3884 7.3884 8.0497 8.0497 8.5906 8.5906 8.7377 8.7377 k = 0.1800 0.1800 0.3119 ( 17570 PWs) bands (ev): -41.3689 -41.3689 -41.3633 -41.3633 -26.1302 -26.1302 -26.1025 -26.1025 -9.8909 -9.8909 -9.8350 -9.8350 -9.6529 -9.6529 -9.5958 -9.5958 -9.5277 -9.5277 -9.4843 -9.4843 -7.2434 -7.2434 -7.1644 -7.1644 1.7178 1.7178 1.8116 1.8116 2.2347 2.2347 2.8342 2.8342 3.0501 3.0501 3.1819 3.1819 7.3807 7.3807 7.9880 7.9880 8.5338 8.5338 8.6838 8.6838 k = 0.1700 0.1700 0.3119 ( 17584 PWs) bands (ev): -41.3690 -41.3690 -41.3632 -41.3632 -26.1309 -26.1309 -26.1021 -26.1021 -9.8903 -9.8903 -9.8316 -9.8316 -9.6496 -9.6496 -9.5971 -9.5971 -9.5273 -9.5273 -9.4840 -9.4840 -7.2500 -7.2500 -7.1690 -7.1690 1.7318 1.7318 1.8254 1.8254 2.2577 2.2577 2.8600 2.8600 3.0790 3.0790 3.1815 3.1815 7.3742 7.3742 7.9233 7.9233 8.4830 8.4830 8.6230 8.6230 k = 0.1600 0.1600 0.3119 ( 17580 PWs) bands (ev): -41.3691 -41.3691 -41.3631 -41.3631 -26.1316 -26.1316 -26.1017 -26.1017 -9.8895 -9.8895 -9.8282 -9.8282 -9.6462 -9.6462 -9.5983 -9.5983 -9.5273 -9.5273 -9.4836 -9.4836 -7.2565 -7.2565 -7.1737 -7.1737 1.7462 1.7462 1.8403 1.8403 2.2802 2.2802 2.8856 2.8856 3.1026 3.1026 3.1841 3.1841 7.3686 7.3686 7.8568 7.8568 8.4385 8.4385 8.5570 8.5570 k = 0.1500 0.1500 0.3119 ( 17576 PWs) bands (ev): -41.3692 -41.3692 -41.3630 -41.3630 -26.1322 -26.1322 -26.1014 -26.1014 -9.8886 -9.8886 -9.8248 -9.8248 -9.6428 -9.6428 -9.5997 -9.5997 -9.5276 -9.5276 -9.4828 -9.4828 -7.2630 -7.2630 -7.1786 -7.1786 1.7600 1.7600 1.8573 1.8573 2.3021 2.3021 2.9097 2.9097 3.1159 3.1159 3.1957 3.1957 7.3635 7.3635 7.7898 7.7898 8.4008 8.4008 8.4877 8.4877 k = 0.1400 0.1400 0.3119 ( 17584 PWs) bands (ev): -41.3693 -41.3693 -41.3629 -41.3629 -26.1328 -26.1328 -26.1010 -26.1010 -9.8876 -9.8876 -9.8215 -9.8215 -9.6395 -9.6395 -9.6010 -9.6010 -9.5283 -9.5283 -9.4818 -9.4818 -7.2693 -7.2693 -7.1835 -7.1835 1.7722 1.7722 1.8774 1.8774 2.3233 2.3233 2.9301 2.9301 3.1190 3.1190 3.2179 3.2179 7.3584 7.3584 7.7231 7.7231 8.3694 8.3694 8.4171 8.4171 k = 0.1300 0.1300 0.3119 ( 17600 PWs) bands (ev): -41.3694 -41.3694 -41.3628 -41.3628 -26.1334 -26.1334 -26.1007 -26.1007 -9.8865 -9.8865 -9.8183 -9.8183 -9.6362 -9.6362 -9.6024 -9.6024 -9.5293 -9.5293 -9.4806 -9.4806 -7.2754 -7.2754 -7.1885 -7.1885 1.7822 1.7822 1.9013 1.9013 2.3438 2.3438 2.9437 2.9437 3.1192 3.1192 3.2461 3.2461 7.3531 7.3531 7.6576 7.6576 8.3363 8.3363 8.3547 8.3547 k = 0.1200 0.1200 0.3119 ( 17604 PWs) bands (ev): -41.3695 -41.3695 -41.3628 -41.3628 -26.1339 -26.1339 -26.1004 -26.1004 -9.8852 -9.8852 -9.8151 -9.8151 -9.6330 -9.6330 -9.6037 -9.6037 -9.5305 -9.5305 -9.4793 -9.4793 -7.2813 -7.2813 -7.1935 -7.1935 1.7899 1.7899 1.9291 1.9291 2.3633 2.3633 2.9467 2.9467 3.1236 3.1236 3.2766 3.2766 7.3473 7.3473 7.5941 7.5941 8.2708 8.2708 8.3323 8.3323 k = 0.1100 0.1100 0.3119 ( 17616 PWs) bands (ev): -41.3696 -41.3696 -41.3627 -41.3627 -26.1345 -26.1345 -26.1001 -26.1001 -9.8840 -9.8840 -9.8121 -9.8121 -9.6299 -9.6299 -9.6051 -9.6051 -9.5319 -9.5319 -9.4777 -9.4777 -7.2869 -7.2869 -7.1984 -7.1984 1.7955 1.7955 1.9605 1.9605 2.3818 2.3818 2.9373 2.9373 3.1351 3.1351 3.3076 3.3076 7.3409 7.3409 