Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 0:11 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: ./BaO.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 49 28 9 1141 496 85 Max 51 29 10 1143 511 87 Sum 1781 1041 325 41095 18179 3091 bravais-lattice index = 14 lattice parameter (alat) = 8.3091 a.u. unit-cell volume = 416.9809 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.309125 celldm(2)= 1.000000 celldm(3)= 0.726859 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.726859 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.375782 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 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= 405 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0024691 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0024691 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0024691 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0024691 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0024691 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0024691 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0024691 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0024691 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0024691 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0024691 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0024691 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024691 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0024691 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0024691 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0024691 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0024691 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0024691 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0024691 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0024691 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0024691 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0024691 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0024691 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0024691 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0024691 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0024691 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0024691 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0024691 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0024691 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0024691 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0024691 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0024691 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0024691 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0024691 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0024691 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0024691 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024691 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024691 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0024691 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0024691 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0024691 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0024691 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0024691 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0024691 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0024691 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0024691 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0024691 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0024691 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0024691 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0024691 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0024691 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0024691 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0024691 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0024691 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0024691 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0024691 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0024691 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0024691 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0024691 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0024691 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0024691 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024691 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0024691 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0024691 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0024691 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0024691 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0024691 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0024691 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0024691 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0024691 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0024691 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0024691 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0024691 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024691 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024691 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0024691 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0024691 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0024691 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0024691 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0024691 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0024691 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0024691 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0024691 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0024691 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0024691 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0024691 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0024691 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0024691 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0024691 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0024691 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0024691 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024691 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0024691 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0024691 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0024691 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0024691 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0024691 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0024691 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0024691 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0024691 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0024691 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0024691 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0024691 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0024691 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0024691 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0024691 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0024691 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0024691 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024691 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0024691 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0024691 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0024691 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0024691 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0024691 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0024691 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0024691 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0024691 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0024691 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0024691 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0024691 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0024691 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0024691 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0024691 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0024691 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0024691 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 128) = ( 0.0000000 0.0000000 0.0137578), wk = 0.0024691 k( 129) = ( 0.0000000 0.0000000 0.0275156), wk = 0.0024691 k( 130) = ( 0.0000000 0.0000000 0.0412735), wk = 0.0024691 k( 131) = ( 0.0000000 0.0000000 0.0550313), wk = 0.0024691 k( 132) = ( 0.0000000 0.0000000 0.0687891), wk = 0.0024691 k( 133) = ( 0.0000000 0.0000000 0.0825469), wk = 0.0024691 k( 134) = ( 0.0000000 0.0000000 0.0963048), wk = 0.0024691 k( 135) = ( 0.0000000 0.0000000 0.1100626), wk = 0.0024691 k( 136) = ( 0.0000000 0.0000000 0.1238204), wk = 0.0024691 k( 137) = ( 0.0000000 0.0000000 0.1375782), wk = 0.0024691 k( 138) = ( 0.0000000 0.0000000 0.1513360), wk = 0.0024691 k( 139) = ( 0.0000000 0.0000000 0.1650939), wk = 0.0024691 k( 140) = ( 0.0000000 0.0000000 0.1788517), wk = 0.0024691 k( 141) = ( 0.0000000 0.0000000 0.1926095), wk = 0.0024691 k( 142) = ( 0.0000000 0.0000000 0.2063673), wk = 0.0024691 k( 143) = ( 0.0000000 0.0000000 0.2201252), wk = 0.0024691 k( 144) = ( 0.0000000 0.0000000 0.2338830), wk = 0.0024691 k( 145) = ( 0.0000000 0.0000000 0.2476408), wk = 0.0024691 k( 146) = ( 0.0000000 0.0000000 0.2613986), wk = 0.0024691 k( 147) = ( 0.0000000 0.0000000 0.2751564), wk = 0.0024691 k( 148) = ( 0.0000000 0.0000000 0.2889143), wk = 0.0024691 k( 149) = ( 0.0000000 0.0000000 0.3026721), wk = 0.0024691 k( 150) = ( 0.0000000 0.0000000 0.3164299), wk = 0.0024691 k( 151) = ( 0.0000000 0.0000000 0.3301877), wk = 0.0024691 k( 152) = ( 0.0000000 0.0000000 0.3439456), wk = 0.0024691 k( 153) = ( 0.0000000 0.0000000 0.3577034), wk = 0.0024691 k( 154) = ( 0.0000000 0.0000000 0.3714612), wk = 0.0024691 k( 155) = ( 0.0000000 0.0000000 0.3852190), wk = 0.0024691 k( 156) = ( 0.0000000 0.0000000 0.3989768), wk = 0.0024691 k( 157) = ( 0.0000000 0.0000000 0.4127347), wk = 0.0024691 k( 158) = ( 0.0000000 0.0000000 0.4264925), wk = 0.0024691 k( 159) = ( 0.0000000 0.0000000 0.4402503), wk = 0.0024691 k( 160) = ( 0.0000000 0.0000000 0.4540081), wk = 0.0024691 k( 161) = ( 0.0000000 0.0000000 0.4677660), wk = 0.0024691 k( 162) = ( 0.0000000 0.0000000 0.4815238), wk = 0.0024691 k( 163) = ( 0.0000000 0.0000000 0.4952816), wk = 0.0024691 k( 164) = ( 0.0000000 0.0000000 0.5090394), wk = 0.0024691 k( 165) = ( 0.0000000 0.0000000 0.5227972), wk = 0.0024691 k( 166) = ( 0.0000000 0.0000000 0.5365551), wk = 0.0024691 k( 167) = ( 0.0000000 0.0000000 0.5503129), wk = 0.0024691 k( 168) = ( 0.0000000 0.0000000 0.5640707), wk = 0.0024691 k( 169) = ( 0.0000000 0.0000000 0.5778285), wk = 0.0024691 k( 170) = ( 0.0000000 0.0000000 0.5915864), wk = 0.0024691 k( 171) = ( 0.0000000 0.0000000 0.6053442), wk = 0.0024691 k( 172) = ( 0.0000000 0.0000000 0.6191020), wk = 0.0024691 k( 173) = ( 0.0000000 0.0000000 0.6328598), wk = 0.0024691 k( 174) = ( 0.0000000 0.0000000 0.6466176), wk = 0.0024691 k( 175) = ( 0.0000000 0.0000000 0.6603755), wk = 0.0024691 k( 176) = ( 0.0000000 0.0000000 0.6741333), wk = 0.0024691 k( 177) = ( 0.0000000 0.0000000 0.6878911), wk = 0.0024691 k( 178) = ( 0.0000000 0.0000000 0.6878911), wk = 0.0024691 k( 179) = ( 0.0000000 0.0138889 0.6878911), wk = 0.0024691 k( 180) = ( 0.0000000 0.0277778 0.6878911), wk = 0.0024691 k( 181) = ( 0.0000000 0.0416667 0.6878911), wk = 0.0024691 k( 182) = ( 0.0000000 0.0555556 0.6878911), wk = 0.0024691 k( 183) = ( 0.0000000 0.0694444 0.6878911), wk = 0.0024691 k( 184) = ( 0.0000000 0.0833333 0.6878911), wk = 0.0024691 k( 185) = ( 0.0000000 0.0972222 0.6878911), wk = 0.0024691 k( 186) = ( 0.0000000 0.1111111 0.6878911), wk = 0.0024691 k( 187) = ( 0.0000000 0.1250000 0.6878911), wk = 0.0024691 k( 188) = ( 0.0000000 0.1388889 0.6878911), wk = 0.0024691 k( 189) = ( 0.0000000 0.1527778 0.6878911), wk = 0.0024691 k( 190) = ( 0.0000000 0.1666667 0.6878911), wk = 0.0024691 k( 191) = ( 0.0000000 0.1805556 0.6878911), wk = 0.0024691 k( 192) = ( 0.0000000 0.1944444 0.6878911), wk = 0.0024691 k( 193) = ( 0.0000000 0.2083333 0.6878911), wk = 0.0024691 k( 194) = ( 0.0000000 0.2222222 0.6878911), wk = 0.0024691 k( 195) = ( 0.0000000 0.2361111 0.6878911), wk = 0.0024691 k( 196) = ( 0.0000000 0.2500000 0.6878911), wk = 0.0024691 k( 197) = ( 0.0000000 0.2638889 0.6878911), wk = 0.0024691 k( 198) = ( 0.0000000 0.2777778 0.6878911), wk = 0.0024691 k( 199) = ( 0.0000000 0.2916667 0.6878911), wk = 0.0024691 k( 200) = ( 0.0000000 0.3055556 0.6878911), wk = 0.0024691 k( 201) = ( 0.0000000 0.3194444 0.6878911), wk = 0.0024691 k( 202) = ( 0.0000000 0.3333333 0.6878911), wk = 0.0024691 k( 203) = ( 0.0000000 0.3472222 0.6878911), wk = 0.0024691 k( 204) = ( 0.0000000 0.3611111 0.6878911), wk = 0.0024691 k( 205) = ( 0.0000000 0.3750000 0.6878911), wk = 0.0024691 k( 206) = ( 0.0000000 0.3888889 0.6878911), wk = 0.0024691 k( 207) = ( 0.0000000 0.4027778 0.6878911), wk = 0.0024691 k( 208) = ( 0.0000000 0.4166667 0.6878911), wk = 0.0024691 k( 209) = ( 0.0000000 0.4305556 0.6878911), wk = 0.0024691 k( 210) = ( 0.0000000 0.4444444 0.6878911), wk = 0.0024691 k( 211) = ( 0.0000000 0.4583333 0.6878911), wk = 0.0024691 k( 212) = ( 0.0000000 0.4722222 0.6878911), wk = 0.0024691 k( 213) = ( 0.0000000 0.4861111 0.6878911), wk = 0.0024691 k( 214) = ( 0.0000000 0.5000000 0.6878911), wk = 0.0024691 k( 215) = ( 0.0000000 0.5000000 0.6878911), wk = 0.0024691 k( 216) = ( 0.0138889 0.5000000 0.6878911), wk = 0.0024691 k( 217) = ( 0.0277778 0.5000000 0.6878911), wk = 0.0024691 k( 218) = ( 0.0416667 0.5000000 0.6878911), wk = 0.0024691 k( 219) = ( 0.0555556 0.5000000 0.6878911), wk = 0.0024691 k( 220) = ( 0.0694444 0.5000000 0.6878911), wk = 0.0024691 k( 221) = ( 0.0833333 0.5000000 0.6878911), wk = 0.0024691 k( 222) = ( 0.0972222 0.5000000 0.6878911), wk = 0.0024691 k( 223) = ( 0.1111111 0.5000000 0.6878911), wk = 0.0024691 k( 224) = ( 0.1250000 0.5000000 0.6878911), wk = 0.0024691 k( 225) = ( 0.1388889 0.5000000 0.6878911), wk = 0.0024691 k( 226) = ( 0.1527778 0.5000000 0.6878911), wk = 0.0024691 k( 227) = ( 0.1666667 0.5000000 0.6878911), wk = 0.0024691 k( 228) = ( 0.1805556 0.5000000 0.6878911), wk = 0.0024691 k( 229) = ( 0.1944444 0.5000000 0.6878911), wk = 0.0024691 k( 230) = ( 0.2083333 0.5000000 0.6878911), wk = 0.0024691 k( 231) = ( 0.2222222 0.5000000 0.6878911), wk = 0.0024691 k( 232) = ( 0.2361111 0.5000000 0.6878911), wk = 0.0024691 k( 233) = ( 0.2500000 0.5000000 0.6878911), wk = 0.0024691 k( 234) = ( 0.2638889 0.5000000 0.6878911), wk = 0.0024691 k( 235) = ( 0.2777778 0.5000000 0.6878911), wk = 0.0024691 k( 236) = ( 0.2916667 0.5000000 0.6878911), wk = 0.0024691 k( 237) = ( 0.3055556 0.5000000 0.6878911), wk = 0.0024691 k( 238) = ( 0.3194444 0.5000000 0.6878911), wk = 0.0024691 k( 239) = ( 0.3333333 0.5000000 0.6878911), wk = 0.0024691 k( 240) = ( 0.3472222 0.5000000 0.6878911), wk = 0.0024691 k( 241) = ( 0.3611111 0.5000000 0.6878911), wk = 0.0024691 k( 242) = ( 0.3750000 0.5000000 0.6878911), wk = 0.0024691 k( 243) = ( 0.3888889 0.5000000 0.6878911), wk = 0.0024691 k( 244) = ( 0.4027778 0.5000000 0.6878911), wk = 0.0024691 k( 245) = ( 0.4166667 0.5000000 0.6878911), wk = 0.0024691 k( 246) = ( 0.4305556 0.5000000 0.6878911), wk = 0.0024691 k( 247) = ( 0.4444444 0.5000000 0.6878911), wk = 0.0024691 k( 248) = ( 0.4583333 0.5000000 0.6878911), wk = 0.0024691 k( 249) = ( 0.4722222 0.5000000 0.6878911), wk = 0.0024691 k( 250) = ( 0.4861111 0.5000000 0.6878911), wk = 0.0024691 k( 251) = ( 0.5000000 0.5000000 0.6878911), wk = 0.0024691 k( 252) = ( 0.5000000 0.5000000 0.6878911), wk = 0.0024691 k( 253) = ( 0.4901961 0.4901961 0.6878911), wk = 0.0024691 k( 254) = ( 0.4803922 0.4803922 0.6878911), wk = 0.0024691 k( 255) = ( 0.4705882 0.4705882 0.6878911), wk = 0.0024691 k( 256) = ( 0.4607843 0.4607843 0.6878911), wk = 0.0024691 k( 257) = ( 0.4509804 0.4509804 0.6878911), wk = 0.0024691 k( 258) = ( 0.4411765 0.4411765 0.6878911), wk = 0.0024691 k( 259) = ( 0.4313726 0.4313725 0.6878911), wk = 0.0024691 k( 260) = ( 0.4215686 0.4215686 0.6878911), wk = 0.0024691 k( 261) = ( 0.4117647 0.4117647 0.6878911), wk = 0.0024691 k( 262) = ( 0.4019608 0.4019608 0.6878911), wk = 0.0024691 k( 263) = ( 0.3921569 0.3921569 0.6878911), wk = 0.0024691 k( 264) = ( 0.3823529 0.3823529 0.6878911), wk = 0.0024691 k( 265) = ( 0.3725490 0.3725490 0.6878911), wk = 0.0024691 k( 266) = ( 0.3627451 0.3627451 0.6878911), wk = 0.0024691 k( 267) = ( 0.3529412 0.3529412 0.6878911), wk = 0.0024691 k( 268) = ( 0.3431373 0.3431372 0.6878911), wk = 0.0024691 k( 269) = ( 0.3333333 0.3333333 0.6878911), wk = 0.0024691 k( 270) = ( 0.3235294 0.3235294 0.6878911), wk = 0.0024691 k( 271) = ( 0.3137255 0.3137255 0.6878911), wk = 0.0024691 k( 272) = ( 0.3039216 0.3039216 0.6878911), wk = 0.0024691 k( 273) = ( 0.2941177 0.2941176 0.6878911), wk = 0.0024691 k( 274) = ( 0.2843137 0.2843137 0.6878911), wk = 0.0024691 k( 275) = ( 0.2745098 0.2745098 0.6878911), wk = 0.0024691 k( 276) = ( 0.2647059 0.2647059 0.6878911), wk = 0.0024691 k( 277) = ( 0.2549020 0.2549020 0.6878911), wk = 0.0024691 k( 278) = ( 0.2450980 0.2450980 0.6878911), wk = 0.0024691 k( 279) = ( 0.2352941 0.2352941 0.6878911), wk = 0.0024691 k( 280) = ( 0.2254902 0.2254902 0.6878911), wk = 0.0024691 k( 281) = ( 0.2156863 0.2156863 0.6878911), wk = 0.0024691 k( 282) = ( 0.2058823 0.2058823 0.6878911), wk = 0.0024691 k( 283) = ( 0.1960784 0.1960784 0.6878911), wk = 0.0024691 k( 284) = ( 0.1862745 0.1862745 0.6878911), wk = 0.0024691 k( 285) = ( 0.1764706 0.1764706 0.6878911), wk = 0.0024691 k( 286) = ( 0.1666667 0.1666667 0.6878911), wk = 0.0024691 k( 287) = ( 0.1568627 0.1568627 0.6878911), wk = 0.0024691 k( 288) = ( 0.1470588 0.1470588 0.6878911), wk = 0.0024691 k( 289) = ( 0.1372549 0.1372549 0.6878911), wk = 0.0024691 k( 290) = ( 0.1274510 0.1274510 0.6878911), wk = 0.0024691 k( 291) = ( 0.1176471 0.1176471 0.6878911), wk = 0.0024691 k( 292) = ( 0.1078431 0.1078431 0.6878911), wk = 0.0024691 k( 293) = ( 0.0980392 0.0980392 0.6878911), wk = 0.0024691 k( 294) = ( 0.0882353 0.0882353 0.6878911), wk = 0.0024691 k( 295) = ( 0.0784314 0.0784314 0.6878911), wk = 0.0024691 k( 296) = ( 0.0686275 0.0686275 0.6878911), wk = 0.0024691 k( 297) = ( 0.0588235 0.0588235 0.6878911), wk = 0.0024691 k( 298) = ( 0.0490196 0.0490196 0.6878911), wk = 0.0024691 k( 299) = ( 0.0392157 0.0392157 0.6878911), wk = 0.0024691 k( 300) = ( 0.0294118 0.0294118 0.6878911), wk = 0.0024691 k( 301) = ( 0.0196078 0.0196078 0.6878911), wk = 0.0024691 k( 302) = ( 0.0098039 0.0098039 0.6878911), wk = 0.0024691 k( 303) = ( 0.0000000 0.0000000 0.6878911), wk = 0.0024691 k( 304) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024691 k( 305) = ( 0.0000000 0.5000000 0.0137578), wk = 0.0024691 k( 306) = ( 0.0000000 0.5000000 0.0275156), wk = 0.0024691 k( 307) = ( 0.0000000 0.5000000 0.0412735), wk = 0.0024691 k( 308) = ( 0.0000000 0.5000000 0.0550313), wk = 0.0024691 k( 309) = ( 0.0000000 0.5000000 0.0687891), wk = 0.0024691 k( 310) = ( 0.0000000 0.5000000 0.0825469), wk = 0.0024691 k( 311) = ( 0.0000000 0.5000000 0.0963048), wk = 0.0024691 k( 312) = ( 0.0000000 0.5000000 0.1100626), wk = 0.0024691 k( 313) = ( 0.0000000 0.5000000 0.1238204), wk = 0.0024691 k( 314) = ( 0.0000000 0.5000000 0.1375782), wk = 0.0024691 k( 315) = ( 0.0000000 0.5000000 0.1513360), wk = 0.0024691 k( 316) = ( 0.0000000 0.5000000 0.1650939), wk = 0.0024691 k( 317) = ( 0.0000000 0.5000000 0.1788517), wk = 0.0024691 k( 318) = ( 0.0000000 0.5000000 0.1926095), wk = 0.0024691 k( 319) = ( 0.0000000 0.5000000 0.2063673), wk = 0.0024691 k( 320) = ( 0.0000000 0.5000000 0.2201252), wk = 0.0024691 k( 321) = ( 0.0000000 0.5000000 0.2338830), wk = 0.0024691 k( 322) = ( 0.0000000 0.5000000 0.2476408), wk = 0.0024691 k( 323) = ( 0.0000000 0.5000000 0.2613986), wk = 0.0024691 k( 324) = ( 0.0000000 0.5000000 0.2751564), wk = 0.0024691 k( 325) = ( 0.0000000 0.5000000 0.2889143), wk = 0.0024691 k( 326) = ( 0.0000000 0.5000000 0.3026721), wk = 0.0024691 k( 327) = ( 0.0000000 0.5000000 0.3164299), wk = 0.0024691 k( 328) = ( 0.0000000 0.5000000 0.3301877), wk = 0.0024691 k( 329) = ( 0.0000000 0.5000000 0.3439456), wk = 0.0024691 k( 330) = ( 0.0000000 0.5000000 0.3577034), wk = 0.0024691 k( 331) = ( 0.0000000 0.5000000 0.3714612), wk = 0.0024691 k( 332) = ( 0.0000000 0.5000000 0.3852190), wk = 0.0024691 k( 333) = ( 0.0000000 0.5000000 0.3989768), wk = 0.0024691 k( 334) = ( 0.0000000 0.5000000 0.4127347), wk = 0.0024691 k( 335) = ( 0.0000000 0.5000000 0.4264925), wk = 0.0024691 k( 336) = ( 0.0000000 0.5000000 0.4402503), wk = 0.0024691 k( 337) = ( 0.0000000 0.5000000 0.4540081), wk = 0.0024691 k( 338) = ( 0.0000000 0.5000000 0.4677660), wk = 0.0024691 k( 339) = ( 0.0000000 0.5000000 0.4815238), wk = 0.0024691 k( 340) = ( 0.0000000 0.5000000 0.4952816), wk = 0.0024691 k( 341) = ( 0.0000000 0.5000000 0.5090394), wk = 0.0024691 k( 342) = ( 0.0000000 0.5000000 0.5227972), wk = 0.0024691 k( 343) = ( 0.0000000 0.5000000 0.5365551), wk = 0.0024691 k( 344) = ( 0.0000000 0.5000000 0.5503129), wk = 0.0024691 k( 345) = ( 0.0000000 0.5000000 0.5640707), wk = 0.0024691 k( 346) = ( 0.0000000 0.5000000 0.5778285), wk = 0.0024691 k( 347) = ( 0.0000000 0.5000000 0.5915864), wk = 0.0024691 k( 348) = ( 0.0000000 0.5000000 0.6053442), wk = 0.0024691 k( 349) = ( 0.0000000 0.5000000 0.6191020), wk = 0.0024691 k( 350) = ( 0.0000000 0.5000000 0.6328598), wk = 0.0024691 k( 351) = ( 0.0000000 0.5000000 0.6466176), wk = 0.0024691 k( 352) = ( 0.0000000 0.5000000 0.6603755), wk = 0.0024691 k( 353) = ( 0.0000000 0.5000000 0.6741333), wk = 0.0024691 k( 354) = ( 0.0000000 0.5000000 0.6878911), wk = 0.0024691 k( 355) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024691 k( 356) = ( 0.5000000 0.5000000 0.0137578), wk = 0.0024691 k( 357) = ( 0.5000000 0.5000000 0.0275156), wk = 0.0024691 k( 358) = ( 0.5000000 0.5000000 0.0412735), wk = 0.0024691 k( 359) = ( 0.5000000 0.5000000 0.0550313), wk = 0.0024691 k( 360) = ( 0.5000000 0.5000000 0.0687891), wk = 0.0024691 k( 361) = ( 0.5000000 0.5000000 0.0825469), wk = 0.0024691 k( 362) = ( 0.5000000 0.5000000 0.0963048), wk = 0.0024691 k( 363) = ( 0.5000000 0.5000000 0.1100626), wk = 0.0024691 k( 364) = ( 0.5000000 0.5000000 0.1238204), wk = 0.0024691 k( 365) = ( 0.5000000 0.5000000 0.1375782), wk = 0.0024691 k( 366) = ( 0.5000000 0.5000000 0.1513360), wk = 0.0024691 k( 367) = ( 0.5000000 0.5000000 0.1650939), wk = 0.0024691 k( 368) = ( 0.5000000 0.5000000 0.1788517), wk = 0.0024691 k( 369) = ( 0.5000000 0.5000000 0.1926095), wk = 0.0024691 k( 370) = ( 0.5000000 0.5000000 0.2063673), wk = 0.0024691 k( 371) = ( 0.5000000 0.5000000 0.2201252), wk = 0.0024691 k( 372) = ( 0.5000000 0.5000000 0.2338830), wk = 0.0024691 k( 373) = ( 0.5000000 0.5000000 0.2476408), wk = 0.0024691 k( 374) = ( 0.5000000 0.5000000 0.2613986), wk = 0.0024691 k( 375) = ( 0.5000000 0.5000000 0.2751564), wk = 0.0024691 k( 376) = ( 0.5000000 0.5000000 0.2889143), wk = 0.0024691 k( 377) = ( 0.5000000 0.5000000 0.3026721), wk = 0.0024691 k( 378) = ( 0.5000000 0.5000000 0.3164299), wk = 0.0024691 k( 379) = ( 0.5000000 0.5000000 0.3301877), wk = 0.0024691 k( 380) = ( 0.5000000 0.5000000 0.3439456), wk = 0.0024691 k( 381) = ( 0.5000000 0.5000000 0.3577034), wk = 0.0024691 k( 382) = ( 0.5000000 0.5000000 0.3714612), wk = 0.0024691 k( 383) = ( 0.5000000 0.5000000 0.3852190), wk = 0.0024691 k( 384) = ( 0.5000000 0.5000000 0.3989768), wk = 0.0024691 k( 385) = ( 0.5000000 0.5000000 0.4127347), wk = 0.0024691 k( 386) = ( 0.5000000 0.5000000 0.4264925), wk = 0.0024691 k( 387) = ( 0.5000000 0.5000000 0.4402503), wk = 0.0024691 k( 388) = ( 0.5000000 0.5000000 0.4540081), wk = 0.0024691 k( 389) = ( 0.5000000 0.5000000 0.4677660), wk = 0.0024691 k( 390) = ( 0.5000000 0.5000000 0.4815238), wk = 0.0024691 k( 391) = ( 0.5000000 0.5000000 0.4952816), wk = 0.0024691 k( 392) = ( 0.5000000 0.5000000 0.5090394), wk = 0.0024691 k( 393) = ( 0.5000000 0.5000000 0.5227972), wk = 0.0024691 k( 394) = ( 0.5000000 0.5000000 0.5365551), wk = 0.0024691 k( 395) = ( 0.5000000 0.5000000 0.5503129), wk = 0.0024691 k( 396) = ( 0.5000000 0.5000000 0.5640707), wk = 0.0024691 k( 397) = ( 0.5000000 0.5000000 0.5778285), wk = 0.0024691 k( 398) = ( 0.5000000 0.5000000 0.5915864), wk = 0.0024691 k( 399) = ( 0.5000000 0.5000000 0.6053442), wk = 0.0024691 k( 400) = ( 0.5000000 0.5000000 0.6191020), wk = 0.0024691 k( 401) = ( 0.5000000 0.5000000 0.6328598), wk = 0.0024691 k( 402) = ( 0.5000000 0.5000000 0.6466176), wk = 0.0024691 k( 403) = ( 0.5000000 0.5000000 0.6603755), wk = 0.0024691 k( 404) = ( 0.5000000 0.5000000 0.6741333), wk = 0.0024691 k( 405) = ( 0.5000000 0.5000000 0.6878911), wk = 0.0024691 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0024691 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0024691 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0024691 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0024691 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0024691 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0024691 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0024691 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0024691 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0024691 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0024691 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0024691 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0024691 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0024691 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0024691 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0024691 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0024691 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0024691 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0024691 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0024691 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0024691 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0024691 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0024691 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0024691 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024691 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0024691 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0024691 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0024691 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0024691 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0024691 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0024691 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0024691 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0024691 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0024691 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0024691 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0024691 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024691 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024691 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0024691 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0024691 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0024691 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0024691 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0024691 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0024691 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0024691 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0024691 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0024691 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0024691 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0024691 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0024691 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0024691 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0024691 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0024691 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0024691 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0024691 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0024691 