Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:14:15 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: ./KMgP.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 60 36 10 3577 1686 262 Max 62 37 11 3581 1731 269 Sum 2177 1321 377 128833 61597 9517 bravais-lattice index = 14 lattice parameter (alat) = 8.4017 a.u. unit-cell volume = 1006.3223 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.401722 celldm(2)= 1.000000 celldm(3)= 1.696806 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 1.696806 ) 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 0.589343 ) PseudoPot. # 1 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 PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Mg 10.00 24.30500 Mg( 1.00) P 5.00 30.97380 P( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4900000 0.4900000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4800000 0.4800000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4700000 0.4700000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4300000 0.4300000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4200000 0.4200000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031646 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0031646 k( 88) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0031646 k( 89) = ( 0.3600000 0.3600000 -0.0000000), wk = 0.0031646 k( 90) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0031646 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0031646 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031646 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031646 k( 94) = ( 0.3100000 0.3100000 -0.0000000), wk = 0.0031646 k( 95) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0031646 k( 96) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0031646 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031646 k( 98) = ( 0.2700000 0.2700000 -0.0000000), wk = 0.0031646 k( 99) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0031646 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 101) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0031646 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0031646 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0031646 k( 104) = ( 0.2100000 0.2100000 -0.0000000), wk = 0.0031646 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031646 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0031646 k( 107) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0031646 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0031646 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031646 k( 110) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0031646 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031646 k( 112) = ( 0.1300000 0.1300000 -0.0000000), wk = 0.0031646 k( 113) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0031646 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031646 k( 116) = ( 0.0900000 0.0900000 -0.0000000), wk = 0.0031646 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031646 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0031646 k( 119) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0031646 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031646 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031646 k( 122) = ( 0.0300000 0.0300000 -0.0000000), wk = 0.0031646 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031646 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.0140320), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.0280639), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.0420959), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.0561279), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.0701598), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.0841918), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.0982238), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.1122557), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.1262877), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.1403196), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.1543516), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.1683836), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.1824155), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.1964475), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.2104795), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.2245114), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.2385434), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.2525754), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.2666073), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.2806393), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.2946713), wk = 0.0031646 k( 148) = ( 0.0000000 0.0000000 0.2946713), wk = 0.0031646 k( 149) = ( 0.0000000 0.0138889 0.2946713), wk = 0.0031646 k( 150) = ( 0.0000000 0.0277778 0.2946713), wk = 0.0031646 k( 151) = ( 0.0000000 0.0416667 0.2946713), wk = 0.0031646 k( 152) = ( 0.0000000 0.0555556 0.2946713), wk = 0.0031646 k( 153) = ( 0.0000000 0.0694444 0.2946713), wk = 0.0031646 k( 154) = ( 0.0000000 0.0833333 0.2946713), wk = 0.0031646 k( 155) = ( 0.0000000 0.0972222 0.2946713), wk = 0.0031646 k( 156) = ( 0.0000000 0.1111111 0.2946713), wk = 0.0031646 k( 157) = ( 0.0000000 0.1250000 0.2946713), wk = 0.0031646 k( 158) = ( 0.0000000 0.1388889 0.2946713), wk = 0.0031646 k( 159) = ( 0.0000000 0.1527778 0.2946713), wk = 0.0031646 k( 160) = ( 0.0000000 0.1666667 0.2946713), wk = 0.0031646 k( 161) = ( 0.0000000 0.1805556 0.2946713), wk = 0.0031646 k( 162) = ( 0.0000000 0.1944444 0.2946713), wk = 0.0031646 k( 163) = ( 0.0000000 0.2083333 0.2946713), wk = 0.0031646 k( 164) = ( 0.0000000 0.2222222 0.2946713), wk = 0.0031646 k( 165) = ( 0.0000000 0.2361111 0.2946713), wk = 0.0031646 k( 166) = ( 0.0000000 0.2500000 0.2946713), wk = 0.0031646 k( 167) = ( 0.0000000 0.2638889 0.2946713), wk = 0.0031646 k( 168) = ( 0.0000000 0.2777778 0.2946713), wk = 0.0031646 k( 169) = ( 0.0000000 0.2916667 0.2946713), wk = 0.0031646 k( 170) = ( 0.0000000 0.3055556 0.2946713), wk = 0.0031646 k( 171) = ( 0.0000000 0.3194444 0.2946713), wk = 0.0031646 k( 172) = ( 0.0000000 0.3333333 0.2946713), wk = 0.0031646 k( 173) = ( 0.0000000 0.3472222 0.2946713), wk = 0.0031646 k( 174) = ( 0.0000000 0.3611111 0.2946713), wk = 0.0031646 k( 175) = ( 0.0000000 0.3750000 0.2946713), wk = 0.0031646 k( 176) = ( 0.0000000 0.3888889 0.2946713), wk = 0.0031646 k( 177) = ( 0.0000000 0.4027778 0.2946713), wk = 0.0031646 k( 178) = ( 0.0000000 0.4166667 0.2946713), wk = 0.0031646 k( 179) = ( 0.0000000 0.4305556 0.2946713), wk = 0.0031646 k( 180) = ( 0.0000000 0.4444444 0.2946713), wk = 0.0031646 k( 181) = ( 0.0000000 0.4583333 0.2946713), wk = 0.0031646 k( 182) = ( 0.0000000 0.4722222 0.2946713), wk = 0.0031646 k( 183) = ( 0.0000000 0.4861111 0.2946713), wk = 0.0031646 k( 184) = ( 0.0000000 0.5000000 0.2946713), wk = 0.0031646 k( 185) = ( 0.0000000 0.5000000 0.2946713), wk = 0.0031646 k( 186) = ( 0.0138889 0.5000000 0.2946713), wk = 0.0031646 k( 187) = ( 0.0277778 0.5000000 0.2946713), wk = 0.0031646 k( 188) = ( 0.0416667 0.5000000 0.2946713), wk = 0.0031646 k( 189) = ( 0.0555556 0.5000000 0.2946713), wk = 0.0031646 k( 190) = ( 0.0694444 0.5000000 0.2946713), wk = 0.0031646 k( 191) = ( 0.0833333 0.5000000 0.2946713), wk = 0.0031646 k( 192) = ( 0.0972222 0.5000000 0.2946713), wk = 0.0031646 k( 193) = ( 0.1111111 0.5000000 0.2946713), wk = 0.0031646 k( 194) = ( 0.1250000 0.5000000 0.2946713), wk = 0.0031646 k( 195) = ( 0.1388889 0.5000000 0.2946713), wk = 0.0031646 k( 196) = ( 0.1527778 0.5000000 0.2946713), wk = 0.0031646 k( 197) = ( 0.1666667 0.5000000 0.2946713), wk = 0.0031646 k( 198) = ( 0.1805556 0.5000000 0.2946713), wk = 0.0031646 k( 199) = ( 0.1944444 0.5000000 0.2946713), wk = 0.0031646 k( 200) = ( 0.2083333 0.5000000 0.2946713), wk = 0.0031646 k( 201) = ( 0.2222222 0.5000000 0.2946713), wk = 0.0031646 k( 202) = ( 0.2361111 0.5000000 0.2946713), wk = 0.0031646 k( 203) = ( 0.2500000 0.5000000 0.2946713), wk = 0.0031646 k( 204) = ( 0.2638889 0.5000000 0.2946713), wk = 0.0031646 k( 205) = ( 0.2777778 0.5000000 0.2946713), wk = 0.0031646 k( 206) = ( 0.2916667 0.5000000 0.2946713), wk = 0.0031646 k( 207) = ( 0.3055556 0.5000000 0.2946713), wk = 0.0031646 k( 208) = ( 0.3194444 0.5000000 0.2946713), wk = 0.0031646 k( 209) = ( 0.3333333 0.5000000 0.2946713), wk = 0.0031646 k( 210) = ( 0.3472222 0.5000000 0.2946713), wk = 0.0031646 k( 211) = ( 0.3611111 0.5000000 0.2946713), wk = 0.0031646 k( 212) = ( 0.3750000 0.5000000 0.2946713), wk = 0.0031646 k( 213) = ( 0.3888889 0.5000000 0.2946713), wk = 0.0031646 k( 214) = ( 0.4027778 0.5000000 0.2946713), wk = 0.0031646 k( 215) = ( 0.4166667 0.5000000 0.2946713), wk = 0.0031646 k( 216) = ( 0.4305556 0.5000000 0.2946713), wk = 0.0031646 k( 217) = ( 0.4444444 0.5000000 0.2946713), wk = 0.0031646 k( 218) = ( 0.4583333 0.5000000 0.2946713), wk = 0.0031646 k( 219) = ( 0.4722222 0.5000000 0.2946713), wk = 0.0031646 k( 220) = ( 0.4861111 0.5000000 0.2946713), wk = 0.0031646 k( 221) = ( 0.5000000 0.5000000 0.2946713), wk = 0.0031646 k( 222) = ( 0.5000000 0.5000000 0.2946713), wk = 0.0031646 k( 223) = ( 0.4900000 0.4900000 0.2946713), wk = 0.0031646 k( 224) = ( 0.4800000 0.4800000 0.2946713), wk = 0.0031646 k( 225) = ( 0.4700000 0.4700000 0.2946713), wk = 0.0031646 k( 226) = ( 0.4600000 0.4600000 0.2946713), wk = 0.0031646 k( 227) = ( 0.4500000 0.4500000 0.2946713), wk = 0.0031646 k( 228) = ( 0.4400000 0.4400000 0.2946713), wk = 0.0031646 k( 229) = ( 0.4300000 0.4300000 0.2946713), wk = 0.0031646 k( 230) = ( 0.4200000 0.4200000 0.2946713), wk = 0.0031646 k( 231) = ( 0.4100000 0.4100000 0.2946713), wk = 0.0031646 k( 232) = ( 0.4000000 0.4000000 0.2946713), wk = 0.0031646 k( 233) = ( 0.3900000 0.3900000 0.2946713), wk = 0.0031646 k( 234) = ( 0.3800000 0.3800000 0.2946713), wk = 0.0031646 k( 235) = ( 0.3700000 0.3700000 0.2946713), wk = 0.0031646 k( 236) = ( 0.3600000 0.3600000 0.2946713), wk = 0.0031646 k( 237) = ( 0.3500000 0.3500000 0.2946713), wk = 0.0031646 k( 238) = ( 0.3400000 0.3400000 0.2946713), wk = 0.0031646 k( 239) = ( 0.3300000 0.3300000 0.2946713), wk = 0.0031646 k( 240) = ( 0.3200000 0.3200000 0.2946713), wk = 0.0031646 k( 241) = ( 0.3100000 0.3100000 0.2946713), wk = 0.0031646 k( 242) = ( 0.3000000 0.3000000 0.2946713), wk = 0.0031646 k( 243) = ( 0.2900000 0.2900000 0.2946713), wk = 0.0031646 k( 244) = ( 0.2800000 0.2800000 0.2946713), wk = 0.0031646 k( 245) = ( 0.2700000 0.2700000 0.2946713), wk = 0.0031646 k( 246) = ( 0.2600000 0.2600000 0.2946713), wk = 0.0031646 k( 247) = ( 0.2500000 0.2500000 0.2946713), wk = 0.0031646 k( 248) = ( 0.2400000 0.2400000 0.2946713), wk = 0.0031646 k( 249) = ( 0.2300000 0.2300000 0.2946713), wk = 0.0031646 k( 250) = ( 0.2200000 0.2200000 0.2946713), wk = 0.0031646 k( 251) = ( 0.2100000 0.2100000 0.2946713), wk = 0.0031646 k( 252) = ( 0.2000000 0.2000000 0.2946713), wk = 0.0031646 k( 253) = ( 0.1900000 0.1900000 0.2946713), wk = 0.0031646 k( 254) = ( 0.1800000 0.1800000 0.2946713), wk = 0.0031646 k( 255) = ( 0.1700000 0.1700000 0.2946713), wk = 0.0031646 k( 256) = ( 0.1600000 0.1600000 0.2946713), wk = 0.0031646 k( 257) = ( 0.1500000 0.1500000 0.2946713), wk = 0.0031646 k( 258) = ( 0.1400000 0.1400000 0.2946713), wk = 0.0031646 k( 259) = ( 0.1300000 0.1300000 0.2946713), wk = 0.0031646 k( 260) = ( 0.1200000 0.1200000 0.2946713), wk = 0.0031646 k( 261) = ( 0.1100000 0.1100000 0.2946713), wk = 0.0031646 k( 262) = ( 0.1000000 0.1000000 0.2946713), wk = 0.0031646 k( 263) = ( 0.0900000 0.0900000 0.2946713), wk = 0.0031646 k( 264) = ( 0.0800000 0.0800000 0.2946713), wk = 0.0031646 k( 265) = ( 0.0700000 0.0700000 0.2946713), wk = 0.0031646 k( 266) = ( 0.0600000 0.0600000 0.2946713), wk = 0.0031646 k( 267) = ( 0.0500000 0.0500000 0.2946713), wk = 0.0031646 k( 268) = ( 0.0400000 0.0400000 0.2946713), wk = 0.0031646 k( 269) = ( 0.0300000 0.0300000 0.2946713), wk = 0.0031646 k( 270) = ( 0.0200000 0.0200000 0.2946713), wk = 0.0031646 k( 271) = ( 0.0100000 0.0100000 0.2946713), wk = 0.0031646 k( 272) = ( 0.0000000 0.0000000 0.2946713), wk = 0.0031646 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0140320), wk = 0.0031646 k( 275) = ( 0.0000000 0.5000000 0.0280639), wk = 0.0031646 k( 276) = ( 0.0000000 0.5000000 0.0420959), wk = 0.0031646 k( 277) = ( 0.0000000 0.5000000 0.0561279), wk = 0.0031646 k( 278) = ( 0.0000000 0.5000000 0.0701598), wk = 0.0031646 k( 279) = ( 0.0000000 0.5000000 0.0841918), wk = 0.0031646 k( 280) = ( 0.0000000 0.5000000 0.0982238), wk = 0.0031646 k( 281) = ( 0.0000000 0.5000000 0.1122557), wk = 0.0031646 k( 282) = ( 0.0000000 0.5000000 0.1262877), wk = 0.0031646 k( 283) = ( 0.0000000 0.5000000 0.1403196), wk = 0.0031646 k( 284) = ( 0.0000000 0.5000000 0.1543516), wk = 0.0031646 k( 285) = ( 0.0000000 0.5000000 0.1683836), wk = 0.0031646 k( 286) = ( 0.0000000 0.5000000 0.1824155), wk = 0.0031646 k( 287) = ( 0.0000000 0.5000000 0.1964475), wk = 0.0031646 k( 288) = ( 0.0000000 0.5000000 0.2104795), wk = 0.0031646 k( 289) = ( 0.0000000 0.5000000 0.2245114), wk = 0.0031646 k( 290) = ( 0.0000000 0.5000000 0.2385434), wk = 0.0031646 k( 291) = ( 0.0000000 0.5000000 0.2525754), wk = 0.0031646 k( 292) = ( 0.0000000 0.5000000 0.2666073), wk = 0.0031646 k( 293) = ( 0.0000000 0.5000000 0.2806393), wk = 0.0031646 k( 294) = ( 0.0000000 0.5000000 0.2946713), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.0140320), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.0280639), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.0420959), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.0561279), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.0701598), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.0841918), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.0982238), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.1122557), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.1262877), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.1403196), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.1543516), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.1683836), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.1824155), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.1964475), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.2104795), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.2245114), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.2385434), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.2525754), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.2666073), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.2806393), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.2946713), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0031646 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0031646 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0031646 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0031646 k( 77) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4600000 0.4600000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4400000 0.4400000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0031646 k( 84) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0031646 k( 85) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0031646 k( 87) = ( 0.3800000 0.3800000 -0.0000000), wk = 0.0031646 k( 88) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0031646 k( 89) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0031646 k( 90) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0031646 k( 91) = ( 0.3400000 0.3400000 -0.0000000), wk = 0.0031646 k( 92) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0031646 k( 93) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0031646 k( 94) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0031646 k( 95) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0031646 k( 96) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0031646 k( 97) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0031646 k( 98) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0031646 k( 99) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0031646 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 101) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0031646 k( 102) = ( 0.2300000 0.2300000 -0.0000000), wk = 0.0031646 k( 103) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0031646 k( 104) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0031646 k( 105) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0031646 k( 106) = ( 0.1900000 0.1900000 -0.0000000), wk = 0.0031646 k( 107) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0031646 k( 108) = ( 0.1700000 0.1700000 -0.0000000), wk = 0.0031646 k( 109) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0031646 k( 110) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0031646 k( 111) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0031646 k( 112) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0031646 k( 113) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0031646 k( 114) = ( 0.1100000 0.1100000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0031646 k( 116) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0031646 k( 117) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0031646 k( 118) = ( 0.0700000 0.0700000 -0.0000000), wk = 0.0031646 k( 119) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0031646 k( 120) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0031646 k( 121) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0031646 k( 122) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0031646 k( 123) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0031646 k( 124) = ( 0.0100000 0.0100000 -0.0000000), wk = 0.0031646 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 127) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0031646 k( 128) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0031646 k( 129) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031646 k( 130) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0031646 k( 131) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0031646 k( 132) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031646 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031646 k( 134) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0031646 k( 135) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031646 k( 136) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0031646 k( 137) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0031646 k( 138) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 149) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0031646 k( 150) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0031646 k( 151) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0031646 k( 152) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0031646 k( 153) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0031646 k( 154) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0031646 k( 155) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0031646 k( 156) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0031646 k( 157) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0031646 k( 158) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0031646 k( 159) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0031646 k( 160) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0031646 k( 161) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0031646 k( 162) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0031646 k( 163) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0031646 k( 164) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0031646 k( 165) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0031646 k( 166) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0031646 k( 167) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0031646 k( 168) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0031646 k( 169) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0031646 k( 170) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0031646 k( 171) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0031646 k( 172) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0031646 k( 173) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0031646 k( 174) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0031646 k( 175) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0031646 k( 176) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0031646 k( 177) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0031646 k( 178) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0031646 k( 179) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0031646 k( 180) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0031646 k( 181) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0031646 k( 182) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0031646 k( 183) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0031646 k( 184) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 185) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 186) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0031646 k( 187) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0031646 k( 188) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0031646 k( 189) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0031646 k( 190) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0031646 k( 191) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0031646 k( 192) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0031646 k( 193) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0031646 k( 194) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0031646 k( 195) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0031646 k( 196) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0031646 k( 197) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0031646 k( 198) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0031646 k( 199) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0031646 k( 200) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0031646 k( 201) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0031646 k( 202) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0031646 k( 203) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0031646 k( 204) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0031646 k( 205) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0031646 k( 206) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0031646 k( 207) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0031646 k( 208) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0031646 k( 209) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0031646 k( 210) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0031646 k( 211) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0031646 k( 212) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0031646 k( 213) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0031646 k( 214) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0031646 k( 215) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0031646 k( 218) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0031646 k( 219) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0031646 k( 220) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0031646 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 223) = ( 0.4900000 0.4900000 0.5000000), wk = 0.0031646 k( 224) = ( 0.4800000 0.4800000 0.5000000), wk = 0.0031646 k( 225) = ( 0.4700000 0.4700000 0.5000000), wk = 0.0031646 k( 226) = ( 0.4600000 0.4600000 0.5000000), wk = 0.0031646 k( 227) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0031646 k( 228) = ( 0.4400000 0.4400000 0.5000000), wk = 0.0031646 k( 229) = ( 0.4300000 0.4300000 0.5000000), wk = 0.0031646 k( 230) = ( 0.4200000 0.4200000 0.5000000), wk = 0.0031646 k( 231) = ( 0.4100000 0.4100000 0.5000000), wk = 0.0031646 k( 232) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0031646 k( 233) = ( 0.3900000 0.3900000 0.5000000), wk = 0.0031646 k( 234) = ( 0.3800000 0.3800000 0.5000000), wk = 0.0031646 k( 235) = ( 0.3700000 0.3700000 0.5000000), wk = 0.0031646 k( 