7.5332 7.5332 8.2021 8.2021 8.3214 8.3214 k = 0.1000 0.1000 0.3119 ( 17632 PWs) bands (ev): -41.3697 -41.3697 -41.3626 -41.3626 -26.1349 -26.1349 -26.0998 -26.0998 -9.8827 -9.8827 -9.8093 -9.8093 -9.6270 -9.6270 -9.6063 -9.6063 -9.5335 -9.5335 -9.4761 -9.4761 -7.2921 -7.2921 -7.2032 -7.2032 1.7993 1.7993 1.9952 1.9952 2.3991 2.3991 2.9170 2.9170 3.1526 3.1526 3.3383 3.3383 7.3338 7.3338 7.4758 7.4758 8.1357 8.1357 8.3168 8.3168 k = 0.0900 0.0900 0.3119 ( 17632 PWs) bands (ev): -41.3698 -41.3698 -41.3626 -41.3626 -26.1354 -26.1354 -26.0995 -26.0995 -9.8814 -9.8814 -9.8066 -9.8066 -9.6244 -9.6244 -9.6075 -9.6075 -9.5352 -9.5352 -9.4745 -9.4745 -7.2970 -7.2970 -7.2077 -7.2077 1.8019 1.8019 2.0328 2.0328 2.4151 2.4151 2.8887 2.8887 3.1736 3.1736 3.3681 3.3681 7.3260 7.3260 7.4223 7.4223 8.0729 8.0729 8.3173 8.3173 k = 0.0800 0.0800 0.3119 ( 17636 PWs) bands (ev): -41.3698 -41.3698 -41.3625 -41.3625 -26.1358 -26.1358 -26.0993 -26.0993 -9.8801 -9.8801 -9.8041 -9.8041 -9.6222 -9.6222 -9.6084 -9.6084 -9.5369 -9.5369 -9.4728 -9.4728 -7.3015 -7.3015 -7.2119 -7.2119 1.8035 1.8035 2.0728 2.0728 2.4296 2.4296 2.8546 2.8546 3.1956 3.1956 3.3965 3.3965 7.3175 7.3175 7.3736 7.3736 8.0143 8.0143 8.3219 8.3219 k = 0.0700 0.0700 0.3119 ( 17628 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1361 -26.1361 -26.0991 -26.0991 -9.8789 -9.8789 -9.8018 -9.8018 -9.6203 -9.6203 -9.6091 -9.6091 -9.5386 -9.5386 -9.4713 -9.4713 -7.3055 -7.3055 -7.2158 -7.2158 1.8043 1.8043 2.1149 2.1149 2.4425 2.4425 2.8164 2.8164 3.2172 3.2172 3.4230 3.4230 7.3061 7.3061 7.3324 7.3324 7.9608 7.9608 8.3295 8.3295 k = 0.0600 0.0600 0.3119 ( 17648 PWs) bands (ev): -41.3699 -41.3699 -41.3624 -41.3624 -26.1364 -26.1364 -26.0989 -26.0989 -9.8778 -9.8778 -9.7997 -9.7997 -9.6191 -9.6191 -9.6093 -9.6093 -9.5401 -9.5401 -9.4698 -9.4698 -7.3091 -7.3091 -7.2193 -7.2193 1.8047 1.8047 2.1588 2.1588 2.4536 2.4536 2.7754 2.7754 3.2373 3.2373 3.4471 3.4471 7.2815 7.2815 7.3099 7.3099 7.9130 7.9130 8.3390 8.3390 k = 0.0500 0.0500 0.3119 ( 17636 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1367 -26.1367 -26.0988 -26.0988 -9.8768 -9.8768 -9.7979 -9.7979 -9.6186 -9.6186 -9.6090 -9.6090 -9.5416 -9.5416 -9.4685 -9.4685 -7.3121 -7.3121 -7.2224 -7.2224 1.8047 1.8047 2.2041 2.2041 2.4627 2.4627 2.7325 2.7325 3.2552 3.2552 3.4685 3.4685 7.2499 7.2499 7.3005 7.3005 7.8715 7.8715 8.3493 8.3493 k = 0.0400 0.0400 0.3119 ( 17622 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1369 -26.1369 -26.0987 -26.0987 -9.8760 -9.8760 -9.7964 -9.7964 -9.6185 -9.6185 -9.6084 -9.6084 -9.5428 -9.5428 -9.4674 -9.4674 -7.3147 -7.3147 -7.2249 -7.2249 1.8046 1.8046 2.2502 2.2502 2.4691 2.4691 2.6890 2.6890 3.2704 3.2704 3.4867 3.4867 7.2222 7.2222 7.2938 7.2938 7.8368 7.8368 8.3592 8.3592 k = 0.0300 0.0300 0.3119 ( 17614 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1371 -26.1371 -26.0986 -26.0986 -9.8753 -9.8753 -9.7951 -9.7951 -9.6187 -9.6187 -9.6077 -9.6077 -9.5438 -9.5438 -9.4665 -9.4665 -7.3167 -7.3167 -7.2270 -7.2270 1.8043 1.8043 2.2964 2.2964 2.4722 2.4722 2.6467 2.6467 3.2825 3.2825 3.5012 3.5012 7.2001 7.2001 7.2887 7.2887 7.8093 7.8093 8.3680 