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0024691 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0024691 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0024691 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0024691 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0024691 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0024691 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0024691 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0024691 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0024691 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0024691 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0024691 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0024691 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0024691 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0024691 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0024691 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0024691 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0024691 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024691 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024691 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0024691 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0024691 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0024691 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0024691 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0024691 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0024691 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0024691 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0024691 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0024691 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0024691 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0024691 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0024691 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0024691 k( 89) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0024691 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0024691 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0024691 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024691 k( 93) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0024691 k( 94) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0024691 k( 95) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0024691 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0024691 k( 97) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0024691 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0024691 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0024691 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0024691 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0024691 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0024691 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0024691 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0024691 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0024691 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0024691 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0024691 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0024691 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024691 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0024691 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0024691 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0024691 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0024691 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0024691 k( 115) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0024691 k( 116) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0024691 k( 117) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0024691 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0024691 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0024691 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0024691 k( 121) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0024691 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0024691 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0024691 k( 124) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0024691 k( 125) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0024691 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 128) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0024691 k( 129) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0024691 k( 130) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0024691 k( 131) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0024691 k( 132) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024691 k( 133) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0024691 k( 134) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0024691 k( 135) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0024691 k( 136) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0024691 k( 137) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024691 k( 138) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0024691 k( 139) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0024691 k( 140) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0024691 k( 141) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0024691 k( 142) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024691 k( 143) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0024691 k( 144) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0024691 k( 145) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0024691 k( 146) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0024691 k( 147) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024691 k( 148) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0024691 k( 149) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0024691 k( 150) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0024691 k( 151) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0024691 k( 152) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024691 k( 153) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0024691 k( 154) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0024691 k( 155) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0024691 k( 156) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0024691 k( 157) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024691 k( 158) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0024691 k( 159) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0024691 k( 160) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0024691 k( 161) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0024691 k( 162) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024691 k( 163) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0024691 k( 164) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0024691 k( 165) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0024691 k( 166) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0024691 k( 167) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024691 k( 168) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0024691 k( 169) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0024691 k( 170) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0024691 k( 171) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0024691 k( 172) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024691 k( 173) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0024691 k( 174) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0024691 k( 175) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0024691 k( 176) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0024691 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024691 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024691 k( 179) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0024691 k( 180) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0024691 k( 181) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0024691 k( 182) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0024691 k( 183) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0024691 k( 184) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0024691 k( 185) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0024691 k( 186) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0024691 k( 187) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0024691 k( 188) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0024691 k( 189) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0024691 k( 190) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024691 k( 191) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0024691 k( 192) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0024691 k( 193) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0024691 k( 194) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0024691 k( 195) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0024691 k( 196) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0024691 k( 197) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0024691 k( 198) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0024691 k( 199) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0024691 k( 200) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0024691 k( 201) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0024691 k( 202) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024691 k( 203) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0024691 k( 204) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0024691 k( 205) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0024691 k( 206) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0024691 k( 207) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0024691 k( 208) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0024691 k( 209) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0024691 k( 210) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0024691 k( 211) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0024691 k( 212) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0024691 k( 213) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0024691 k( 214) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024691 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024691 k( 216) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0024691 k( 217) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0024691 k( 218) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0024691 k( 219) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0024691 k( 220) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0024691 k( 221) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0024691 k( 222) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0024691 k( 223) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0024691 k( 224) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0024691 k( 225) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0024691 k( 226) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0024691 k( 227) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024691 k( 228) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0024691 k( 229) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0024691 k( 230) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0024691 k( 231) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0024691 k( 232) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0024691 k( 233) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0024691 k( 234) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0024691 k( 235) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0024691 k( 236) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0024691 k( 237) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0024691 k( 238) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0024691 k( 239) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024691 k( 240) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0024691 k( 241) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0024691 k( 242) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0024691 k( 243) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0024691 k( 244) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0024691 k( 245) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0024691 k( 246) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0024691 k( 247) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0024691 k( 248) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0024691 k( 249) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0024691 k( 250) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0024691 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 253) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0024691 k( 254) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0024691 k( 255) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0024691 k( 256) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0024691 k( 257) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0024691 k( 258) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0024691 k( 259) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0024691 k( 260) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0024691 k( 261) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0024691 k( 262) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0024691 k( 263) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0024691 k( 264) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0024691 k( 265) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0024691 k( 266) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0024691 k( 267) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0024691 k( 268) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0024691 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024691 k( 270) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0024691 k( 271) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0024691 k( 272) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0024691 k( 273) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0024691 k( 274) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0024691 k( 275) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0024691 k( 276) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0024691 k( 277) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0024691 k( 278) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0024691 k( 279) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0024691 k( 280) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0024691 k( 281) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0024691 k( 282) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0024691 k( 283) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0024691 k( 284) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0024691 k( 285) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0024691 k( 286) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024691 k( 287) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0024691 k( 288) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0024691 k( 289) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0024691 k( 290) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0024691 k( 291) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0024691 k( 292) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0024691 k( 293) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0024691 k( 294) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0024691 k( 295) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0024691 k( 296) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0024691 k( 297) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0024691 k( 298) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0024691 k( 299) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0024691 k( 300) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0024691 k( 301) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0024691 k( 302) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0024691 k( 303) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024691 k( 304) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024691 k( 305) = ( 0.0000000 0.5000000 0.0100000), wk = 0.0024691 k( 306) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0024691 k( 307) = ( 0.0000000 0.5000000 0.0300000), wk = 0.0024691 k( 308) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0024691 k( 309) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024691 k( 310) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0024691 k( 311) = ( 0.0000000 0.5000000 0.0700000), wk = 0.0024691 k( 312) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0024691 k( 313) = ( 0.0000000 0.5000000 0.0900000), wk = 0.0024691 k( 314) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024691 k( 315) = ( 0.0000000 0.5000000 0.1100000), wk = 0.0024691 k( 316) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0024691 k( 317) = ( 0.0000000 0.5000000 0.1300000), wk = 0.0024691 k( 318) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0024691 k( 319) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024691 k( 320) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0024691 k( 321) = ( 0.0000000 0.5000000 0.1700000), wk = 0.0024691 k( 322) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0024691 k( 323) = ( 0.0000000 0.5000000 0.1900000), wk = 0.0024691 k( 324) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024691 k( 325) = ( 0.0000000 0.5000000 0.2100000), wk = 0.0024691 k( 326) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0024691 k( 327) = ( 0.0000000 0.5000000 0.2300000), wk = 0.0024691 k( 328) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0024691 k( 329) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024691 k( 330) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0024691 k( 331) = ( 0.0000000 0.5000000 0.2700000), wk = 0.0024691 k( 332) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0024691 k( 333) = ( 0.0000000 0.5000000 0.2900000), wk = 0.0024691 k( 334) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024691 k( 335) = ( 0.0000000 0.5000000 0.3100000), wk = 0.0024691 k( 336) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0024691 k( 337) = ( 0.0000000 0.5000000 0.3300000), wk = 0.0024691 k( 338) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0024691 k( 339) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024691 k( 340) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0024691 k( 341) = ( 0.0000000 0.5000000 0.3700000), wk = 0.0024691 k( 342) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0024691 k( 343) = ( 0.0000000 0.5000000 0.3900000), wk = 0.0024691 k( 344) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024691 k( 345) = ( 0.0000000 0.5000000 0.4100000), wk = 0.0024691 k( 346) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0024691 k( 347) = ( 0.0000000 0.5000000 0.4300000), wk = 0.0024691 k( 348) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0024691 k( 349) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024691 k( 350) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0024691 k( 351) = ( 0.0000000 0.5000000 0.4700000), wk = 0.0024691 k( 352) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0024691 k( 353) = ( 0.0000000 0.5000000 0.4900000), wk = 0.0024691 k( 354) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024691 k( 355) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024691 k( 356) = ( 0.5000000 0.5000000 0.0100000), wk = 0.0024691 k( 357) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0024691 k( 358) = ( 0.5000000 0.5000000 0.0300000), wk = 0.0024691 k( 359) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0024691 k( 360) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0024691 k( 361) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0024691 k( 362) = ( 0.5000000 0.5000000 0.0700000), wk = 0.0024691 k( 363) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0024691 k( 364) = ( 0.5000000 0.5000000 0.0900000), wk = 0.0024691 k( 365) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0024691 k( 366) = ( 0.5000000 0.5000000 0.1100000), wk = 0.0024691 k( 367) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0024691 k( 368) = ( 0.5000000 0.5000000 0.1300000), wk = 0.0024691 k( 369) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0024691 k( 370) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0024691 k( 371) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0024691 k( 372) = ( 0.5000000 0.5000000 0.1700000), wk = 0.0024691 k( 373) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0024691 k( 374) = ( 0.5000000 0.5000000 0.1900000), wk = 0.0024691 k( 375) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0024691 k( 376) = ( 0.5000000 0.5000000 0.2100000), wk = 0.0024691 k( 377) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0024691 k( 378) = ( 0.5000000 0.5000000 0.2300000), wk = 0.0024691 k( 379) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0024691 k( 380) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024691 k( 381) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0024691 k( 382) = ( 0.5000000 0.5000000 0.2700000), wk = 0.0024691 k( 383) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0024691 k( 384) = ( 0.5000000 0.5000000 0.2900000), wk = 0.0024691 k( 385) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0024691 k( 386) = ( 0.5000000 0.5000000 0.3100000), wk = 0.0024691 k( 387) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0024691 k( 388) = ( 0.5000000 0.5000000 0.3300000), wk = 0.0024691 k( 389) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0024691 k( 390) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0024691 k( 391) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0024691 k( 392) = ( 0.5000000 0.5000000 0.3700000), wk = 0.0024691 k( 393) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0024691 k( 394) = ( 0.5000000 0.5000000 0.3900000), wk = 0.0024691 k( 395) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0024691 k( 396) = ( 0.5000000 0.5000000 0.4100000), wk = 0.0024691 k( 397) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0024691 k( 398) = ( 0.5000000 0.5000000 0.4300000), wk = 0.0024691 k( 399) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0024691 k( 400) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0024691 k( 401) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0024691 k( 402) = ( 0.5000000 0.5000000 0.4700000), wk = 0.0024691 k( 403) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0024691 k( 404) = ( 0.5000000 0.5000000 0.4900000), wk = 0.0024691 k( 405) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 Dense grid: 41095 G-vectors FFT dimensions: ( 48, 48, 36) Smooth grid: 18179 G-vectors FFT dimensions: ( 40, 40, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 130, 40) NL pseudopotentials 0.10 Mb ( 65, 98) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 1143) G-vector shells 0.00 Mb ( 556) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 130, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 98, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaO.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.0 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.8 secs Computing kpt #: 16 total cpu time spent up to now is 5.0 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.6 secs Computing kpt #: 25 total cpu time spent up to now is 6.8 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.2 secs Computing kpt #: 28 total cpu time spent up to now is 7.4 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 7.9 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.3 secs Computing kpt #: 33 total cpu time spent up to now is 8.5 secs Computing kpt #: 34 total cpu time spent up to now is 8.8 secs Computing kpt #: 35 total cpu time spent up to now is 9.0 secs Computing kpt #: 36 total cpu time spent up to now is 9.3 secs Computing kpt #: 37 total cpu time spent up to now is 9.5 secs Computing kpt #: 38 total cpu time spent up to now is 9.7 secs Computing kpt #: 39 total cpu time spent up to now is 10.0 secs Computing kpt #: 40 total cpu time spent up to now is 10.2 secs Computing kpt #: 41 total cpu time spent up to now is 10.4 secs Computing kpt #: 42 total cpu time spent up to now is 10.7 secs Computing kpt #: 43 total cpu time spent up to now is 10.9 secs Computing kpt #: 44 total cpu time spent up to now is 11.1 secs Computing kpt #: 45 total cpu time spent up to now is 11.3 secs Computing kpt #: 46 total cpu time spent up to now is 11.5 secs Computing kpt #: 47 total cpu time spent up to now is 11.7 secs Computing kpt #: 48 total cpu time spent up to now is 12.0 secs Computing kpt #: 49 total cpu time spent up to now is 12.2 secs Computing kpt #: 50 total cpu time spent up to now is 12.4 secs Computing kpt #: 51 total cpu time spent up to now is 12.6 secs Computing kpt #: 52 total cpu time spent up to now is 12.8 secs Computing kpt #: 53 total cpu time spent up to now is 13.1 secs Computing kpt #: 54 total cpu time spent up to now is 13.3 secs Computing kpt #: 55 total cpu time spent up to now is 13.5 secs Computing kpt #: 56 total cpu time spent up to now is 13.7 secs Computing kpt #: 57 total cpu time spent up to now is 13.9 secs Computing kpt #: 58 total cpu time spent up to now is 14.2 secs Computing kpt #: 59 total cpu time spent up to now is 14.4 secs Computing kpt #: 60 total cpu time spent up to now is 14.6 secs Computing kpt #: 61 total cpu time spent up to now is 14.8 secs Computing kpt #: 62 total cpu time spent up to now is 15.1 secs Computing kpt #: 63 total cpu time spent up to now is 15.3 secs Computing kpt #: 64 total cpu time spent up to now is 15.5 secs Computing kpt #: 65 total cpu time spent up to now is 15.7 secs Computing kpt #: 66 total cpu time spent up to now is 16.0 secs Computing kpt #: 67 total cpu time spent up to now is 16.2 secs Computing kpt #: 68 total cpu time spent up to now is 16.4 secs Computing kpt #: 69 total cpu time spent up to now is 16.6 secs Computing kpt #: 70 total cpu time spent up to now is 16.8 secs Computing kpt #: 71 total cpu time spent up to now is 17.1 secs Computing kpt #: 72 total cpu time spent up to now is 17.4 secs Computing kpt #: 73 total cpu time spent up to now is 17.7 secs Computing kpt #: 74 total cpu time spent up to now is 18.0 secs Computing kpt #: 75 total cpu time spent up to now is 18.3 secs Computing kpt #: 76 total cpu time spent up to now is 18.6 secs Computing kpt #: 77 total cpu time spent up to now is 18.9 secs Computing kpt #: 78 total cpu time spent up to now is 19.1 secs Computing kpt #: 79 total cpu time spent up to now is 19.3 secs Computing kpt #: 80 total cpu time spent up to now is 19.5 secs Computing kpt #: 81 total cpu time spent up to now is 19.8 secs Computing kpt #: 82 total cpu time spent up to now is 20.0 secs Computing kpt #: 83 total cpu time spent up to now is 20.2 secs Computing kpt #: 84 total cpu time spent up to now is 20.4 secs Computing kpt #: 85 total cpu time spent up to now is 20.7 secs Computing kpt #: 86 total cpu time spent up to now is 20.9 secs Computing kpt #: 87 total cpu time spent up to now is 21.1 secs Computing kpt #: 88 total cpu time spent up to now is 21.4 secs Computing kpt #: 89 total cpu time spent up to now is 21.6 secs Computing kpt #: 90 total cpu time spent up to now is 21.8 secs Computing kpt #: 91 total cpu time spent up to now is 22.2 secs Computing kpt #: 92 total cpu time spent up to now is 22.4 secs Computing kpt #: 93 total cpu time spent up to now is 22.7 secs Computing kpt #: 94 total cpu time spent up to now is 22.9 secs Computing kpt #: 95 total cpu time spent up to now is 23.2 secs Computing kpt #: 96 total cpu time spent up to now is 23.4 secs Computing kpt #: 97 total cpu time spent up to now is 23.7 secs Computing kpt #: 98 total cpu time spent up to now is 23.9 secs Computing kpt #: 99 total cpu time spent up to now is 24.1 secs