Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:49 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: ./BaClF.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 48 30 9 2524 1254 199 Max 49 31 10 2535 1279 204 Sum 1757 1101 325 91081 45609 7213 bravais-lattice index = 14 lattice parameter (alat) = 8.3447 a.u. unit-cell volume = 953.7477 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.344652 celldm(2)= 1.000000 celldm(3)= 1.641379 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.641379 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609244 ) 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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) Cl 7.00 35.45300 Cl( 1.00) F 7.00 18.99840 F( 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= 321 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0031153 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031153 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031153 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031153 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031153 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0031153 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031153 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031153 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031153 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031153 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031153 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031153 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031153 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031153 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031153 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0031153 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0031153 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0031153 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031153 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0031153 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031153 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031153 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031153 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0031153 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031153 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0031153 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031153 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031153 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031153 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031153 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0031153 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031153 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031153 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031153 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031153 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031153 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031153 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031153 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031153 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0031153 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031153 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031153 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0031153 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0031153 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0031153 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0031153 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0031153 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031153 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031153 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031153 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031153 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031153 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031153 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031153 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0031153 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031153 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0031153 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031153 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031153 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031153 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0031153 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0031153 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031153 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031153 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0031153 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0031153 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0031153 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0031153 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0031153 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031153 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0031153 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031153 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0031153 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0031153 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0031153 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031153 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0031153 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031153 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031153 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0031153 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031153 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0031153 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031153 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031153 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0031153 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0031153 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0031153 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0031153 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0031153 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0031153 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0031153 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031153 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0031153 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0031153 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031153 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0031153 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031153 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031153 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0031153 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031153 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0031153 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0031153 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0031153 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031153 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031153 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031153 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0031153 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0031153 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0031153 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031153 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031153 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0031153 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031153 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0138465), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.0276929), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.0415394), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.0553858), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.0692323), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.0830787), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.0969252), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.1107716), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.1246181), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.1384645), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.1523110), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.1661574), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.1800039), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.1938503), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.2076968), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.2215432), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.2353897), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.2492362), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.2630826), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.2769291), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.2907755), wk = 0.0031153 k( 149) = ( 0.0000000 0.0000000 0.3046220), wk = 0.0031153 k( 150) = ( 0.0000000 0.0000000 0.3046220), wk = 0.0031153 k( 151) = ( 0.0000000 