8.3680 k = 0.0200 0.0200 0.3119 ( 17606 PWs) bands (ev): -41.3700 -41.3700 -41.3623 -41.3623 -26.1372 -26.1372 -26.0985 -26.0985 -9.8748 -9.8748 -9.7943 -9.7943 -9.6189 -9.6189 -9.6071 -9.6071 -9.5446 -9.5446 -9.4658 -9.4658 -7.3181 -7.3181 -7.2284 -7.2284 1.8041 1.8041 2.3415 2.3415 2.4698 2.4698 2.6089 2.6089 3.2914 3.2914 3.5119 3.5119 7.1841 7.1841 7.2849 7.2849 7.7894 7.7894 8.3748 8.3748 k = 0.0100 0.0100 0.3119 ( 17614 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0985 -26.0985 -9.8745 -9.8745 -9.7937 -9.7937 -9.6191 -9.6191 -9.6067 -9.6067 -9.5450 -9.5450 -9.4654 -9.4654 -7.3190 -7.3190 -7.2293 -7.2293 1.8040 1.8040 2.3826 2.3826 2.4589 2.4589 2.5816 2.5816 3.2968 3.2968 3.5184 3.5184 7.1745 7.1745 7.2826 7.2826 7.7774 7.7774 8.3792 8.3792 k = 0.0000 0.0000 0.3119 ( 17620 PWs) bands (ev): -41.3701 -41.3701 -41.3623 -41.3623 -26.1373 -26.1373 -26.0984 -26.0984 -9.8744 -9.8744 -9.7935 -9.7935 -9.6192 -9.6192 -9.6065 -9.6065 -9.5452 -9.5452 -9.4652 -9.4652 -7.3193 -7.3193 -7.2296 -7.2296 1.8039 1.8039 2.4061 2.4061 2.4463 2.4463 2.5716 2.5716 3.2986 3.2986 3.5206 3.5206 7.1712 7.1712 7.2818 7.2818 7.7734 7.7734 8.3807 8.3807 k = 0.0000 0.5000-0.0000 ( 17568 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8979 -9.8979 -9.8979 -9.8979 -9.6193 -9.6193 -9.6193 -9.6193 -9.5063 -9.5063 -9.5063 -9.5063 -7.1537 -7.1537 -7.1537 -7.1537 1.5188 1.5188 1.5188 1.5188 2.6652 2.6652 2.6652 2.6652 2.9676 2.9676 2.9676 2.9676 8.1027 8.1027 8.1027 8.1027 8.5080 8.5080 8.5080 8.5080 k = 0.0000 0.5000 0.0142 ( 17570 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8980 -9.8980 -9.8980 -9.8980 -9.6193 -9.6193 -9.6193 -9.6193 -9.5063 -9.5063 -9.5063 -9.5063 -7.1536 -7.1536 -7.1536 -7.1536 1.5173 1.5173 1.5173 1.5173 2.6663 2.6663 2.6663 2.6663 2.9677 2.9677 2.9677 2.9677 8.0945 8.0945 8.0945 8.0945 8.5096 8.5096 8.5096 8.5096 k = 0.0000 0.5000 0.0284 ( 17572 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8982 -9.8982 -9.8982 -9.8982 -9.6194 -9.6194 -9.6194 -9.6194 -9.5062 -9.5062 -9.5062 -9.5062 -7.1532 -7.1532 -7.1532 -7.1532 1.5130 1.5130 1.5130 1.5130 2.6697 2.6697 2.6697 2.6697 2.9680 2.9680 2.9680 2.9680 8.0715 8.0715 8.0715 8.0715 8.5136 8.5136 8.5136 8.5136 k = 0.0000 0.5000 0.0425 ( 17584 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8984 -9.8984 -9.8984 -9.8984 -9.6194 -9.6194 -9.6194 -9.6194 -9.5061 -9.5061 -9.5061 -9.5061 -7.1526 -7.1526 -7.1526 -7.1526 1.5060 1.5060 1.5060 1.5060 2.6752 2.6752 2.6752 2.6752 2.9685 2.9685 2.9685 2.9685 8.0375 8.0375 8.0375 8.0375 8.5187 8.5187 8.5187 8.5187 k = 0.0000 0.5000 0.0567 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8988 -9.8988 -9.8988 -9.8988 -9.6195 -9.6195 -9.6195 -9.6195 -9.5059 -9.5059 -9.5059 -9.5059 -7.1517 -7.1517 -7.1517 -7.1517 1.4966 1.4966 1.4966 1.4966 2.6826 2.6826 2.6826 2.6826 2.9692 2.9692 2.9692 2.9692 7.9965 7.9965 7.9965 7.9965 8.5240 8.5240 8.5240 8.5240 k = 0.0000 0.5000 0.0709 ( 17568 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8993 -9.8993 -9.8993 -9.8993 -9.6196 -9.6196 -9.6196 -9.6196 -9.5057 -9.5057 -9.5057 -9.5057 -7.1506 -7.1506 -7.1506 -7.1506 1.4849 1.4849 1.4849 