Computing kpt #: 100 total cpu time spent up to now is 24.3 secs Computing kpt #: 101 total cpu time spent up to now is 24.6 secs Computing kpt #: 102 total cpu time spent up to now is 24.8 secs Computing kpt #: 103 total cpu time spent up to now is 25.0 secs Computing kpt #: 104 total cpu time spent up to now is 25.2 secs Computing kpt #: 105 total cpu time spent up to now is 25.4 secs Computing kpt #: 106 total cpu time spent up to now is 25.6 secs Computing kpt #: 107 total cpu time spent up to now is 25.8 secs Computing kpt #: 108 total cpu time spent up to now is 26.1 secs Computing kpt #: 109 total cpu time spent up to now is 26.3 secs Computing kpt #: 110 total cpu time spent up to now is 26.5 secs Computing kpt #: 111 total cpu time spent up to now is 26.7 secs Computing kpt #: 112 total cpu time spent up to now is 26.9 secs Computing kpt #: 113 total cpu time spent up to now is 27.1 secs Computing kpt #: 114 total cpu time spent up to now is 27.3 secs Computing kpt #: 115 total cpu time spent up to now is 27.5 secs Computing kpt #: 116 total cpu time spent up to now is 27.7 secs Computing kpt #: 117 total cpu time spent up to now is 27.9 secs Computing kpt #: 118 total cpu time spent up to now is 28.1 secs Computing kpt #: 119 total cpu time spent up to now is 28.3 secs Computing kpt #: 120 total cpu time spent up to now is 28.5 secs Computing kpt #: 121 total cpu time spent up to now is 28.7 secs Computing kpt #: 122 total cpu time spent up to now is 28.9 secs Computing kpt #: 123 total cpu time spent up to now is 29.2 secs Computing kpt #: 124 total cpu time spent up to now is 29.4 secs Computing kpt #: 125 total cpu time spent up to now is 29.6 secs Computing kpt #: 126 total cpu time spent up to now is 29.8 secs Computing kpt #: 127 total cpu time spent up to now is 30.0 secs Computing kpt #: 128 total cpu time spent up to now is 30.2 secs Computing kpt #: 129 total cpu time spent up to now is 30.5 secs Computing kpt #: 130 total cpu time spent up to now is 30.7 secs Computing kpt #: 131 total cpu time spent up to now is 30.9 secs Computing kpt #: 132 total cpu time spent up to now is 31.1 secs Computing kpt #: 133 total cpu time spent up to now is 31.3 secs Computing kpt #: 134 total cpu time spent up to now is 31.6 secs Computing kpt #: 135 total cpu time spent up to now is 31.8 secs Computing kpt #: 136 total cpu time spent up to now is 32.0 secs Computing kpt #: 137 total cpu time spent up to now is 32.2 secs Computing kpt #: 138 total cpu time spent up to now is 32.4 secs Computing kpt #: 139 total cpu time spent up to now is 32.7 secs Computing kpt #: 140 total cpu time spent up to now is 32.9 secs Computing kpt #: 141 total cpu time spent up to now is 33.1 secs Computing kpt #: 142 total cpu time spent up to now is 33.3 secs Computing kpt #: 143 total cpu time spent up to now is 33.6 secs Computing kpt #: 144 total cpu time spent up to now is 33.8 secs Computing kpt #: 145 total cpu time spent up to now is 34.0 secs Computing kpt #: 146 total cpu time spent up to now is 34.2 secs Computing kpt #: 147 total cpu time spent up to now is 34.4 secs Computing kpt #: 148 total cpu time spent up to now is 34.7 secs Computing kpt #: 149 total cpu time spent up to now is 34.9 secs Computing kpt #: 150 total cpu time spent up to now is 35.2 secs Computing kpt #: 151 total cpu time spent up to now is 35.4 secs Computing kpt #: 152 total cpu time spent up to now is 35.7 secs Computing kpt #: 153 total cpu time spent up to now is 35.9 secs Computing kpt #: 154 total cpu time spent up to now is 36.2 secs Computing kpt #: 155 total cpu time spent up to now is 36.5 secs Computing kpt #: 156 total cpu time spent up to now is 36.8 secs Computing kpt #: 157 total cpu time spent up to now is 37.0 secs Computing kpt #: 158 total cpu time spent up to now is 37.3 secs Computing kpt #: 159 total cpu time spent up to now is 37.6 secs Computing kpt #: 160 total cpu time spent up to now is 37.9 secs Computing kpt #: 161 total cpu time spent up to now is 38.2 secs Computing kpt #: 162 total cpu time spent up to now is 38.4 secs Computing kpt #: 163 total cpu time spent up to now is 38.7 secs Computing kpt #: 164 total cpu time spent up to now is 38.9 secs Computing kpt #: 165 total cpu time spent up to now is 39.2 secs Computing kpt #: 166 total cpu time spent up to now is 39.4 secs Computing kpt #: 167 total cpu time spent up to now is 39.7 secs Computing kpt #: 168 total cpu time spent up to now is 40.0 secs Computing kpt #: 169 total cpu time spent up to now is 40.2 secs Computing kpt #: 170 total cpu time spent up to now is 40.5 secs Computing kpt #: 171 total cpu time spent up to now is 40.8 secs Computing kpt #: 172 total cpu time spent up to now is 41.0 secs Computing kpt #: 173 total cpu time spent up to now is 41.3 secs Computing kpt #: 174 total cpu time spent up to now is 41.5 secs Computing kpt #: 175 total cpu time spent up to now is 41.8 secs Computing kpt #: 176 total cpu time spent up to now is 42.1 secs Computing kpt #: 177 total cpu time spent up to now is 42.3 secs Computing kpt #: 178 total cpu time spent up to now is 42.6 secs Computing kpt #: 179 total cpu time spent up to now is 42.9 secs Computing kpt #: 180 total cpu time spent up to now is 43.2 secs Computing kpt #: 181 total cpu time spent up to now is 43.4 secs Computing kpt #: 182 total cpu time spent up to now is 43.7 secs Computing kpt #: 183 total cpu time spent up to now is 43.9 secs Computing kpt #: 184 total cpu time spent up to now is 44.2 secs Computing kpt #: 185 total cpu time spent up to now is 44.5 secs Computing kpt #: 186 total cpu time spent up to now is 44.7 secs Computing kpt #: 187 total cpu time spent up to now is 45.0 secs Computing kpt #: 188 total cpu time spent up to now is 45.2 secs Computing kpt #: 189 total cpu time spent up to now is 45.5 secs Computing kpt #: 190 total cpu time spent up to now is 45.7 secs Computing kpt #: 191 total cpu time spent up to now is 46.0 secs Computing kpt #: 192 total cpu time spent up to now is 46.2 secs Computing kpt #: 193 total cpu time spent up to now is 46.4 secs Computing kpt #: 194 total cpu time spent up to now is 46.7 secs Computing kpt #: 195 total cpu time spent up to now is 46.9 secs Computing kpt #: 196 total cpu time spent up to now is 47.1 secs Computing kpt #: 197 total cpu time spent up to now is 47.4 secs Computing kpt #: 198 total cpu time spent up to now is 47.6 secs Computing kpt #: 199 total cpu time spent up to now is 47.9 secs Computing kpt #: 200 total cpu time spent up to now is 48.1 secs Computing kpt #: 201 total cpu time spent up to now is 48.3 secs Computing kpt #: 202 total cpu time spent up to now is 48.6 secs Computing kpt #: 203 total cpu time spent up to now is 48.8 secs Computing kpt #: 204 total cpu time spent up to now is 49.0 secs Computing kpt #: 205 total cpu time spent up to now is 49.2 secs Computing kpt #: 206 total cpu time spent up to now is 49.4 secs Computing kpt #: 207 total cpu time spent up to now is 49.6 secs Computing kpt #: 208 total cpu time spent up to now is 49.9 secs Computing kpt #: 209 total cpu time spent up to now is 50.1 secs Computing kpt #: 210 total cpu time spent up to now is 50.3 secs Computing kpt #: 211 total cpu time spent up to now is 50.5 secs Computing kpt #: 212 total cpu time spent up to now is 50.7 secs Computing kpt #: 213 total cpu time spent up to now is 50.9 secs Computing kpt #: 214 total cpu time spent up to now is 51.1 secs Computing kpt #: 215 total cpu time spent up to now is 51.3 secs Computing kpt #: 216 total cpu time spent up to now is 51.6 secs Computing kpt #: 217 total cpu time spent up to now is 51.8 secs Computing kpt #: 218 total cpu time spent up to now is 52.0 secs Computing kpt #: 219 total cpu time spent up to now is 52.2 secs Computing kpt #: 220 total cpu time spent up to now is 52.4 secs Computing kpt #: 221 total cpu time spent up to now is 52.6 secs Computing kpt #: 222 total cpu time spent up to now is 52.8 secs Computing kpt #: 223 total cpu time spent up to now is 53.1 secs Computing kpt #: 224 total cpu time spent up to now is 53.3 secs Computing kpt #: 225 total cpu time spent up to now is 53.5 secs Computing kpt #: 226 total cpu time spent up to now is 53.7 secs Computing kpt #: 227 total cpu time spent up to now is 53.9 secs Computing kpt #: 228 total cpu time spent up to now is 54.2 secs Computing kpt #: 229 total cpu time spent up to now is 54.4 secs Computing kpt #: 230 total cpu time spent up to now is 54.6 secs Computing kpt #: 231 total cpu time spent up to now is 54.8 secs Computing kpt #: 232 total cpu time spent up to now is 55.0 secs Computing kpt #: 233 total cpu time spent up to now is 55.3 secs Computing kpt #: 234 total cpu time spent up to now is 55.5 secs Computing kpt #: 235 total cpu time spent up to now is 55.7 secs Computing kpt #: 236 total cpu time spent up to now is 55.9 secs Computing kpt #: 237 total cpu time spent up to now is 56.2 secs Computing kpt #: 238 total cpu time spent up to now is 56.4 secs Computing kpt #: 239 total cpu time spent up to now is 56.6 secs Computing kpt #: 240 total cpu time spent up to now is 56.8 secs Computing kpt #: 241 total cpu time spent up to now is 57.0 secs Computing kpt #: 242 total cpu time spent up to now is 57.3 secs Computing kpt #: 243 total cpu time spent up to now is 57.5 secs Computing kpt #: 244 total cpu time spent up to now is 57.7 secs Computing kpt #: 245 total cpu time spent up to now is 57.9 secs Computing kpt #: 246 total cpu time spent up to now is 58.2 secs Computing kpt #: 247 total cpu time spent up to now is 58.4 secs Computing kpt #: 248 total cpu time spent up to now is 58.6 secs Computing kpt #: 249 total cpu time spent up to now is 58.8 secs Computing kpt #: 250 total cpu time spent up to now is 59.0 secs Computing kpt #: 251 total cpu time spent up to now is 59.2 secs Computing kpt #: 252 total cpu time spent up to now is 59.4 secs Computing kpt #: 253 total cpu time spent up to now is 59.6 secs Computing kpt #: 254 total cpu time spent up to now is 59.8 secs Computing kpt #: 255 total cpu time spent up to now is 60.0 secs Computing kpt #: 256 total cpu time spent up to now is 60.2 secs Computing kpt #: 257 total cpu time spent up to now is 60.4 secs Computing kpt #: 258 total cpu time spent up to now is 60.6 secs Computing kpt #: 259 total cpu time spent up to now is 60.9 secs Computing kpt #: 260 total cpu time spent up to now is 61.1 secs Computing kpt #: 261 total cpu time spent up to now is 61.3 secs Computing kpt #: 262 total cpu time spent up to now is 61.5 secs Computing kpt #: 263 total cpu time spent up to now is 61.7 secs Computing kpt #: 264 total cpu time spent up to now is 62.0 secs Computing kpt #: 265 total cpu time spent up to now is 62.2 secs Computing kpt #: 266 total cpu time spent up to now is 62.4 secs Computing kpt #: 267 total cpu time spent up to now is 62.7 secs Computing kpt #: 268 total cpu time spent up to now is 62.9 secs Computing kpt #: 269 total cpu time spent up to now is 63.2 secs Computing kpt #: 270 total cpu time spent up to now is 63.4 secs Computing kpt #: 271 total cpu time spent up to now is 63.6 secs Computing kpt #: 272 total cpu time spent up to now is 63.8 secs Computing kpt #: 273 total cpu time spent up to now is 64.1 secs Computing kpt #: 274 total cpu time spent up to now is 64.3 secs Computing kpt #: 275 total cpu time spent up to now is 64.5 secs Computing kpt #: 276 total cpu time spent up to now is 64.7 secs Computing kpt #: 277 total cpu time spent up to now is 65.0 secs Computing kpt #: 278 total cpu time spent up to now is 65.2 secs Computing kpt #: 279 total cpu time spent up to now is 65.4 secs Computing kpt #: 280 total cpu time spent up to now is 65.7 secs Computing kpt #: 281 total cpu time spent up to now is 65.9 secs Computing kpt #: 282 total cpu time spent up to now is 66.1 secs Computing kpt #: 283 total cpu time spent up to now is 66.4 secs Computing kpt #: 284 total cpu time spent up to now is 66.6 secs Computing kpt #: 285 total cpu time spent up to now is 66.8 secs Computing kpt #: 286 total cpu time spent up to now is 67.1 secs Computing kpt #: 287 total cpu time spent up to now is 67.3 secs Computing kpt #: 288 total cpu time spent up to now is 67.5 secs Computing kpt #: 289 total cpu time spent up to now is 67.7 secs Computing kpt #: 290 total cpu time spent up to now is 68.0 secs Computing kpt #: 291 total cpu time spent up to now is 68.2 secs Computing kpt #: 292 total cpu time spent up to now is 68.4 secs Computing kpt #: 293 total cpu time spent up to now is 68.7 secs Computing kpt #: 294 total cpu time spent up to now is 68.9 secs Computing kpt #: 295 total cpu time spent up to now is 69.2 secs Computing kpt #: 296 total cpu time spent up to now is 69.4 secs Computing kpt #: 297 total cpu time spent up to now is 69.7 secs Computing kpt #: 298 total cpu time spent up to now is 70.1 secs Computing kpt #: 299 total cpu time spent up to now is 70.3 secs Computing kpt #: 300 total cpu time spent up to now is 70.6 secs Computing kpt #: 301 total cpu time spent up to now is 70.8 secs Computing kpt #: 302 total cpu time spent up to now is 71.1 secs Computing kpt #: 303 total cpu time spent up to now is 71.3 secs Computing kpt #: 304 total cpu time spent up to now is 71.5 secs Computing kpt #: 305 total cpu time spent up to now is 71.8 secs Computing kpt #: 306 total cpu time spent up to now is 72.0 secs Computing kpt #: 307 total cpu time spent up to now is 72.2 secs Computing kpt #: 308 total cpu time spent up to now is 72.5 secs Computing kpt #: 309 total cpu time spent up to now is 72.7 secs Computing kpt #: 310 total cpu time spent up to now is 72.9 secs Computing kpt #: 311 total cpu time spent up to now is 73.2 secs Computing kpt #: 312 total cpu time spent up to now is 73.4 secs Computing kpt #: 313 total cpu time spent up to now is 73.6 secs Computing kpt #: 314 total cpu time spent up to now is 73.8 secs Computing kpt #: 315 total cpu time spent up to now is 74.1 secs Computing kpt #: 316 total cpu time spent up to now is 74.3 secs Computing kpt #: 317 total cpu time spent up to now is 74.5 secs Computing kpt #: 318 total cpu time spent up to now is 74.7 secs Computing kpt #: 319 total cpu time spent up to now is 75.0 secs Computing kpt #: 320 total cpu time spent up to now is 75.2 secs Computing kpt #: 321 total cpu time spent up to now is 75.4 secs Computing kpt #: 322 total cpu time spent up to now is 75.6 secs Computing kpt #: 323 total cpu time spent up to now is 75.8 secs Computing kpt #: 324 total cpu time spent up to now is 76.1 secs Computing kpt #: 325 total cpu time spent up to now is 76.3 secs Computing kpt #: 326 total cpu time spent up to now is 76.5 secs Computing kpt #: 327 total cpu time spent up to now is 76.7 secs Computing kpt #: 328 total cpu time spent up to now is 76.9 secs Computing kpt #: 329 total cpu time spent up to now is 77.1 secs Computing kpt #: 330 total cpu time spent up to now is 77.3 secs Computing kpt #: 331 total cpu time spent up to now is 77.6 secs Computing kpt #: 332 total cpu time spent up to now is 77.8 secs Computing kpt #: 333 total cpu time spent up to now is 78.0 secs Computing kpt #: 334 total cpu time spent up to now is 78.2 secs Computing kpt #: 335 total cpu time spent up to now is 78.4 secs Computing kpt #: 336 total cpu time spent up to now is 78.6 secs Computing kpt #: 337 total cpu time spent up to now is 78.8 secs Computing kpt #: 338 total cpu time spent up to now is 79.1 secs Computing kpt #: 339 total cpu time spent up to now is 79.3 secs Computing kpt #: 340 total cpu time spent up to now is 79.5 secs Computing kpt #: 341 total cpu time spent up to now is 79.7 secs Computing kpt #: 342 total cpu time spent up to now is 79.9 secs Computing kpt #: 343 total cpu time spent up to now is 80.1 secs Computing kpt #: 344 total cpu time spent up to now is 80.3 secs Computing kpt #: 345 total cpu time spent up to now is 80.5 secs Computing kpt #: 346 total cpu time spent up to now is 80.8 secs Computing kpt #: 347 total cpu time spent up to now is 81.0 secs Computing kpt #: 348 total cpu time spent up to now is 81.2 secs Computing kpt #: 349 total cpu time spent up to now is 81.4 secs Computing kpt #: 350 total cpu time spent up to now is 81.6 secs Computing kpt #: 351 total cpu time spent up to now is 81.8 secs Computing kpt #: 352 total cpu time spent up to now is 82.0 secs Computing kpt #: 353 total cpu time spent up to now is 82.2 secs Computing kpt #: 354 total cpu time spent up to now is 82.5 secs Computing kpt #: 355 total cpu time spent up to now is 82.7 secs Computing kpt #: 356 total cpu time spent up to now is 82.9 secs Computing kpt #: 357 total cpu time spent up to now is 83.1 secs Computing kpt #: 358 total cpu time spent up to now is 83.3 secs Computing kpt #: 359 total cpu time spent up to now is 83.5 secs Computing kpt #: 360 total cpu time spent up to now is 83.8 secs Computing kpt #: 361 total cpu time spent up to now is 84.0 secs Computing kpt #: 362 total cpu time spent up to now is 84.2 secs Computing kpt #: 363 total cpu time spent up to now is 84.4 secs Computing kpt #: 364 total cpu time spent up to now is 84.6 secs Computing kpt #: 365 total cpu time spent up to now is 84.9 secs Computing kpt #: 366 total cpu time spent up to now is 85.1 secs Computing kpt #: 367 total cpu time spent up to now is 85.3 secs Computing kpt #: 368 total cpu time spent up to now is 85.6 secs Computing kpt #: 369 total cpu time spent up to now is 85.8 secs Computing kpt #: 370 total cpu time spent up to now is 86.0 secs Computing kpt #: 371 total cpu time spent up to now is 86.3 secs Computing kpt #: 372 total cpu time spent up to now is 86.6 secs Computing kpt #: 373 total cpu time spent up to now is 86.8 secs Computing kpt #: 374 total cpu time spent up to now is 87.1 secs Computing kpt #: 375 total cpu time spent up to now is 87.3 secs Computing kpt #: 376 total cpu time spent up to now is 87.6 secs Computing kpt #: 377 total cpu time spent up to now is 87.8 secs Computing kpt #: 378 total cpu time spent up to now is 88.0 secs Computing kpt #: 379 total cpu time spent up to now is 88.3 secs Computing kpt #: 380 total cpu time spent up to now is 88.5 secs Computing kpt #: 381 total cpu time spent up to now is 88.7 secs Computing kpt #: 382 total cpu time spent up to now is 88.9 secs Computing kpt #: 383 total cpu time spent up to now is 89.2 secs Computing kpt #: 384 total cpu time spent up to now is 89.4 secs Computing kpt #: 385 total cpu time spent up to now is 89.6 secs Computing kpt #: 386 total cpu time spent up to now is 89.8 secs Computing kpt #: 387 total cpu time spent up to now is 90.0 secs Computing kpt #: 388 total cpu time spent up to now is 90.2 secs Computing kpt #: 389 total cpu time spent up to now is 90.4 secs Computing kpt #: 390 total cpu time spent up to now is 90.7 secs Computing kpt #: 391 total cpu time spent up to now is 90.9 secs Computing kpt #: 392 total cpu time spent up to now is 91.1 secs Computing kpt #: 393 total cpu time spent up to now is 91.3 secs Computing kpt #: 394 total cpu time spent up to now is 91.5 secs Computing kpt #: 395 total cpu time spent up to now is 91.7 secs Computing kpt #: 396 total cpu time spent up to now is 91.9 secs Computing kpt #: 397 total cpu time spent up to now is 92.1 secs Computing kpt #: 398 total cpu time spent up to now is 92.3 secs Computing kpt #: 399 total cpu time spent up to now is 92.5 secs Computing kpt #: 400 total cpu time spent up to now is 92.7 secs Computing kpt #: 401 total cpu time spent up to now is 93.0 secs Computing kpt #: 402 total cpu time spent up to now is 93.2 secs Computing kpt #: 403 total cpu time spent up to now is 93.4 secs Computing kpt #: 404 total cpu time spent up to now is 93.6 secs Computing kpt #: 405 total cpu time spent up to now is 93.8 secs ethr = 3.13E-08, avg # of iterations = 15.1 total cpu time spent up to now is 93.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -13.4536 -13.4536 -12.1247 -12.1247 -2.6067 -2.6067 -2.3865 -2.3865 -0.4626 -0.4626 0.7724 0.7724 1.8303 1.8303 3.9172 3.9172 4.0090 4.0090 4.1314 4.1314 12.4308 12.4308 12.4624 12.4624 12.4740 12.4740 12.6896 12.6896 13.1257 13.1257 13.2919 13.2919 15.2570 15.2570 15.8005 15.8005 17.2254 17.2254 17.7117 17.7117 k = 0.0000 0.0139-0.0000 ( 2295 PWs) bands (ev): -13.4530 -13.4530 -12.1254 -12.1254 -2.6090 -2.6090 -2.3876 -2.3876 -0.4598 -0.4598 0.7750 0.7750 1.8299 1.8299 3.9130 3.9130 4.0075 4.0075 4.1365 4.1365 12.4227 12.4227 12.4615 12.4615 12.4792 12.4792 12.6895 12.6895 13.1239 13.1239 13.2898 13.2898 15.2616 15.2616 15.8011 15.8011 17.2295 17.2295 17.7122 17.7122 k = 0.0000 0.0278-0.0000 ( 2287 PWs) bands (ev): -13.4512 -13.4512 -12.1272 -12.1272 -2.6157 -2.6157 -2.3908 -2.3908 -0.4517 -0.4517 0.7828 0.7828 1.8287 1.8287 3.9009 3.9009 4.0036 4.0036 4.1505 4.1505 12.4042 12.4042 12.4587 12.4587 12.4893 12.4893 12.6895 12.6895 13.1187 13.1187 13.2840 13.2840 15.2753 15.2753 15.8030 15.8030 17.2417 17.2417 17.7135 17.7135 k = 0.0000 0.0417-0.0000 ( 2285 PWs) bands (ev): -13.4481 -13.4481 -12.1304 -12.1304 -2.6267 -2.6267 -2.3960 -2.3960 -0.4383 -0.4383 0.7958 0.7958 1.8267 1.8267 3.8828 3.8828 3.9984 3.9984 4.1705 4.1705 12.3801 12.3801 12.4538 12.4538 12.4996 12.4996 12.6892 12.6892 13.1097 13.1097 13.2747 13.2747 15.2981 15.2981 15.8062 15.8062 17.2618 17.2618 17.7159 17.7159 k = 0.0000 0.0556-0.0000 ( 2281 PWs) bands (ev): -13.4439 -13.4439 -12.1348 -12.1348 -2.6417 -2.6417 -2.4034 -2.4034 -0.4200 -0.4200 0.8140 0.8140 1.8240 1.8240 3.8603 3.8603 3.9925 3.9925 4.1941 4.1941 12.3520 12.3520 12.4470 12.4470 12.5087 12.5087 12.6887 12.6887 13.0966 13.0966 13.2627 13.2627 15.3298 15.3298 15.8108 15.8108 17.2894 17.2894 17.7195 17.7195 k = 0.0000 0.0694-0.0000 ( 2276 PWs) bands (ev): -13.4384 -13.4384 -12.1404 -12.1404 -2.6602 -2.6602 -2.4128 -2.4128 -0.3972 -0.3972 0.8374 0.8374 1.8204 1.8204 3.8350 3.8350 3.9861 3.9861 4.2199 4.2199 12.3204 12.3204 12.4380 12.4380 12.5167 12.5167 12.6880 12.6880 13.0790 13.0790 13.2489 13.2489 15.3702 15.3702 15.8169 15.8169 17.3237 17.3237 17.7247 17.7247 k = 0.0000 0.0833-0.0000 ( 2274 PWs) bands (ev): -13.4318 -13.4318 -12.1473 -12.1473 -2.6818 -2.6818 -2.4243 -2.4243 -0.3705 -0.3705 0.8660 0.8660 1.8159 1.8159 3.8077 3.8077 3.9792 3.9792 4.2468 4.2468 12.2855 12.2855 12.4267 12.4267 12.5236 12.5236 12.6868 12.6868 13.0567 13.0567 13.2342 13.2342 15.4191 15.4191 15.8247 15.8247 17.3638 17.3638 17.7321 17.7321 k = 0.0000 0.0972-0.0000 ( 2274 PWs) bands (ev): -13.4239 -13.4239 -12.1554 -12.1554 -2.7060 -2.7060 -2.4377 -2.4377 -0.3403 -0.3403 0.8996 0.8996 1.8104 1.8104 3.7790 3.7790 3.9719 3.9719 4.2743 4.2743 12.2477 12.2477 12.4129 12.4129 12.5295 12.5295 12.6853 12.6853 13.0296 13.0296 13.2194 13.2194 15.4763 15.4763 15.8344 15.8344 17.4083 17.4083 17.7425 17.7425 k = 0.0000 0.1111-0.0000 ( 2270 PWs) bands (ev): -13.4149 -13.4149 -12.1647 -12.1647 -2.7323 -2.7323 -2.4530 -2.4530 -0.3071 -0.3071 0.9382 0.9382 1.8040 1.8040 3.7492 3.7492 3.9645 3.9645 4.3018 4.3018 12.2074 12.2074 12.3964 12.3964 12.5345 12.5345 12.6834 12.6834 12.9980 12.9980 13.2049 13.2049 15.5414 15.5414 15.8461 15.8461 17.4551 17.4551 17.7577 17.7577 k = 0.0000 0.1250-0.0000 ( 2270 PWs) bands (ev): -13.4048 -13.4048 -12.1752 -12.1752 -2.7602 -2.7602 -2.4701 -2.4701 -0.2714 -0.2714 0.9816 0.9816 1.7966 1.7966 3.7186 3.7186 3.9569 3.9569 4.3290 4.3290 12.1647 12.1647 12.3770 12.3770 12.5386 12.5386 12.6813 12.6813 12.9628 12.9628 13.1909 13.1909 15.6143 15.6143 15.8601 15.8601 17.5013 17.5013 17.7800 17.7800 k = 0.0000 0.1389-0.0000 ( 2264 PWs) bands (ev): -13.3935 -13.3935 -12.1869 -12.1869 -2.7892 -2.7892 -2.4889 -2.4889 -0.2336 -0.2336 1.0297 1.0297 1.7881 1.7881 3.6872 3.6872 3.9496 3.9496 4.3556 4.3556 12.1201 12.1201 12.3542 12.3542 12.5418 12.5418 12.6791 12.6791 12.9249 12.9249 13.1775 13.1775 15.6945 15.6945 15.8766 15.8766 17.5431 17.5431 17.8125 17.8125 k = 0.0000 0.1528-0.0000 ( 2260 PWs) bands (ev): -13.3810 -13.3810 -12.1997 -12.1997 -2.8189 -2.8189 -2.5093 -2.5093 -0.1943 -0.1943 1.0823 1.0823 1.7785 1.7785 3.6552 3.6552 3.9426 3.9426 4.3813 4.3813 12.0740 12.0740 12.3278 12.3278 12.5438 12.5438 12.6770 12.6770 12.8854 12.8854 13.1646 13.1646 15.7817 15.7817 15.8958 15.8958 17.5775 17.5775 17.8578 17.8578 k = 0.0000 0.1667-0.0000 ( 2262 PWs) bands (ev): -13.3675 -13.3675 -12.2137 -12.2137 -2.8489 -2.8489 -2.5312 -2.5312 -0.1536 -0.1536 1.1389 1.1389 1.7678 1.7678 3.6225 3.6225 3.9362 3.9362 4.4059 4.4059 12.0266 12.0266 12.2976 12.2976 12.5447 12.5447 12.6754 12.6754 12.8452 12.8452 13.1520 13.1520 15.8748 15.8748 15.9186 15.9186 17.6032 17.6032 17.9163 17.9163 k = 0.0000 0.1806-0.0000 ( 2266 PWs) bands (ev): -13.3529 -13.3529 -12.2288 -12.2288 -2.8788 -2.8788 -2.5543 -2.5543 -0.1118 -0.1118 1.1993 1.1993 1.7559 1.7559 3.5894 3.5894 3.9307 3.9307 4.4291 4.4291 11.9785 11.9785 12.2632 12.2632 12.5441 12.5441 12.6745 12.6745 12.8056 12.8056 13.1397 13.1397 15.9395 15.9395 15.9793 15.9793 17.6215 17.6215 17.9862 17.9862 k = 0.0000 0.1944-0.0000 ( 2262 PWs) bands (ev): -13.3372 -13.3372 -12.2450 -12.2450 -2.9082 -2.9082 -2.5787 -2.5787 -0.0692 -0.0692 1.2628 1.2628 1.7429 1.7429 3.5559 3.5559 3.9261 3.9261 4.4508 4.4508 11.9299 11.9299 12.2247 12.2247 12.5419 12.5419 12.6745 12.6745 12.7673 12.7673 13.1276 13.1276 15.9685 15.9685 16.0849 16.0849 17.6343 17.6343 18.0651 18.0651 k = 0.0000 0.2083-0.0000 ( 2262 PWs) bands (ev): -13.3205 -13.3205 -12.2622 -12.2622 -2.9369 -2.9369 -2.6041 -2.6041 -0.0260 -0.0260 1.3289 1.3289 1.7290 1.7290 3.5221 3.5221 3.9226 3.9226 4.4706 4.4706 11.8812 11.8812 12.1822 12.1822 12.5380 12.5380 12.6756 12.6756 12.7310 12.7310 13.1157 13.1157 15.9995 15.9995 16.1975 16.1975 17.6432 17.6432 18.1504 18.1504 k = 0.0000 0.2222-0.0000 ( 2258 PWs) bands (ev): -13.3028 -13.3028 -12.2805 -12.2805 -2.9645 -2.9645 -2.6304 -2.6304 0.0179 0.0179 1.3964 1.3964 1.7149 1.7149 3.4879 3.4879 3.9205 3.9205 4.4883 4.4883 11.8327 11.8327 12.1359 12.1359 12.5324 12.5324 12.6780 12.6780 12.6972 12.6972 13.1038 13.1038 16.0336 16.0336 16.3159 16.3159 17.6491 17.6491 18.2407 18.2407 k = 0.0000 0.2361-0.0000 ( 2258 PWs) bands (ev): -13.2841 -13.2841 -12.2998 -12.2998 -2.9910 -2.9910 -2.6574 -2.6574 0.0623 0.0623 1.4635 1.4635 1.7019 1.7019 3.4537 3.4537 3.9199 3.9199 4.5039 4.5039 11.7848 11.7848 12.0864 12.0864 12.5252 12.5252 12.6659 12.6659 12.6816 12.6816 13.0920 13.0920 16.0708 16.0708 16.4395 16.4395 17.6528 17.6528 18.3347 18.3347 k = 0.0000 0.2500-0.0000 ( 2256 PWs) bands (ev): -13.2645 -13.2645 -12.3200 -12.3200 -3.0159 -3.0159 -2.6851 -2.6851 0.1071 0.1071 1.5248 1.5248 1.6947 1.6947 3.4194 3.4194 3.9208 3.9208 4.5170 4.5170 11.7378 11.7378 12.0342 12.0342 12.5165 12.5165 12.6373 12.6373 12.6864 12.6864 13.0801 13.0801 16.1112 16.1112 16.5683 16.5683 17.6543 17.6543 18.4313 18.4313 k = 0.0000 0.2639-0.0000 ( 2254 PWs) bands (ev): -13.2439 -13.2439 -12.3412 -12.3412 -3.0393 -3.0393 -2.7131 -2.7131 0.1524 0.1524 1.5666 1.5666 1.7066 1.7066 3.3850 3.3850 3.9235 3.9235 4.5274 4.5274 11.6919 11.6919 11.9801 11.9801 12.5067 12.5067 12.6112 12.6112 12.6922 12.6922 13.0683 13.0683 16.1547 16.1547 16.7017 16.7017 17.6538 17.6538 18.5300 18.5300 k = 0.0000 0.2778-0.0000 ( 2256 PWs) bands (ev): -13.2225 -13.2225 -12.3632 -12.3632 -3.0609 -3.0609 -2.7415 -2.7415 0.1982 0.1982 1.5750 1.5750 1.7510 1.7510 3.3508 3.3508 3.9279 3.9279 4.5351 4.5351 11.6475 11.6475 11.9248 11.9248 12.4959 12.4959 12.5875 12.5875 12.6988 12.6988 13.0566 13.0566 16.2012 16.2012 16.8395 16.8395 17.6512 17.6512 18.6300 18.6300 k = 0.0000 0.2917-0.0000 ( 2256 PWs) bands (ev): -13.2002 -13.2002 -12.3861 -12.3861 -3.0806 -3.0806 -2.7700 -2.7700 0.2444 0.2444 1.5616 1.5616 1.8158 1.8158 3.3168 3.3168 3.9343 3.9343 4.5399 4.5399 11.6049 11.6049 11.8692 11.8692 12.4845 12.4845 12.5659 12.5659 12.7063 12.7063 13.0447 13.0447 16.2507 16.2507 16.9815 16.9815 17.6463 17.6463 18.7310 18.7310 k = 0.0000 0.3056-0.0000 ( 2260 PWs) bands (ev): -13.1772 -13.1772 -12.4098 -12.4098 -3.0983 -3.0983 -2.7985 -2.7985 0.2910 0.2910 1.5390 1.5390 1.8879 1.8879 3.2829 3.2829 3.9427 3.9427 4.5416 4.5416 11.5642 11.5642 11.8138 11.8138 12.4727 12.4727 12.5461 12.5461 12.7144 12.7144 13.0329 13.0329 16.3030 16.3030 17.1273 17.1273 17.6390 17.6390 18.8326 18.8326 k = 0.0000 0.3194-0.0000 ( 2260 PWs) bands (ev): -13.1534 -13.1534 -12.4342 -12.4342 -3.1139 -3.1139 -2.8268 -2.8268 0.3380 0.3380 1.5116 1.5116 1.9623 1.9623 3.2492 3.2492 3.9532 3.9532 4.5402 4.5402 11.5257 11.5257 11.7593 11.7593 12.4610 12.4610 12.5279 12.5279 12.7231 12.7231 13.0211 13.0211 16.3578 16.3578 17.2764 17.2764 17.6291 17.6291 18.9345 18.9345 k = 0.0000 0.3333-0.0000 ( 2260 PWs) bands (ev): -13.1288 -13.1288 -12.4594 -12.4594 -3.1274 -3.1274 -2.8548 -2.8548 0.3855 0.3855 1.4809 1.4809 2.0373 2.0373 3.2157 3.2157 3.9658 3.9658 4.5356 4.5356 11.4897 11.4897 11.7062 11.7062 12.4495 12.4495 12.5110 12.5110 12.7324 12.7324 13.0092 13.0092 16.4150 16.4150 17.4283 17.4283 17.6168 17.6168 19.0365 19.0365 k = 0.0000 0.3472-0.0000 ( 2260 PWs) bands (ev): -13.1036 -13.1036 -12.4852 -12.4852 -3.1387 -3.1387 -2.8823 -2.8823 0.4333 0.4333 1.4476 1.4476 2.1116 2.1116 3.1823 3.1823 3.9806 3.9806 4.5279 4.5279 11.4564 11.4564 11.6552 11.6552 12.4385 12.4385 12.4954 12.4954 12.7420 12.7420 12.9973 12.9973 16.4744 16.4744 17.5727 17.5727 17.6117 17.6117 19.1384 19.1384 k = 0.0000 0.3611-0.0000 ( 2260 PWs) bands (ev): -13.0778 -13.0778 -12.5116 -12.5116 -3.1478 -3.1478 -2.9093 -2.9093 0.4816 0.4816 1.4122 1.4122 2.1846 2.1846 3.1489 3.1489 3.9977 3.9977 4.5169 4.5169 11.4259 11.4259 11.6066 11.6066 12.4282 12.4282 12.4808 12.4808 12.7521 12.7521 12.9853 12.9853 16.5356 16.5356 17.5764 17.5764 17.7464 17.7464 19.2402 19.2402 k = 0.0000 0.3750-0.0000 ( 2262 PWs) bands (ev): -13.0514 -13.0514 -12.5385 -12.5385 -3.1546 -3.1546 -2.9355 -2.9355 0.5302 0.5302 1.3747 1.3747 2.2559 2.2559 3.1154 3.1154 4.0170 4.0170 4.5028 4.5028 11.3985 11.3985 11.5608 11.5608 12.4189 12.4189 12.4672 12.4672 12.7624 12.7624 12.9733 12.9733 16.5983 16.5983 17.5538 17.5538 17.9062 17.9062 19.3418 19.3418 k = 0.0000 0.3889-0.0000 ( 2266 PWs) bands (ev): -13.0245 -13.0245 -12.5659 -12.5659 -3.1592 -3.1592 -2.9608 -2.9608 0.5792 0.5792 1.3354 1.3354 2.3249 2.3249 3.0817 3.0817 4.0384 4.0384 4.4858 4.4858 11.3743 11.3743 11.5182 11.5182 12.4107 12.4107 12.4545 12.4545 12.7731 12.7731 12.9613 12.9613 16.6621 16.6621 17.5266 17.5266 18.0689 18.0689 19.4432 19.4432 k = 0.0000 0.4028-0.0000 ( 2262 PWs) bands (ev): -12.9970 -12.9970 -12.5938 -12.5938 -3.1615 -3.1615 -2.9851 -2.9851 0.6284 0.6284 1.2944 1.2944 2.3915 2.3915 3.0475 3.0475 4.0620 4.0620 4.4659 4.4659 11.3535 11.3535 11.4790 11.4790 12.4036 12.4036 12.4429 12.4429 12.7840 12.7840 12.9493 12.9493 16.7269 16.7269 17.4952 17.4952 18.2336 18.2336 19.5445 19.5445 k = 0.0000 0.4167-0.0000 ( 2262 PWs) bands (ev): -12.9692 -12.9692 -12.6221 -12.6221 -3.1616 -3.1616 -3.0084 -3.0084 0.6778 0.6778 1.2519 1.2519 2.4553 2.4553 3.0127 3.0127 4.0875 4.0875 4.4433 4.4433 11.3363 11.3363 11.4435 11.4435 12.3978 12.3978 12.4322 12.4322 12.7951 12.7951 12.9373 12.9373 16.7920 16.7920 17.4597 17.4597 18.3999 18.3999 19.6457 19.6457 k = 0.0000 0.4306-0.0000 ( 2266 PWs) bands (ev): -12.9410 -12.9410 -12.6506 -12.6506 -3.1595 -3.1595 -3.0304 -3.0303 0.7273 0.7273 1.2081 1.2081 2.5162 2.5162 2.9771 2.9771 4.1149 4.1149 4.4184 4.4184 11.3229 11.3229 11.4118 11.4118 12.3933 12.3933 12.4226 12.4226 12.8065 12.8065 12.9252 12.9252 16.8572 16.8572 17.4203 17.4203 18.5675 18.5675 19.7467 19.7467 k = 0.0000 0.4444-0.0000 ( 2264 PWs) bands (ev): -12.9124 -12.9124 -12.6794 -12.6794 -3.1553 -3.1553 -3.0510 -3.0510 0.7770 0.7770 1.1631 1.1631 2.5741 2.5741 2.9403 2.9403 4.1438 4.1438 4.3913 4.3913 11.3132 11.3132 11.3841 11.3841 12.3902 12.3902 12.4140 12.4140 12.8180 12.8180 12.9132 12.9132 16.9220 16.9220 17.3769 17.3769 18.7362 18.7362 19.8471 19.8471 k = 0.0000 0.4583-0.0000 ( 2270 PWs) bands (ev): -12.8836 -12.8836 -12.7085 -12.7085 -3.1489 -3.1489 -3.0701 -3.0701 0.8265 0.8265 1.1170 1.1170 2.6290 2.6290 2.9021 2.9021 4.1740 4.1740 4.3625 4.3625 11.3075 11.3075 11.3606 11.3606 12.3884 12.3884 12.4065 12.4065 12.8296 12.8296 12.9011 12.9011 16.9861 16.9861 17.3299 17.3299 18.9055 18.9055 19.9118 19.9118 k = 0.0000 0.4722-0.0000 ( 2270 PWs) bands (ev): -12.8546 -12.8546 -12.7377 -12.7377 -3.1405 -3.1405 -3.0877 -3.0877 0.8760 0.8760 1.0701 1.0701 2.6809 2.6809 2.8623 2.8623 4.2052 4.2052 4.3322 4.3322 11.3059 11.3059 11.3412 11.3412 12.3881 12.3881 12.4003 12.4003 12.8413 12.8413 12.8891 12.8891 17.0488 17.0488 17.2793 17.2793 19.0753 19.0753 19.7533 19.7533 k = 0.0000 0.4861-0.0000 ( 2270 PWs) bands (ev): -12.8255 -12.8255 -12.7669 -12.7669 -3.1301 -3.1301 -3.1037 -3.1037 0.9252 0.9252 1.0224 1.0224 2.7300 2.7300 2.8205 2.8205 4.2371 4.2371 4.3010 4.3010 11.3084 11.3084 11.3260 11.3260 12.3891 12.3891 12.3953 12.3953 12.8532 12.8532 12.8770 12.8770 17.1100 17.1100 17.2256 17.2256 19.2454 19.2454 19.5847 19.5847 k = 0.0000 0.5000-0.0000 ( 2266 PWs) bands (ev): -12.7962 -12.7962 -12.7962 -12.7962 -3.1178 -3.1178 -3.1178 -3.1178 0.9740 0.9740 0.9740 0.9740 2.7765 2.7765 2.7765 2.7765 4.2691 4.2691 4.2691 4.2691 11.3151 11.3151 11.3151 11.3151 12.3915 12.3915 12.3915 12.3915 12.8651 12.8651 12.8651 12.8651 17.1690 17.1690 17.1690 17.1690 19.4153 19.4153 19.4153 19.4153 k = 0.0000 0.5000-0.0000 ( 2266 PWs) bands (ev): -12.7962 -12.7962 -12.7962 -12.7962 -3.1178 -3.1178 -3.1178 -3.1178 0.9740 0.9740 0.9740 0.9740 2.7765 2.7765 2.7765 2.7765 4.2691 4.2691 4.2691 4.2691 11.3151 11.3151 11.3151 11.3151 12.3915 12.3915 12.3915 12.3915 12.8651 12.8651 12.8651 12.8651 17.1690 17.1690 17.1690 17.1690 19.4153 19.4153 19.4153 19.4153 k = 0.0139 0.5000-0.0000 ( 2266 PWs) bands (ev): -12.7961 -12.7961 -12.7961 -12.7961 -3.1208 -3.1208 -3.1188 -3.1188 0.9676 0.9676 0.9845 0.9845 2.7654 2.7654 2.7904 2.7904 4.2646 4.2646 4.2734 4.2734 11.3148 11.3148 11.3157 11.3157 12.3868 12.3868 12.3938 12.3938 12.8606 12.8606 12.8646 12.8646 17.1677 17.1677 17.1690 17.1690 19.4109 19.4109 19.4211 19.4211 k = 0.0278 0.5000-0.0000 ( 2270 PWs) bands (ev): -12.7956 -12.7956 -12.7956 -12.7956 -3.1276 -3.1276 -3.1238 -3.1238 0.9653 0.9653 0.9989 0.9989 2.7570 2.7570 2.8071 2.8071 4.2599 4.2599 4.2774 4.2774 11.3147 11.3147 11.3166 11.3166 12.3794 12.3794 12.3934 12.3934 12.8512 12.8512 12.8592 12.8592 17.1651 17.1651 17.1676 17.1676 19.4082 19.4082 19.4285 19.4285 k = 0.0417 0.5000-0.0000 ( 2270 PWs) bands (ev): -12.7949 -12.7949 -12.7949 -12.7949 -3.1383 -3.1383 -3.1327 -3.1327 0.9670 0.9670 1.0172 1.0172 2.7515 2.7515 2.8265 2.8265 4.2549 4.2549 4.2812 4.2812 11.3148 11.3148 11.3177 11.3177 12.3694 12.3694 12.3906 12.3906 12.8370 12.8370 12.8492 12.8492 17.1610 17.1610 17.1648 17.1648 19.4075 19.4075 19.4374 19.4374 k = 0.0556 0.5000-0.0000 ( 2268 PWs) bands (ev): -12.7939 -12.7939 -12.7939 -12.7939 -3.1527 -3.1527 -3.1453 -3.1453 0.9726 0.9726 1.0391 1.0391 2.7488 2.7488 2.8486 2.8486 4.2497 4.2497 4.2849 4.2849 11.3151 11.3151 11.3191 11.3191 12.3569 12.3569 12.3852 12.3852 12.8181 12.8181 12.8348 12.8348 17.1555 17.1555 17.1605 17.1605 19.4094 19.4094 19.4481 19.4481 k = 0.0694 0.5000-0.0000 ( 2270 PWs) bands (ev): -12.7926 -12.7926 -12.7926 -12.7926 -3.1705 -3.1705 -3.1615 -3.1615 0.9820 0.9820 1.0642 1.0642 2.7490 2.7490 2.8733 2.8733 4.2443 4.2443 4.2885 4.2885 11.3154 11.3154 11.3205 11.3205 12.3419 12.3419 12.3772 12.3772 12.7949 12.7949 12.8164 12.8164 17.1484 17.1484 17.1547 17.1547 19.4143 19.4143 19.4609 19.4609 k = 0.0833 0.5000-0.0000 ( 2266 PWs) bands (ev): -12.7910 -12.7910 -12.7910 -12.7910 -3.1916 -3.1916 -3.1812 -3.1812 0.9949 0.9949 1.0924 1.0924 2.7520 2.7520 2.9006 2.9006 4.2387 4.2387 4.2920 4.2920 11.3156 11.3156 11.3220 11.3220 12.3242 12.3242 12.3667 12.3667 12.7679 12.7679 12.7944 12.7944 17.1396 17.1396 17.1472 17.1472 19.4226 19.4226 19.4764 19.4764 k = 0.0972 0.5000-0.0000 ( 2272 PWs) bands (ev): -12.7892 -12.7892 -12.7892 -12.7892 -3.2156 -3.2156 -3.2039 -3.2039 1.0109 1.0109 1.1231 1.1231 2.7580 2.7580 2.9304 2.9304 4.2329 4.2329 4.2955 4.2955 11.3156 11.3156 11.3234 11.3234 12.3042 12.3042 12.3537 12.3537 12.7375 12.7375 12.7693 12.7693 17.1291 17.1291 17.1380 17.1380 19.4346 19.4346 19.4947 19.4947 k = 0.1111 0.5000-0.0000 ( 2272 PWs) bands (ev): -12.7872 -12.7872 -12.7871 -12.7871 -3.2423 -3.2423 -3.2295 -3.2295 1.0299 1.0299 1.1559 1.1559 2.7668 2.7668 2.9625 2.9625 4.2271 4.2271 4.2990 4.2990 11.3152 11.3152 11.3246 11.3246 12.2817 12.2817 12.3380 12.3380 12.7044 12.7044 12.7416 12.7416 17.1169 17.1169 17.1270 17.1270 19.4508 19.4508 19.5163 19.5163 k = 0.1250 0.5000-0.0000 ( 2276 PWs) bands (ev): -12.7849 -12.7849 -12.7849 -12.7849 -3.2714 -3.2714 -3.2576 -3.2576 1.0515 1.0515 1.1905 1.1905 2.7785 2.7785 2.9969 2.9969 4.2212 4.2212 4.3025 4.3025 11.3142 11.3142 11.3253 11.3253 12.2570 12.2570 12.3197 12.3197 12.6693 12.6693 12.7120 12.7120 17.1029 17.1029 17.1142 17.1142 19.4712 19.4712 19.5414 19.5414 k = 0.1389 0.5000-0.0000 ( 2278 PWs) bands (ev): -12.7824 -12.7824 -12.7824 -12.7824 -3.3025 -3.3025 -3.2879 -3.2879 1.0753 1.0753 1.2263 1.2263 2.7930 2.7930 3.0334 3.0334 4.2153 4.2153 4.3063 4.3063 11.3122 11.3122 11.3253 11.3253 12.2303 12.2303 12.2986 12.2986 12.6330 12.6330 12.6809 12.6809 17.0871 17.0871 17.0996 17.0996 19.4959 19.4959 19.5699 19.5699 k = 0.1528 0.5000-0.0000 ( 2274 PWs) bands (ev): -12.7797 -12.7797 -12.7797 -12.7797 -3.3353 -3.3353 -3.3202 -3.3202 1.1010 1.1010 1.2628 1.2628 2.8104 2.8104 3.0717 3.0717 4.2096 4.2096 4.3102 4.3102 11.3091 11.3091 11.3243 11.3243 12.2019 12.2019 12.2749 12.2749 12.5962 12.5962 12.6490 12.6490 17.0697 17.0697 17.0833 17.0833 19.5249 19.5249 19.6021 19.6021 k = 0.1667 0.5000-0.0000 ( 2280 PWs) bands (ev): -12.7768 -12.7768 -12.7768 -12.7768 -3.3695 -3.3695 -3.3539 -3.3539 1.1282 1.1282 1.2996 1.2996 2.8305 2.8305 3.1117 3.1117 4.2041 4.2041 4.3145 4.3145 11.3043 11.3043 11.3220 11.3220 12.1721 12.1721 12.2485 12.2485 12.5598 12.5598 12.6168 12.6168 17.0506 17.0506 17.0653 17.0653 19.5579 19.5579 19.6377 19.6377 k = 0.1806 0.5000-0.0000 ( 2280 PWs) bands (ev): -12.7738 -12.7738 -12.7738 -12.7738 -3.4047 -3.4047 -3.3889 -3.3889 1.1567 1.1567 1.3364 1.3364 2.8532 2.8532 3.1530 3.1530 4.1991 4.1991 4.3192 4.3192 11.2975 11.2975 11.3180 11.3180 12.1415 12.1415 12.2197 12.2197 12.5245 12.5245 12.5846 12.5846 17.0302 17.0302 17.0458 17.0458 19.5949 19.5949 19.6765 19.6765 k = 0.1944 0.5000-0.0000 ( 2276 PWs) bands (ev): -12.7707 -12.7707 -12.7706 -12.7706 -3.4407 -3.4407 -3.4248 -3.4248 1.1862 1.1862 1.3725 1.3725 2.8785 2.8785 3.1952 3.1952 4.1946 4.1946 4.3243 4.3243 11.2883 11.2883 11.3119 11.3119 12.1107 12.1107 12.1890 12.1890 12.4908 12.4908 12.5529 12.5529 17.0085 17.0085 17.0250 17.0250 19.6354 19.6354 19.7184 19.7184 k = 0.2083 0.5000-0.0000 ( 2278 PWs) bands (ev): -12.7674 -12.7674 -12.7673 -12.7673 -3.4772 -3.4772 -3.4613 -3.4613 1.2162 1.2162 1.4078 1.4078 2.9061 2.9061 3.2380 3.2380 4.1909 4.1909 4.3299 4.3299 11.2762 11.2762 11.3032 11.3032 12.0804 12.0804 12.1570 12.1570 12.4590 12.4590 12.5219 12.5219 16.9858 16.9858 17.0030 17.0030 19.6790 19.6790 19.7628 19.7628 k = 0.2222 0.5000-0.0000 ( 2282 PWs) bands (ev): -12.7641 -12.7641 -12.7640 -12.7640 -3.5138 -3.5138 -3.4980 -3.4980 1.2466 1.2466 1.4417 1.4417 2.9357 2.9357 3.2809 3.2809 4.1883 4.1883 4.3361 4.3361 11.2609 11.2609 11.2915 11.2915 12.0514 12.0514 12.1246 12.1246 12.4292 12.4292 12.4919 12.4919 16.9623 16.9623 16.9801 16.9801 19.7254 19.7254 19.8095 19.8095 k = 0.2361 0.5000-0.0000 ( 2282 PWs) bands (ev): -12.7607 -12.7607 -12.7606 -12.7606 -3.5502 -3.5502 -3.5347 -3.5347 1.2771 1.2771 1.4742 1.4742 2.9673 2.9673 3.3233 3.3233 4.1870 4.1870 4.3430 4.3430 11.2420 11.2420 11.2762 11.2762 12.0243 12.0243 12.0929 12.0929 12.4015 12.4015 12.4630 12.4630 16.9382 16.9382 16.9565 16.9565 19.7741 19.7741 19.8581 19.8581 k = 0.2500 0.5000-0.0000 ( 2286 PWs) bands (ev): -12.7572 -12.7572 -12.7572 -12.7572 -3.5863 -3.5863 -3.5712 -3.5712 1.3075 1.3075 1.5049 1.5049 3.0003 3.0003 3.3646 3.3646 4.1874 4.1874 4.3506 4.3506 11.2193 11.2193 11.2571 11.2571 11.9997 11.9997 12.0627 12.0627 12.3757 12.3757 12.4352 12.4352 16.9139 16.9139 16.9324 16.9324 19.8246 19.8246 19.9079 19.9079 k = 0.2639 0.5000-0.0000 ( 2290 PWs) bands (ev): -12.7538 -12.7538 -12.7537 -12.7537 -3.6217 -3.6217 -3.6070 -3.6070 1.3376 1.3376 1.5337 1.5337 3.0346 3.0346 3.4042 3.4042 4.1898 4.1898 4.3590 4.3590 11.1928 11.1928 11.2339 11.2339 11.9782 11.9782 12.0351 12.0351 12.3516 12.3516 12.4087 12.4087 16.8895 16.8895 16.9081 16.9081 19.8763 19.8763 19.9586 19.9586 k = 0.2778 0.5000-0.0000 ( 2282 PWs) bands (ev): -12.7503 -12.7503 -12.7503 -12.7503 -3.6562 -3.6562 -3.6421 -3.6421 1.3672 1.3672 1.5604 1.5604 3.0698 3.0698 3.4414 3.4414 4.1945 4.1945 4.3680 4.3680 11.1628 11.1628 11.2067 11.2067 11.9601 11.9601 12.0107 12.0107 12.3292 12.3292 12.3835 12.3835 16.8653 16.8653 16.8839 16.8839 19.9289 19.9289 20.0097 20.0097 k = 0.2917 0.5000-0.0000 ( 2288 PWs) bands (ev): -12.7470 -12.7470 -12.7469 -12.7469 -3.6897 -3.6897 -3.6762 -3.6762 1.3962 1.3962 1.5849 1.5849 3.1054 3.1054 3.4755 3.4755 4.2019 4.2019 4.3778 4.3778 11.1296 11.1296 11.1755 11.1755 11.9453 11.9453 11.9899 11.9899 12.3083 12.3083 12.3595 12.3595 16.8415 16.8415 16.8599 16.8599 19.9818 19.9818 20.0606 20.0606 k = 0.3056 0.5000-0.0000 ( 2288 PWs) bands (ev): -12.7436 -12.7436 -12.7436 -12.7436 -3.7218 -3.7218 -3.7091 -3.7091 1.4245 1.4245 1.6071 1.6071 3.1412 3.1412 3.5059 3.5059 4.2122 4.2122 4.3883 4.3883 11.0938 11.0938 11.1411 11.1411 11.9338 11.9338 11.9728 11.9728 12.2887 12.2887 12.3367 12.3367 16.8184 16.8184 16.8364 16.8364 20.0346 20.0346 20.1110 20.1110 k = 0.3194 0.5000-0.0000 ( 2292 PWs) bands (ev): -12.7404 -12.7404 -12.7404 -12.7404 -3.7525 -3.7525 -3.7405 -3.7405 1.4518 1.4518 1.6271 1.6271 3.1767 3.1767 3.5321 3.5321 4.2255 4.2255 4.3993 4.3993 11.0562 11.0562 11.1039 11.1039 11.9253 11.9253 11.9593 11.9593 12.2705 12.2705 12.3153 12.3153 16.7961 16.7961 16.8136 16.8136 20.0868 20.0868 20.1603 20.1603 k = 0.3333 0.5000-0.0000 ( 2294 PWs) bands (ev): -12.7373 -12.7373 -12.7373 -12.7373 -3.7816 -3.7816 -3.7703 -3.7703 1.4782 1.4782 1.6449 1.6449 3.2117 3.2117 3.5538 3.5538 4.2419 4.2419 4.4107 4.4107 11.0176 11.0176 11.0648 11.0648 11.9194 11.9194 11.9491 11.9491 12.2535 12.2535 12.2951 12.2951 16.7749 16.7749 16.7916 16.7916 20.1378 20.1378 20.2081 20.2081 k = 0.3472 0.5000-0.0000 ( 2298 PWs) bands (ev): -12.7344 -12.7344 -12.7343 -12.7343 -3.8088 -3.8088 -3.7984 -3.7984 1.5035 1.5035 1.6603 1.6603 3.2459 3.2459 3.5708 3.5708 4.2610 4.2610 4.4224 4.4224 10.9788 10.9788 11.0246 11.0246 11.9159 11.9159 11.9417 11.9417 12.2377 12.2377 12.2761 12.2761 16.7549 16.7549 16.7708 16.7708 20.1874 20.1874 20.2540 20.2540 k = 0.3611 0.5000-0.0000 ( 2294 PWs) bands (ev): -12.7316 -12.7316 -12.7316 -12.7316 -3.8341 -3.8341 -3.8245 -3.8245 1.5276 1.5276 1.6735 1.6735 3.2790 3.2790 3.5832 3.5832 4.2824 4.2824 4.4340 4.4340 10.9407 10.9407 10.9844 10.9844 11.9143 11.9143 11.9369 11.9369 12.2232 12.2232 12.2584 12.2584 16.7362 16.7362 16.7512 16.7512 20.2351 20.2351 20.2974 20.2974 k = 0.3750 0.5000-0.0000 ( 2292 PWs) bands (ev): -12.7290 -12.7290 -12.7290 -12.7290 -3.8573 -3.8573 -3.8486 -3.8486 1.5504 1.5504 1.6845 1.6845 3.3109 3.3109 3.5913 3.5913 4.3054 4.3054 4.4453 4.4453 10.9039 10.9039 10.9449 10.9449 11.9143 11.9143 11.9340 11.9340 12.2100 12.2100 12.2420 12.2420 16.7191 16.7191 16.7329 16.7329 20.2804 20.2804 20.3382 20.3382 k = 0.3889 0.5000-0.0000 ( 2296 PWs) bands (ev): -12.7267 -12.7267 -12.7266 -12.7266 -3.8783 -3.8783 -3.8705 -3.8705 1.5720 1.5720 1.6933 1.6933 3.3413 3.3413 3.5954 3.5954 4.3293 4.3293 4.4559 4.4559 10.8692 10.8692 10.9070 10.9070 11.9154 11.9154 11.9326 11.9326 12.1981 12.1981 12.2269 12.2269 16.7035 16.7035 16.7161 16.7161 20.3229 20.3229 20.3757 20.3757 k = 0.4028 0.5000-0.0000 ( 2300 PWs) bands (ev): -12.7245 -12.7245 -12.7245 -12.7245 -3.8971 -3.8971 -3.8902 -3.8902 1.5922 1.5922 1.7000 1.7000 3.3702 3.3702 3.5959 3.5959 4.3534 4.3534 4.4655 4.4655 10.8374 10.8374 10.8714 10.8714 11.9173 11.9173 11.9323 11.9323 12.1875 12.1875 12.2131 12.2131 16.6897 16.6897 16.7010 16.7010 20.3623 20.3623 20.4096 20.4096 k = 0.4167 0.5000-0.0000 ( 2300 PWs) bands (ev): -12.7226 -12.7226 -12.7226 -12.7226 -3.9134 -3.9134 -3.9075 -3.9075 1.6109 1.6109 1.7045 1.7045 3.3975 3.3975 3.5932 3.5932 4.3770 4.3770 4.4738 4.4738 10.8089 10.8089 10.8388 10.8388 11.9199 11.9199 11.9327 11.9327 12.1784 12.1784 12.2007 12.2007 16.6777 16.6777 16.6876 16.6876 20.3981 20.3981 20.4396 20.4396 k = 0.4306 0.5000-0.0000 ( 2300 PWs) bands (ev): -12.7210 -12.7210 -12.7210 -12.7210 -3.9273 -3.9273 -3.9223 -3.9223 1.6281 1.6281 1.7070 1.7070 3.4232 3.4232 3.5876 3.5876 4.3993 4.3993 4.4804 4.4804 10.7844 10.7844 10.8097 10.8097 11.9228 11.9228 11.9335 11.9335 12.1707 12.1707 12.1896 12.1896 16.6676 16.6676 16.6759 16.6759 20.4299 20.4299 20.4652 20.4652 k = 0.4444 0.5000-0.0000 ( 2296 PWs) bands (ev): -12.7196 -12.7196 -12.7196 -12.7196 -3.9386 -3.9386 -3.9347 -3.9347 1.6438 1.6438 1.7075 1.7075 3.4472 3.4472 3.5796 3.5796 4.4199 4.4199 4.4849 4.4849 10.7642 10.7642 10.7848 10.7848 11.9257 11.9257 11.9344 11.9344 12.1647 12.1647 12.1801 12.1801 16.6594 16.6594 16.6661 16.6661 20.4574 20.4574 20.4861 20.4861 k = 0.4583 0.5000-0.0000 ( 2296 PWs) bands (ev): -12.7186 -12.7186 -12.7185 -12.7185 -3.9474 -3.9474 -3.9444 -3.9444 1.6579 1.6579 1.7060 1.7060 3.4696 3.4696 3.5693 3.5693 4.4382 4.4382 4.4869 4.4869 10.7487 10.7487 10.7643 10.7643 11.9285 11.9285 11.9351 11.9351 12.1604 12.1604 12.1721 12.1721 16.6532 16.6532 16.6583 16.6583 20.4801 20.4801 20.5019 20.5019 k = 0.4722 0.5000-0.0000 ( 2300 PWs) bands (ev): -12.7178 -12.7178 -12.7178 -12.7178 -3.9535 -3.9535 -3.9516 -3.9516 1.6704 1.6704 1.7026 1.7026 3.4904 3.4904 3.5571 3.5571 4.4538 4.4538 4.4863 4.4863 10.7382 10.7382 10.7487 10.7487 11.9310 11.9310 11.9354 11.9354 12.1578 12.1578 12.1657 12.1657 16.6490 16.6490 16.6524 16.6524 20.4977 20.4977 20.5124 20.5124 k = 0.4861 0.5000-0.0000 ( 2300 PWs) bands (ev): -12.7173 -12.7173 -12.7173 -12.7173 -3.9570 -3.9570 -3.9561 -3.9561 1.6811 1.6811 1.6972 1.6972 3.5096 3.5096 3.5429 3.5429 4.4665 4.4665 4.4827 4.4827 10.7329 10.7329 10.7381 10.7381 11.9330 11.9330 11.9352 11.9352 12.1571 12.1571 12.1610 12.1610 16.6468 16.6468 16.6485 16.6485 20.5098 20.5098 20.5172 20.5172 k = 0.5000 0.5000-0.0000 ( 2304 PWs) bands (ev): -12.7172 -12.7172 -12.7172 -12.7172 -3.9579 -3.9579 -3.9579 -3.9579 1.6901 1.6901 1.6901 1.6901 3.5271 3.5271 3.5271 3.5271 4.4762 4.4762 4.4762 4.4762 10.7329 10.7329 10.7329 10.7329 11.9344 11.9344 11.9344 11.9344 12.1581 12.1581 12.1581 12.1581 16.6466 16.6466 16.6466 16.6466 20.5164 20.5164 20.5164 20.5164 k = 0.5000 0.5000-0.0000 ( 2304 PWs) bands (ev): -12.7172 -12.7172 -12.7172 -12.7172 -3.9579 -3.9579 -3.9579 -3.9579 1.6901 1.6901 1.6901 1.6901 3.5271 3.5271 3.5271 3.5271 4.4762 4.4762 4.4762 4.4762 10.7329 10.7329 10.7329 10.7329 11.9344 11.9344 11.9344 11.9344 12.1581 12.1581 12.1581 12.1581 16.6466 16.6466 16.6466 16.6466 20.5164 20.5164 20.5164 20.5164 k = 0.4902 0.4902-0.0000 ( 2296 PWs) bands (ev): -12.7180 -12.7180 -12.7167 -12.7167 -3.9572 -3.9572 -3.9559 -3.9559 1.6811 1.6811 1.6972 1.6972 3.5096 3.5096 3.5429 3.5429 4.4665 4.4665 4.4828 4.4828 10.7327 10.7327 10.7383 10.7383 11.9329 11.9329 11.9353 11.9353 12.1567 12.1567 12.1614 12.1614 16.6448 16.6448 16.6505 16.6505 20.5086 20.5086 20.5185 20.5185 k = 0.4804 0.4804-0.0000 ( 2296 PWs) bands (ev): -12.7204 -12.7204 -12.7151 -12.7151 -3.9547 -3.9547 -3.9505 -3.9505 1.6702 1.6702 1.7027 1.7027 3.4904 3.4904 3.5570 3.5570 4.4535 4.4535 4.4866 4.4866 10.7372 10.7372 10.7496 10.7496 11.9307 11.9307 11.9357 11.9357 12.1552 12.1552 12.1682 12.1682 16.6397 16.6397 16.6615 16.6615 20.4901 20.4901 20.5200 20.5200 k = 0.4706 0.4706-0.0000 ( 2296 PWs) bands (ev): -12.7245 -12.7245 -12.7126 -12.7126 -3.9503 -3.9503 -3.9416 -3.9416 1.6574 1.6574 1.7066 1.7066 3.4695 3.4695 3.5693 3.5693 4.4372 4.4372 4.4881 4.4881 10.7458 10.7458 10.7672 10.7672 11.9279 11.9279 11.9361 11.9361 12.1533 12.1533 12.1787 12.1787 16.6314 16.6314 16.6799 16.6799 20.4600 20.4600 20.5223 20.5223 k = 0.4608 0.4608-0.0000 ( 2296 PWs) bands (ev): -12.7301 -12.7301 -12.7091 -12.7091 -3.9442 -3.9442 -3.9292 -3.9292 1.6426 1.6426 1.7089 1.7089 3.4468 3.4468 3.5795 3.5795 4.4180 4.4180 4.4874 4.4874 10.7582 10.7582 10.7911 10.7911 11.9246 11.9246 11.9364 11.9364 12.1508 12.1508 12.1928 12.1928 16.6199 16.6199 16.7051 16.7051 20.4186 20.4186 20.5256 20.5256 k = 0.4510 0.4510-0.0000 ( 2300 PWs) bands (ev): -12.7373 -12.7373 -12.7046 -12.7046 -3.9364 -3.9364 -3.9133 -3.9133 1.6258 1.6258 1.7098 1.7098 3.4219 3.4219 3.5875 3.5875 4.3961 4.3961 4.4850 4.4850 10.7742 10.7742 10.8209 10.8209 11.9214 11.9214 11.9368 11.9368 12.1478 12.1478 12.2100 12.2100 16.6054 16.6054 16.7371 16.7371 20.3663 20.3663 20.5301 20.5301 k = 0.4412 0.4412-0.0000 ( 2300 PWs) bands (ev): -12.7460 -12.7460 -12.6991 -12.6991 -3.9269 -3.9269 -3.8942 -3.8942 1.6067 1.6067 1.7094 1.7094 3.3947 3.3947 3.5930 3.5930 4.3725 4.3725 4.4810 4.4810 10.7939 10.7939 10.8563 10.8563 11.9184 11.9184 11.9373 11.9373 12.1446 12.1446 12.2299 12.2299 16.5880 16.5880 16.7752 16.7752 20.3037 20.3037 20.5360 20.5360 k = 0.4314 0.4314-0.0000 ( 2300 PWs) bands (ev): -12.7561 -12.7561 -12.6926 -12.6926 -3.9156 -3.9156 -3.8717 -3.8717 1.5854 1.5854 1.7079 1.7079 3.3648 3.3648 3.5958 3.5958 4.3480 4.3480 4.4757 4.4757 10.8171 10.8171 10.8968 10.8968 11.9161 11.9161 11.9381 11.9381 12.1413 12.1413 12.2521 12.2521 16.5680 16.5680 16.8190 16.8190 20.2315 20.2315 20.5437 20.5437 k = 0.4216 0.4216-0.0000 ( 2296 PWs) bands (ev): -12.7677 -12.7677 -12.6852 -12.6852 -3.9027 -3.9027 -3.8462 -3.8462 1.5618 1.5618 1.7055 1.7055 3.3318 3.3318 3.5957 3.5957 4.3237 4.3237 4.4691 4.4691 10.8437 10.8437 10.9417 10.9417 11.9145 11.9145 11.9393 11.9393 12.1382 12.1382 12.2763 12.2763 16.5456 16.5456 16.8680 16.8680 20.1502 20.1502 20.5534 20.5534 k = 0.4118 0.4118-0.0000 ( 2292 PWs) bands (ev): -12.7806 -12.7806 -12.6769 -12.6769 -3.8881 -3.8881 -3.8176 -3.8176 1.5358 1.5358 1.7021 1.7021 3.2951 3.2951 3.5925 3.5925 4.3007 4.3007 4.4615 4.4615 10.8738 10.8738 10.9904 10.9904 11.9139 11.9139 11.9408 11.9408 12.1355 12.1355 12.3023 12.3023 16.5210 16.5210 16.9213 16.9213 20.0604 20.0604 20.5655 20.5655 k = 0.4020 0.4020-0.0000 ( 2295 PWs) bands (ev): -12.7948 -12.7948 -12.6676 -12.6676 -3.8718 -3.8718 -3.7862 -3.7862 1.5073 1.5073 1.6982 1.6982 3.2542 3.2542 3.5863 3.5863 4.2800 4.2800 4.4528 4.4528 10.9072 10.9072 11.0423 11.0423 11.9144 11.9144 11.9428 11.9428 12.1336 12.1336 12.3298 12.3298 16.4946 16.4946 16.9783 16.9783 19.9627 19.9627 20.5804 20.5804 k = 0.3922 0.3922-0.0000 ( 2299 PWs) bands (ev): -12.8102 -12.8102 -12.6575 -12.6575 -3.8538 -3.8538 -3.7520 -3.7520 1.4763 1.4763 1.6937 1.6937 3.2088 3.2088 3.5775 3.5775 4.2624 4.2624 4.4433 4.4433 10.9439 10.9439 11.0966 11.0966 11.9161 11.9161 11.9455 11.9455 12.1326 12.1326 12.3586 12.3586 16.4665 16.4665 17.0382 17.0382 19.8576 19.8576 20.5986 20.5986 k = 0.3824 0.3824-0.0000 ( 2295 PWs) bands (ev): -12.8266 -12.8266 -12.6466 -12.6466 -3.8343 -3.8343 -3.7154 -3.7154 1.4426 1.4426 1.6890 1.6890 3.1583 3.1583 3.5663 3.5663 4.2483 4.2483 4.4330 4.4330 10.9838 10.9838 11.1526 11.1526 11.9189 11.9189 11.9488 11.9488 12.1331 12.1331 12.3886 12.3886 16.4370 16.4370 17.1002 17.1002 19.7457 19.7457 20.6205 20.6205 k = 0.3725 0.3725-0.0000 ( 2295 PWs) bands (ev): -12.8442 -12.8442 -12.6348 -12.6348 -3.8131 -3.8131 -3.6764 -3.6764 1.4063 1.4063 1.6841 1.6841 3.1026 3.1026 3.5534 3.5534 4.2379 4.2379 4.4219 4.4219 11.0268 11.0268 11.2096 11.2096 11.9231 11.9231 11.9529 11.9529 12.1352 12.1352 12.4195 12.4195 16.4064 16.4064 17.1633 17.1633 19.6275 19.6275 20.6466 20.6466 k = 0.3627 0.3627-0.0000 ( 2291 PWs) bands (ev): -12.8626 -12.8626 -12.6223 -12.6223 -3.7904 -3.7904 -3.6353 -3.6353 1.3674 1.3674 1.6792 1.6792 3.0417 3.0417 3.5394 3.5394 4.2313 4.2313 4.4102 4.4102 11.0728 11.0728 11.2667 11.2667 11.9285 11.9285 11.9580 11.9580 12.1394 12.1394 12.4512 12.4512 16.3750 16.3750 17.2267 17.2267 19.5035 19.5035 20.6773 20.6773 k = 0.3529 0.3529-0.0000 ( 2283 PWs) bands (ev): -12.8819 -12.8819 -12.6090 -12.6090 -3.7661 -3.7661 -3.5922 -3.5922 1.3258 1.3258 1.6745 1.6745 2.9759 2.9759 3.5249 3.5249 4.2279 4.2279 4.3980 4.3980 11.1218 11.1218 11.3233 11.3233 11.9352 11.9352 11.9640 11.9640 12.1459 12.1459 12.4836 12.4836 16.3430 16.3430 17.2895 17.2895 19.3743 19.3743 20.7126 20.7126 k = 0.3431 0.3431-0.0000 ( 2281 PWs) bands (ev): -12.9020 -12.9020 -12.5950 -12.5950 -3.7403 -3.7403 -3.5475 -3.5475 1.2815 1.2815 1.6702 1.6702 2.9055 2.9055 3.5105 3.5105 4.2274 4.2274 4.3854 4.3854 11.1735 11.1735 11.3787 11.3787 11.9431 11.9431 11.9710 11.9710 12.1552 12.1552 12.5165 12.5165 16.3106 16.3106 17.3508 17.3508 19.2404 19.2404 20.7070 20.7070 k = 0.3333 0.3333-0.0000 ( 2277 PWs) bands (ev): -12.9227 -12.9227 -12.5804 -12.5804 -3.7131 -3.7131 -3.5012 -3.5012 1.2346 1.2346 1.6663 1.6663 2.8310 2.8310 3.4966 3.4966 4.2292 4.2292 4.3725 4.3725 11.2280 11.2280 11.4321 11.4321 11.9523 11.9523 11.9791 11.9791 12.1676 12.1676 12.5498 12.5498 16.2781 16.2781 17.4099 17.4099 19.1023 19.1023 20.5734 20.5734 k = 0.3235 0.3235-0.0000 ( 2279 PWs) bands (ev): -12.9440 -12.9440 -12.5651 -12.5651 -3.6844 -3.6844 -3.4537 -3.4537 1.1852 1.1852 1.6631 1.6631 2.7531 2.7531 3.4836 3.4836 4.2327 4.2327 4.3595 4.3595 11.2850 11.2850 11.4831 11.4831 11.9628 11.9628 11.9884 11.9884 12.1833 12.1833 12.5833 12.5833 16.2455 16.2455 17.4659 17.4659 18.9605 18.9605 20.4339 20.4339 k = 0.3137 0.3137-0.0000 ( 2279 PWs) bands (ev): -12.9657 -12.9657 -12.5493 -12.5493 -3.6543 -3.6543 -3.4051 -3.4051 1.1332 1.1332 1.6605 1.6605 2.6724 2.6724 3.4716 3.4716 4.2373 4.2373 4.3468 4.3468 11.3444 11.3444 11.5311 11.5311 11.9744 11.9744 11.9987 11.9987 12.2025 12.2025 12.6168 12.6168 16.2133 16.2133 17.5184 17.5184 18.8154 18.8154 20.2921 20.2921 k = 0.3039 0.3039-0.0000 ( 2279 PWs) bands (ev): -12.9879 -12.9879 -12.5330 -12.5330 -3.6229 -3.6229 -3.3557 -3.3557 1.0789 1.0789 1.6586 1.6586 2.5895 2.5895 3.4609 3.4609 4.2420 4.2420 4.3347 4.3347 11.4061 11.4061 11.5759 11.5759 11.9872 11.9872 12.0102 12.0102 12.2252 12.2252 12.6504 12.6504 16.1814 16.1814 17.5666 17.5666 18.6677 18.6677 20.1490 20.1490 k = 0.2941 0.2941-0.0000 ( 2279 PWs) bands (ev): -13.0103 -13.0103 -12.5162 -12.5162 -3.5901 -3.5901 -3.3057 -3.3057 1.0224 1.0224 1.6576 1.6576 2.5051 2.5051 3.4516 3.4516 4.2459 4.2459 4.3242 4.3242 11.4699 11.4699 11.6173 11.6173 12.0011 12.0011 12.0229 12.0229 12.2512 12.2512 12.6838 12.6838 16.1500 16.1500 17.6103 17.6103 18.5178 18.5178 20.0053 20.0053 k = 0.2843 0.2843-0.0000 ( 2277 PWs) bands (ev): -13.0329 -13.0329 -12.4990 -12.4990 -3.5562 -3.5562 -3.2555 -3.2555 0.9639 0.9639 1.6575 1.6575 2.4197 2.4197 3.4439 3.4439 4.2474 4.2474 4.3164 4.3164 11.5356 11.5356 11.6556 11.6556 12.0161 12.0161 12.0368 12.0368 12.2802 12.2802 12.7168 12.7168 16.1194 16.1194 17.6492 17.6492 18.3663 18.3663 19.8616 19.8616 k = 0.2745 0.2745-0.0000 ( 2277 PWs) bands (ev): -13.0556 -13.0556 -12.4815 -12.4815 -3.5210 -3.5210 -3.2051 -3.2051 0.9035 0.9035 1.6583 1.6583 2.3338 2.3338 3.4378 3.4378 4.2448 4.2448 4.3127 4.3127 11.6028 11.6028 11.6911 11.6911 12.0321 12.0321 12.0518 12.0518 12.3118 12.3118 12.7495 12.7495 16.0896 16.0896 17.6831 17.6831 18.2135 18.2135 19.7184 19.7184 k = 0.2647 0.2647-0.0000 ( 2275 PWs) bands (ev): -13.0783 -13.0783 -12.4637 -12.4637 -3.4848 -3.4848 -3.1548 -3.1548 0.8413 0.8413 1.6599 1.6599 2.2478 2.2478 3.4334 3.4334 4.2379 4.2379 4.3133 4.3133 11.6710 11.6710 11.7246 11.7246 12.0490 12.0490 12.0679 12.0679 12.3452 12.3452 12.7816 12.7816 16.0606 16.0606 17.7121 17.7121 18.0602 18.0602 19.5762 19.5762 k = 0.2549 0.2549-0.0000 ( 2277 PWs) bands (ev): -13.1010 -13.1010 -12.4457 -12.4457 -3.4475 -3.4475 -3.1049 -3.1049 0.7778 0.7778 1.6623 1.6623 2.1624 2.1624 3.4308 3.4308 4.2276 4.2276 4.3171 4.3171 11.7361 11.7361 11.7603 11.7603 12.0667 12.0667 12.0852 12.0852 12.3798 12.3798 12.8131 12.8131 16.0327 16.0327 17.7358 