0.0138889 0.3046220), wk = 0.0031153 k( 152) = ( 0.0000000 0.0277778 0.3046220), wk = 0.0031153 k( 153) = ( 0.0000000 0.0416667 0.3046220), wk = 0.0031153 k( 154) = ( 0.0000000 0.0555556 0.3046220), wk = 0.0031153 k( 155) = ( 0.0000000 0.0694444 0.3046220), wk = 0.0031153 k( 156) = ( 0.0000000 0.0833333 0.3046220), wk = 0.0031153 k( 157) = ( 0.0000000 0.0972222 0.3046220), wk = 0.0031153 k( 158) = ( 0.0000000 0.1111111 0.3046220), wk = 0.0031153 k( 159) = ( 0.0000000 0.1250000 0.3046220), wk = 0.0031153 k( 160) = ( 0.0000000 0.1388889 0.3046220), wk = 0.0031153 k( 161) = ( 0.0000000 0.1527778 0.3046220), wk = 0.0031153 k( 162) = ( 0.0000000 0.1666667 0.3046220), wk = 0.0031153 k( 163) = ( 0.0000000 0.1805556 0.3046220), wk = 0.0031153 k( 164) = ( 0.0000000 0.1944444 0.3046220), wk = 0.0031153 k( 165) = ( 0.0000000 0.2083333 0.3046220), wk = 0.0031153 k( 166) = ( 0.0000000 0.2222222 0.3046220), wk = 0.0031153 k( 167) = ( 0.0000000 0.2361111 0.3046220), wk = 0.0031153 k( 168) = ( 0.0000000 0.2500000 0.3046220), wk = 0.0031153 k( 169) = ( 0.0000000 0.2638889 0.3046220), wk = 0.0031153 k( 170) = ( 0.0000000 0.2777778 0.3046220), wk = 0.0031153 k( 171) = ( 0.0000000 0.2916667 0.3046220), wk = 0.0031153 k( 172) = ( 0.0000000 0.3055556 0.3046220), wk = 0.0031153 k( 173) = ( 0.0000000 0.3194444 0.3046220), wk = 0.0031153 k( 174) = ( 0.0000000 0.3333333 0.3046220), wk = 0.0031153 k( 175) = ( 0.0000000 0.3472222 0.3046220), wk = 0.0031153 k( 176) = ( 0.0000000 0.3611111 0.3046220), wk = 0.0031153 k( 177) = ( 0.0000000 0.3750000 0.3046220), wk = 0.0031153 k( 178) = ( 0.0000000 0.3888889 0.3046220), wk = 0.0031153 k( 179) = ( 0.0000000 0.4027778 0.3046220), wk = 0.0031153 k( 180) = ( 0.0000000 0.4166667 0.3046220), wk = 0.0031153 k( 181) = ( 0.0000000 0.4305556 0.3046220), wk = 0.0031153 k( 182) = ( 0.0000000 0.4444444 0.3046220), wk = 0.0031153 k( 183) = ( 0.0000000 0.4583333 0.3046220), wk = 0.0031153 k( 184) = ( 0.0000000 0.4722222 0.3046220), wk = 0.0031153 k( 185) = ( 0.0000000 0.4861111 0.3046220), wk = 0.0031153 k( 186) = ( 0.0000000 0.5000000 0.3046220), wk = 0.0031153 k( 187) = ( 0.0000000 0.5000000 0.3046220), wk = 0.0031153 k( 188) = ( 0.0138889 0.5000000 0.3046220), wk = 0.0031153 k( 189) = ( 0.0277778 0.5000000 0.3046220), wk = 0.0031153 k( 190) = ( 0.0416667 0.5000000 0.3046220), wk = 0.0031153 k( 191) = ( 0.0555556 0.5000000 0.3046220), wk = 0.0031153 k( 192) = ( 0.0694444 0.5000000 0.3046220), wk = 0.0031153 k( 193) = ( 0.0833333 0.5000000 0.3046220), wk = 0.0031153 k( 194) = ( 0.0972222 0.5000000 0.3046220), wk = 0.0031153 k( 195) = ( 0.1111111 0.5000000 0.3046220), wk = 0.0031153 k( 196) = ( 0.1250000 0.5000000 0.3046220), wk = 0.0031153 k( 197) = ( 0.1388889 0.5000000 0.3046220), wk = 0.0031153 k( 198) = ( 0.1527778 0.5000000 0.3046220), wk = 0.0031153 k( 199) = ( 0.1666667 0.5000000 0.3046220), wk = 0.0031153 k( 200) = ( 0.1805556 0.5000000 0.3046220), wk = 0.0031153 k( 201) = ( 0.1944444 0.5000000 0.3046220), wk = 0.0031153 k( 202) = ( 0.2083333 0.5000000 0.3046220), wk = 0.0031153 k( 203) = ( 0.2222222 0.5000000 0.3046220), wk = 0.0031153 k( 204) = ( 0.2361111 0.5000000 0.3046220), wk = 0.0031153 k( 205) = ( 0.2500000 0.5000000 0.3046220), wk = 0.0031153 k( 206) = ( 0.2638889 0.5000000 0.3046220), wk = 0.0031153 k( 207) = ( 0.2777778 0.5000000 0.3046220), wk = 0.0031153 k( 208) = ( 0.2916667 0.5000000 0.3046220), wk = 0.0031153 k( 209) = ( 0.3055556 0.5000000 0.3046220), wk = 0.0031153 k( 210) = ( 0.3194444 0.5000000 0.3046220), wk = 0.0031153 k( 211) = ( 0.3333333 0.5000000 0.3046220), wk = 0.0031153 k( 212) = ( 0.3472222 0.5000000 0.3046220), wk = 0.0031153 k( 213) = ( 0.3611111 0.5000000 0.3046220), wk = 0.0031153 k( 214) = ( 0.3750000 0.5000000 0.3046220), wk = 0.0031153 k( 215) = ( 0.3888889 0.5000000 0.3046220), wk = 0.0031153 k( 216) = ( 0.4027778 0.5000000 0.3046220), wk = 0.0031153 k( 217) = ( 0.4166667 0.5000000 0.3046220), wk = 0.0031153 k( 218) = ( 0.4305556 0.5000000 0.3046220), wk = 0.0031153 k( 219) = ( 0.4444444 0.5000000 0.3046220), wk = 0.0031153 k( 220) = ( 0.4583333 0.5000000 0.3046220), wk = 0.0031153 k( 221) = ( 0.4722222 0.5000000 0.3046220), wk = 0.0031153 k( 222) = ( 0.4861111 0.5000000 0.3046220), wk = 0.0031153 k( 223) = ( 0.5000000 0.5000000 0.3046220), wk = 0.0031153 k( 224) = ( 0.5000000 0.5000000 0.3046220), wk = 0.0031153 k( 225) = ( 0.4901961 0.4901961 0.3046220), wk = 0.0031153 k( 226) = ( 0.4803922 0.4803922 0.3046220), wk = 0.0031153 k( 227) = ( 0.4705882 0.4705882 0.3046220), wk = 0.0031153 k( 228) = ( 0.4607843 0.4607843 0.3046220), wk = 0.0031153 k( 229) = ( 0.4509804 0.4509804 0.3046220), wk = 0.0031153 k( 230) = ( 0.4411765 0.4411765 0.3046220), wk = 0.0031153 k( 231) = ( 0.4313726 0.4313725 0.3046220), wk = 0.0031153 k( 232) = ( 0.4215686 0.4215686 0.3046220), wk = 0.0031153 k( 233) = ( 0.4117647 0.4117647 0.3046220), wk = 0.0031153 k( 234) = ( 0.4019608 0.4019608 0.3046220), wk = 0.0031153 k( 235) = ( 0.3921569 0.3921569 0.3046220), wk = 0.0031153 k( 236) = ( 0.3823529 0.3823529 0.3046220), wk = 0.0031153 k( 237) = ( 0.3725490 0.3725490 0.3046220), wk = 0.0031153 k( 238) = ( 0.3627451 0.3627451 0.3046220), wk = 0.0031153 k( 239) = ( 0.3529412 0.3529412 0.3046220), wk = 0.0031153 k( 240) = ( 0.3431373 0.3431372 0.3046220), wk = 0.0031153 k( 241) = ( 0.3333333 0.3333333 0.3046220), wk = 0.0031153 k( 242) = ( 0.3235294 0.3235294 0.3046220), wk = 0.0031153 k( 243) = ( 0.3137255 0.3137255 0.3046220), wk = 0.0031153 k( 244) = ( 0.3039216 0.3039216 0.3046220), wk = 0.0031153 k( 245) = ( 0.2941177 0.2941176 0.3046220), wk = 0.0031153 k( 246) = ( 0.2843137 0.2843137 0.3046220), wk = 0.0031153 k( 247) = ( 0.2745098 0.2745098 0.3046220), wk = 0.0031153 k( 248) = ( 0.2647059 0.2647059 0.3046220), wk = 0.0031153 k( 249) = ( 0.2549020 0.2549020 0.3046220), wk = 0.0031153 k( 250) = ( 0.2450980 0.2450980 0.3046220), wk = 0.0031153 k( 251) = ( 0.2352941 0.2352941 0.3046220), wk = 0.0031153 k( 252) = ( 0.2254902 0.2254902 0.3046220), wk = 0.0031153 k( 253) = ( 0.2156863 0.2156863 0.3046220), wk = 0.0031153 k( 254) = ( 0.2058823 0.2058823 0.3046220), wk = 0.0031153 k( 255) = ( 0.1960784 0.1960784 0.3046220), wk = 0.0031153 k( 256) = ( 0.1862745 0.1862745 0.3046220), wk = 0.0031153 k( 257) = ( 0.1764706 0.1764706 0.3046220), wk = 0.0031153 k( 258) = ( 0.1666667 0.1666667 0.3046220), wk = 0.0031153 k( 259) = ( 0.1568627 0.1568627 0.3046220), wk = 0.0031153 k( 260) = ( 0.1470588 0.1470588 0.3046220), wk = 0.0031153 k( 261) = ( 0.1372549 0.1372549 0.3046220), wk = 0.0031153 k( 262) = ( 0.1274510 0.1274510 0.3046220), wk = 0.0031153 k( 263) = ( 0.1176471 0.1176471 0.3046220), wk = 0.0031153 k( 264) = ( 0.1078431 0.1078431 0.3046220), wk = 0.0031153 k( 265) = ( 0.0980392 0.0980392 0.3046220), wk = 0.0031153 k( 266) = ( 0.0882353 0.0882353 0.3046220), wk = 0.0031153 k( 267) = ( 0.0784314 0.0784314 0.3046220), wk = 0.0031153 k( 268) = ( 0.0686275 0.0686275 0.3046220), wk = 0.0031153 k( 269) = ( 0.0588235 0.0588235 0.3046220), wk = 0.0031153 k( 270) = ( 0.0490196 0.0490196 0.3046220), wk = 0.0031153 k( 271) = ( 0.0392157 0.0392157 0.3046220), wk = 0.0031153 k( 272) = ( 0.0294118 0.0294118 0.3046220), wk = 0.0031153 k( 273) = ( 0.0196078 0.0196078 0.3046220), wk = 0.0031153 k( 274) = ( 0.0098039 0.0098039 0.3046220), wk = 0.0031153 k( 275) = ( 0.0000000 0.0000000 0.3046220), wk = 0.0031153 k( 276) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 277) = ( 0.0000000 0.5000000 0.0138465), wk = 0.0031153 k( 278) = ( 0.0000000 0.5000000 0.0276929), wk = 0.0031153 k( 279) = ( 0.0000000 0.5000000 0.0415394), wk = 0.0031153 k( 280) = ( 0.0000000 0.5000000 0.0553858), wk = 0.0031153 k( 281) = ( 0.0000000 0.5000000 0.0692323), wk = 0.0031153 k( 282) = ( 0.0000000 0.5000000 0.0830787), wk = 0.0031153 k( 283) = ( 0.0000000 0.5000000 0.0969252), wk = 0.0031153 k( 284) = ( 0.0000000 0.5000000 0.1107716), wk = 0.0031153 k( 285) = ( 0.0000000 0.5000000 0.1246181), wk = 0.0031153 k( 286) = ( 0.0000000 0.5000000 0.1384645), wk = 0.0031153 k( 287) = ( 0.0000000 0.5000000 0.1523110), wk = 0.0031153 k( 288) = ( 0.0000000 0.5000000 0.1661574), wk = 0.0031153 k( 289) = ( 0.0000000 0.5000000 0.1800039), wk = 0.0031153 k( 290) = ( 0.0000000 0.5000000 0.1938503), wk = 0.0031153 k( 291) = ( 0.0000000 0.5000000 0.2076968), wk = 0.0031153 k( 292) = ( 0.0000000 0.5000000 0.2215432), wk = 0.0031153 k( 293) = ( 0.0000000 0.5000000 0.2353897), wk = 0.0031153 k( 294) = ( 0.0000000 0.5000000 0.2492362), wk = 0.0031153 k( 295) = ( 0.0000000 0.5000000 0.2630826), wk = 0.0031153 k( 296) = ( 0.0000000 0.5000000 0.2769291), wk = 0.0031153 k( 297) = ( 0.0000000 0.5000000 0.2907755), wk = 0.0031153 k( 298) = ( 0.0000000 0.5000000 0.3046220), wk = 0.0031153 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 300) = ( 0.5000000 0.5000000 0.0138465), wk = 0.0031153 k( 301) = ( 0.5000000 0.5000000 0.0276929), wk = 0.0031153 k( 302) = ( 0.5000000 0.5000000 0.0415394), wk = 0.0031153 k( 303) = ( 0.5000000 0.5000000 0.0553858), wk = 0.0031153 k( 304) = ( 0.5000000 0.5000000 0.0692323), wk = 0.0031153 k( 305) = ( 0.5000000 0.5000000 0.0830787), wk = 0.0031153 k( 306) = ( 0.5000000 0.5000000 0.0969252), wk = 0.0031153 k( 307) = ( 0.5000000 0.5000000 0.1107716), wk = 0.0031153 k( 308) = ( 0.5000000 0.5000000 0.1246181), wk = 0.0031153 k( 309) = ( 0.5000000 0.5000000 0.1384645), wk = 0.0031153 k( 310) = ( 0.5000000 0.5000000 0.1523110), wk = 0.0031153 k( 311) = ( 0.5000000 0.5000000 0.1661574), wk = 0.0031153 k( 312) = ( 0.5000000 0.5000000 0.1800039), wk = 0.0031153 k( 313) = ( 0.5000000 0.5000000 0.1938503), wk = 0.0031153 k( 314) = ( 0.5000000 0.5000000 0.2076968), wk = 0.0031153 k( 315) = ( 0.5000000 0.5000000 0.2215432), wk = 0.0031153 k( 316) = ( 0.5000000 0.5000000 0.2353897), wk = 0.0031153 k( 317) = ( 0.5000000 0.5000000 0.2492362), wk = 0.0031153 k( 318) = ( 0.5000000 0.5000000 0.2630826), wk = 0.0031153 k( 319) = ( 0.5000000 0.5000000 0.2769291), wk = 0.0031153 k( 320) = ( 0.5000000 0.5000000 0.2907755), wk = 0.0031153 k( 321) = ( 0.5000000 0.5000000 0.3046220), wk = 0.0031153 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0031153 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0031153 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0031153 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0031153 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0031153 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031153 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0031153 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0031153 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0031153 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0031153 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0031153 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031153 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0031153 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0031153 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0031153 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0031153 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0031153 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031153 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0031153 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0031153 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0031153 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0031153 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0031153 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031153 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0031153 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0031153 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0031153 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0031153 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0031153 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031153 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0031153 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0031153 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0031153 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0031153 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0031153 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0031153 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0031153 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0031153 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0031153 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0031153 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031153 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0031153 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0031153 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0031153 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0031153 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0031153 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031153 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0031153 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0031153 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0031153 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0031153 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0031153 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031153 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0031153 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0031153 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0031153 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0031153 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0031153 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031153 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0031153 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0031153 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0031153 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0031153 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0031153 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031153 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0031153 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0031153 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0031153 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0031153 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0031153 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0031153 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0031153 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0031153 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0031153 k( 80) = ( 0.4509804 0.4509804 0.0000000), wk = 0.0031153 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0031153 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0031153 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0031153 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0031153 k( 85) = ( 0.4019608 0.4019608 0.0000000), wk = 0.0031153 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0031153 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0031153 k( 88) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0031153 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0031153 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0031153 k( 91) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0031153 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031153 k( 93) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0031153 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0031153 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0031153 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0031153 k( 97) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0031153 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0031153 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0031153 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0031153 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0031153 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0031153 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0031153 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0031153 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0031153 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0031153 k( 107) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0031153 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031153 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0031153 k( 110) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0031153 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0031153 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0031153 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0031153 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0031153 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0031153 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0031153 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0031153 k( 118) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0031153 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0031153 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0031153 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0031153 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0031153 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0031153 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0031153 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0031153 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031153 k( 128) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0031153 k( 129) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031153 k( 130) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0031153 k( 131) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031153 k( 132) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0031153 k( 133) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031153 k( 134) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0031153 k( 135) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031153 k( 136) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0031153 k( 137) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031153 k( 138) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031153 