1.4849 2.6915 2.6915 2.6915 2.6915 2.9703 2.9703 2.9703 2.9703 7.9518 7.9518 7.9518 7.9518 8.5292 8.5292 8.5292 8.5292 k = 0.0000 0.5000 0.0851 ( 17584 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.8998 -9.8998 -9.8998 -9.8998 -9.6198 -9.6198 -9.6198 -9.6198 -9.5055 -9.5055 -9.5055 -9.5055 -7.1493 -7.1493 -7.1493 -7.1493 1.4715 1.4715 1.4715 1.4715 2.7017 2.7017 2.7017 2.7017 2.9716 2.9716 2.9716 2.9716 7.9058 7.9058 7.9058 7.9058 8.5340 8.5340 8.5340 8.5340 k = 0.0000 0.5000 0.0992 ( 17572 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9004 -9.9004 -9.9004 -9.9004 -9.6199 -9.6199 -9.6199 -9.6199 -9.5052 -9.5052 -9.5052 -9.5052 -7.1478 -7.1478 -7.1478 -7.1478 1.4565 1.4565 1.4565 1.4565 2.7127 2.7127 2.7127 2.7127 2.9732 2.9732 2.9732 2.9732 7.8600 7.8600 7.8600 7.8600 8.5388 8.5388 8.5388 8.5388 k = 0.0000 0.5000 0.1134 ( 17584 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9011 -9.9011 -9.9011 -9.9011 -9.6201 -9.6201 -9.6201 -9.6201 -9.5049 -9.5049 -9.5049 -9.5049 -7.1462 -7.1462 -7.1462 -7.1462 1.4405 1.4405 1.4405 1.4405 2.7242 2.7242 2.7242 2.7242 2.9752 2.9752 2.9752 2.9752 7.8155 7.8155 7.8155 7.8155 8.5434 8.5434 8.5434 8.5434 k = 0.0000 0.5000 0.1276 ( 17550 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9018 -9.9018 -9.9018 -9.9018 -9.6202 -9.6202 -9.6202 -9.6202 -9.5046 -9.5046 -9.5046 -9.5046 -7.1444 -7.1444 -7.1444 -7.1444 1.4238 1.4238 1.4238 1.4238 2.7358 2.7358 2.7358 2.7358 2.9777 2.9777 2.9777 2.9777 7.7729 7.7729 7.7729 7.7729 8.5480 8.5480 8.5480 8.5480 k = 0.0000 0.5000 0.1418 ( 17546 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9026 -9.9026 -9.9026 -9.9026 -9.6204 -9.6204 -9.6204 -9.6204 -9.5043 -9.5043 -9.5043 -9.5043 -7.1426 -7.1426 -7.1426 -7.1426 1.4067 1.4067 1.4067 1.4067 2.7472 2.7472 2.7472 2.7472 2.9805 2.9805 2.9805 2.9805 7.7328 7.7328 7.7328 7.7328 8.5525 8.5525 8.5525 8.5525 k = 0.0000 0.5000 0.1560 ( 17586 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9034 -9.9034 -9.9034 -9.9034 -9.6206 -9.6206 -9.6206 -9.6206 -9.5039 -9.5039 -9.5039 -9.5039 -7.1408 -7.1408 -7.1408 -7.1408 1.3897 1.3897 1.3897 1.3897 2.7581 2.7581 2.7581 2.7581 2.9837 2.9837 2.9837 2.9837 7.6954 7.6954 7.6954 7.6954 8.5570 8.5570 8.5570 8.5570 k = 0.0000 0.5000 0.1701 ( 17590 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9041 -9.9041 -9.9041 -9.9041 -9.6207 -9.6207 -9.6207 -9.6207 -9.5036 -9.5036 -9.5036 -9.5036 -7.1389 -7.1389 -7.1389 -7.1389 1.3731 1.3731 1.3731 1.3731 2.7683 2.7683 2.7683 2.7683 2.9874 2.9874 2.9874 2.9874 7.6610 7.6610 7.6610 7.6610 8.5615 8.5615 8.5615 8.5615 k = 0.0000 0.5000 0.1843 ( 17598 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9049 -9.9049 -9.9049 -9.9049 -9.6209 -9.6209 -9.6209 -9.6209 -9.5033 -9.5033 -9.5033 -9.5033 -7.1371 -7.1371 -7.1371 -7.1371 1.3572 1.3572 1.3572 1.3572 2.7775 2.7775 2.7775 2.7775 2.9913 2.9913 2.9913 2.9913 7.6298 7.6298 7.6298 7.6298 8.5657 8.5657 8.5657 8.5657 k = 0.0000 0.5000 0.1985 ( 17594 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9056 -9.9056 -9.9056 -9.9056 -9.6211 -9.6211 -9.6211 -9.6211 -9.5030 -9.5030 -9.5030 -9.5030 -7.1354 -7.1354 -7.1354 -7.1354 1.3421 1.3421 1.3421 1.3421 2.7857 2.7857 2.7857 2.7857 2.9954 2.9954 2.9954 2.9954 7.6017 7.6017 7.6017 7.6017 8.5698 8.5698 8.5698 8.5698 k = 0.0000 0.5000 0.2127 ( 17586 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9063 -9.9063 -9.9063 -9.9063 -9.6212 -9.6212 -9.6212 -9.6212 -9.5027 -9.5027 -9.5027 -9.5027 -7.1337 -7.1337 -7.1337 -7.1337 1.3283 1.3283 1.3283 1.3283 2.7928 2.7928 2.7928 2.7928 2.9996 2.9996 2.9996 2.9996 7.5770 7.5770 7.5770 7.5770 8.5737 8.5737 8.5737 8.5737 k = 0.0000 0.5000 0.2268 ( 17594 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9069 -9.9069 -9.9069 -9.9069 -9.6213 -9.6213 -9.6213 -9.6213 -9.5025 -9.5025 -9.5025 -9.5025 -7.1322 -7.1322 -7.1322 -7.1322 1.3159 1.3159 1.3159 1.3159 2.7988 2.7988 2.7988 2.7988 3.0036 3.0036 3.0036 3.0036 7.5555 7.5555 7.5555 7.5555 8.5771 8.5771 8.5771 8.5771 k = 0.0000 0.5000 0.2410 ( 17600 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9074 -9.9074 -9.9074 -9.9074 -9.6215 -9.6215 -9.6215 -9.6215 -9.5023 -9.5023 -9.5023 -9.5023 -7.1309 -7.1309 -7.1309 -7.1309 1.3051 1.3051 1.3051 1.3051 2.8037 2.8037 2.8037 2.8037 3.0074 3.0074 3.0074 3.0074 7.5373 7.5373 7.5373 7.5373 8.5802 8.5802 8.5802 8.5802 k = 0.0000 0.5000 0.2552 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9079 -9.9079 -9.9079 -9.9079 -9.6215 -9.6215 -9.6215 -9.6215 -9.5021 -9.5021 -9.5021 -9.5021 -7.1298 -7.1298 -7.1298 -7.1298 1.2960 1.2960 1.2960 1.2960 2.8076 2.8076 2.8076 2.8076 3.0108 3.0108 3.0108 3.0108 7.5224 7.5224 7.5224 7.5224 8.5828 8.5828 8.5828 8.5828 k = 0.0000 0.5000 0.2694 ( 17578 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9083 -9.9083 -9.9083 -9.9083 -9.6216 -9.6216 -9.6216 -9.6216 -9.5019 -9.5019 -9.5019 -9.5019 -7.1289 -7.1289 -7.1289 -7.1289 1.2889 1.2889 1.2889 1.2889 2.8106 2.8106 2.8106 2.8106 3.0136 3.0136 3.0136 3.0136 7.5109 7.5109 7.5109 7.5109 8.5849 8.5849 8.5849 8.5849 k = 0.0000 0.5000 0.2835 ( 17584 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9085 -9.9085 -9.9085 -9.9085 -9.6217 -9.6217 -9.6217 -9.6217 -9.5018 -9.5018 -9.5018 -9.5018 -7.1283 -7.1283 -7.1283 -7.1283 1.2837 1.2837 1.2837 1.2837 2.8127 2.8127 2.8127 2.8127 3.0157 3.0157 3.0157 3.0157 7.5026 7.5026 7.5026 7.5026 8.5865 8.5865 8.5865 8.5865 k = 0.0000 0.5000 0.2977 ( 17572 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9087 -9.9087 -9.9087 -9.9087 -9.6217 -9.6217 -9.6217 -9.6217 -9.5018 -9.5018 -9.5018 -9.5018 -7.1279 -7.1279 -7.1279 -7.1279 1.2805 1.2805 1.2805 1.2805 2.8139 2.8139 2.8139 2.8139 3.0170 3.0170 3.0170 3.0170 7.4977 7.4977 7.4977 7.4977 8.5874 8.5874 8.5874 8.5874 k = 0.0000 0.5000 0.3119 ( 17552 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1152 -26.1152 -26.1152 -26.1152 -9.9088 -9.9088 -9.9088 -9.9088 -9.6217 -9.6217 -9.6217 -9.6217 -9.5017 -9.5017 -9.5017 -9.5017 -7.1277 -7.1277 -7.1277 -7.1277 1.2795 1.2795 1.2795 1.2795 2.8143 2.8143 2.8143 2.8143 3.0175 3.0175 3.0175 3.0175 7.4960 7.4960 7.4960 7.4960 8.5877 8.5877 8.5877 8.5877 k = 0.5000 0.5000-0.0000 ( 17672 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8759 -9.8759 -9.8759 -9.8759 -9.6285 -9.6285 -9.6285 -9.6285 -9.5208 -9.5208 -9.5208 -9.5208 -7.1851 -7.1851 -7.1851 -7.1851 1.7436 1.7436 1.7436 1.7436 2.3462 2.3462 2.3462 2.3462 2.5297 2.5297 2.5297 2.5297 7.3987 7.3987 7.3987 7.3987 7.7123 7.7123 7.7123 7.7123 k = 0.5000 0.5000 0.0142 ( 17664 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8760 -9.8760 -9.8760 -9.8760 -9.6285 -9.6285 -9.6285 -9.6285 -9.5208 -9.5208 -9.5208 -9.5208 -7.1849 -7.1849 -7.1849 -7.1849 1.7434 1.7434 1.7434 1.7434 2.3459 2.3459 2.3459 2.3459 2.5287 2.5287 2.5287 2.5287 7.4030 7.4030 7.4030 7.4030 7.7141 7.7141 7.7141 7.7141 k = 0.5000 0.5000 0.0284 ( 17652 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8760 -9.8760 -9.8760 -9.8760 -9.6286 -9.6286 -9.6286 -9.6286 -9.5209 -9.5209 -9.5209 -9.5209 -7.1845 -7.1845 -7.1845 -7.1845 1.7430 1.7430 1.7430 1.7430 2.3450 2.3450 2.3450 2.3450 2.5260 2.5260 2.5260 2.5260 7.4158 7.4158 7.4158 7.4158 7.7196 7.7196 7.7196 7.7196 k = 0.5000 0.5000 0.0425 ( 17684 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8760 -9.8760 -9.8760 -9.8760 -9.6288 -9.6288 -9.6288 -9.6288 -9.5210 -9.5210 -9.5210 -9.5210 -7.1838 -7.1838 -7.1838 -7.1838 1.7423 1.7423 1.7423 1.7423 2.3434 2.3434 2.3434 2.3434 2.5216 2.5216 2.5216 2.5216 7.4370 7.4370 7.4370 7.4370 7.7287 7.7287 7.7287 7.7287 k = 0.5000 0.5000 0.0567 ( 17672 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8761 -9.8761 -9.8761 -9.8761 -9.6290 -9.6290 -9.6290 -9.6290 -9.5211 -9.5211 -9.5211 -9.5211 -7.1827 -7.1827 -7.1827 -7.1827 1.7413 1.7413 1.7413 1.7413 2.3411 2.3411 2.3411 2.3411 2.5157 2.5157 2.5157 2.5157 7.4664 7.4664 7.4664 7.4664 7.7413 7.7413 7.7413 7.7413 k = 0.5000 0.5000 0.0709 ( 17656 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8762 -9.8762 -9.8762 -9.8762 -9.6293 -9.6293 -9.6293 -9.6293 -9.5213 -9.5213 -9.5213 -9.5213 -7.1815 -7.1815 -7.1815 -7.1815 1.7401 1.7401 1.7401 1.7401 2.3380 2.3380 2.3380 2.3380 2.5087 2.5087 2.5087 2.5087 7.5035 7.5035 7.5035 7.5035 7.7573 7.7573 7.7573 7.7573 k = 0.5000 0.5000 0.0851 ( 17644 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8763 -9.8763 -9.8763 -9.8763 -9.6296 -9.6296 -9.6296 -9.6296 -9.5214 -9.5214 -9.5214 -9.5214 -7.1800 -7.1800 -7.1800 -7.1800 1.7386 1.7386 1.7386 1.7386 2.3340 2.3340 2.3340 2.3340 2.5009 2.5009 2.5009 2.5009 7.5480 7.5480 7.5480 7.5480 7.7765 7.7765 7.7765 7.7765 k = 0.5000 0.5000 0.0992 ( 17644 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8764 -9.8764 -9.8764 -9.8764 -9.6300 -9.6300 -9.6300 -9.6300 -9.5216 -9.5216 -9.5216 -9.5216 -7.1783 -7.1783 -7.1783 -7.1783 1.7369 1.7369 1.7369 1.7369 2.3290 2.3290 2.3290 2.3290 2.4926 2.4926 2.4926 2.4926 7.5994 7.5994 7.5994 7.5994 7.7988 7.7988 7.7988 7.7988 k = 0.5000 0.5000 0.1134 ( 17668 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8765 -9.8765 -9.8765 -9.8765 -9.6304 -9.6304 -9.6304 -9.6304 -9.5218 -9.5218 -9.5218 -9.5218 -7.1764 -7.1764 -7.1764 -7.1764 1.7351 1.7351 1.7351 1.7351 2.3229 2.3229 2.3229 2.3229 2.4843 2.4843 2.4843 2.4843 7.6570 7.6570 7.6570 7.6570 7.8238 7.8238 7.8238 7.8238 k = 0.5000 0.5000 0.1276 ( 17668 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8766 -9.8766 -9.8766 -9.8766 -9.6308 -9.6308 -9.6308 -9.6308 -9.5221 -9.5221 -9.5221 -9.5221 -7.1745 -7.1745 -7.1745 -7.1745 1.7332 1.7332 1.7332 1.7332 2.3157 2.3157 2.3157 2.3157 2.4763 2.4763 2.4763 2.4763 7.7201 7.7201 7.7201 7.7201 7.8513 7.8513 7.8513 7.8513 k = 0.5000 0.5000 0.1418 ( 17684 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8767 -9.8767 -9.8767 -9.8767 -9.6312 -9.6312 -9.6312 -9.6312 -9.5223 -9.5223 -9.5223 -9.5223 -7.1724 -7.1724 -7.1724 -7.1724 1.7312 1.7312 1.7312 1.7312 2.3073 2.3073 2.3073 2.3073 2.4690 2.4690 2.4690 2.4690 7.7878 7.7878 7.7878 7.7878 7.8809 7.8809 7.8809 7.8809 k = 0.5000 0.5000 0.1560 ( 17680 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8769 -9.8769 -9.8769 -9.8769 -9.6317 -9.6317 -9.6317 -9.6317 -9.5225 -9.5225 -9.5225 -9.5225 -7.1703 -7.1703 -7.1703 -7.1703 1.7291 1.7291 1.7291 1.7291 2.2981 2.2981 2.2981 2.2981 2.4624 2.4624 2.4624 2.4624 7.8591 7.8591 7.8591 7.8591 7.9127 7.9127 7.9127 7.9127 k = 0.5000 0.5000 0.1701 ( 17672 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8770 -9.8770 -9.8770 -9.8770 -9.6322 -9.6322 -9.6322 -9.6322 -9.5228 -9.5228 -9.5228 -9.5228 -7.1682 -7.1682 -7.1682 -7.1682 1.7270 1.7270 1.7270 1.7270 2.2881 2.2881 2.2881 2.2881 2.4568 2.4568 2.4568 2.4568 7.9296 7.9296 7.9296 7.9296 7.9492 7.9492 7.9492 7.9492 k = 0.5000 0.5000 0.1843 ( 17664 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8771 -9.8771 -9.8771 -9.8771 -9.6326 -9.6326 -9.6326 -9.6326 -9.5230 -9.5230 -9.5230 -9.5230 -7.1661 -7.1661 -7.1661 -7.1661 1.7250 1.7250 1.7250 1.7250 2.2778 2.2778 2.2778 2.2778 2.4520 2.4520 2.4520 2.4520 7.9737 7.9737 7.9737 7.9737 8.0145 8.0145 8.0145 8.0145 k = 0.5000 0.5000 0.1985 ( 17640 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8773 -9.8773 -9.8773 -9.8773 -9.6330 -9.6330 -9.6330 -9.6330 -9.5232 -9.5232 -9.5232 -9.5232 -7.1641 -7.1641 -7.1641 -7.1641 1.7230 1.7230 1.7230 1.7230 2.2674 2.2674 2.2674 2.2674 2.4481 2.4481 2.4481 2.4481 8.0074 8.0074 8.0074 8.0074 8.0907 8.0907 8.0907 8.0907 k = 0.5000 0.5000 0.2127 ( 17648 PWs) bands (ev): -41.3661 -41.3661 -41.3661 -41.3661 -26.1127 -26.1127 -26.1127 -26.1127 -9.8774 -9.8774 -9.8774 -9.8774 -9.6334 -9.6334 -9.6334 -9.6334 -9.5234 -9.5234 -9.5234 -9.5234 -7.1623 -7.1623 -7.1623 -7.1623 1.7212 1.7212 1.7212 1.7212 2.2572 2.2572 2.2572 2.2572 2.4449 2.4449 2.4449 2.4449 8.0393 8.0393 8.0393 8.0393 8.1668 8.1668 8.1668 8.1668 k = 0.5000 0.5000 0.2268 ( 17620 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8775 -9.8775 -9.8775 -9.8775 -9.6338 -9.6338 -9.6338 -9.6338 -9.5236 -9.5236 -9.5236 -9.5236 -7.1606 -7.1606 -7.1606 -7.1606 1.7195 1.7195 1.7195 1.7195 2.2478 2.2478 2.2478 2.2478 2.4424 2.4424 2.4424 2.4424 8.0695 8.0695 8.0695 8.0695 8.2404 8.2404 8.2404 8.2404 k = 0.5000 0.5000 0.2410 ( 17592 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8776 -9.8776 -9.8776 -9.8776 -9.6341 -9.6341 -9.6341 -9.6341 -9.5238 -9.5238 -9.5238 -9.5238 -7.1591 -7.1591 -7.1591 -7.1591 1.7180 1.7180 1.7180 1.7180 2.2392 2.2392 2.2392 2.2392 2.4404 2.4404 2.4404 2.4404 8.0970 8.0970 8.0970 8.0970 8.3093 8.3093 8.3093 8.3093 k = 0.5000 0.5000 0.2552 ( 17596 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8777 -9.8777 -9.8777 -9.8777 -9.6344 -9.6344 -9.6344 -9.6344 -9.5239 -9.5239 -9.5239 -9.5239 -7.1578 -7.1578 -7.1578 -7.1578 1.7167 1.7167 1.7167 1.7167 2.2319 2.2319 2.2319 2.2319 2.4389 2.4389 2.4389 2.4389 8.1211 8.1211 8.1211 8.1211 8.3713 8.3713 8.3713 8.3713 k = 0.5000 0.5000 0.2694 ( 17572 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8777 -9.8777 -9.8777 -9.8777 -9.6346 -9.6346 -9.6346 -9.6346 -9.5240 -9.5240 -9.5240 -9.5240 -7.1568 -7.1568 -7.1568 -7.1568 1.7157 1.7157 1.7157 1.7157 2.2260 2.2260 2.2260 2.2260 2.4378 2.4378 2.4378 2.4378 8.1408 8.1408 8.1408 8.1408 8.4236 8.4236 8.4236 8.4236 k = 0.5000 0.5000 0.2835 ( 17564 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8778 -9.8778 -9.6348 -9.6348 -9.6348 -9.6348 -9.5241 -9.5241 -9.5241 -9.5241 -7.1561 -7.1561 -7.1561 -7.1561 1.7149 1.7149 1.7149 1.7149 2.2216 2.2216 2.2216 2.2216 2.4370 2.4370 2.4370 2.4370 8.1556 8.1556 8.1556 8.1556 8.4636 8.4636 8.4636 8.4636 k = 0.5000 0.5000 0.2977 ( 17544 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8778 -9.8778 -9.6349 -9.6349 -9.6349 -9.6349 -9.5242 -9.5242 -9.5242 -9.5242 -7.1556 -7.1556 -7.1556 -7.1556 1.7145 1.7145 1.7145 1.7145 2.2190 2.2190 2.2190 2.2190 2.4366 2.4366 2.4366 2.4366 8.1647 8.1647 8.1647 8.1647 8.4888 8.4888 8.4888 8.4888 k = 0.5000 0.5000 0.3119 ( 17568 PWs) bands (ev): -41.3660 -41.3660 -41.3660 -41.3660 -26.1127 -26.1127 -26.1127 -26.1127 -9.8778 -9.8778 -9.8778 -9.8778 -9.6349 -9.6349 -9.6349 -9.6349 -9.5242 -9.5242 -9.5242 -9.5242 -7.1555 -7.1555 -7.1555 -7.1555 1.7143 1.7143 1.7143 1.7143 2.2181 2.2181 2.2181 2.2181 2.4364 2.4364 2.4364 2.4364 8.1678 8.1678 8.1678 8.1678 8.4974 8.4974 8.4974 8.4974 Writing output data file KLiSe.save init_run : 0.35s CPU 0.50s WALL ( 1 calls) electrons : 289.82s CPU 292.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 289.82s CPU 292.55s 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 : 0.06s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.23s WALL ( 315 calls) cegterg : 255.45s CPU 257.14s WALL ( 443 calls) Called by sum_band: Called by *egterg: h_psi : 188.76s CPU 190.11s WALL ( 7041 calls) s_psi : 7.27s CPU 7.55s WALL ( 7041 calls) g_psi : 0.81s CPU 0.76s WALL ( 6283 calls) cdiaghg : 39.70s CPU 40.18s WALL ( 6598 calls) cegterg:over : 15.24s CPU 15.22s WALL ( 6283 calls) cegterg:upda : 16.59s CPU 16.53s WALL ( 6283 calls) cegterg:last : 7.91s CPU 7.94s WALL ( 1088 calls) cdiaghg:chol : 2.31s CPU 2.38s WALL ( 6598 calls) cdiaghg:inve : 1.28s CPU 1.38s WALL ( 6598 calls) cdiaghg:para : 2.36s CPU 2.37s WALL ( 13196 calls) Called by h_psi: h_psi:vloc : 171.21s CPU 172.52s WALL ( 7041 calls) h_psi:vnl : 16.64s CPU 16.75s WALL ( 7041 calls) add_vuspsi : 7.88s CPU 7.88s WALL ( 7041 calls) General routines calbec : 8.74s CPU 8.85s WALL ( 7041 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 161.98s CPU 163.15s WALL ( 645012 calls) davcio : 0.40s CPU 0.75s WALL ( 630 calls) Parallel routines fft_scatter : 48.16s CPU 48.61s WALL ( 645027 calls) PWSCF : 5m25.45s CPU 5m42.80s WALL This run was terminated on: 20:19:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=