17.7358 17.9071 17.9071 19.4353 19.4353 k = 0.2451 0.2451-0.0000 ( 2273 PWs) bands (ev): -13.1234 -13.1234 -12.4276 -12.4276 -3.4092 -3.4092 -3.0556 -3.0556 0.7130 0.7130 1.6654 1.6654 2.0778 2.0778 3.4301 3.4301 4.2154 4.2154 4.3224 4.3224 11.7775 11.7775 11.8192 11.8192 12.0852 12.0852 12.1037 12.1037 12.4149 12.4149 12.8439 12.8439 16.0058 16.0058 17.7391 17.7391 17.7702 17.7702 19.2962 19.2962 k = 0.2353 0.2353-0.0000 ( 2273 PWs) bands (ev): -13.1457 -13.1457 -12.4093 -12.4093 -3.3701 -3.3701 -3.0071 -3.0071 0.6473 0.6473 1.6689 1.6689 1.9947 1.9947 3.4314 3.4314 4.2021 4.2021 4.3283 4.3283 11.8068 11.8068 11.8898 11.8898 12.1044 12.1044 12.1235 12.1235 12.4500 12.4500 12.8738 12.8738 15.9800 15.9800 17.5983 17.5983 17.7741 17.7741 19.1591 19.1591 k = 0.2255 0.2255-0.0000 ( 2269 PWs) bands (ev): -13.1676 -13.1676 -12.3911 -12.3911 -3.3302 -3.3302 -2.9595 -2.9595 0.5810 0.5810 1.6721 1.6721 1.9138 1.9138 3.4348 3.4348 4.1883 4.1883 4.3341 4.3341 11.8339 11.8339 11.9620 11.9620 12.1243 12.1243 12.1445 12.1445 12.4843 12.4843 12.9028 12.9028 15.9553 15.9553 17.4476 17.4476 17.7852 17.7852 19.0244 19.0244 k = 0.2157 0.2157-0.0000 ( 2261 PWs) bands (ev): -13.1891 -13.1891 -12.3728 -12.3728 -3.2897 -3.2897 -2.9131 -2.9131 0.5142 0.5142 1.6735 1.6735 1.8371 1.8371 3.4402 3.4402 4.1743 4.1743 4.3394 4.3394 11.8604 11.8604 12.0341 12.0341 12.1447 12.1447 12.1671 12.1671 12.5175 12.5175 12.9308 12.9308 15.9318 15.9318 17.2983 17.2983 17.7932 17.7932 18.8924 18.8924 k = 0.2059 0.2059-0.0000 ( 2259 PWs) bands (ev): -13.2102 -13.2102 -12.3548 -12.3548 -3.2485 -3.2485 -2.8680 -2.8680 0.4474 0.4474 1.6664 1.6664 1.7712 1.7712 3.4478 3.4478 4.1603 4.1603 4.3439 4.3439 11.8865 11.8865 12.1043 12.1043 12.1659 12.1659 12.1922 12.1922 12.5492 12.5492 12.9576 12.9576 15.9093 15.9093 17.1513 17.1513 17.7982 17.7982 18.7633 18.7633 k = 0.1961 0.1961-0.0000 ( 2267 PWs) bands (ev): -13.2308 -13.2308 -12.3369 -12.3369 -3.2070 -3.2070 -2.8245 -2.8245 0.3807 0.3807 1.6325 1.6325 1.7346 1.7346 3.4576 3.4576 4.1465 4.1465 4.3474 4.3474 11.9126 11.9126 12.1658 12.1658 12.1896 12.1896 12.2242 12.2242 12.5792 12.5792 12.9833 12.9833 15.8879 15.8879 17.0072 17.0072 17.8006 17.8006 18.6375 18.6375 k = 0.1863 0.1863-0.0000 ( 2267 PWs) bands (ev): -13.2507 -13.2507 -12.3193 -12.3193 -3.1651 -3.1651 -2.7825 -2.7825 0.3146 0.3146 1.5714 1.5714 1.7277 1.7277 3.4697 3.4697 4.1329 4.1329 4.3497 4.3497 11.9388 11.9388 12.2011 12.2011 12.2207 12.2207 12.2752 12.2752 12.6072 12.6072 13.0078 13.0078 15.8673 15.8673 16.8667 16.8667 17.8006 17.8006 18.5152 18.5152 k = 0.1765 0.1765-0.0000 ( 2267 PWs) bands (ev): -13.2700 -13.2700 -12.3020 -12.3020 -3.1231 -3.1231 -2.7423 -2.7423 0.2492 0.2492 1.5028 1.5028 1.7309 1.7309 3.4840 3.4840 4.1197 4.1197 4.3506 4.3506 11.9654 11.9654 12.2239 12.2239 12.2496 12.2496 12.3402 12.3402 12.6333 12.6333 13.0311 13.0311 15.8476 15.8476 16.7303 16.7303 17.7987 17.7987 18.3966 18.3966 k = 0.1667 0.1667-0.0000 ( 2269 PWs) bands (ev): -13.2885 -13.2885 -12.2851 -12.2851 -3.0811 -3.0811 -2.7041 -2.7041 0.1849 0.1849 1.4338 1.4338 1.7373 1.7373 3.5006 3.5006 4.1069 4.1069 4.3501 4.3501 11.9923 11.9923 12.2451 12.2451 12.2760 12.2760 12.4075 12.4075 12.6577 12.6577 13.0532 13.0532 15.8283 15.8283 16.5988 16.5988 17.7952 17.7952 18.2822 18.2822 k = 0.1569 0.1569-0.0000 ( 2273 PWs) bands (ev): -13.3063 -13.3063 -12.2688 -12.2688 -3.0393 -3.0393 -2.6677 -2.6677 0.1220 0.1220 1.3662 1.3662 1.7449 1.7449 3.5194 3.5194 4.0945 4.0945 4.3480 4.3480 12.0196 12.0196 12.2658 12.2658 12.3017 12.3017 12.4729 12.4729 12.6812 12.6812 13.0740 13.0740 15.8091 15.8091 16.4731 16.4731 17.7905 17.7905 18.1720 18.1720 k = 0.1471 0.1471-0.0000 ( 2273 PWs) bands (ev): -13.3233 -13.3233 -12.2530 -12.2530 -2.9979 -2.9979 -2.6335 -2.6335 0.0608 0.0608 1.3009 1.3009 1.7531 1.7531 3.5403 3.5403 4.0827 4.0827 4.3442 4.3442 12.0474 12.0474 12.2859 12.2859 12.3270 12.3270 12.5339 12.5339 12.7051 12.7051 13.0936 13.0936 15.7894 15.7894 16.3541 16.3541 17.7847 17.7847 18.0665 18.0665 k = 0.1373 0.1373-0.0000 ( 2273 PWs) bands (ev): -13.3393 -13.3393 -12.2378 -12.2378 -2.9571 -2.9571 -2.6014 -2.6014 0.0016 0.0016 1.2382 1.2382 1.7615 1.7615 3.5633 3.5633 4.0715 4.0715 4.3387 4.3387 12.0756 12.0756 12.3055 12.3055 12.3518 12.3518 12.5872 12.5872 12.7319 12.7319 13.1120 13.1120 15.7683 15.7683 16.2434 16.2434 17.7782 17.7782 17.9660 17.9660 k = 0.1275 0.1275-0.0000 ( 2271 PWs) bands (ev): -13.3545 -13.3545 -12.2233 -12.2233 -2.9171 -2.9171 -2.5714 -2.5714 -0.0554 -0.0554 1.1785 1.1785 1.7698 1.7698 3.5882 3.5882 4.0609 4.0609 4.3313 4.3313 12.1041 12.1041 12.3245 12.3245 12.3758 12.3758 12.6288 12.6288 12.7653 12.7653 13.1294 13.1294 15.7442 15.7442 16.1427 16.1427 17.7710 17.7710 17.8708 17.8708 k = 0.1176 0.1176-0.0000 ( 2275 PWs) bands (ev): -13.3687 -13.3687 -12.2097 -12.2097 -2.8782 -2.8782 -2.5437 -2.5437 -0.1099 -0.1099 1.1221 1.1221 1.7779 1.7779 3.6149 3.6149 4.0509 4.0509 4.3222 4.3222 12.1329 12.1329 12.3427 12.3427 12.3989 12.3989 12.6570 12.6570 12.8066 12.8066 13.1458 13.1458 15.7149 15.7149 16.0546 16.0546 17.7608 17.7608 17.7839 17.7839 k = 0.1078 0.1078-0.0000 ( 2271 PWs) bands (ev): -13.3819 -13.3819 -12.1968 -12.1968 -2.8406 -2.8406 -2.5182 -2.5182 -0.1615 -0.1615 1.0692 1.0692 1.7857 1.7857 3.6431 3.6431 4.0417 4.0417 4.3111 4.3111 12.1620 12.1620 12.3601 12.3601 12.4208 12.4208 12.6742 12.6742 12.8527 12.8527 13.1614 13.1614 15.6778 15.6778 15.9821 15.9821 17.6945 17.6945 17.7587 17.7587 k = 0.0980 0.0980-0.0000 ( 2271 PWs) bands (ev): -13.3941 -13.3941 -12.1848 -12.1848 -2.8048 -2.8048 -2.4950 -2.4950 -0.2100 -0.2100 1.0199 1.0199 1.7930 1.7930 3.6727 3.6727 4.0333 4.0333 4.2982 4.2982 12.1911 12.1911 12.3765 12.3765 12.4409 12.4409 12.6843 12.6843 12.8997 12.8997 13.1764 13.1764 15.6318 15.6318 15.9269 15.9269 17.6169 17.6169 17.7511 17.7511 k = 0.0882 0.0882-0.0000 ( 2271 PWs) bands (ev): -13.4052 -13.4052 -12.1738 -12.1738 -2.7708 -2.7708 -2.4741 -2.4741 -0.2551 -0.2551 0.9746 0.9746 1.7998 1.7998 3.7033 3.7033 4.0257 4.0257 4.2835 4.2835 12.2202 12.2202 12.3918 12.3918 12.4589 12.4589 12.6897 12.6897 12.9447 12.9447 13.1911 13.1911 15.5784 15.5784 15.8875 15.8875 17.5451 17.5451 17.7443 17.7443 k = 0.0784 0.0784-0.0000 ( 2267 PWs) bands (ev): -13.4152 -13.4152 -12.1638 -12.1638 -2.7392 -2.7392 -2.4555 -2.4555 -0.2964 -0.2964 0.9334 0.9334 1.8061 1.8061 3.7345 3.7345 4.0190 4.0190 4.2670 4.2670 12.2491 12.2491 12.4059 12.4059 12.4744 12.4744 12.6921 12.6921 12.9858 12.9858 13.2056 13.2056 15.5217 15.5217 15.8603 15.8603 17.4799 17.4799 17.7379 17.7379 k = 0.0686 0.0686-0.0000 ( 2275 PWs) bands (ev): -13.4241 -13.4241 -12.1548 -12.1548 -2.7101 -2.7101 -2.4391 -2.4391 -0.3338 -0.3338 0.8966 0.8966 1.8116 1.8116 3.7660 3.7660 4.0132 4.0132 4.2490 4.2490 12.2776 12.2776 12.4186 12.4186 12.4867 12.4867 12.6926 12.6926 13.0220 13.0220 13.2202 13.2202 15.4658 15.4658 15.8413 15.8413 17.4216 17.4216 17.7321 17.7321 k = 0.0588 0.0588-0.0000 ( 2273 PWs) bands (ev): -13.4319 -13.4319 -12.1470 -12.1470 -2.6840 -2.6840 -2.4250 -2.4250 -0.3670 -0.3670 0.8642 0.8642 1.8165 1.8165 3.7973 3.7973 4.0086 4.0086 4.2296 4.2296 12.3056 12.3056 12.4299 12.4299 12.4953 12.4953 12.6921 12.6921 13.0524 13.0524 13.2349 13.2349 15.4138 15.4138 15.8279 15.8279 17.3704 17.3704 17.7269 17.7269 k = 0.0490 0.0490-0.0000 ( 2277 PWs) bands (ev): -13.4385 -13.4385 -12.1402 -12.1402 -2.6613 -2.6613 -2.4132 -2.4132 -0.3955 -0.3955 0.8365 0.8365 1.8207 1.8207 3.8275 3.8275 4.0051 4.0051 4.2092 4.2092 12.3327 12.3327 12.4396 12.4396 12.4998 12.4998 12.6911 12.6911 13.0769 13.0769 13.2493 13.2493 15.3677 15.3677 15.8182 15.8182 17.3266 17.3266 17.7224 17.7224 k = 0.0392 0.0392-0.0000 ( 2277 PWs) bands (ev): -13.4439 -13.4439 -12.1347 -12.1347 -2.6421 -2.6421 -2.4035 -2.4035 -0.4193 -0.4193 0.8136 0.8136 1.8241 1.8241 3.8558 3.8558 4.0032 4.0032 4.1883 4.1883 12.3587 12.3587 12.4477 12.4477 12.5000 12.5000 12.6903 12.6903 13.0958 13.0958 13.2629 13.2629 15.3287 15.3287 15.8112 15.8112 17.2904 17.2904 17.7186 17.7186 k = 0.0294 0.0294-0.0000 ( 2277 PWs) bands (ev): -13.4482 -13.4482 -12.1304 -12.1304 -2.6268 -2.6268 -2.3961 -2.3961 -0.4381 -0.4381 0.7956 0.7956 1.8268 1.8268 3.8807 3.8807 4.0031 4.0031 4.1680 4.1680 12.3830 12.3830 12.4541 12.4541 12.4959 12.4959 12.6898 12.6898 13.1094 13.1094 13.2748 13.2748 15.2977 15.2977 15.8063 15.8063 17.2621 17.2621 17.7156 17.7156 k = 0.0196 0.0196-0.0000 ( 2281 PWs) bands (ev): -13.4512 -13.4512 -12.1272 -12.1272 -2.6157 -2.6157 -2.3908 -2.3908 -0.4516 -0.4516 0.7828 0.7828 1.8287 1.8287 3.9004 3.9004 4.0048 4.0048 4.1498 4.1498 12.4050 12.4050 12.4587 12.4587 12.4883 12.4883 12.6896 12.6896 13.1187 13.1187 13.2840 13.2840 15.2752 15.2752 15.8030 15.8030 17.2418 17.2418 17.7135 17.7135 k = 0.0098 0.0098-0.0000 ( 2291 PWs) bands (ev): -13.4530 -13.4530 -12.1254 -12.1254 -2.6090 -2.6090 -2.3876 -2.3876 -0.4598 -0.4598 0.7750 0.7750 1.8299 1.8299 3.9129 3.9129 4.0076 4.0076 4.1365 4.1365 12.4228 12.4228 12.4615 12.4615 12.4791 12.4791 12.6895 12.6895 13.1239 13.1239 13.2899 13.2899 15.2616 15.2616 15.8011 15.8011 17.2295 17.2295 17.7122 17.7122 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -13.4536 -13.4536 -12.1247 -12.1247 -2.6067 -2.6067 -2.3865 -2.3865 -0.4626 -0.4626 0.7724 0.7724 1.8303 1.8303 3.9172 3.9172 4.0090 4.0090 4.1314 4.1314 12.4308 12.4308 12.4624 12.4624 12.4740 12.4740 12.6896 12.6896 13.1257 13.1257 13.2919 13.2919 15.2570 15.2570 15.8005 15.8005 17.2254 17.2254 17.7117 17.7117 k = 0.0000 0.0000 0.0000 ( 2297 PWs) bands (ev): -13.4536 -13.4536 -12.1247 -12.1247 -2.6067 -2.6067 -2.3865 -2.3865 -0.4626 -0.4626 0.7724 0.7724 1.8303 1.8303 3.9172 3.9172 4.0090 4.0090 4.1314 4.1314 12.4308 12.4308 12.4624 12.4624 12.4740 12.4740 12.6896 12.6896 13.1257 13.1257 13.2919 13.2919 15.2570 15.2570 15.8005 15.8005 17.2254 17.2254 17.7117 17.7117 k = 0.0000 0.0000 0.0138 ( 2305 PWs) bands (ev): -13.4530 -13.4530 -12.1243 -12.1243 -2.6064 -2.6064 -2.3876 -2.3876 -0.4620 -0.4620 0.7732 0.7732 1.8300 1.8300 3.9176 3.9176 4.0068 4.0068 4.1285 4.1285 12.4291 12.4291 12.4577 12.4577 12.4716 12.4716 12.6862 12.6862 13.1247 13.1247 13.2910 13.2910 15.2580 15.2580 15.8056 15.8056 17.2312 17.2312 17.7173 17.7173 k = 0.0000 0.0000 0.0275 ( 2289 PWs) bands (ev): -13.4512 -13.4512 -12.1232 -12.1232 -2.6055 -2.6055 -2.3909 -2.3909 -0.4604 -0.4604 0.7756 0.7756 1.8292 1.8292 3.9186 3.9186 4.0002 4.0002 4.1198 4.1198 12.4240 12.4240 12.4438 12.4438 12.4646 12.4646 12.6763 12.6763 13.1220 13.1220 13.2883 13.2883 15.2611 15.2611 15.8210 15.8210 17.2485 17.2485 17.7342 17.7342 k = 0.0000 0.0000 0.0413 ( 2289 PWs) bands (ev): -13.4482 -13.4482 -12.1213 -12.1213 -2.6041 -2.6041 -2.3963 -2.3963 -0.4576 -0.4576 0.7795 0.7795 1.8278 1.8278 3.9204 3.9204 3.9891 3.9891 4.1055 4.1055 12.4143 12.4143 12.4208 12.4208 12.4540 12.4540 12.6597 12.6597 13.1173 13.1173 13.2839 13.2839 15.2661 15.2661 15.8467 15.8467 17.2770 17.2770 17.7623 17.7623 k = 0.0000 0.0000 0.0550 ( 2289 PWs) bands (ev): -13.4440 -13.4440 -12.1186 -12.1186 -2.6020 -2.6020 -2.4039 -2.4039 -0.4538 -0.4538 0.7850 0.7850 1.8259 1.8259 3.9229 3.9229 3.9734 3.9734 4.0861 4.0861 12.3891 12.3891 12.3987 12.3987 12.4413 12.4413 12.6369 12.6369 13.1108 13.1108 13.2776 13.2776 15.2732 15.2732 15.8824 15.8824 17.3164 17.3164 17.8019 17.8019 k = 0.0000 0.0000 0.0688 ( 2273 PWs) bands (ev): -13.4386 -13.4386 -12.1151 -12.1151 -2.5993 -2.5993 -2.4137 -2.4137 -0.4489 -0.4489 0.7921 0.7921 1.8234 1.8234 3.9261 3.9261 3.9528 3.9528 4.0622 4.0622 12.3492 12.3492 12.3761 12.3761 12.4277 12.4277 12.6079 12.6079 13.1024 13.1024 13.2694 13.2694 15.2822 15.2822 15.9281 15.9281 17.3662 17.3662 17.8530 17.8530 k = 0.0000 0.0000 0.0825 ( 2277 PWs) bands (ev): -13.4320 -13.4320 -12.1110 -12.1110 -2.5961 -2.5961 -2.4256 -2.4256 -0.4429 -0.4429 0.8007 0.8007 1.8203 1.8203 3.9268 3.9268 3.9300 3.9300 4.0347 4.0347 12.3018 12.3018 12.3465 12.3465 12.4130 12.4130 12.5732 12.5732 13.0919 13.0919 13.2591 13.2591 15.2933 15.2933 15.9837 15.9837 17.4257 17.4257 17.9158 17.9158 k = 0.0000 0.0000 0.0963 ( 2277 PWs) bands (ev): -13.4242 -13.4242 -12.1061 -12.1061 -2.5924 -2.5924 -2.4397 -2.4397 -0.4359 -0.4359 0.8108 0.8108 1.8167 1.8167 3.8950 3.8950 3.9345 3.9345 4.0047 4.0047 12.2474 12.2474 12.3106 12.3106 12.3967 12.3967 12.5329 12.5329 13.0795 13.0795 13.2468 13.2468 15.3063 15.3063 16.0489 16.0489 17.4942 17.4942 17.9904 17.9904 k = 0.0000 0.0000 0.1101 ( 2277 PWs) bands (ev): -13.4154 -13.4154 -12.1005 -12.1005 -2.5880 -2.5880 -2.4559 -2.4559 -0.4280 -0.4280 0.8225 0.8225 1.8125 1.8125 3.8567 3.8567 3.9396 3.9396 3.9734 3.9734 12.1868 12.1868 12.2692 12.2692 12.3781 12.3781 12.4875 12.4875 13.0650 13.0650 13.2323 13.2323 15.3213 15.3213 16.1235 16.1235 17.5711 17.5711 18.0768 18.0768 k = 0.0000 0.0000 0.1238 ( 2273 PWs) bands (ev): -13.4054 -13.4054 -12.0942 -12.0942 -2.5832 -2.5832 -2.4743 -2.4743 -0.4190 -0.4190 0.8356 0.8356 1.8077 1.8077 3.8119 3.8119 3.9416 3.9416 3.9453 3.9453 12.1206 12.1206 12.2229 12.2229 12.3568 12.3568 12.4373 12.4373 13.0485 13.0485 13.2157 13.2157 15.3382 15.3382 16.2075 16.2075 17.6556 17.6556 18.1750 18.1750 k = 0.0000 0.0000 0.1376 ( 2273 PWs) bands (ev): -13.3943 -13.3943 -12.0873 -12.0873 -2.5778 -2.5778 -2.4947 -2.4947 -0.4092 -0.4092 0.8502 0.8502 1.8024 1.8024 3.7608 3.7608 3.9098 3.9098 3.9516 3.9516 12.0496 12.0496 12.1722 12.1722 12.3326 12.3326 12.3827 12.3827 13.0300 13.0300 13.1969 13.1969 15.3570 15.3570 16.3005 16.3005 17.7470 17.7470 18.2851 18.2851 k = 0.0000 0.0000 0.1513 ( 2269 PWs) bands (ev): -13.3821 -13.3821 -12.0797 -12.0797 -2.5719 -2.5719 -2.5172 -2.5172 -0.3985 -0.3985 0.8662 0.8662 1.7964 1.7964 3.7038 3.7038 3.8781 3.8781 3.9584 3.9584 11.9744 11.9744 12.1173 12.1173 12.3053 12.3053 12.3240 12.3240 13.0095 13.0095 13.1760 13.1760 15.3778 15.3778 16.4024 16.4024 17.8445 17.8445 18.4066 18.4066 k = 0.0000 0.0000 0.1651 ( 2277 PWs) bands (ev): -13.3690 -13.3690 -12.0715 -12.0715 -2.5656 -2.5656 -2.5418 -2.5418 -0.3869 -0.3869 0.8837 0.8837 1.7899 1.7899 3.6418 3.6418 3.8467 3.8467 3.9657 3.9657 11.8958 11.8958 12.0589 12.0589 12.2616 12.2616 12.2747 12.2747 12.9870 12.9870 13.1528 13.1528 15.4003 15.4003 16.5129 16.5129 17.9475 17.9475 18.5395 18.5395 k = 0.0000 0.0000 0.1789 ( 2265 PWs) bands (ev): -13.3548 -13.3548 -12.0628 -12.0628 -2.5683 -2.5683 -2.5588 -2.5588 -0.3746 -0.3746 0.9025 0.9025 1.7829 1.7829 3.5753 3.5753 3.8156 3.8156 3.9735 3.9735 11.8142 11.8142 11.9971 11.9971 12.1959 12.1959 12.2410 12.2410 12.9626 12.9626 13.1276 13.1276 15.4248 15.4248 16.6316 16.6316 18.0553 18.0553 18.6834 18.6834 k = 0.0000 0.0000 0.1926 ( 2273 PWs) bands (ev): -13.3396 -13.3396 -12.0535 -12.0535 -2.5967 -2.5967 -2.5516 -2.5516 -0.3616 -0.3616 0.9226 0.9226 1.7752 1.7752 3.5051 3.5051 3.7849 3.7849 3.9816 3.9816 11.7303 11.7303 11.9324 11.9324 12.1273 12.1273 12.2041 12.2041 12.9365 12.9365 13.1003 13.1003 15.4510 15.4510 16.7584 16.7584 18.1672 18.1672 18.8378 18.8378 k = 0.0000 0.0000 0.2064 ( 2269 PWs) bands (ev): -13.3236 -13.3236 -12.0437 -12.0437 -2.6270 -2.6270 -2.5439 -2.5439 -0.3480 -0.3480 0.9439 0.9439 1.7671 1.7671 3.4318 3.4318 3.7548 3.7548 3.9901 3.9901 11.6446 11.6446 11.8652 11.8652 12.0561 12.0561 12.1641 12.1641 12.9086 12.9086 13.0711 13.0711 15.4789 15.4789 16.8928 16.8928 18.2828 18.2828 19.0023 19.0023 k = 0.0000 0.0000 0.2201 ( 2269 PWs) bands (ev): -13.3066 -13.3066 -12.0335 -12.0335 -2.6592 -2.6592 -2.5359 -2.5359 -0.3338 -0.3338 0.9666 0.9666 1.7585 1.7585 3.3559 3.3559 3.7254 3.7254 3.9989 3.9989 11.5576 11.5576 11.7957 11.7957 11.9828 11.9828 12.1212 12.1212 12.8791 12.8791 13.0399 13.0399 15.5085 15.5085 17.0345 17.0345 18.4014 18.4014 19.1763 19.1763 k = 0.0000 0.0000 0.2339 ( 2269 PWs) bands (ev): -13.2888 -13.2888 -12.0228 -12.0228 -2.6930 -2.6930 -2.5275 -2.5275 -0.3191 -0.3191 0.9904 0.9904 1.7494 1.7494 3.2779 3.2779 3.6968 3.6968 4.0080 4.0080 11.4697 11.4697 11.7245 11.7245 11.9076 11.9076 12.0756 12.0756 12.8482 12.8482 13.0070 13.0070 15.5398 15.5398 17.1830 17.1830 18.5226 18.5226 19.3593 19.3593 k = 0.0000 0.0000 0.2476 ( 2265 PWs) bands (ev): -13.2703 -13.2703 -12.0118 -12.0118 -2.7284 -2.7284 -2.5188 -2.5188 -0.3041 -0.3041 1.0153 1.0153 1.7399 1.7399 3.1984 3.1984 3.6692 3.6692 4.0172 4.0172 11.3813 11.3813 11.6517 11.6517 11.8309 11.8309 12.0275 12.0275 12.8158 12.8158 12.9724 12.9724 15.5727 15.5727 17.3378 17.3378 18.6458 18.6458 19.5507 19.5507 k = 0.0000 0.0000 0.2614 ( 2261 PWs) bands (ev): -13.2510 -13.2510 -12.0005 -12.0005 -2.7654 -2.7654 -2.5098 -2.5098 -0.2887 -0.2887 1.0413 1.0413 1.7300 1.7300 3.1179 3.1179 3.6428 3.6428 4.0265 4.0265 11.2929 11.2929 11.5778 11.5778 11.7531 11.7531 11.9772 11.9772 12.7823 12.7823 12.9362 12.9362 15.6071 15.6071 17.4983 17.4983 18.7706 18.7706 19.7497 19.7497 k = 0.0000 0.0000 0.2752 ( 2261 PWs) bands (ev): -13.2310 -13.2310 -11.9888 -11.9888 -2.8038 -2.8038 -2.5005 -2.5005 -0.2731 -0.2731 1.0682 1.0682 1.7199 1.7199 3.0368 3.0368 3.6176 3.6176 4.0359 4.0359 11.2047 11.2047 11.5030 11.5030 11.6746 11.6746 11.9250 11.9250 12.7476 12.7476 12.8986 12.8986 15.6430 15.6430 17.6641 17.6641 18.8966 18.8966 19.9557 19.9557 k = 0.0000 0.0000 0.2889 ( 2257 PWs) bands (ev): -13.2105 -13.2105 -11.9769 -11.9769 -2.8434 -2.8434 -2.4910 -2.4910 -0.2575 -0.2575 1.0961 1.0961 1.7095 1.7095 2.9556 2.9556 3.5937 3.5937 4.0453 4.0453 11.1170 11.1170 11.4277 11.4277 11.5956 11.5956 11.8712 11.8712 12.7119 12.7119 12.8597 12.8597 15.6803 15.6803 17.8345 17.8345 19.0233 19.0233 20.1678 20.1678 k = 0.0000 0.0000 0.3027 ( 2253 PWs) bands (ev): -13.1894 -13.1894 -11.9649 -11.9649 -2.8841 -2.8841 -2.4813 -2.4813 -0.2419 -0.2419 1.1249 1.1249 1.6989 1.6989 2.8747 2.8747 3.5712 3.5712 4.0546 4.0546 11.0303 11.0303 11.3522 11.3522 11.5165 11.5165 11.8160 11.8160 12.6754 12.6754 12.8196 12.8196 15.7188 15.7188 18.0088 18.0088 19.1504 19.1504 20.3850 20.3850 k = 0.0000 0.0000 0.3164 ( 2253 PWs) bands (ev): -13.1678 -13.1678 -11.9527 -11.9527 -2.9258 -2.9258 -2.4715 -2.4715 -0.2264 -0.2264 1.1544 1.1544 1.6882 1.6882 2.7946 2.7946 3.5500 3.5500 4.0639 4.0639 10.9446 10.9446 11.2767 11.2767 11.4376 11.4376 11.7599 11.7599 12.6382 12.6382 12.7785 12.7785 15.7586 15.7586 18.1863 18.1863 19.2775 19.2775 20.6055 20.6056 k = 0.0000 0.0000 0.3302 ( 2253 PWs) bands (ev): -13.1458 -13.1458 -11.9404 -11.9404 -2.9683 -2.9683 -2.4615 -2.4615 -0.2112 -0.2112 1.1846 1.1846 1.6774 1.6774 2.7156 2.7156 3.5302 3.5302 4.0729 4.0729 10.8603 10.8603 11.2017 11.2017 11.3592 11.3592 11.7031 11.7031 12.6004 12.6004 12.7367 12.7367 15.7995 15.7995 18.3663 18.3663 19.4042 19.4042 20.8263 20.8263 k = 0.0000 0.0000 0.3439 ( 2253 PWs) bands (ev): -13.1235 -13.1235 -11.9281 -11.9281 -3.0115 -3.0115 -2.4515 -2.4515 -0.1964 -0.1964 1.2153 1.2153 1.6667 1.6667 2.6382 2.6382 3.5118 3.5118 4.0816 4.0816 10.7776 10.7776 11.1272 11.1272 11.2816 11.2816 11.6458 11.6458 12.5623 12.5623 12.6941 12.6941 15.8414 15.8414 18.5481 18.5481 19.5302 19.5302 21.0380 21.0380 k = 0.0000 0.0000 0.3577 ( 2253 PWs) bands (ev): -13.1010 -13.1010 -11.9158 -11.9158 -3.0550 -3.0550 -2.4414 -2.4414 -0.1821 -0.1821 1.2466 1.2466 1.6560 1.6560 2.5626 2.5626 3.4947 3.4947 4.0901 4.0901 10.6967 10.6967 11.0537 11.0537 11.2051 11.2051 11.5885 11.5885 12.5239 12.5239 12.6510 12.6510 15.8843 15.8843 18.7309 18.7309 19.6551 19.6551 21.2069 21.2069 k = 0.0000 0.0000 0.3715 ( 2265 PWs) bands (ev): -13.0783 -13.0783 -11.9036 -11.9036 -3.0989 -3.0989 -2.4313 -2.4313 -0.1685 -0.1685 1.2782 1.2782 1.6455 1.6455 2.4893 2.4893 3.4790 3.4790 4.0982 4.0982 10.6178 10.6178 10.9814 10.9814 11.1299 11.1299 11.5314 11.5314 12.4854 12.4854 12.6077 12.6077 15.9279 15.9279 18.9138 18.9138 19.7786 19.7786 21.2907 21.2907 k = 0.0000 0.0000 0.3852 ( 2273 PWs) bands (ev): -13.0555 -13.0555 -11.8915 -11.8915 -3.1428 -3.1428 -2.4213 -2.4213 -0.1556 -0.1556 1.3101 1.3101 1.6352 1.6352 2.4185 2.4185 3.4644 3.4644 4.1059 4.1059 10.5411 10.5411 10.9105 10.9105 11.0563 11.0563 11.4747 11.4747 12.4469 12.4469 12.5641 12.5641 15.9721 15.9721 19.0960 19.0960 19.9003 19.9003 21.3281 21.3281 k = 0.0000 0.0000 0.3990 ( 2273 PWs) bands (ev): -13.0327 -13.0327 -11.8796 -11.8796 -3.1866 -3.1866 -2.4113 -2.4113 -0.1437 -0.1437 1.3422 1.3422 1.6252 1.6252 2.3505 2.3505 3.4511 3.4511 4.1131 4.1131 10.4667 10.4667 10.8413 10.8413 10.9846 10.9846 11.4187 11.4187 12.4087 12.4087 12.5207 12.5207 16.0168 16.0168 19.2768 19.2768 20.0200 20.0200 21.3519 21.3519 k = 0.0000 0.0000 0.4127 ( 2273 PWs) bands (ev): -13.0100 -13.0100 -11.8679 -11.8679 -3.2301 -3.2301 -2.4015 -2.4015 -0.1328 -0.1328 1.3743 1.3743 1.6156 1.6156 2.2856 2.2856 3.4388 3.4388 4.1198 4.1198 10.3948 10.3948 10.7739 10.7739 10.9149 10.9149 11.3638 11.3638 12.3709 12.3709 12.4775 12.4775 16.0618 16.0618 19.4553 19.4553 20.1373 20.1373 21.3708 21.3708 k = 0.0000 0.0000 0.4265 ( 2265 PWs) bands (ev): -12.9876 -12.9876 -11.8565 -11.8565 -3.2731 -3.2731 -2.3918 -2.3918 -0.1230 -0.1230 1.4063 1.4063 1.6064 1.6064 2.2240 2.2240 3.4276 3.4276 4.1260 4.1260 10.3255 10.3255 10.7085 10.7085 10.8476 10.8476 11.3100 11.3100 12.3337 12.3337 12.4347 12.4347 16.1070 16.1070 19.6306 19.6306 20.2519 20.2519 21.3874 21.3874 k = 0.0000 0.0000 0.4403 ( 2265 PWs) bands (ev): -12.9654 -12.9654 -11.8455 -11.8455 -3.3153 -3.3153 -2.3823 -2.3823 -0.1144 -0.1144 1.4380 1.4380 1.5977 1.5977 2.1659 2.1659 3.4174 3.4174 4.1316 4.1316 10.2590 10.2590 10.6455 10.6455 10.7827 10.7827 11.2576 11.2576 12.2971 12.2971 12.3925 12.3925 16.1522 16.1522 19.8019 19.8019 20.3634 20.3634 21.4025 21.4025 k = 0.0000 0.0000 0.4540 ( 2253 PWs) bands (ev): -12.9436 -12.9436 -11.8348 -11.8348 -3.3566 -3.3566 -2.3731 -2.3731 -0.1071 -0.1071 1.4693 1.4693 1.5895 1.5895 2.1112 2.1112 3.4080 3.4080 4.1366 4.1366 10.1954 10.1954 10.5849 10.5849 10.7205 10.7205 11.2069 11.2069 12.2614 12.2614 12.3512 12.3512 16.1971 16.1971 19.9685 19.9685 20.4715 20.4715 21.4167 21.4167 k = 0.0000 0.0000 0.4678 ( 2261 PWs) bands (ev): -12.9223 -12.9223 -11.8245 -11.8245 -3.3967 -3.3967 -2.3641 -2.3641 -0.1011 -0.1011 1.5001 1.5001 1.5820 1.5820 2.0602 2.0602 3.3995 3.3995 4.1411 4.1411 10.1349 10.1349 10.5269 10.5269 10.6611 10.6611 11.1580 11.1580 12.2267 12.2267 12.3109 12.3109 16.2415 16.2415 20.1296 20.1296 20.5758 20.5758 21.4300 21.4300 k = 0.0000 0.0000 0.4815 ( 2253 PWs) bands (ev): -12.9016 -12.9016 -11.8147 -11.8147 -3.4356 -3.4356 -2.3554 -2.3554 -0.0964 -0.0964 1.5302 1.5302 1.5753 1.5753 2.0129 2.0129 3.3917 3.3917 4.1449 4.1449 10.0774 10.0774 10.4717 10.4717 10.6048 10.6048 11.1112 11.1112 12.1932 12.1932 12.2718 12.2718 16.2853 16.2853 20.2845 20.2845 20.6760 20.6760 21.4427 21.4427 k = 0.0000 0.0000 0.4953 ( 2253 PWs) bands (ev): -12.8816 -12.8816 -11.8054 -11.8054 -3.4729 -3.4729 -2.3472 -2.3472 -0.0930 -0.0930 1.5595 1.5595 1.5693 1.5693 1.9692 1.9692 3.3846 3.3846 4.1482 4.1482 10.0232 10.0232 10.4195 10.4195 10.5516 10.5516 11.0665 11.0665 12.1611 12.1611 12.2342 12.2342 16.3281 16.3281 20.4325 20.4325 20.7719 20.7719 21.4547 21.4547 k = 0.0000 0.0000 0.5090 ( 2253 PWs) bands (ev): -12.8625 -12.8625 -11.7966 -11.7966 -3.5085 -3.5085 -2.3393 -2.3393 -0.0909 -0.0909 1.5642 1.5642 1.5877 1.5877 1.9290 1.9290 3.3782 3.3782 4.1509 4.1509 9.9724 9.9724 10.3703 10.3703 10.5016 10.5016 11.0243 11.0243 12.1304 12.1304 12.1981 12.1981 16.3698 16.3698 20.5730 20.5730 20.8630 20.8630 21.4660 21.4660 k = 0.0000 0.0000 0.5228 ( 2253 PWs) bands (ev): -12.8442 -12.8442 -11.7884 -11.7884 -3.5422 -3.5422 -2.3318 -2.3318 -0.0899 -0.0899 1.5601 1.5601 1.6147 1.6147 1.8922 1.8922 3.3723 3.3723 4.1531 4.1531 9.9249 9.9249 10.3243 10.3243 10.4550 10.4550 10.9845 10.9845 12.1014 12.1014 12.1638 12.1638 16.4100 16.4100 20.7054 20.7054 20.9489 20.9489 21.4767 21.4767 k = 0.0000 0.0000 0.5366 ( 2245 PWs) bands (ev): -12.8269 -12.8269 -11.7808 -11.7808 -3.5740 -3.5740 -2.3248 -2.3248 -0.0899 -0.0899 1.5569 1.5569 1.6404 1.6404 1.8587 1.8587 3.3671 3.3671 4.1548 4.1548 9.8810 9.8810 10.2816 10.2816 10.4119 10.4119 10.9474 10.9474 12.0741 12.0741 12.1315 12.1315 16.4484 16.4484 20.8292 20.8292 21.0296 21.0296 21.4866 21.4866 k = 0.0000 0.0000 0.5503 ( 2245 PWs) bands (ev): -12.8108 -12.8108 -11.7737 -11.7737 -3.6035 -3.6035 -2.3183 -2.3183 -0.0908 -0.0908 1.5548 1.5548 1.6645 1.6645 1.8282 1.8282 3.3623 3.3623 4.1560 4.1560 9.8406 9.8406 10.2423 10.2423 10.3723 10.3723 10.9131 10.9131 12.0487 12.0487 12.1014 12.1014 16.4848 16.4848 20.9439 20.9439 21.1043 21.1043 21.4958 21.4958 k = 0.0000 0.0000 0.5641 ( 2245 PWs) bands (ev): -12.7959 -12.7959 -11.7673 -11.7673 -3.6306 -3.6306 -2.3123 -2.3123 -0.0923 -0.0923 1.5538 1.5538 1.6870 1.6870 1.8006 1.8006 3.3580 3.3580 4.1569 4.1569 9.8038 9.8038 10.2065 10.2065 10.3363 10.3363 10.8816 10.8816 12.0253 12.0253 12.0735 12.0735 16.5189 16.5189 21.0491 21.0491 21.1730 21.1730 21.5043 21.5043 k = 0.0000 0.0000 0.5778 ( 2246 PWs) bands (ev): -12.7822 -12.7822 -11.7615 -11.7615 -3.6553 -3.6553 -2.3069 -2.3069 -0.0945 -0.0945 1.5537 1.5537 1.7076 1.7076 1.7758 1.7758 3.3543 3.3543 4.1574 4.1574 9.7708 9.7708 10.1743 10.1743 10.3040 10.3040 10.8532 10.8532 12.0041 12.0041 12.0481 12.0481 16.5504 16.5504 21.1443 21.1443 21.2352 21.2352 21.5120 21.5120 k = 0.0000 0.0000 0.5916 ( 2250 PWs) bands (ev): -12.7699 -12.7699 -11.7564 -11.7564 -3.6774 -3.6774 -2.3020 -2.3020 -0.0969 -0.0969 1.5547 1.5547 1.7262 1.7262 1.7536 1.7536 3.3510 3.3510 4.1577 4.1577 9.7415 9.7415 10.1457 10.1457 10.2754 10.2754 10.8279 10.8279 11.9850 11.9850 12.0254 12.0254 16.5790 16.5790 21.2293 21.2293 21.2908 21.2908 21.5189 21.5189 k = 0.0000 0.0000 0.6053 ( 2242 PWs) bands (ev): -12.7591 -12.7591 -11.7520 -11.7520 -3.6968 -3.6968 -2.2977 -2.2977 -0.0995 -0.0995 1.5566 1.5566 1.7338 1.7338 1.7426 1.7426 3.3481 3.3481 4.1578 4.1578 9.7160 9.7160 10.1208 10.1208 10.2506 10.2506 10.8058 10.8058 11.9684 11.9684 12.0054 12.0054 16.6044 16.6044 21.3036 21.3036 21.3394 21.3394 21.5250 21.5250 k = 0.0000 0.0000 0.6191 ( 2234 PWs) bands (ev): -12.7499 -12.7499 -11.7482 -11.7482 -3.7133 -3.7133 -2.2941 -2.2941 -0.1020 -0.1020 1.5592 1.5592 1.7164 1.7164 1.7568 1.7568 3.3457 3.3457 4.1577 4.1577 9.6944 9.6944 10.0996 10.0996 10.2296 10.2296 10.7870 10.7870 11.9541 11.9541 11.9882 11.9882 16.6264 16.6264 21.3671 21.3671 21.3806 21.3806 21.5301 21.5301 k = 0.0000 0.0000 0.6329 ( 2238 PWs) bands (ev): -12.7422 -12.7422 -11.7451 -11.7451 -3.7270 -3.7270 -2.2911 -2.2911 -0.1043 -0.1043 1.5623 1.5623 1.7015 1.7015 1.7686 1.7686 3.3437 3.3437 4.1576 4.1576 9.6767 9.6767 10.0823 10.0823 10.2123 10.2123 10.7715 10.7715 11.9424 11.9424 11.9741 11.9741 16.6448 16.6448 21.4144 21.4144 21.4193 21.4193 21.5344 21.5344 k = 0.0000 0.0000 0.6466 ( 2238 PWs) bands (ev): -12.7362 -12.7362 -11.7427 -11.7427 -3.7377 -3.7377 -2.2888 -2.2888 -0.1063 -0.1063 1.5656 1.5656 1.6892 1.6892 1.7778 1.7778 3.3422 3.3422 4.1574 4.1574 9.6628 9.6628 10.0687 10.0687 10.1989 10.1989 10.7594 10.7594 11.9332 11.9332 11.9630 11.9630 16.6592 16.6592 21.4407 21.4407 21.4602 21.4602 21.5377 21.5377 k = 0.0000 0.0000 0.6604 ( 2238 PWs) bands (ev): -12.7319 -12.7319 -11.7410 -11.7410 -3.7453 -3.7453 -2.2871 -2.2871 -0.1078 -0.1078 1.5685 1.5685 1.6799 1.6799 1.7845 1.7845 3.3411 3.3411 4.1572 4.1572 9.6529 9.6529 10.0591 10.0591 10.1893 10.1893 10.7508 10.7508 11.9265 11.9265 11.9550 11.9550 16.6697 16.6697 21.4594 21.4594 21.4895 21.4895 21.5401 21.5401 k = 0.0000 0.0000 0.6741 ( 2238 PWs) bands (ev): -12.7292 -12.7292 -11.7399 -11.7399 -3.7500 -3.7500 -2.2861 -2.2861 -0.1088 -0.1088 1.5706 1.5706 1.6740 1.6740 1.7885 1.7885 3.3405 3.3405 4.1571 4.1571 9.6470 9.6470 10.0532 10.0532 10.1835 10.1835 10.7455 10.7455 11.9226 11.9226 11.9502 11.9502 16.6761 16.6761 21.4705 21.4705 21.5072 21.5072 21.5415 21.5415 k = 0.0000 0.0000 0.6879 ( 2230 PWs) bands (ev): -12.7284 -12.7284 -11.7396 -11.7396 -3.7515 -3.7515 -2.2857 -2.2857 -0.1091 -0.1091 1.5714 1.5714 1.6720 1.6720 1.7898 1.7898 3.3402 3.3402 4.1571 4.1571 9.6450 9.6450 10.0513 10.0513 10.1816 10.1816 10.7438 10.7438 11.9212 11.9212 11.9486 11.9486 16.6782 16.6782 21.4743 21.4743 21.5130 21.5130 21.5420 21.5420 k = 0.0000 0.0000 0.6879 ( 2230 PWs) bands (ev): -12.7284 -12.7284 -11.7396 -11.7396 -3.7515 -3.7515 -2.2857 -2.2857 -0.1091 -0.1091 1.5714 1.5714 1.6720 1.6720 1.7898 1.7898 3.3402 3.3402 4.1571 4.1571 9.6450 9.6450 10.0513 10.0513 10.1816 10.1816 10.7438 10.7438 11.9212 11.9212 11.9486 11.9486 16.6782 16.6782 21.4743 21.4743 21.5130 21.5130 21.5420 21.5420 k = 0.0000 0.0139 0.6879 ( 2240 PWs) bands (ev): -12.7279 -12.7279 -11.7401 -11.7401 -3.7511 -3.7511 -2.2863 -2.2863 -0.1089 -0.1089 1.5692 1.5692 1.6723 1.6723 1.7908 1.7908 3.3392 3.3392 4.1561 4.1561 9.6475 9.6475 10.0510 10.0510 10.1797 10.1797 10.7509 10.7509 11.9215 11.9215 11.9491 11.9491 16.6824 16.6824 21.4729 21.4729 21.4999 21.4999 21.5501 21.5501 k = 0.0000 0.0278 0.6879 ( 2244 PWs) bands (ev): -12.7265 -12.7265 -11.7414 -11.7414 -3.7498 -3.7498 -2.2881 -2.2881 -0.1084 -0.1084 1.5629 1.5629 1.6729 1.6729 1.7935 1.7935 3.3360 3.3360 4.1532 4.1532 9.6548 9.6548 10.0501 10.0501 10.1746 10.1746 10.7716 10.7716 11.9206 11.9206 11.9523 11.9523 16.6951 16.6951 21.4627 21.4627 21.4809 21.4809 21.5600 21.5600 k = 0.0000 0.0417 0.6879 ( 2242 PWs) bands (ev): -12.7241 -12.7241 -11.7436 -11.7436 -3.7478 -3.7478 -2.2911 -2.2911 -0.1076 -0.1076 1.5529 1.5529 1.6735 1.6735 1.7981 1.7981 3.3307 3.3307 4.1484 4.1484 9.6670 9.6670 10.0490 10.0490 10.1674 10.1674 10.8045 10.8045 11.9158 11.9158 11.9609 11.9609 16.7162 16.7162 21.4322 21.4322 21.4743 21.4743 21.5662 21.5662 k = 0.0000 0.0556 0.6879 ( 2242 PWs) bands (ev): -12.7208 -12.7208 -11.7468 -11.7468 -3.7448 -3.7448 -2.2954 -2.2954 -0.1063 -0.1063 1.5399 1.5399 1.6736 1.6736 1.8045 1.8045 3.3232 3.3232 4.1415 4.1415 9.6840 9.6840 10.0482 10.0482 10.1593 10.1593 10.8477 10.8477 11.9064 11.9064 11.9756 11.9756 16.7455 16.7455 21.3922 21.3922 21.4699 21.4699 21.5700 21.5700 k = 0.0000 0.0694 0.6879 ( 2242 PWs) bands (ev): -12.7165 -12.7165 -11.7508 -11.7508 -3.7410 -3.7410 -2.3009 -2.3009 -0.1047 -0.1047 1.5245 1.5245 1.6729 1.6729 1.8126 1.8126 3.3136 3.3136 4.1326 4.1326 9.7059 9.7059 10.0484 10.0484 10.1516 10.1516 10.8992 10.8992 11.8930 11.8930 11.9956 11.9956 16.7830 16.7830 21.3457 21.3457 21.4644 21.4644 21.5728 21.5728 k = 0.0000 0.0833 0.6879 ( 2238 PWs) bands (ev): -12.7114 -12.7114 -11.7557 -11.7557 -3.7363 -3.7363 -2.3077 -2.3077 -0.1027 -0.1027 1.5070 1.5070 1.6713 1.6713 1.8224 1.8224 3.3017 3.3017 4.1215 4.1215 9.7325 9.7325 10.0504 10.0504 10.1449 10.1449 10.9573 10.9573 11.8763 11.8763 12.0203 12.0203 16.8285 16.8285 21.2929 21.2929 21.4562 21.4562 21.5752 21.5752 k = 0.0000 0.0972 0.6879 ( 2242 PWs) bands (ev): -12.7053 -12.7053 -11.7614 -11.7614 -3.7308 -3.7308 -2.3159 -2.3159 -0.1002 -0.1002 1.4879 1.4879 1.6687 1.6687 1.8339 1.8339 3.2875 3.2875 4.1081 4.1081 9.7637 9.7637 10.0552 10.0552 10.1398 10.1398 11.0206 11.0206 11.8563 11.8563 12.0493 12.0493 16.8818 16.8818 21.2340 21.2340 21.4417 21.4417 21.5671 21.5671 k = 0.0000 0.1111 0.6879 ( 2238 PWs) bands (ev): -12.6983 -12.6983 -11.7680 -11.7680 -3.7243 -3.7243 -2.3254 -2.3254 -0.0972 -0.0972 1.4672 1.4672 1.6653 1.6653 1.8469 1.8469 3.2711 3.2711 4.0925 4.0925 9.7995 9.7995 10.0633 10.0633 10.1368 10.1368 11.0878 11.0878 11.8334 11.8334 12.0821 12.0821 16.9426 16.9426 21.1693 21.1693 21.4097 21.4097 21.5106 21.5106 k = 0.0000 0.1250 0.6879 ( 2238 PWs) bands (ev): -12.6904 -12.6904 -11.7755 -11.7755 -3.7169 -3.7169 -2.3364 -2.3364 -0.0937 -0.0937 1.4453 1.4453 1.6614 1.6614 1.8616 1.8616 3.2523 3.2523 4.0744 4.0744 9.8398 9.8398 10.0746 10.0746 10.1367 10.1367 11.1579 11.1579 11.8077 11.8077 12.1185 12.1185 17.0108 17.0108 21.0990 21.0990 21.3489 21.3489 21.4781 21.4781 k = 0.0000 0.1389 0.6879 ( 2246 PWs) bands (ev): -12.6816 -12.6816 -11.7839 -11.7839 -3.7086 -3.7086 -2.3488 -2.3488 -0.0895 -0.0895 1.4221 1.4221 1.6571 1.6571 1.8779 1.8779 3.2312 3.2312 4.0538 4.0538 9.8844 9.8844 10.0880 10.0880 10.1415 10.1415 11.2299 11.2299 11.7793 11.7793 12.1580 12.1580 17.0859 17.0859 21.0233 21.0233 21.2665 21.2665 21.4343 21.4343 k = 0.0000 0.1528 0.6879 ( 2246 PWs) bands (ev): -12.6720 -12.6720 -11.7930 -11.7930 -3.6993 -3.6993 -2.3627 -2.3627 -0.0846 -0.0846 1.3976 1.3976 1.6528 1.6528 1.8958 1.8958 3.2078 3.2078 4.0307 4.0307 9.9333 9.9333 10.0998 10.0998 10.1550 10.1550 11.3031 11.3031 11.7484 11.7484 12.2003 12.2003 17.1677 17.1677 20.9426 20.9426 21.1636 21.1636 21.3323 21.3323 k = 0.0000 0.1667 0.6879 ( 2246 PWs) bands (ev): -12.6615 -12.6615 -11.8030 -11.8030 -3.6890 -3.6890 -2.3782 -2.3782 -0.0790 -0.0790 1.3719 1.3719 1.6489 1.6489 1.9152 1.9152 3.1822 3.1822 4.0050 4.0050 9.9861 9.9861 10.1079 10.1079 10.1800 10.1800 11.3767 11.3767 11.7152 11.7152 12.2450 12.2450 17.2558 17.2558 20.8571 20.8571 21.0379 21.0379 21.2406 21.2406 k = 0.0000 0.1806 0.6879 ( 2252 PWs) bands (ev): -12.6502 -12.6502 -11.8138 -11.8138 -3.6777 -3.6777 -2.3953 -2.3953 -0.0724 -0.0724 1.3450 1.3450 1.6458 1.6458 1.9363 1.9363 3.1543 3.1543 3.9767 3.9767 10.0428 10.0428 10.1136 10.1136 10.2153 10.2153 11.4500 11.4500 11.6797 11.6797 12.2914 12.2914 17.3499 17.3499 20.7665 20.7665 20.8968 20.8968 21.1637 21.1637 k = 0.0000 0.1944 0.6879 ( 2256 PWs) bands (ev): -12.6380 -12.6380 -11.8254 -11.8254 -3.6653 -3.6653 -2.4139 -2.4139 -0.0650 -0.0650 1.3166 1.3166 1.6437 1.6437 1.9590 1.9590 3.1243 3.1243 3.9458 3.9458 10.1028 10.1028 10.1192 10.1192 10.2591 10.2591 11.5224 11.5224 11.6423 11.6423 12.3393 12.3393 17.4496 17.4496 20.6686 20.6686 20.7512 20.7512 21.0959 21.0959 k = 0.0000 0.2083 0.6879 ( 2264 PWs) bands (ev): -12.6251 -12.6251 -11.8378 -11.8378 -3.6519 -3.6519 -2.4341 -2.4341 -0.0564 -0.0564 1.2869 1.2869 1.6431 1.6431 1.9832 1.9832 3.0922 3.0922 3.9123 3.9123 10.1244 10.1244 10.1671 10.1671 10.3105 10.3105 11.5930 11.5930 11.6031 11.6031 12.3878 12.3878 17.5544 17.5544 20.5535 20.5535 20.6167 20.6167 21.0337 21.0337 k = 0.0000 0.2222 0.6879 ( 2260 PWs) bands (ev): -12.6115 -12.6115 -11.8509 -11.8509 -3.6374 -3.6374 -2.4560 -2.4560 -0.0468 -0.0468 1.2558 1.2558 1.6443 1.6443 2.0090 2.0090 3.0582 3.0582 3.8764 3.8764 10.1313 10.1313 10.2338 10.2338 10.3688 10.3688 11.5618 11.5618 11.6619 11.6619 12.4366 12.4366 17.6640 17.6640 20.4130 20.4130 20.5047 20.5047 20.9755 20.9755 k = 0.0000 0.2361 0.6879 ( 2264 PWs) bands (ev): -12.5971 -12.5971 -11.8647 -11.8647 -3.6218 -3.6218 -2.4794 -2.4794 -0.0358 -0.0358 1.2232 1.2232 1.6475 1.6475 2.0364 2.0364 3.0224 3.0224 3.8380 3.8380 10.1395 10.1395 10.3035 10.3035 10.4337 10.4337 11.5191 11.5191 11.7278 11.7278 12.4849 12.4849 17.7779 17.7779 20.2630 20.2630 20.4016 20.4016 20.9205 20.9205 k = 0.0000 0.2500 0.6879 ( 2268 PWs) bands (ev): -12.5819 -12.5819 -11.8793 -11.8793 -3.6050 -3.6050 -2.5044 -2.5044 -0.0236 -0.0236 1.1892 1.1892 1.6529 1.6529 2.0653 2.0653 2.9849 2.9849 3.7974 3.7974 10.1491 10.1491 10.3758 10.3758 10.5046 10.5046 11.4751 11.4751 11.7906 11.7906 12.5320 12.5320 17.8955 17.8955 20.1130 20.1130 20.2999 20.2999 20.8680 20.8680 k = 0.0000 0.2639 0.6879 ( 2268 PWs) bands (ev): -12.5662 -12.5662 -11.8945 -11.8945 -3.5871 -3.5871 -2.5308 -2.5308 -0.0100 -0.0100 1.1538 1.1538 1.6607 1.6607 2.0958 2.0958 2.9458 2.9458 3.7546 3.7546 10.1604 10.1604 10.4505 10.4505 10.5811 10.5811 11.4299 11.4299 11.8496 11.8496 12.5773 12.5773 18.0165 18.0165 19.9658 19.9658 20.1985 20.1985 20.8177 20.8177 k = 0.0000 0.2778 0.6879 ( 2272 PWs) bands (ev): -12.5497 -12.5497 -11.9104 -11.9104 -3.5681 -3.5681 -2.5587 -2.5587 0.0051 0.0051 1.1171 1.1171 1.6710 1.6710 2.1276 2.1276 2.9055 2.9055 3.7097 3.7097 10.1733 10.1733 10.5273 10.5273 10.6626 10.6626 11.3836 11.3836 11.9045 11.9045 12.6199 12.6199 18.1401 18.1401 19.8232 19.8232 20.0972 20.0972 20.7692 20.7692 k = 0.0000 0.2917 0.6879 ( 2272 PWs) bands (ev): -12.5327 -12.5327 -11.9270 -11.9270 -3.5479 -3.5479 -2.5880 -2.5880 0.0217 0.0217 1.0792 1.0792 1.6839 1.6839 2.1609 2.1609 2.8639 2.8639 3.6631 3.6631 10.1880 10.1880 10.6058 10.6058 10.7485 10.7485 11.3365 11.3365 11.9550 11.9550 12.6592 12.6592 18.2659 18.2659 19.6865 19.6865 19.9964 19.9964 20.7222 20.7222 k = 0.0000 0.3056 0.6879 ( 2268 PWs) bands (ev): -12.5150 -12.5150 -11.9441 -11.9441 -3.5265 -3.5265 -2.6186 -2.6186 0.0399 0.0399 1.0403 1.0403 1.6993 1.6993 2.1954 2.1954 2.8215 2.8215 3.6147 3.6147 10.2046 10.2046 10.6858 10.6858 10.8381 10.8381 11.2886 11.2886 12.0006 12.0006 12.6943 12.6943 18.3932 18.3932 19.5566 19.5566 19.8964 19.8964 20.6764 20.6764 k = 0.0000 0.3194 0.6879 ( 2266 PWs) bands (ev): -12.4968 -12.4968 -11.9618 -11.9618 -3.5040 -3.5040 -2.6503 -2.6503 0.0597 0.0597 1.0003 1.0003 1.7172 1.7172 2.2309 2.2309 2.7785 2.7785 3.5649 3.5649 10.2230 10.2230 10.7669 10.7669 10.9306 10.9306 11.2403 11.2403 12.0412 12.0412 12.7244 12.7244 18.5213 18.5213 19.4347 19.4347 19.7975 19.7975 20.6314 20.6314 k = 0.0000 0.3333 0.6879 ( 2262 PWs) bands (ev): -12.4781 -12.4781 -11.9800 -11.9800 -3.4803 -3.4803 -2.6832 -2.6832 0.0812 0.0812 0.9596 0.9596 1.7377 1.7377 2.2673 2.2673 2.7354 2.7354 3.5138 3.5138 10.2433 10.2433 10.8485 10.8485 11.0252 11.0252 11.1918 11.1918 12.0767 12.0767 12.7487 12.7487 18.6495 18.6495 19.3216 19.3216 19.7004 19.7004 20.5870 20.5870 k = 0.0000 0.3472 0.6879 ( 2258 PWs) bands (ev): -12.4589 -12.4589 -11.9988 -11.9988 -3.4554 -3.4554 -2.7169 -2.7169 0.1043 0.1043 0.9181 0.9181 1.7606 1.7606 2.3039 2.3039 2.6927 2.6927 3.4616 3.4616 10.2655 10.2655 10.9301 10.9301 11.1199 11.1199 11.1443 11.1443 12.1072 12.1072 12.7666 12.7666 18.7771 18.7771 19.2183 19.2183 19.6053 19.6053 20.5427 20.5427 k = 0.0000 0.3611 0.6879 ( 2258 PWs) bands (ev): -12.4393 -12.4393 -12.0180 -12.0180 -3.4294 -3.4294 -2.7515 -2.7515 0.1291 0.1291 0.8762 0.8762 1.7859 1.7859 2.3396 2.3396 2.6518 2.6518 3.4084 3.4084 10.2896 10.2896 11.0099 11.0099 11.0956 11.0956 11.2171 11.2171 12.1329 12.1329 12.7773 12.7773 18.9032 18.9032 19.1255 19.1255 19.5129 19.5129 20.4982 20.4982 k = 0.0000 0.3750 0.6879 ( 2254 PWs) bands (ev): -12.4193 -12.4193 -12.0377 -12.0377 -3.4022 -3.4022 -2.7868 -2.7868 0.1555 0.1555 0.8338 0.8338 1.8134 1.8134 2.3722 2.3722 2.6149 2.6149 3.3546 3.3546 10.3155 10.3155 11.0389 11.0389 11.0986 11.0986 11.3112 11.3112 12.1544 12.1544 12.7804 12.7804 19.0264 19.0264 19.0444 19.0444 19.4237 19.4237 20.4531 20.4531 k = 0.0000 0.3889 0.6879 ( 2258 PWs) bands (ev): -12.3989 -12.3989 -12.0577 -12.0577 -3.3740 -3.3740 -2.8227 -2.8227 0.1835 0.1835 0.7912 0.7912 1.8432 1.8432 2.3962 2.3962 2.5878 2.5878 3.3001 3.3001 10.3434 10.3434 10.9933 10.9933 11.1749 11.1749 11.4019 11.4019 12.1729 12.1729 12.7753 12.7753 18.9738 18.9738 19.1472 19.1472 19.3388 19.3388 20.4070 20.4070 k = 0.0000 0.4028 0.6879 ( 2262 PWs) bands (ev): -12.3782 -12.3782 -12.0782 -12.0782 -3.3447 -3.3447 -2.8590 -2.8590 0.2131 0.2131 0.7485 0.7485 1.8750 1.8750 2.4020 2.4020 2.5801 2.5801 3.2453 3.2453 10.3731 10.3731 10.9455 10.9455 11.2519 11.2519 11.4868 11.4868 12.1899 12.1899 12.7618 12.7618 18.9160 18.9160 19.2401 19.2401 19.2814 19.2814 20.3594 20.3594 k = 0.0000 0.4167 0.6879 ( 2262 PWs) bands (ev): -12.3572 -12.3572 -12.0989 -12.0989 -3.3144 -3.3144 -2.8956 -2.8956 0.2442 0.2442 0.7059 0.7059 1.9087 1.9087 2.3851 2.3851 2.5964 2.5964 3.1903 3.1903 10.4046 10.4046 10.8978 10.8978 11.3266 11.3266 11.5627 11.5627 12.2079 12.2079 12.7399 12.7399 18.8706 18.8706 19.1758 19.1758 19.3815 19.3815 20.3097 20.3097 k = 0.0000 0.4306 0.6879 ( 2262 PWs) bands (ev): -12.3359 -12.3359 -12.1199 -12.1199 -3.2831 -3.2831 -2.9323 -2.9323 0.2767 0.2767 0.6635 0.6635 1.9443 1.9443 2.3531 2.3531 2.6291 2.6291 3.1353 3.1353 10.4378 10.4378 10.8506 10.8506 11.3979 11.3979 11.6258 11.6258 12.2300 12.2300 12.7096 12.7096 18.8377 18.8377 19.1048 19.1048 19.4886 19.4886 20.2576 20.2576 k = 0.0000 0.4444 0.6879 ( 2266 PWs) bands (ev): -12.3145 -12.3145 -12.1411 -12.1411 -3.2509 -3.2509 -2.9691 -2.9691 0.3107 0.3107 0.6213 0.6213 1.9815 1.9815 2.3142 2.3142 2.6702 2.6702 3.0804 3.0804 10.4727 10.4727 10.8042 10.8042 11.4651 11.4651 11.6720 11.6720 12.2595 12.2595 12.6715 12.6715 18.8171 18.8171 19.0392 19.0392 19.5906 19.5906 20.2024 20.2024 k = 0.0000 0.4583 0.6879 ( 2270 PWs) bands (ev): -12.2929 -12.2929 -12.1626 -12.1626 -3.2178 -3.2178 -3.0058 -3.0058 0.3459 0.3459 0.5797 0.5797 2.0202 2.0202 2.2724 2.2724 2.7157 2.7157 3.0258 3.0258 10.5093 10.5093 10.7585 10.7585 11.5271 11.5271 11.6988 11.6988 12.2985 12.2985 12.6262 12.6262 18.8085 18.8085 18.9802 18.9802 19.6870 19.6870 20.1436 20.1436 k = 0.0000 0.4722 0.6879 ( 2274 PWs) bands (ev): -12.2712 -12.2712 -12.1842 -12.1842 -3.1839 -3.1839 -3.0423 -3.0423 0.3824 0.3824 0.5386 0.5386 2.0602 2.0602 2.2295 2.2295 2.7639 2.7639 2.9717 2.9717 10.5475 10.5475 10.7139 10.7139 11.5827 11.5827 11.7056 11.7056 12.3467 12.3467 12.5748 12.5748 18.8117 18.8117 18.9285 18.9285 19.7773 19.7773 20.0806 20.0806 k = 0.0000 0.4861 0.6879 ( 2278 PWs) bands (ev): -12.2494 -12.2494 -12.2059 -12.2059 -3.1494 -3.1494 -3.0785 -3.0785 0.4200 0.4200 0.4982 0.4982 2.1014 2.1014 2.1863 2.1863 2.8141 2.8141 2.9182 2.9182 10.5871 10.5871 10.6704 10.6704 11.6304 11.6304 11.6946 11.6946 12.4018 12.4018 12.5188 12.5188 18.8259 18.8259 18.8851 18.8851 19.8616 19.8616 20.0130 20.0130 k = 0.0000 0.5000 0.6879 ( 2276 PWs) bands (ev): -12.2277 -12.2277 -12.2277 -12.2277 -3.1142 -3.1142 -3.1142 -3.1142 0.4586 0.4586 0.4586 0.4586 2.1435 2.1435 2.1435 2.1435 2.8656 2.8656 2.8656 2.8656 10.6281 10.6281 10.6281 10.6281 11.6685 11.6685 11.6685 11.6685 12.4602 12.4602 12.4602 12.4602 18.8506 18.8506 18.8506 18.8506 19.9401 19.9401 19.9401 19.9401 k = 0.0000 0.5000 0.6879 ( 2276 PWs) bands (ev): -12.2277 -12.2277 -12.2277 -12.2277 -3.1142 -3.1142 -3.1142 -3.1142 0.4586 0.4586 0.4586 0.4586 2.1435 2.1435 2.1435 2.1435 2.8656 2.8656 2.8656 2.8656 10.6281 10.6281 10.6281 10.6281 11.6685 11.6685 11.6685 11.6685 12.4602 12.4602 12.4602 12.4602 18.8506 18.8506 18.8506 18.8506 19.9401 19.9401 19.9401 19.9401 k = 0.0139 0.5000 0.6879 ( 2272 PWs) bands (ev): -12.2276 -12.2276 -12.2276 -12.2276 -3.1155 -3.1155 -3.1119 -3.1119 0.4393 0.4393 0.4740 0.4740 2.0979 2.0979 2.1772 2.1772 2.8493 2.8493 2.8961 2.8961 10.6293 10.6293 10.6327 10.6327 11.6698 11.6698 11.6706 11.6706 12.4602 12.4602 12.4605 12.4605 18.8447 18.8447 18.8483 18.8483 19.9374 19.9374 19.9436 19.9436 k = 0.0278 0.5000 0.6879 ( 2272 PWs) bands (ev): -12.2273 -12.2273 -12.2273 -12.2273 -3.1158 -3.1158 -3.1087 -3.1087 0.4162 0.4162 0.4851 0.4851 2.0438 2.0438 2.1957 2.1957 2.8501 2.8501 2.9372 2.9372 10.6363 10.6363 10.6432 10.6432 11.6745 11.6745 11.6760 11.6760 12.4604 12.4604 12.4611 12.4611 18.8305 18.8305 18.8377 18.8377 19.9354 19.9354 19.9476 19.9476 k = 0.0417 0.5000 0.6879 ( 2276 PWs) bands (ev): -12.2269 -12.2269 -12.2269 -12.2269 -3.1152 -3.1152 -3.1046 -3.1046 0.3896 0.3896 0.4919 0.4919 1.9843 1.9843 2.1974 2.1974 2.8692 2.8692 2.9863 2.9863 10.6491 10.6491 10.6593 10.6593 11.6825 11.6825 11.6847 11.6847 12.4609 12.4609 12.4620 12.4620 18.8087 18.8087 18.8190 18.8190 19.9338 19.9338 19.9516 19.9516 k = 0.0556 0.5000 0.6879 ( 2272 PWs) bands (ev): -12.2263 -12.2263 -12.2263 -12.2263 -3.1137 -3.1137 -3.0996 -3.0996 0.3598 0.3598 0.4944 0.4944 1.9215 1.9215 2.1836 2.1836 2.9053 2.9053 3.0412 3.0412 10.6676 10.6676 10.6811 10.6811 11.6939 11.6939 11.6967 11.6967 12.4617 12.4617 12.4632 12.4632 18.7797 18.7797 18.7927 18.7927 19.9323 19.9323 19.9551 19.9551 k = 0.0694 0.5000 0.6879 ( 2272 PWs) bands (ev): -12.2255 -12.2255 -12.2255 -12.2255 -3.1112 -3.1112 -3.0936 -3.0936 0.3272 0.3272 0.4925 0.4925 1.8571 1.8571 2.1573 2.1573 2.9551 2.9551 3.1003 3.1003 10.6918 10.6918 10.7082 10.7082 11.7086 11.7086 11.7120 11.7120 12.4628 12.4628 12.4646 12.4646 18.7442 18.7442 18.7594 18.7594 19.9303 19.9303 19.9572 19.9572 k = 0.0833 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2246 -12.2246 -12.2246 -12.2246 -3.1078 -3.1078 -3.0869 -3.0869 0.2920 0.2920 0.4863 0.4863 1.7922 1.7922 2.1217 2.1217 3.0150 3.0150 3.1627 3.1627 10.7214 10.7214 10.7406 10.7406 11.7268 11.7268 11.7304 11.7304 12.4641 12.4641 12.4663 12.4663 18.7030 18.7030 18.7198 18.7198 19.9270 19.9270 19.9574 19.9574 k = 0.0972 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.2235 -12.2235 -12.2235 -12.2235 -3.1035 -3.1035 -3.0792 -3.0792 0.2546 0.2546 0.4758 0.4758 1.7274 1.7274 2.0796 2.0796 3.0819 3.0819 3.2276 3.2276 10.7563 10.7563 10.7780 10.7780 11.7482 11.7482 11.7519 11.7519 12.4657 12.4657 12.4682 12.4682 18.6567 18.6567 18.6747 18.6747 19.9217 19.9217 19.9547 19.9547 k = 0.1111 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2223 -12.2223 -12.2223 -12.2223 -3.0983 -3.0983 -3.0708 -3.0708 0.2155 0.2155 0.4614 0.4614 1.6634 1.6634 2.0331 2.0331 3.1536 3.1536 3.2943 3.2943 10.7963 10.7963 10.8202 10.8202 11.7730 11.7730 11.7765 11.7765 12.4676 12.4676 12.4704 12.4704 18.6061 18.6061 18.6248 18.6248 19.9137 19.9137 19.9483 19.9483 k = 0.1250 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2209 -12.2209 -12.2209 -12.2209 -3.0923 -3.0923 -3.0617 -3.0617 0.1750 0.1750 0.4431 0.4431 1.6005 1.6005 1.9835 1.9835 3.2284 3.2284 3.3623 3.3623 10.8411 10.8411 10.8668 10.8668 11.8010 11.8010 11.8041 11.8041 12.4697 12.4697 12.4729 12.4729 18.5518 18.5518 18.5708 18.5708 19.9022 19.9022 19.9376 19.9376 k = 0.1389 0.5000 0.6879 ( 2260 PWs) bands (ev): -12.2195 -12.2195 -12.2194 -12.2194 -3.0855 -3.0855 -3.0518 -3.0518 0.1335 0.1335 0.4212 0.4212 1.5390 1.5390 1.9319 1.9319 3.3051 3.3051 3.4312 3.4312 10.8905 10.8905 10.9176 10.9176 11.8322 11.8322 11.8345 11.8345 12.4721 12.4721 12.4755 12.4755 18.4945 18.4945 18.5134 18.5134 19.8865 19.8865 19.9218 19.9218 k = 0.1528 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2179 -12.2179 -12.2178 -12.2178 -3.0780 -3.0780 -3.0414 -3.0414 0.0914 0.0914 0.3962 0.3962 1.4792 1.4792 1.8787 1.8787 3.3828 3.3828 3.5006 3.5006 10.9442 10.9442 10.9722 10.9722 11.8665 11.8665 11.8677 11.8677 12.4747 12.4747 12.4784 12.4784 18.4348 18.4348 18.4533 18.4533 19.8660 19.8660 19.9001 19.9001 k = 0.1667 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.2162 -12.2162 -12.2161 -12.2161 -3.0697 -3.0697 -3.0304 -3.0304 0.0489 0.0489 0.3681 0.3681 1.4212 1.4212 1.8247 1.8247 3.4608 3.4608 3.5703 3.5703 11.0019 11.0019 11.0303 11.0303 11.9034 11.9034 11.9037 11.9037 12.4775 12.4775 12.4815 12.4815 18.3732 18.3732 18.3911 18.3911 19.8400 19.8400 19.8720 19.8720 k = 0.1806 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2144 -12.2144 -12.2144 -12.2144 -3.0608 -3.0608 -3.0189 -3.0189 0.0065 0.0065 0.3375 0.3375 1.3650 1.3650 1.7700 1.7700 3.5386 3.5386 3.6397 3.6397 11.0632 11.0632 11.0914 11.0914 11.9416 11.9416 11.9437 11.9437 12.4807 12.4807 12.4848 12.4848 18.3102 18.3102 18.3274 18.3274 19.8080 19.8080 19.8369 19.8369 k = 0.1944 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.2125 -12.2125 -12.2125 -12.2125 -3.0513 -3.0513 -3.0069 -3.0069 -0.0355 -0.0355 0.3047 0.3047 1.3109 1.3109 1.7151 1.7151 3.6156 3.6156 3.7087 3.7087 11.1278 11.1278 11.1554 11.1554 11.9819 11.9819 11.9863 11.9863 12.4840 12.4840 12.4884 12.4884 18.2465 18.2465 18.2627 18.2627 19.7695 19.7695 19.7943 19.7943 k = 0.2083 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.2106 -12.2106 -12.2106 -12.2106 -3.0412 -3.0412 -2.9947 -2.9947 -0.0768 -0.0768 0.2700 0.2700 1.2589 1.2589 1.6601 1.6601 3.6916 3.6916 3.7769 3.7769 11.1953 11.1953 11.2216 11.2216 12.0241 12.0241 12.0312 12.0312 12.4877 12.4877 12.4921 12.4921 18.1825 18.1825 18.1976 18.1976 19.7240 19.7240 19.7439 19.7439 k = 0.2222 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.2086 -12.2086 -12.2086 -12.2086 -3.0306 -3.0306 -2.9822 -2.9822 -0.1172 -0.1172 0.2339 0.2339 1.2090 1.2090 1.6053 1.6053 3.7661 3.7661 3.8440 3.8440 11.2654 11.2654 11.2899 11.2899 12.0679 12.0679 12.0780 12.0780 12.4917 12.4917 12.4961 12.4961 18.1187 18.1187 18.1327 18.1327 19.6712 19.6712 19.6855 19.6855 k = 0.2361 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2066 -12.2066 -12.2066 -12.2066 -3.0196 -3.0196 -2.9696 -2.9696 -0.1562 -0.1562 0.1965 0.1965 1.1614 1.1614 1.5508 1.5508 3.8389 3.8389 3.9098 3.9098 11.3378 11.3378 11.3598 11.3598 12.1129 12.1129 12.1263 12.1263 12.4962 12.4962 12.5004 12.5004 18.0556 18.0556 18.0684 18.0684 19.6110 19.6110 19.6192 19.6192 k = 0.2500 0.5000 0.6879 ( 2272 PWs) bands (ev): -12.2046 -12.2046 -12.2046 -12.2046 -3.0083 -3.0083 -2.9569 -2.9569 -0.1937 -0.1937 0.1583 0.1583 1.1160 1.1160 1.4968 1.4968 3.9095 3.9095 3.9740 3.9740 11.4119 11.4119 11.4309 11.4309 12.1586 12.1586 12.1756 12.1756 12.5012 12.5012 12.5051 12.5051 17.9938 17.9938 18.0054 18.0054 19.5435 19.5435 19.5452 19.5452 k = 0.2639 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.2026 -12.2026 -12.2026 -12.2026 -2.9966 -2.9966 -2.9443 -2.9443 -0.2293 -0.2293 0.1195 0.1195 1.0731 1.0731 1.4436 1.4436 3.9779 3.9779 4.0363 4.0363 11.4875 11.4875 11.5029 11.5029 12.2046 12.2046 12.2251 12.2251 12.5070 12.5070 12.5102 12.5102 17.9338 17.9338 17.9442 17.9442 19.4642 19.4642 19.4688 19.4688 k = 0.2778 0.5000 0.6879 ( 2260 PWs) bands (ev): -12.2006 -12.2006 -12.2005 -12.2005 -2.9848 -2.9848 -2.9319 -2.9319 -0.2630 -0.2630 0.0805 0.0805 1.0327 1.0327 1.3913 1.3913 4.0437 4.0437 4.0964 4.0964 11.5641 11.5641 11.5755 11.5755 12.2501 12.2501 12.2739 12.2739 12.5140 12.5140 12.5160 12.5160 17.8762 17.8762 17.8854 17.8854 19.3770 19.3770 19.3876 19.3876 k = 0.2917 0.5000 0.6879 ( 2256 PWs) bands (ev): -12.1986 -12.1986 -12.1986 -12.1986 -2.9728 -2.9728 -2.9197 -2.9197 -0.2944 -0.2944 0.0414 0.0414 0.9950 0.9950 1.3400 1.3400 4.1067 4.1067 4.1541 4.1541 11.6413 11.6413 11.6483 11.6483 12.2944 12.2944 12.3206 12.3206 12.5226 12.5226 12.5230 12.5230 17.8215 17.8215 17.8294 17.8294 19.2846 19.2846 19.3006 19.3006 k = 0.3056 0.5000 0.6879 ( 2256 PWs) bands (ev): -12.1967 -12.1967 -12.1966 -12.1966 -2.9608 -2.9608 -2.9080 -2.9080 -0.3233 -0.3233 0.0026 0.0026 0.9599 0.9599 1.2900 1.2900 4.1667 4.1667 4.2092 4.2092 11.7186 11.7186 11.7210 11.7210 12.3365 12.3365 12.3635 12.3635 12.5306 12.5306 12.5350 12.5350 17.7703 17.7703 17.7771 17.7771 19.1879 19.1879 19.2087 19.2087 k = 0.3194 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1948 -12.1948 -12.1947 -12.1947 -2.9488 -2.9488 -2.8967 -2.8967 -0.3497 -0.3497 -0.0358 -0.0358 0.9278 0.9278 1.2414 1.2414 4.2235 4.2235 4.2614 4.2614 11.7931 11.7931 11.7957 11.7957 12.3751 12.3751 12.4003 12.4003 12.5405 12.5405 12.5516 12.5516 17.7232 17.7232 17.7288 17.7288 19.0881 19.0881 19.1128 19.1128 k = 0.3333 0.5000 0.6879 ( 2260 PWs) bands (ev): -12.1930 -12.1930 -12.1929 -12.1929 -2.9370 -2.9370 -2.8861 -2.8861 -0.3732 -0.3732 -0.0735 -0.0735 0.8986 0.8986 1.1944 1.1944 4.2768 4.2768 4.3106 4.3106 11.8645 11.8645 11.8721 11.8721 12.4088 12.4088 12.4290 12.4290 12.5533 12.5533 12.5739 12.5739 17.6808 17.6808 17.6853 17.6853 18.9863 18.9863 19.0141 19.0141 k = 0.3472 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1913 -12.1913 -12.1912 -12.1912 -2.9253 -2.9253 -2.8762 -2.8762 -0.3939 -0.3939 -0.1104 -0.1104 0.8726 0.8726 1.1492 1.1492 4.3266 4.3266 4.3565 4.3565 11.9346 11.9346 11.9472 11.9472 12.4363 12.4363 12.4494 12.4494 12.5695 12.5695 12.6014 12.6014 17.6437 17.6437 17.6471 17.6471 18.8836 18.8836 18.9137 18.9137 k = 0.3611 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1896 -12.1896 -12.1896 -12.1896 -2.9140 -2.9140 -2.8671 -2.8671 -0.4115 -0.4115 -0.1463 -0.1463 0.8497 0.8497 1.1059 1.1059 4.3727 4.3727 4.3990 4.3990 12.0031 12.0031 12.0204 12.0204 12.4572 12.4572 12.4633 12.4633 12.5890 12.5890 12.6316 12.6316 17.6124 17.6124 17.6146 17.6146 18.7813 18.7813 18.8127 18.8127 k = 0.3750 0.5000 0.6879 ( 2256 PWs) bands (ev): -12.1881 -12.1881 -12.1881 -12.1881 -2.9030 -2.9030 -2.8590 -2.8590 -0.4260 -0.4260 -0.1810 -0.1810 0.8302 0.8302 1.0647 1.0647 4.4149 4.4149 4.4379 4.4379 12.0697 12.0697 12.0913 12.0913 12.4725 12.4725 12.4728 12.4728 12.6104 12.6104 12.6616 12.6616 17.5874 17.5874 17.5884 17.5884 18.6803 18.6803 18.7124 18.7124 k = 0.3889 0.5000 0.6879 ( 2260 PWs) bands (ev): -12.1867 -12.1867 -12.1867 -12.1867 -2.8926 -2.8926 -2.8518 -2.8518 -0.4373 -0.4373 -0.2144 -0.2144 0.8141 0.8141 1.0257 1.0257 4.4532 4.4532 4.4730 4.4730 12.1337 12.1337 12.1589 12.1589 12.4794 12.4794 12.4835 12.4835 12.6317 12.6317 12.6891 12.6891 17.5688 17.5688 17.5689 17.5689 18.5819 18.5819 18.6138 18.6138 k = 0.4028 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1855 -12.1855 -12.1855 -12.1855 -2.8827 -2.8827 -2.8458 -2.8458 -0.4454 -0.4454 -0.2462 -0.2462 0.8014 0.8014 0.9892 0.9892 4.4873 4.4873 4.5042 4.5042 12.1948 12.1948 12.2226 12.2226 12.4841 12.4841 12.4917 12.4917 12.6515 12.6515 12.7127 12.7127 17.5560 17.5560 17.5573 17.5573 18.4873 18.4873 18.5183 18.5183 k = 0.4167 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1844 -12.1844 -12.1844 -12.1844 -2.8735 -2.8735 -2.8408 -2.8408 -0.4502 -0.4502 -0.2763 -0.2763 0.7923 0.7923 0.9552 0.9552 4.5172 4.5172 4.5313 4.5313 12.2522 12.2522 12.2813 12.2813 12.4875 12.4875 12.4980 12.4980 12.6686 12.6686 12.7313 12.7313 17.5498 17.5498 17.5522 17.5522 18.3979 18.3979 18.4273 18.4273 k = 0.4306 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1834 -12.1834 -12.1834 -12.1834 -2.8650 -2.8650 -2.8371 -2.8371 -0.4518 -0.4518 -0.3046 -0.3046 0.7868 0.7868 0.9239 0.9239 4.5428 4.5428 4.5544 4.5544 12.3055 12.3055 12.3338 12.3338 12.4897 12.4897 12.5029 12.5029 12.6827 12.6827 12.7443 12.7443 17.5499 17.5499 17.5533 17.5533 18.3154 18.3154 18.3424 18.3424 k = 0.4444 0.5000 0.6879 ( 2268 PWs) bands (ev): -12.1827 -12.1827 -12.1826 -12.1826 -2.8574 -2.8574 -2.8346 -2.8346 -0.4501 -0.4501 -0.3308 -0.3308 0.7849 0.7849 0.8955 0.8955 4.5640 4.5640 4.5731 4.5731 12.3537 12.3537 12.3788 12.3788 12.4910 12.4910 12.5066 12.5066 12.6942 12.6942 12.7516 12.7516 17.5553 17.5553 17.5595 17.5595 18.2418 18.2418 18.2655 18.2655 k = 0.4583 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1820 -12.1820 -12.1820 -12.1820 -2.8507 -2.8507 -2.8333 -2.8333 -0.4453 -0.4453 -0.3549 -0.3549 0.7866 0.7866 0.8701 0.8701 4.5808 4.5808 4.5876 4.5876 12.3959 12.3959 12.4149 12.4149 12.4914 12.4914 12.5089 12.5089 12.7041 12.7041 12.7533 12.7533 17.5646 17.5646 17.5689 17.5689 18.1797 18.1797 18.1991 18.1991 k = 0.4722 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1816 -12.1816 -12.1816 -12.1816 -2.8450 -2.8450 -2.8332 -2.8332 -0.4373 -0.4373 -0.3767 -0.3767 0.7919 0.7919 0.8478 0.8478 4.5932 4.5932 4.5976 4.5976 12.4307 12.4307 12.4412 12.4412 12.4913 12.4913 12.5088 12.5088 12.7134 12.7134 12.7501 12.7501 17.5753 17.5753 17.5790 17.5790 18.1323 18.1323 18.1463 18.1463 k = 0.4861 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1813 -12.1813 -12.1813 -12.1813 -2.8403 -2.8403 -2.8344 -2.8344 -0.4264 -0.4264 -0.3959 -0.3959 0.8007 0.8007 0.8288 0.8288 4.6010 4.6010 4.6032 4.6032 12.4552 12.4552 12.4577 12.4577 12.4920 12.4920 12.5048 12.5048 12.7232 12.7232 12.7430 12.7430 17.5843 17.5843 17.5865 17.5865 18.1033 18.1033 18.1107 18.1107 k = 0.5000 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1812 -12.1812 -12.1812 -12.1812 -2.8368 -2.8368 -2.8368 -2.8368 -0.4125 -0.4125 -0.4125 -0.4125 0.8130 0.8130 0.8130 0.8130 4.6044 4.6044 4.6044 4.6044 12.4640 12.4640 12.4640 12.4640 12.4973 12.4973 12.4973 12.4973 12.7335 12.7335 12.7335 12.7335 17.5886 17.5886 17.5886 17.5886 18.0958 18.0958 18.0958 18.0958 k = 0.5000 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1812 -12.1812 -12.1812 -12.1812 -2.8368 -2.8368 -2.8368 -2.8368 -0.4125 -0.4125 -0.4125 -0.4125 0.8130 0.8130 0.8130 0.8130 4.6044 4.6044 4.6044 4.6044 12.4640 12.4640 12.4640 12.4640 12.4973 12.4973 12.4973 12.4973 12.7335 12.7335 12.7335 12.7335 17.5886 17.5886 17.5886 17.5886 18.0958 18.0958 18.0958 18.0958 k = 0.4902 0.4902 0.6879 ( 2264 PWs) bands (ev): -12.1818 -12.1818 -12.1808 -12.1808 -2.8405 -2.8405 -2.8342 -2.8342 -0.4264 -0.4264 -0.3959 -0.3959 0.8007 0.8007 0.8288 0.8288 4.6003 4.6003 4.6039 4.6039 12.4542 12.4542 12.4596 12.4596 12.4904 12.4904 12.5055 12.5055 12.7232 12.7232 12.7430 12.7430 17.5780 17.5780 17.5931 17.5931 18.0960 18.0960 18.1177 18.1177 k = 0.4804 0.4804 0.6879 ( 2264 PWs) bands (ev): -12.1835 -12.1835 -12.1797 -12.1797 -2.8463 -2.8463 -2.8319 -2.8319 -0.4377 -0.4377 -0.3764 -0.3764 0.7917 0.7917 0.8480 0.8480 4.5893 4.5893 4.6016 4.6016 12.4310 12.4310 12.4469 12.4469 12.4818 12.4818 12.5114 12.5114 12.7135 12.7135 12.7508 12.7508 17.5513 17.5513 17.6064 17.6064 