k( 139) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031153 k( 140) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0031153 k( 141) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031153 k( 142) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0031153 k( 143) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031153 k( 144) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0031153 k( 145) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031153 k( 146) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0031153 k( 147) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0031153 k( 148) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0031153 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 151) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0031153 k( 152) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0031153 k( 153) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0031153 k( 154) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0031153 k( 155) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0031153 k( 156) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0031153 k( 157) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0031153 k( 158) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0031153 k( 159) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0031153 k( 160) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0031153 k( 161) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0031153 k( 162) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0031153 k( 163) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0031153 k( 164) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0031153 k( 165) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0031153 k( 166) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0031153 k( 167) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0031153 k( 168) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0031153 k( 169) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0031153 k( 170) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0031153 k( 171) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0031153 k( 172) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0031153 k( 173) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0031153 k( 174) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0031153 k( 175) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0031153 k( 176) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0031153 k( 177) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0031153 k( 178) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0031153 k( 179) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0031153 k( 180) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0031153 k( 181) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0031153 k( 182) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0031153 k( 183) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0031153 k( 184) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0031153 k( 185) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0031153 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 187) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 188) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0031153 k( 189) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0031153 k( 190) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0031153 k( 191) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0031153 k( 192) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0031153 k( 193) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0031153 k( 194) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0031153 k( 195) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0031153 k( 196) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0031153 k( 197) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0031153 k( 198) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0031153 k( 199) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0031153 k( 200) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0031153 k( 201) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0031153 k( 202) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0031153 k( 203) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0031153 k( 204) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0031153 k( 205) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0031153 k( 206) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0031153 k( 207) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0031153 k( 208) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0031153 k( 209) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0031153 k( 210) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0031153 k( 211) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0031153 k( 212) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0031153 k( 213) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0031153 k( 214) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0031153 k( 215) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0031153 k( 216) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0031153 k( 217) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0031153 k( 218) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0031153 k( 219) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0031153 k( 220) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0031153 k( 221) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0031153 k( 222) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0031153 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 k( 225) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0031153 k( 226) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0031153 k( 227) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0031153 k( 228) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0031153 k( 229) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0031153 k( 230) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0031153 k( 231) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0031153 k( 232) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0031153 k( 233) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0031153 k( 234) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0031153 k( 235) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0031153 k( 236) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0031153 k( 237) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0031153 k( 238) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0031153 k( 239) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0031153 k( 240) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0031153 k( 241) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031153 k( 242) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0031153 k( 243) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0031153 k( 244) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0031153 k( 245) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0031153 k( 246) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0031153 k( 247) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0031153 k( 248) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0031153 k( 249) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0031153 k( 250) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0031153 k( 251) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0031153 k( 252) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0031153 k( 253) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0031153 k( 254) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0031153 k( 255) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0031153 k( 256) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0031153 k( 257) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0031153 k( 258) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031153 k( 259) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0031153 k( 260) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0031153 k( 261) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0031153 k( 262) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0031153 k( 263) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0031153 k( 264) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0031153 k( 265) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0031153 k( 266) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0031153 k( 267) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0031153 k( 268) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0031153 k( 269) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0031153 k( 270) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0031153 k( 271) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0031153 k( 272) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0031153 k( 273) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0031153 k( 274) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0031153 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031153 