236) = ( 0.3600000 0.3600000 0.5000000), wk = 0.0031646 k( 237) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0031646 k( 238) = ( 0.3400000 0.3400000 0.5000000), wk = 0.0031646 k( 239) = ( 0.3300000 0.3300000 0.5000000), wk = 0.0031646 k( 240) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0031646 k( 241) = ( 0.3100000 0.3100000 0.5000000), wk = 0.0031646 k( 242) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0031646 k( 243) = ( 0.2900000 0.2900000 0.5000000), wk = 0.0031646 k( 244) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0031646 k( 245) = ( 0.2700000 0.2700000 0.5000000), wk = 0.0031646 k( 246) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0031646 k( 247) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031646 k( 248) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0031646 k( 249) = ( 0.2300000 0.2300000 0.5000000), wk = 0.0031646 k( 250) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0031646 k( 251) = ( 0.2100000 0.2100000 0.5000000), wk = 0.0031646 k( 252) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0031646 k( 253) = ( 0.1900000 0.1900000 0.5000000), wk = 0.0031646 k( 254) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0031646 k( 255) = ( 0.1700000 0.1700000 0.5000000), wk = 0.0031646 k( 256) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0031646 k( 257) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0031646 k( 258) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0031646 k( 259) = ( 0.1300000 0.1300000 0.5000000), wk = 0.0031646 k( 260) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0031646 k( 261) = ( 0.1100000 0.1100000 0.5000000), wk = 0.0031646 k( 262) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0031646 k( 263) = ( 0.0900000 0.0900000 0.5000000), wk = 0.0031646 k( 264) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0031646 k( 265) = ( 0.0700000 0.0700000 0.5000000), wk = 0.0031646 k( 266) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0031646 k( 267) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0031646 k( 268) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0031646 k( 269) = ( 0.0300000 0.0300000 0.5000000), wk = 0.0031646 k( 270) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0031646 k( 271) = ( 0.0100000 0.0100000 0.5000000), wk = 0.0031646 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0031646 k( 275) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0031646 k( 276) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0031646 k( 277) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0031646 k( 278) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0031646 k( 279) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0031646 k( 280) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0031646 k( 281) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0031646 k( 282) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0031646 k( 283) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0031646 k( 284) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0031646 k( 285) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0031646 k( 286) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0031646 k( 287) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0031646 k( 288) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0031646 k( 289) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0031646 k( 290) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0031646 k( 291) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0031646 k( 292) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0031646 k( 293) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0031646 k( 294) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 128833 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 61597 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 450, 58) NL pseudopotentials 0.56 Mb ( 225, 164) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3579) G-vector shells 0.01 Mb ( 1703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.59 Mb ( 450, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./KMgP.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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.8 secs Computing kpt #: 12 total cpu time spent up to now is 11.6 secs Computing kpt #: 13 total cpu time spent up to now is 12.2 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.3 secs Computing kpt #: 18 total cpu time spent up to now is 16.1 secs Computing kpt #: 19 total cpu time spent up to now is 16.8 secs Computing kpt #: 20 total cpu time spent up to now is 17.6 secs Computing kpt #: 21 total cpu time spent up to now is 18.4 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 19.9 secs Computing kpt #: 24 total cpu time spent up to now is 20.7 secs Computing kpt #: 25 total cpu time spent up to now is 21.4 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 23.0 secs Computing kpt #: 28 total cpu time spent up to now is 23.8 secs Computing kpt #: 29 total cpu time spent up to now is 24.5 secs Computing kpt #: 30 total cpu time spent up to now is 25.3 secs Computing kpt #: 31 total cpu time spent up to now is 26.1 secs Computing kpt #: 32 total cpu time spent up to now is 26.9 secs Computing kpt #: 33 total cpu time spent up to now is 27.7 secs Computing kpt #: 34 total cpu time spent up to now is 28.4 secs Computing kpt #: 35 total cpu time spent up to now is 29.2 secs Computing kpt #: 36 total cpu time spent up to now is 30.0 secs Computing kpt #: 37 total cpu time spent up to now is 30.8 secs Computing kpt #: 38 total cpu time spent up to now is 31.6 secs Computing kpt #: 39 total cpu time spent up to now is 32.4 secs Computing kpt #: 40 total cpu time spent up to now is 33.1 secs Computing kpt #: 41 total cpu time spent up to now is 33.9 secs Computing kpt #: 42 total cpu time spent up to now is 34.7 secs Computing kpt #: 43 total cpu time spent up to now is 35.5 secs Computing kpt #: 44 total cpu time spent up to now is 36.3 secs Computing kpt #: 45 total cpu time spent up to now is 37.0 secs Computing kpt #: 46 total cpu time spent up to now is 37.8 secs Computing kpt #: 47 total cpu time spent up to now is 38.6 secs Computing kpt #: 48 total cpu time spent up to now is 39.4 secs Computing kpt #: 49 total cpu time spent up to now is 40.1 secs Computing kpt #: 50 total cpu time spent up to now is 40.9 secs Computing kpt #: 51 total cpu time spent up to now is 41.7 secs Computing kpt #: 52 total cpu time spent up to now is 42.5 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.2 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.2 secs Computing kpt #: 56 total cpu time spent up to now is 47.0 secs Computing kpt #: 57 total cpu time spent up to now is 48.9 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.8 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.8 secs Computing kpt #: 62 total cpu time spent up to now is 57.8 secs Computing kpt #: 63 total cpu time spent up to now is 58.6 secs Computing kpt #: 64 total cpu time spent up to now is 59.3 secs Computing kpt #: 65 total cpu time spent up to now is 60.0 secs Computing kpt #: 66 total cpu time spent up to now is 60.8 secs Computing kpt #: 67 total cpu time spent up to now is 61.5 secs Computing kpt #: 68 total cpu time spent up to now is 62.3 secs Computing kpt #: 69 total cpu time spent up to now is 63.0 secs Computing kpt #: 70 total cpu time spent up to now is 63.7 secs Computing kpt #: 71 total cpu time spent up to now is 64.3 secs Computing kpt #: 72 total cpu time spent up to now is 64.9 secs Computing kpt #: 73 total cpu time spent up to now is 65.5 secs Computing kpt #: 74 total cpu time spent up to now is 66.1 secs Computing kpt #: 75 total cpu time spent up to now is 66.7 secs Computing kpt #: 76 total cpu time spent up to now is 67.5 secs Computing kpt #: 77 total cpu time spent up to now is 68.3 secs Computing kpt #: 78 total cpu time spent up to now is 69.2 secs Computing kpt #: 79 total cpu time spent up to now is 70.0 secs Computing kpt #: 80 total cpu time spent up to now is 70.9 secs Computing kpt #: 81 total cpu time spent up to now is 71.8 secs Computing kpt #: 82 total cpu time spent up to now is 72.6 secs Computing kpt #: 83 total cpu time spent up to now is 73.5 secs Computing kpt #: 84 total cpu time spent up to now is 74.4 secs Computing kpt #: 85 total cpu time spent up to now is 75.2 secs Computing kpt #: 86 total cpu time spent up to now is 76.1 secs Computing kpt #: 87 total cpu time spent up to now is 77.0 secs Computing kpt #: 88 total cpu time spent up to now is 78.0 secs Computing kpt #: 89 total cpu time spent up to now is 79.0 secs Computing kpt #: 90 total cpu time spent up to now is 80.4 secs Computing kpt #: 91 total cpu time spent up to now is 81.4 secs Computing kpt #: 92 total cpu time spent up to now is 82.4 secs Computing kpt #: 93 total cpu time spent up to now is 83.3 secs Computing kpt #: 94 total cpu time spent up to now is 84.1 secs Computing kpt #: 95 total cpu time spent up to now is 85.0 secs Computing kpt #: 96 total cpu time spent up to now is 85.8 secs Computing kpt #: 97 total cpu time spent up to now is 86.6 secs Computing kpt #: 98 total cpu time spent up to now is 87.3 secs Computing kpt #: 99 total cpu time spent up to now is 88.1 secs Computing kpt #: 100 total cpu time spent up to now is 88.9 secs Computing kpt #: 101 total cpu time spent up to now is 89.6 secs Computing kpt #: 102 total cpu time spent up to now is 90.3 secs Computing kpt #: 103 total cpu time spent up to now is 91.1 secs Computing kpt #: 104 total cpu time spent up to now is 91.9 secs Computing kpt #: 105 total cpu time spent up to now is 92.7 secs Computing kpt #: 106 total cpu time spent up to now is 93.4 secs Computing kpt #: 107 total cpu time spent up to now is 94.1 secs Computing kpt #: 108 total cpu time spent up to now is 94.7 secs Computing kpt #: 109 total cpu time spent up to now is 95.4 secs Computing kpt #: 110 total cpu time spent up to now is 96.1 secs Computing kpt #: 111 total cpu time spent up to now is 96.8 secs Computing kpt #: 112 total cpu time spent up to now is 97.4 secs Computing kpt #: 113 total cpu time spent up to now is 98.0 secs Computing kpt #: 114 total cpu time spent up to now is 98.6 secs Computing kpt #: 115 total cpu time spent up to now is 99.4 secs Computing kpt #: 116 total cpu time spent up to now is 100.2 secs Computing kpt #: 117 total cpu time spent up to now is 100.9 secs Computing kpt #: 118 total cpu time spent up to now is 101.7 secs Computing kpt #: 119 total cpu time spent up to now is 102.4 secs Computing kpt #: 120 total cpu time spent up to now is 103.2 secs Computing kpt #: 121 total cpu time spent up to now is 104.1 secs Computing kpt #: 122 total cpu time spent up to now is 104.9 secs Computing kpt #: 123 total cpu time spent up to now is 105.9 secs Computing kpt #: 124 total cpu time spent up to now is 106.6 secs Computing kpt #: 125 total cpu time spent up to now is 107.3 secs Computing kpt #: 126 total cpu time spent up to now is 108.1 secs Computing kpt #: 127 total cpu time spent up to now is 108.8 secs Computing kpt #: 128 total cpu time spent up to now is 109.5 secs Computing kpt #: 129 total cpu time spent up to now is 110.3 secs Computing kpt #: 130 total cpu time spent up to now is 111.0 secs Computing kpt #: 131 total cpu time spent up to now is 111.8 secs Computing kpt #: 132 total cpu time spent up to now is 112.6 secs Computing kpt #: 133 total cpu time spent up to now is 113.7 secs Computing kpt #: 134 total cpu time spent up to now is 114.5 secs Computing kpt #: 135 total cpu time spent up to now is 115.6 secs Computing kpt #: 136 total cpu time spent up to now is 117.2 secs Computing kpt #: 137 total cpu time spent up to now is 118.2 secs Computing kpt #: 138 total cpu time spent up to now is 119.6 secs Computing kpt #: 139 total cpu time spent up to now is 120.8 secs Computing kpt #: 140 total cpu time spent up to now is 121.5 secs Computing kpt #: 141 total cpu time spent up to now is 122.2 secs Computing kpt #: 142 total cpu time spent up to now is 122.8 secs Computing kpt #: 143 total cpu time spent up to now is 123.4 secs Computing kpt #: 144 total cpu time spent up to now is 124.0 secs Computing kpt #: 145 total cpu time spent up to now is 124.6 secs Computing kpt #: 146 total cpu time spent up to now is 125.2 secs Computing kpt #: 147 total cpu time spent up to now is 125.8 secs Computing kpt #: 148 total cpu time spent up to now is 126.4 secs Computing kpt #: 149 total cpu time spent up to now is 127.0 secs Computing kpt #: 150 total cpu time spent up to now is 127.6 secs Computing kpt #: 151 total cpu time spent up to now is 128.2 secs Computing kpt #: 152 total cpu time spent up to now is 128.8 secs Computing kpt #: 153 total cpu time spent up to now is 129.4 secs Computing kpt #: 154 total cpu time spent up to now is 130.1 secs Computing kpt #: 155 total cpu time spent up to now is 130.6 secs Computing kpt #: 156 total cpu time spent up to now is 131.2 secs Computing kpt #: 157 total cpu time spent up to now is 131.8 secs Computing kpt #: 158 total cpu time spent up to now is 132.4 secs Computing kpt #: 159 total cpu time spent up to now is 133.0 secs Computing kpt #: 160 total cpu time spent up to now is 133.6 secs Computing kpt #: 161 total cpu time spent up to now is 134.2 secs Computing kpt #: 162 total cpu time spent up to now is 134.9 secs Computing kpt #: 163 total cpu time spent up to now is 135.5 secs Computing kpt #: 164 total cpu time spent up to now is 136.1 secs Computing kpt #: 165 total cpu time spent up to now is 136.9 secs Computing kpt #: 166 total cpu time spent up to now is 137.7 secs Computing kpt #: 167 total cpu time spent up to now is 138.5 secs Computing kpt #: 168 total cpu time spent up to now is 139.3 secs Computing kpt #: 169 total cpu time spent up to now is 140.0 secs Computing kpt #: 170 total cpu time spent up to now is 140.8 secs Computing kpt #: 171 total cpu time spent up to now is 141.6 secs Computing kpt #: 172 total cpu time spent up to now is 142.3 secs Computing kpt #: 173 total cpu time spent up to now is 143.1 secs Computing kpt #: 174 total cpu time spent up to now is 143.9 secs Computing kpt #: 175 total cpu time spent up to now is 144.6 secs Computing kpt #: 176 total cpu time spent up to now is 145.4 secs Computing kpt #: 177 total cpu time spent up to now is 146.2 secs Computing kpt #: 178 total cpu time spent up to now is 146.8 secs Computing kpt #: 179 total cpu time spent up to now is 147.6 secs Computing kpt #: 180 total cpu time spent up to now is 148.4 secs Computing kpt #: 181 total cpu time spent up to now is 149.2 secs Computing kpt #: 182 total cpu time spent up to now is 150.0 secs Computing kpt #: 183 total cpu time spent up to now is 150.8 secs Computing kpt #: 184 total cpu time spent up to now is 151.5 secs Computing kpt #: 185 total cpu time spent up to now is 152.3 secs Computing kpt #: 186 total cpu time spent up to now is 153.1 secs Computing kpt #: 187 total cpu time spent up to now is 153.9 secs Computing kpt #: 188 total cpu time spent up to now is 154.8 secs Computing kpt #: 189 total cpu time spent up to now is 155.6 secs Computing kpt #: 190 total cpu time spent up to now is 156.4 secs Computing kpt #: 191 total cpu time spent up to now is 157.3 secs Computing kpt #: 192 total cpu time spent up to now is 158.0 secs Computing kpt #: 193 total cpu time spent up to now is 158.8 secs Computing kpt #: 194 total cpu time spent up to now is 159.6 secs Computing kpt #: 195 total cpu time spent up to now is 160.4 secs Computing kpt #: 196 total cpu time spent up to now is 161.1 secs Computing kpt #: 197 total cpu time spent up to now is 161.9 secs Computing kpt #: 198 total cpu time spent up to now is 162.7 secs Computing kpt #: 199 total cpu time spent up to now is 163.5 secs Computing kpt #: 200 total cpu time spent up to now is 164.3 secs Computing kpt #: 201 total cpu time spent up to now is 165.1 secs Computing kpt #: 202 total cpu time spent up to now is 165.9 secs Computing kpt #: 203 total cpu time spent up to now is 166.7 secs Computing kpt #: 204 total cpu time spent up to now is 167.7 secs Computing kpt #: 205 total cpu time spent up to now is 168.6 secs Computing kpt #: 206 total cpu time spent up to now is 169.3 secs Computing kpt #: 207 total cpu time spent up to now is 170.0 secs Computing kpt #: 208 total cpu time spent up to now is 170.7 secs Computing kpt #: 209 total cpu time spent up to now is 171.4 secs Computing kpt #: 210 total cpu time spent up to now is 172.1 secs Computing kpt #: 211 total cpu time spent up to now is 172.9 secs Computing kpt #: 212 total cpu time spent up to now is 173.6 secs Computing kpt #: 213 total cpu time spent up to now is 174.3 secs Computing kpt #: 214 total cpu time spent up to now is 175.0 secs Computing kpt #: 215 total cpu time spent up to now is 175.8 secs Computing kpt #: 216 total cpu time spent up to now is 176.5 secs Computing kpt #: 217 total cpu time spent up to now is 177.2 secs Computing kpt #: 218 total cpu time spent up to now is 177.9 secs Computing kpt #: 219 total cpu time spent up to now is 178.7 secs Computing kpt #: 220 total cpu time spent up to now is 179.4 secs Computing kpt #: 221 total cpu time spent up to now is 180.2 secs Computing kpt #: 222 total cpu time spent up to now is 180.9 secs Computing kpt #: 223 total cpu time spent up to now is 181.8 secs Computing kpt #: 224 total cpu time spent up to now is 182.6 secs Computing kpt #: 225 total cpu time spent up to now is 183.3 secs Computing kpt #: 226 total cpu time spent up to now is 184.0 secs Computing kpt #: 227 total cpu time spent up to now is 184.7 secs Computing kpt #: 228 total cpu time spent up to now is 185.4 secs Computing kpt #: 229 total cpu time spent up to now is 186.1 secs Computing kpt #: 230 total cpu time spent up to now is 186.9 secs Computing kpt #: 231 total cpu time spent up to now is 187.6 secs Computing kpt #: 232 total cpu time spent up to now is 188.3 secs Computing kpt #: 233 total cpu time spent up to now is 189.0 secs Computing kpt #: 234 total cpu time spent up to now is 189.7 secs Computing kpt #: 235 total cpu time spent up to now is 190.3 secs Computing kpt #: 236 total cpu time spent up to now is 191.0 secs Computing kpt #: 237 total cpu time spent up to now is 191.6 secs Computing kpt #: 238 total cpu time spent up to now is 192.3 secs Computing kpt #: 239 total cpu time spent up to now is 192.9 secs Computing kpt #: 240 total cpu time spent up to now is 193.5 secs Computing kpt #: 241 total cpu time spent up to now is 194.1 secs Computing kpt #: 242 total cpu time spent up to now is 194.8 secs Computing kpt #: 243 total cpu time spent up to now is 195.4 secs Computing kpt #: 244 total cpu time spent up to now is 196.0 secs Computing kpt #: 245 total cpu time spent up to now is 196.7 secs Computing kpt #: 246 total cpu time spent up to now is 197.3 secs Computing kpt #: 247 total cpu time spent up to now is 197.9 secs Computing kpt #: 248 total cpu time spent up to now is 198.6 secs Computing kpt #: 249 total cpu time spent up to now is 199.2 secs Computing kpt #: 250 total cpu time spent up to now is 199.9 secs Computing kpt #: 251 total cpu time spent up to now is 200.6 secs Computing kpt #: 252 total cpu time spent up to now is 201.2 secs Computing kpt #: 253 total cpu time spent up to now is 201.9 secs Computing kpt #: 254 total cpu time spent up to now is 202.5 secs Computing kpt #: 255 total cpu time spent up to now is 203.2 secs Computing kpt #: 256 total cpu time spent up to now is 203.8 secs Computing kpt #: 257 total cpu time spent up to now is 204.4 secs Computing kpt #: 258 total cpu time spent up to now is 205.1 secs Computing kpt #: 259 total cpu time spent up to now is 205.7 secs Computing kpt #: 260 total cpu time spent up to now is 206.3 secs Computing kpt #: 261 total cpu time spent up to now is 206.9 secs Computing kpt #: 262 total cpu time spent up to now is 207.5 secs Computing kpt #: 263 total cpu time spent up to now is 208.1 secs Computing kpt #: 264 total cpu time spent up to now is 208.7 secs Computing kpt #: 265 total cpu time spent up to now is 209.3 secs Computing kpt #: 266 total cpu time spent up to now is 209.9 secs Computing kpt #: 267 total cpu time spent up to now is 210.5 secs Computing kpt #: 268 total cpu time spent up to now is 211.1 secs Computing kpt #: 269 total cpu time spent up to now is 211.7 secs Computing kpt #: 270 total cpu time spent up to now is 212.4 secs Computing kpt #: 271 total cpu time spent up to now is 212.9 secs Computing kpt #: 272 total cpu time spent up to now is 213.6 secs Computing kpt #: 273 total cpu time spent up to now is 214.2 secs Computing kpt #: 274 total cpu time spent up to now is 215.0 secs Computing kpt #: 275 total cpu time spent up to now is 215.8 secs Computing kpt #: 276 total cpu time spent up to now is 216.4 secs Computing kpt #: 277 total cpu time spent up to now is 217.1 secs Computing kpt #: 278 total cpu time spent up to now is 217.9 secs Computing kpt #: 279 total cpu time spent up to now is 218.6 secs Computing kpt #: 280 total cpu time spent up to now is 219.3 secs Computing kpt #: 281 total cpu time spent up to now is 220.0 secs Computing kpt #: 282 total cpu time spent up to now is 220.6 secs Computing kpt #: 283 total cpu time spent up to now is 221.3 secs Computing kpt #: 284 total cpu time spent up to now is 222.1 secs Computing kpt #: 285 total cpu time spent up to now is 222.9 secs Computing kpt #: 286 total cpu time spent up to now is 223.6 secs Computing kpt #: 287 total cpu time spent up to now is 224.4 secs Computing kpt #: 288 total cpu time spent up to now is 225.1 secs Computing kpt #: 289 total cpu time spent up to now is 225.9 secs Computing kpt #: 290 total cpu time spent up to now is 226.7 secs Computing kpt #: 291 total cpu time spent up to now is 227.4 secs Computing kpt #: 292 total cpu time spent up to now is 228.2 secs Computing kpt #: 293 total cpu time spent up to now is 228.9 secs Computing kpt #: 294 total cpu time spent up to now is 229.6 secs Computing kpt #: 295 total cpu time spent up to now is 230.2 secs Computing kpt #: 296 total cpu time spent up to now is 230.8 secs Computing kpt #: 297 total cpu time spent up to now is 231.4 secs Computing kpt #: 298 total cpu time spent up to now is 232.0 secs Computing kpt #: 299 total cpu time spent up to now is 232.6 secs Computing kpt #: 300 total cpu time spent up to now is 233.1 secs Computing kpt #: 301 total cpu time spent up to now is 233.7 secs Computing kpt #: 302 total cpu time spent up to now is 234.3 secs Computing kpt #: 303 total cpu time spent up to now is 234.9 secs Computing kpt #: 304 total cpu time spent up to now is 235.4 secs Computing kpt #: 305 total cpu time spent up to now is 236.0 secs Computing kpt #: 306 total cpu time spent up to now is 236.6 secs Computing kpt #: 307 total cpu time spent up to now is 237.2 secs Computing kpt #: 308 total cpu time spent up to now is 237.8 secs Computing kpt #: 309 total cpu time spent up to now is 238.4 secs Computing kpt #: 310 total cpu time spent up to now is 239.0 secs Computing kpt #: 311 total cpu time spent up to now is 239.7 secs Computing kpt #: 312 total cpu time spent up to now is 240.3 secs Computing kpt #: 313 total cpu time spent up to now is 241.0 secs Computing kpt #: 314 total cpu time spent up to now is 241.6 secs Computing kpt #: 315 total cpu time spent up to now is 242.3 secs Computing kpt #: 316 total cpu time spent up to now is 243.1 secs ethr = 2.08E-08, avg # of iterations = 24.6 total cpu time spent up to now is 243.