18.0984 18.0984 18.1766 18.1766 k = 0.4706 0.4706 0.6879 ( 2264 PWs) bands (ev): -12.1864 -12.1864 -12.1777 -12.1777 -2.8547 -2.8547 -2.8291 -2.8291 -0.4464 -0.4464 -0.3539 -0.3539 0.7857 0.7857 0.8709 0.8709 4.5711 4.5711 4.5976 4.5976 12.4000 12.4000 12.4269 12.4269 12.4674 12.4674 12.5129 12.5129 12.7053 12.7053 12.7561 12.7561 17.5178 17.5178 17.6285 17.6285 18.1025 18.1025 18.2637 18.2637 k = 0.4608 0.4608 0.6879 ( 2262 PWs) bands (ev): -12.1903 -12.1903 -12.1750 -12.1750 -2.8659 -2.8659 -2.8257 -2.8257 -0.4529 -0.4529 -0.3284 -0.3284 0.7827 0.7827 0.8975 0.8975 4.5457 4.5457 4.5920 4.5920 12.3628 12.3628 12.4003 12.4003 12.4453 12.4453 12.5099 12.5099 12.6988 12.6988 12.7584 12.7584 17.4848 17.4848 17.6590 17.6590 18.1081 18.1081 18.3714 18.3714 k = 0.4510 0.4510 0.6879 ( 2266 PWs) bands (ev): -12.1954 -12.1954 -12.1715 -12.1715 -2.8799 -2.8799 -2.8215 -2.8215 -0.4573 -0.4573 -0.2998 -0.2998 0.7826 0.7826 0.9279 0.9279 4.5135 4.5135 4.5849 4.5849 12.3203 12.3203 12.3675 12.3675 12.4152 12.4152 12.5033 12.5033 12.6935 12.6935 12.7573 12.7573 17.4567 17.4567 17.6977 17.6977 18.1151 18.1151 18.4952 18.4952 k = 0.4412 0.4412 0.6879 ( 2266 PWs) bands (ev): -12.2015 -12.2015 -12.1672 -12.1672 -2.8965 -2.8965 -2.8164 -2.8164 -0.4596 -0.4596 -0.2682 -0.2682 0.7851 0.7851 0.9620 0.9620 4.4747 4.4747 4.5763 4.5763 12.2727 12.2727 12.3288 12.3288 12.3775 12.3775 12.4938 12.4938 12.6885 12.6885 12.7529 12.7529 17.4358 17.4358 17.7442 17.7442 18.1234 18.1234 18.6324 18.6324 k = 0.4314 0.4314 0.6879 ( 2268 PWs) bands (ev): -12.2087 -12.2087 -12.1622 -12.1622 -2.9156 -2.9156 -2.8106 -2.8106 -0.4601 -0.4601 -0.2336 -0.2336 0.7901 0.7901 0.9998 0.9998 4.4295 4.4295 4.5662 4.5662 12.2202 12.2202 12.2848 12.2848 12.3333 12.3333 12.4819 12.4819 12.6830 12.6830 12.7450 12.7450 17.4235 17.4235 17.7982 17.7982 18.1327 18.1327 18.7813 18.7813 k = 0.4216 0.4216 0.6879 ( 2268 PWs) bands (ev): -12.2169 -12.2169 -12.1564 -12.1564 -2.9368 -2.9368 -2.8038 -2.8038 -0.4588 -0.4588 -0.1962 -0.1962 0.7975 0.7975 1.0414 1.0414 4.3783 4.3783 4.5547 4.5547 12.1629 12.1629 12.2359 12.2359 12.2833 12.2833 12.4679 12.4679 12.6762 12.6762 12.7338 12.7338 17.4204 17.4204 17.8591 17.8591 18.1430 18.1430 18.9407 18.9407 k = 0.4118 0.4118 0.6879 ( 2264 PWs) bands (ev): -12.2261 -12.2261 -12.1500 -12.1500 -2.9601 -2.9601 -2.7963 -2.7963 -0.4559 -0.4559 -0.1561 -0.1561 0.8072 0.8072 1.0866 1.0866 4.3214 4.3214 4.5418 4.5418 12.1010 12.1010 12.1826 12.1826 12.2285 12.2285 12.4519 12.4519 12.6676 12.6676 12.7195 12.7195 17.4267 17.4267 17.9264 17.9264 18.1540 18.1540 19.1098 19.1098 k = 0.4020 0.4020 0.6879 ( 2264 PWs) bands (ev): -12.2361 -12.2361 -12.1429 -12.1429 -2.9851 -2.9851 -2.7879 -2.7879 -0.4516 -0.4516 -0.1134 -0.1134 0.8190 0.8190 1.1354 1.1354 4.2592 4.2592 4.5277 4.5277 12.0348 12.0348 12.1253 12.1253 12.1693 12.1693 12.4342 12.4342 12.6569 12.6569 12.7024 12.7024 17.4427 17.4427 17.9997 17.9997 18.1656 18.1656 19.2879 19.2879 k = 0.3922 0.3922 0.6879 ( 2266 PWs) bands (ev): -12.2471 -12.2471 -12.1351 -12.1351 -3.0115 -3.0115 -2.7788 -2.7788 -0.4457 -0.4457 -0.0684 -0.0684 0.8329 0.8329 1.1876 1.1876 4.1922 4.1922 4.5123 4.5123 11.9644 11.9644 12.0645 12.0645 12.1066 12.1066 12.4149 12.4149 12.6437 12.6437 12.6828 12.6828 17.4681 17.4681 18.0779 18.0779 18.1778 18.1778 19.4744 19.4744 k = 0.3824 0.3824 0.6879 ( 2270 PWs) bands (ev): -12.2589 -12.2589 -12.1266 -12.1266 -3.0392 -3.0392 -2.7689 -2.7689 -0.4386 -0.4386 -0.0212 -0.0212 0.8487 0.8487 1.2430 1.2430 4.1208 4.1208 4.4958 4.4958 11.8902 11.8902 12.0006 12.0006 12.0407 12.0407 12.3942 12.3942 12.6276 12.6276 12.6614 12.6614 17.5028 17.5028 18.1566 18.1566 18.1944 18.1944 19.6683 19.6683 k = 0.3725 0.3725 0.6879 ( 2274 PWs) bands (ev): -12.2714 -12.2714 -12.1176 -12.1176 -3.0679 -3.0679 -2.7582 -2.7582 -0.4302 -0.4302 0.0279 0.0279 0.8663 0.8663 1.3016 1.3016 4.0455 4.0455 4.4783 4.4783 11.8125 11.8125 11.9339 11.9339 11.9721 11.9721 12.3723 12.3723 12.6079 12.6079 12.6391 12.6391 17.5465 17.5465 18.1927 18.1927 18.2577 18.2577 19.8686 19.8686 k = 0.3627 0.3627 0.6879 ( 2278 PWs) bands (ev): -12.2847 -12.2847 -12.1079 -12.1079 -3.0974 -3.0974 -2.7468 -2.7468 -0.4206 -0.4206 0.0787 0.0787 0.8857 0.8857 1.3632 1.3632 3.9666 3.9666 4.4598 4.4598 11.7317 11.7317 11.8647 11.8647 11.9014 11.9014 12.3493 12.3493 12.5841 12.5841 12.6168 12.6168 17.5990 17.5990 18.2043 18.2043 18.3487 18.3487 20.0721 20.0721 k = 0.3529 0.3529 0.6879 ( 2274 PWs) bands (ev): -12.2986 -12.2986 -12.0977 -12.0977 -3.1275 -3.1275 -2.7348 -2.7348 -0.4100 -0.4100 0.1310 0.1310 0.9068 0.9068 1.4275 1.4275 3.8847 3.8847 4.4404 4.4404 11.6484 11.6484 11.7931 11.7931 11.8290 11.8290 12.3254 12.3254 12.5561 12.5561 12.5947 12.5947 17.6598 17.6598 18.2129 18.2129 18.4451 18.4451 20.2664 20.2664 k = 0.3431 0.3431 0.6879 ( 2270 PWs) bands (ev): -12.3131 -12.3131 -12.0870 -12.0870 -3.1579 -3.1579 -2.7221 -2.7221 -0.3983 -0.3983 0.1846 0.1846 0.9294 0.9294 1.4943 1.4943 3.8002 3.8002 4.4203 4.4203 11.5628 11.5628 11.7195 11.7195 11.7554 11.7554 12.3008 12.3008 12.5249 12.5249 12.5724 12.5724 17.7285 17.7285 18.2193 18.2193 18.5452 18.5452 20.3963 20.3963 k = 0.3333 0.3333 0.6879 ( 2278 PWs) bands (ev): -12.3282 -12.3282 -12.0759 -12.0759 -3.1885 -3.1885 -2.7088 -2.7088 -0.3858 -0.3858 0.2392 0.2392 0.9535 0.9535 1.5635 1.5635 3.7136 3.7136 4.3996 4.3996 11.4756 11.4756 11.6438 11.6438 11.6810 11.6810 12.2756 12.2756 12.4910 12.4910 12.5496 12.5496 17.8048 17.8048 18.2233 18.2233 18.6485 18.6485 20.4553 20.4553 k = 0.3235 0.3235 0.6879 ( 2270 PWs) bands (ev): -12.3436 -12.3436 -12.0642 -12.0642 -3.2191 -3.2191 -2.6949 -2.6949 -0.3724 -0.3724 0.2945 0.2945 0.9790 0.9790 1.6348 1.6348 3.6253 3.6253 4.3783 4.3783 11.3872 11.3872 11.5663 11.5663 11.6064 11.6064 12.2500 12.2500 12.4550 12.4550 12.5262 12.5262 17.8882 17.8882 18.2246 18.2246 18.7545 18.7545 20.4982 20.4982 k = 0.3137 0.3137 0.6879 ( 2272 PWs) bands (ev): -12.3595 -12.3595 -12.0522 -12.0522 -3.2496 -3.2496 -2.6805 -2.6805 -0.3583 -0.3583 0.3504 0.3504 1.0058 1.0058 1.7080 1.7080 3.5359 3.5359 4.3567 4.3567 11.2980 11.2980 11.4871 11.4871 11.5318 11.5318 12.2240 12.2240 12.4174 12.4174 12.5020 12.5020 17.9783 17.9783 18.2227 18.2227 18.8629 18.8629 20.5374 20.5374 k = 0.3039 0.3039 0.6879 ( 2276 PWs) bands (ev): -12.3757 -12.3757 -12.0398 -12.0398 -3.2798 -3.2798 -2.6656 -2.6656 -0.3436 -0.3436 0.4066 0.4066 1.0338 1.0338 1.7827 1.7827 3.4458 3.4458 4.3348 4.3348 11.2085 11.2085 11.4064 11.4064 11.4575 11.4575 12.1976 12.1976 12.3784 12.3784 12.4772 12.4772 18.0746 18.0746 18.2173 18.2173 18.9732 18.9732 20.5754 20.5754 k = 0.2941 0.2941 0.6879 ( 2272 PWs) bands (ev): -12.3922 -12.3922 -12.0271 -12.0271 -3.3095 -3.3095 -2.6503 -2.6503 -0.3284 -0.3284 0.4630 0.4630 1.0629 1.0629 1.8587 1.8587 3.3555 3.3555 4.3127 4.3127 11.1192 11.1192 11.3247 11.3247 11.3837 11.3837 12.1709 12.1709 12.3386 12.3386 12.4518 12.4518 18.1754 18.1754 18.2092 18.2092 19.0853 19.0853 20.6127 20.6127 k = 0.2843 0.2843 0.6879 ( 2272 PWs) bands (ev): -12.4089 -12.4089 -12.0141 -12.0141 -3.3387 -3.3387 -2.6346 -2.6346 -0.3128 -0.3128 0.5193 0.5193 1.0929 1.0929 1.9355 1.9355 3.2654 3.2654 4.2907 4.2907 11.0306 11.0306 11.2422 11.2422 11.3108 11.3108 12.1436 12.1436 12.2984 12.2984 12.4261 12.4261 18.1922 18.1922 18.2862 18.2862 19.1986 19.1986 20.6496 20.6496 k = 0.2745 0.2745 0.6879 ( 2256 PWs) bands (ev): -12.4257 -12.4257 -12.0009 -12.0009 -3.3673 -3.3673 -2.6186 -2.6186 -0.2969 -0.2969 0.5753 0.5753 1.1238 1.1238 2.0128 2.0128 3.1762 3.1762 4.2688 4.2688 10.9431 10.9431 11.1592 11.1592 11.2387 11.2387 12.1154 12.1154 12.2584 12.2584 12.4001 12.4001 18.1736 18.1736 18.3990 18.3990 19.3131 19.3131 20.6862 20.6862 k = 0.2647 0.2647 0.6879 ( 2256 PWs) bands (ev): -12.4425 -12.4425 -11.9875 -11.9875 -3.3951 -3.3951 -2.6022 -2.6022 -0.2809 -0.2809 0.6308 0.6308 1.1554 1.1554 2.0901 2.0901 3.0884 3.0884 4.2473 4.2473 10.8571 10.8571 11.0759 11.0759 11.1678 11.1678 12.0855 12.0855 12.2194 12.2194 12.3739 12.3739 18.1494 18.1494 18.5168 18.5168 19.4282 19.4282 20.7225 20.7225 k = 0.2549 0.2549 0.6879 ( 2252 PWs) bands (ev): -12.4594 -12.4594 -11.9740 -11.9740 -3.4220 -3.4220 -2.5857 -2.5857 -0.2649 -0.2649 0.6858 0.6858 1.1875 1.1875 2.1665 2.1665 3.0028 3.0028 4.2263 4.2263 10.7732 10.7732 10.9928 10.9928 11.0981 11.0981 12.0531 12.0531 12.1825 12.1825 12.3477 12.3477 18.1197 18.1197 18.6391 18.6391 19.5437 19.5437 20.7584 20.7584 k = 0.2451 0.2451 0.6879 ( 2252 PWs) bands (ev): -12.4762 -12.4762 -11.9605 -11.9605 -3.4481 -3.4481 -2.5690 -2.5690 -0.2490 -0.2490 0.7399 0.7399 1.2199 1.2199 2.2412 2.2412 2.9205 2.9205 4.2059 4.2059 10.6916 10.6916 10.9100 10.9100 11.0300 11.0300 12.0174 12.0174 12.1487 12.1487 12.3216 12.3216 18.0842 18.0842 18.7656 18.7656 19.6593 19.6593 20.7940 20.7940 k = 0.2353 0.2353 0.6879 ( 2254 PWs) bands (ev): -12.4928 -12.4928 -11.9469 -11.9469 -3.4732 -3.4732 -2.5522 -2.5522 -0.2334 -0.2334 0.7932 0.7932 1.2526 1.2526 2.3121 2.3121 2.8433 2.8433 4.1864 4.1864 10.6129 10.6129 10.8278 10.8278 10.9634 10.9634 11.9777 11.9777 12.1188 12.1188 12.2957 12.2957 18.0428 18.0428 18.8959 18.8959 19.7747 19.7747 20.8292 20.8292 k = 0.2255 0.2255 0.6879 ( 2258 PWs) bands (ev): -12.5093 -12.5093 -11.9333 -11.9333 -3.4973 -3.4973 -2.5353 -2.5353 -0.2182 -0.2182 0.8455 0.8455 1.2853 1.2853 2.3754 2.3754 2.7751 2.7751 4.1678 4.1678 10.5374 10.5374 10.7465 10.7465 10.8985 10.8985 11.9340 11.9340 12.0927 12.0927 12.2701 12.2701 17.9956 17.9956 19.0296 19.0296 19.8897 19.8897 20.8639 20.8639 k = 0.2157 0.2157 0.6879 ( 2262 PWs) bands (ev): -12.5255 -12.5255 -11.9198 -11.9198 -3.5203 -3.5203 -2.5185 -2.5185 -0.2035 -0.2035 0.8967 0.8967 1.3178 1.3178 2.4224 2.4224 2.7246 2.7246 4.1505 4.1505 10.4656 10.4656 10.6664 10.6664 10.8356 10.8356 11.8870 11.8870 12.0701 12.0701 12.2449 12.2449 17.9426 17.9426 19.1664 19.1664 20.0037 20.0037 20.8983 20.8983 k = 0.2059 0.2059 0.6879 ( 2258 PWs) bands (ev): -12.5414 -12.5414 -11.9064 -11.9064 -3.5422 -3.5422 -2.5017 -2.5017 -0.1895 -0.1895 0.9467 0.9467 1.3499 1.3499 2.4367 2.4367 2.7078 2.7078 4.1346 4.1346 10.3978 10.3978 10.5877 10.5877 10.7748 10.7748 11.8370 11.8370 12.0504 12.0504 12.2203 12.2203 17.8842 17.8842 19.3061 19.3061 20.1167 20.1167 20.9321 20.9321 k = 0.1961 0.1961 0.6879 ( 2258 PWs) bands (ev): -12.5570 -12.5570 -11.8932 -11.8932 -3.5630 -3.5630 -2.4851 -2.4851 -0.1763 -0.1763 0.9955 0.9955 1.3815 1.3815 2.4121 2.4121 2.7310 2.7310 4.1202 4.1202 10.3344 10.3344 10.5106 10.5106 10.7161 10.7161 11.7847 11.7847 12.0332 12.0332 12.1963 12.1963 17.8206 17.8206 19.4482 19.4482 20.2281 20.2281 20.9655 20.9655 k = 0.1863 0.1863 0.6879 ( 2262 PWs) bands (ev): -12.5721 -12.5721 -11.8802 -11.8802 -3.5826 -3.5826 -2.4688 -2.4688 -0.1640 -0.1640 1.0428 1.0428 1.4123 1.4123 2.3645 2.3645 2.7781 2.7781 4.1076 4.1076 10.2758 10.2758 10.4355 10.4355 10.6596 10.6596 11.7303 11.7303 12.0181 12.0181 12.1730 12.1730 17.7524 17.7524 19.5926 19.5926 20.3376 20.3376 20.9984 20.9984 k = 0.1765 0.1765 0.6879 ( 2262 PWs) bands (ev): -12.5868 -12.5868 -11.8676 -11.8676 -3.6011 -3.6011 -2.4527 -2.4527 -0.1528 -0.1528 1.0888 1.0888 1.4421 1.4421 2.3087 2.3087 2.8339 2.8339 4.0970 4.0970 10.2222 10.2222 10.3626 10.3626 10.6056 10.6056 11.6743 11.6743 12.0048 12.0048 12.1505 12.1505 17.6803 17.6803 19.7387 19.7387 20.4449 20.4449 21.0307 21.0307 k = 0.1667 0.1667 0.6879 ( 2258 PWs) bands (ev): -12.6010 -12.6010 -11.8552 -11.8552 -3.6185 -3.6185 -2.4369 -2.4369 -0.1427 -0.1427 1.1332 1.1332 1.4707 1.4707 2.2514 2.2514 2.8916 2.8916 4.0885 4.0885 10.1740 10.1740 10.2922 10.2922 10.5541 10.5541 11.6168 11.6168 11.9931 11.9931 12.1288 12.1288 17.6050 17.6050 19.8864 19.8864 20.5497 20.5497 21.0625 21.0625 k = 0.1569 0.1569 0.6879 ( 2262 PWs) bands (ev): -12.6146 -12.6146 -11.8433 -11.8433 -3.6347 -3.6347 -2.4216 -2.4216 -0.1337 -0.1337 1.1761 1.1761 1.4980 1.4980 2.1953 2.1953 2.9482 2.9482 4.0822 4.0822 10.1312 10.1312 10.2245 10.2245 10.5052 10.5052 11.5579 11.5579 11.9828 11.9828 12.1081 12.1081 17.5273 17.5273 20.0353 20.0353 20.6514 20.6514 21.0937 21.0937 k = 0.1471 0.1471 0.6879 ( 2258 PWs) bands (ev): -12.6276 -12.6276 -11.8318 -11.8318 -3.6497 -3.6497 -2.4069 -2.4069 -0.1260 -0.1260 1.2174 1.2174 1.5238 1.5238 2.1419 2.1419 3.0021 3.0021 4.0783 4.0783 10.0940 10.0940 10.1599 10.1599 10.4590 10.4590 11.4979 11.4979 11.9739 11.9739 12.0884 12.0884 17.4482 17.4482 20.1849 20.1849 20.7498 20.7498 21.1244 21.1244 k = 0.1373 0.1373 0.6879 ( 2254 PWs) bands (ev): -12.6399 -12.6399 -11.8208 -11.8208 -3.6636 -3.6636 -2.3926 -2.3926 -0.1196 -0.1196 1.2570 1.2570 1.5479 1.5479 2.0917 2.0917 3.0525 3.0525 4.0767 4.0767 10.0617 10.0617 10.0996 10.0996 10.4155 10.4155 11.4369 11.4369 11.9661 11.9661 12.0698 12.0698 17.3685 17.3685 20.3350 20.3350 20.8443 20.8443 21.1546 21.1546 k = 0.1275 0.1275 0.6879 ( 2254 PWs) bands (ev): -12.6516 -12.6516 -11.8103 -11.8103 -3.6763 -3.6763 -2.3790 -2.3790 -0.1143 -0.1143 1.2948 1.2948 1.5703 1.5703 2.0452 2.0452 3.0987 3.0987 4.0775 4.0775 10.0273 10.0273 10.0506 10.0506 10.3750 10.3750 11.3750 11.3750 11.9594 11.9594 12.0523 12.0523 17.2894 17.2894 20.4851 20.4851 20.9346 20.9346 21.1843 21.1843 k = 0.1176 0.1176 0.6879 ( 2250 PWs) bands (ev): -12.6626 -12.6626 -11.8004 -11.8004 -3.6880 -3.6880 -2.3661 -2.3661 -0.1103 -0.1103 1.3307 1.3307 1.5906 1.5906 2.0026 2.0026 3.1404 3.1404 4.0805 4.0805 9.9786 9.9786 10.0256 10.0256 10.3375 10.3375 11.3125 11.3125 11.9536 11.9536 12.0360 12.0360 17.2116 17.2116 20.6347 20.6347 21.0202 21.0202 21.2135 21.2135 k = 0.1078 0.1078 0.6879 ( 2254 PWs) bands (ev): -12.6728 -12.6728 -11.7912 -11.7912 -3.6986 -3.6986 -2.3540 -2.3540 -0.1074 -0.1074 1.3647 1.3647 1.6089 1.6089 1.9640 1.9640 3.1776 3.1776 4.0854 4.0854 9.9282 9.9282 10.0117 10.0117 10.3030 10.3030 11.2497 11.2497 11.9486 11.9486 12.0209 12.0209 17.1363 17.1363 20.7833 20.7833 21.1005 21.1005 21.2424 21.2424 k = 0.0980 0.0980 0.6879 ( 2254 PWs) bands (ev): -12.6822 -12.6822 -11.7825 -11.7825 -3.7081 -3.7081 -2.3427 -2.3427 -0.1054 -0.1054 1.3967 1.3967 1.6250 1.6250 1.9295 1.9295 3.2102 3.2102 4.0921 4.0921 9.8809 9.8809 10.0044 10.0044 10.2719 10.2719 11.1869 11.1869 11.9444 11.9444 12.0072 12.0072 17.0643 17.0643 20.9303 20.9303 21.1749 21.1749 21.2712 21.2712 k = 0.0882 0.0882 0.6879 ( 2246 PWs) bands (ev): -12.6908 -12.6908 -11.7746 -11.7746 -3.7166 -3.7166 -2.3323 -2.3323 -0.1044 -0.1044 1.4264 1.4264 1.6389 1.6389 1.8992 1.8992 3.2383 3.2383 4.1000 4.1000 9.8374 9.8374 10.0026 10.0026 10.2442 10.2442 11.1246 11.1246 11.9407 11.9407 11.9948 11.9948 16.9964 16.9964 21.0749 21.0749 21.2422 21.2422 21.3009 21.3009 k = 0.0784 0.0784 0.6879 ( 2242 PWs) bands (ev): -12.6985 -12.6985 -11.7675 -11.7675 -3.7241 -3.7241 -2.3228 -2.3228 -0.1041 -0.1041 1.4540 1.4540 1.6503 1.6503 1.8728 1.8728 3.2623 3.2623 4.1087 4.1087 9.7979 9.7979 10.0056 10.0056 10.2201 10.2201 11.0632 11.0632 11.9374 11.9374 11.9839 11.9839 16.9336 16.9336 21.2154 21.2154 21.2994 21.2994 21.3345 21.3345 k = 0.0686 0.0686 0.6879 ( 2246 PWs) bands (ev): -12.7055 -12.7055 -11.7611 -11.7611 -3.7307 -3.7307 -2.3143 -2.3143 -0.1043 -0.1043 1.4791 1.4791 1.6594 1.6594 1.8506 1.8506 3.2824 3.2824 4.1178 4.1178 9.7626 9.7626 10.0123 10.0123 10.2002 10.2002 11.0034 11.0034 11.9345 11.9345 11.9745 11.9745 16.8763 16.8763 21.3325 21.3325 21.3536 21.3536 21.3798 21.3798 k = 0.0588 0.0588 0.6879 ( 2240 PWs) bands (ev): -12.7115 -12.7115 -11.7554 -11.7554 -3.7363 -3.7363 -2.3069 -2.3069 -0.1049 -0.1049 1.5017 1.5017 1.6660 1.6660 1.8323 1.8323 3.2990 3.2990 4.1268 4.1268 9.7318 9.7318 10.0215 10.0215 10.1849 10.1849 10.9463 10.9463 11.9317 11.9317 11.9666 11.9666 16.8254 16.8254 21.3681 21.3681 21.4139 21.4139 21.4572 21.4572 k = 0.0490 0.0490 0.6879 ( 2246 PWs) bands (ev): -12.7166 -12.7166 -11.7506 -11.7506 -3.7410 -3.7410 -2.3005 -2.3005 -0.1058 -0.1058 1.5216 1.5216 1.6703 1.6703 1.8177 1.8177 3.3123 3.3123 4.1352 4.1352 9.7055 9.7055 10.0314 10.0314 10.1748 10.1748 10.8928 10.8928 11.9291 11.9291 11.9604 11.9604 16.7814 16.7814 21.3959 21.3959 21.4458 21.4458 21.4885 21.4885 k = 0.0392 0.0392 0.6879 ( 2250 PWs) bands (ev): -12.7208 -12.7208 -11.7467 -11.7467 -3.7448 -3.7448 -2.2952 -2.2952 -0.1068 -0.1068 1.5386 1.5386 1.6726 1.6726 1.8067 1.8067 3.3227 3.3227 4.1426 4.1426 9.6838 9.6838 10.0400 10.0400 10.1704 10.1704 10.8445 10.8445 11.9267 11.9267 11.9557 11.9557 16.7448 16.7448 21.4222 21.4222 21.4626 21.4626 21.5130 21.5130 k = 0.0294 0.0294 0.6879 ( 2246 PWs) bands (ev): -12.7241 -12.7241 -11.7436 -11.7436 -3.7478 -3.7478 -2.2911 -2.2911 -0.1077 -0.1077 1.5525 1.5525 1.6732 1.6732 1.7988 1.7988 3.3306 3.3306 4.1488 4.1488 9.6669 9.6669 10.0461 10.0461 10.1713 10.1713 10.8033 10.8033 11.9245 11.9245 11.9523 11.9523 16.7159 16.7159 21.4470 21.4470 21.4716 21.4716 21.5350 21.5350 k = 0.0196 0.0196 0.6879 ( 2246 PWs) bands (ev): -12.7265 -12.7265 -11.7414 -11.7414 -3.7499 -3.7499 -2.2881 -2.2881 -0.1084 -0.1084 1.5628 1.5628 1.6729 1.6729 1.7937 1.7937 3.3360 3.3360 4.1533 4.1533 9.6548 9.6548 10.0495 10.0495 10.1755 10.1755 10.7713 10.7713 11.9227 11.9227 11.9502 11.9502 16.6950 16.6950 21.4664 21.4664 21.4816 21.4816 21.5487 21.5487 k = 0.0098 0.0098 0.6879 ( 2238 PWs) bands (ev): -12.7279 -12.7279 -11.7400 -11.7400 -3.7511 -3.7511 -2.2863 -2.2863 -0.1089 -0.1089 1.5692 1.5692 1.6723 1.6723 1.7908 1.7908 3.3392 3.3392 4.1561 4.1561 9.6475 9.6475 10.0509 10.0509 10.1798 10.1798 10.7509 10.7509 11.9216 11.9216 11.9489 11.9489 16.6824 16.6824 21.4730 21.4730 21.5004 21.5004 21.5489 21.5489 k = 0.0000 0.0000 0.6879 ( 2230 PWs) bands (ev): -12.7284 -12.7284 -11.7396 -11.7396 -3.7515 -3.7515 -2.2857 -2.2857 -0.1091 -0.1091 1.5714 1.5714 1.6720 1.6720 1.7898 1.7898 3.3402 3.3402 4.1571 4.1571 9.6450 9.6450 10.0513 10.0513 10.1816 10.1816 10.7438 10.7438 11.9212 11.9212 11.9486 11.9486 16.6782 16.6782 21.4743 21.4743 21.5130 21.5130 21.5420 21.5420 k = 0.0000 0.5000-0.0000 ( 2266 PWs) bands (ev): -12.7962 -12.7962 -12.7962 -12.7962 -3.1178 -3.1178 -3.1178 -3.1178 0.9740 0.9740 0.9740 0.9740 2.7765 2.7765 2.7765 2.7765 4.2691 4.2691 4.2691 4.2691 11.3151 11.3151 11.3151 11.3151 12.3915 12.3915 12.3915 12.3915 12.8651 12.8651 12.8651 12.8651 17.1690 17.1690 17.1690 17.1690 19.4153 19.4153 19.4153 19.4153 k = 0.0000 0.5000 0.0138 ( 2270 PWs) bands (ev): -12.7957 -12.7957 -12.7957 -12.7957 -3.1176 -3.1176 -3.1176 -3.1176 0.9740 0.9740 0.9740 0.9740 2.7755 2.7755 2.7755 2.7755 4.2662 4.2662 4.2662 4.2662 11.3171 11.3171 11.3171 11.3171 12.3907 12.3907 12.3907 12.3907 12.8628 12.8628 12.8628 12.8628 17.1737 17.1737 17.1737 17.1737 19.4158 19.4158 19.4158 19.4158 k = 0.0000 0.5000 0.0275 ( 2270 PWs) bands (ev): -12.7942 -12.7942 -12.7942 -12.7942 -3.1169 -3.1169 -3.1169 -3.1169 0.9740 0.9740 0.9740 0.9740 2.7727 2.7727 2.7727 2.7727 4.2576 4.2576 4.2576 4.2576 11.3231 11.3231 11.3231 11.3231 12.3880 12.3880 12.3880 12.3880 12.8559 12.8559 12.8559 12.8559 17.1877 17.1877 17.1877 17.1877 19.4174 19.4174 19.4174 19.4174 k = 0.0000 0.5000 0.0413 ( 2270 PWs) bands (ev): -12.7917 -12.7917 -12.7917 -12.7917 -3.1158 -3.1158 -3.1158 -3.1158 0.9739 0.9739 0.9739 0.9739 2.7679 2.7679 2.7679 2.7679 4.2434 4.2434 4.2434 4.2434 11.3330 11.3330 11.3330 11.3330 12.3837 12.3837 12.3837 12.3837 12.8444 12.8444 12.8444 12.8444 17.2110 17.2110 17.2110 17.2110 19.4201 19.4201 19.4201 19.4201 k = 0.0000 0.5000 0.0550 ( 2262 PWs) bands (ev): -12.7882 -12.7882 -12.7882 -12.7882 -3.1143 -3.1143 -3.1143 -3.1143 0.9738 0.9738 0.9738 0.9738 2.7613 2.7613 2.7613 2.7613 4.2239 4.2239 4.2239 4.2239 11.3465 11.3465 11.3465 11.3465 12.3779 12.3779 12.3779 12.3779 12.8285 12.8285 12.8285 12.8285 17.2436 17.2436 17.2436 17.2436 19.4239 19.4239 19.4239 19.4239 k = 0.0000 0.5000 0.0688 ( 2254 PWs) bands (ev): -12.7837 -12.7837 -12.7837 -12.7837 -3.1124 -3.1124 -3.1124 -3.1124 0.9736 0.9736 0.9736 0.9736 2.7528 2.7528 2.7528 2.7528 4.1992 4.1992 4.1992 4.1992 11.3633 11.3633 11.3633 11.3633 12.3705 12.3705 12.3705 12.3705 12.8082 12.8082 12.8082 12.8082 17.2853 17.2853 17.2853 17.2853 19.4287 19.4287 19.4287 19.4287 k = 0.0000 0.5000 0.0825 ( 2258 PWs) bands (ev): -12.7782 -12.7782 -12.7782 -12.7782 -3.1101 -3.1101 -3.1101 -3.1101 0.9732 0.9732 0.9732 0.9732 2.7425 2.7425 2.7425 2.7425 4.1699 4.1699 4.1699 4.1699 11.3830 11.3830 11.3830 11.3830 12.3619 12.3619 12.3619 12.3619 12.7836 12.7836 12.7836 12.7836 17.3360 17.3360 17.3360 17.3360 19.4346 19.4346 19.4346 19.4346 k = 0.0000 0.5000 0.0963 ( 2258 PWs) bands (ev): -12.7718 -12.7718 -12.7718 -12.7718 -3.1074 -3.1074 -3.1074 -3.1074 0.9726 0.9726 0.9726 0.9726 2.7304 2.7304 2.7304 2.7304 4.1362 4.1362 4.1362 4.1362 11.4052 11.4052 11.4052 11.4052 12.3522 12.3522 12.3522 12.3522 12.7548 12.7548 12.7548 12.7548 17.3956 17.3956 17.3956 17.3956 19.4414 19.4414 19.4414 19.4414 k = 0.0000 0.5000 0.1101 ( 2260 PWs) bands (ev): -12.7644 -12.7644 -12.7644 -12.7644 -3.1044 -3.1044 -3.1044 -3.1044 0.9717 0.9717 0.9717 0.9717 2.7165 2.7165 2.7165 2.7165 4.0987 4.0987 4.0987 4.0987 11.4293 11.4293 11.4293 11.4293 12.3417 12.3417 12.3417 12.3417 12.7220 12.7220 12.7220 12.7220 17.4639 17.4639 17.4639 17.4639 19.4493 19.4493 19.4493 19.4493 k = 0.0000 0.5000 0.1238 ( 2260 PWs) bands (ev): -12.7561 -12.7561 -12.7561 -12.7561 -3.1011 -3.1011 -3.1011 -3.1011 0.9704 0.9704 0.9704 0.9704 2.7011 2.7011 2.7011 2.7011 4.0577 4.0577 4.0577 4.0577 11.4547 11.4547 11.4547 11.4547 12.3306 12.3306 12.3306 12.3306 12.6855 12.6855 12.6855 12.6855 17.5406 17.5406 17.5406 17.5406 19.4581 19.4581 19.4581 19.4581 k = 0.0000 0.5000 0.1376 ( 2276 PWs) bands (ev): -12.7469 -12.7469 -12.7469 -12.7469 -3.0975 -3.0975 -3.0975 -3.0975 0.9686 0.9686 0.9686 0.9686 2.6840 2.6840 2.6840 2.6840 4.0139 4.0139 4.0139 4.0139 11.4810 11.4810 11.4810 11.4810 12.3192 12.3192 12.3192 12.3192 12.6453 12.6453 12.6453 12.6453 17.6253 17.6253 17.6253 17.6253 19.4678 19.4678 19.4678 19.4678 k = 0.0000 0.5000 0.1513 ( 2276 PWs) bands (ev): -12.7369 -12.7369 -12.7369 -12.7369 -3.0937 -3.0937 -3.0937 -3.0937 0.9663 0.9663 0.9663 0.9663 2.6656 2.6656 2.6656 2.6656 3.9678 3.9678 3.9678 3.9678 11.5074 11.5074 11.5074 11.5074 12.3077 12.3077 12.3077 12.3077 12.6019 12.6019 12.6019 12.6019 17.7177 17.7177 17.7177 17.7177 19.4784 19.4784 19.4784 19.4784 k = 0.0000 0.5000 0.1651 ( 2276 PWs) bands (ev): -12.7260 -12.7260 -12.7260 -12.7260 -3.0898 -3.0898 -3.0898 -3.0898 0.9631 0.9631 0.9631 0.9631 2.6458 2.6458 2.6458 2.6458 3.9197 3.9197 3.9197 3.9197 11.5333 11.5333 11.5333 11.5333 12.2966 12.2966 12.2966 12.2966 12.5555 12.5555 12.5555 12.5555 17.8173 17.8173 17.8173 17.8173 19.4898 19.4898 19.4898 19.4898 k = 0.0000 0.5000 0.1789 ( 2276 PWs) bands (ev): -12.7143 -12.7143 -12.7143 -12.7143 -3.0856 -3.0856 -3.0856 -3.0856 0.9592 0.9592 0.9592 0.9592 2.6249 2.6249 2.6249 2.6249 3.8703 3.8703 3.8703 3.8703 11.5582 11.5582 11.5582 11.5582 12.2858 12.2858 12.2858 12.2858 12.5066 12.5066 12.5066 12.5066 17.9234 17.9234 17.9234 17.9234 19.5021 19.5021 19.5021 19.5021 k = 0.0000 0.5000 0.1926 ( 2276 PWs) bands (ev): -12.7018 -12.7018 -12.7018 -12.7018 -3.0814 -3.0814 -3.0814 -3.0814 0.9543 0.9543 0.9543 0.9543 2.6030 2.6030 2.6030 2.6030 3.8200 3.8200 3.8200 3.8200 11.5814 11.5814 11.5814 11.5814 12.2753 12.2753 12.2753 12.2753 12.4560 12.4560 12.4560 12.4560 18.0353 18.0353 18.0353 18.0353 19.5151 19.5151 19.5151 19.5151 k = 0.0000 0.5000 0.2064 ( 2276 PWs) bands (ev): -12.6887 -12.6887 -12.6887 -12.6887 -3.0772 -3.0772 -3.0772 -3.0772 0.9483 0.9483 0.9483 0.9483 2.5804 2.5804 2.5804 2.5804 3.7691 3.7691 3.7691 3.7691 11.6024 11.6024 11.6024 11.6024 12.2643 12.2643 12.2643 12.2643 12.4051 12.4051 12.4051 12.4051 18.1520 18.1520 18.1520 18.1520 19.5288 19.5288 19.5288 19.5288 k = 0.0000 0.5000 0.2201 ( 2276 PWs) bands (ev): -12.6748 -12.6748 -12.6748 -12.6748 -3.0730 -3.0730 -3.0730 -3.0730 0.9410 0.9410 0.9410 0.9410 2.5573 2.5573 2.5573 2.5573 3.7181 3.7181 3.7181 3.7181 11.6207 11.6207 11.6207 11.6207 12.2496 12.2496 12.2496 12.2496 12.3577 12.3577 12.3577 12.3577 18.2726 18.2726 18.2726 18.2726 19.5432 19.5432 19.5432 19.5432 k = 0.0000 0.5000 0.2339 ( 2272 PWs) bands (ev): -12.6603 -12.6603 -12.6603 -12.6603 -3.0688 -3.0688 -3.0688 -3.0688 0.9325 0.9325 0.9325 0.9325 2.5339 2.5339 2.5339 2.5339 3.6673 3.6673 3.6673 3.6673 11.6359 11.6359 11.6359 11.6359 12.2237 12.2237 12.2237 12.2237 12.3217 12.3217 12.3217 12.3217 18.3955 18.3955 18.3955 18.3955 19.5582 19.5582 19.5582 19.5582 k = 0.0000 0.5000 0.2476 ( 2264 PWs) bands (ev): -12.6452 -12.6452 -12.6452 -12.6452 -3.0648 -3.0648 -3.0648 -3.0648 0.9226 0.9226 0.9226 0.9226 2.5106 2.5106 2.5106 2.5106 3.6169 3.6169 3.6169 3.6169 11.6478 11.6478 11.6478 11.6478 12.1807 12.1807 12.1807 12.1807 12.3036 12.3036 12.3036 12.3036 18.5192 18.5192 18.5192 18.5192 19.5737 19.5737 19.5737 19.5737 k = 0.0000 0.5000 0.2614 ( 2268 PWs) bands (ev): -12.6295 -12.6295 -12.6295 -12.6295 -3.0610 -3.0610 -3.0610 -3.0610 0.9111 0.9111 0.9111 0.9111 2.4875 2.4875 2.4875 2.4875 3.5674 3.5674 3.5674 3.5674 11.6563 11.6563 11.6563 11.6563 12.1260 12.1260 12.1260 12.1260 12.2984 12.2984 12.2984 12.2984 18.6419 18.6419 18.6419 18.6419 19.5898 19.5898 19.5898 19.5898 k = 0.0000 0.5000 0.2752 ( 2268 PWs) bands (ev): -12.6134 -12.6134 -12.6134 -12.6134 -3.0574 -3.0574 -3.0574 -3.0574 0.8982 0.8982 0.8982 0.8982 2.4648 2.4648 2.4648 2.4648 3.5188 3.5188 3.5188 3.5188 11.6614 11.6614 11.6614 11.6614 12.0659 12.0659 12.0659 12.0659 12.2998 12.2998 12.2998 12.2998 18.7614 18.7614 18.7614 18.7614 19.6064 19.6064 19.6064 19.6064 k = 0.0000 0.5000 0.2889 ( 2264 PWs) bands (ev): -12.5968 -12.5968 -12.5968 -12.5968 -3.0541 -3.0541 -3.0541 -3.0541 0.8837 0.8837 0.8837 0.8837 2.4430 2.4430 2.4430 2.4430 3.4713 3.4713 3.4713 3.4713 11.6629 11.6629 11.6629 11.6629 12.0035 12.0035 12.0035 12.0035 12.3052 12.3052 12.3052 12.3052 18.8752 18.8752 18.8752 18.8752 19.6232 19.6232 19.6232 19.6232 k = 0.0000 0.5000 0.3027 ( 2264 PWs) bands (ev): -12.5799 -12.5799 -12.5799 -12.5799 -3.0512 -3.0512 -3.0512 -3.0512 0.8677 0.8677 0.8677 0.8677 2.4220 2.4220 2.4220 2.4220 3.4251 3.4251 3.4251 3.4251 11.6610 11.6610 11.6610 11.6610 11.9404 11.9404 11.9404 11.9404 12.3133 12.3133 12.3133 12.3133 18.9806 18.9806 18.9806 18.9806 19.6404 19.6404 19.6404 19.6404 k = 0.0000 0.5000 0.3164 ( 2280 PWs) bands (ev): -12.5626 -12.5626 -12.5626 -12.5626 -3.0488 -3.0488 -3.0488 -3.0488 0.8503 0.8503 0.8503 0.8503 2.4022 2.4022 2.4022 2.4022 3.3804 3.3804 3.3804 3.3804 11.6550 11.6550 11.6550 11.6550 11.8783 11.8783 11.8783 11.8783 12.3231 12.3231 12.3231 12.3231 19.0751 19.0751 19.0751 19.0751 19.6576 19.6576 19.6576 19.6576 k = 0.0000 0.5000 0.3302 ( 2278 PWs) bands (ev): -12.5451 -12.5451 -12.5451 -12.5451 -3.0468 -3.0468 -3.0468 -3.0468 0.8315 0.8315 0.8315 0.8315 2.3836 2.3836 2.3836 2.3836 3.3371 3.3371 3.3371 3.3371 11.6435 11.6435 11.6435 11.6435 11.8194 11.8194 11.8194 11.8194 12.3343 12.3343 12.3343 12.3343 19.1562 19.1562 19.1562 19.1562 19.6747 19.6747 19.6747 19.6747 k = 0.0000 0.5000 0.3439 ( 2274 PWs) bands (ev): -12.5274 -12.5274 -12.5274 -12.5274 -3.0452 -3.0452 -3.0452 -3.0452 0.8116 0.8116 0.8116 0.8116 2.3662 2.3662 2.3662 2.3662 3.2954 3.2954 3.2954 3.2954 11.6231 11.6231 11.6231 11.6231 11.7680 11.7680 11.7680 11.7680 12.3461 12.3461 12.3461 12.3461 19.2224 19.2224 19.2224 19.2224 19.6915 19.6915 19.6915 19.6915 k = 0.0000 0.5000 0.3577 ( 2274 PWs) bands (ev): -12.5096 -12.5096 -12.5096 -12.5096 -3.0443 -3.0443 -3.0443 -3.0443 0.7907 0.7907 0.7907 0.7907 2.3502 2.3502 2.3502 2.3502 3.2554 3.2554 3.2554 3.2554 11.5893 11.5893 11.5893 11.5893 11.7294 11.7294 11.7294 11.7294 12.3583 12.3583 12.3583 12.3583 19.2726 19.2726 19.2726 19.2726 19.7077 19.7077 19.7077 19.7077 k = 0.0000 0.5000 0.3715 ( 2274 PWs) bands (ev): -12.4917 -12.4917 -12.4917 -12.4917 -3.0439 -3.0439 -3.0439 -3.0439 0.7690 0.7690 0.7690 0.7690 2.3353 2.3353 2.3353 2.3353 3.2172 3.2172 3.2172 3.2172 11.5415 11.5415 11.5415 11.5415 11.7046 11.7046 11.7046 11.7046 12.3705 12.3705 12.3705 12.3705 19.3069 19.3069 19.3069 19.3069 19.7233 19.7233 19.7233 19.7233 k = 0.0000 0.5000 0.3852 ( 2276 PWs) bands (ev): -12.4738 -12.4738 -12.4738 -12.4738 -3.0441 -3.0441 -3.0441 -3.0441 0.7467 0.7467 0.7467 0.7467 2.3217 2.3217 2.3217 2.3217 3.1808 3.1808 3.1808 3.1808 11.4852 11.4852 11.4852 11.4852 11.6889 11.6889 11.6889 11.6889 12.3824 12.3824 12.3824 12.3824 19.3263 19.3263 19.3263 19.3263 19.7383 19.7383 19.7383 19.7383 k = 0.0000 0.5000 0.3990 ( 2272 PWs) bands (ev): -12.4561 -12.4561 -12.4561 -12.4561 -3.0448 -3.0448 -3.0448 -3.0448 0.7242 0.7242 0.7242 0.7242 2.3091 2.3091 2.3091 2.3091 3.1463 3.1463 3.1463 3.1463 11.4249 11.4249 11.4249 11.4249 11.6782 11.6782 11.6782 11.6782 12.3938 12.3938 12.3938 12.3938 19.3322 19.3322 19.3322 19.3322 19.7528 19.7528 19.7528 19.7528 k = 0.0000 0.5000 0.4127 ( 2280 PWs) bands (ev): -12.4385 -12.4385 -12.4385 -12.4385 -3.0462 -3.0462 -3.0462 -3.0462 0.7016 0.7016 0.7016 0.7016 2.2974 2.2974 2.2974 2.2974 3.1137 3.1137 3.1137 3.1137 11.3633 11.3633 11.3633 11.3633 11.6702 11.6702 11.6702 11.6702 12.4045 12.4045 12.4045 12.4045 19.3265 19.3265 19.3265 19.3265 19.7671 19.7671 19.7671 19.7671 k = 0.0000 0.5000 0.4265 ( 2280 PWs) bands (ev): -12.4211 -12.4211 -12.4211 -12.4211 -3.0482 -3.0482 -3.0482 -3.0482 0.6792 0.6792 0.6792 0.6792 2.2865 2.2865 2.2865 2.2865 3.0833 3.0833 3.0833 3.0833 11.3019 11.3019 11.3019 11.3019 11.6641 11.6641 11.6641 11.6641 12.4143 12.4143 12.4143 12.4143 19.3112 19.3112 19.3112 19.3112 19.7811 19.7811 19.7811 19.7811 k = 0.0000 0.5000 0.4403 ( 2280 PWs) bands (ev): -12.4041 -12.4041 -12.4041 -12.4041 -3.0507 -3.0507 -3.0507 -3.0507 0.6572 0.6572 0.6572 0.6572 2.2761 2.2761 2.2761 2.2761 3.0549 3.0549 3.0549 3.0549 11.2412 11.2412 11.2412 11.2412 11.6592 11.6592 11.6592 11.6592 12.4233 12.4233 12.4233 12.4233 19.2886 19.2886 19.2886 19.2886 19.7950 19.7950 19.7950 19.7950 k = 0.0000 0.5000 0.4540 ( 2284 PWs) bands (ev): -12.3874 -12.3874 -12.3874 -12.3874 -3.0538 -3.0538 -3.0538 -3.0538 0.6359 0.6359 0.6359 0.6359 2.2662 2.2662 2.2662 2.2662 3.0288 3.0288 3.0288 3.0288 11.1820 11.1820 11.1820 11.1820 11.6555 11.6555 11.6555 11.6555 12.4312 12.4312 12.4312 12.4312 19.2603 19.2603 19.2603 19.2603 19.8087 19.8087 19.8087 19.8087 k = 0.0000 0.5000 0.4678 ( 2274 PWs) bands (ev): -12.3712 -12.3712 -12.3712 -12.3712 -3.0573 -3.0573 -3.0573 -3.0573 0.6154 0.6154 0.6154 0.6154 2.2565 2.2565 2.2565 2.2565 3.0049 3.0049 3.0049 3.0049 11.1246 11.1246 11.1246 11.1246 11.6528 11.6528 11.6528 11.6528 12.4382 12.4382 12.4382 12.4382 19.2283 19.2283 19.2283 19.2283 19.8220 19.8220 19.8220 19.8220 k = 0.0000 0.5000 0.4815 ( 2274 PWs) bands (ev): -12.3555 -12.3555 -12.3555 -12.3555 -3.0613 -3.0613 -3.0613 -3.0613 0.5959 0.5959 0.5959 0.5959 2.2470 2.2470 2.2470 2.2470 2.9832 2.9832 2.9832 2.9832 11.0693 11.0693 11.0693 11.0693 11.6510 11.6510 11.6510 11.6510 12.4442 12.4442 12.4442 12.4442 19.1937 19.1937 19.1937 19.1937 19.8350 19.8350 19.8350 19.8350 k = 0.0000 0.5000 0.4953 ( 2266 PWs) bands (ev): -12.3405 -12.3405 -12.3405 -12.3405 -3.0656 -3.0656 -3.0656 -3.0656 0.5776 0.5776 0.5776 0.5776 2.2375 2.2375 2.2375 2.2375 2.9637 2.9637 2.9637 2.9637 11.0163 11.0163 11.0163 11.0163 11.6501 11.6501 11.6501 11.6501 12.4492 12.4492 12.4492 12.4492 19.1580 19.1580 19.1580 19.1580 19.8475 19.8475 19.8475 19.8475 k = 0.0000 0.5000 0.5090 ( 2270 PWs) bands (ev): -12.3261 -12.3261 -12.3261 -12.3261 -3.0702 -3.0702 -3.0702 -3.0702 0.5605 0.5605 0.5605 0.5605 2.2280 2.2280 2.2280 2.2280 2.9464 2.9464 2.9464 2.9464 10.9660 10.9660 10.9660 10.9660 11.6499 11.6499 11.6499 11.6499 12.4533 12.4533 12.4533 12.4533 19.1220 19.1220 19.1220 19.1220 19.8594 19.8594 19.8594 19.8594 k = 0.0000 0.5000 0.5228 ( 2274 PWs) bands (ev): -12.3125 -12.3125 -12.3125 -12.3125 -3.0749 -3.0749 -3.0749 -3.0749 0.5447 0.5447 0.5447 0.5447 2.2185 2.2185 2.2185 2.2185 2.9313 2.9313 2.9313 2.9313 10.9185 10.9185 10.9185 10.9185 11.6503 11.6503 11.6503 11.6503 12.4565 12.4565 12.4565 12.4565 19.0865 19.0865 19.0865 19.0865 19.8707 19.8707 19.8707 19.8707 k = 0.0000 0.5000 0.5366 ( 2274 PWs) bands (ev): -12.2996 -12.2996 -12.2996 -12.2996 -3.0798 -3.0798 -3.0798 -3.0798 0.5303 0.5303 0.5303 0.5303 2.2091 2.2091 2.2091 2.2091 2.9182 2.9182 2.9182 2.9182 10.8741 10.8741 10.8741 10.8741 11.6513 11.6513 11.6513 11.6513 12.4588 12.4588 12.4588 12.4588 19.0522 19.0522 19.0522 19.0522 19.8813 19.8813 19.8813 19.8813 k = 0.0000 0.5000 0.5503 ( 2274 PWs) bands (ev): -12.2877 -12.2877 -12.2877 -12.2877 -3.0847 -3.0847 -3.0847 -3.0847 0.5172 0.5172 0.5172 0.5172 2.1998 2.1998 2.1998 2.1998 2.9070 2.9070 2.9070 2.9070 10.8328 10.8328 10.8328 10.8328 11.6528 11.6528 11.6528 11.6528 12.4605 12.4605 12.4605 12.4605 19.0196 19.0196 19.0196 19.0196 19.8911 19.8911 19.8911 19.8911 k = 0.0000 0.5000 0.5641 ( 2276 PWs) bands (ev): -12.2767 -12.2767 -12.2767 -12.2767 -3.0895 -3.0895 -3.0895 -3.0895 0.5056 0.5056 0.5056 0.5056 2.1908 2.1908 2.1908 2.1908 2.8975 2.8975 2.8975 2.8975 10.7950 10.7950 10.7950 10.7950 11.6546 11.6546 11.6546 11.6546 12.4616 12.4616 12.4616 12.4616 18.9891 18.9891 18.9891 18.9891 19.9001 19.9001 19.9001 19.9001 k = 0.0000 0.5000 0.5778 ( 2268 PWs) bands (ev): -12.2667 -12.2667 -12.2667 -12.2667 -3.0940 -3.0940 -3.0940 -3.0940 0.4954 0.4954 0.4954 0.4954 2.1821 2.1821 2.1821 2.1821 2.8896 2.8896 2.8896 2.8896 10.7608 10.7608 10.7608 10.7608 11.6567 11.6567 11.6567 11.6567 12.4621 12.4621 12.4621 12.4621 18.9612 18.9612 18.9612 18.9612 19.9083 19.9083 19.9083 19.9083 k = 0.0000 0.5000 0.5916 ( 2270 PWs) bands (ev): -12.2578 -12.2578 -12.2578 -12.2578 -3.0983 -3.0983 -3.0983 -3.0983 0.4865 0.4865 0.4865 0.4865 2.1739 2.1739 2.1739 2.1739 2.8832 2.8832 2.8832 2.8832 10.7302 10.7302 10.7302 10.7302 11.6588 11.6588 11.6588 11.6588 12.4623 12.4623 12.4623 12.4623 18.9360 18.9360 18.9360 18.9360 19.9157 19.9157 19.9157 19.9157 k = 0.0000 0.5000 0.6053 ( 2270 PWs) bands (ev): -12.2499 -12.2499 -12.2499 -12.2499 -3.1023 -3.1023 -3.1023 -3.1023 0.4789 0.4789 0.4789 0.4789 2.1664 2.1664 2.1664 2.1664 2.8780 2.8780 2.8780 2.8780 10.7034 10.7034 10.7034 10.7034 11.6610 11.6610 11.6610 11.6610 12.4621 12.4621 12.4621 12.4621 18.9138 18.9138 18.9138 18.9138 19.9221 19.9221 19.9221 19.9221 k = 0.0000 0.5000 0.6191 ( 2270 PWs) bands (ev): -12.2432 -12.2432 -12.2432 -12.2432 -3.1057 -3.1057 -3.1057 -3.1057 0.4726 0.4726 0.4726 0.4726 2.1598 2.1598 2.1598 2.1598 2.8739 2.8739 2.8739 2.8739 10.6806 10.6806 10.6806 10.6806 11.6631 11.6631 11.6631 11.6631 12.4618 12.4618 12.4618 12.4618 18.8948 18.8948 18.8948 18.8948 19.9275 19.9275 19.9275 19.9275 k = 0.0000 0.5000 0.6329 ( 2266 PWs) bands (ev): -12.2376 -12.2376 -12.2376 -12.2376 -3.1087 -3.1087 -3.1087 -3.1087 0.4675 0.4675 0.4675 0.4675 2.1541 2.1541 2.1541 2.1541 2.8707 2.8707 2.8707 2.8707 10.6618 10.6618 10.6618 10.6618 11.6649 11.6649 11.6649 11.6649 12.4613 12.4613 12.4613 12.4613 18.8790 18.8790 18.8790 18.8790 19.9320 19.9320 19.9320 19.9320 k = 0.0000 0.5000 0.6466 ( 2278 PWs) bands (ev): -12.2333 -12.2333 -12.2333 -12.2333 -3.1111 -3.1111 -3.1111 -3.1111 0.4636 0.4636 0.4636 0.4636 2.1496 2.1496 2.1496 2.1496 2.8684 2.8684 2.8684 2.8684 10.6471 10.6471 10.6471 10.6471 11.6664 11.6664 11.6664 11.6664 12.4609 12.4609 12.4609 12.4609 18.8666 18.8666 18.8666 18.8666 19.9356 19.9356 19.9356 19.9356 k = 0.0000 0.5000 0.6604 ( 2278 PWs) bands (ev): -12.2302 -12.2302 -12.2302 -12.2302 -3.1128 -3.1128 -3.1128 -3.1128 0.4608 0.4608 0.4608 0.4608 2.1462 2.1462 2.1462 2.1462 2.8668 2.8668 2.8668 2.8668 10.6365 10.6365 10.6365 10.6365 11.6676 11.6676 11.6676 11.6676 12.4605 12.4605 12.4605 12.4605 18.8578 18.8578 18.8578 18.8578 19.9381 19.9381 19.9381 19.9381 k = 0.0000 0.5000 0.6741 ( 2278 PWs) bands (ev): -12.2283 -12.2283 -12.2283 -12.2283 -3.1138 -3.1138 -3.1138 -3.1138 0.4592 0.4592 0.4592 0.4592 2.1442 2.1442 2.1442 2.1442 2.8659 2.8659 2.8659 2.8659 10.6302 10.6302 10.6302 10.6302 11.6683 11.6683 11.6683 11.6683 12.4603 12.4603 12.4603 12.4603 18.8524 18.8524 18.8524 18.8524 19.9396 19.9396 19.9396 19.9396 k = 0.0000 0.5000 0.6879 ( 2276 PWs) bands (ev): -12.2277 -12.2277 -12.2277 -12.2277 -3.1142 -3.1142 -3.1142 -3.1142 0.4586 0.4586 0.4586 0.4586 2.1435 2.1435 2.1435 2.1435 2.8656 2.8656 2.8656 2.8656 10.6281 10.6281 10.6281 10.6281 11.6685 11.6685 11.6685 11.6685 12.4602 12.4602 12.4602 12.4602 18.8506 18.8506 18.8506 18.8506 19.9401 19.9401 19.9401 19.9401 k = 0.5000 0.5000-0.0000 ( 2304 PWs) bands (ev): -12.7172 -12.7172 -12.7172 -12.7172 -3.9579 -3.9579 -3.9579 -3.9579 1.6901 1.6901 1.6901 1.6901 3.5271 3.5271 3.5271 3.5271 4.4762 4.4762 4.4762 4.4762 10.7329 10.7329 10.7329 10.7329 11.9344 11.9344 11.9344 11.9344 12.1581 12.1581 12.1581 12.1581 16.6466 16.6466 16.6466 16.6466 20.5164 20.5164 20.5164 20.5164 k = 0.5000 0.5000 0.0138 ( 2304 PWs) bands (ev): -12.7167 -12.7167 -12.7167 -12.7167 -3.9571 -3.9571 -3.9571 -3.9571 1.6883 1.6883 1.6883 1.6883 3.5249 3.5249 3.5249 3.5249 4.4743 4.4743 4.4743 4.4743 10.7359 10.7359 10.7359 10.7359 11.9349 11.9349 11.9349 11.9349 12.1582 12.1582 12.1582 12.1582 16.6512 16.6512 16.6512 16.6512 20.5164 20.5164 20.5164 20.5164 k = 0.5000 0.5000 0.0275 ( 2304 PWs) bands (ev): -12.7153 -12.7153 -12.7153 -12.7153 -3.9547 -3.9547 -3.9547 -3.9547 1.6830 1.6830 1.6830 1.6830 3.5184 3.5184 3.5184 3.5184 4.4688 4.4688 4.4688 4.4688 10.7452 10.7452 10.7452 10.7452 11.9363 11.9363 11.9363 11.9363 12.1582 12.1582 12.1582 12.1582 16.6648 16.6648 16.6648 16.6648 20.5167 20.5167 20.5167 20.5167 k = 0.5000 0.5000 0.0413 ( 2304 PWs) bands (ev): -12.7129 -12.7129 -12.7129 -12.7129 -3.9507 -3.9507 -3.9507 -3.9507 1.6741 1.6741 1.6741 1.6741 3.5074 3.5074 3.5074 3.5074 4.4601 4.4601 4.4601 4.4601 10.7604 10.7604 10.7604 10.7604 11.9386 11.9386 11.9386 11.9386 12.1584 12.1584 12.1584 12.1584 16.6875 16.6875 16.6875 16.6875 20.5171 20.5171 20.5171 20.5171 k = 0.5000 0.5000 0.0550 ( 2304 PWs) bands (ev): -12.7095 -12.7095 -12.7095 -12.7095 -3.9452 -3.9452 -3.9452 -3.9452 1.6618 1.6618 1.6618 1.6618 3.4916 3.4916 3.4916 3.4916 4.4485 4.4485 4.4485 4.4485 10.7814 10.7814 10.7814 10.7814 11.9418 11.9418 11.9418 11.9418 12.1587 12.1587 12.1587 12.1587 16.7190 16.7190 16.7190 16.7190 20.5179 20.5179 20.5179 20.5179 k = 0.5000 0.5000 0.0688 ( 2304 PWs) bands (ev): -12.7052 -12.7052 -12.7052 -12.7052 -3.9380 -3.9380 -3.9380 -3.9380 1.6460 1.6460 1.6460 1.6460 3.4706 3.4706 3.4706 3.4706 4.4348 4.4348 4.4348 4.4348 10.8077 10.8077 10.8077 10.8077 11.9460 11.9460 11.9460 11.9460 12.1591 12.1591 12.1591 12.1591 16.7592 16.7592 16.7592 16.7592 20.5192 20.5192 20.5192 20.5192 k = 0.5000 0.5000 0.0825 ( 2304 PWs) bands (ev): -12.7000 -12.7000 -12.7000 -12.7000 -3.9293 -3.9293 -3.9293 -3.9293 1.6268 1.6268 1.6268 1.6268 3.4443 3.4443 3.4443 3.4443 4.4197 4.4197 4.4197 4.4197 10.8391 10.8391 10.8391 10.8391 11.9510 11.9510 11.9510 11.9510 12.1597 12.1597 12.1597 12.1597 16.8078 16.8078 16.8078 16.8078 20.5212 20.5212 20.5212 20.5212 k = 0.5000 0.5000 0.0963 ( 2292 PWs) bands (ev): -12.6939 -12.6939 -12.6939 -12.6939 -3.9191 -3.9191 -3.9191 -3.9191 1.6042 1.6042 1.6042 1.6042 3.4122 3.4122 3.4122 3.4122 4.4041 4.4041 4.4041 4.4041 10.8751 10.8751 10.8751 10.8751 11.9570 11.9570 11.9570 11.9570 12.1606 12.1606 12.1606 12.1606 16.8644 16.8644 16.8644 16.8644 20.5242 20.5242 20.5242 20.5242 k = 0.5000 0.5000 0.1101 ( 2292 PWs) bands (ev): -12.6869 -12.6869 -12.6869 -12.6869 -3.9073 -3.9073 -3.9073 -3.9073 1.5783 1.5783 1.5783 1.5783 3.3740 3.3740 3.3740 3.3740 4.3887 4.3887 4.3887 4.3887 10.9152 10.9152 10.9152 10.9152 11.9638 11.9638 11.9638 11.9638 12.1617 12.1617 12.1617 12.1617 16.9287 16.9287 16.9287 16.9287 20.5285 20.5285 20.5285 20.5285 k = 0.5000 0.5000 0.1238 ( 2300 PWs) bands (ev): -12.6790 -12.6790 -12.6790 -12.6790 -3.8940 -3.8940 -3.8940 -3.8940 1.5491 1.5491 1.5491 1.5491 3.3297 3.3297 3.3297 3.3297 4.3742 4.3742 4.3742 4.3742 10.9589 10.9589 10.9589 10.9589 11.9714 11.9714 11.9714 11.9714 12.1631 12.1631 12.1631 12.1631 17.0001 17.0001 17.0001 17.0001 20.5347 20.5347 20.5347 20.5347 k = 0.5000 0.5000 0.1376 ( 2292 PWs) bands (ev): -12.6703 -12.6703 -12.6703 -12.6703 -3.8792 -3.8792 -3.8792 -3.8792 1.5168 1.5168 1.5168 1.5168 3.2791 3.2791 3.2791 3.2791 4.3613 4.3613 4.3613 4.3613 11.0057 11.0057 11.0057 11.0057 11.9799 11.9799 11.9799 11.9799 12.1650 12.1650 12.1650 12.1650 17.0780 17.0780 17.0780 17.0780 20.5431 20.5431 20.5431 20.5431 k = 0.5000 0.5000 0.1513 ( 2292 PWs) bands (ev): -12.6608 -12.6608 -12.6608 -12.6608 -3.8629 -3.8629 -3.8629 -3.8629 1.4813 1.4813 1.4813 1.4813 3.2225 3.2225 3.2225 3.2225 4.3503 4.3503 4.3503 4.3503 11.0551 11.0551 11.0551 11.0551 11.9892 11.9892 11.9892 11.9892 12.1674 12.1674 12.1674 12.1674 17.1617 17.1617 17.1617 17.1617 20.5544 20.5544 20.5544 20.5544 k = 0.5000 0.5000 0.1651 ( 2292 PWs) bands (ev): -12.6504 -12.6504 -12.6504 -12.6504 -3.8451 -3.8451 -3.8451 -3.8451 1.4429 1.4429 1.4429 1.4429 3.1602 3.1602 3.1602 3.1602 4.3415 4.3415 4.3415 4.3415 11.1066 11.1066 11.1066 11.1066 11.9992 11.9992 11.9992 11.9992 12.1704 12.1704 12.1704 12.1704 17.2502 17.2502 17.2502 17.2502 20.5692 20.5692 20.5692 20.5692 k = 0.5000 0.5000 0.1789 ( 2276 PWs) bands (ev): -12.6393 -12.6393 -12.6393 -12.6393 -3.8260 -3.8260 -3.8260 -3.8260 1.4015 1.4015 1.4015 1.4015 3.0926 3.0926 3.0926 3.0926 4.3351 4.3351 4.3351 4.3351 11.1598 11.1598 11.1598 11.1598 12.0100 12.0100 12.0100 12.0100 12.1740 12.1740 12.1740 12.1740 17.3426 17.3426 17.3426 17.3426 20.5884 20.5884 20.5884 20.5884 k = 0.5000 0.5000 0.1926 ( 2276 PWs) bands (ev): -12.6275 -12.6275 -12.6275 -12.6275 -3.8054 -3.8054 -3.8054 -3.8054 1.3573 1.3573 1.3573 1.3573 3.0202 3.0202 3.0202 3.0202 4.3310 4.3310 4.3310 4.3310 11.2143 11.2143 11.2143 11.2143 12.0215 12.0215 12.0215 12.0215 12.1783 12.1783 12.1783 12.1783 17.4378 17.4378 17.4378 17.4378 20.6124 20.6124 20.6124 20.6124 k = 0.5000 0.5000 0.2064 ( 2276 PWs) bands (ev): -12.6150 -12.6150 -12.6150 -12.6150 -3.7835 -3.7835 -3.7835 -3.7835 1.3104 1.3104 1.3104 1.3104 2.9436 2.9436 2.9436 2.9436 4.3291 4.3291 4.3291 4.3291 11.2697 11.2697 11.2697 11.2697 12.0337 12.0337 12.0337 12.0337 12.1834 12.1834 12.1834 12.1834 17.5343 17.5343 17.5343 17.5343 20.6411 20.6411 20.6411 20.6411 k = 0.5000 0.5000 0.2201 ( 2276 PWs) bands (ev): -12.6019 -12.6019 -12.6019 -12.6019 -3.7602 -3.7602 -3.7602 -3.7602 1.2609 1.2609 1.2609 1.2609 2.8636 2.8636 2.8636 2.8636 4.3294 4.3294 4.3294 4.3294 11.3256 11.3256 11.3256 11.3256 12.0465 12.0465 12.0465 12.0465 12.1893 12.1893 12.1893 12.1893 17.6309 17.6309 17.6309 17.6309 20.6604 20.6604 20.6604 20.6604 k = 0.5000 0.5000 0.2339 ( 2276 PWs) bands (ev): -12.5881 -12.5881 -12.5881 -12.5881 -3.7357 -3.7357 -3.7357 -3.7357 1.2090 1.2090 1.2090 1.2090 2.7807 2.7807 2.7807 2.7807 4.3315 4.3315 4.3315 4.3315 11.3818 11.3818 11.3818 11.3818 12.0599 12.0599 12.0599 12.0599 12.1962 12.1962 12.1962 12.1962 17.7259 17.7259 17.7259 17.7259 20.5766 20.5766 20.5766 20.5766 k = 0.5000 0.5000 0.2476 ( 2284 PWs) bands (ev): -12.5738 -12.5738 -12.5738 -12.5738 -3.7099 -3.7099 -3.7099 -3.7099 1.1548 1.1548 1.1548 1.1548 2.6956 2.6956 2.6956 2.6956 4.3354 4.3354 4.3354 4.3354 11.4380 11.4380 11.4380 11.4380 12.0739 12.0739 12.0739 12.0739 12.2040 12.2040 12.2040 12.2040 17.8177 17.8177 17.8177 17.8177 20.4512 20.4512 20.4512 20.4512 k = 0.5000 0.5000 0.2614 ( 2284 PWs) bands (ev): -12.5590 -12.5590 -12.5590 -12.5590 -3.6829 -3.6829 -3.6829 -3.6829 1.0984 1.0984 1.0984 1.0984 2.6089 2.6089 2.6089 2.6089 4.3409 4.3409 4.3409 4.3409 11.4939 11.4939 11.4939 11.4939 12.0883 12.0883 12.0883 12.0883 12.2128 12.2128 12.2128 12.2128 17.9049 17.9049 17.9049 17.9049 20.3206 20.3206 20.3206 20.3206 k = 0.5000 0.5000 0.2752 ( 2292 PWs) bands (ev): -12.5437 -12.5437 -12.5437 -12.5437 -3.6548 -3.6548 -3.6548 -3.6548 1.0400 1.0400 1.0400 1.0400 2.5210 2.5210 2.5210 2.5210 4.3476 4.3476 4.3476 4.3476 11.5493 11.5493 11.5493 11.5493 12.1033 12.1033 12.1033 12.1033 12.2227 12.2227 12.2227 12.2227 17.9860 17.9860 17.9860 17.9860 20.1880 20.1880 20.1880 20.1880 k = 0.5000 0.5000 0.2889 ( 2292 PWs) bands (ev): -12.5281 -12.5281 -12.5281 -12.5281 -3.6256 -3.6256 -3.6256 -3.6256 0.9799 0.9799 0.9799 0.9799 2.4325 2.4325 2.4325 2.4325 4.3556 4.3556 4.3556 4.3556 11.6041 11.6041 11.6041 11.6041 12.1186 12.1186 12.1186 12.1186 12.2337 12.2337 12.2337 12.2337 18.0596 18.0596 18.0596 18.0596 20.0546 20.0546 20.0546 20.0546 k = 0.5000 0.5000 0.3027 ( 2284 PWs) bands (ev): -12.5121 -12.5121 -12.5121 -12.5121 -3.5954 -3.5954 -3.5954 -3.5954 0.9181 0.9181 0.9181 0.9181 2.3439 2.3439 2.3439 2.3439 4.3645 4.3645 4.3645 4.3645 11.6581 11.6581 11.6581 11.6581 12.1344 12.1344 12.1344 12.1344 12.2459 12.2459 12.2459 12.2459 18.1248 18.1248 18.1248 18.1248 19.9211 19.9211 19.9211 19.9211 k = 0.5000 0.5000 0.3164 ( 2260 PWs) bands (ev): -12.4957 -12.4957 -12.4957 -12.4957 -3.5642 -3.5642 -3.5642 -3.5642 0.8550 0.8550 0.8550 0.8550 2.2556 2.2556 2.2556 2.2556 4.3742 4.3742 4.3742 4.3742 11.7111 11.7111 11.7111 11.7111 12.1504 12.1504 12.1504 12.1504 12.2592 12.2592 12.2592 12.2592 18.1811 18.1811 18.1811 18.1811 19.7881 19.7881 19.7881 19.7881 k = 0.5000 0.5000 0.3302 ( 2252 PWs) bands (ev): -12.4792 -12.4792 -12.4792 -12.4792 -3.5322 -3.5322 -3.5322 -3.5322 0.7907 0.7907 0.7907 0.7907 2.1680 2.1680 2.1680 2.1680 4.3847 4.3847 4.3847 4.3847 11.7631 11.7631 11.7631 11.7631 12.1667 12.1667 12.1667 12.1667 12.2737 12.2737 12.2737 12.2737 18.2281 18.2281 18.2281 18.2281 19.6561 19.6561 19.6561 19.6561 k = 0.5000 0.5000 0.3439 ( 2252 PWs) bands (ev): -12.4625 -12.4625 -12.4625 -12.4625 -3.4994 -3.4994 -3.4994 -3.4994 0.7255 0.7255 0.7255 0.7255 2.0813 2.0813 2.0813 2.0813 4.3957 4.3957 4.3957 4.3957 11.8139 11.8139 11.8139 11.8139 12.1831 12.1831 12.1831 12.1831 12.2894 12.2894 12.2894 12.2894 18.2659 18.2659 18.2659 18.2659 19.5255 19.5255 19.5255 19.5255 k = 0.5000 0.5000 0.3577 ( 2252 PWs) bands (ev): -12.4457 -12.4457 -12.4457 -12.4457 -3.4658 -3.4658 -3.4658 -3.4658 0.6596 0.6596 0.6596 0.6596 1.9958 1.9958 1.9958 1.9958 4.4071 4.4071 4.4071 4.4071 11.8634 11.8634 11.8634 11.8634 12.1997 12.1997 12.1997 12.1997 12.3062 12.3062 12.3062 12.3062 18.2950 18.2950 18.2950 18.2950 19.3967 19.3967 19.3967 19.3967 k = 0.5000 0.5000 0.3715 ( 2244 PWs) bands (ev): -12.4288 -12.4288 -12.4288 -12.4288 -3.4317 -3.4317 -3.4317 -3.4317 0.5932 0.5932 0.5932 0.5932 1.9120 1.9120 1.9120 1.9120 4.4189 4.4189 4.4189 4.4189 11.9115 11.9115 11.9115 11.9115 12.2164 12.2164 12.2164 12.2164 12.3241 12.3241 12.3241 12.3241 18.3159 18.3159 18.3159 18.3159 19.2701 19.2701 19.2701 19.2701 k = 0.5000 0.5000 0.3852 ( 2244 PWs) bands (ev): -12.4120 -12.4120 -12.4120 -12.4120 -3.3970 -3.3970 -3.3970 -3.3970 0.5268 0.5268 0.5268 0.5268 1.8299 1.8299 1.8299 1.8299 4.4309 4.4309 4.4309 4.4309 11.9581 11.9581 11.9581 11.9581 12.2331 12.2331 12.2331 12.2331 12.3432 12.3432 12.3432 12.3432 18.3294 18.3294 18.3294 18.3294 19.1459 19.1459 19.1459 19.1459 k = 0.5000 0.5000 0.3990 ( 2244 PWs) bands (ev): -12.3953 -12.3953 -12.3953 -12.3953 -3.3620 -3.3620 -3.3620 -3.3620 0.4605 0.4605 0.4605 0.4605 1.7497 1.7497 1.7497 1.7497 4.4430 4.4430 4.4430 4.4430 12.0032 12.0032 12.0032 12.0032 12.2497 12.2497 12.2497 12.2497 12.3632 12.3632 12.3632 12.3632 18.3363 18.3363 18.3363 18.3363 19.0246 19.0246 19.0246 19.0246 k = 0.5000 0.5000 0.4127 ( 2252 PWs) bands (ev): -12.3787 -12.3787 -12.3787 -12.3787 -3.3267 -3.3267 -3.3267 -3.3267 0.3946 0.3946 0.3946 0.3946 1.6718 1.6718 1.6718 1.6718 4.4552 4.4552 4.4552 4.4552 12.0466 12.0466 12.0466 12.0466 12.2662 12.2662 12.2662 12.2662 12.3843 12.3843 12.3843 12.3843 18.3375 18.3375 18.3375 18.3375 18.9064 18.9064 18.9064 18.9064 k = 0.5000 0.5000 0.4265 ( 2256 PWs) bands (ev): -12.3624 -12.3624 -12.3624 -12.3624 -3.2912 -3.2912 -3.2912 -3.2912 0.3294 0.3294 0.3294 0.3294 1.5962 1.5962 1.5962 1.5962 4.4672 4.4672 4.4672 4.4672 12.0882 12.0882 12.0882 12.0882 12.2824 12.2824 12.2824 12.2824 12.4062 12.4062 12.4062 12.4062 18.3337 18.3337 18.3337 18.3337 18.7917 18.7917 18.7917 18.7917 k = 0.5000 0.5000 0.4403 ( 2272 PWs) bands (ev): -12.3464 -12.3464 -12.3464 -12.3464 -3.2557 -3.2557 -3.2557 -3.2557 0.2652 0.2652 0.2652 0.2652 1.5231 1.5231 1.5231 1.5231 4.4792 4.4792 4.4792 4.4792 12.1281 12.1281 12.1281 12.1281 12.2984 12.2984 12.2984 12.2984 12.4289 12.4289 12.4289 12.4289 18.3257 18.3257 18.3257 18.3257 18.6807 18.6807 18.6807 18.6807 k = 0.5000 0.5000 0.4540 ( 2264 PWs) bands (ev): -12.3307 -12.3307 -12.3307 -12.3307 -3.2204 -3.2204 -3.2204 -3.2204 0.2023 0.2023 0.2023 0.2023 1.4528 1.4528 1.4528 1.4528 4.4909 4.4909 4.4909 4.4909 12.1661 12.1661 12.1661 12.1661 12.3140 12.3140 12.3140 12.3140 12.4522 12.4522 12.4522 12.4522 18.3142 18.3142 18.3142 18.3142 18.5739 18.5739 18.5739 18.5739 k = 0.5000 0.5000 0.4678 ( 2264 PWs) bands (ev): -12.3155 -12.3155 -12.3155 -12.3155 -3.1854 -3.1854 -3.1854 -3.1854 0.1411 0.1411 0.1411 0.1411 1.3852 1.3852 1.3852 1.3852 4.5024 4.5024 4.5024 4.5024 12.2022 12.2022 12.2022 12.2022 12.3293 12.3293 12.3293 12.3293 12.4760 12.4760 12.4760 12.4760 18.2993 18.2993 18.2993 18.2993 18.4719 18.4719 18.4719 18.4719 k = 0.5000 0.5000 0.4815 ( 2264 PWs) bands (ev): -12.3008 -12.3008 -12.3008 -12.3008 -3.1509 -3.1509 -3.1509 -3.1509 0.0816 0.0816 0.0816 0.0816 1.3207 1.3207 1.3207 1.3207 4.5135 4.5135 4.5135 4.5135 12.2364 12.2364 12.2364 12.2364 12.3440 12.3440 12.3440 12.3440 12.5000 12.5000 12.5000 12.5000 18.2804 18.2804 18.2804 18.2804 18.3764 18.3764 18.3764 18.3764 k = 0.5000 0.5000 0.4953 ( 2264 PWs) bands (ev): -12.2867 -12.2867 -12.2867 -12.2867 -3.1170 -3.1170 -3.1170 -3.1170 0.0243 0.0243 0.0243 0.0243 1.2592 1.2592 1.2592 1.2592 4.5242 4.5242 4.5242 4.5242 12.2686 12.2686 12.2686 12.2686 12.3581 12.3581 12.3581 12.3581 12.5241 12.5241 12.5241 12.5241 18.2478 18.2478 18.2478 18.2478 18.2978 18.2978 18.2978 18.2978 k = 0.5000 0.5000 0.5090 ( 2264 PWs) bands (ev): -12.2732 -12.2732 -12.2732 -12.2732 -3.0840 -3.0840 -3.0840 -3.0840 -0.0305 -0.0305 -0.0305 -0.0305 1.2011 1.2011 1.2011 1.2011 4.5344 4.5344 4.5344 4.5344 12.2989 12.2989 12.2989 12.2989 12.3716 12.3716 12.3716 12.3716 12.5479 12.5479 12.5479 12.5479 18.1778 18.1778 18.1778 18.1778 18.2607 18.2607 18.2607 18.2607 k = 0.5000 0.5000 0.5228 ( 2264 PWs) bands (ev): -12.2605 -12.2605 -12.2605 -12.2605 -3.0521 -3.0521 -3.0521 -3.0521 -0.0827 -0.0827 -0.0827 -0.0827 1.1465 1.1465 1.1465 1.1465 4.5441 4.5441 4.5441 4.5441 12.3271 12.3271 12.3271 12.3271 12.3844 12.3844 12.3844 12.3844 12.5714 12.5714 12.5714 12.5714 18.0977 18.0977 18.0977 18.0977 18.2385 18.2385 18.2385 18.2385 k = 0.5000 0.5000 0.5366 ( 2268 PWs) bands (ev): -12.2485 -12.2485 -12.2485 -12.2485 -3.0216 -3.0216 -3.0216 -3.0216 -0.1319 -0.1319 -0.1319 -0.1319 1.0954 1.0954 1.0954 1.0954 4.5532 4.5532 4.5532 4.5532 12.3533 12.3533 12.3533 12.3533 12.3965 12.3965 12.3965 12.3965 12.5941 12.5941 12.5941 12.5941 18.0206 18.0206 18.0206 18.0206 18.2186 18.2186 18.2186 18.2186 k = 0.5000 0.5000 0.5503 ( 2260 PWs) bands (ev): -12.2373 -12.2373 -12.2373 -12.2373 -2.9925 -2.9925 -2.9925 -2.9925 -0.1779 -0.1779 -0.1779 -0.1779 1.0481 1.0481 1.0481 1.0481 4.5617 4.5617 4.5617 4.5617 12.3774 12.3774 12.3774 12.3774 12.4078 12.4078 12.4078 12.4078 12.6158 12.6158 12.6158 12.6158 17.9487 17.9487 17.9487 17.9487 18.1998 18.1998 18.1998 18.1998 k = 0.5000 0.5000 0.5641 ( 2256 PWs) bands (ev): -12.2270 -12.2270 -12.2270 -12.2270 -2.9653 -2.9653 -2.9653 -2.9653 -0.2204 -0.2204 -0.2204 -0.2204 1.0048 1.0048 1.0048 1.0048 4.5696 4.5696 4.5696 4.5696 12.3995 12.3995 12.3995 12.3995 12.4182 12.4182 12.4182 12.4182 12.6363 12.6363 12.6363 12.6363 17.8825 17.8825 17.8825 17.8825 18.1819 18.1819 18.1819 18.1819 k = 0.5000 0.5000 0.5778 ( 2256 PWs) bands (ev): -12.2177 -12.2177 -12.2177 -12.2177 -2.9400 -2.9400 -2.9400 -2.9400 -0.2592 -0.2592 -0.2592 -0.2592 0.9655 0.9655 0.9655 0.9655 4.5767 4.5767 4.5767 4.5767 12.4191 12.4191 12.4191 12.4191 12.4279 12.4279 12.4279 12.4279 12.6554 12.6554 12.6554 12.6554 17.8223 17.8223 17.8223 17.8223 18.1652 18.1652 18.1652 18.1652 k = 0.5000 0.5000 0.5916 ( 2264 PWs) bands (ev): -12.2093 -12.2093 -12.2093 -12.2093 -2.9170 -2.9170 -2.9170 -2.9170 -0.2941 -0.2941 -0.2941 -0.2941 0.9304 0.9304 0.9304 0.9304 4.5830 4.5830 4.5830 4.5830 12.4343 12.4343 12.4343 12.4343 12.4390 12.4390 12.4390 12.4390 12.6728 12.6728 12.6728 12.6728 17.7686 17.7686 17.7686 17.7686 18.1499 18.1499 18.1499 18.1499 k = 0.5000 0.5000 0.6053 ( 2268 PWs) bands (ev): -12.2020 -12.2020 -12.2020 -12.2020 -2.8965 -2.8965 -2.8965 -2.8965 -0.3248 -0.3248 -0.3248 -0.3248 0.8997 0.8997 0.8997 0.8997 4.5886 4.5886 4.5886 4.5886 12.4427 12.4427 12.4427 12.4427 12.4535 12.4535 12.4535 12.4535 12.6883 12.6883 12.6883 12.6883 17.7215 17.7215 17.7215 17.7216 18.1362 18.1362 18.1362 18.1362 k = 0.5000 0.5000 0.6191 ( 2268 PWs) bands (ev): -12.1957 -12.1957 -12.1957 -12.1957 -2.8788 -2.8788 -2.8788 -2.8788 -0.3512 -0.3512 -0.3512 -0.3512 0.8735 0.8735 0.8735 0.8735 4.5934 4.5934 4.5934 4.5934 12.4492 12.4492 12.4492 12.4492 12.4667 12.4667 12.4667 12.4667 12.7017 12.7017 12.7017 12.7017 17.6813 17.6813 17.6813 17.6813 18.1242 18.1242 18.1242 18.1242 k = 0.5000 0.5000 0.6329 ( 2268 PWs) bands (ev): -12.1905 -12.1905 -12.1905 -12.1905 -2.8639 -2.8639 -2.8639 -2.8639 -0.3731 -0.3731 -0.3731 -0.3731 0.8519 0.8519 0.8519 0.8519 4.5973 4.5973 4.5973 4.5973 12.4545 12.4545 12.4545 12.4545 12.4776 12.4776 12.4776 12.4776 12.7130 12.7130 12.7130 12.7130 17.6482 17.6482 17.6482 17.6482 18.1142 18.1142 18.1142 18.1142 k = 0.5000 0.5000 0.6466 ( 2268 PWs) bands (ev): -12.1865 -12.1865 -12.1865 -12.1865 -2.8522 -2.8522 -2.8522 -2.8522 -0.3902 -0.3902 -0.3902 -0.3902 0.8349 0.8349 0.8349 0.8349 4.6004 4.6004 4.6004 4.6004 12.4587 12.4587 12.4587 12.4587 12.4862 12.4862 12.4862 12.4862 12.7219 12.7219 12.7219 12.7219 17.6222 17.6222 17.6222 17.6222 18.1062 18.1062 18.1062 18.1062 k = 0.5000 0.5000 0.6604 ( 2272 PWs) bands (ev): -12.1836 -12.1836 -12.1836 -12.1836 -2.8436 -2.8436 -2.8436 -2.8436 -0.4026 -0.4026 -0.4026 -0.4026 0.8228 0.8228 0.8228 0.8228 4.6026 4.6026 4.6026 4.6026 12.4616 12.4616 12.4616 12.4616 12.4923 12.4923 12.4923 12.4923 12.7283 12.7283 12.7283 12.7283 17.6036 17.6036 17.6036 17.6036 18.1004 18.1004 18.1004 18.1004 k = 0.5000 0.5000 0.6741 ( 2264 PWs) bands (ev): -12.1818 -12.1818 -12.1818 -12.1818 -2.8385 -2.8385 -2.8385 -2.8385 -0.4101 -0.4101 -0.4101 -0.4101 0.8155 0.8155 0.8155 0.8155 4.6039 4.6039 4.6039 4.6039 12.4634 12.4634 12.4634 12.4634 12.4960 12.4960 12.4960 12.4960 12.7322 12.7322 12.7322 12.7322 17.5923 17.5923 17.5923 17.5923 18.0970 18.0970 18.0970 18.0970 k = 0.5000 0.5000 0.6879 ( 2264 PWs) bands (ev): -12.1812 -12.1812 -12.1812 -12.1812 -2.8368 -2.8368 -2.8368 -2.8368 -0.4125 -0.4125 -0.4125 -0.4125 0.8130 0.8130 0.8130 0.8130 4.6044 4.6044 4.6044 4.6044 12.4640 12.4640 12.4640 12.4640 12.4973 12.4973 12.4973 12.4973 12.7335 12.7335 12.7335 12.7335 17.5886 17.5886 17.5886 17.5886 18.0958 18.0958 18.0958 18.0958 Writing output data file BaO.save init_run : 0.18s CPU 0.33s WALL ( 1 calls) electrons : 90.18s CPU 92.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 90.18s CPU 92.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 405 calls) cegterg : 84.21s CPU 85.69s WALL ( 423 calls) Called by sum_band: Called by *egterg: h_psi : 41.84s CPU 42.71s WALL ( 6932 calls) s_psi : 2.21s CPU 2.33s WALL ( 6932 calls) g_psi : 0.14s CPU 0.12s WALL ( 6104 calls) cdiaghg : 36.94s CPU 37.68s WALL ( 6509 calls) cegterg:over : 2.96s CPU 3.03s WALL ( 6104 calls) cegterg:upda : 1.93s CPU 2.01s WALL ( 6104 calls) cegterg:last : 1.24s CPU 1.24s WALL ( 1313 calls) cdiaghg:chol : 1.74s CPU 1.94s WALL ( 6509 calls) cdiaghg:inve : 1.28s CPU 1.21s WALL ( 6509 calls) cdiaghg:para : 1.97s CPU 2.13s WALL ( 13018 calls) Called by h_psi: h_psi:vloc : 36.27s CPU 37.24s WALL ( 6932 calls) h_psi:vnl : 5.49s CPU 5.38s WALL ( 6932 calls) add_vuspsi : 2.95s CPU 2.88s WALL ( 6932 calls) General routines calbec : 2.51s CPU 2.48s WALL ( 6932 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.24s CPU 35.25s WALL ( 705664 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.16s WALL ( 810 calls) Parallel routines fft_scatter : 16.10s CPU 16.44s WALL ( 705687 calls) PWSCF : 1m41.98s CPU 1m53.87s WALL This run was terminated on: 14: 2: 5 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=