k( 276) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031153 k( 277) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0031153 k( 278) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0031153 k( 279) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0031153 k( 280) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0031153 k( 281) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0031153 k( 282) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0031153 k( 283) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0031153 k( 284) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0031153 k( 285) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0031153 k( 286) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0031153 k( 287) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031153 k( 288) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0031153 k( 289) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0031153 k( 290) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0031153 k( 291) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0031153 k( 292) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0031153 k( 293) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0031153 k( 294) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0031153 k( 295) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0031153 k( 296) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0031153 k( 297) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0031153 k( 298) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031153 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031153 k( 300) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0031153 k( 301) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0031153 k( 302) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0031153 k( 303) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0031153 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0031153 k( 305) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0031153 k( 306) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0031153 k( 307) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0031153 k( 308) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0031153 k( 309) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0031153 k( 310) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031153 k( 311) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0031153 k( 312) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0031153 k( 313) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0031153 k( 314) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0031153 k( 315) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0031153 k( 316) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0031153 k( 317) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0031153 k( 318) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0031153 k( 319) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0031153 k( 320) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0031153 k( 321) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031153 Dense grid: 91081 G-vectors FFT dimensions: ( 48, 48, 80) Smooth grid: 45609 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 340, 58) NL pseudopotentials 0.43 Mb ( 170, 166) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2535) G-vector shells 0.01 Mb ( 1221) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 340, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 166, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaClF.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.2 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.7 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 16.8 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.0 secs Computing kpt #: 31 total cpu time spent up to now is 20.5 secs Computing kpt #: 32 total cpu time spent up to now is 21.1 secs Computing kpt #: 33 total cpu time spent up to now is 21.6 secs Computing kpt #: 34 total cpu time spent up to now is 22.2 secs Computing kpt #: 35 total cpu time spent up to now is 22.8 secs Computing kpt #: 36 total cpu time spent up to now is 23.4 secs Computing kpt #: 37 total cpu time spent up to now is 24.0 secs Computing kpt #: 38 total cpu time spent up to now is 24.6 secs Computing kpt #: 39 total cpu time spent up to now is 25.3 secs Computing kpt #: 40 total cpu time spent up to now is 25.9 secs Computing kpt #: 41 total cpu time spent up to now is 26.6 secs Computing kpt #: 42 total cpu time spent up to now is 27.2 secs Computing kpt #: 43 total cpu time spent up to now is 27.9 secs Computing kpt #: 44 total cpu time spent up to now is 28.6 secs Computing kpt #: 45 total cpu time spent up to now is 29.2 secs Computing kpt #: 46 total cpu time spent up to now is 29.9 secs Computing kpt #: 47 total cpu time spent up to now is 30.5 secs Computing kpt #: 48 total cpu time spent up to now is 31.2 secs Computing kpt #: 49 total cpu time spent up to now is 31.8 secs Computing kpt #: 50 total cpu time spent up to now is 32.5 secs Computing kpt #: 51 total cpu time spent up to now is 33.1 secs Computing kpt #: 52 total cpu time spent up to now is 33.8 secs Computing kpt #: 53 total cpu time spent up to now is 34.5 secs Computing kpt #: 54 total cpu time spent up to now is 35.1 secs Computing kpt #: 55 total cpu time spent up to now is 35.8 secs Computing kpt #: 56 total cpu time spent up to now is 36.5 secs Computing kpt #: 57 total cpu time spent up to now is 37.1 secs Computing kpt #: 58 total cpu time spent up to now is 37.8 secs Computing kpt #: 59 total cpu time spent up to now is 38.4 secs Computing kpt #: 60 total cpu time spent up to now is 39.1 secs Computing kpt #: 61 total cpu time spent up to now is 39.8 secs Computing kpt #: 62 total cpu time spent up to now is 40.4 secs Computing kpt #: 63 total cpu time spent up to now is 41.1 secs Computing kpt #: 64 total cpu time spent up to now is 41.7 secs Computing kpt #: 65 total cpu time spent up to now is 42.4 secs Computing kpt #: 66 total cpu time spent up to now is 43.1 secs Computing kpt #: 67 total cpu time spent up to now is 43.7 secs Computing kpt #: 68 total cpu time spent up to now is 44.4 secs Computing kpt #: 69 total cpu time spent up to now is 45.0 secs Computing kpt #: 70 total cpu time spent up to now is 45.7 secs Computing kpt #: 71 total cpu time spent up to now is 46.4 secs Computing kpt #: 72 total cpu time spent up to now is 47.0 secs Computing kpt #: 73 total cpu time spent up to now is 47.8 secs Computing kpt #: 74 total cpu time spent up to now is 48.5 secs Computing kpt #: 75 total cpu time spent up to now is 49.1 secs Computing kpt #: 76 total cpu time spent up to now is 49.9 secs Computing kpt #: 77 total cpu time spent up to now is 50.6 secs Computing kpt #: 78 total cpu time spent up to now is 51.3 secs Computing kpt #: 79 total cpu time spent up to now is 52.0 secs Computing kpt #: 80 total cpu time spent up to now is 52.6 secs Computing kpt #: 81 total cpu time spent up to now is 53.3 secs Computing kpt #: 82 total cpu time spent up to now is 53.9 secs Computing kpt #: 83 total cpu time spent up to now is 54.6 secs Computing kpt #: 84 total cpu time spent up to now is 55.2 secs Computing kpt #: 85 total cpu time spent up to now is 55.8 secs Computing kpt #: 86 total cpu time spent up to now is 56.4 secs Computing kpt #: 87 total cpu time spent up to now is 57.0 secs Computing kpt #: 88 total cpu time spent up to now is 57.5 secs Computing kpt #: 89 total cpu time spent up to now is 58.1 secs Computing kpt #: 90 total cpu time spent up to now is 58.6 secs Computing kpt #: 91 total cpu time spent up to now is 59.2 secs Computing kpt #: 92 total cpu time spent up to now is 59.7 secs Computing kpt #: 93 total cpu time spent up to now is 60.4 secs Computing kpt #: 94 total cpu time spent up to now is 60.9 secs Computing kpt #: 95 total cpu time spent up to now is 61.6 secs Computing kpt #: 96 total cpu time spent up to now is 62.2 secs Computing kpt #: 97 total cpu time spent up to now is 62.8 secs Computing kpt #: 98 total cpu time spent up to now is 63.7 secs Computing kpt #: 99 total cpu time spent up to now is 64.6 secs Computing kpt #: 100 total cpu time spent up to now is 65.2 secs Computing kpt #: 101 total cpu time spent up to now is 65.8 secs Computing kpt #: 102 total cpu time spent up to now is 66.4 secs Computing kpt #: 103 total cpu time spent up to now is 66.9 secs Computing kpt #: 104 total cpu time spent up to now is 67.5 secs Computing kpt #: 105 total cpu time spent up to now is 68.1 secs Computing kpt #: 106 total cpu time spent up to now is 68.8 secs Computing kpt #: 107 total cpu time spent up to now is 69.4 secs Computing kpt #: 108 total cpu time spent up to now is 70.0 secs Computing kpt #: 109 total cpu time spent up to now is 70.6 secs Computing kpt #: 110 total cpu time spent up to now is 71.2 secs Computing kpt #: 111 total cpu time spent up to now is 71.9 secs Computing kpt #: 112 total cpu time spent up to now is 72.4 secs Computing kpt #: 113 total cpu time