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7687 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7273 -8.7273 -8.6204 -8.6204 -8.4817 -8.4817 -8.4174 -8.4174 -8.3691 -8.3691 -8.2969 -8.2969 -4.1855 -4.1855 -3.3989 -3.3989 2.1078 2.1078 4.0439 4.0439 4.0670 4.0670 4.5309 4.5309 4.9371 4.9371 4.9707 4.9707 6.6853 6.6853 7.1333 7.1333 7.1774 7.1774 8.7372 8.7372 9.5615 9.5615 k = 0.0000 0.0139-0.0000 ( 7697 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7273 -8.7273 -8.6206 -8.6206 -8.4817 -8.4817 -8.4175 -8.4175 -8.3690 -8.3690 -8.2971 -8.2971 -4.1846 -4.1846 -3.3986 -3.3986 2.1086 2.1086 4.0388 4.0388 4.0637 4.0637 4.5335 4.5335 4.9323 4.9323 4.9667 4.9667 6.6928 6.6928 7.1388 7.1388 7.1817 7.1817 8.7415 8.7415 9.5534 9.5534 k = 0.0000 0.0278-0.0000 ( 7697 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7273 -8.7273 -8.6211 -8.6211 -8.4814 -8.4814 -8.4179 -8.4179 -8.3689 -8.3689 -8.2975 -8.2975 -4.1819 -4.1819 -3.3978 -3.3978 2.1110 2.1110 4.0176 4.0176 4.0606 4.0606 4.5406 4.5406 4.9140 4.9140 4.9594 4.9594 6.7149 6.7149 7.1517 7.1517 7.1976 7.1976 8.7543 8.7543 9.5243 9.5243 k = 0.0000 0.0417-0.0000 ( 7697 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7274 -8.7274 -8.6220 -8.6220 -8.4811 -8.4811 -8.4185 -8.4185 -8.3686 -8.3686 -8.2982 -8.2982 -4.1775 -4.1775 -3.3964 -3.3964 2.1151 2.1151 3.9788 3.9788 4.0612 4.0612 4.5507 4.5507 4.8784 4.8784 4.9538 4.9538 6.7500 6.7500 7.1651 7.1651 7.2317 7.2317 8.7756 8.7756 9.4771 9.4771 k = 0.0000 0.0556-0.0000 ( 7715 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8977 -36.8977 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9591 -24.9591 -24.9258 -24.9258 -8.7274 -8.7274 -8.6232 -8.6232 -8.4806 -8.4806 -8.4194 -8.4194 -8.3682 -8.3682 -8.2992 -8.2992 -4.1714 -4.1714 -3.3945 -3.3945 2.1206 2.1206 3.9268 3.9268 4.0639 4.0639 4.5619 4.5619 4.8283 4.8283 4.9492 4.9492 6.7961 6.7961 7.1776 7.1776 7.2842 7.2842 8.8050 8.8050 9.4162 9.4162 k = 0.0000 0.0694-0.0000 ( 7703 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8976 -36.8976 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9589 -24.9589 -24.9258 -24.9258 -8.7275 -8.7275 -8.6247 -8.6247 -8.4800 -8.4800 -8.4204 -8.4204 -8.3678 -8.3678 -8.3004 -8.3004 -4.1635 -4.1635 -3.3921 -3.3921 2.1277 2.1277 3.8649 3.8649 4.0679 4.0679 4.5729 4.5729 4.7674 4.7674 4.9447 4.9447 6.8510 6.8510 7.1910 7.1910 7.3521 7.3521 8.8425 8.8425 9.3450 9.3450 k = 0.0000 0.0833-0.0000 ( 7699 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1817 -37.1817 -37.1717 -37.1717 -36.8975 -36.8975 -36.8899 -36.8899 -36.8866 -36.8866 -36.8802 -36.8802 -24.9587 -24.9587 -24.9259 -24.9259 -8.7276 -8.7276 -8.6266 -8.6266 -8.4793 -8.4793 -8.4216 -8.4216 -8.3674 -8.3674 -8.3018 -8.3018 -4.1540 -4.1540 -3.3892 -3.3892 2.1362 2.1362 3.7953 3.7953 4.0729 4.0729 4.5824 4.5824 4.6985 4.6985 4.9396 4.9396 6.9124 6.9124 7.2062 7.2062 7.4330 7.4330 8.8875 8.8875 9.2667 9.2667 k = 0.0000 0.0972-0.0000 ( 7719 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1817 -37.1817 -37.1717 -37.1717 -36.8975 -36.8975 -36.8899 -36.8899 -36.8866 -36.8866 -36.8804 -36.8804 -24.9584 -24.9584 -24.9261 -24.9261 -8.7277 -8.7277 -8.6287 -8.6287 -8.4785 -8.4785 -8.4230 -8.4230 -8.3670 -8.3670 -8.3034 -8.3034 -4.1428 -4.1428 -3.3859 -3.3859 2.1460 2.1460 3.7199 3.7199 4.0789 4.0789 4.5869 4.5869 4.6270 4.6270 4.9339 4.9339 6.9784 6.9784 7.2237 7.2237 7.5250 7.5250 8.9394 8.9394 9.1838 9.1838 k = 0.0000 0.1111-0.0000 ( 7731 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8973 -36.8973 -36.8899 -36.8899 -36.8867 -36.8867 -36.8805 -36.8805 -24.9580 -24.9580 -24.9262 -24.9262 -8.7279 -8.7279 -8.6311 -8.6311 -8.4776 -8.4776 -8.4244 -8.4244 -8.3666 -8.3666 -8.3052 -8.3052 -4.1300 -4.1300 -3.3822 -3.3822 2.1570 2.1570 3.6401 3.6401 4.0858 4.0858 4.5379 4.5379 4.6030 4.6030 4.9275 4.9275 7.0474 7.0474 7.2434 7.2434 7.6267 7.6267 8.9974 8.9974 9.0984 9.0984 k = 0.0000 0.1250-0.0000 ( 7725 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1815 -37.1815 -37.1719 -37.1719 -36.8972 -36.8972 -36.8898 -36.8898 -36.8867 -36.8867 -36.8807 -36.8807 -24.9577 -24.9577 -24.9264 -24.9264 -8.7281 -8.7281 -8.6338 -8.6338 -8.4767 -8.4767 -8.4259 -8.4259 -8.3662 -8.3662 -8.3071 -8.3071 -4.1157 -4.1157 -3.3782 -3.3782 2.1691 2.1691 3.5573 3.5573 4.0936 4.0936 4.4573 4.4573 4.6061 4.6061 4.9203 4.9203 7.1181 7.1181 7.2655 7.2655 7.7364 7.7364 9.0120 9.0120 9.0606 9.0606 k = 0.0000 0.1389-0.0000 ( 7721 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1814 -37.1814 -37.1720 -37.1720 -36.8971 -36.8971 -36.8898 -36.8898 -36.8867 -36.8867 -36.8808 -36.8808 -24.9573 -24.9573 -24.9266 -24.9266 -8.7283 -8.7283 -8.6367 -8.6367 -8.4756 -8.4756 -8.4275 -8.4275 -8.3659 -8.3659 -8.3091 -8.3091 -4.0998 -4.0998 -3.3739 -3.3739 2.1820 2.1820 3.4724 3.4724 4.1023 4.1023 4.3740 4.3740 4.6085 4.6085 4.9124 4.9124 7.1896 7.1896 7.2900 7.2900 7.8527 7.8527 8.9259 8.9259 9.1272 9.1272 k = 0.0000 0.1528-0.0000 ( 7721 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1813 -37.1813 -37.1721 -37.1721 -36.8969 -36.8969 -36.8898 -36.8898 -36.8867 -36.8867 -36.8810 -36.8810 -24.9568 -24.9568 -24.9268 -24.9268 -8.7286 -8.7286 -8.6398 -8.6398 -8.4746 -8.4746 -8.4291 -8.4291 -8.3658 -8.3658 -8.3112 -8.3112 -4.0825 -4.0825 -3.3695 -3.3695 2.1957 2.1957 3.3864 3.3864 4.1117 4.1117 4.2905 4.2905 4.6091 4.6091 4.9038 4.9038 7.2612 7.2612 7.3167 7.3167 7.9744 7.9744 8.8412 8.8412 9.1957 9.1957 k = 0.0000 0.1667-0.0000 ( 7713 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1812 -37.1812 -37.1722 -37.1722 -36.8967 -36.8967 -36.8898 -36.8898 -36.8868 -36.8868 -36.8812 -36.8812 -24.9563 -24.9563 -24.9270 -24.9270 -8.7290 -8.7290 -8.6431 -8.6431 -8.4735 -8.4735 -8.4307 -8.4307 -8.3657 -8.3657 -8.3133 -8.3133 -4.0639 -4.0639 -3.3650 -3.3650 2.2098 2.2098 3.3000 3.3000 4.1220 4.1220 4.2078 4.2078 4.6076 4.6076 4.8945 4.8945 7.3322 7.3322 7.3457 7.3457 8.1000 8.1000 8.7589 8.7589 9.2636 9.2636 k = 0.0000 0.1806-0.0000 ( 7715 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1811 -37.1811 -37.1723 -37.1723 -36.8965 -36.8965 -36.8897 -36.8897 -36.8868 -36.8868 -36.8814 -36.8814 -24.9558 -24.9558 -24.9273 -24.9273 -8.7294 -8.7294 -8.6465 -8.6465 -8.4725 -8.4725 -8.4323 -8.4323 -8.3657 -8.3657 -8.3154 -8.3154 -4.0439 -4.0439 -3.3604 -3.3604 2.2240 2.2240 3.2139 3.2139 4.1249 4.1249 4.1351 4.1351 4.6041 4.6041 4.8845 4.8845 7.3769 7.3769 7.4025 7.4025 8.2281 8.2281 8.6801 8.6801 9.3032 9.3032 k = 0.0000 0.1944-0.0000 ( 7711 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1809 -37.1809 -37.1724 -37.1724 -36.8963 -36.8963 -36.8897 -36.8897 -36.8869 -36.8869 -36.8816 -36.8816 -24.9553 -24.9553 -24.9275 -24.9275 -8.7298 -8.7298 -8.6501 -8.6501 -8.4715 -8.4715 -8.4339 -8.4339 -8.3658 -8.3658 -8.3174 -8.3174 -4.0228 -4.0228 -3.3559 -3.3559 2.2381 2.2381 3.1288 3.1288 4.0483 4.0483 4.1453 4.1453 4.5983 4.5983 4.8738 4.8738 7.4101 7.4101 7.4718 7.4718 8.3560 8.3560 8.6067 8.6067 9.2753 9.2753 k = 0.0000 0.2083-0.0000 ( 7719 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1808 -37.1808 -37.1726 -37.1726 -36.8961 -36.8961 -36.8896 -36.8896 -36.8869 -36.8869 -36.8818 -36.8818 -24.9547 -24.9547 -24.9278 -24.9278 -8.7303 -8.7303 -8.6539 -8.6539 -8.4705 -8.4705 -8.4353 -8.4353 -8.3660 -8.3660 -8.3194 -8.3194 -4.0005 -4.0005 -3.3516 -3.3516 2.2516 2.2516 3.0451 3.0451 3.9737 3.9737 4.1578 4.1578 4.5902 4.5902 4.8624 4.8624 7.4454 7.4454 7.5398 7.5398 8.4665 8.4665 8.5555 8.5555 9.2482 9.2482 k = 0.0000 0.2222-0.0000 ( 7727 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1807 -37.1807 -37.1727 -37.1727 -36.8958 -36.8958 -36.8896 -36.8896 -36.8870 -36.8870 -36.8821 -36.8821 -24.9541 -24.9541 -24.9281 -24.9281 -8.7308 -8.7308 -8.6577 -8.6577 -8.4696 -8.4696 -8.4367 -8.4367 -8.3663 -8.3663 -8.3213 -8.3213 -3.9772 -3.9772 -3.3475 -3.3475 2.2642 2.2642 2.9633 2.9633 3.9034 3.9034 4.1710 4.1710 4.5798 4.5798 4.8504 4.8504 7.4826 7.4826 7.6065 7.6065 8.4493 8.4493 8.6360 8.6360 9.2223 9.2223 k = 0.0000 0.2361-0.0000 ( 7731 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1805 -37.1805 -37.1729 -37.1729 -36.8956 -36.8956 -36.8896 -36.8896 -36.8871 -36.8871 -36.8824 -36.8824 -24.9535 -24.9535 -24.9285 -24.9285 -8.7313 -8.7313 -8.6616 -8.6616 -8.4688 -8.4688 -8.4380 -8.4380 -8.3666 -8.3666 -8.3232 -8.3232 -3.9529 -3.9529 -3.3438 -3.3438 2.2754 2.2754 2.8838 2.8838 3.8382 3.8382 4.1848 4.1848 4.5668 4.5668 4.8378 4.8378 7.5215 7.5215 7.6716 7.6716 8.3912 8.3912 8.7608 8.7608 9.1979 9.1979 k = 0.0000 0.2500-0.0000 ( 7731 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1804 -37.1804 -37.1730 -37.1730 -36.8953 -36.8953 -36.8895 -36.8895 -36.8871 -36.8871 -36.8826 -36.8826 -24.9528 -24.9528 -24.9288 -24.9288 -8.7319 -8.7319 -8.6656 -8.6656 -8.4681 -8.4681 -8.4391 -8.4391 -8.3670 -8.3670 -8.3250 -8.3250 -3.9278 -3.9278 -3.3406 -3.3406 2.2847 2.2847 2.8070 2.8070 3.7789 3.7789 4.1993 4.1993 4.5513 4.5513 4.8246 4.8246 7.5621 7.5621 7.7351 7.7351 8.3352 8.3352 8.8860 8.8860 9.1754 9.1754 k = 0.0000 0.2639-0.0000 ( 7727 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1802 -37.1802 -37.1732 -37.1732 -36.8950 -36.8950 -36.8895 -36.8895 -36.8872 -36.8872 -36.8829 -36.8829 -24.9521 -24.9521 -24.9292 -24.9292 -8.7325 -8.7325 -8.6696 -8.6696 -8.4675 -8.4675 -8.4402 -8.4402 -8.3674 -8.3674 -8.3267 -8.3267 -3.9019 -3.9019 -3.3379 -3.3379 2.2916 2.2916 2.7332 2.7332 3.7261 3.7261 4.2144 4.2144 4.5331 4.5331 4.8109 4.8109 7.6040 7.6040 7.7967 7.7967 8.2841 8.2841 9.0077 9.0077 9.1549 9.1549 k = 0.0000 0.2778-0.0000 ( 7726 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1800 -37.1800 -37.1734 -37.1734 -36.8947 -36.8947 -36.8894 -36.8894 -36.8872 -36.8872 -36.8832 -36.8832 -24.9514 -24.9514 -24.9296 -24.9296 -8.7331 -8.7331 -8.6736 -8.6736 -8.4669 -8.4669 -8.4411 -8.4411 -8.3677 -8.3677 -8.3284 -8.3284 -3.8755 -3.8755 -3.3359 -3.3359 2.2958 2.2958 2.6627 2.6627 3.6806 3.6806 4.2299 4.2299 4.5122 4.5122 4.7967 4.7967 7.6471 7.6471 7.8561 7.8561 8.2389 8.2389 9.1231 9.1231 9.1376 9.1376 k = 0.0000 0.2917-0.0000 ( 7714 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1798 -37.1798 -37.1735 -37.1735 -36.8944 -36.8944 -36.8893 -36.8893 -36.8873 -36.8873 -36.8835 -36.8835 -24.9507 -24.9507 -24.9301 -24.9301 -8.7337 -8.7337 -8.6776 -8.6776 -8.4665 -8.4665 -8.4420 -8.4420 -8.3680 -8.3680 -8.3300 -8.3300 -3.8485 -3.8485 -3.3347 -3.3347 2.2967 2.2967 2.5958 2.5958 3.6429 3.6429 4.2460 4.2460 4.4886 4.4886 4.7819 4.7819 7.6909 7.6909 7.9128 7.9128 8.2003 8.2003 9.1206 9.1206 9.2338 9.2338 k = 0.0000 0.3056-0.0000 ( 7706 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1796 -37.1796 -37.1737 -37.1737 -36.8941 -36.8941 -36.8893 -36.8893 -36.8874 -36.8874 -36.8839 -36.8839 -24.9500 -24.9500 -24.9305 -24.9305 -8.7342 -8.7342 -8.6817 -8.6817 -8.4661 -8.4661 -8.4428 -8.4428 -8.3681 -8.3681 -8.3316 -8.3316 -3.8211 -3.8211 -3.3344 -3.3344 2.2943 2.2943 2.5326 2.5326 3.6134 3.6134 4.2625 4.2625 4.4623 4.4623 4.7667 4.7667 7.7349 7.7349 7.9664 7.9664 8.1688 8.1688 9.1074 9.1074 9.3347 9.3347 k = 0.0000 0.3194-0.0000 ( 7702 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1794 -37.1794 -37.1739 -37.1739 -36.8938 -36.8938 -36.8892 -36.8892 -36.8874 -36.8874 -36.8842 -36.8842 -24.9492 -24.9492 -24.9310 -24.9310 -8.7347 -8.7347 -8.6857 -8.6857 -8.4657 -8.4657 -8.4436 -8.4436 -8.3681 -8.3681 -8.3332 -8.3332 -3.7934 -3.7934 -3.3351 -3.3351 2.2883 2.2883 2.4735 2.4735 3.5922 3.5922 4.2794 4.2794 4.4333 4.4333 4.7511 4.7511 7.7784 7.7784 8.0162 8.0162 8.1452 8.1452 9.0970 9.0970 9.3528 9.3528 k = 0.0000 0.3333-0.0000 ( 7694 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1792 -37.1792 -37.1741 -37.1741 -36.8934 -36.8934 -36.8892 -36.8892 -36.8875 -36.8875 -36.8845 -36.8845 -24.9484 -24.9484 -24.9315 -24.9315 -8.7351 -8.7351 -8.6896 -8.6896 -8.4654 -8.4654 -8.4443 -8.4443 -8.3680 -8.3680 -8.3348 -8.3348 -3.7656 -3.7656 -3.3369 -3.3369 2.2790 2.2790 2.4186 2.4186 3.5795 3.5795 4.2966 4.2966 4.4017 4.4017 4.7351 4.7351 7.8201 7.8201 8.0614 8.0614 8.1307 8.1307 9.0894 9.0894 9.3075 9.3075 k = 0.0000 0.3472-0.0000 ( 7706 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1791 -37.1791 -37.1743 -37.1743 -36.8931 -36.8931 -36.8891 -36.8891 -36.8876 -36.8876 -36.8849 -36.8849 -24.9477 -24.9477 -24.9320 -24.9320 -8.7354 -8.7354 -8.6935 -8.6935 -8.4650 -8.4650 -8.4451 -8.4451 -8.3677 -8.3677 -8.3363 -8.3363 -3.7377 -3.7377 -3.3398 -3.3398 2.2667 2.2667 2.3680 2.3680 3.5748 3.5748 4.3138 4.3138 4.3679 4.3679 4.7186 4.7186 7.8585 7.8585 8.1012 8.1012 8.1267 8.1267 9.0849 9.0849 9.2602 9.2602 k = 0.0000 0.3611-0.0000 ( 7696 PWs) bands (ev): -70.2363 -70.2363 -70.2353 -70.2353 -37.1788 -37.1788 -37.1745 -37.1745 -36.8927 -36.8927 -36.8890 -36.8890 -36.8876 -36.8876 -36.8852 -36.8852 -24.9469 -24.9469 -24.9326 -24.9326 -8.7356 -8.7356 -8.6974 -8.6974 -8.4646 -8.4646 -8.4459 -8.4459 -8.3673 -8.3673 -8.3379 -8.3379 -3.7099 -3.7099 -3.3440 -3.3440 2.2519 2.2519 2.3219 2.3219 3.5779 3.5779 4.3248 4.3248 4.3384 4.3384 4.7019 4.7019 7.8917 7.8917 8.1340 8.1340 8.1354 8.1354 9.0835 9.0835 9.2115 9.2115 k = 0.0000 0.3750-0.0000 ( 7704 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1786 -37.1786 -37.1747 -37.1747 -36.8924 -36.8924 -36.8890 -36.8890 -36.8877 -36.8877 -36.8856 -36.8856 -24.9461 -24.9461 -24.9331 -24.9331 -8.7357 -8.7357 -8.7011 -8.7011 -8.4641 -8.4641 -8.4467 -8.4467 -8.3666 -8.3666 -8.3395 -8.3395 -3.6824 -3.6824 -3.3496 -3.3496 2.2352 2.2352 2.2804 2.2804 3.5882 3.5882 4.2910 4.2910 4.3516 4.3516 4.6847 4.6847 7.9187 7.9187 8.1556 8.1556 8.1613 8.1613 9.0853 9.0853 9.1613 9.1613 k = 0.0000 0.3889-0.0000 ( 7696 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1784 -37.1784 -37.1749 -37.1749 -36.8920 -36.8920 -36.8889 -36.8889 -36.8878 -36.8878 -36.8859 -36.8859 -24.9453 -24.9453 -24.9337 -24.9337 -8.7356 -8.7356 -8.7047 -8.7047 -8.4636 -8.4636 -8.4476 -8.4476 -8.3658 -8.3658 -8.3411 -8.3411 -3.6552 -3.6552 -3.3565 -3.3565 2.2174 2.2174 2.2435 2.2435 3.6049 3.6049 4.2507 4.2507 4.3696 4.3696 4.6673 4.6673 7.9402 7.9402 8.1797 8.1797 8.1887 8.1887 9.0903 9.0903 9.1093 9.1093 k = 0.0000 0.4028-0.0000 ( 7692 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1782 -37.1782 -37.1751 -37.1751 -36.8917 -36.8917 -36.8888 -36.8888 -36.8878 -36.8878 -36.8863 -36.8863 -24.9445 -24.9445 -24.9343 -24.9343 -8.7353 -8.7353 -8.7081 -8.7081 -8.4630 -8.4630 -8.4486 -8.4486 -8.3648 -8.3648 -8.3428 -8.3428 -3.6285 -3.6285 -3.3649 -3.3649 2.1991 2.1991 2.2114 2.2114 3.6273 3.6273 4.2084 4.2084 4.3881 4.3881 4.6497 4.6497 7.9585 7.9585 8.1907 8.1907 8.2306 8.2306 9.0550 9.0550 9.0989 9.0989 k = 0.0000 0.4167-0.0000 ( 7684 PWs) bands (ev): -70.2361 -70.2361 -70.2355 -70.2355 -37.1780 -37.1780 -37.1753 -37.1753 -36.8913 -36.8913 -36.8888 -36.8888 -36.8879 -36.8879 -36.8867 -36.8867 -24.9437 -24.9437 -24.9350 -24.9350 -8.7348 -8.7348 -8.7114 -8.7114 -8.4623 -8.4623 -8.4496 -8.4496 -8.3637 -8.3637 -8.3444 -8.3444 -3.6024 -3.6024 -3.3747 -3.3747 2.1812 2.1812 2.1841 2.1841 3.6548 3.6548 4.1646 4.1646 4.4068 4.4068 4.6318 4.6318 7.9757 7.9757 8.1937 8.1937 8.2792 8.2792 8.9986 8.9986 9.1107 9.1107 k = 0.0000 0.4306-0.0000 ( 7680 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1778 -37.1778 -37.1755 -37.1755 -36.8909 -36.8909 -36.8887 -36.8887 -36.8880 -36.8880 -36.8870 -36.8870 -24.9429 -24.9429 -24.9356 -24.9356 -8.7341 -8.7341 -8.7146 -8.7146 -8.4615 -8.4615 -8.4507 -8.4507 -8.3625 -8.3625 -8.3461 -8.3461 -3.5771 -3.5771 -3.3861 -3.3861 2.1613 2.1613 2.1645 2.1645 3.6866 3.6866 4.1196 4.1196 4.4256 4.4256 4.6136 4.6136 7.9934 7.9934 8.1897 8.1897 8.3323 8.3323 8.9401 8.9401 9.1260 9.1260 k = 0.0000 0.4444-0.0000 ( 7670 PWs) bands (ev): -70.2360 -70.2360 -70.2356 -70.2356 -37.1775 -37.1775 -37.1757 -37.1757 -36.8905 -36.8905 -36.8886 -36.8886 -36.8880 -36.8880 -36.8874 -36.8874 -24.9422 -24.9422 -24.9363 -24.9363 -8.7332 -8.7332 -8.7175 -8.7175 -8.4606 -8.4606 -8.4518 -8.4518 -8.3611 -8.3611 -8.3478 -8.3478 -3.5526 -3.5526 -3.3990 -3.3990 2.1434 2.1434 2.1494 2.1494 3.7221 3.7221 4.0738 4.0738 4.4446 4.4446 4.5953 4.5953 8.0124 8.0124 8.1794 8.1794 8.3887 8.3887 8.8799 8.8799 9.1448 9.1448 k = 0.0000 0.4583-0.0000 ( 7688 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1773 -37.1773 -37.1760 -37.1760 -36.8901 -36.8901 -36.8885 -36.8885 -36.8882 -36.8882 -36.8878 -36.8878 -24.9414 -24.9414 -24.9370 -24.9370 -8.7321 -8.7321 -8.7203 -8.7203 -8.4597 -8.4597 -8.4530 -8.4530 -8.3596 -8.3596 -8.3496 -8.3496 -3.5290 -3.5290 -3.4134 -3.4134 2.1300 2.1300 2.1365 2.1365 3.7606 3.7606 4.0275 4.0275 4.4635 4.4635 4.5768 4.5768 8.0329 8.0329 8.1641 8.1641 8.4473 8.4473 8.8185 8.8185 9.1670 9.1670 k = 0.0000 0.4722-0.0000 ( 7694 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1771 -37.1771 -37.1762 -37.1762 -36.8898 -36.8898 -36.8885 -36.8885 -36.8883 -36.8883 -36.8882 -36.8882 -24.9406 -24.9406 -24.9377 -24.9377 -8.7307 -8.7307 -8.7228 -8.7228 -8.4586 -8.4586 -8.4542 -8.4542 -8.3580 -8.3580 -8.3513 -8.3513 -3.5066 -3.5066 -3.4292 -3.4292 2.1211 2.1211 2.1264 2.1264 3.8017 3.8017 3.9810 3.9810 4.4825 4.4825 4.5581 4.5581 8.0547 8.0547 8.1451 8.1451 8.5075 8.5075 8.7562 8.7562 9.1927 9.1927 k = 0.0000 0.4861-0.0000 ( 7700 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1769 -37.1769 -37.1764 -37.1764 -36.8894 -36.8894 -36.8886 -36.8886 -36.8884 -36.8884 -36.8883 -36.8883 -24.9399 -24.9399 -24.9384 -24.9384 -8.7291 -8.7291 -8.7251 -8.7251 -8.4576 -8.4576 -8.4553 -8.4553 -8.3564 -8.3564 -8.3530 -8.3530 -3.4853 -3.4853 -3.4465 -3.4465 2.1165 2.1165 2.1194 2.1194 3.8447 3.8447 3.9348 3.9348 4.5015 4.5015 4.5393 4.5393 8.0776 8.0776 8.1237 8.1237 8.5689 8.5689 8.6936 8.6936 9.2219 9.2219 k = 0.0000 0.5000-0.0000 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8884 -36.8884 -36.8884 -36.8884 -24.9391 -24.9391 -24.9391 -24.9391 -8.7272 -8.7272 -8.7272 -8.7272 -8.4565 -8.4565 -8.4565 -8.4565 -8.3547 -8.3547 -8.3547 -8.3547 -3.4652 -3.4652 -3.4652 -3.4652 2.1161 2.1161 2.1161 2.1161 3.8892 3.8892 3.8892 3.8892 4.5205 4.5205 4.5205 4.5205 8.1008 8.1008 8.1008 8.1008 8.6310 8.6310 8.6310 8.6310 9.2546 9.2546 k = 0.0000 0.5000-0.0000 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8884 -36.8884 -36.8884 -36.8884 -24.9391 -24.9391 -24.9391 -24.9391 -8.7272 -8.7272 -8.7272 -8.7272 -8.4565 -8.4565 -8.4565 -8.4565 -8.3547 -8.3547 -8.3547 -8.3547 -3.4652 -3.4652 -3.4652 -3.4652 2.1161 2.1161 2.1161 2.1161 3.8892 3.8892 3.8892 3.8892 4.5205 4.5205 4.5205 4.5205 8.1008 8.1008 8.1008 8.1008 8.6310 8.6310 8.6310 8.6310 9.2546 9.2546 k = 0.0139 0.5000-0.0000 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8891 -36.8891 -36.8891 -36.8891 -36.8883 -36.8883 -36.8882 -36.8882 -24.9391 -24.9391 -24.9391 -24.9391 -8.7277 -8.7277 -8.7267 -8.7267 -8.4590 -8.4590 -8.4540 -8.4540 -8.3569 -8.3569 -8.3527 -8.3527 -3.4650 -3.4650 -3.4650 -3.4650 2.1165 2.1165 2.1167 2.1167 3.8891 3.8891 3.8897 3.8897 4.5161 4.5161 4.5170 4.5170 8.1018 8.1018 8.1030 8.1030 8.6303 8.6303 8.6305 8.6305 9.2386 9.2386 k = 0.0278 0.5000-0.0000 ( 7690 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8893 -36.8893 -36.8892 -36.8892 -36.8881 -36.8881 -36.8880 -36.8880 -24.9391 -24.9391 -24.9391 -24.9391 -8.7280 -8.7280 -8.7261 -8.7261 -8.4617 -8.4617 -8.4516 -8.4516 -8.3592 -8.3592 -8.3509 -8.3509 -3.4643 -3.4643 -3.4643 -3.4643 2.1179 2.1179 2.1183 2.1183 3.8894 3.8894 3.8906 3.8906 4.5040 4.5040 4.5059 4.5059 8.1059 8.1059 8.1083 8.1083 8.6273 8.6273 8.6279 8.6279 9.2036 9.2036 k = 0.0417 0.5000-0.0000 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8896 -36.8896 -36.8895 -36.8895 -36.8878 -36.8878 -36.8877 -36.8877 -24.9391 -24.9391 -24.9391 -24.9391 -8.7282 -8.7282 -8.7253 -8.7253 -8.4644 -8.4644 -8.4492 -8.4492 -8.3616 -8.3616 -8.3492 -8.3492 -3.4632 -3.4632 -3.4632 -3.4632 2.1204 2.1204 2.1210 2.1210 3.8901 3.8901 3.8919 3.8919 4.4846 4.4846 4.4873 4.4873 8.1123 8.1123 8.1158 8.1158 8.6195 8.6195 8.6204 8.6204 9.1669 9.1669 k = 0.0556 0.5000-0.0000 ( 7694 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8898 -36.8898 -36.8897 -36.8897 -36.8876 -36.8876 -36.8875 -36.8875 -24.9390 -24.9390 -24.9390 -24.9390 -8.7284 -8.7284 -8.7245 -8.7245 -8.4672 -8.4672 -8.4470 -8.4470 -8.3642 -8.3642 -8.3477 -8.3477 -3.4617 -3.4617 -3.4616 -3.4616 2.1239 2.1239 2.1246 2.1246 3.8911 3.8911 3.8935 3.8935 4.4583 4.4583 4.4619 4.4619 8.1201 8.1201 8.1246 8.1246 8.6029 8.6029 8.6040 8.6040 9.1418 9.1418 k = 0.0694 0.5000-0.0000 ( 7686 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8901 -36.8901 -36.8900 -36.8900 -36.8873 -36.8873 -36.8872 -36.8872 -24.9390 -24.9390 -24.9390 -24.9390 -8.7284 -8.7284 -8.7236 -8.7236 -8.4700 -8.4700 -8.4450 -8.4450 -8.3669 -8.3669 -8.3464 -8.3464 -3.4597 -3.4597 -3.4596 -3.4596 2.1282 2.1282 2.1291 2.1291 3.8924 3.8924 3.8955 3.8955 4.4257 4.4257 4.4303 4.4303 8.1283 8.1283 8.1337 8.1337 8.5739 8.5739 8.5751 8.5751 9.1368 9.1368 k = 0.0833 0.5000-0.0000 ( 7702 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8904 -36.8904 -36.8903 -36.8903 -36.8871 -36.8871 -36.8870 -36.8870 -24.9389 -24.9389 -24.9389 -24.9389 -8.7284 -8.7284 -8.7227 -8.7227 -8.4728 -8.4728 -8.4430 -8.4430 -8.3696 -8.3696 -8.3453 -8.3453 -3.4572 -3.4572 -3.4572 -3.4572 2.1335 2.1335 2.1346 2.1346 3.8940 3.8940 3.8977 3.8977 4.3877 4.3877 4.3931 4.3931 8.1358 8.1358 8.1420 8.1420 8.5316 8.5316 8.5326 8.5326 9.1553 9.1553 k = 0.0972 0.5000-0.0000 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8906 -36.8906 -36.8905 -36.8905 -36.8868 -36.8868 -36.8867 -36.8867 -24.9388 -24.9388 -24.9388 -24.9388 -8.7283 -8.7283 -8.7216 -8.7216 -8.4756 -8.4756 -8.4412 -8.4412 -8.3724 -8.3724 -8.3443 -8.3443 -3.4544 -3.4544 -3.4543 -3.4543 2.1396 2.1396 2.1408 2.1408 3.8957 3.8957 3.9002 3.9002 4.3451 4.3451 4.3514 4.3514 8.1415 8.1415 8.1484 8.1484 8.4783 8.4783 8.4790 8.4790 9.1966 9.1966 k = 0.1111 0.5000-0.0000 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8909 -36.8909 -36.8908 -36.8908 -36.8865 -36.8865 -36.8865 -36.8865 -24.9387 -24.9387 -24.9387 -24.9387 -8.7281 -8.7281 -8.7206 -8.7206 -8.4784 -8.4784 -8.4396 -8.4396 -8.3752 -8.3752 -8.3435 -8.3435 -3.4512 -3.4512 -3.4511 -3.4511 2.1464 2.1464 2.1476 2.1476 3.8976 3.8976 3.9027 3.9027 4.2987 4.2987 4.3058 4.3058 8.1445 8.1445 8.1519 8.1519 8.4177 8.4177 8.4179 8.4179 9.2578 9.2578 k = 0.1250 0.5000-0.0000 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8911 -36.8911 -36.8910 -36.8910 -36.8863 -36.8863 -36.8862 -36.8862 -24.9386 -24.9386 -24.9386 -24.9386 -8.7278 -8.7278 -8.7195 -8.7195 -8.4812 -8.4812 -8.4381 -8.4381 -8.3781 -8.3781 -8.3429 -8.3429 -3.4476 -3.4476 -3.4475 -3.4475 2.1538 2.1538 2.1551 2.1551 3.8995 3.8995 3.9053 3.9053 4.2494 4.2494 4.2574 4.2574 8.1436 8.1436 8.1514 8.1514 8.3535 8.3535 8.3538 8.3538 9.3355 9.3355 k = 0.1389 0.5000-0.0000 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8914 -36.8914 -36.8913 -36.8913 -36.8860 -36.8860 -36.8860 -36.8860 -24.9385 -24.9385 -24.9385 -24.9385 -8.7275 -8.7275 -8.7184 -8.7184 -8.4839 -8.4839 -8.4368 -8.4368 -8.3809 -8.3809 -8.3425 -8.3425 -3.4437 -3.4437 -3.4436 -3.4436 2.1617 2.1617 2.1631 2.1631 3.9012 3.9012 3.9079 3.9079 4.1981 4.1981 4.2070 4.2070 8.1366 8.1366 8.1445 8.1445 8.2904 8.2904 8.2910 8.2910 9.4271 9.4271 k = 0.1528 0.5000-0.0000 ( 7688 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8916 -36.8916 -36.8915 -36.8915 -36.8858 -36.8858 -36.8857 -36.8857 -24.9384 -24.9384 -24.9384 -24.9384 -8.7271 -8.7271 -8.7172 -8.7172 -8.4865 -8.4865 -8.4357 -8.4357 -8.3836 -8.3836 -8.3422 -8.3422 -3.4394 -3.4394 -3.4393 -3.4393 2.1699 2.1699 2.1714 2.1714 3.9027 3.9027 3.9103 3.9103 4.1455 4.1455 4.1555 4.1555 8.1183 8.1183 8.1253 8.1253 8.2361 8.2361 8.2363 8.2363 9.5302 9.5302 k = 0.1667 0.5000-0.0000 ( 7674 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8918 -36.8918 -36.8917 -36.8917 -36.8855 -36.8855 -36.8854 -36.8854 -24.9383 -24.9383 -24.9383 -24.9383 -8.7267 -8.7267 -8.7161 -8.7161 -8.4890 -8.4890 -8.4348 -8.4348 -8.3862 -8.3862 -8.3421 -8.3421 -3.4349 -3.4349 -3.4348 -3.4348 2.1784 2.1784 2.1799 2.1799 3.9038 3.9038 3.9125 3.9125 4.0926 4.0926 4.1038 4.1038 8.0812 8.0812 8.0857 8.0857 8.1978 8.1978 8.2005 8.2005 9.6430 9.6430 k = 0.1806 0.5000-0.0000 ( 7686 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8921 -36.8921 -36.8920 -36.8920 -36.8853 -36.8853 -36.8852 -36.8852 -24.9382 -24.9382 -24.9382 -24.9382 -8.7262 -8.7262 -8.7150 -8.7150 -8.4914 -8.4914 -8.4343 -8.4343 -8.3886 -8.3886 -8.3422 -8.3422 -3.4301 -3.4301 -3.4300 -3.4300 2.1870 2.1870 2.1884 2.1884 3.9041 3.9041 3.9141 3.9141 4.0401 4.0401 4.0527 4.0527 8.0275 8.0275 8.0297 8.0297 8.1750 8.1750 8.1798 8.1798 9.7638 9.7638 k = 0.1944 0.5000-0.0000 ( 7686 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1767 -37.1767 -36.8923 -36.8923 -36.8922 -36.8922 -36.8851 -36.8851 -36.8850 -36.8850 -24.9380 -24.9380 -24.9380 -24.9380 -8.7257 -8.7257 -8.7140 -8.7140 -8.4937 -8.4937 -8.4340 -8.4340 -8.3908 -8.3908 -8.3424 -8.3424 -3.4251 -3.4251 -3.4249 -3.4249 2.1954 2.1954 2.1968 2.1968 3.9028 3.9028 3.9149 3.9149 3.9889 3.9889 4.0036 4.0036 7.9668 7.9668 7.9676 7.9676 8.1589 8.1589 8.1648 8.1648 9.8912 9.8912 k = 0.2083 0.5000-0.0000 ( 7678 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1767 -37.1767 -36.8925 -36.8925 -36.8924 -36.8924 -36.8848 -36.8848 -36.8848 -36.8848 -24.9379 -24.9379 -24.9379 -24.9379 -8.7252 -8.7252 -8.7130 -8.7130 -8.4957 -8.4957 -8.4341 -8.4341 -8.3927 -8.3927 -8.3428 -8.3428 -3.4199 -3.4199 -3.4197 -3.4197 2.2036 2.2036 2.2049 2.2049 3.8975 3.8975 3.9123 3.9123 3.9421 3.9421 3.9596 3.9596 7.9047 7.9047 7.9048 7.9048 8.1442 8.1442 8.1509 8.1509 10.0238 10.0238 k = 0.2222 0.5000-0.0000 ( 7682 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8927 -36.8927 -36.8926 -36.8926 -36.8846 -36.8846 -36.8846 -36.8846 -24.9378 -24.9378 -24.9378 -24.9378 -8.7247 -8.7247 -8.7122 -8.7122 -8.4976 -8.4976 -8.4345 -8.4345 -8.3943 -8.3943 -8.3433 -8.3433 -3.4145 -3.4145 -3.4143 -3.4143 2.2114 2.2114 2.2125 2.2125 3.8797 3.8797 3.8844 3.8844 3.9220 3.9220 3.9295 3.9295 7.8430 7.8430 7.8438 7.8438 8.1293 8.1293 8.1364 8.1364 10.1602 10.1602 k = 0.2361 0.5000-0.0000 ( 7686 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8929 -36.8929 -36.8928 -36.8928 -36.8844 -36.8844 -36.8843 -36.8843 -24.9376 -24.9376 -24.9376 -24.9376 -8.7242 -8.7242 -8.7114 -8.7114 -8.4992 -8.4992 -8.4353 -8.4353 -8.3955 -8.3955 -8.3439 -8.3439 -3.4090 -3.4090 -3.4089 -3.4089 2.2185 2.2185 2.2195 2.2195 3.8410 3.8410 3.8455 3.8455 3.9177 3.9177 3.9193 3.9193 7.7836 7.7836 7.7849 7.7849 8.1134 8.1134 8.1207 8.1207 10.2988 10.2989 k = 0.2500 0.5000-0.0000 ( 7690 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8931 -36.8931 -36.8930 -36.8930 -36.8842 -36.8842 -36.8842 -36.8842 -24.9375 -24.9375 -24.9375 -24.9375 -8.7237 -8.7237 -8.7107 -8.7107 -8.5006 -8.5006 -8.4366 -8.4366 -8.3963 -8.3963 -8.3447 -8.3447 -3.4034 -3.4034 -3.4033 -3.4033 2.2248 2.2248 2.2256 2.2256 3.7991 3.7991 3.8072 3.8072 3.9121 3.9121 3.9173 3.9173 7.7270 7.7270 7.7287 7.7287 8.0963 8.0963 8.1038 8.1038 10.4379 10.4380 k = 0.2639 0.5000-0.0000 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8933 -36.8933 -36.8932 -36.8932 -36.8840 -36.8840 -36.8840 -36.8840 -24.9373 -24.9373 -24.9373 -24.9373 -8.7233 -8.7233 -8.7101 -8.7101 -8.5018 -8.5018 -8.4381 -8.4381 -8.3967 -8.3967 -8.3457 -8.3457 -3.3979 -3.3979 -3.3977 -3.3977 2.2302 2.2302 2.2308 2.2308 3.7604 3.7604 3.7704 3.7704 3.9075 3.9075 3.9146 3.9146 7.6736 7.6736 7.6757 7.6757 8.0780 8.0780 8.0857 8.0857 10.5753 10.5756 k = 0.2778 0.5000-0.0000 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8935 -36.8935 -36.8934 -36.8934 -36.8838 -36.8838 -36.8838 -36.8838 -24.9372 -24.9372 -24.9372 -24.9372 -8.7228 -8.7228 -8.7097 -8.7097 -8.5027 -8.5027 -8.4400 -8.4400 -8.3968 -8.3968 -8.3467 -8.3467 -3.3923 -3.3923 -3.3921 -3.3921 2.2345 2.2345 2.2349 2.2349 3.7253 3.7253 3.7367 3.7367 3.9026 3.9026 3.9110 3.9110 7.6236 7.6236 7.6260 7.6260 8.0586 8.0586 8.0663 8.0663 10.7082 10.7096 k = 0.2917 0.5000-0.0000 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8936 -36.8936 -36.8935 -36.8935 -36.8837 -36.8837 -36.8836 -36.8836 -24.9371 -24.9371 -24.9371 -24.9371 -8.7223 -8.7223 -8.7094 -8.7094 -8.5033 -8.5033 -8.4422 -8.4422 -8.3966 -8.3966 -8.3479 -8.3479 -3.3867 -3.3867 -3.3866 -3.3866 2.2376 2.2376 2.2378 2.2378 3.6944 3.6944 3.7068 3.7068 3.8968 3.8968 3.9062 3.9062 7.5772 7.5772 7.5800 7.5800 8.0382 8.0382 8.0459 8.0459 10.8321 10.8337 k = 0.3056 0.5000-0.0000 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1768 -37.1768 -36.8938 -36.8938 -36.8937 -36.8937 -36.8835 -36.8835 -36.8834 -36.8834 -24.9369 -24.9369 -24.9369 -24.9369 -8.7219 -8.7219 -8.7092 -8.7092 -8.5036 -8.5036 -8.4445 -8.4445 -8.3961 -8.3961 -8.3492 -8.3492 -3.3813 -3.3813 -3.3811 -3.3811 2.2395 2.2395 2.2395 2.2395 3.6677 3.6677 3.6810 3.6810 3.8899 3.8899 3.9002 3.9002 7.5345 7.5345 7.5376 7.5376 8.0170 8.0170 8.0247 8.0247 10.9409 10.9414 k = 0.3194 0.5000-0.0000 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8939 -36.8939 -36.8938 -36.8938 -36.8833 -36.8833 -36.8833 -36.8833 -24.9368 -24.9368 -24.9368 -24.9368 -8.7215 -8.7215 -8.7092 -8.7092 -8.5036 -8.5036 -8.4470 -8.4470 -8.3954 -8.3954 -8.3506 -8.3506 -3.3760 -3.3760 -3.3758 -3.3758 2.2400 2.2400 2.2401 2.2401 3.6454 3.6454 3.6595 3.6595 3.8818 3.8818 3.8929 3.8929 7.4956 7.4956 7.4989 7.4989 7.9952 7.9952 8.0028 8.0028 11.0282 11.0283 k = 0.3333 0.5000-0.0000 ( 7698 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8941 -36.8941 -36.8940 -36.8940 -36.8832 -36.8832 -36.8832 -36.8832 -24.9367 -24.9367 -24.9367 -24.9367 -8.7211 -8.7211 -8.7093 -8.7093 -8.5034 -8.5034 -8.4497 -8.4497 -8.3945 -8.3945 -8.3521 -8.3521 -3.3709 -3.3709 -3.3707 -3.3707 2.2393 2.2393 2.2396 2.2396 3.6275 3.6275 3.6423 3.6423 3.8725 3.8725 3.8843 3.8843 7.4605 7.4605 7.4639 7.4639 7.9731 7.9731 7.9806 7.9806 11.0909 11.0913 k = 0.3472 0.5000-0.0000 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8942 -36.8942 -36.8941 -36.8941 -36.8831 -36.8831 -36.8830 -36.8830 -24.9365 -24.9365 -24.9365 -24.9365 -8.7207 -8.7207 -8.7095 -8.7095 -8.5029 -8.5029 -8.4524 -8.4524 -8.3934 -8.3934 -8.3537 -8.3537 -3.3660 -3.3660 -3.3658 -3.3658 2.2375 2.2375 2.2380 2.2380 3.6141 3.6141 3.6294 3.6294 3.8619 3.8619 3.8744 3.8744 7.4292 7.4292 7.4327 7.4327 7.9509 7.9509 7.9582 7.9582 11.1321 11.1321 k = 0.3611 0.5000-0.0000 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8943 -36.8943 -36.8943 -36.8943 -36.8830 -36.8830 -36.8829 -36.8829 -24.9364 -24.9364 -24.9364 -24.9364 -8.7203 -8.7203 -8.7098 -8.7098 -8.5021 -8.5021 -8.4552 -8.4552 -8.3921 -8.3921 -8.3553 -8.3553 -3.3613 -3.3613 -3.3612 -3.3612 2.2349 2.2349 2.2354 2.2354 3.6048 3.6048 3.6207 3.6207 3.8501 3.8501 3.8632 3.8632 7.4015 7.4015 7.4051 7.4051 7.9290 7.9290 7.9360 7.9360 11.1587 11.1588 k = 0.3750 0.5000-0.0000 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8944 -36.8944 -36.8944 -36.8944 -36.8828 -36.8828 -36.8828 -36.8828 -24.9363 -24.9363 -24.9363 -24.9363 -8.7200 -8.7200 -8.7103 -8.7103 -8.5010 -8.5010 -8.4580 -8.4580 -8.3908 -8.3908 -8.3571 -8.3571 -3.3570 -3.3570 -3.3569 -3.3569 2.2315 2.2315 2.2321 2.2321 3.5997 3.5997 3.6159 3.6159 3.8371 3.8371 3.8507 3.8507 7.3775 7.3775 7.3810 7.3810 7.9077 7.9077 7.9144 7.9144 11.1760 11.1762 k = 0.3889 0.5000-0.0000 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1769 -37.1769 -36.8945 -36.8945 -36.8945 -36.8945 -36.8827 -36.8827 -36.8827 -36.8827 -24.9362 -24.9362 -24.9362 -24.9362 -8.7196 -8.7196 -8.7107 -8.7107 -8.4998 -8.4998 -8.4608 -8.4608 -8.3893 -8.3893 -8.3589 -8.3589 -3.3530 -3.3530 -3.3529 -3.3529 2.2276 2.2276 2.2283 2.2283 3.5983 3.5983 3.6148 3.6148 3.8229 3.8229 3.8371 3.8371 7.3568 7.3568 7.3603 7.3603 7.8874 7.8874 7.8936 7.8936 11.1874 11.1877 k = 0.4028 0.5000-0.0000 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8946 -36.8946 -36.8946 -36.8946 -36.8826 -36.8826 -36.8826 -36.8826 -24.9361 -24.9361 -24.9361 -24.9361 -8.7192 -8.7192 -8.7113 -8.7113 -8.4982 -8.4982 -8.4637 -8.4637 -8.3877 -8.3877 -8.3608 -8.3608 -3.3494 -3.3494 -3.3493 -3.3493 2.2234 2.2234 2.2241 2.2241 3.6004 3.6004 3.6172 3.6172 3.8077 3.8077 3.8224 3.8224 7.3395 7.3395 7.3427 7.3427 7.8684 7.8684 7.8741 7.8741 11.1951 11.1954 k = 0.4167 0.5000-0.0000 ( 7728 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8947 -36.8947 -36.8947 -36.8947 -36.8826 -36.8826 -36.8826 -36.8826 -24.9361 -24.9361 -24.9361 -24.9361 -8.7188 -8.7188 -8.7119 -8.7119 -8.4965 -8.4965 -8.4665 -8.4665 -8.3861 -8.3861 -8.3627 -8.3627 -3.3462 -3.3462 -3.3462 -3.3462 2.2193 2.2193 2.2199 2.2199 3.6057 3.6057 3.6226 3.6226 3.7917 3.7917 3.8067 3.8067 7.3251 7.3251 7.3281 7.3281 7.8510 7.8510 7.8561 7.8561 11.2003 11.2006 k = 0.4306 0.5000-0.0000 ( 7736 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8947 -36.8947 -36.8825 -36.8825 -36.8825 -36.8825 -24.9360 -24.9360 -24.9360 -24.9360 -8.7184 -8.7184 -8.7125 -8.7125 -8.4946 -8.4946 -8.4694 -8.4694 -8.3843 -8.3843 -8.3646 -8.3646 -3.3435 -3.3435 -3.3434 -3.3434 2.2153 2.2153 2.2159 2.2159 3.6137 3.6137 3.6307 3.6307 3.7749 3.7749 3.7903 3.7903 7.3136 7.3136 7.3163 7.3163 7.8356 7.8356 7.8400 7.8400 11.2037 11.2040 k = 0.4444 0.5000-0.0000 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8825 -36.8825 -36.8825 -36.8825 -24.9359 -24.9359 -24.9359 -24.9359 -8.7179 -8.7179 -8.7132 -8.7132 -8.4926 -8.4926 -8.4722 -8.4722 -8.3825 -8.3825 -8.3666 -8.3666 -3.3412 -3.3412 -3.3411 -3.3411 2.2117 2.2117 2.2122 2.2122 3.6241 3.6241 3.6411 3.6411 3.7577 3.7577 3.7733 3.7733 7.3046 7.3046 7.3069 7.3069 7.8226 7.8226 7.8263 7.8263 11.2060 11.2061 k = 0.4583 0.5000-0.0000 ( 7744 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7174 -8.7174 -8.7139 -8.7139 -8.4904 -8.4904 -8.4750 -8.4750 -8.3806 -8.3806 -8.3686 -8.3686 -3.3394 -3.3394 -3.3394 -3.3394 2.2088 2.2088 2.2092 2.2092 3.6365 3.6365 3.6533 3.6533 3.7403 3.7403 3.7560 3.7560 7.2980 7.2980 7.2998 7.2998 7.8122 7.8122 7.8150 7.8150 11.2074 11.2075 k = 0.4722 0.5000-0.0000 ( 7748 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7169 -8.7169 -8.7145 -8.7145 -8.4880 -8.4880 -8.4777 -8.4777 -8.3787 -8.3787 -8.3707 -8.3707 -3.3381 -3.3381 -3.3381 -3.3381 2.2066 2.2066 2.2069 2.2069 3.6504 3.6504 3.6665 3.6665 3.7234 3.7234 3.7388 3.7388 7.2936 7.2936 7.2948 7.2948 7.8048 7.8048 7.8067 7.8067 11.2083 11.2084 k = 0.4861 0.5000-0.0000 ( 7752 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7164 -8.7164 -8.7152 -8.7152 -8.4856 -8.4856 -8.4804 -8.4804 -8.3767 -8.3767 -8.3727 -8.3727 -3.3373 -3.3373 -3.3373 -3.3373 2.2053 2.2053 2.2054 2.2054 3.6650 3.6650 3.6782 3.6782 3.7094 3.7094 3.7223 3.7223 7.2911 7.2911 7.2917 7.2917 7.8004 7.8004 7.8014 7.8014 11.2088 11.2088 k = 0.5000 0.5000-0.0000 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4830 -8.4830 -8.4830 -8.4830 -8.3747 -8.3747 -8.3747 -8.3747 -3.3370 -3.3370 -3.3370 -3.3370 2.2049 2.2049 2.2049 2.2049 3.6778 3.6778 3.6778 3.6778 3.7090 3.7090 3.7090 3.7090 7.2905 7.2905 7.2905 7.2905 7.7993 7.7993 7.7993 7.7993 11.2090 11.2090 k = 0.5000 0.5000-0.0000 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4830 -8.4830 -8.4830 -8.4830 -8.3747 -8.3747 -8.3747 -8.3747 -3.3370 -3.3370 -3.3370 -3.3370 2.2049 2.2049 2.2049 2.2049 3.6778 3.6778 3.6778 3.6778 3.7090 3.7090 3.7090 3.7090 7.2905 7.2905 7.2905 7.2905 7.7993 7.7993 7.7993 7.7993 11.2090 11.2090 k = 0.4900 0.4900-0.0000 ( 7748 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9358 -24.9358 -8.7164 -8.7164 -8.7151 -8.7151 -8.4856 -8.4856 -8.4804 -8.4804 -8.3767 -8.3767 -8.3727 -8.3727 -3.3378 -3.3378 -3.3368 -3.3368 2.2047 2.2047 2.2060 2.2060 3.6622 3.6622 3.6831 3.6831 3.7052 3.7052 3.7245 3.7245 7.2892 7.2892 7.2937 7.2937 7.7998 7.7998 7.8021 7.8021 11.2089 11.2094 k = 0.4800 0.4800-0.0000 ( 7744 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9358 -24.9358 -8.7169 -8.7169 -8.7145 -8.7145 -8.4881 -8.4881 -8.4776 -8.4776 -8.3787 -8.3787 -8.3706 -8.3706 -3.3400 -3.3400 -3.3362 -3.3362 2.2043 2.2043 2.2094 2.2094 3.6400 3.6400 3.6863 3.6863 3.7070 3.7070 3.7460 3.7460 7.2855 7.2855 7.3032 7.3032 7.8018 7.8018 7.8101 7.8101 11.2062 11.2106 k = 0.4700 0.4700-0.0000 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1769 -37.1769 -36.8949 -36.8949 -36.8948 -36.8948 -36.8825 -36.8825 -36.8824 -36.8824 -24.9361 -24.9361 -24.9358 -24.9358 -8.7175 -8.7175 -8.7138 -8.7138 -8.4905 -8.4905 -8.4749 -8.4749 -8.3807 -8.3807 -8.3685 -8.3685 -3.3437 -3.3437 -3.3353 -3.3353 2.2037 2.2037 2.2150 2.2150 3.6157 3.6157 3.6905 3.6905 3.7110 3.7110 3.7690 3.7690 7.2801 7.2801 7.3188 7.3188 7.8051 7.8051 7.8229 7.8229 11.2027 11.2027 k = 0.4600 0.4600-0.0000 ( 7732 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1769 -37.1769 -36.8949 -36.8949 -36.8947 -36.8947 -36.8825 -36.8825 -36.8824 -36.8824 -24.9362 -24.9362 -24.9357 -24.9357 -8.7179 -8.7179 -8.7131 -8.7131 -8.4927 -8.4927 -8.4720 -8.4720 -8.3826 -8.3826 -8.3665 -8.3665 -3.3489 -3.3489 -3.3339 -3.3339 2.2031 2.2031 2.2229 2.2229 3.5906 3.5906 3.6962 3.6962 3.7165 3.7165 3.7927 3.7927 7.2736 7.2736 7.3403 7.3403 7.8097 7.8097 7.8399 7.8399 11.1980 11.1980 k = 0.4500 0.4500-0.0000 ( 7722 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1769 -37.1769 -36.8949 -36.8949 -36.8946 -36.8946 -36.8826 -36.8826 -36.8824 -36.8824 -24.9364 -24.9364 -24.9356 -24.9356 -8.7184 -8.7184 -8.7124 -8.7124 -8.4948 -8.4948 -8.4692 -8.4692 -8.3844 -8.3844 -8.3644 -8.3644 -3.3556 -3.3556 -3.3322 -3.3322 2.2024 2.2024 2.2330 2.2330 3.5650 3.5650 3.7034 3.7034 3.7232 3.7232 3.8167 3.8167 7.2671 7.2671 7.3674 7.3674 7.8156 7.8156 7.8606 7.8606 11.1921 11.1921 k = 0.4400 0.4400-0.0000 ( 7714 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1768 -37.1768 -36.8948 -36.8948 -36.8945 -36.8945 -36.8827 -36.8827 -36.8824 -36.8824 -24.9367 -24.9367 -24.9355 -24.9355 -8.7188 -8.7188 -8.7116 -8.7116 -8.4967 -8.4967 -8.4664 -8.4664 -8.3862 -8.3862 -8.3624 -8.3624 -3.3636 -3.3636 -3.3302 -3.3302 2.2019 2.2019 2.2454 2.2454 3.5392 3.5392 3.7122 3.7122 3.7306 3.7306 3.8411 3.8411 7.2616 7.2616 7.3995 7.3995 7.8229 7.8229 7.8842 7.8842 11.1849 11.1849 k = 0.4300 0.4300-0.0000 ( 7714 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1772 -37.1772 -37.1767 -37.1767 -36.8948 -36.8948 -36.8943 -36.8943 -36.8829 -36.8829 -36.8824 -36.8824 -24.9370 -24.9370 -24.9353 -24.9353 -8.7192 -8.7192 -8.7108 -8.7108 -8.4985 -8.4985 -8.4637 -8.4637 -8.3878 -8.3878 -8.3604 -8.3604 -3.3732 -3.3732 -3.3280 -3.3280 2.2018 2.2018 2.2599 2.2599 3.5133 3.5133 3.7226 3.7226 3.7385 3.7385 3.8660 3.8660 7.2579 7.2579 7.4362 7.4362 7.8316 7.8316 7.9103 7.9103 11.1765 11.1765 k = 0.4200 0.4200-0.0000 ( 7718 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1773 -37.1773 -37.1766 -37.1766 -36.8948 -36.8948 -36.8942 -36.8942 -36.8831 -36.8831 -36.8824 -36.8824 -24.9373 -24.9373 -24.9352 -24.9352 -8.7196 -8.7196 -8.7100 -8.7100 -8.5000 -8.5000 -8.4610 -8.4610 -8.3893 -8.3893 -8.3585 -8.3585 -3.3841 -3.3841 -3.3255 -3.3255 2.2022 2.2022 2.2767 2.2767 3.4875 3.4875 3.7345 3.7345 3.7465 3.7465 3.8914 3.8914 7.2569 7.2569 7.4769 7.4769 7.8417 7.8417 7.9383 7.9383 11.1666 11.1666 k = 0.4100 0.4100-0.0000 ( 7718 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1773 -37.1773 -37.1765 -37.1765 -36.8948 -36.8948 -36.8940 -36.8940 -36.8832 -36.8832 -36.8824 -36.8824 -24.9377 -24.9377 -24.9350 -24.9350 -8.7199 -8.7199 -8.7091 -8.7091 -8.5013 -8.5013 -8.4584 -8.4584 -8.3907 -8.3907 -8.3566 -8.3566 -3.3964 -3.3964 -3.3229 -3.3229 2.2032 2.2032 2.2957 2.2957 3.4621 3.4621 3.7479 3.7479 3.7543 3.7543 3.9175 3.9175 7.2595 7.2595 7.5210 7.5210 7.8532 7.8532 7.9679 7.9679 11.1550 11.1550 k = 0.4000 0.4000-0.0000 ( 7728 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1774 -37.1774 -37.1764 -37.1764 -36.8948 -36.8948 -36.8938 -36.8938 -36.8835 -36.8835 -36.8825 -36.8825 -24.9381 -24.9381 -24.9349 -24.9349 -8.7202 -8.7202 -8.7082 -8.7082 -8.5024 -8.5024 -8.4559 -8.4559 -8.3919 -8.3919 -8.3547 -8.3547 -3.4101 -3.4101 -3.3202 -3.3202 2.2050 2.2050 2.3169 2.3169 3.4373 3.4373 3.7599 3.7599 3.7643 3.7643 3.9443 3.9443 7.2663 7.2663 7.5676 7.5676 7.8661 7.8661 7.9988 7.9988 11.1414 11.1414 k = 0.3900 0.3900-0.0000 ( 7722 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1775 -37.1775 -37.1763 -37.1763 -36.8948 -36.8948 -36.8936 -36.8936 -36.8837 -36.8837 -36.8825 -36.8825 -24.9385 -24.9385 -24.9347 -24.9347 -8.7205 -8.7205 -8.7072 -8.7072 -8.5033 -8.5033 -8.4536 -8.4536 -8.3928 -8.3928 -8.3529 -8.3529 -3.4251 -3.4251 -3.3174 -3.3174 2.2077 2.2077 2.3403 2.3403 3.4133 3.4133 3.7663 3.7663 3.7804 3.7804 3.9718 3.9718 7.2779 7.2779 7.6162 7.6162 7.8805 7.8805 8.0309 8.0309 11.1252 11.1252 k = 0.3800 0.3800-0.0000 ( 7728 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1776 -37.1776 -37.1762 -37.1762 -36.8948 -36.8948 -36.8933 -36.8933 -36.8839 -36.8839 -36.8825 -36.8825 -24.9390 -24.9390 -24.9344 -24.9344 -8.7208 -8.7208 -8.7061 -8.7061 -8.5040 -8.5040 -8.4514 -8.4514 -8.3936 -8.3936 -8.3511 -8.3511 -3.4414 -3.4414 -3.3147 -3.3147 2.2114 2.2114 2.3658 2.3658 3.3905 3.3905 3.7711 3.7711 3.7986 3.7986 4.0001 4.0001 7.2947 7.2947 7.6660 7.6660 7.8964 7.8964 8.0639 8.0639 11.1059 11.1059 k = 0.3700 0.3700-0.0000 ( 7732 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1777 -37.1777 -37.1761 -37.1761 -36.8948 -36.8948 -36.8931 -36.8931 -36.8842 -36.8842 -36.8825 -36.8825 -24.9396 -24.9396 -24.9342 -24.9342 -8.7211 -8.7211 -8.7050 -8.7050 -8.5044 -8.5044 -8.4494 -8.4494 -8.3941 -8.3941 -8.3494 -8.3494 -3.4588 -3.4588 -3.3120 -3.3120 2.2162 2.2162 2.3934 2.3934 3.3689 3.3689 3.7745 3.7745 3.8184 3.8184 4.0291 4.0291 7.3170 7.3170 7.7163 7.7163 7.9138 7.9138 8.0979 8.0979 11.0831 11.0831 k = 0.3600 0.3600-0.0000 ( 7714 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1778 -37.1778 -37.1759 -37.1759 -36.8948 -36.8948 -36.8928 -36.8928 -36.8844 -36.8844 -36.8825 -36.8825 -24.9401 -24.9401 -24.9340 -24.9340 -8.7215 -8.7215 -8.7037 -8.7037 -8.5045 -8.5045 -8.4477 -8.4477 -8.3944 -8.3944 -8.3478 -8.3478 -3.4775 -3.4775 -3.3094 -3.3094 2.2220 2.2220 2.4232 2.4232 3.3490 3.3490 3.7765 3.7765 3.8397 3.8397 4.0590 4.0590 7.3450 7.3450 7.7664 7.7664 7.9327 7.9327 8.1328 8.1328 11.0562 11.0562 k = 0.3500 0.3500-0.0000 ( 7702 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1779 -37.1779 -37.1758 -37.1758 -36.8948 -36.8948 -36.8925 -36.8925 -36.8847 -36.8847 -36.8825 -36.8825 -24.9407 -24.9407 -24.9337 -24.9337 -8.7218 -8.7218 -8.7024 -8.7024 -8.5044 -8.5044 -8.4462 -8.4462 -8.3943 -8.3943 -8.3462 -8.3462 -3.4973 -3.4973 -3.3071 -3.3071 2.2288 2.2288 2.4551 2.4551 3.3308 3.3308 3.7771 3.7771 3.8625 3.8625 4.0895 4.0895 7.3785 7.3785 7.8155 7.8155 7.9533 7.9533 8.1686 8.1686 11.0161 11.0161 k = 0.3400 0.3400-0.0000 ( 7700 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1781 -37.1781 -37.1756 -37.1756 -36.8948 -36.8948 -36.8922 -36.8922 -36.8849 -36.8849 -36.8825 -36.8825 -24.9413 -24.9413 -24.9334 -24.9334 -8.7221 -8.7221 -8.7009 -8.7009 -8.5041 -8.5041 -8.4449 -8.4449 -8.3940 -8.3940 -8.3447 -8.3447 -3.5182 -3.5182 -3.3050 -3.3050 2.2365 2.2365 2.4890 2.4890 3.3147 3.3147 3.7765 3.7765 3.8868 3.8868 4.1206 4.1206 7.4175 7.4175 7.8630 7.8630 7.9754 7.9754 8.2055 8.2055 10.8877 10.8877 k = 0.3300 0.3300-0.0000 ( 7696 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1782 -37.1782 -37.1755 -37.1755 -36.8948 -36.8948 -36.8919 -36.8919 -36.8852 -36.8852 -36.8825 -36.8825 -24.9419 -24.9419 -24.9332 -24.9332 -8.7225 -8.7225 -8.6993 -8.6993 -8.5035 -8.5035 -8.4439 -8.4439 -8.3933 -8.3933 -8.3433 -8.3433 -3.5400 -3.5400 -3.3032 -3.3032 2.2450 2.2450 2.5249 2.5249 3.3008 3.3008 3.7751 3.7751 3.9126 3.9126 4.1524 4.1524 7.4615 7.4615 7.9085 7.9085 7.9992 7.9992 8.2435 8.2435 10.7510 10.7510 k = 0.3200 0.3200-0.0000 ( 7702 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1783 -37.1783 -37.1753 -37.1753 -36.8948 -36.8948 -36.8916 -36.8916 -36.8855 -36.8855 -36.8825 -36.8825 -24.9426 -24.9426 -24.9329 -24.9329 -8.7229 -8.7229 -8.6975 -8.6975 -8.5026 -8.5026 -8.4432 -8.4432 -8.3924 -8.3924 -8.3419 -8.3419 -3.5627 -3.5627 -3.3018 -3.3018 2.2541 2.2541 2.5629 2.5629 3.2892 3.2892 3.7731 3.7731 3.9398 3.9398 4.1845 4.1845 7.5098 7.5098 7.9514 7.9514 8.0246 8.0246 8.2831 8.2831 10.6095 10.6095 k = 0.3100 0.3100-0.0000 ( 7712 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1785 -37.1785 -37.1752 -37.1752 -36.8948 -36.8948 -36.8913 -36.8913 -36.8858 -36.8858 -36.8826 -36.8826 -24.9433 -24.9433 -24.9326 -24.9326 -8.7233 -8.7233 -8.6957 -8.6957 -8.5016 -8.5016 -8.4426 -8.4426 -8.3912 -8.3912 -8.3406 -8.3406 -3.5863 -3.5863 -3.3008 -3.3008 2.2637 2.2637 2.6028 2.6028 3.2803 3.2803 3.7710 3.7710 3.9684 3.9684 4.2170 4.2170 7.5615 7.5615 7.9914 7.9914 8.0516 8.0516 8.3244 8.3244 10.4656 10.4656 k = 0.3000 0.3000-0.0000 ( 7698 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1786 -37.1786 -37.1750 -37.1750 -36.8948 -36.8948 -36.8910 -36.8910 -36.8861 -36.8861 -36.8825 -36.8825 -24.9440 -24.9440 -24.9323 -24.9323 -8.7238 -8.7238 -8.6936 -8.6936 -8.5003 -8.5003 -8.4423 -8.4423 -8.3898 -8.3898 -8.3394 -8.3394 -3.6106 -3.6106 -3.3002 -3.3002 2.2733 2.2733 2.6446 2.6446 3.2741 3.2741 3.7694 3.7694 3.9984 3.9984 4.2497 4.2497 7.6155 7.6155 8.0284 8.0284 8.0803 8.0803 8.3683 8.3683 10.3209 10.3209 k = 0.2900 0.2900-0.0000 ( 7702 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1788 -37.1788 -37.1748 -37.1748 -36.8949 -36.8949 -36.8907 -36.8907 -36.8864 -36.8864 -36.8825 -36.8825 -24.9447 -24.9447 -24.9320 -24.9320 -8.7242 -8.7242 -8.6915 -8.6915 -8.4988 -8.4988 -8.4421 -8.4421 -8.3882 -8.3882 -8.3382 -8.3382 -3.6356 -3.6356 -3.3001 -3.3001 2.2827 2.2827 2.6883 2.6883 3.2707 3.2707 3.7688 3.7688 4.0297 4.0297 4.2824 4.2824 7.6701 7.6701 8.0620 8.0620 8.1107 8.1107 8.4153 8.4153 10.1768 10.1768 k = 0.2800 0.2800-0.0000 ( 7686 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1789 -37.1789 -37.1746 -37.1746 -36.8949 -36.8949 -36.8904 -36.8904 -36.8867 -36.8867 -36.8825 -36.8825 -24.9454 -24.9454 -24.9316 -24.9316 -8.7247 -8.7247 -8.6892 -8.6892 -8.4972 -8.4972 -8.4421 -8.4421 -8.3864 -8.3864 -8.3371 -8.3371 -3.6612 -3.6612 -3.3005 -3.3005 2.2916 2.2916 2.7338 2.7338 3.2702 3.2702 3.7700 3.7700 4.0623 4.0623 4.3150 4.3150 7.7235 7.7235 8.0924 8.0924 8.1426 8.1426 8.4666 8.4666 10.0343 10.0343 k = 0.2700 0.2700-0.0000 ( 7698 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1791 -37.1791 -37.1745 -37.1745 -36.8949 -36.8949 -36.8900 -36.8900 -36.8870 -36.8870 -36.8825 -36.8825 -24.9461 -24.9461 -24.9313 -24.9313 -8.7251 -8.7251 -8.6868 -8.6868 -8.4954 -8.4954 -8.4422 -8.4422 -8.3844 -8.3844 -8.3360 -8.3360 -3.6872 -3.6872 -3.3014 -3.3014 2.2997 2.2997 2.7810 2.7810 3.2728 3.2728 3.7734 3.7734 4.0961 4.0961 4.3472 4.3472 7.7736 7.7736 8.1193 8.1193 8.1762 8.1762 8.5232 8.5232 9.8944 9.8944 k = 0.2600 0.2600-0.0000 ( 7693 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1792 -37.1792 -37.1743 -37.1743 -36.8950 -36.8950 -36.8897 -36.8897 -36.8873 -36.8873 -36.8825 -36.8825 -24.9469 -24.9469 -24.9310 -24.9310 -8.7255 -8.7255 -8.6842 -8.6842 -8.4934 -8.4934 -8.4423 -8.4423 -8.3824 -8.3824 -8.3350 -8.3350 -3.7136 -3.7136 -3.3028 -3.3028 2.3064 2.3064 2.8299 2.8299 3.2784 3.2784 3.7798 3.7798 4.1311 4.1311 4.3789 4.3789 7.8180 7.8180 8.1428 8.1428 8.2112 8.2112 8.5866 8.5866 9.7580 9.7580 k = 0.2500 0.2500-0.0000 ( 7689 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1793 -37.1793 -37.1741 -37.1741 -36.8950 -36.8950 -36.8894 -36.8894 -36.8875 -36.8875 -36.8824 -36.8824 -24.9476 -24.9476 -24.9307 -24.9307 -8.7260 -8.7260 -8.6816 -8.6816 -8.4914 -8.4914 -8.4424 -8.4424 -8.3804 -8.3804 -8.3340 -8.3340 -3.7403 -3.7403 -3.3048 -3.3048 2.3117 2.3117 2.8805 2.8805 3.2871 3.2871 3.7898 3.7898 4.1672 4.1672 4.4098 4.4098 7.8546 7.8546 8.1627 8.1627 8.2474 8.2474 8.6576 8.6576 9.6263 9.6263 k = 0.2400 0.2400-0.0000 ( 7699 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1795 -37.1795 -37.1740 -37.1740 -36.8951 -36.8951 -36.8892 -36.8892 -36.8878 -36.8878 -36.8824 -36.8824 -24.9484 -24.9484 -24.9304 -24.9304 -8.7263 -8.7263 -8.6788 -8.6788 -8.4894 -8.4894 -8.4425 -8.4425 -8.3783 -8.3783 -8.3330 -8.3330 -3.7671 -3.7671 -3.3072 -3.3072 2.3151 2.3151 2.9326 2.9326 3.2990 3.2990 3.8038 3.8038 4.2042 4.2042 4.4398 4.4398 7.8815 7.8815 8.1785 8.1785 8.2847 8.2847 8.7372 8.7372 9.5005 9.5005 k = 0.2300 0.2300-0.0000 ( 7691 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1797 -37.1797 -37.1738 -37.1738 -36.8952 -36.8952 -36.8889 -36.8889 -36.8880 -36.8880 -36.8823 -36.8823 -24.9491 -24.9491 -24.9300 -24.9300 -8.7267 -8.7267 -8.6759 -8.6759 -8.4873 -8.4873 -8.4426 -8.4426 -8.3763 -8.3763 -8.3320 -8.3320 -3.7939 -3.7939 -3.3101 -3.3101 2.3164 2.3164 2.9861 2.9861 3.3139 3.3139 3.8224 3.8224 4.2423 4.2423 4.4685 4.4685 7.8974 7.8974 8.1895 8.1895 8.3225 8.3225 8.8255 8.8255 9.3822 9.3822 k = 0.2200 0.2200-0.0000 ( 7699 PWs) bands (ev): -70.2365 -70.2365 -70.2351 -70.2351 -37.1798 -37.1798 -37.1736 -37.1736 -36.8953 -36.8953 -36.8886 -36.8886 -36.8883 -36.8883 -36.8823 -36.8823 -24.9498 -24.9498 -24.9297 -24.9297 -8.7270 -8.7270 -8.6730 -8.6730 -8.4853 -8.4853 -8.4426 -8.4426 -8.3743 -8.3743 -8.3309 -8.3309 -3.8208 -3.8208 -3.3135 -3.3135 2.3156 2.3156 3.0409 3.0409 3.3319 3.3319 3.8458 3.8458 4.2811 4.2811 4.4958 4.4958 7.9017 7.9017 8.1946 8.1946 8.3600 8.3600 8.9223 8.9223 9.2727 9.2727 k = 0.2100 0.2100-0.0000 ( 7699 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1800 -37.1800 -37.1734 -37.1734 -36.8954 -36.8954 -36.8885 -36.8885 -36.8884 -36.8884 -36.8822 -36.8822 -24.9506 -24.9506 -24.9294 -24.9294 -8.7273 -8.7273 -8.6700 -8.6700 -8.4833 -8.4833 -8.4424 -8.4424 -8.3724 -8.3724 -8.3298 -8.3298 -3.8474 -3.8474 -3.3173 -3.3173 2.3125 2.3125 3.0969 3.0969 3.3529 3.3529 3.8743 3.8743 4.3206 4.3206 4.5215 4.5215 7.8942 7.8942 8.1920 8.1920 8.3954 8.3954 9.0269 9.0269 9.1389 9.1389 k = 0.2000 0.2000-0.0000 ( 7701 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1801 -37.1801 -37.1733 -37.1733 -36.8955 -36.8955 -36.8887 -36.8887 -36.8881 -36.8881 -36.8821 -36.8821 -24.9513 -24.9513 -24.9291 -24.9291 -8.7275 -8.7275 -8.6669 -8.6669 -8.4815 -8.4815 -8.4421 -8.4421 -8.3707 -8.3707 -8.3286 -8.3286 -3.8737 -3.8737 -3.3215 -3.3215 2.3072 2.3072 3.1541 3.1541 3.3768 3.3768 3.9080 3.9080 4.3608 4.3608 4.5453 4.5453 7.8752 7.8752 8.1796 8.1796 8.4253 8.4253 9.0133 9.0133 9.0948 9.0948 k = 0.1900 0.1900-0.0000 ( 7699 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1803 -37.1803 -37.1731 -37.1731 -36.8957 -36.8957 -36.8889 -36.8889 -36.8879 -36.8879 -36.8820 -36.8820 -24.9520 -24.9520 -24.9288 -24.9288 -8.7277 -8.7277 -8.6638 -8.6638 -8.4799 -8.4799 -8.4416 -8.4416 -8.3692 -8.3692 -8.3272 -8.3272 -3.8997 -3.8997 -3.3261 -3.3261 2.2999 2.2999 3.2121 3.2121 3.4036 3.4036 3.9468 3.9468 4.4013 4.4013 4.5670 4.5670 7.8452 7.8452 8.1551 8.1551 8.4420 8.4420 8.9060 8.9060 9.0309 9.0309 k = 0.1800 0.1800-0.0000 ( 7705 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1804 -37.1804 -37.1730 -37.1730 -36.8958 -36.8958 -36.8890 -36.8890 -36.8877 -36.8877 -36.8819 -36.8819 -24.9527 -24.9527 -24.9285 -24.9285 -8.7279 -8.7279 -8.6607 -8.6607 -8.4786 -8.4786 -8.4409 -8.4409 -8.3679 -8.3679 -8.3258 -8.3258 -3.9251 -3.9251 -3.3309 -3.3309 2.2907 2.2907 3.2709 3.2709 3.4330 3.4330 3.9905 3.9905 4.4421 4.4421 4.5865 4.5865 7.8050 7.8050 8.1172 8.1172 8.4315 8.4315 8.8309 8.8309 8.9866 8.9866 k = 0.1700 0.1700-0.0000 ( 7705 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1806 -37.1806 -37.1728 -37.1728 -36.8960 -36.8960 -36.8892 -36.8892 -36.8875 -36.8875 -36.8818 -36.8818 -24.9533 -24.9533 -24.9282 -24.9282 -8.7280 -8.7280 -8.6575 -8.6575 -8.4774 -8.4774 -8.4400 -8.4400 -8.3668 -8.3668 -8.3241 -8.3241 -3.9499 -3.9499 -3.3359 -3.3359 2.2799 2.2799 3.3301 3.3301 3.4650 3.4650 4.0390 4.0390 4.4830 4.4830 4.6036 4.6036 7.7556 7.7556 8.0663 8.0663 8.3803 8.3803 8.8016 8.8016 8.9623 8.9623 k = 0.1600 0.1600-0.0000 ( 7703 PWs) bands (ev): -70.2367 -70.2367 -70.2349 -70.2349 -37.1807 -37.1807 -37.1727 -37.1727 -36.8961 -36.8961 -36.8893 -36.8893 -36.8874 -36.8874 -36.8816 -36.8816 -24.9540 -24.9540 -24.9279 -24.9279 -8.7280 -8.7280 -8.6544 -8.6544 -8.4766 -8.4766 -8.4388 -8.4388 -8.3659 -8.3659 -8.3224 -8.3224 -3.9740 -3.9740 -3.3412 -3.3412 2.2677 2.2677 3.3897 3.3897 3.4995 3.4995 4.0919 4.0919 4.5236 4.5236 4.6182 4.6182 7.6980 7.6980 8.0044 8.0044 8.2951 8.2951 8.8117 8.8117 8.9563 8.9563 k = 0.1500 0.1500-0.0000 ( 7709 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1808 -37.1808 -37.1726 -37.1726 -36.8963 -36.8963 -36.8894 -36.8894 -36.8872 -36.8872 -36.8815 -36.8815 -24.9546 -24.9546 -24.9277 -24.9277 -8.7281 -8.7281 -8.6512 -8.6512 -8.4761 -8.4761 -8.4374 -8.4374 -8.3653 -8.3653 -8.3205 -8.3205 -3.9973 -3.9973 -3.3465 -3.3465 2.2545 2.2545 3.4493 3.4493 3.5362 3.5362 4.1487 4.1487 4.5636 4.5636 4.6305 4.6305 7.6333 7.6333 7.9343 7.9343 8.1925 8.1925 8.8448 8.8448 8.9661 8.9661 k = 0.1400 0.1400-0.0000 ( 7709 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1810 -37.1810 -37.1724 -37.1724 -36.8964 -36.8964 -36.8895 -36.8895 -36.8871 -36.8871 -36.8813 -36.8813 -24.9552 -24.9552 -24.9274 -24.9274 -8.7281 -8.7281 -8.6481 -8.6481 -8.4758 -8.4758 -8.4358 -8.4358 -8.3650 -8.3650 -8.3184 -8.3184 -4.0196 -4.0196 -3.3518 -3.3518 2.2406 2.2406 3.5086 3.5086 3.5749 3.5749 4.2091 4.2091 4.6013 4.6013 4.6415 4.6415 7.5627 7.5627 7.8594 7.8594 8.0838 8.0838 8.8900 8.8900 8.9887 8.9887 k = 0.1300 0.1300-0.0000 ( 7723 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1811 -37.1811 -37.1723 -37.1723 -36.8966 -36.8966 -36.8896 -36.8896 -36.8870 -36.8870 -36.8812 -36.8812 -24.9557 -24.9557 -24.9272 -24.9272 -8.7280 -8.7280 -8.6450 -8.6450 -8.4758 -8.4758 -8.4341 -8.4341 -8.3648 -8.3648 -8.3163 -8.3163 -4.0409 -4.0409 -3.3572 -3.3572 2.2263 2.2263 3.5672 3.5672 3.6155 3.6155 4.2725 4.2725 4.6298 4.6298 4.6581 4.6581 7.4873 7.4873 7.7824 7.7824 7.9744 7.9744 8.9420 8.9420 9.0215 9.0215 k = 0.1200 0.1200-0.0000 ( 7713 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1812 -37.1812 -37.1722 -37.1722 -36.8968 -36.8968 -36.8897 -36.8897 -36.8869 -36.8869 -36.8810 -36.8810 -24.9562 -24.9562 -24.9270 -24.9270 -8.7280 -8.7280 -8.6420 -8.6420 -8.4760 -8.4760 -8.4323 -8.4323 -8.3648 -8.3648 -8.3141 -8.3141 -4.0610 -4.0610 -3.3624 -3.3624 2.2119 2.2119 3.6244 3.6244 3.6579 3.6579 4.3382 4.3382 4.6395 4.6395 4.6894 4.6894 7.4084 7.4084 7.7055 7.7055 7.8672 7.8672 8.9981 8.9981 9.0622 9.0622 k = 0.1100 0.1100-0.0000 ( 7721 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1813 -37.1813 -37.1721 -37.1721 -36.8969 -36.8969 -36.8897 -36.8897 -36.8868 -36.8868 -36.8809 -36.8809 -24.9567 -24.9567 -24.9268 -24.9268 -8.7279 -8.7279 -8.6390 -8.6390 -8.4764 -8.4764 -8.4304 -8.4304 -8.3650 -8.3650 -8.3119 -8.3119 -4.0799 -4.0799 -3.3675 -3.3675 2.1977 2.1977 3.6794 3.6794 3.7023 3.7023 4.4056 4.4056 4.6408 4.6408 4.7249 4.7249 7.3271 7.3271 7.6304 7.6304 7.7637 7.7637 9.0570 9.0570 9.1091 9.1091 k = 0.1000 0.1000-0.0000 ( 7709 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1814 -37.1814 -37.1720 -37.1720 -36.8971 -36.8971 -36.8898 -36.8898 -36.8868 -36.8868 -36.8807 -36.8807 -24.9572 -24.9572 -24.9266 -24.9266 -8.7279 -8.7279 -8.6362 -8.6362 -8.4769 -8.4769 -8.4286 -8.4286 -8.3653 -8.3653 -8.3097 -8.3097 -4.0974 -4.0974 -3.3724 -3.3724 2.1838 2.1838 3.7308 3.7308 3.7491 3.7491 4.4739 4.4739 4.6381 4.6381 4.7599 4.7599 7.2445 7.2445 7.5585 7.5585 7.6652 7.6652 9.1176 9.1176 9.1523 9.1523 k = 0.0900 0.0900-0.0000 ( 7711 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1815 -37.1815 -37.1719 -37.1719 -36.8972 -36.8972 -36.8898 -36.8898 -36.8867 -36.8867 -36.8806 -36.8806 -24.9576 -24.9576 -24.9264 -24.9264 -8.7278 -8.7278 -8.6335 -8.6335 -8.4774 -8.4774 -8.4267 -8.4267 -8.3657 -8.3657 -8.3076 -8.3076 -4.1136 -4.1136 -3.3771 -3.3771 2.1707 2.1707 3.7783 3.7783 3.7978 3.7978 4.5417 4.5417 4.6328 4.6328 4.7933 4.7933 7.1621 7.1621 7.4909 7.4909 7.5726 7.5726 9.0776 9.0776 9.1790 9.1790 k = 0.0800 0.0800-0.0000 ( 7711 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8973 -36.8973 -36.8898 -36.8898 -36.8867 -36.8867 -36.8805 -36.8805 -24.9580 -24.9580 -24.9262 -24.9262 -8.7277 -8.7277 -8.6310 -8.6310 -8.4781 -8.4781 -8.4250 -8.4250 -8.3662 -8.3662 -8.3056 -8.3056 -4.1283 -4.1283 -3.3813 -3.3813 2.1584 2.1584 3.8232 3.8232 3.8458 3.8458 4.6021 4.6021 4.6313 4.6313 4.8247 4.8247 7.0811 7.0811 7.4284 7.4284 7.4868 7.4868 9.0091 9.0091 9.2404 9.2404 k = 0.0700 0.0700-0.0000 ( 7715 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8974 -36.8974 -36.8899 -36.8899 -36.8867 -36.8867 -36.8804 -36.8804 -24.9583 -24.9583 -24.9261 -24.9261 -8.7276 -8.7276 -8.6287 -8.6287 -8.4788 -8.4788 -8.4234 -8.4234 -8.3667 -8.3667 -8.3037 -8.3037 -4.1414 -4.1414 -3.3853 -3.3853 2.1471 2.1471 3.8661 3.8661 3.8914 3.8914 4.6074 4.6074 4.6804 4.6804 4.8536 4.8536 7.0029 7.0029 7.3718 7.3718 7.4086 7.4086 8.9474 8.9474 9.3008 9.3008 k = 0.0600 0.0600-0.0000 ( 7709 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1817 -37.1817 -37.1717 -37.1717 -36.8976 -36.8976 -36.8899 -36.8899 -36.8866 -36.8866 -36.8802 -36.8802 -24.9586 -24.9586 -24.9260 -24.9260 -8.7275 -8.7275 -8.6266 -8.6266 -8.4794 -8.4794 -8.4219 -8.4219 -8.3672 -8.3672 -8.3020 -8.3020 -4.1529 -4.1529 -3.3888 -3.3888 2.1371 2.1371 3.9068 3.9068 3.9333 3.9333 4.5954 4.5954 4.7414 4.7414 4.8797 4.8797 6.9292 6.9292 7.3216 7.3216 7.3386 7.3386 8.8930 8.8930 9.3590 9.3590 k = 0.0500 0.0500-0.0000 ( 7707 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8976 -36.8976 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9589 -24.9589 -24.9258 -24.9258 -8.7275 -8.7275 -8.6248 -8.6248 -8.4801 -8.4801 -8.4206 -8.4206 -8.3677 -8.3677 -8.3005 -8.3005 -4.1628 -4.1628 -3.3918 -3.3918 2.1284 2.1284 3.9445 3.9445 3.9707 3.9707 4.5813 4.5813 4.7983 4.7983 4.9028 4.9028 6.8617 6.8617 7.2777 7.2777 7.2785 7.2785 8.8462 8.8462 9.4136 9.4136 k = 0.0400 0.0400-0.0000 ( 7705 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8977 -36.8977 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9591 -24.9591 -24.9258 -24.9258 -8.7274 -8.7274 -8.6233 -8.6233 -8.4806 -8.4806 -8.4195 -8.4195 -8.3682 -8.3682 -8.2993 -8.2993 -4.1709 -4.1709 -3.3943 -3.3943 2.1211 2.1211 3.9779 3.9779 4.0030 4.0030 4.5666 4.5666 4.8482 4.8482 4.9228 4.9228 6.8023 6.8023 7.2268 7.2268 7.2425 7.2425 8.8074 8.8074 9.4626 9.4626 k = 0.0300 0.0300-0.0000 ( 7697 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8800 -36.8800 -24.9592 -24.9592 -24.9257 -24.9257 -8.7274 -8.7274 -8.6220 -8.6220 -8.4811 -8.4811 -8.4186 -8.4186 -8.3686 -8.3686 -8.2983 -8.2983 -4.1773 -4.1773 -3.3963 -3.3963 2.1153 2.1153 4.0058 4.0058 4.0296 4.0296 4.5528 4.5528 4.8887 4.8887 4.9401 4.9401 6.7531 6.7531 7.1864 7.1864 7.2142 7.2142 8.7769 8.7769 9.5041 9.5041 k = 0.0200 0.0200-0.0000 ( 7697 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8800 -36.8800 -24.9594 -24.9594 -24.9256 -24.9256 -8.7273 -8.7273 -8.6211 -8.6211 -8.4814 -8.4814 -8.4179 -8.4179 -8.3689 -8.3689 -8.2975 -8.2975 -4.1818 -4.1818 -3.3977 -3.3977 2.1112 2.1112 4.0267 4.0267 4.0498 4.0498 4.5413 4.5413 4.9171 4.9171 4.9549 4.9549 6.7161 6.7161 7.1571 7.1571 7.1938 7.1938 8.7549 8.7549 9.5355 9.5355 k = 0.0100 0.0100-0.0000 ( 7691 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7273 -8.7273 -8.6206 -8.6206 -8.4817 -8.4817 -8.4175 -8.4175 -8.3690 -8.3690 -8.2971 -8.2971 -4.1846 -4.1846 -3.3986 -3.3986 2.1087 2.1087 4.0396 4.0396 4.0626 4.0626 4.5336 4.5336 4.9325 4.9325 4.9663 4.9663 6.6931 6.6931 7.1393 7.1393 7.1816 7.1816 8.7417 8.7417 9.5550 9.5550 k = 0.0000 0.0000 0.0000 ( 7687 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7273 -8.7273 -8.6204 -8.6204 -8.4817 -8.4817 -8.4174 -8.4174 -8.3691 -8.3691 -8.2969 -8.2969 -4.1855 -4.1855 -3.3989 -3.3989 2.1078 2.1078 4.0439 4.0439 4.0670 4.0670 4.5309 4.5309 4.9371 4.9371 4.9707 4.9707 6.6853 6.6853 7.1333 7.1333 7.1774 7.1774 8.7372 8.7372 9.5615 9.5615 k = 0.0000 0.0000 0.0000 ( 7687 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7273 -8.7273 -8.6204 -8.6204 -8.4817 -8.4817 -8.4174 -8.4174 -8.3691 -8.3691 -8.2969 -8.2969 -4.1855 -4.1855 -3.3989 -3.3989 2.1078 2.1078 4.0439 4.0439 4.0670 4.0670 4.5309 4.5309 4.9371 4.9371 4.9707 4.9707 6.6853 6.6853 7.1333 7.1333 7.1774 7.1774 8.7372 8.7372 9.5615 9.5615 k = 0.0000 0.0000 0.0140 ( 7691 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7273 -8.7273 -8.6205 -8.6205 -8.4817 -8.4817 -8.4174 -8.4174 -8.3691 -8.3691 -8.2970 -8.2970 -4.1848 -4.1848 -3.3995 -3.3995 2.1078 2.1078 4.0436 4.0436 4.0667 4.0667 4.5259 4.5259 4.9373 4.9373 4.9710 4.9710 6.6928 6.6928 7.1345 7.1345 7.1800 7.1800 8.7325 8.7325 9.5638 9.5638 k = 0.0000 0.0000 0.0281 ( 7691 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7272 -8.7272 -8.6207 -8.6207 -8.4816 -8.4816 -8.4174 -8.4174 -8.3693 -8.3693 -8.2970 -8.2970 -4.1826 -4.1826 -3.4013 -3.4013 2.1079 2.1079 4.0429 4.0429 4.0660 4.0660 4.5114 4.5114 4.9380 4.9380 4.9717 4.9717 6.7149 6.7149 7.1382 7.1382 7.1877 7.1877 8.7186 8.7186 9.5707 9.5707 k = 0.0000 0.0000 0.0421 ( 7699 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9595 -24.9595 -24.9256 -24.9256 -8.7270 -8.7270 -8.6210 -8.6210 -8.4814 -8.4814 -8.4174 -8.4174 -8.3696 -8.3696 -8.2970 -8.2970 -4.1791 -4.1791 -3.4043 -3.4043 2.1080 2.1080 4.0416 4.0416 4.0647 4.0647 4.4879 4.4879 4.9391 4.9391 4.9730 4.9730 6.7510 6.7510 7.1444 7.1444 7.2004 7.2004 8.6959 8.6959 9.5821 9.5821 k = 0.0000 0.0000 0.0561 ( 7687 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7268 -8.7268 -8.6214 -8.6214 -8.4812 -8.4812 -8.4173 -8.4173 -8.3699 -8.3699 -8.2970 -8.2970 -4.1742 -4.1742 -3.4085 -3.4085 2.1082 2.1082 4.0400 4.0400 4.0629 4.0629 4.4567 4.4567 4.9406 4.9406 4.9748 4.9748 6.7996 6.7996 7.1530 7.1530 7.2180 7.2180 8.6654 8.6654 9.5981 9.5981 k = 0.0000 0.0000 0.0702 ( 7695 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7265 -8.7265 -8.6220 -8.6220 -8.4809 -8.4809 -8.4173 -8.4173 -8.3703 -8.3703 -8.2971 -8.2971 -4.1680 -4.1680 -3.4138 -3.4138 2.1085 2.1085 4.0379 4.0379 4.0608 4.0608 4.4191 4.4191 4.9426 4.9426 4.9769 4.9769 6.8593 6.8593 7.1641 7.1641 7.2404 7.2404 8.6281 8.6281 9.6186 9.6186 k = 0.0000 0.0000 0.0842 ( 7691 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7262 -8.7262 -8.6226 -8.6226 -8.4806 -8.4806 -8.4173 -8.4173 -8.3709 -8.3709 -8.2971 -8.2971 -4.1606 -4.1606 -3.4201 -3.4201 2.1089 2.1089 4.0354 4.0354 4.0583 4.0583 4.3765 4.3765 4.9449 4.9449 4.9795 4.9795 6.9283 6.9283 7.1776 7.1776 7.2674 7.2674 8.5851 8.5851 9.6436 9.6436 k = 0.0000 0.0000 0.0982 ( 7695 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8900 -36.8900 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7258 -8.7258 -8.6233 -8.6233 -8.4802 -8.4802 -8.4172 -8.4172 -8.3715 -8.3715 -8.2971 -8.2971 -4.1521 -4.1521 -3.4274 -3.4274 2.1095 2.1095 4.0327 4.0327 4.0554 4.0554 4.3304 4.3304 4.9474 4.9474 4.9823 4.9823 7.0046 7.0046 7.1934 7.1934 7.2991 7.2991 8.5375 8.5375 9.6730 9.6730 k = 0.0000 0.0000 0.1123 ( 7699 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8978 -36.8978 -36.8900 -36.8900 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9256 -24.9256 -8.7254 -8.7254 -8.6242 -8.6242 -8.4798 -8.4798 -8.4172 -8.4172 -8.3721 -8.3721 -8.2972 -8.2972 -4.1426 -4.1426 -3.4355 -3.4355 2.1103 2.1103 4.0297 4.0297 4.0524 4.0524 4.2822 4.2822 4.9502 4.9502 4.9854 4.9854 7.0860 7.0860 7.2115 7.2115 7.3356 7.3356 8.4863 8.4863 9.7067 9.7067 k = 0.0000 0.0000 0.1263 ( 7707 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8900 -36.8900 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9257 -24.9257 -8.7250 -8.7250 -8.6250 -8.6250 -8.4794 -8.4794 -8.4171 -8.4171 -8.3728 -8.3728 -8.2973 -8.2973 -4.1323 -4.1323 -3.4445 -3.4445 2.1113 2.1113 4.0266 4.0266 4.0492 4.0492 4.2330 4.2330 4.9532 4.9532 4.9886 4.9886 7.1697 7.1697 7.2319 7.2319 7.3777 7.3777 8.4326 8.4326 9.7446 9.7446 k = 0.0000 0.0000 0.1403 ( 7687 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9257 -24.9257 -8.7245 -8.7245 -8.6259 -8.6259 -8.4789 -8.4789 -8.4171 -8.4171 -8.3735 -8.3735 -8.2973 -8.2973 -4.1214 -4.1214 -3.4540 -3.4540 2.1125 2.1125 4.0234 4.0234 4.0459 4.0459 4.1840 4.1840 4.9563 4.9563 4.9919 4.9919 7.2518 7.2518 7.2544 7.2544 7.4275 7.4275 8.3771 8.3771 9.7867 9.7867 k = 0.0000 0.0000 0.1544 ( 7695 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9257 -24.9257 -8.7240 -8.7240 -8.6268 -8.6268 -8.4785 -8.4785 -8.4170 -8.4170 -8.3742 -8.3742 -8.2974 -8.2974 -4.1099 -4.1099 -3.4640 -3.4640 2.1139 2.1139 4.0202 4.0202 4.0426 4.0426 4.1361 4.1361 4.9594 4.9594 4.9952 4.9952 7.2790 7.2790 7.3268 7.3268 7.4882 7.4882 8.3207 8.3207 9.8327 9.8327 k = 0.0000 0.0000 0.1684 ( 7699 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9257 -24.9257 -8.7236 -8.7236 -8.6277 -8.6277 -8.4780 -8.4780 -8.4169 -8.4169 -8.3749 -8.3749 -8.2974 -8.2974 -4.0982 -4.0982 -3.4743 -3.4743 2.1154 2.1154 4.0170 4.0170 4.0393 4.0393 4.0903 4.0903 4.9624 4.9624 4.9985 4.9985 7.3055 7.3055 7.3907 7.3907 7.5620 7.5620 8.2640 8.2640 9.8823 9.8823 k = 0.0000 0.0000 0.1824 ( 7699 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8865 -36.8865 -36.8799 -36.8799 -24.9594 -24.9594 -24.9257 -24.9257 -8.7231 -8.7231 -8.6286 -8.6286 -8.4776 -8.4776 -8.4169 -8.4169 -8.3756 -8.3756 -8.2975 -8.2975 -4.0866 -4.0866 -3.4846 -3.4846 2.1171 2.1171 4.0139 4.0139 4.0362 4.0362 4.0474 4.0474 4.9653 4.9653 5.0016 5.0016 7.3336 7.3336 7.4434 7.4434 7.6465 7.6465 8.2078 8.2078 9.9333 9.9333 k = 0.0000 0.0000 0.1964 ( 7727 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9594 -24.9594 -24.9257 -24.9257 -8.7226 -8.7226 -8.6295 -8.6295 -8.4771 -8.4771 -8.4168 -8.4168 -8.3763 -8.3763 -8.2975 -8.2975 -4.0751 -4.0751 -3.4948 -3.4948 2.1189 2.1189 4.0066 4.0066 4.0122 4.0122 4.0333 4.0333 4.9680 4.9680 5.0045 5.0045 7.3632 7.3632 7.4880 7.4880 7.7365 7.7365 8.1527 8.1527 9.8596 9.8596 k = 0.0000 0.0000 0.2105 ( 7719 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7222 -8.7222 -8.6303 -8.6303 -8.4767 -8.4767 -8.4168 -8.4168 -8.3769 -8.3769 -8.2976 -8.2976 -4.0643 -4.0643 -3.5044 -3.5044 2.1206 2.1206 3.9720 3.9720 4.0088 4.0088 4.0306 4.0306 4.9705 4.9705 5.0071 5.0071 7.3937 7.3937 7.5266 7.5266 7.8272 7.8272 8.0995 8.0995 9.7627 9.7627 k = 0.0000 0.0000 0.2245 ( 7739 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7218 -8.7218 -8.6310 -8.6310 -8.4764 -8.4764 -8.4167 -8.4167 -8.3774 -8.3774 -8.2976 -8.2976 -4.0543 -4.0543 -3.5133 -3.5133 2.1223 2.1223 3.9411 3.9411 4.0064 4.0064 4.0283 4.0283 4.9727 4.9727 5.0095 5.0095 7.4245 7.4245 7.5598 7.5598 7.9148 7.9148 8.0490 8.0490 9.6716 9.6716 k = 0.0000 0.0000 0.2385 ( 7735 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7215 -8.7215 -8.6316 -8.6316 -8.4761 -8.4761 -8.4167 -8.4167 -8.3779 -8.3779 -8.2977 -8.2977 -4.0456 -4.0456 -3.5212 -3.5212 2.1239 2.1239 3.9152 3.9152 4.0045 4.0045 4.0263 4.0263 4.9746 4.9746 5.0115 5.0115 7.4548 7.4548 7.5877 7.5877 7.9959 7.9959 8.0025 8.0025 9.5888 9.5888 k = 0.0000 0.0000 0.2526 ( 7734 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8799 -36.8799 -24.9593 -24.9593 -24.9257 -24.9257 -8.7212 -8.7212 -8.6320 -8.6320 -8.4759 -8.4759 -8.4167 -8.4167 -8.3783 -8.3783 -8.2977 -8.2977 -4.0384 -4.0384 -3.5277 -3.5277 2.1252 2.1252 3.8946 3.8946 4.0029 4.0029 4.0247 4.0247 4.9761 4.9761 5.0130 5.0130 7.4828 7.4828 7.6101 7.6101 7.9616 7.9616 8.0663 8.0663 9.5175 9.5175 k = 0.0000 0.0000 0.2666 ( 7742 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7210 -8.7210 -8.6324 -8.6324 -8.4757 -8.4757 -8.4167 -8.4167 -8.3785 -8.3785 -8.2977 -8.2977 -4.0330 -4.0330 -3.5326 -3.5326 2.1262 2.1262 3.8797 3.8797 4.0018 4.0018 4.0235 4.0235 4.9771 4.9771 5.0142 5.0142 7.5065 7.5065 7.6264 7.6264 7.9286 7.9286 8.1218 8.1218 9.4617 9.4617 k = 0.0000 0.0000 0.2806 ( 7746 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6326 -8.6326 -8.4756 -8.4756 -8.4167 -8.4167 -8.3787 -8.3787 -8.2977 -8.2977 -4.0297 -4.0297 -3.5356 -3.5356 2.1268 2.1268 3.8707 3.8707 4.0011 4.0011 4.0228 4.0228 4.9778 4.9778 5.0149 5.0149 7.5229 7.5229 7.6363 7.6363 7.9067 7.9067 8.1576 8.1576 9.4258 9.4258 k = 0.0000 0.0000 0.2947 ( 7754 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6327 -8.6327 -8.4755 -8.4755 -8.4166 -8.4166 -8.3787 -8.3787 -8.2977 -8.2977 -4.0285 -4.0285 -3.5367 -3.5367 2.1270 2.1270 3.8676 3.8676 4.0009 4.0009 4.0226 4.0226 4.9780 4.9780 5.0151 5.0151 7.5288 7.5288 7.6396 7.6396 7.8990 7.8990 8.1700 8.1700 9.4134 9.4134 k = 0.0000 0.0000 0.2947 ( 7754 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6327 -8.6327 -8.4755 -8.4755 -8.4166 -8.4166 -8.3787 -8.3787 -8.2977 -8.2977 -4.0285 -4.0285 -3.5367 -3.5367 2.1270 2.1270 3.8676 3.8676 4.0009 4.0009 4.0226 4.0226 4.9780 4.9780 5.0151 5.0151 7.5288 7.5288 7.6396 7.6396 7.8990 7.8990 8.1700 8.1700 9.4134 9.4134 k = 0.0000 0.0139 0.2947 ( 7746 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6329 -8.6329 -8.4755 -8.4755 -8.4168 -8.4168 -8.3786 -8.3786 -8.2979 -8.2979 -4.0278 -4.0278 -3.5362 -3.5362 2.1273 2.1273 3.8472 3.8472 4.0071 4.0071 4.0327 4.0327 4.9750 4.9750 5.0123 5.0123 7.5343 7.5343 7.6430 7.6430 7.9033 7.9033 8.1740 8.1740 9.4025 9.4025 k = 0.0000 0.0278 0.2947 ( 7738 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9592 -24.9592 -24.9258 -24.9258 -8.7210 -8.7210 -8.6334 -8.6334 -8.4753 -8.4753 -8.4173 -8.4173 -8.3783 -8.3783 -8.2983 -8.2983 -4.0256 -4.0256 -3.5347 -3.5347 2.1281 2.1281 3.8003 3.8003 4.0119 4.0119 4.0626 4.0626 4.9642 4.9642 5.0059 5.0059 7.5497 7.5497 7.6544 7.6544 7.9158 7.9158 8.1863 8.1863 9.3710 9.3710 k = 0.0000 0.0417 0.2947 ( 7740 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8978 -36.8978 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9591 -24.9591 -24.9258 -24.9258 -8.7212 -8.7212 -8.6342 -8.6342 -8.4750 -8.4750 -8.4181 -8.4181 -8.3777 -8.3777 -8.2989 -8.2989 -4.0219 -4.0219 -3.5323 -3.5323 2.1295 2.1295 3.7414 3.7414 4.0151 4.0151 4.0985 4.0985 4.9428 4.9428 4.9993 4.9993 7.5704 7.5704 7.6776 7.6776 7.9346 7.9346 8.2080 8.2080 9.3222 9.3222 k = 0.0000 0.0556 0.2947 ( 7732 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8978 -36.8978 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9590 -24.9590 -24.9259 -24.9259 -8.7214 -8.7214 -8.6353 -8.6353 -8.4745 -8.4745 -8.4192 -8.4192 -8.3770 -8.3770 -8.2998 -8.2998 -4.0169 -4.0169 -3.5289 -3.5289 2.1314 2.1314 3.6753 3.6753 4.0186 4.0186 4.1340 4.1340 4.9105 4.9105 4.9937 4.9937 7.5906 7.5906 7.7179 7.7179 7.9573 7.9573 8.2406 8.2406 9.2601 9.2601 k = 0.0000 0.0694 0.2947 ( 7730 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8977 -36.8977 -36.8899 -36.8899 -36.8866 -36.8866 -36.8802 -36.8802 -24.9588 -24.9588 -24.9260 -24.9260 -8.7217 -8.7217 -8.6367 -8.6367 -8.4740 -8.4740 -8.4205 -8.4205 -8.3762 -8.3762 -8.3009 -8.3009 -4.0103 -4.0103 -3.5247 -3.5247 2.1337 2.1337 3.6041 3.6041 4.0229 4.0229 4.1676 4.1676 4.8692 4.8692 4.9883 4.9883 7.6080 7.6080 7.7765 7.7765 7.9811 7.9811 8.2855 8.2855 9.1884 9.1884 k = 0.0000 0.0833 0.2947 ( 7716 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1817 -37.1817 -37.1717 -37.1717 -36.8976 -36.8976 -36.8898 -36.8898 -36.8866 -36.8866 -36.8803 -36.8803 -24.9585 -24.9585 -24.9261 -24.9261 -8.7220 -8.7220 -8.6384 -8.6384 -8.4733 -8.4733 -8.4220 -8.4220 -8.3753 -8.3753 -8.3022 -8.3022 -4.0024 -4.0024 -3.5196 -3.5196 2.1363 2.1363 3.5288 3.5288 4.0280 4.0280 4.1990 4.1990 4.8207 4.8207 4.9827 4.9827 7.6235 7.6235 7.8513 7.8513 8.0042 8.0042 8.3434 8.3434 9.1104 9.1104 k = 0.0000 0.0972 0.2947 ( 7720 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8975 -36.8975 -36.8898 -36.8898 -36.8867 -36.8867 -36.8804 -36.8804 -24.9582 -24.9582 -24.9262 -24.9262 -8.7225 -8.7225 -8.6404 -8.6404 -8.4725 -8.4725 -8.4237 -8.4237 -8.3743 -8.3743 -8.3037 -8.3037 -3.9931 -3.9931 -3.5137 -3.5137 2.1391 2.1391 3.4503 3.4503 4.0339 4.0339 4.2282 4.2282 4.7667 4.7667 4.9765 4.9765 7.6386 7.6386 7.9391 7.9391 8.0255 8.0255 8.4135 8.4135 9.0287 9.0287 k = 0.0000 0.1111 0.2947 ( 7716 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8973 -36.8973 -36.8898 -36.8898 -36.8867 -36.8867 -36.8805 -36.8805 -24.9579 -24.9579 -24.9263 -24.9263 -8.7230 -8.7230 -8.6426 -8.6426 -8.4717 -8.4717 -8.4255 -8.4255 -8.3733 -8.3733 -8.3053 -8.3053 -3.9825 -3.9825 -3.5071 -3.5071 2.1420 2.1420 3.3693 3.3693 4.0407 4.0407 4.2554 4.2554 4.7087 4.7087 4.9696 4.9696 7.6542 7.6542 8.0357 8.0357 8.0463 8.0463 8.4946 8.4946 8.9462 8.9462 k = 0.0000 0.1250 0.2947 ( 7704 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1815 -37.1815 -37.1719 -37.1719 -36.8972 -36.8972 -36.8898 -36.8898 -36.8867 -36.8867 -36.8806 -36.8806 -24.9575 -24.9575 -24.9265 -24.9265 -8.7235 -8.7235 -8.6451 -8.6451 -8.4708 -8.4708 -8.4273 -8.4273 -8.3724 -8.3724 -8.3071 -8.3071 -3.9705 -3.9705 -3.4998 -3.4998 2.1447 2.1447 3.2864 3.2864 4.0484 4.0484 4.2807 4.2807 4.6479 4.6479 4.9620 4.9620 7.6708 7.6708 8.0623 8.0623 8.1419 8.1419 8.5849 8.5849 8.8664 8.8664 k = 0.0000 0.1389 0.2947 ( 7712 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1814 -37.1814 -37.1720 -37.1720 -36.8970 -36.8970 -36.8898 -36.8898 -36.8867 -36.8867 -36.8808 -36.8808 -24.9571 -24.9571 -24.9267 -24.9267 -8.7242 -8.7242 -8.6478 -8.6478 -8.4698 -8.4698 -8.4292 -8.4292 -8.3715 -8.3715 -8.3089 -8.3089 -3.9573 -3.9573 -3.4919 -3.4919 2.1472 2.1472 3.2023 3.2023 4.0569 4.0569 4.3045 4.3045 4.5856 4.5856 4.9536 4.9536 7.6885 7.6885 8.0786 8.0786 8.2462 8.2462 8.6827 8.6827 8.7956 8.7956 k = 0.0000 0.1528 0.2947 ( 7716 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1813 -37.1813 -37.1721 -37.1721 -36.8969 -36.8969 -36.8897 -36.8897 -36.8868 -36.8868 -36.8810 -36.8810 -24.9567 -24.9567 -24.9269 -24.9269 -8.7250 -8.7250 -8.6507 -8.6507 -8.4689 -8.4689 -8.4311 -8.4311 -8.3706 -8.3706 -8.3109 -8.3109 -3.9429 -3.9429 -3.4835 -3.4835 2.1492 2.1492 3.1176 3.1176 4.0663 4.0663 4.3267 4.3267 4.5231 4.5231 4.9443 4.9443 7.7075 7.7075 8.0935 8.0935 8.3355 8.3355 8.7483 8.7483 8.7872 8.7872 k = 0.0000 0.1667 0.2947 ( 7712 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1812 -37.1812 -37.1722 -37.1722 -36.8967 -36.8967 -36.8897 -36.8897 -36.8868 -36.8868 -36.8812 -36.8812 -24.9562 -24.9562 -24.9271 -24.9271 -8.7258 -8.7258 -8.6537 -8.6537 -8.4679 -8.4679 -8.4330 -8.4330 -8.3698 -8.3698 -8.3128 -8.3128 -3.9273 -3.9273 -3.4747 -3.4747 2.1504 2.1504 3.0329 3.0329 4.0765 4.0765 4.3475 4.3475 4.4612 4.4612 4.9342 4.9342 7.7275 7.7275 8.1068 8.1068 8.3784 8.3784 8.7570 8.7570 8.8958 8.8958 k = 0.0000 0.1806 0.2947 ( 7696 PWs) bands (ev): -70.2368 -70.2368 -70.2348 -70.2348 -37.1810 -37.1810 -37.1723 -37.1723 -36.8965 -36.8965 -36.8896 -36.8896 -36.8868 -36.8868 -36.8814 -36.8814 -24.9557 -24.9557 -24.9274 -24.9274 -8.7267 -8.7267 -8.6569 -8.6569 -8.4669 -8.4669 -8.4349 -8.4349 -8.3691 -8.3691 -8.3148 -8.3148 -3.9106 -3.9106 -3.4656 -3.4656 2.1507 2.1507 2.9487 2.9487 4.0874 4.0874 4.3662 4.3662 4.4017 4.4017 4.9233 4.9233 7.7486 7.7486 8.1184 8.1184 8.3592 8.3592 8.8364 8.8364 9.0083 9.0083 k = 0.0000 0.1944 0.2947 ( 7696 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1809 -37.1809 -37.1724 -37.1724 -36.8962 -36.8962 -36.8896 -36.8896 -36.8869 -36.8869 -36.8816 -36.8816 -24.9552 -24.9552 -24.9276 -24.9276 -8.7276 -8.7276 -8.6602 -8.6602 -8.4659 -8.4659 -8.4366 -8.4366 -8.3685 -8.3685 -8.3168 -8.3168 -3.8929 -3.8929 -3.4563 -3.4563 2.1498 2.1498 2.8655 2.8655 4.0992 4.0992 4.3416 4.3416 4.3867 4.3867 4.9116 4.9116 7.7703 7.7703 8.1281 8.1281 8.3050 8.3050 8.9598 8.9598 9.1235 9.1235 k = 0.0000 0.2083 0.2947 ( 7690 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1808 -37.1808 -37.1726 -37.1726 -36.8960 -36.8960 -36.8896 -36.8896 -36.8869 -36.8869 -36.8818 -36.8818 -24.9546 -24.9546 -24.9279 -24.9279 -8.7286 -8.7286 -8.6636 -8.6636 -8.4650 -8.4650 -8.4384 -8.4384 -8.3680 -8.3680 -8.3187 -8.3187 -3.8743 -3.8743 -3.4470 -3.4470 2.1475 2.1475 2.7837 2.7837 4.1116 4.1116 4.2875 4.2875 4.4030 4.4030 4.8991 4.8991 7.7920 7.7920 8.1354 8.1354 8.2394 8.2394 9.1041 9.1041 9.2404 9.2404 k = 0.0000 0.2222 0.2947 ( 7694 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1806 -37.1806 -37.1727 -37.1727 -36.8958 -36.8958 -36.8895 -36.8895 -36.8870 -36.8870 -36.8821 -36.8821 -24.9540 -24.9540 -24.9282 -24.9282 -8.7297 -8.7297 -8.6672 -8.6672 -8.4642 -8.4642 -8.4400 -8.4400 -8.3676 -8.3676 -8.3206 -8.3206 -3.8547 -3.8547 -3.4377 -3.4377 2.1435 2.1435 2.7037 2.7037 4.1247 4.1247 4.2370 4.2370 4.4182 4.4182 4.8859 4.8859 7.8124 7.8124 8.1395 8.1395 8.1733 8.1733 9.2597 9.2597 9.3575 9.3575 k = 0.0000 0.2361 0.2947 ( 7684 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1805 -37.1805 -37.1729 -37.1729 -36.8955 -36.8955 -36.8895 -36.8895 -36.8870 -36.8870 -36.8823 -36.8823 -24.9534 -24.9534 -24.9286 -24.9286 -8.7308 -8.7308 -8.6708 -8.6708 -8.4634 -8.4634 -8.4414 -8.4414 -8.3672 -8.3672 -8.3224 -8.3224 -3.8343 -3.8343 -3.4285 -3.4285 2.1378 2.1378 2.6259 2.6259 4.1382 4.1382 4.1912 4.1912 4.4319 4.4319 4.8718 4.8718 7.8287 7.8287 8.1108 8.1108 8.1426 8.1426 9.4224 9.4224 9.4675 9.4675 k = 0.0000 0.2500 0.2947 ( 7680 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1803 -37.1803 -37.1730 -37.1730 -36.8952 -36.8952 -36.8894 -36.8894 -36.8871 -36.8871 -36.8826 -36.8826 -24.9527 -24.9527 -24.9289 -24.9289 -8.7320 -8.7320 -8.6745 -8.6745 -8.4628 -8.4628 -8.4428 -8.4428 -8.3668 -8.3668 -8.3241 -8.3241 -3.8132 -3.8132 -3.4197 -3.4197 2.1300 2.1300 2.5507 2.5507 4.1438 4.1438 4.1589 4.1589 4.4438 4.4438 4.8571 4.8571 7.8356 7.8356 8.0636 8.0636 8.1399 8.1399 9.4789 9.4789 9.5898 9.5898 k = 0.0000 0.2639 0.2947 ( 7690 PWs) bands (ev): -70.2366 -70.2366 -70.2350 -70.2350 -37.1802 -37.1802 -37.1732 -37.1732 -36.8950 -36.8950 -36.8894 -36.8894 -36.8871 -36.8871 -36.8829 -36.8829 -24.9520 -24.9520 -24.9293 -24.9293 -8.7331 -8.7331 -8.6782 -8.6782 -8.4622 -8.4622 -8.4439 -8.4439 -8.3665 -8.3665 -8.3258 -8.3258 -3.7915 -3.7915 -3.4112 -3.4112 2.1203 2.1203 2.4783 2.4783 4.1118 4.1118 4.1701 4.1701 4.4538 4.4538 4.8416 4.8416 7.8248 7.8248 8.0382 8.0382 8.1337 8.1337 9.4164 9.4164 9.6439 9.6439 k = 0.0000 0.2778 0.2947 ( 7686 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1800 -37.1800 -37.1733 -37.1733 -36.8947 -36.8947 -36.8893 -36.8893 -36.8872 -36.8872 -36.8832 -36.8832 -24.9513 -24.9513 -24.9297 -24.9297 -8.7342 -8.7342 -8.6820 -8.6820 -8.4618 -8.4618 -8.4450 -8.4450 -8.3662 -8.3662 -8.3274 -8.3274 -3.7693 -3.7693 -3.4034 -3.4034 2.1084 2.1084 2.4091 2.4091 4.0818 4.0818 4.1858 4.1858 4.4616 4.4616 4.8254 4.8254 7.7947 7.7947 8.0376 8.0376 8.1232 8.1232 9.3529 9.3529 9.6190 9.6190 k = 0.0000 0.2917 0.2947 ( 7692 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1798 -37.1798 -37.1735 -37.1735 -36.8944 -36.8944 -36.8893 -36.8893 -36.8873 -36.8873 -36.8835 -36.8835 -24.9506 -24.9506 -24.9302 -24.9302 -8.7353 -8.7353 -8.6858 -8.6858 -8.4616 -8.4616 -8.4458 -8.4458 -8.3659 -8.3659 -8.3290 -8.3290 -3.7466 -3.7466 -3.3962 -3.3962 2.0945 2.0945 2.3433 2.3433 4.0573 4.0573 4.2022 4.2022 4.4671 4.4671 4.8085 4.8085 7.7532 7.7532 8.0542 8.0542 8.1083 8.1083 9.2926 9.2926 9.5970 9.5970 k = 0.0000 0.3056 0.2947 ( 7700 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1796 -37.1796 -37.1737 -37.1737 -36.8941 -36.8941 -36.8892 -36.8892 -36.8873 -36.8873 -36.8838 -36.8838 -24.9499 -24.9499 -24.9306 -24.9306 -8.7363 -8.7363 -8.6895 -8.6895 -8.4614 -8.4614 -8.4466 -8.4466 -8.3655 -8.3655 -8.3305 -8.3305 -3.7237 -3.7237 -3.3898 -3.3898 2.0787 2.0787 2.2812 2.2812 4.0386 4.0386 4.2194 4.2194 4.4701 4.4701 4.7911 4.7911 7.7087 7.7087 8.0781 8.0781 8.0910 8.0910 9.2362 9.2362 9.5779 9.5779 k = 0.0000 0.3194 0.2947 ( 7698 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1794 -37.1794 -37.1739 -37.1739 -36.8938 -36.8938 -36.8892 -36.8892 -36.8874 -36.8874 -36.8842 -36.8842 -24.9491 -24.9491 -24.9311 -24.9311 -8.7373 -8.7373 -8.6933 -8.6933 -8.4613 -8.4613 -8.4472 -8.4472 -8.3651 -8.3651 -8.3320 -8.3320 -3.7005 -3.7005 -3.3844 -3.3844 2.0613 2.0613 2.2230 2.2230 4.0256 4.0256 4.2371 4.2371 4.4703 4.4703 4.7730 4.7730 7.6657 7.6657 8.0635 8.0635 8.1130 8.1130 9.1835 9.1835 9.5618 9.5618 k = 0.0000 0.3333 0.2947 ( 7694 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1792 -37.1792 -37.1741 -37.1741 -36.8934 -36.8934 -36.8891 -36.8891 -36.8875 -36.8875 -36.8845 -36.8845 -24.9484 -24.9484 -24.9316 -24.9316 -8.7381 -8.7381 -8.6971 -8.6971 -8.4612 -8.4612 -8.4478 -8.4478 -8.3646 -8.3646 -8.3335 -8.3335 -3.6772 -3.6772 -3.3800 -3.3800 2.0425 2.0425 2.1688 2.1688 4.0183 4.0183 4.2553 4.2553 4.4678 4.4678 4.7544 4.7544 7.6264 7.6264 8.0355 8.0355 8.1474 8.1474 9.1344 9.1344 9.5489 9.5489 k = 0.0000 0.3472 0.2947 ( 7690 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1790 -37.1790 -37.1743 -37.1743 -36.8931 -36.8931 -36.8891 -36.8891 -36.8875 -36.8875 -36.8848 -36.8848 -24.9476 -24.9476 -24.9321 -24.9321 -8.7388 -8.7388 -8.7008 -8.7008 -8.4611 -8.4611 -8.4483 -8.4483 -8.3640 -8.3640 -8.3349 -8.3349 -3.6540 -3.6540 -3.3768 -3.3768 2.0227 2.0227 2.1188 2.1188 4.0164 4.0164 4.2740 4.2740 4.4623 4.4623 4.7353 4.7353 7.5920 7.5920 8.0035 8.0035 8.1843 8.1843 9.0883 9.0883 9.5391 9.5391 k = 0.0000 0.3611 0.2947 ( 7698 PWs) bands (ev): -70.2363 -70.2363 -70.2353 -70.2353 -37.1788 -37.1788 -37.1745 -37.1745 -36.8928 -36.8928 -36.8890 -36.8890 -36.8876 -36.8876 -36.8852 -36.8852 -24.9468 -24.9468 -24.9326 -24.9326 -8.7394 -8.7394 -8.7044 -8.7044 -8.4610 -8.4610 -8.4489 -8.4489 -8.3633 -8.3633 -8.3363 -8.3363 -3.6310 -3.6310 -3.3748 -3.3748 2.0022 2.0022 2.0731 2.0731 4.0195 4.0195 4.2932 4.2932 4.4538 4.4538 4.7157 4.7157 7.5630 7.5630 7.9683 7.9683 8.2230 8.2230 9.0447 9.0447 9.5324 9.5324 k = 0.0000 0.3750 0.2947 ( 7698 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1786 -37.1786 -37.1747 -37.1747 -36.8924 -36.8924 -36.8890 -36.8890 -36.8877 -36.8877 -36.8855 -36.8855 -24.9460 -24.9460 -24.9332 -24.9332 -8.7397 -8.7397 -8.7080 -8.7080 -8.4608 -8.4608 -8.4494 -8.4494 -8.3625 -8.3625 -8.3378 -8.3378 -3.6082 -3.6082 -3.3742 -3.3742 1.9817 1.9817 2.0319 2.0319 4.0274 4.0274 4.3128 4.3128 4.4424 4.4424 4.6957 4.6957 7.5400 7.5400 7.9306 7.9306 8.2629 8.2629 9.0031 9.0031 9.5287 9.5287 k = 0.0000 0.3889 0.2947 ( 7694 PWs) bands (ev): -70.2362 -70.2362 -70.2354 -70.2354 -37.1784 -37.1784 -37.1749 -37.1749 -36.8921 -36.8921 -36.8889 -36.8889 -36.8877 -36.8877 -36.8859 -36.8859 -24.9453 -24.9453 -24.9338 -24.9338 -8.7399 -8.7399 -8.7114 -8.7114 -8.4606 -8.4606 -8.4500 -8.4500 -8.3615 -8.3615 -8.3392 -8.3392 -3.5858 -3.5858 -3.3750 -3.3750 1.9614 1.9614 1.9952 1.9952 4.0395 4.0395 4.3327 4.3327 4.4282 4.4282 4.6753 4.6753 7.5230 7.5230 7.8910 7.8910 8.3038 8.3038 8.9628 8.9628 9.5282 9.5282 k = 0.0000 0.4028 0.2947 ( 7708 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1783 -37.1783 -37.1751 -37.1751 -36.8917 -36.8917 -36.8889 -36.8889 -36.8878 -36.8878 -36.8863 -36.8863 -24.9445 -24.9445 -24.9344 -24.9344 -8.7399 -8.7399 -8.7148 -8.7148 -8.4603 -8.4603 -8.4507 -8.4507 -8.3605 -8.3605 -8.3407 -8.3407 -3.5641 -3.5641 -3.3773 -3.3773 1.9419 1.9419 1.9631 1.9631 4.0554 4.0554 4.3527 4.3527 4.4114 4.4114 4.6546 4.6546 7.5121 7.5121 7.8504 7.8504 8.3455 8.3455 8.9233 8.9233 9.5307 9.5307 k = 0.0000 0.4167 0.2947 ( 7712 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1780 -37.1780 -37.1753 -37.1753 -36.8913 -36.8913 -36.8888 -36.8888 -36.8879 -36.8879 -36.8867 -36.8867 -24.9437 -24.9437 -24.9350 -24.9350 -8.7397 -8.7397 -8.7179 -8.7179 -8.4599 -8.4599 -8.4514 -8.4514 -8.3594 -8.3594 -8.3421 -8.3421 -3.5429 -3.5429 -3.3811 -3.3811 1.9237 1.9237 1.9356 1.9356 4.0747 4.0747 4.3712 4.3712 4.3937 4.3937 4.6335 4.6335 7.5073 7.5073 7.8094 7.8094 8.3878 8.3878 8.8842 8.8842 9.5363 9.5363 k = 0.0000 0.4306 0.2947 ( 7708 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1778 -37.1778 -37.1755 -37.1755 -36.8909 -36.8909 -36.8887 -36.8887 -36.8880 -36.8880 -36.8870 -36.8870 -24.9429 -24.9429 -24.9356 -24.9356 -8.7392 -8.7392 -8.7210 -8.7210 -8.4595 -8.4595 -8.4521 -8.4521 -8.3582 -8.3582 -8.3436 -8.3436 -3.5226 -3.5226 -3.3865 -3.3865 1.9071 1.9071 1.9126 1.9126 4.0968 4.0968 4.3659 4.3659 4.3977 4.3977 4.6122 4.6122 7.5083 7.5083 7.7687 7.7687 8.4305 8.4305 8.8452 8.8452 9.5448 9.5448 k = 0.0000 0.4444 0.2947 ( 7704 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1776 -37.1776 -37.1757 -37.1757 -36.8906 -36.8906 -36.8886 -36.8886 -36.8881 -36.8881 -36.8874 -36.8874 -24.9421 -24.9421 -24.9363 -24.9363 -8.7385 -8.7385 -8.7238 -8.7238 -8.4589 -8.4589 -8.4529 -8.4529 -8.3569 -8.3569 -8.3451 -8.3451 -3.5032 -3.5032 -3.3935 -3.3935 1.8926 1.8926 1.8943 1.8943 4.1212 4.1212 4.3429 4.3429 4.4177 4.4177 4.5907 4.5907 7.5150 7.5150 7.7290 7.7290 8.4733 8.4733 8.8058 8.8058 9.5562 9.5562 k = 0.0000 0.4583 0.2947 ( 7696 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1773 -37.1773 -37.1760 -37.1760 -36.8902 -36.8902 -36.8886 -36.8886 -36.8881 -36.8881 -36.8878 -36.8878 -24.9414 -24.9414 -24.9370 -24.9370 -8.7375 -8.7375 -8.7265 -8.7265 -8.4583 -8.4583 -8.4537 -8.4537 -8.3555 -8.3555 -8.3466 -8.3466 -3.4849 -3.4849 -3.4021 -3.4021 1.8800 1.8800 1.8810 1.8810 4.1475 4.1475 4.3172 4.3172 4.4388 4.4388 4.5691 4.5691 7.5272 7.5272 7.6909 7.6909 8.5162 8.5162 8.7661 8.7661 9.5704 9.5704 k = 0.0000 0.4722 0.2947 ( 7686 PWs) bands (ev): -70.2359 -70.2359 -70.2357 -70.2357 -37.1771 -37.1771 -37.1762 -37.1762 -36.8898 -36.8898 -36.8885 -36.8885 -36.8883 -36.8883 -36.8881 -36.8881 -24.9406 -24.9406 -24.9377 -24.9377 -8.7363 -8.7363 -8.7289 -8.7289 -8.4576 -8.4576 -8.4545 -8.4545 -8.3541 -8.3541 -8.3482 -8.3482 -3.4677 -3.4677 -3.4123 -3.4123 1.8705 1.8705 1.8718 1.8718 4.1752 4.1752 4.2899 4.2899 4.4603 4.4603 4.5473 4.5473 7.5443 7.5443 7.6551 7.6551 8.5589 8.5589 8.7257 8.7257 9.5874 9.5874 k = 0.0000 0.4861 0.2947 ( 7682 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1769 -37.1769 -37.1764 -37.1764 -36.8894 -36.8894 -36.8886 -36.8886 -36.8884 -36.8884 -36.8882 -36.8882 -24.9399 -24.9399 -24.9384 -24.9384 -8.7348 -8.7348 -8.7311 -8.7311 -8.4569 -8.4569 -8.4553 -8.4553 -8.3527 -8.3527 -8.3497 -8.3497 -3.4517 -3.4517 -3.4240 -3.4240 1.8651 1.8651 1.8660 1.8660 4.2038 4.2038 4.2616 4.2616 4.4820 4.4820 4.5255 4.5255 7.5661 7.5661 7.6220 7.6220 8.6013 8.6013 8.6848 8.6848 9.6069 9.6069 k = 0.0000 0.5000 0.2947 ( 7664 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7331 -8.7331 -8.7331 -8.7331 -8.4561 -8.4561 -8.4561 -8.4561 -8.3512 -8.3512 -8.3512 -8.3512 -3.4371 -3.4371 -3.4371 -3.4371 1.8637 1.8637 1.8637 1.8637 4.2327 4.2327 4.2327 4.2327 4.5037 4.5037 4.5037 4.5037 7.5922 7.5922 7.5922 7.5922 8.6433 8.6433 8.6433 8.6433 9.6289 9.6289 k = 0.0000 0.5000 0.2947 ( 7664 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7331 -8.7331 -8.7331 -8.7331 -8.4561 -8.4561 -8.4561 -8.4561 -8.3512 -8.3512 -8.3512 -8.3512 -3.4371 -3.4371 -3.4371 -3.4371 1.8637 1.8637 1.8637 1.8637 4.2327 4.2327 4.2327 4.2327 4.5037 4.5037 4.5037 4.5037 7.5922 7.5922 7.5922 7.5922 8.6433 8.6433 8.6433 8.6433 9.6289 9.6289 k = 0.0139 0.5000 0.2947 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8891 -36.8891 -36.8890 -36.8890 -36.8883 -36.8883 -36.8882 -36.8882 -24.9391 -24.9391 -24.9391 -24.9391 -8.7335 -8.7335 -8.7325 -8.7325 -8.4587 -8.4587 -8.4536 -8.4536 -8.3533 -8.3533 -8.3492 -8.3492 -3.4369 -3.4369 -3.4369 -3.4369 1.8643 1.8643 1.8644 1.8644 4.2320 4.2320 4.2324 4.2324 4.4995 4.4995 4.4997 4.4997 7.5945 7.5945 7.5954 7.5954 8.6470 8.6470 8.6477 8.6477 9.6250 9.6252 k = 0.0278 0.5000 0.2947 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8893 -36.8893 -36.8892 -36.8892 -36.8881 -36.8881 -36.8880 -36.8880 -24.9391 -24.9391 -24.9391 -24.9391 -8.7338 -8.7338 -8.7319 -8.7319 -8.4613 -8.4613 -8.4512 -8.4512 -8.3557 -8.3557 -8.3474 -8.3474 -3.4363 -3.4363 -3.4362 -3.4362 1.8664 1.8664 1.8666 1.8666 4.2302 4.2302 4.2312 4.2312 4.4871 4.4871 4.4876 4.4876 7.6022 7.6022 7.6040 7.6040 8.6585 8.6585 8.6599 8.6599 9.6141 9.6143 k = 0.0417 0.5000 0.2947 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8896 -36.8896 -36.8895 -36.8895 -36.8878 -36.8878 -36.8877 -36.8877 -24.9391 -24.9391 -24.9391 -24.9391 -8.7340 -8.7340 -8.7311 -8.7311 -8.4641 -8.4641 -8.4490 -8.4490 -8.3581 -8.3581 -8.3458 -8.3458 -3.4352 -3.4352 -3.4351 -3.4351 1.8699 1.8699 1.8701 1.8701 4.2273 4.2273 4.2289 4.2289 4.4671 4.4671 4.4677 4.4677 7.6151 7.6151 7.6178 7.6178 8.6775 8.6775 8.6795 8.6795 9.5970 9.5970 k = 0.0556 0.5000 0.2947 ( 7700 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8898 -36.8898 -36.8898 -36.8898 -36.8876 -36.8876 -36.8875 -36.8875 -24.9390 -24.9390 -24.9390 -24.9390 -8.7340 -8.7340 -8.7302 -8.7302 -8.4669 -8.4669 -8.4468 -8.4468 -8.3607 -8.3607 -8.3443 -8.3443 -3.4337 -3.4337 -3.4335 -3.4335 1.8748 1.8748 1.8751 1.8751 4.2232 4.2232 4.2255 4.2255 4.4400 4.4400 4.4405 4.4405 7.6326 7.6326 7.6362 7.6362 8.7030 8.7030 8.7058 8.7058 9.5747 9.5747 k = 0.0694 0.5000 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8901 -36.8901 -36.8900 -36.8900 -36.8873 -36.8873 -36.8872 -36.8872 -24.9390 -24.9390 -24.9390 -24.9390 -8.7340 -8.7340 -8.7292 -8.7292 -8.4697 -8.4697 -8.4448 -8.4448 -8.3634 -8.3634 -8.3431 -8.3431 -3.4317 -3.4317 -3.4316 -3.4316 1.8810 1.8810 1.8814 1.8814 4.2177 4.2177 4.2211 4.2211 4.4066 4.4066 4.4067 4.4067 7.6543 7.6543 7.6587 7.6587 8.7340 8.7340 8.7375 8.7375 9.5489 9.5489 k = 0.0833 0.5000 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8904 -36.8904 -36.8903 -36.8903 -36.8871 -36.8871 -36.8870 -36.8870 -24.9389 -24.9389 -24.9389 -24.9389 -8.7338 -8.7338 -8.7281 -8.7281 -8.4726 -8.4726 -8.4430 -8.4430 -8.3662 -8.3662 -8.3420 -8.3420 -3.4293 -3.4293 -3.4292 -3.4292 1.8885 1.8885 1.8890 1.8890 4.2104 4.2104 4.2154 4.2154 4.3673 4.3673 4.3683 4.3683 7.6795 7.6795 7.6847 7.6847 8.7684 8.7684 8.7727 8.7727 9.5217 9.5217 k = 0.0972 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8906 -36.8906 -36.8905 -36.8905 -36.8868 -36.8868 -36.8867 -36.8867 -24.9388 -24.9388 -24.9388 -24.9388 -8.7335 -8.7335 -8.7269 -8.7269 -8.4755 -8.4755 -8.4412 -8.4412 -8.3691 -8.3691 -8.3411 -8.3411 -3.4266 -3.4266 -3.4264 -3.4264 1.8973 1.8973 1.8979 1.8979 4.2005 4.2005 4.2081 4.2081 4.3234 4.3234 4.3265 4.3265 7.7077 7.7077 7.7136 7.7136 8.8037 8.8037 8.8087 8.8087 9.4954 9.4954 k = 0.1111 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8909 -36.8909 -36.8908 -36.8908 -36.8866 -36.8866 -36.8865 -36.8865 -24.9387 -24.9387 -24.9387 -24.9387 -8.7332 -8.7332 -8.7257 -8.7257 -8.4784 -8.4784 -8.4396 -8.4396 -8.3721 -8.3721 -8.3404 -8.3404 -3.4234 -3.4234 -3.4232 -3.4232 1.9072 1.9072 1.9079 1.9079 4.1860 4.1860 4.1984 4.1984 4.2768 4.2768 4.2841 4.2841 7.7383 7.7383 7.7449 7.7449 8.8365 8.8365 8.8421 8.8421 9.4732 9.4732 k = 0.1250 0.5000 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8911 -36.8911 -36.8910 -36.8910 -36.8863 -36.8863 -36.8862 -36.8862 -24.9386 -24.9386 -24.9386 -24.9386 -8.7327 -8.7327 -8.7244 -8.7244 -8.4813 -8.4813 -8.4382 -8.4382 -8.3751 -8.3751 -8.3399 -8.3399 -3.4199 -3.4199 -3.4197 -3.4197 1.9182 1.9182 1.9191 1.9191 4.1626 4.1626 4.1825 4.1825 4.2320 4.2320 4.2463 4.2463 7.7709 7.7709 7.7782 7.7782 8.8626 8.8626 8.8685 8.8685 9.4580 9.4580 k = 0.1389 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8914 -36.8914 -36.8913 -36.8913 -36.8860 -36.8860 -36.8860 -36.8860 -24.9385 -24.9385 -24.9385 -24.9385 -8.7322 -8.7322 -8.7230 -8.7230 -8.4841 -8.4841 -8.4370 -8.4370 -8.3780 -8.3780 -8.3396 -8.3396 -3.4161 -3.4161 -3.4158 -3.4158 1.9303 1.9303 1.9313 1.9313 4.1260 4.1260 4.1488 4.1488 4.2013 4.2013 4.2181 4.2181 7.8052 7.8052 7.8131 7.8131 8.8783 8.8783 8.8841 8.8841 9.4520 9.4520 k = 0.1528 0.5000 0.2947 ( 7708 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8916 -36.8916 -36.8915 -36.8915 -36.8858 -36.8858 -36.8857 -36.8857 -24.9384 -24.9384 -24.9384 -24.9384 -8.7316 -8.7316 -8.7217 -8.7217 -8.4869 -8.4869 -8.4359 -8.4359 -8.3810 -8.3810 -8.3395 -8.3395 -3.4119 -3.4119 -3.4117 -3.4117 1.9432 1.9432 1.9444 1.9444 4.0785 4.0785 4.0988 4.0988 4.1842 4.1842 4.1981 4.1981 7.8407 7.8407 7.8493 7.8493 8.8814 8.8814 8.8865 8.8865 9.4551 9.4551 k = 0.1667 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8918 -36.8918 -36.8917 -36.8917 -36.8856 -36.8856 -36.8855 -36.8855 -24.9383 -24.9383 -24.9383 -24.9383 -8.7310 -8.7310 -8.7203 -8.7203 -8.4895 -8.4895 -8.4351 -8.4351 -8.3838 -8.3838 -8.3395 -8.3395 -3.4075 -3.4075 -3.4072 -3.4072 1.9570 1.9570 1.9584 1.9584 4.0253 4.0253 4.0437 4.0437 4.1701 4.1701 4.1817 4.1817 7.8773 7.8773 7.8864 7.8864 8.8720 8.8720 8.8759 8.8759 9.4639 9.4639 k = 0.1806 0.5000 0.2947 ( 7700 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1767 -37.1767 -36.8921 -36.8921 -36.8920 -36.8920 -36.8853 -36.8853 -36.8852 -36.8852 -24.9382 -24.9382 -24.9382 -24.9382 -8.7303 -8.7303 -8.7190 -8.7190 -8.4920 -8.4920 -8.4345 -8.4345 -8.3865 -8.3865 -8.3398 -8.3398 -3.4028 -3.4028 -3.4025 -3.4025 1.9714 1.9714 1.9730 1.9730 3.9699 3.9699 3.9871 3.9871 4.1560 4.1560 4.1661 4.1661 7.9145 7.9145 7.9244 7.9244 8.8524 8.8524 8.8551 8.8551 9.4734 9.4734 k = 0.1944 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8923 -36.8923 -36.8922 -36.8922 -36.8851 -36.8851 -36.8850 -36.8850 -24.9380 -24.9380 -24.9380 -24.9380 -8.7296 -8.7296 -8.7176 -8.7176 -8.4944 -8.4944 -8.4341 -8.4341 -8.3890 -8.3890 -8.3401 -8.3401 -3.3979 -3.3979 -3.3976 -3.3976 1.9864 1.9864 1.9882 1.9882 3.9139 3.9139 3.9305 3.9305 4.1412 4.1412 4.1504 4.1504 7.9523 7.9523 7.9628 7.9628 8.8258 8.8258 8.8271 8.8271 9.4770 9.4770 k = 0.2083 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8925 -36.8925 -36.8924 -36.8924 -36.8849 -36.8849 -36.8848 -36.8848 -24.9379 -24.9379 -24.9379 -24.9379 -8.7288 -8.7288 -8.7164 -8.7164 -8.4966 -8.4966 -8.4341 -8.4341 -8.3913 -8.3913 -8.3407 -8.3407 -3.3929 -3.3929 -3.3925 -3.3925 2.0017 2.0017 2.0038 2.0038 3.8585 3.8585 3.8748 3.8748 4.1253 4.1253 4.1340 4.1340 7.9901 7.9901 8.0013 8.0013 8.7951 8.7951 8.7952 8.7952 9.4729 9.4729 k = 0.2222 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8927 -36.8927 -36.8926 -36.8926 -36.8846 -36.8846 -36.8846 -36.8846 -24.9378 -24.9378 -24.9378 -24.9378 -8.7281 -8.7281 -8.7152 -8.7152 -8.4986 -8.4986 -8.4344 -8.4344 -8.3933 -8.3933 -8.3414 -8.3414 -3.3876 -3.3876 -3.3873 -3.3873 2.0173 2.0173 2.0196 2.0196 3.8043 3.8043 3.8206 3.8206 4.1082 4.1082 4.1166 4.1166 8.0276 8.0276 8.0395 8.0395 8.7618 8.7618 8.7632 8.7632 9.4603 9.4603 k = 0.2361 0.5000 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8929 -36.8929 -36.8928 -36.8928 -36.8844 -36.8844 -36.8844 -36.8844 -24.9376 -24.9376 -24.9376 -24.9376 -8.7273 -8.7273 -8.7141 -8.7141 -8.5004 -8.5004 -8.4350 -8.4350 -8.3950 -8.3950 -8.3423 -8.3423 -3.3823 -3.3823 -3.3819 -3.3819 2.0329 2.0329 2.0355 2.0355 3.7521 3.7521 3.7684 3.7684 4.0899 4.0899 4.0982 4.0982 8.0640 8.0640 8.0767 8.0767 8.7293 8.7293 8.7320 8.7320 9.4398 9.4398 k = 0.2500 0.5000 0.2947 ( 7700 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8931 -36.8931 -36.8930 -36.8930 -36.8842 -36.8842 -36.8842 -36.8842 -24.9375 -24.9375 -24.9375 -24.9375 -8.7266 -8.7266 -8.7131 -8.7131 -8.5019 -8.5019 -8.4360 -8.4360 -8.3963 -8.3963 -8.3433 -8.3433 -3.3769 -3.3769 -3.3765 -3.3765 2.0484 2.0484 2.0513 2.0513 3.7023 3.7023 3.7188 3.7188 4.0705 4.0705 4.0787 4.0787 8.0986 8.0986 8.1120 8.1120 8.6996 8.6996 8.7036 8.7036 9.4129 9.4129 k = 0.2639 0.5000 0.2947 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8933 -36.8933 -36.8932 -36.8932 -36.8840 -36.8840 -36.8840 -36.8840 -24.9373 -24.9373 -24.9373 -24.9373 -8.7258 -8.7258 -8.7123 -8.7123 -8.5032 -8.5032 -8.4374 -8.4374 -8.3972 -8.3972 -8.3444 -8.3444 -3.3715 -3.3715 -3.3711 -3.3711 2.0636 2.0636 2.0667 2.0667 3.6555 3.6555 3.6722 3.6722 4.0498 4.0498 4.0581 4.0581 8.1303 8.1303 8.1443 8.1443 8.6746 8.6746 8.6797 8.6797 9.3813 9.3813 k = 0.2778 0.5000 0.2947 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8935 -36.8935 -36.8934 -36.8934 -36.8838 -36.8838 -36.8838 -36.8838 -24.9372 -24.9372 -24.9372 -24.9372 -8.7251 -8.7251 -8.7115 -8.7115 -8.5042 -8.5042 -8.4391 -8.4391 -8.3978 -8.3978 -8.3457 -8.3457 -3.3660 -3.3660 -3.3657 -3.3657 2.0783 2.0783 2.0817 2.0817 3.6120 3.6120 3.6289 3.6289 4.0280 4.0280 4.0364 4.0364 8.1578 8.1578 8.1723 8.1723 8.6561 8.6561 8.6621 8.6621 9.3466 9.3466 k = 0.2917 0.5000 0.2947 ( 7676 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1768 -37.1768 -37.1768 -37.1768 -36.8936 -36.8936 -36.8935 -36.8935 -36.8837 -36.8837 -36.8836 -36.8836 -24.9371 -24.9371 -24.9371 -24.9371 -8.7244 -8.7244 -8.7110 -8.7110 -8.5049 -8.5049 -8.4411 -8.4411 -8.3980 -8.3980 -8.3471 -8.3471 -3.3607 -3.3607 -3.3603 -3.3603 2.0923 2.0923 2.0959 2.0959 3.5723 3.5723 3.5894 3.5894 4.0051 4.0051 4.0137 4.0137 8.1796 8.1796 8.1942 8.1942 8.6460 8.6460 8.6526 8.6526 9.3102 9.3102 k = 0.3056 0.5000 0.2947 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8938 -36.8938 -36.8937 -36.8937 -36.8835 -36.8835 -36.8835 -36.8835 -24.9369 -24.9369 -24.9369 -24.9369 -8.7237 -8.7237 -8.7105 -8.7105 -8.5053 -8.5053 -8.4433 -8.4433 -8.3978 -8.3978 -8.3486 -8.3486 -3.3554 -3.3554 -3.3550 -3.3550 2.1055 2.1055 2.1093 2.1093 3.5366 3.5366 3.5538 3.5538 3.9813 3.9813 3.9900 3.9900 8.1946 8.1946 8.2089 8.2089 8.6456 8.6456 8.6522 8.6522 9.2730 9.2730 k = 0.3194 0.5000 0.2947 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8939 -36.8939 -36.8939 -36.8939 -36.8833 -36.8833 -36.8833 -36.8833 -24.9368 -24.9368 -24.9368 -24.9368 -8.7231 -8.7231 -8.7102 -8.7102 -8.5054 -8.5054 -8.4458 -8.4458 -8.3974 -8.3974 -8.3502 -8.3502 -3.3503 -3.3503 -3.3499 -3.3499 2.1176 2.1176 2.1216 2.1216 3.5051 3.5051 3.5224 