spent up to now is 73.1 secs Computing kpt #: 114 total cpu time spent up to now is 73.6 secs Computing kpt #: 115 total cpu time spent up to now is 74.2 secs Computing kpt #: 116 total cpu time spent up to now is 74.8 secs Computing kpt #: 117 total cpu time spent up to now is 75.4 secs Computing kpt #: 118 total cpu time spent up to now is 76.0 secs Computing kpt #: 119 total cpu time spent up to now is 76.6 secs Computing kpt #: 120 total cpu time spent up to now is 77.2 secs Computing kpt #: 121 total cpu time spent up to now is 77.9 secs Computing kpt #: 122 total cpu time spent up to now is 78.5 secs Computing kpt #: 123 total cpu time spent up to now is 79.1 secs Computing kpt #: 124 total cpu time spent up to now is 79.7 secs Computing kpt #: 125 total cpu time spent up to now is 80.4 secs Computing kpt #: 126 total cpu time spent up to now is 81.0 secs Computing kpt #: 127 total cpu time spent up to now is 81.6 secs Computing kpt #: 128 total cpu time spent up to now is 82.2 secs Computing kpt #: 129 total cpu time spent up to now is 82.8 secs Computing kpt #: 130 total cpu time spent up to now is 83.4 secs Computing kpt #: 131 total cpu time spent up to now is 84.0 secs Computing kpt #: 132 total cpu time spent up to now is 84.7 secs Computing kpt #: 133 total cpu time spent up to now is 85.3 secs Computing kpt #: 134 total cpu time spent up to now is 85.9 secs Computing kpt #: 135 total cpu time spent up to now is 86.6 secs Computing kpt #: 136 total cpu time spent up to now is 87.2 secs Computing kpt #: 137 total cpu time spent up to now is 87.8 secs Computing kpt #: 138 total cpu time spent up to now is 88.5 secs Computing kpt #: 139 total cpu time spent up to now is 89.1 secs Computing kpt #: 140 total cpu time spent up to now is 89.7 secs Computing kpt #: 141 total cpu time spent up to now is 90.4 secs Computing kpt #: 142 total cpu time spent up to now is 91.0 secs Computing kpt #: 143 total cpu time spent up to now is 91.7 secs Computing kpt #: 144 total cpu time spent up to now is 92.3 secs Computing kpt #: 145 total cpu time spent up to now is 92.9 secs Computing kpt #: 146 total cpu time spent up to now is 93.5 secs Computing kpt #: 147 total cpu time spent up to now is 94.2 secs Computing kpt #: 148 total cpu time spent up to now is 94.8 secs Computing kpt #: 149 total cpu time spent up to now is 95.4 secs Computing kpt #: 150 total cpu time spent up to now is 96.0 secs Computing kpt #: 151 total cpu time spent up to now is 96.7 secs Computing kpt #: 152 total cpu time spent up to now is 97.4 secs Computing kpt #: 153 total cpu time spent up to now is 98.0 secs Computing kpt #: 154 total cpu time spent up to now is 98.6 secs Computing kpt #: 155 total cpu time spent up to now is 99.3 secs Computing kpt #: 156 total cpu time spent up to now is 99.9 secs Computing kpt #: 157 total cpu time spent up to now is 100.5 secs Computing kpt #: 158 total cpu time spent up to now is 101.2 secs Computing kpt #: 159 total cpu time spent up to now is 101.8 secs Computing kpt #: 160 total cpu time spent up to now is 102.5 secs Computing kpt #: 161 total cpu time spent up to now is 103.1 secs Computing kpt #: 162 total cpu time spent up to now is 103.7 secs Computing kpt #: 163 total cpu time spent up to now is 104.4 secs Computing kpt #: 164 total cpu time spent up to now is 105.0 secs Computing kpt #: 165 total cpu time spent up to now is 105.6 secs Computing kpt #: 166 total cpu time spent up to now is 106.3 secs Computing kpt #: 167 total cpu time spent up to now is 106.9 secs Computing kpt #: 168 total cpu time spent up to now is 107.6 secs Computing kpt #: 169 total cpu time spent up to now is 108.3 secs Computing kpt #: 170 total cpu time spent up to now is 108.9 secs Computing kpt #: 171 total cpu time spent up to now is 109.5 secs Computing kpt #: 172 total cpu time spent up to now is 111.7 secs Computing kpt #: 173 total cpu time spent up to now is 112.3 secs Computing kpt #: 174 total cpu time spent up to now is 112.9 secs Computing kpt #: 175 total cpu time spent up to now is 113.6 secs Computing kpt #: 176 total cpu time spent up to now is 114.2 secs Computing kpt #: 177 total cpu time spent up to now is 114.9 secs Computing kpt #: 178 total cpu time spent up to now is 115.4 secs Computing kpt #: 179 total cpu time spent up to now is 116.0 secs Computing kpt #: 180 total cpu time spent up to now is 116.6 secs Computing kpt #: 181 total cpu time spent up to now is 117.3 secs Computing kpt #: 182 total cpu time spent up to now is 117.9 secs Computing kpt #: 183 total cpu time spent up to now is 118.5 secs Computing kpt #: 184 total cpu time spent up to now is 119.1 secs Computing kpt #: 185 total cpu time spent up to now is 119.8 secs Computing kpt #: 186 total cpu time spent up to now is 120.3 secs Computing kpt #: 187 total cpu time spent up to now is 120.9 secs Computing kpt #: 188 total cpu time spent up to now is 121.6 secs Computing kpt #: 189 total cpu time spent up to now is 122.3 secs Computing kpt #: 190 total cpu time spent up to now is 122.9 secs Computing kpt #: 191 total cpu time spent up to now is 123.6 secs Computing kpt #: 192 total cpu time spent up to now is 124.2 secs Computing kpt #: 193 total cpu time spent up to now is 124.8 secs Computing kpt #: 194 total cpu time spent up to now is 125.5 secs Computing kpt #: 195 total cpu time spent up to now is 126.1 secs Computing kpt #: 196 total cpu time spent up to now is 126.7 secs Computing kpt #: 197 total cpu time spent up to now is 127.4 secs Computing kpt #: 198 total cpu time spent up to now is 128.0 secs Computing kpt #: 199 total cpu time spent up to now is 128.6 secs Computing kpt #: 200 total cpu time spent up to now is 129.3 secs Computing kpt #: 201 total cpu time spent up to now is 129.9 secs Computing kpt #: 202 total cpu time spent up to now is 130.6 secs Computing kpt #: 203 total cpu time spent up to now is 131.2 secs Computing kpt #: 204 total cpu time spent up to now is 131.8 secs Computing kpt #: 205 total cpu time spent up to now is 132.5 secs Computing kpt #: 206 total cpu time spent up to now is 133.1 secs Computing kpt #: 207 total cpu time spent up to now is 133.8 secs Computing kpt #: 208 total cpu time spent up to now is 134.4 secs Computing kpt #: 209 total cpu time spent up to now is 135.1 secs Computing kpt #: 210 total cpu time spent up to now is 135.7 secs Computing kpt #: 211 total cpu time spent up to now is 136.4 secs Computing kpt #: 212 total cpu time spent up to now is 137.0 secs Computing kpt #: 213 total cpu time spent up to now is 137.7 secs Computing kpt #: 214 total cpu time spent up to now is 138.3 secs Computing kpt #: 215 total cpu time spent up to now is 138.9 secs Computing kpt #: 216 total cpu time spent up to now is 139.6 secs Computing kpt #: 217 total cpu time spent up to now is 140.2 secs Computing kpt #: 218 total cpu time spent up to now is 140.9 secs Computing kpt #: 219 total cpu time spent up to now is 141.5 secs Computing kpt #: 220 total cpu time spent up to now is 142.2 secs Computing kpt #: 221 total cpu time spent up to now is 142.8 secs Computing kpt #: 222 total cpu time spent up to now is 143.4 secs Computing kpt #: 223 total cpu time spent up to now is 143.9 secs Computing kpt #: 224 total cpu time spent up to now is 144.5 secs Computing kpt #: 225 total cpu time spent up to now is 145.1 secs Computing kpt #: 226 total cpu time spent up to now is 145.7 secs Computing kpt #: 227 total cpu time spent up to now is 146.2 secs Computing kpt #: 228 total cpu time spent up to now is 146.8 secs Computing kpt #: 229 total cpu time spent up to now is 147.4 secs Computing kpt #: 230 total cpu time spent up to now is 148.0 secs Computing kpt #: 231 total cpu time spent up to now is 148.6 secs Computing kpt #: 232 total cpu time spent up to now is 149.1 secs Computing kpt #: 233 total cpu time spent up to now is 149.7 secs Computing kpt #: 234 total cpu time spent up to now is 150.4 secs Computing kpt #: 235 total cpu time spent up to now is 151.0 secs Computing kpt #: 236 total cpu time spent up to now is 151.7 secs Computing kpt #: 237 total cpu time spent up to now is 152.3 secs Computing kpt #: 238 total cpu time spent up to now is 153.0 secs Computing kpt #: 239 total cpu time spent up to now is 153.6 secs Computing kpt #: 240 total cpu time spent up to now is 154.3 secs Computing kpt #: 241 total cpu time spent up to now is 155.0 secs Computing kpt #: 242 total cpu time spent up to now is 155.6 secs Computing kpt #: 243 total cpu time spent up to now is 156.3 secs Computing kpt #: 244 total cpu time spent up to now is 156.9 secs Computing kpt #: 245 total cpu time spent up to now is 157.6 secs Computing kpt #: 246 total cpu time spent up to now is 158.2 secs Computing kpt #: 247 total cpu time spent up to now is 158.9 secs Computing kpt #: 248 total cpu time spent up to now is 159.6 secs Computing kpt #: 249 total cpu time spent up to now is 160.2 secs Computing kpt #: 250 total cpu time spent up to now is 160.9 secs Computing kpt #: 251 total cpu time spent up to now is 161.5 secs Computing kpt #: 252 total cpu time spent up to now is 162.1 secs Computing kpt #: 253 total cpu time spent up to now is 162.8 secs Computing kpt #: 254 total cpu time spent up to now is 163.4 secs Computing kpt #: 255 total cpu time spent up to now is 164.1 secs Computing kpt #: 256 total cpu time spent up to now is 164.7 secs Computing kpt #: 257 total cpu time spent up to now is 165.4 secs Computing kpt #: 258 total cpu time spent up to now is 166.0 secs Computing kpt #: 259 total cpu time spent up to now is 166.7 secs Computing kpt #: 260 total cpu time spent up to now is 167.3 secs Computing kpt #: 261 total cpu time spent up to now is 167.9 secs Computing kpt #: 262 total cpu time spent up to now is 168.6 secs Computing kpt #: 263 total cpu time spent up to now is 169.2 secs Computing kpt #: 264 total cpu time spent up to now is 169.9 secs Computing kpt #: 265 total cpu time spent up to now is 170.5 secs Computing kpt #: 266 total cpu time spent up to now is 171.2 secs Computing kpt #: 267 total cpu time spent up to now is 171.8 secs Computing kpt #: 268 total cpu time spent up to now is 172.4 secs Computing kpt #: 269 total cpu time spent up to now is 173.1 secs Computing kpt #: 270 total cpu time spent up to now is 173.7 secs Computing kpt #: 271 total cpu time spent up to now is 174.3 secs Computing kpt #: 272 total cpu time spent up to now is 175.0 secs Computing kpt #: 273 total cpu time spent up to now is 175.6 secs Computing kpt #: 274 total cpu time spent up to now is 176.3 secs Computing kpt #: 275 total cpu time spent up to now is 176.9 secs Computing kpt #: 276 total cpu time spent up to now is 177.5 secs Computing kpt #: 277 total cpu time spent up to now is 178.0 secs Computing kpt #: 278 total cpu time spent up to now is 178.6 secs Computing kpt #: 279 total cpu time spent up to now is 179.2 secs Computing kpt #: 280 total cpu time spent up to now is 179.7 secs Computing kpt #: 281 total cpu time spent up to now is 180.3 secs Computing kpt #: 282 total cpu time spent up to now is 180.9 secs Computing kpt #: 283 total cpu time spent up to now is 181.4 secs Computing kpt #: 284 total cpu time spent up to now is 182.0 secs Computing kpt #: 285 total cpu time spent up to now is 182.6 secs Computing kpt #: 286 total cpu time spent up to now is 183.2 secs Computing kpt #: 287 total cpu time spent up to now is 183.7 secs Computing kpt #: 288 total cpu time spent up to now is 184.4 secs Computing kpt #: 289 total cpu time spent up to now is 184.9 secs Computing kpt #: 290 total cpu time spent up to now is 185.5 secs Computing kpt #: 291 total cpu time spent up to now is 186.0 secs Computing kpt #: 292 total cpu time spent up to now is 186.6 secs Computing kpt #: 293 total cpu time spent up to now is 187.1 secs Computing kpt #: 294 total cpu time spent up to now is 187.7 secs Computing kpt #: 295 total cpu time spent up to now is 188.3 secs Computing kpt #: 296 total cpu time spent up to now is 188.9 secs Computing kpt #: 297 total cpu time spent up to now is 189.5 secs Computing kpt #: 298 total cpu time spent up to now is 190.0 secs Computing kpt #: 299 total cpu time spent up to now is 190.8 secs Computing kpt #: 300 total cpu time spent up to now is 191.4 secs Computing kpt #: 301 total cpu time spent up to now is 192.1 secs Computing kpt #: 302 total cpu time spent up to now is 192.7 secs Computing kpt #: 303 total cpu time spent up to now is 193.4 secs Computing kpt #: 304 total cpu time spent up to now is 194.0 secs Computing kpt #: 305 total cpu time spent up to now is 194.6 secs Computing kpt #: 306 total cpu time spent up to now is 195.3 secs Computing kpt #: 307 total cpu time spent up to now is 195.8 secs Computing kpt #: 308 total cpu time spent up to now is 196.4 secs Computing kpt #: 309 total cpu time spent up to now is 197.0 secs Computing kpt #: 310 total cpu time spent up to now is 197.6 secs Computing kpt #: 311 total cpu time spent up to now is 198.1 secs Computing kpt #: 312 total cpu time spent up to now is 198.7 secs Computing kpt #: 313 total cpu time spent up to now is 199.2 secs Computing kpt #: 314 total cpu time spent up to now is 199.7 secs Computing kpt #: 315 total cpu time spent up to now is 200.3 secs Computing kpt #: 316 total cpu time spent up to now is 200.8 secs Computing kpt #: 317 total cpu time spent up to now is 201.4 secs Computing kpt #: 318 total cpu time spent up to now is 201.9 secs Computing kpt #: 319 total cpu time spent up to now is 202.5 secs Computing kpt #: 320 total cpu time spent up to now is 203.0 secs Computing kpt #: 321 total cpu time spent up to now is 203.6 secs ethr = 2.08E-08, avg # of iterations = 21.5 total cpu time spent up to now is 203.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -20.1252 -20.1252 -19.9551 -19.9551 -16.0042 -16.0042 -15.9671 -15.9671 -8.2151 -8.2151 -7.8647 -7.8647 -6.5723 -6.5723 -6.5199 -6.5199 -4.7716 -4.7716 -4.4904 -4.4904 -4.4729 -4.4729 -4.4687 -4.4687 1.9737 1.9737 2.0923 2.0923 2.1011 2.1011 2.1730 2.1730 2.6865 2.6865 2.7408 2.7408 3.3448 3.3448 3.5963 3.5963 3.7278 3.7278 4.2045 4.2045 4.3660 4.3660 4.4162 4.4162 9.8278 9.8278 10.4912 10.4912 11.3462 11.3462 11.4941 11.4941 11.6769 11.6769 k = 0.0000 0.0139-0.0000 ( 5699 PWs) bands (ev): -20.1250 -20.1250 -19.9551 -19.9551 -16.0043 -16.0043 -15.9672 -15.9672 -8.2151 -8.2151 -7.8652 -7.8652 -6.5720 -6.5720 -6.5198 -6.5198 -4.7712 -4.7712 -4.4907 -4.4907 -4.4732 -4.4732 -4.4686 -4.4686 1.9737 1.9737 2.0925 2.0925 2.1014 2.1014 2.1732 2.1732 2.6864 2.6864 2.7407 2.7407 3.3455 3.3455 3.5961 3.5961 3.7274 3.7274 4.2034 4.2034 4.3644 4.3644 4.4156 4.4156 9.8310 9.8310 10.4952 10.4952 11.3461 11.3461 11.4958 11.4958 11.6788 11.6788 k = 0.0000 0.0278-0.0000 ( 5689 PWs) bands (ev): -20.1245 -20.1245 -19.9551 -19.9551 -16.0046 -16.0046 -15.9677 -15.9677 -8.2152 -8.2152 -7.8665 -7.8665 -6.5713 -6.5713 -6.5197 -6.5197 -4.7702 -4.7702 -4.4914 -4.4914 -4.4738 -4.4738 -4.4682 -4.4682 1.9740 1.9740 2.0934 2.0934 2.1025 2.1025 2.1739 2.1739 2.6861 2.6861 2.7404 2.7404 3.3477 3.3477 3.5954 3.5954 3.7264 3.7264 4.2000 4.2000 4.3599 4.3599 4.4137 4.4137 9.8405 9.8405 10.5070 10.5070 11.3459 11.3459 11.5008 11.5008 11.6845 11.6845 k = 0.0000 0.0417-0.0000 ( 5701 PWs) bands (ev): -20.1237 -20.1237 -19.9550 -19.9550 -16.0052 -16.0052 -15.9685 -15.9685 -8.2153 -8.2153 -7.8688 -7.8688 -6.5700 -6.5700 -6.5195 -6.5195 -4.7686 -4.7686 -4.4926 -4.4926 -4.4747 -4.4747 -4.4678 -4.4678 1.9743 1.9743 2.0949 2.0949 2.1041 2.1041 2.1751 2.1751 2.6854 2.6854 2.7400 2.7400 3.3512 3.3512 3.5944 3.5944 3.7247 3.7247 4.1943 4.1943 4.3523 4.3523 4.4105 4.4105 9.8563 9.8563 10.5266 10.5266 11.3456 11.3456 11.5089 11.5089 11.6940 11.6940 k = 0.0000 0.0556-0.0000 ( 5705 PWs) bands (ev): -20.1226 -20.1226 -19.9550 -19.9550 -16.0059 -16.0059 -15.9696 -15.9696 -8.2154 -8.2154 -7.8719 -7.8719 -6.5684 -6.5684 -6.5192 -6.5192 -4.7663 -4.7663 -4.4942 -4.4942 -4.4757 -4.4757 -4.4673 -4.4673 1.9748 1.9748 2.0969 2.0969 2.1065 2.1065 2.1768 2.1768 2.6842 2.6842 2.7396 2.7396 3.3562 3.3562 3.5929 3.5929 3.7224 3.7224 4.1862 4.1862 4.3419 4.3419 4.4064 4.4064 9.8783 9.8783 10.5538 10.5538 11.3450 11.3450 11.5200 11.5200 11.7072 11.7072 k = 0.0000 0.0694-0.0000 ( 5699 PWs) bands (ev): -20.1211 -20.1211 -19.9549 -19.9549 -16.0069 -16.0069 -15.9710 -15.9710 -8.2155 -8.2155 -7.8759 -7.8759 -6.5662 -6.5662 -6.5188 -6.5188 -4.7634 -4.7634 -4.4963 -4.4963 -4.4769 -4.4769 -4.4669 -4.4669 1.9755 1.9755 2.0995 2.0995 2.1095 2.1095 2.1790 2.1790 2.6823 2.6823 2.7394 2.7394 3.3624 3.3624 3.5911 3.5911 3.7195 3.7195 4.1756 4.1756 4.3290 4.3290 4.4012 4.4012 9.9065 9.9065 10.5883 10.5883 11.3443 11.3443 11.5337 11.5337 11.7240 11.7240 k = 0.0000 0.0833-0.0000 ( 5703 PWs) bands (ev): -20.1193 -20.1193 -19.9548 -19.9548 -16.0081 -16.0081 -15.9727 -15.9727 -8.2157 -8.2157 -7.8806 -7.8806 -6.5637 -6.5637 -6.5183 -6.5183 -4.7599 -4.7599 -4.4989 -4.4989 -4.4782 -4.4782 -4.4664 -4.4664 1.9763 1.9763 2.1026 2.1026 2.1132 2.1132 2.1816 2.1816 2.6795 2.6795 2.7396 2.7396 3.3698 3.3698 3.5890 3.5890 3.7161 3.7161 4.1624 4.1624 4.3139 4.3139 4.3951 4.3951 9.9407 9.9407 10.6298 10.6298 11.3433 11.3433 11.5496 11.5496 11.7442 11.7442 k = 0.0000 0.0972-0.0000 ( 5699 PWs) bands (ev): -20.1172 -20.1172 -19.9547 -19.9547 -16.0094 -16.0094 -15.9746 -15.9746 -8.2158 -8.2158 -7.8861 -7.8861 -6.5609 -6.5609 -6.5178 -6.5178 -4.7559 -4.7559 -4.5018 -4.5018 -4.4796 -4.4796 -4.4660 -4.4660 1.9773 1.9773 2.1062 2.1062 2.1174 2.1174 2.1847 2.1847 2.6757 2.6757 2.7402 2.7402 3.3783 3.3783 3.5866 3.5866 3.7122 3.7122 4.1466 4.1466 4.2970 4.2970 4.3882 4.3882 9.9809 9.9809 10.6780 10.6780 11.3420 11.3420 11.5670 11.5670 11.7678 11.7678 k = 0.0000 0.1111-0.0000 ( 5699 PWs) bands (ev): -20.1148 -20.1148 -19.9546 -19.9546 -16.0110 -16.0110 -15.9768 -15.9768 -8.2160 -8.2160 -7.8924 -7.8924 -6.5577 -6.5577 -6.5171 -6.5171 -4.7513 -4.7513 -4.5052 -4.5052 -4.4811 -4.4811 -4.4655 -4.4655 1.9785 1.9785 2.1103 2.1103 2.1223 2.1223 2.1882 2.1882 2.6708 2.6708 2.7414 2.7414 3.3878 3.3878 3.5839 3.5839 3.7078 3.7078 4.1281 4.1281 4.2789 4.2789 4.3806 4.3806 10.0269 10.0269 10.7324 