3.5224 3.9565 3.9565 3.9654 3.9654 8.2027 8.2027 8.2161 8.2161 8.6552 8.6552 8.6614 8.6614 9.2361 9.2361 k = 0.3333 0.5000 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8941 -36.8941 -36.8940 -36.8940 -36.8832 -36.8832 -36.8832 -36.8832 -24.9367 -24.9367 -24.9367 -24.9367 -8.7225 -8.7225 -8.7101 -8.7101 -8.5051 -8.5051 -8.4484 -8.4484 -8.3968 -8.3968 -8.3519 -8.3519 -3.3453 -3.3453 -3.3450 -3.3450 2.1286 2.1286 2.1327 2.1327 3.4781 3.4781 3.4955 3.4955 3.9311 3.9311 3.9401 3.9401 8.2042 8.2042 8.2163 8.2163 8.6738 8.6738 8.6792 8.6792 9.2000 9.2000 k = 0.3472 0.5000 0.2947 ( 7688 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8942 -36.8942 -36.8941 -36.8941 -36.8831 -36.8831 -36.8830 -36.8830 -24.9365 -24.9365 -24.9365 -24.9365 -8.7219 -8.7219 -8.7101 -8.7101 -8.5046 -8.5046 -8.4511 -8.4511 -8.3959 -8.3959 -8.3538 -8.3538 -3.3406 -3.3406 -3.3403 -3.3403 2.1384 2.1384 2.1425 2.1425 3.4556 3.4556 3.4729 3.4729 3.9051 3.9051 3.9143 3.9143 8.2007 8.2007 8.2114 8.2114 8.6997 8.6997 8.7041 8.7041 9.1653 9.1653 k = 0.3611 0.5000 0.2947 ( 7700 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8943 -36.8943 -36.8943 -36.8943 -36.8830 -36.8830 -36.8829 -36.8829 -24.9364 -24.9364 -24.9364 -24.9364 -8.7213 -8.7213 -8.7102 -8.7102 -8.5038 -8.5038 -8.4540 -8.4540 -8.3948 -8.3948 -8.3557 -8.3557 -3.3361 -3.3361 -3.3358 -3.3358 2.1469 2.1469 2.1510 2.1510 3.4377 3.4377 3.4548 3.4548 3.8787 3.8787 3.8881 3.8881 8.1936 8.1936 8.2029 8.2029 8.7306 8.7306 8.7341 8.7341 9.1325 9.1325 k = 0.3750 0.5000 0.2947 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1769 -37.1769 -37.1769 -37.1769 -36.8944 -36.8944 -36.8944 -36.8944 -36.8829 -36.8829 -36.8828 -36.8828 -24.9363 -24.9363 -24.9363 -24.9363 -8.7207 -8.7207 -8.7105 -8.7105 -8.5027 -8.5027 -8.4569 -8.4569 -8.3936 -8.3936 -8.3576 -8.3576 -3.3319 -3.3319 -3.3316 -3.3316 2.1542 2.1542 2.1582 2.1582 3.4242 3.4242 3.4410 3.4410 3.8523 3.8523 3.8618 3.8618 8.1846 8.1846 8.1925 8.1925 8.7644 8.7644 8.7671 8.7671 9.1020 9.1020 k = 0.3889 0.5000 0.2947 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8945 -36.8945 -36.8945 -36.8945 -36.8827 -36.8827 -36.8827 -36.8827 -24.9362 -24.9362 -24.9362 -24.9362 -8.7202 -8.7202 -8.7108 -8.7108 -8.5013 -8.5013 -8.4598 -8.4598 -8.3922 -8.3922 -8.3597 -8.3597 -3.3281 -3.3281 -3.3278 -3.3278 2.1602 2.1602 2.1640 2.1640 3.4149 3.4149 3.4312 3.4312 3.8262 3.8262 3.8357 3.8357 8.1747 8.1747 8.1813 8.1813 8.7993 8.7993 8.8013 8.8013 9.0741 9.0741 k = 0.4028 0.5000 0.2947 ( 7720 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8946 -36.8946 -36.8946 -36.8946 -36.8827 -36.8827 -36.8826 -36.8826 -24.9361 -24.9361 -24.9361 -24.9361 -8.7196 -8.7196 -8.7113 -8.7113 -8.4997 -8.4997 -8.4628 -8.4628 -8.3907 -8.3907 -8.3618 -8.3618 -3.3246 -3.3246 -3.3244 -3.3244 2.1651 2.1651 2.1686 2.1686 3.4096 3.4096 3.4251 3.4251 3.8007 3.8007 3.8101 3.8101 8.1648 8.1648 8.1703 8.1703 8.8336 8.8336 8.8351 8.8351 9.0492 9.0492 k = 0.4167 0.5000 0.2947 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8947 -36.8947 -36.8946 -36.8946 -36.8826 -36.8826 -36.8826 -36.8826 -24.9361 -24.9361 -24.9361 -24.9361 -8.7191 -8.7191 -8.7118 -8.7118 -8.4979 -8.4979 -8.4658 -8.4658 -8.3890 -8.3890 -8.3639 -8.3639 -3.3215 -3.3215 -3.3213 -3.3213 2.1689 2.1689 2.1721 2.1721 3.4077 3.4077 3.4223 3.4223 3.7763 3.7763 3.7855 3.7855 8.1555 8.1555 8.1600 8.1600 8.8659 8.8659 8.8670 8.8670 9.0276 9.0276 k = 0.4306 0.5000 0.2947 ( 7720 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8947 -36.8947 -36.8947 -36.8947 -36.8825 -36.8825 -36.8825 -36.8825 -24.9360 -24.9360 -24.9360 -24.9360 -8.7185 -8.7185 -8.7123 -8.7123 -8.4959 -8.4959 -8.4688 -8.4688 -8.3872 -8.3872 -8.3661 -8.3661 -3.3188 -3.3188 -3.3187 -3.3187 2.1719 2.1719 2.1747 2.1747 3.4087 3.4087 3.4220 3.4220 3.7537 3.7537 3.7623 3.7623 8.1472 8.1472 8.1509 8.1509 8.8946 8.8946 8.8955 8.8955 9.0099 9.0099 k = 0.4444 0.5000 0.2947 ( 7720 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8825 -36.8825 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7179 -8.7179 -8.7129 -8.7129 -8.4937 -8.4937 -8.4718 -8.4718 -8.3854 -8.3854 -8.3683 -8.3683 -3.3166 -3.3166 -3.3165 -3.3165 2.1741 2.1741 2.1764 2.1764 3.4119 3.4119 3.4235 3.4235 3.7335 3.7335 3.7412 3.7412 8.1402 8.1402 8.1431 8.1431 8.9179 8.9179 8.9188 8.9188 8.9971 8.9971 k = 0.4583 0.5000 0.2947 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7173 -8.7173 -8.7136 -8.7136 -8.4913 -8.4913 -8.4748 -8.4748 -8.3834 -8.3834 -8.3705 -8.3705 -3.3149 -3.3149 -3.3148 -3.3148 2.1757 2.1757 2.1775 2.1775 3.4165 3.4165 3.4258 3.4258 3.7166 3.7166 3.7230 3.7230 8.1348 8.1348 8.1368 8.1368 8.9336 8.9336 8.9344 8.9344 8.9905 8.9905 k = 0.4722 0.5000 0.2947 ( 7708 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9359 -24.9359 -8.7167 -8.7167 -8.7142 -8.7142 -8.4888 -8.4888 -8.4777 -8.4777 -8.3814 -8.3814 -8.3728 -8.3728 -3.3136 -3.3136 -3.3135 -3.3135 2.1769 2.1769 2.1781 2.1781 3.4213 3.4213 3.4280 3.4280 3.7039 3.7039 3.7086 3.7086 8.1309 8.1309 8.1322 8.1322 8.9407 8.9407 8.9412 8.9412 8.9908 8.9908 k = 0.4861 0.5000 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7161 -8.7161 -8.7148 -8.7148 -8.4861 -8.4861 -8.4806 -8.4806 -8.3793 -8.3793 -8.3750 -8.3750 -3.3128 -3.3128 -3.3128 -3.3128 2.1777 2.1777 2.1783 2.1783 3.4256 3.4256 3.4290 3.4290 3.6964 3.6964 3.6989 3.6989 8.1286 8.1286 8.1293 8.1293 8.9423 8.9423 8.9424 8.9424 8.9942 8.9942 k = 0.5000 0.5000 0.2947 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3771 -8.3771 -8.3771 -8.3771 -3.3125 -3.3125 -3.3125 -3.3125 2.1781 2.1781 2.1781 2.1781 3.4283 3.4283 3.4283 3.4283 3.6947 3.6947 3.6947 3.6947 8.1281 8.1281 8.1281 8.1281 8.9423 8.9423 8.9423 8.9423 8.9960 8.9960 k = 0.5000 0.5000 0.2947 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3771 -8.3771 -8.3771 -8.3771 -3.3125 -3.3125 -3.3125 -3.3125 2.1781 2.1781 2.1781 2.1781 3.4283 3.4283 3.4283 3.4283 3.6947 3.6947 3.6947 3.6947 8.1281 8.1281 8.1281 8.1281 8.9423 8.9423 8.9423 8.9423 8.9960 8.9960 k = 0.4900 0.4900 0.2947 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8823 -36.8823 -24.9359 -24.9359 -24.9358 -24.9358 -8.7161 -8.7161 -8.7148 -8.7148 -8.4862 -8.4862 -8.4805 -8.4805 -8.3793 -8.3793 -8.3749 -8.3749 -3.3131 -3.3131 -3.3125 -3.3125 2.1766 2.1766 2.1793 2.1793 3.4228 3.4228 3.4318 3.4318 3.6951 3.6951 3.7003 3.7003 8.1286 8.1286 8.1294 8.1294 8.9419 8.9419 8.9430 8.9430 8.9919 8.9919 k = 0.4800 0.4800 0.2947 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9359 -24.9359 -24.9358 -24.9358 -8.7168 -8.7168 -8.7142 -8.7142 -8.4889 -8.4889 -8.4776 -8.4776 -8.3814 -8.3814 -8.3727 -8.3727 -3.3148 -3.3148 -3.3124 -3.3124 2.1724 2.1724 2.1827 2.1827 3.4086 3.4086 3.4410 3.4410 3.6974 3.6974 3.7152 3.7152 8.1306 8.1306 8.1326 8.1326 8.9409 8.9409 8.9450 8.9450 8.9802 8.9802 k = 0.4700 0.4700 0.2947 ( 7716 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8825 -36.8825 -36.8824 -36.8824 -24.9361 -24.9361 -24.9358 -24.9358 -8.7174 -8.7174 -8.7135 -8.7135 -8.4914 -8.4914 -8.4746 -8.4746 -8.3835 -8.3835 -8.3704 -8.3704 -3.3177 -3.3177 -3.3122 -3.3122 2.1657 2.1657 2.1884 2.1884 3.3877 3.3877 3.4560 3.4560 3.7013 3.7013 3.7373 3.7373 8.1338 8.1338 8.1379 8.1379 8.9397 8.9397 8.9481 8.9481 8.9619 8.9619 k = 0.4600 0.4600 0.2947 ( 7712 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1769 -37.1769 -36.8948 -36.8948 -36.8947 -36.8947 -36.8825 -36.8825 -36.8824 -36.8824 -24.9362 -24.9362 -24.9357 -24.9357 -8.7179 -8.7179 -8.7128 -8.7128 -8.4938 -8.4938 -8.4716 -8.4716 -8.3855 -8.3855 -8.3682 -8.3682 -3.3217 -3.3217 -3.3119 -3.3119 2.1568 2.1568 2.1963 2.1963 3.3624 3.3624 3.4763 3.4763 3.7067 3.7067 3.7643 3.7643 8.1376 8.1376 8.1454 8.1454 8.9358 8.9358 8.9394 8.9394 8.9543 8.9543 k = 0.4500 0.4500 0.2947 ( 7722 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1771 -37.1771 -37.1769 -37.1769 -36.8948 -36.8948 -36.8946 -36.8946 -36.8826 -36.8826 -36.8824 -36.8824 -24.9364 -24.9364 -24.9356 -24.9356 -8.7185 -8.7185 -8.7122 -8.7122 -8.4961 -8.4961 -8.4686 -8.4686 -8.3873 -8.3873 -8.3659 -8.3659 -3.3268 -3.3268 -3.3116 -3.3116 2.1462 2.1462 2.2065 2.2065 3.3345 3.3345 3.5013 3.5013 3.7137 3.7137 3.7946 3.7946 8.1414 8.1414 8.1551 8.1551 8.9073 8.9073 8.9400 8.9400 8.9602 8.9602 k = 0.4400 0.4400 0.2947 ( 7720 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1772 -37.1772 -37.1768 -37.1768 -36.8948 -36.8948 -36.8945 -36.8945 -36.8828 -36.8828 -36.8824 -36.8824 -24.9367 -24.9367 -24.9355 -24.9355 -8.7190 -8.7190 -8.7115 -8.7115 -8.4982 -8.4982 -8.4657 -8.4657 -8.3891 -8.3891 -8.3637 -8.3637 -3.3331 -3.3331 -3.3112 -3.3112 2.1345 2.1345 2.2189 2.2189 3.3049 3.3049 3.5303 3.5303 3.7222 3.7222 3.8272 3.8272 8.1444 8.1444 8.1672 8.1672 8.8754 8.8754 8.9434 8.9434 8.9679 8.9679 k = 0.4300 0.4300 0.2947 ( 7716 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1772 -37.1772 -37.1767 -37.1767 -36.8948 -36.8948 -36.8943 -36.8943 -36.8829 -36.8829 -36.8824 -36.8824 -24.9370 -24.9370 -24.9354 -24.9354 -8.7195 -8.7195 -8.7109 -8.7109 -8.5001 -8.5001 -8.4627 -8.4627 -8.3907 -8.3907 -8.3615 -8.3615 -3.3406 -3.3406 -3.3109 -3.3109 2.1223 2.1223 2.2336 2.2336 3.2746 3.2746 3.5624 3.5624 3.7323 3.7323 3.8613 3.8613 8.1459 8.1459 8.1817 8.1817 8.8420 8.8420 8.9506 8.9506 8.9770 8.9770 k = 0.4200 0.4200 0.2947 ( 7724 PWs) bands (ev): -70.2359 -70.2359 -70.2358 -70.2358 -37.1773 -37.1773 -37.1767 -37.1767 -36.8948 -36.8948 -36.8942 -36.8942 -36.8831 -36.8831 -36.8824 -36.8824 -24.9373 -24.9373 -24.9352 -24.9352 -8.7199 -8.7199 -8.7103 -8.7103 -8.5018 -8.5018 -8.4599 -8.4599 -8.3921 -8.3921 -8.3594 -8.3594 -3.3492 -3.3492 -3.3106 -3.3106 2.1100 2.1100 2.2506 2.2506 3.2441 3.2441 3.5970 3.5970 3.7439 3.7439 3.8966 3.8966 8.1452 8.1452 8.1987 8.1987 8.8086 8.8086 8.9627 8.9627 8.9874 8.9874 k = 0.4100 0.4100 0.2947 ( 7708 PWs) bands (ev): -70.2359 -70.2359 -70.2357 -70.2357 -37.1773 -37.1773 -37.1766 -37.1766 -36.8948 -36.8948 -36.8940 -36.8940 -36.8832 -36.8832 -36.8824 -36.8824 -24.9377 -24.9377 -24.9350 -24.9350 -8.7203 -8.7203 -8.7096 -8.7096 -8.5032 -8.5032 -8.4571 -8.4571 -8.3933 -8.3933 -8.3573 -8.3573 -3.3590 -3.3590 -3.3104 -3.3104 2.0981 2.0981 2.2697 2.2697 3.2138 3.2138 3.6333 3.6333 3.7571 3.7571 3.9328 3.9328 8.1417 8.1417 8.2184 8.2184 8.7764 8.7764 8.9807 8.9807 8.9993 8.9993 k = 0.4000 0.4000 0.2947 ( 7698 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1774 -37.1774 -37.1764 -37.1764 -36.8948 -36.8948 -36.8938 -36.8938 -36.8834 -36.8834 -36.8825 -36.8825 -24.9381 -24.9381 -24.9349 -24.9349 -8.7207 -8.7207 -8.7089 -8.7089 -8.5045 -8.5045 -8.4545 -8.4545 -8.3943 -8.3943 -8.3552 -8.3552 -3.3699 -3.3699 -3.3103 -3.3103 2.0870 2.0870 2.2911 2.2911 3.1840 3.1840 3.6706 3.6706 3.7718 3.7718 3.9695 3.9695 8.1351 8.1351 8.2409 8.2409 8.7465 8.7465 9.0050 9.0050 9.0126 9.0126 k = 0.3900 0.3900 0.2947 ( 7702 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1775 -37.1775 -37.1763 -37.1763 -36.8948 -36.8948 -36.8936 -36.8936 -36.8836 -36.8836 -36.8825 -36.8825 -24.9385 -24.9385 -24.9347 -24.9347 -8.7211 -8.7211 -8.7082 -8.7082 -8.5055 -8.5055 -8.4521 -8.4521 -8.3951 -8.3951 -8.3533 -8.3533 -3.3819 -3.3819 -3.3104 -3.3104 2.0771 2.0771 2.3146 2.3146 3.1550 3.1550 3.7083 3.7083 3.7880 3.7880 4.0067 4.0067 8.1253 8.1253 8.2663 8.2663 8.7200 8.7200 9.0265 9.0265 9.0369 9.0369 k = 0.3800 0.3800 0.2947 ( 7694 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1776 -37.1776 -37.1762 -37.1762 -36.8948 -36.8948 -36.8933 -36.8933 -36.8839 -36.8839 -36.8825 -36.8825 -24.9390 -24.9390 -24.9345 -24.9345 -8.7214 -8.7214 -8.7075 -8.7075 -8.5062 -8.5062 -8.4499 -8.4499 -8.3956 -8.3956 -8.3514 -8.3514 -3.3951 -3.3951 -3.3107 -3.3107 2.0687 2.0687 2.3403 2.3403 3.1271 3.1271 3.7458 3.7458 3.8058 3.8058 4.0443 4.0443 8.1126 8.1126 8.2948 8.2948 8.6975 8.6975 9.0424 9.0424 9.0744 9.0744 k = 0.3700 0.3700 0.2947 ( 7698 PWs) bands (ev): -70.2360 -70.2360 -70.2357 -70.2357 -37.1777 -37.1777 -37.1761 -37.1761 -36.8948 -36.8948 -36.8931 -36.8931 -36.8841 -36.8841 -36.8825 -36.8825 -24.9395 -24.9395 -24.9342 -24.9342 -8.7218 -8.7218 -8.7067 -8.7067 -8.5067 -8.5067 -8.4479 -8.4479 -8.3958 -8.3958 -8.3495 -8.3495 -3.4094 -3.4094 -3.3113 -3.3113 2.0619 2.0619 2.3682 2.3682 3.1004 3.1004 3.7827 3.7827 3.8251 3.8251 4.0820 4.0820 8.0976 8.0976 8.3263 8.3263 8.6799 8.6799 9.0593 9.0593 9.0982 9.0982 k = 0.3600 0.3600 0.2947 ( 7694 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1778 -37.1778 -37.1759 -37.1759 -36.8948 -36.8948 -36.8928 -36.8928 -36.8844 -36.8844 -36.8825 -36.8825 -24.9401 -24.9401 -24.9340 -24.9340 -8.7221 -8.7221 -8.7059 -8.7059 -8.5069 -8.5069 -8.4461 -8.4461 -8.3957 -8.3957 -8.3478 -8.3478 -3.4248 -3.4248 -3.3122 -3.3122 2.0568 2.0568 2.3981 2.3981 3.0753 3.0753 3.8183 3.8183 3.8461 3.8461 4.1198 4.1198 8.0807 8.0807 8.3607 8.3607 8.6681 8.6681 9.0773 9.0773 9.1150 9.1150 k = 0.3500 0.3500 0.2947 ( 7702 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1780 -37.1780 -37.1758 -37.1758 -36.8948 -36.8948 -36.8925 -36.8925 -36.8847 -36.8847 -36.8825 -36.8825 -24.9407 -24.9407 -24.9337 -24.9337 -8.7224 -8.7224 -8.7049 -8.7049 -8.5069 -8.5069 -8.4446 -8.4446 -8.3952 -8.3952 -8.3461 -8.3461 -3.4412 -3.4412 -3.3134 -3.3134 2.0536 2.0537 2.4302 2.4302 3.0518 3.0518 3.8523 3.8523 3.8689 3.8689 4.1575 4.1575 8.0628 8.0628 8.3976 8.3976 8.6628 8.6628 9.0963 9.0963 9.1328 9.1328 k = 0.3400 0.3400 0.2947 ( 7692 PWs) bands (ev): -70.2361 -70.2361 -70.2356 -70.2356 -37.1781 -37.1781 -37.1756 -37.1756 -36.8948 -36.8948 -36.8922 -36.8922 -36.8850 -36.8850 -36.8825 -36.8825 -24.9413 -24.9413 -24.9335 -24.9335 -8.7228 -8.7228 -8.7039 -8.7039 -8.5065 -8.5065 -8.4434 -8.4434 -8.3945 -8.3945 -8.3445 -8.3445 -3.4586 -3.4586 -3.3150 -3.3150 2.0524 2.0524 2.4644 2.4644 3.0303 3.0303 3.8838 3.8838 3.8943 3.8943 4.1949 4.1949 8.0445 8.0445 8.4358 8.4358 8.6656 8.6656 9.1161 9.1161 9.1519 9.1519 k = 0.3300 0.3300 0.2947 ( 7694 PWs) bands (ev): -70.2361 -70.2361 -70.2355 -70.2355 -37.1782 -37.1782 -37.1755 -37.1755 -36.8948 -36.8948 -36.8919 -36.8919 -36.8852 -36.8852 -36.8825 -36.8825 -24.9419 -24.9419 -24.9332 -24.9332 -8.7231 -8.7231 -8.7027 -8.7027 -8.5060 -8.5060 -8.4424 -8.4424 -8.3934 -8.3934 -8.3431 -8.3431 -3.4770 -3.4770 -3.3171 -3.3171 2.0529 2.0529 2.5006 2.5006 3.0109 3.0109 3.9122 3.9122 3.9225 3.9225 4.2319 4.2319 8.0266 8.0266 8.4735 8.4735 8.6784 8.6784 9.1366 9.1366 9.1720 9.1720 k = 0.3200 0.3200 0.2947 ( 7692 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1783 -37.1783 -37.1753 -37.1753 -36.8948 -36.8948 -36.8916 -36.8916 -36.8855 -36.8855 -36.8825 -36.8825 -24.9426 -24.9426 -24.9329 -24.9329 -8.7235 -8.7235 -8.7014 -8.7014 -8.5051 -8.5051 -8.4417 -8.4417 -8.3920 -8.3920 -8.3417 -8.3417 -3.4962 -3.4962 -3.3197 -3.3197 2.0552 2.0552 2.5388 2.5388 2.9937 2.9937 3.9396 3.9396 3.9517 3.9517 4.2682 4.2682 8.0097 8.0097 8.5083 8.5083 8.7038 8.7038 9.1575 9.1575 9.1932 9.1932 k = 0.3100 0.3100 0.2947 ( 7684 PWs) bands (ev): -70.2362 -70.2362 -70.2355 -70.2355 -37.1784 -37.1784 -37.1751 -37.1751 -36.8948 -36.8948 -36.8913 -36.8913 -36.8858 -36.8858 -36.8825 -36.8825 -24.9432 -24.9432 -24.9326 -24.9326 -8.7239 -8.7239 -8.6999 -8.6999 -8.5041 -8.5041 -8.4412 -8.4412 -8.3905 -8.3905 -8.3404 -8.3404 -3.5162 -3.5162 -3.3228 -3.3228 2.0591 2.0591 2.5790 2.5790 2.9790 2.9790 3.9674 3.9674 3.9804 3.9804 4.3038 4.3038 7.9945 7.9945 8.5382 8.5382 8.7435 8.7435 9.1784 9.1784 9.2154 9.2154 k = 0.3000 0.3000 0.2947 ( 7680 PWs) bands (ev): -70.2362 -70.2362 -70.2354 -70.2354 -37.1786 -37.1786 -37.1750 -37.1750 -36.8948 -36.8948 -36.8910 -36.8910 -36.8861 -36.8861 -36.8825 -36.8825 -24.9439 -24.9439 -24.9323 -24.9323 -8.7243 -8.7243 -8.6983 -8.6983 -8.5027 -8.5027 -8.4409 -8.4409 -8.3887 -8.3887 -8.3391 -8.3391 -3.5370 -3.5370 -3.3265 -3.3265 2.0644 2.0644 2.6211 2.6211 2.9669 2.9669 3.9956 3.9956 4.0088 4.0088 4.3382 4.3382 7.9815 7.9815 8.5634 8.5634 8.7972 8.7972 9.1989 9.1989 9.2383 9.2383 k = 0.2900 0.2900 0.2947 ( 7688 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1787 -37.1787 -37.1748 -37.1748 -36.8948 -36.8948 -36.8907 -36.8907 -36.8864 -36.8864 -36.8825 -36.8825 -24.9446 -24.9446 -24.9320 -24.9320 -8.7247 -8.7247 -8.6966 -8.6966 -8.5012 -8.5012 -8.4408 -8.4408 -8.3868 -8.3868 -8.3380 -8.3380 -3.5584 -3.5584 -3.3307 -3.3307 2.0709 2.0709 2.6650 2.6650 2.9575 2.9575 4.0238 4.0238 4.0375 4.0375 4.3714 4.3714 7.9711 7.9711 8.5856 8.5856 8.8627 8.8627 9.2185 9.2185 9.2617 9.2617 k = 0.2800 0.2800 0.2947 ( 7676 PWs) bands (ev): -70.2363 -70.2363 -70.2354 -70.2354 -37.1789 -37.1789 -37.1746 -37.1746 -36.8949 -36.8949 -36.8904 -36.8904 -36.8867 -36.8867 -36.8825 -36.8825 -24.9454 -24.9454 -24.9317 -24.9317 -8.7251 -8.7251 -8.6947 -8.6947 -8.4995 -8.4995 -8.4407 -8.4407 -8.3847 -8.3847 -8.3369 -8.3369 -3.5803 -3.5803 -3.3356 -3.3356 2.0785 2.0785 2.7107 2.7107 2.9510 2.9510 4.0511 4.0511 4.0677 4.0677 4.4030 4.4030 7.9639 7.9639 8.6063 8.6063 8.9378 8.9378 9.2361 9.2361 9.2853 9.2853 k = 0.2700 0.2700 0.2947 ( 7680 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1790 -37.1790 -37.1745 -37.1745 -36.8949 -36.8949 -36.8900 -36.8900 -36.8870 -36.8870 -36.8825 -36.8825 -24.9461 -24.9461 -24.9314 -24.9314 -8.7255 -8.7255 -8.6927 -8.6927 -8.4975 -8.4975 -8.4408 -8.4408 -8.3826 -8.3826 -8.3359 -8.3359 -3.6027 -3.6027 -3.3410 -3.3410 2.0867 2.0867 2.7582 2.7582 2.9476 2.9476 4.0774 4.0774 4.0999 4.0999 4.4328 4.4328 7.9603 7.9603 8.6266 8.6266 9.0209 9.0209 9.2508 9.2508 9.3084 9.3084 k = 0.2600 0.2600 0.2947 ( 7686 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1792 -37.1792 -37.1743 -37.1743 -36.8950 -36.8950 -36.8897 -36.8897 -36.8873 -36.8873 -36.8825 -36.8825 -24.9468 -24.9468 -24.9311 -24.9311 -8.7258 -8.7258 -8.6905 -8.6905 -8.4955 -8.4955 -8.4409 -8.4409 -8.3805 -8.3805 -8.3349 -8.3349 -3.6255 -3.6255 -3.3470 -3.3470 2.0954 2.0954 2.8073 2.8073 2.9472 2.9472 4.1033 4.1033 4.1338 4.1338 4.4604 4.4604 7.9607 7.9607 8.6467 8.6467 9.1106 9.1106 9.2611 9.2611 9.3300 9.3300 k = 0.2500 0.2500 0.2947 ( 7684 PWs) bands (ev): -70.2364 -70.2364 -70.2353 -70.2353 -37.1793 -37.1793 -37.1741 -37.1741 -36.8950 -36.8950 -36.8894 -36.8894 -36.8875 -36.8875 -36.8825 -36.8825 -24.9476 -24.9476 -24.9307 -24.9307 -8.7261 -8.7261 -8.6882 -8.6882 -8.4933 -8.4933 -8.4411 -8.4411 -8.3784 -8.3784 -8.3340 -8.3340 -3.6486 -3.6486 -3.3536 -3.3536 2.1043 2.1043 2.8580 2.8580 2.9500 2.9500 4.1293 4.1293 4.1693 4.1693 4.4856 4.4856 7.9652 7.9652 8.6665 8.6665 9.2057 9.2057 9.2651 9.2651 9.3484 9.3484 k = 0.2400 0.2400 0.2947 ( 7684 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1795 -37.1795 -37.1740 -37.1740 -36.8951 -36.8951 -36.8892 -36.8892 -36.8878 -36.8878 -36.8824 -36.8824 -24.9483 -24.9483 -24.9304 -24.9304 -8.7264 -8.7264 -8.6858 -8.6858 -8.4910 -8.4910 -8.4412 -8.4412 -8.3764 -8.3764 -8.3330 -8.3330 -3.6718 -3.6718 -3.3608 -3.3608 2.1131 2.1131 2.9100 2.9100 2.9562 2.9562 4.1561 4.1561 4.2060 4.2060 4.5081 4.5081 7.9742 7.9742 8.6857 8.6857 9.2605 9.2605 9.3053 9.3053 9.3605 9.3605 k = 0.2300 0.2300 0.2947 ( 7698 PWs) bands (ev): -70.2365 -70.2365 -70.2352 -70.2352 -37.1797 -37.1797 -37.1738 -37.1738 -36.8952 -36.8952 -36.8889 -36.8889 -36.8880 -36.8880 -36.8824 -36.8824 -24.9490 -24.9490 -24.9301 -24.9301 -8.7266 -8.7266 -8.6833 -8.6833 -8.4886 -8.4886 -8.4414 -8.4414 -8.3745 -8.3745 -8.3320 -8.3320 -3.6951 -3.6951 -3.3685 -3.3685 2.1216 2.1216 2.9600 2.9600 2.9692 2.9692 4.1841 4.1841 4.2438 4.2438 4.5277 4.5277 7.9878 7.9878 8.7036 8.7036 9.2451 9.2451 9.3609 9.3609 9.4078 9.4078 k = 0.2200 0.2200 0.2947 ( 7702 PWs) bands (ev): -70.2365 -70.2365 -70.2351 -70.2351 -37.1798 -37.1798 -37.1736 -37.1736 -36.8953 -36.8953 -36.8886 -36.8886 -36.8883 -36.8883 -36.8823 -36.8823 -24.9498 -24.9498 -24.9298 -24.9298 -8.7267 -8.7267 -8.6807 -8.6807 -8.4862 -8.4862 -8.4415 -8.4415 -8.3728 -8.3728 -8.3310 -8.3310 -3.7182 -3.7182 -3.3767 -3.3767 2.1295 2.1295 2.9772 2.9772 3.0195 3.0195 4.2135 4.2135 4.2828 4.2828 4.5440 4.5440 8.0059 8.0059 8.7196 8.7196 9.2169 9.2169 9.2940 9.2940 9.3426 9.3426 k = 0.2100 0.2100 0.2947 ( 7686 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1799 -37.1799 -37.1735 -37.1735 -36.8954 -36.8954 -36.8884 -36.8884 -36.8884 -36.8884 -36.8822 -36.8822 -24.9505 -24.9505 -24.9295 -24.9295 -8.7268 -8.7268 -8.6781 -8.6781 -8.4838 -8.4838 -8.4415 -8.4415 -8.3712 -8.3712 -8.3298 -8.3298 -3.7413 -3.7413 -3.3854 -3.3854 2.1367 2.1367 2.9934 2.9934 3.0754 3.0754 4.2448 4.2448 4.3226 4.3226 4.5569 4.5569 8.0285 8.0285 8.7327 8.7327 9.1703 9.1703 9.1768 9.1768 9.2937 9.2937 k = 0.2000 0.2000 0.2947 ( 7692 PWs) bands (ev): -70.2366 -70.2366 -70.2351 -70.2351 -37.1801 -37.1801 -37.1733 -37.1733 -36.8955 -36.8955 -36.8886 -36.8886 -36.8881 -36.8881 -36.8821 -36.8821 -24.9512 -24.9512 -24.9292 -24.9292 -8.7268 -8.7268 -8.6753 -8.6753 -8.4815 -8.4815 -8.4414 -8.4414 -8.3699 -8.3699 -8.3286 -8.3286 -3.7640 -3.7640 -3.3945 -3.3945 2.1429 2.1429 3.0128 3.0128 3.1323 3.1323 4.2782 4.2782 4.3633 4.3633 4.5660 4.5660 8.0551 8.0551 8.7420 8.7420 9.0544 9.0544 9.1203 9.1203 9.2137 9.2137 k = 0.1900 0.1900 0.2947 ( 7708 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1802 -37.1802 -37.1732 -37.1732 -36.8957 -36.8957 -36.8888 -36.8888 -36.8879 -36.8879 -36.8820 -36.8820 -24.9519 -24.9519 -24.9289 -24.9289 -8.7267 -8.7267 -8.6725 -8.6725 -8.4794 -8.4794 -8.4412 -8.4412 -8.3688 -8.3688 -8.3272 -8.3272 -3.7864 -3.7864 -3.4039 -3.4039 2.1481 2.1481 3.0354 3.0354 3.1902 3.1902 4.3137 4.3137 4.4047 4.4047 4.5713 4.5713 8.0849 8.0849 8.7462 8.7462 8.9433 8.9433 9.0540 9.0540 9.1103 9.1103 k = 0.1800 0.1800 0.2947 ( 7706 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1804 -37.1804 -37.1730 -37.1730 -36.8958 -36.8958 -36.8890 -36.8890 -36.8877 -36.8877 -36.8819 -36.8819 -24.9526 -24.9526 -24.9286 -24.9286 -8.7265 -8.7265 -8.6697 -8.6697 -8.4774 -8.4774 -8.4408 -8.4408 -8.3681 -8.3681 -8.3256 -8.3256 -3.8083 -3.8083 -3.4136 -3.4136 2.1521 2.1521 3.0613 3.0613 3.2487 3.2487 4.3515 4.3515 4.4466 4.4466 4.5726 4.5726 8.1165 8.1165 8.7445 8.7445 8.8402 8.8402 8.9789 8.9789 8.9936 8.9936 k = 0.1700 0.1700 0.2947 ( 7690 PWs) bands (ev): -70.2367 -70.2367 -70.2350 -70.2350 -37.1805 -37.1805 -37.1728 -37.1728 -36.8959 -36.8959 -36.8891 -36.8891 -36.8875 -36.8875 -36.8818 -36.8818 -24.9532 -24.9532 -24.9283 -24.9283 -8.7263 -8.7263 -8.6668 -8.6668 -8.4756 -8.4756 -8.4402 -8.4402 -8.3676 -8.3676 -8.3239 -8.3239 -3.8296 -3.8296 -3.4234 -3.4234 2.1551 2.1551 3.0904 3.0904 3.3077 3.3077 4.3914 4.3914 4.4888 4.4888 4.5700 4.5700 8.1469 8.1469 8.7352 8.7352 8.7490 8.7490 8.8711 8.8711 8.8976 8.8976 k = 0.1600 0.1600 0.2947 ( 7702 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1807 -37.1807 -37.1727 -37.1727 -36.8961 -36.8961 -36.8892 -36.8892 -36.8874 -36.8874 -36.8817 -36.8817 -24.9539 -24.9539 -24.9281 -24.9281 -8.7261 -8.7261 -8.6640 -8.6640 -8.4741 -8.4741 -8.4394 -8.4394 -8.3674 -8.3674 -8.3221 -8.3221 -3.8503 -3.8503 -3.4334 -3.4334 2.1569 2.1569 3.1226 3.1226 3.3669 3.3669 4.4332 4.4332 4.5304 4.5304 4.5640 4.5640 8.1710 8.1710 8.6728 8.6728 8.7194 8.7194 8.7476 8.7476 8.8125 8.8125 k = 0.1500 0.1500 0.2947 ( 7706 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1808 -37.1808 -37.1726 -37.1726 -36.8963 -36.8963 -36.8893 -36.8893 -36.8873 -36.8873 -36.8815 -36.8815 -24.9545 -24.9545 -24.9278 -24.9278 -8.7257 -8.7257 -8.6611 -8.6611 -8.4729 -8.4729 -8.4383 -8.4383 -8.3674 -8.3674 -8.3201 -8.3201 -3.8701 -3.8701 -3.4434 -3.4434 2.1577 2.1577 3.1578 3.1578 3.4260 3.4260 4.4767 4.4767 4.5487 4.5487 4.5771 4.5771 8.1804 8.1804 8.6222 8.6222 8.6231 8.6231 8.6972 8.6972 8.7257 8.7257 k = 0.1400 0.1400 0.2947 ( 7706 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1809 -37.1809 -37.1724 -37.1724 -36.8964 -36.8964 -36.8894 -36.8894 -36.8871 -36.8871 -36.8814 -36.8814 -24.9550 -24.9550 -24.9275 -24.9275 -8.7253 -8.7253 -8.6582 -8.6582 -8.4721 -8.4721 -8.4370 -8.4370 -8.3677 -8.3677 -8.3181 -8.3181 -3.8891 -3.8891 -3.4533 -3.4533 2.1574 2.1574 3.1959 3.1959 3.4847 3.4847 4.5195 4.5195 4.5369 4.5369 4.6182 4.6182 8.1669 8.1669 8.5021 8.5021 8.6054 8.6054 8.6385 8.6385 8.6666 8.6666 k = 0.1300 0.1300 0.2947 ( 7706 PWs) bands (ev): -70.2368 -70.2368 -70.2349 -70.2349 -37.1810 -37.1810 -37.1723 -37.1723 -36.8966 -36.8966 -36.8895 -36.8895 -36.8870 -36.8870 -36.8812 -36.8812 -24.9556 -24.9556 -24.9273 -24.9273 -8.7249 -8.7249 -8.6554 -8.6554 -8.4716 -8.4716 -8.4354 -8.4354 -8.3682 -8.3682 -8.3160 -8.3160 -3.9072 -3.9072 -3.4630 -3.4630 2.1564 2.1564 3.2368 3.2368 3.5428 3.5428 4.5134 4.5134 4.5697 4.5697 4.6600 4.6600 8.1301 8.1301 8.3850 8.3850 8.5522 8.5522 8.6219 8.6219 8.6300 8.6300 k = 0.1200 0.1200 0.2947 ( 7714 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1812 -37.1812 -37.1722 -37.1722 -36.8968 -36.8968 -36.8896 -36.8896 -36.8870 -36.8870 -36.8811 -36.8811 -24.9561 -24.9561 -24.9271 -24.9271 -8.7245 -8.7245 -8.6526 -8.6526 -8.4713 -8.4713 -8.4337 -8.4337 -8.3689 -8.3689 -8.3138 -8.3138 -3.9243 -3.9243 -3.4725 -3.4725 2.1546 2.1546 3.2803 3.2803 3.5997 3.5997 4.4898 4.4898 4.6161 4.6161 4.7014 4.7014 8.0782 8.0782 8.2724 8.2724 8.4685 8.4685 8.5871 8.5871 8.6644 8.6644 k = 0.1100 0.1100 0.2947 ( 7716 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1813 -37.1813 -37.1721 -37.1721 -36.8969 -36.8969 -36.8897 -36.8897 -36.8869 -36.8869 -36.8809 -36.8809 -24.9566 -24.9566 -24.9269 -24.9269 -8.7241 -8.7241 -8.6499 -8.6499 -8.4713 -8.4713 -8.4318 -8.4318 -8.3698 -8.3698 -8.3117 -8.3117 -3.9402 -3.9402 -3.4816 -3.4816 2.1522 2.1522 3.3262 3.3262 3.6551 3.6551 4.4619 4.4619 4.6629 4.6629 4.7418 4.7418 8.0199 8.0199 8.1652 8.1652 8.3877 8.3877 8.5411 8.5411 8.7225 8.7225 k = 0.1000 0.1000 0.2947 ( 7718 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1814 -37.1814 -37.1720 -37.1720 -36.8971 -36.8971 -36.8897 -36.8897 -36.8868 -36.8868 -36.8808 -36.8808 -24.9571 -24.9571 -24.9267 -24.9267 -8.7236 -8.7236 -8.6473 -8.6473 -8.4715 -8.4715 -8.4299 -8.4299 -8.3707 -8.3707 -8.3096 -8.3096 -3.9550 -3.9550 -3.4903 -3.4903 2.1494 2.1494 3.3744 3.3744 3.7085 3.7085 4.4300 4.4300 4.7091 4.7091 4.7810 4.7810 7.9606 7.9606 8.0640 8.0640 8.3109 8.3109 8.4927 8.4927 8.7909 8.7909 k = 0.0900 0.0900 0.2947 ( 7710 PWs) bands (ev): -70.2369 -70.2369 -70.2348 -70.2348 -37.1815 -37.1815 -37.1719 -37.1719 -36.8972 -36.8972 -36.8897 -36.8897 -36.8868 -36.8868 -36.8806 -36.8806 -24.9575 -24.9575 -24.9265 -24.9265 -8.7232 -8.7232 -8.6449 -8.6449 -8.4719 -8.4719 -8.4279 -8.4279 -8.3718 -8.3718 -8.3076 -8.3076 -3.9686 -3.9686 -3.4985 -3.4985 2.1463 2.1463 3.4246 3.4246 3.7594 3.7594 4.3945 4.3945 4.7540 4.7540 4.8185 4.8185 7.9036 7.9036 7.9695 7.9695 8.2388 8.2388 8.4435 8.4435 8.8659 8.8659 k = 0.0800 0.0800 0.2947 ( 7712 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1815 -37.1815 -37.1718 -37.1718 -36.8973 -36.8973 -36.8898 -36.8898 -36.8867 -36.8867 -36.8805 -36.8805 -24.9579 -24.9579 -24.9264 -24.9264 -8.7227 -8.7227 -8.6426 -8.6426 -8.4724 -8.4724 -8.4260 -8.4260 -8.3729 -8.3729 -8.3057 -8.3057 -3.9809 -3.9809 -3.5060 -3.5060 2.1431 2.1431 3.4765 3.4765 3.8073 3.8073 4.3555 4.3555 4.7967 4.7967 4.8541 4.8541 7.8505 7.8505 7.8824 7.8824 8.1720 8.1720 8.3949 8.3949 8.9448 8.9448 k = 0.0700 0.0700 0.2947 ( 7708 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1816 -37.1816 -37.1718 -37.1718 -36.8974 -36.8974 -36.8898 -36.8898 -36.8867 -36.8867 -36.8804 -36.8804 -24.9582 -24.9582 -24.9262 -24.9262 -8.7223 -8.7223 -8.6404 -8.6404 -8.4729 -8.4729 -8.4241 -8.4241 -8.3740 -8.3740 -8.3040 -8.3040 -3.9919 -3.9919 -3.5129 -3.5129 2.1399 2.1399 3.5300 3.5300 3.8515 3.8515 4.3134 4.3134 4.8365 4.8365 4.8874 4.8874 7.8021 7.8021 7.8037 7.8037 8.1112 8.1112 8.3483 8.3483 9.0255 9.0255 k = 0.0600 0.0600 0.2947 ( 7722 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1817 -37.1817 -37.1717 -37.1717 -36.8976 -36.8976 -36.8898 -36.8898 -36.8867 -36.8867 -36.8803 -36.8803 -24.9585 -24.9585 -24.9261 -24.9261 -8.7220 -8.7220 -8.6385 -8.6385 -8.4735 -8.4735 -8.4223 -8.4223 -8.3750 -8.3750 -8.3024 -8.3024 -4.0015 -4.0015 -3.5190 -3.5190 2.1368 2.1368 3.5846 3.5846 3.8915 3.8915 4.2686 4.2686 4.8726 4.8726 4.9179 4.9179 7.7332 7.7332 7.7600 7.7600 8.0570 8.0570 8.3050 8.3050 9.1059 9.1059 k = 0.0500 0.0500 0.2947 ( 7730 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1717 -37.1717 -36.8977 -36.8977 -36.8899 -36.8899 -36.8866 -36.8866 -36.8802 -36.8802 -24.9587 -24.9587 -24.9260 -24.9260 -8.7216 -8.7216 -8.6368 -8.6368 -8.4740 -8.4740 -8.4207 -8.4207 -8.3760 -8.3760 -8.3010 -8.3010 -4.0097 -4.0097 -3.5243 -3.5243 2.1340 2.1340 3.6399 3.6399 3.9266 3.9266 4.2214 4.2214 4.9041 4.9041 4.9453 4.9453 7.6723 7.6723 7.7236 7.7236 8.0100 8.0100 8.2662 8.2662 9.1838 9.1838 k = 0.0400 0.0400 0.2947 ( 7734 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8977 -36.8977 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9589 -24.9589 -24.9259 -24.9259 -8.7214 -8.7214 -8.6354 -8.6354 -8.4745 -8.4745 -8.4193 -8.4193 -8.3769 -8.3769 -8.2999 -8.2999 -4.0164 -4.0164 -3.5287 -3.5287 2.1316 2.1316 3.6954 3.6954 3.9563 3.9563 4.1726 4.1726 4.9305 4.9305 4.9691 4.9691 7.6215 7.6215 7.6936 7.6936 7.9707 7.9707 8.2329 8.2329 9.2561 9.2561 k = 0.0300 0.0300 0.2947 ( 7738 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1818 -37.1818 -37.1716 -37.1716 -36.8978 -36.8978 -36.8899 -36.8899 -36.8866 -36.8866 -36.8801 -36.8801 -24.9591 -24.9591 -24.9258 -24.9258 -8.7212 -8.7212 -8.6342 -8.6342 -8.4750 -8.4750 -8.4182 -8.4182 -8.3777 -8.3777 -8.2989 -8.2989 -4.0217 -4.0217 -3.5321 -3.5321 2.1296 2.1296 3.7502 3.7502 3.9799 3.9799 4.1231 4.1231 4.9512 4.9512 4.9886 4.9886 7.5813 7.5813 7.6701 7.6701 7.9397 7.9397 8.2060 8.2060 9.3194 9.3194 k = 0.0200 0.0200 0.2947 ( 7736 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8978 -36.8978 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9592 -24.9592 -24.9258 -24.9258 -8.7210 -8.7210 -8.6334 -8.6334 -8.4753 -8.4753 -8.4173 -8.4173 -8.3783 -8.3783 -8.2983 -8.2983 -4.0255 -4.0255 -3.5346 -3.5346 2.1282 2.1282 3.8025 3.8025 3.9966 3.9966 4.0751 4.0751 4.9661 4.9661 5.0031 5.0031 7.5523 7.5523 7.6532 7.6532 7.9171 7.9171 8.1862 8.1862 9.3695 9.3695 k = 0.0100 0.0100 0.2947 ( 7750 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1715 -37.1715 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6329 -8.6329 -8.4755 -8.4755 -8.4168 -8.4168 -8.3786 -8.3786 -8.2979 -8.2979 -4.0278 -4.0278 -3.5362 -3.5362 2.1273 2.1273 3.8470 3.8470 4.0044 4.0044 4.0355 4.0355 4.9750 4.9750 5.0121 5.0121 7.5347 7.5347 7.6430 7.6430 7.9035 7.9035 8.1741 8.1741 9.4021 9.4021 k = 0.0000 0.0000 0.2947 ( 7754 PWs) bands (ev): -70.2370 -70.2370 -70.2347 -70.2347 -37.1819 -37.1819 -37.1716 -37.1716 -36.8979 -36.8979 -36.8899 -36.8899 -36.8866 -36.8866 -36.8800 -36.8800 -24.9593 -24.9593 -24.9257 -24.9257 -8.7209 -8.7209 -8.6327 -8.6327 -8.4755 -8.4755 -8.4166 -8.4166 -8.3787 -8.3787 -8.2977 -8.2977 -4.0285 -4.0285 -3.5367 -3.5367 2.1270 2.1270 3.8676 3.8676 4.0009 4.0009 4.0226 4.0226 4.9780 4.9780 5.0151 5.0151 7.5288 7.5288 7.6396 7.6396 7.8990 7.8990 8.1700 8.1700 9.4134 9.4134 k = 0.0000 0.5000-0.0000 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8884 -36.8884 -36.8884 -36.8884 -24.9391 -24.9391 -24.9391 -24.9391 -8.7272 -8.7272 -8.7272 -8.7272 -8.4565 -8.4565 -8.4565 -8.4565 -8.3547 -8.3547 -8.3547 -8.3547 -3.4652 -3.4652 -3.4652 -3.4652 2.1161 2.1161 2.1161 2.1161 3.8892 3.8892 3.8892 3.8892 4.5205 4.5205 4.5205 4.5205 8.1008 8.1008 8.1008 8.1008 8.6310 8.6310 8.6310 8.6310 9.2546 9.2546 k = 0.0000 0.5000 0.0140 ( 7692 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7273 -8.7273 -8.7273 -8.7273 -8.4565 -8.4565 -8.4565 -8.4565 -8.3547 -8.3547 -8.3547 -8.3547 -3.4651 -3.4651 -3.4651 -3.4651 2.1144 2.1144 2.1144 2.1144 3.8913 3.8913 3.8913 3.8913 4.5204 4.5204 4.5204 4.5204 8.0966 8.0966 8.0966 8.0966 8.6311 8.6311 8.6311 8.6311 9.2562 9.2562 k = 0.0000 0.5000 0.0281 ( 7672 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7274 -8.7274 -8.7274 -8.7274 -8.4564 -8.4564 -8.4564 -8.4564 -8.3547 -8.3547 -8.3547 -8.3547 -3.4646 -3.4646 -3.4646 -3.4646 2.1096 2.1096 2.1096 2.1096 3.8976 3.8976 3.8976 3.8976 4.5201 4.5201 4.5201 4.5201 8.0841 8.0841 8.0841 8.0841 8.6312 8.6312 8.6312 8.6312 9.2611 9.2611 k = 0.0000 0.5000 0.0421 ( 7664 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7275 -8.7275 -8.7275 -8.7275 -8.4564 -8.4564 -8.4564 -8.4564 -8.3546 -8.3546 -8.3546 -8.3546 -3.4639 -3.4639 -3.4639 -3.4639 2.1017 2.1017 2.1017 2.1017 3.9078 3.9078 3.9078 3.9078 4.5196 4.5196 4.5196 4.5196 8.0642 8.0642 8.0642 8.0642 8.6314 8.6314 8.6314 8.6314 9.2692 9.2692 k = 0.0000 0.5000 0.0561 ( 7670 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7277 -8.7277 -8.7277 -8.7277 -8.4564 -8.4564 -8.4564 -8.4564 -8.3544 -8.3544 -8.3544 -8.3544 -3.4628 -3.4628 -3.4628 -3.4628 2.0910 2.0910 2.0910 2.0910 3.9217 3.9217 3.9217 3.9217 4.5190 4.5190 4.5190 4.5190 8.0381 8.0381 8.0381 8.0381 8.6317 8.6317 8.6317 8.6317 9.2805 9.2805 k = 0.0000 0.5000 0.0702 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7280 -8.7280 -8.7280 -8.7280 -8.4564 -8.4564 -8.4564 -8.4564 -8.3543 -8.3543 -8.3543 -8.3543 -3.4615 -3.4615 -3.4615 -3.4615 2.0779 2.0779 2.0779 2.0779 3.9389 3.9389 3.9389 3.9389 4.5182 4.5182 4.5182 4.5182 8.0071 8.0071 8.0071 8.0071 8.6321 8.6321 8.6321 8.6321 9.2947 9.2947 k = 0.0000 0.5000 0.0842 ( 7676 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7283 -8.7283 -8.7283 -8.7283 -8.4564 -8.4564 -8.4564 -8.4564 -8.3541 -8.3541 -8.3541 -8.3541 -3.4600 -3.4600 -3.4600 -3.4600 2.0627 2.0627 2.0627 2.0627 3.9588 3.9588 3.9588 3.9588 4.5172 4.5172 4.5172 4.5172 7.9726 7.9726 7.9726 7.9726 8.6327 8.6327 8.6327 8.6327 9.3118 9.3118 k = 0.0000 0.5000 0.0982 ( 7688 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7287 -8.7287 -8.7287 -8.7287 -8.4564 -8.4564 -8.4564 -8.4564 -8.3538 -8.3538 -8.3538 -8.3538 -3.4583 -3.4583 -3.4583 -3.4583 2.0459 2.0459 2.0459 2.0459 3.9810 3.9810 3.9810 3.9810 4.5162 4.5162 4.5162 4.5162 7.9359 7.9359 7.9359 7.9359 8.6334 8.6334 8.6334 8.6334 9.3315 9.3315 k = 0.0000 0.5000 0.1123 ( 7688 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7291 -8.7291 -8.7291 -8.7291 -8.4563 -8.4563 -8.4563 -8.4563 -8.3536 -8.3536 -8.3536 -8.3536 -3.4564 -3.4564 -3.4564 -3.4564 2.0280 2.0280 2.0280 2.0280 4.0048 4.0048 4.0048 4.0048 4.5150 4.5150 4.5150 4.5150 7.8980 7.8980 7.8980 7.8980 8.6341 8.6341 8.6341 8.6341 9.3535 9.3535 k = 0.0000 0.5000 0.1263 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7295 -8.7295 -8.7295 -8.7295 -8.4563 -8.4563 -8.4563 -8.4563 -8.3533 -8.3533 -8.3533 -8.3533 -3.4544 -3.4544 -3.4544 -3.4544 2.0094 2.0094 2.0094 2.0094 4.0298 4.0298 4.0298 4.0298 4.5138 4.5138 4.5138 4.5138 7.8600 7.8600 7.8600 7.8600 8.6350 8.6350 8.6350 8.6350 9.3777 9.3777 k = 0.0000 0.5000 0.1403 ( 7694 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7299 -8.7299 -8.7299 -8.7299 -8.4563 -8.4563 -8.4563 -8.4563 -8.3531 -8.3531 -8.3531 -8.3531 -3.4523 -3.4523 -3.4523 -3.4523 1.9905 1.9905 1.9905 1.9905 4.0553 4.0553 4.0553 4.0553 4.5126 4.5126 4.5126 4.5126 7.8226 7.8226 7.8226 7.8226 8.6359 8.6359 8.6359 8.6359 9.4035 9.4035 k = 0.0000 0.5000 0.1544 ( 7684 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7304 -8.7304 -8.7304 -8.7304 -8.4563 -8.4563 -8.4563 -8.4563 -8.3528 -8.3528 -8.3528 -8.3528 -3.4502 -3.4502 -3.4502 -3.4502 1.9718 1.9718 1.9718 1.9718 4.0808 4.0808 4.0808 4.0808 4.5113 4.5113 4.5113 4.5113 7.7866 7.7866 7.7866 7.7866 8.6369 8.6369 8.6369 8.6369 9.4306 9.4306 k = 0.0000 0.5000 0.1684 ( 7690 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7308 -8.7308 -8.7308 -8.7308 -8.4562 -8.4562 -8.4562 -8.4562 -8.3526 -8.3526 -8.3526 -8.3526 -3.4481 -3.4481 -3.4481 -3.4481 1.9537 1.9537 1.9537 1.9537 4.1057 4.1057 4.1057 4.1057 4.5101 4.5101 4.5101 4.5101 7.7525 7.7525 7.7525 7.7525 8.6379 8.6379 8.6379 8.6379 9.4585 9.4585 k = 0.0000 0.5000 0.1824 ( 7682 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7312 -8.7312 -8.7312 -8.7312 -8.4562 -8.4562 -8.4562 -8.4562 -8.3523 -8.3523 -8.3523 -8.3523 -3.4461 -3.4461 -3.4461 -3.4461 1.9365 1.9365 1.9365 1.9365 4.1295 4.1295 4.1295 4.1295 4.5089 4.5089 4.5089 4.5089 7.7209 7.7209 7.7209 7.7209 8.6389 8.6389 8.6389 8.6389 9.4866 9.4866 k = 0.0000 0.5000 0.1964 ( 7682 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7316 -8.7316 -8.7316 -8.7316 -8.4562 -8.4562 -8.4562 -8.4562 -8.3521 -8.3521 -8.3521 -8.3521 -3.4442 -3.4442 -3.4442 -3.4442 1.9206 1.9206 1.9206 1.9206 4.1517 4.1517 4.1517 4.1517 4.5078 4.5078 4.5078 4.5078 7.6920 7.6920 7.6920 7.6920 8.6398 8.6398 8.6398 8.6398 9.5142 9.5142 k = 0.0000 0.5000 0.2105 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7320 -8.7320 -8.7320 -8.7320 -8.4562 -8.4562 -8.4562 -8.4562 -8.3518 -8.3518 -8.3518 -8.3518 -3.4425 -3.4425 -3.4425 -3.4425 1.9062 1.9062 1.9062 1.9062 4.1720 4.1720 4.1720 4.1720 4.5068 4.5068 4.5068 4.5068 7.6664 7.6664 7.6664 7.6664 8.6407 8.6407 8.6407 8.6407 9.5406 9.5406 k = 0.0000 0.5000 0.2245 ( 7702 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1767 -37.1767 -37.1767 -37.1767 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7323 -8.7323 -8.7323 -8.7323 -8.4561 -8.4561 -8.4561 -8.4561 -8.3517 -8.3517 -8.3517 -8.3517 -3.4409 -3.4409 -3.4409 -3.4409 1.8937 1.8937 1.8937 1.8937 4.1898 4.1898 4.1898 4.1898 4.5059 4.5059 4.5059 4.5059 7.6442 7.6442 7.6442 7.6442 8.6414 8.6414 8.6414 8.6414 9.5649 9.5649 k = 0.0000 0.5000 0.2385 ( 7688 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7326 -8.7326 -8.7326 -8.7326 -8.4561 -8.4561 -8.4561 -8.4561 -8.3515 -8.3515 -8.3515 -8.3515 -3.4396 -3.4396 -3.4396 -3.4396 1.8831 1.8831 1.8831 1.8831 4.2048 4.2048 4.2048 4.2048 4.5051 4.5051 4.5051 4.5051 7.6257 7.6257 7.6257 7.6257 8.6421 8.6421 8.6421 8.6421 9.5865 9.5865 k = 0.0000 0.5000 0.2526 ( 7690 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7328 -8.7328 -8.7328 -8.7328 -8.4561 -8.4561 -8.4561 -8.4561 -8.3514 -8.3514 -8.3514 -8.3514 -3.4386 -3.4386 -3.4386 -3.4386 1.8747 1.8747 1.8747 1.8747 4.2169 4.2169 4.2169 4.2169 4.5045 4.5045 4.5045 4.5045 7.6112 7.6112 7.6112 7.6112 8.6426 8.6426 8.6426 8.6426 9.6043 9.6043 k = 0.0000 0.5000 0.2666 ( 7694 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7329 -8.7329 -8.7329 -8.7329 -8.4561 -8.4561 -8.4561 -8.4561 -8.3513 -8.3513 -8.3513 -8.3513 -3.4378 -3.4378 -3.4378 -3.4378 1.8686 1.8686 1.8686 1.8686 4.2256 4.2256 4.2256 4.2256 4.5041 4.5041 4.5041 4.5041 7.6006 7.6006 7.6006 7.6006 8.6430 8.6430 8.6430 8.6430 9.6177 9.6177 k = 0.0000 0.5000 0.2806 ( 7690 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7330 -8.7330 -8.7330 -8.7330 -8.4561 -8.4561 -8.4561 -8.4561 -8.3512 -8.3512 -8.3512 -8.3512 -3.4373 -3.4373 -3.4373 -3.4373 1.8649 1.8649 1.8649 1.8649 4.2309 4.2309 4.2309 4.2309 4.5038 4.5038 4.5038 4.5038 7.5943 7.5943 7.5943 7.5943 8.6432 8.6432 8.6432 8.6432 9.6260 9.6260 k = 0.0000 0.5000 0.2947 ( 7664 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1766 -37.1766 -37.1766 -37.1766 -36.8890 -36.8890 -36.8890 -36.8890 -36.8883 -36.8883 -36.8883 -36.8883 -24.9391 -24.9391 -24.9391 -24.9391 -8.7331 -8.7331 -8.7331 -8.7331 -8.4561 -8.4561 -8.4561 -8.4561 -8.3512 -8.3512 -8.3512 -8.3512 -3.4371 -3.4371 -3.4371 -3.4371 1.8637 1.8637 1.8637 1.8637 4.2327 4.2327 4.2327 4.2327 4.5037 4.5037 4.5037 4.5037 7.5922 7.5922 7.5922 7.5922 8.6433 8.6433 8.6433 8.6433 9.6289 9.6289 k = 0.5000 0.5000-0.0000 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4830 -8.4830 -8.4830 -8.4830 -8.3747 -8.3747 -8.3747 -8.3747 -3.3370 -3.3370 -3.3370 -3.3370 2.2049 2.2049 2.2049 2.2049 3.6778 3.6778 3.6778 3.6778 3.7090 3.7090 3.7090 3.7090 7.2905 7.2905 7.2905 7.2905 7.7993 7.7993 7.7993 7.7993 11.2090 11.2090 k = 0.5000 0.5000 0.0140 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4830 -8.4830 -8.4830 -8.4830 -8.3747 -8.3747 -8.3747 -8.3747 -3.3369 -3.3369 -3.3369 -3.3369 2.2047 2.2047 2.2047 2.2047 3.6776 3.6776 3.6776 3.6776 3.7076 3.7076 3.7076 3.7076 7.2947 7.2947 7.2947 7.2947 7.8021 7.8021 7.8021 7.8021 11.1946 11.1946 k = 0.5000 0.5000 0.0281 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4830 -8.4830 -8.4830 -8.4830 -8.3748 -8.3748 -8.3748 -8.3748 -3.3365 -3.3365 -3.3365 -3.3365 2.2043 2.2043 2.2043 2.2043 3.6765 3.6765 3.6765 3.6765 3.7037 3.7037 3.7037 3.7037 7.3073 7.3073 7.3073 7.3073 7.8105 7.8105 7.8105 7.8105 11.1530 11.1530 k = 0.5000 0.5000 0.0421 ( 7752 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7158 -8.7158 -8.7158 -8.7158 -8.4831 -8.4831 -8.4831 -8.4831 -8.3748 -8.3748 -8.3748 -8.3748 -3.3358 -3.3358 -3.3358 -3.3358 2.2035 2.2035 2.2035 2.2035 3.6739 3.6739 3.6739 3.6739 3.6983 3.6983 3.6983 3.6983 7.3280 7.3280 7.3280 7.3280 7.8246 7.8246 7.8246 7.8246 11.0875 11.0875 k = 0.5000 0.5000 0.0561 ( 7728 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4831 -8.4831 -8.4831 -8.4831 -8.3749 -8.3749 -8.3749 -8.3749 -3.3349 -3.3349 -3.3349 -3.3349 2.2025 2.2025 2.2025 2.2025 3.6680 3.6680 3.6680 3.6680 3.6933 3.6933 3.6933 3.6933 7.3565 7.3565 7.3565 7.3565 7.8442 7.8442 7.8442 7.8442 11.0028 11.0028 k = 0.5000 0.5000 0.0702 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4831 -8.4831 -8.4831 -8.4831 -8.3750 -8.3750 -8.3750 -8.3750 -3.3338 -3.3338 -3.3338 -3.3338 2.2012 2.2012 2.2012 2.2012 3.6575 3.6575 3.6575 3.6575 3.6903 3.6903 3.6903 3.6903 7.3922 7.3922 7.3922 7.3922 7.8694 7.8694 7.8694 7.8694 10.9033 10.9033 k = 0.5000 0.5000 0.0842 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4831 -8.4831 -8.4831 -8.4831 -8.3752 -8.3752 -8.3752 -8.3752 -3.3324 -3.3324 -3.3324 -3.3324 2.1998 2.1998 2.1998 2.1998 3.6432 3.6432 3.6432 3.6432 3.6891 3.6891 3.6891 3.6891 7.4345 7.4345 7.4345 7.4345 7.9001 7.9001 7.9001 7.9001 10.7930 10.7930 k = 0.5000 0.5000 0.0982 ( 7696 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4831 -8.4831 -8.4831 -8.4831 -8.3753 -8.3753 -8.3753 -8.3753 -3.3309 -3.3309 -3.3309 -3.3309 2.1981 2.1981 2.1981 2.1981 3.6262 3.6262 3.6262 3.6262 3.6887 3.6887 3.6887 3.6887 7.4825 7.4825 7.4825 7.4825 7.9362 7.9362 7.9362 7.9362 10.6750 10.6750 k = 0.5000 0.5000 0.1123 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4832 -8.4832 -8.4832 -8.4832 -8.3755 -8.3755 -8.3755 -8.3755 -3.3293 -3.3293 -3.3293 -3.3293 2.1963 2.1963 2.1963 2.1963 3.6075 3.6075 3.6075 3.6075 3.6888 3.6888 3.6888 3.6888 7.5355 7.5355 7.5355 7.5355 7.9777 7.9777 7.9777 7.9777 10.5519 10.5519 k = 0.5000 0.5000 0.1263 ( 7712 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7157 -8.7157 -8.7157 -8.7157 -8.4832 -8.4832 -8.4832 -8.4832 -8.3756 -8.3756 -8.3756 -8.3756 -3.3276 -3.3276 -3.3276 -3.3276 2.1943 2.1943 2.1943 2.1943 3.5877 3.5877 3.5877 3.5877 3.6892 3.6892 3.6892 3.6892 7.5924 7.5924 7.5924 7.5924 8.0246 8.0246 8.0246 8.0246 10.4254 10.4254 k = 0.5000 0.5000 0.1403 ( 7716 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7156 -8.7156 -8.7156 -8.7156 -8.4832 -8.4832 -8.4832 -8.4832 -8.3758 -8.3758 -8.3758 -8.3758 -3.3258 -3.3258 -3.3258 -3.3258 2.1924 2.1924 2.1924 2.1924 3.5675 3.5675 3.5675 3.5675 3.6898 3.6898 3.6898 3.6898 7.6521 7.6521 7.6521 7.6521 8.0767 8.0767 8.0767 8.0767 10.2971 10.2971 k = 0.5000 0.5000 0.1544 ( 7724 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7156 -8.7156 -8.7156 -8.7156 -8.4832 -8.4832 -8.4832 -8.4832 -8.3760 -8.3760 -8.3760 -8.3760 -3.3239 -3.3239 -3.3239 -3.3239 2.1904 2.1904 2.1904 2.1904 3.5472 3.5472 3.5472 3.5472 3.6904 3.6904 3.6904 3.6904 7.7136 7.7136 7.7136 7.7136 8.1340 8.1340 8.1340 8.1340 10.1680 10.1680 k = 0.5000 0.5000 0.1684 ( 7720 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7156 -8.7156 -8.7156 -8.7156 -8.4833 -8.4833 -8.4833 -8.4833 -8.3762 -8.3762 -8.3762 -8.3762 -3.3221 -3.3221 -3.3221 -3.3221 2.1884 2.1884 2.1884 2.1884 3.5275 3.5275 3.5275 3.5275 3.6910 3.6910 3.6910 3.6910 7.7756 7.7756 7.7756 7.7756 8.1964 8.1964 8.1964 8.1964 10.0391 10.0391 k = 0.5000 0.5000 0.1824 ( 7736 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7156 -8.7156 -8.7156 -8.7156 -8.4833 -8.4833 -8.4833 -8.4833 -8.3764 -8.3764 -8.3764 -8.3764 -3.3204 -3.3204 -3.3204 -3.3204 2.1865 2.1865 2.1865 2.1865 3.5087 3.5087 3.5087 3.5087 3.6917 3.6917 3.6917 3.6917 7.8367 7.8367 7.8367 7.8367 8.2638 8.2638 8.2638 8.2638 9.9111 9.9111 k = 0.5000 0.5000 0.1964 ( 7732 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7156 -8.7156 -8.7156 -8.7156 -8.4833 -8.4833 -8.4833 -8.4833 -8.3765 -8.3765 -8.3765 -8.3765 -3.3187 -3.3187 -3.3187 -3.3187 2.1847 2.1847 2.1847 2.1847 3.4913 3.4913 3.4913 3.4913 3.6923 3.6923 3.6923 3.6923 7.8956 7.8956 7.8956 7.8956 8.3360 8.3360 8.3360 8.3360 9.7845 9.7845 k = 0.5000 0.5000 0.2105 ( 7740 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3767 -8.3767 -8.3767 -8.3767 -3.3172 -3.3172 -3.3172 -3.3172 2.1831 2.1831 2.1831 2.1831 3.4754 3.4754 3.4754 3.4754 3.6929 3.6929 3.6929 3.6929 7.9509 7.9509 7.9509 7.9509 8.4130 8.4130 8.4130 8.4130 9.6598 9.6598 k = 0.5000 0.5000 0.2245 ( 7736 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3768 -8.3768 -8.3768 -8.3768 -3.3158 -3.3158 -3.3158 -3.3158 2.1816 2.1816 2.1816 2.1816 3.4615 3.4615 3.4615 3.4615 3.6934 3.6934 3.6934 3.6934 8.0010 8.0010 8.0010 8.0010 8.4946 8.4946 8.4946 8.4946 9.5375 9.5375 k = 0.5000 0.5000 0.2385 ( 7720 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3769 -8.3769 -8.3769 -8.3769 -3.3147 -3.3147 -3.3147 -3.3147 2.1804 2.1804 2.1804 2.1804 3.4498 3.4498 3.4498 3.4498 3.6939 3.6939 3.6939 3.6939 8.0445 8.0445 8.0445 8.0445 8.5807 8.5807 8.5807 8.5807 9.4178 9.4178 k = 0.5000 0.5000 0.2526 ( 7728 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3770 -8.3770 -8.3770 -8.3770 -3.3138 -3.3138 -3.3138 -3.3138 2.1794 2.1794 2.1794 2.1794 3.4405 3.4405 3.4405 3.4405 3.6942 3.6942 3.6942 3.6942 8.0800 8.0800 8.0800 8.0800 8.6710 8.6710 8.6710 8.6710 9.3012 9.3012 k = 0.5000 0.5000 0.2666 ( 7728 PWs) bands (ev): -70.2359 -70.2359 -70.2359 -70.2359 -37.1770 -37.1770 -37.1770 -37.1770 -36.8949 -36.8949 -36.8949 -36.8949 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3771 -8.3771 -8.3771 -8.3771 -3.3131 -3.3131 -3.3131 -3.3131 2.1787 2.1787 2.1787 2.1787 3.4337 3.4337 3.4337 3.4337 3.6945 3.6945 3.6945 3.6945 8.1064 8.1064 8.1064 8.1064 8.7654 8.7654 8.7654 8.7654 9.1880 9.1880 k = 0.5000 0.5000 0.2806 ( 7704 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8824 -36.8824 -36.8824 -36.8824 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3771 -8.3771 -8.3771 -8.3771 -3.3127 -3.3127 -3.3127 -3.3127 2.1783 2.1783 2.1783 2.1783 3.4296 3.4296 3.4296 3.4296 3.6946 3.6946 3.6946 3.6946 8.1226 8.1226 8.1226 8.1226 8.8628 8.8628 8.8628 8.8628 9.0793 9.0793 k = 0.5000 0.5000 0.2947 ( 7680 PWs) bands (ev): -70.2358 -70.2358 -70.2358 -70.2358 -37.1770 -37.1770 -37.1770 -37.1770 -36.8948 -36.8948 -36.8948 -36.8948 -36.8823 -36.8823 -36.8823 -36.8823 -24.9358 -24.9358 -24.9358 -24.9358 -8.7155 -8.7155 -8.7155 -8.7155 -8.4834 -8.4834 -8.4834 -8.4834 -8.3771 -8.3771 -8.3771 -8.3771 -3.3125 -3.3125 -3.3125 -3.3125 2.1781 2.1781 2.1781 2.1781 3.4283 3.4283 3.4283 3.4283 3.6947 3.6947 3.6947 3.6947 8.1281 8.1281 8.1281 8.1281 8.9423 8.9423 8.9423 8.9423 8.9960 8.9960 Writing output data file KMgP.save init_run : 0.38s CPU 0.57s WALL ( 1 calls) electrons : 237.32s CPU 240.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 237.31s CPU 240.74s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.13s WALL ( 316 calls) cegterg : 219.42s CPU 221.96s WALL ( 543 calls) Called by sum_band: Called by *egterg: h_psi : 119.66s CPU 121.49s WALL ( 8633 calls) s_psi : 8.66s CPU 8.50s WALL ( 8633 calls) g_psi : 0.46s CPU 0.47s WALL ( 7774 calls) cdiaghg : 70.89s CPU 71.93s WALL ( 8090 calls) cegterg:over : 11.68s CPU 11.85s WALL ( 7774 calls) cegterg:upda : 11.64s CPU 11.73s WALL ( 7774 calls) cegterg:last : 5.38s CPU 5.34s WALL ( 1176 calls) cdiaghg:chol : 4.01s CPU 4.14s WALL ( 8090 calls) cdiaghg:inve : 2.89s CPU 2.87s WALL ( 8090 calls) cdiaghg:para : 4.41s CPU 4.55s WALL ( 16180 calls) Called by h_psi: h_psi:vloc : 100.26s CPU 101.75s WALL ( 8633 calls) h_psi:vnl : 18.96s CPU 19.23s WALL ( 8633 calls) add_vuspsi : 9.82s CPU 9.85s WALL ( 8633 calls) General routines calbec : 9.11s CPU 9.36s WALL ( 8633 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.06s CPU 94.71s WALL ( 871136 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.37s WALL ( 632 calls) Parallel routines fft_scatter : 31.14s CPU 31.47s WALL ( 871159 calls) PWSCF : 4m21.81s CPU 4m43.42s WALL This run was terminated on: 20:18:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=