10.7324 11.3403 11.3403 11.5850 11.5850 11.7944 11.7944 k = 0.0000 0.1250-0.0000 ( 5693 PWs) bands (ev): -20.1121 -20.1121 -19.9545 -19.9545 -16.0127 -16.0127 -15.9793 -15.9793 -8.2161 -8.2161 -7.8992 -7.8992 -6.5542 -6.5542 -6.5164 -6.5164 -4.7463 -4.7463 -4.5088 -4.5088 -4.4828 -4.4828 -4.4650 -4.4650 1.9799 1.9799 2.1148 2.1148 2.1277 2.1277 2.1922 2.1922 2.6648 2.6648 2.7430 2.7430 3.3981 3.3981 3.5811 3.5811 3.7031 3.7031 4.1071 4.1071 4.2598 4.2598 4.3722 4.3722 10.0785 10.0785 10.7925 10.7925 11.3381 11.3381 11.6022 11.6022 11.8237 11.8237 k = 0.0000 0.1389-0.0000 ( 5697 PWs) bands (ev): -20.1092 -20.1092 -19.9544 -19.9544 -16.0146 -16.0146 -15.9820 -15.9820 -8.2161 -8.2161 -7.9067 -7.9067 -6.5506 -6.5506 -6.5157 -6.5157 -4.7408 -4.7408 -4.5128 -4.5128 -4.4845 -4.4845 -4.4645 -4.4645 1.9815 1.9815 2.1197 2.1197 2.1336 2.1336 2.1967 2.1967 2.6578 2.6578 2.7451 2.7451 3.4090 3.4090 3.5782 3.5782 3.6980 3.6980 4.0838 4.0838 4.2401 4.2401 4.3631 4.3631 10.1356 10.1356 10.8576 10.8576 11.3354 11.3354 11.6170 11.6170 11.8555 11.8555 k = 0.0000 0.1528-0.0000 ( 5699 PWs) bands (ev): -20.1060 -20.1060 -19.9543 -19.9543 -16.0166 -16.0166 -15.9849 -15.9849 -8.2161 -8.2161 -7.9147 -7.9147 -6.5468 -6.5468 -6.5148 -6.5148 -4.7350 -4.7350 -4.5170 -4.5170 -4.4864 -4.4864 -4.4639 -4.4639 1.9834 1.9834 2.1250 2.1250 2.1399 2.1399 2.2015 2.2015 2.6498 2.6498 2.7474 2.7474 3.4203 3.4203 3.5752 3.5752 3.6928 3.6928 4.0585 4.0585 4.2200 4.2200 4.3534 4.3534 10.1979 10.1979 10.9272 10.9272 11.3320 11.3320 11.6274 11.6274 11.8889 11.8889 k = 0.0000 0.1667-0.0000 ( 5693 PWs) bands (ev): -20.1025 -20.1025 -19.9543 -19.9543 -16.0187 -16.0187 -15.9880 -15.9880 -8.2161 -8.2161 -7.9232 -7.9232 -6.5429 -6.5429 -6.5140 -6.5140 -4.7289 -4.7289 -4.5214 -4.5214 -4.4883 -4.4883 -4.4633 -4.4633 1.9856 1.9856 2.1306 2.1306 2.1467 2.1467 2.2068 2.2068 2.6408 2.6408 2.7497 2.7497 3.4317 3.4317 3.5722 3.5722 3.6874 3.6874 4.0319 4.0319 4.1995 4.1995 4.3432 4.3432 10.2653 10.2653 11.0005 11.0005 11.3278 11.3278 11.6312 11.6312 11.9229 11.9229 k = 0.0000 0.1806-0.0000 ( 5703 PWs) bands (ev): -20.0988 -20.0988 -19.9544 -19.9544 -16.0209 -16.0209 -15.9912 -15.9912 -8.2159 -8.2159 -7.9321 -7.9321 -6.5389 -6.5389 -6.5130 -6.5130 -4.7225 -4.7225 -4.5261 -4.5261 -4.4903 -4.4903 -4.4626 -4.4626 1.9880 1.9880 2.1363 2.1363 2.1539 2.1539 2.2124 2.2124 2.6311 2.6311 2.7520 2.7520 3.4429 3.4429 3.5693 3.5693 3.6820 3.6820 4.0047 4.0047 4.1788 4.1788 4.3324 4.3324 10.3374 10.3374 11.0766 11.0766 11.3228 11.3228 11.6273 11.6273 11.9559 11.9559 k = 0.0000 0.1944-0.0000 ( 5715 PWs) bands (ev): -20.0949 -20.0949 -19.9545 -19.9545 -16.0233 -16.0233 -15.9946 -15.9946 -8.2156 -8.2156 -7.9413 -7.9413 -6.5349 -6.5349 -6.5120 -6.5120 -4.7159 -4.7159 -4.5309 -4.5309 -4.4922 -4.4922 -4.4620 -4.4620 1.9908 1.9908 2.1423 2.1423 2.1615 2.1615 2.2185 2.2185 2.6208 2.6208 2.7539 2.7539 3.4537 3.4537 3.5664 3.5664 3.6765 3.6765 3.9775 3.9775 4.1578 4.1578 4.3212 4.3212 10.4140 10.4140 11.1543 11.1543 11.3168 11.3168 11.6159 11.6159 11.9865 11.9865 k = 0.0000 0.2083-0.0000 ( 5719 PWs) bands (ev): -20.0908 -20.0908 -19.9547 -19.9547 -16.0257 -16.0257 -15.9981 -15.9981 -8.2151 -8.2151 -7.9509 -7.9509 -6.5310 -6.5310 -6.5110 -6.5110 -4.7093 -4.7093 -4.5358 -4.5358 -4.4941 -4.4941 -4.4613 -4.4613 1.9939 1.9939 2.1484 2.1484 2.1694 2.1694 2.2249 2.2249 2.6098 2.6098 2.7554 2.7554 3.4635 3.4635 3.5636 3.5636 3.6711 3.6711 3.9514 3.9514 4.1365 4.1365 4.3096 4.3096 10.4948 10.4948 11.2321 11.2321 11.3098 11.3098 11.5986 11.5986 12.0150 12.0150 k = 0.0000 0.2222-0.0000 ( 5717 PWs) bands (ev): -20.0865 -20.0865 -19.9549 -19.9549 -16.0281 -16.0281 -16.0018 -16.0018 -8.2145 -8.2145 -7.9607 -7.9607 -6.5272 -6.5272 -6.5098 -6.5098 -4.7026 -4.7026 -4.5407 -4.5407 -4.4958 -4.4958 -4.4607 -4.4607 1.9973 1.9973 2.1545 2.1545 2.1775 2.1775 2.2318 2.2318 2.5983 2.5983 2.7561 2.7561 3.4720 3.4720 3.5610 3.5610 3.6658 3.6658 3.9270 3.9270 4.1150 4.1150 4.2976 4.2976 10.5794 10.5794 11.2997 11.2997 11.3100 11.3100 11.5778 11.5778 12.0426 12.0426 k = 0.0000 0.2361-0.0000 ( 5715 PWs) bands (ev): -20.0821 -20.0821 -19.9553 -19.9553 -16.0306 -16.0306 -16.0054 -16.0054 -8.2137 -8.2137 -7.9707 -7.9707 -6.5236 -6.5236 -6.5087 -6.5087 -4.6959 -4.6959 -4.5458 -4.5458 -4.4973 -4.4973 -4.4600 -4.4600 2.0012 2.0012 2.1605 2.1605 2.1859 2.1859 2.2390 2.2390 2.5864 2.5864 2.7559 2.7559 3.4787 3.4787 3.5585 3.5585 3.6607 3.6607 3.9055 3.9055 4.0932 4.0932 4.2853 4.2853 10.6674 10.6674 11.2920 11.2920 11.3781 11.3781 11.5579 11.5579 12.0392 12.0392 k = 0.0000 0.2500-0.0000 ( 5719 PWs) bands (ev): -20.0775 -20.0775 -19.9557 -19.9557 -16.0331 -16.0331 -16.0092 -16.0092 -8.2127 -8.2127 -7.9808 -7.9808 -6.5201 -6.5201 -6.5074 -6.5074 -4.6893 -4.6893 -4.5508 -4.5508 -4.4986 -4.4986 -4.4594 -4.4594 2.0055 2.0055 2.1663 2.1663 2.1945 2.1945 2.2467 2.2467 2.5742 2.5742 2.7545 2.7545 3.4833 3.4833 3.5561 3.5561 3.6558 3.6558 3.8875 3.8875 4.0713 4.0713 4.2727 4.2727 10.7583 10.7583 11.2818 11.2818 11.4292 11.4292 11.5505 11.5505 11.9910 11.9910 k = 0.0000 0.2639-0.0000 ( 5717 PWs) bands (ev): -20.0727 -20.0727 -19.9563 -19.9563 -16.0356 -16.0356 -16.0129 -16.0129 -8.2115 -8.2115 -7.9910 -7.9910 -6.5169 -6.5169 -6.5061 -6.5061 -4.6829 -4.6829 -4.5559 -4.5559 -4.4997 -4.4997 -4.4588 -4.4588 2.0103 2.0103 2.1719 2.1719 2.2032 2.2032 2.2547 2.2547 2.5617 2.5617 2.7518 2.7518 3.4855 3.4855 3.5540 3.5540 3.6512 3.6512 3.8737 3.8737 4.0491 4.0491 4.2599 4.2599 10.8511 10.8511 11.2710 11.2710 11.4404 11.4404 11.5760 11.5760 11.9467 11.9467 k = 0.0000 0.2778-0.0000 ( 5705 PWs) bands (ev): -20.0679 -20.0679 -19.9570 -19.9570 -16.0381 -16.0381 -16.0167 -16.0167 -8.2100 -8.2100 -8.0012 -8.0012 -6.5139 -6.5139 -6.5047 -6.5047 -4.6768 -4.6768 -4.5609 -4.5609 -4.5004 -4.5004 -4.4583 -4.4583 2.0155 2.0155 2.1772 2.1772 2.2120 2.2120 2.2631 2.2631 2.5491 2.5491 2.7475 2.7475 3.4853 3.4853 3.5521 3.5521 3.6467 3.6467 3.8644 3.8644 4.0269 4.0269 4.2469 4.2469 10.9447 10.9447 11.2606 11.2606 11.4226 11.4226 11.6217 11.6217 11.9070 11.9070 k = 0.0000 0.2917-0.0000 ( 5705 PWs) bands (ev): -20.0630 -20.0630 -19.9578 -19.9578 -16.0405 -16.0405 -16.0204 -16.0204 -8.2083 -8.2083 -8.0114 -8.0114 -6.5113 -6.5113 -6.5032 -6.5032 -4.6709 -4.6709 -4.5659 -4.5659 -4.5007 -4.5007 -4.4579 -4.4579 2.0213 2.0213 2.1820 2.1820 2.2209 2.2209 2.2720 2.2720 2.5363 2.5363 2.7413 2.7413 3.4829 3.4829 3.5507 3.5507 3.6425 3.6425 3.8596 3.8596 4.0047 4.0047 4.2339 4.2339 11.0358 11.0358 11.2535 11.2535 11.3959 11.3959 11.6658 11.6658 11.8720 11.8720 k = 0.0000 0.3056-0.0000 ( 5709 PWs) bands (ev): -20.0580 -20.0580 -19.9588 -19.9588 -16.0428 -16.0428 -16.0240 -16.0240 -8.2063 -8.2063 -8.0216 -8.0216 -6.5089 -6.5089 -6.5016 -6.5016 -4.6654 -4.6654 -4.5707 -4.5707 -4.5007 -4.5007 -4.4576 -4.4576 2.0276 2.0276 2.1863 2.1863 2.2299 2.2299 2.2813 2.2813 2.5235 2.5235 2.7333 2.7333 3.4788 3.4788 3.5496 3.5496 3.6385 3.6385 3.8589 3.8589 3.9827 3.9827 4.2207 4.2207 11.1138 11.1138 11.2598 11.2598 11.3668 11.3668 11.7005 11.7005 11.8423 11.8423 k = 0.0000 0.3194-0.0000 ( 5701 PWs) bands (ev): -20.0530 -20.0530 -19.9600 -19.9600 -16.0450 -16.0450 -16.0276 -16.0276 -8.2040 -8.2040 -8.0317 -8.0317 -6.5069 -6.5069 -6.5000 -6.5000 -4.6603 -4.6603 -4.5755 -4.5755 -4.5002 -4.5002 -4.4574 -4.4574 2.0344 2.0344 2.1899 2.1899 2.2388 2.2388 2.2911 2.2911 2.5108 2.5108 2.7233 2.7233 3.4738 3.4738 3.5489 3.5489 3.6349 3.6349 3.8617 3.8617 3.9611 3.9611 4.2075 4.2075 11.1533 11.1533 11.3032 11.3032 11.3385 11.3385 11.7235 11.7235 11.8184 11.8184 k = 0.0000 0.3333-0.0000 ( 5701 PWs) bands (ev): -20.0480 -20.0480 -19.9613 -19.9613 -16.0472 -16.0472 -16.0310 -16.0310 -8.2015 -8.2015 -8.0417 -8.0417 -6.5051 -6.5051 -6.4984 -6.4984 -4.6556 -4.6556 -4.5801 -4.5801 -4.4994 -4.4994 -4.4573 -4.4573 2.0418 2.0418 2.1929 2.1929 2.2478 2.2478 2.3012 2.3012 2.4982 2.4982 2.7113 2.7113 3.4686 3.4686 3.5485 3.5485 3.6317 3.6317 3.8667 3.8667 3.9403 3.9403 4.1942 4.1942 11.1563 11.1563 11.3058 11.3058 11.3870 11.3870 11.7348 11.7348 11.8009 11.8009 k = 0.0000 0.3472-0.0000 ( 5703 PWs) bands (ev): -20.0429 -20.0429 -19.9628 -19.9628 -16.0491 -16.0491 -16.0344 -16.0344 -8.1986 -8.1986 -8.0516 -8.0516 -6.5035 -6.5035 -6.4969 -6.4969 -4.6513 -4.6513 -4.5845 -4.5845 -4.4981 -4.4981 -4.4574 -4.4574 2.0497 2.0497 2.1950 2.1950 2.2567 2.2567 2.3118 2.3118 2.4858 2.4858 2.6974 2.6974 3.4638 3.4638 3.5480 3.5480 3.6293 3.6293 3.8720 3.8720 3.9221 3.9221 4.1810 4.1810 11.1471 11.1471 11.2776 11.2776 11.4772 11.4772 11.7370 11.7370 11.7895 11.7895 k = 0.0000 0.3611-0.0000 ( 5697 PWs) bands (ev): -20.0379 -20.0379 -19.9645 -19.9645 -16.0510 -16.0510 -16.0375 -16.0375 -8.1954 -8.1954 -8.0613 -8.0613 -6.5021 -6.5021 -6.4955 -6.4955 -4.6474 -4.6474 -4.5888 -4.5888 -4.4965 -4.4965 -4.4576 -4.4576 2.0581 2.0581 2.1963 2.1963 2.2656 2.2656 2.3228 2.3228 2.4737 2.4737 2.6816 2.6816 3.4600 3.4600 3.5472 3.5472 3.6278 3.6278 3.8717 3.8717 3.9114 3.9114 4.1677 4.1677 11.1344 11.1344 11.2500 11.2500 11.5648 11.5648 11.7374 11.7374 11.7829 11.7829 k = 0.0000 0.3750-0.0000 ( 5693 PWs) bands (ev): -20.0329 -20.0329 -19.9664 -19.9664 -16.0526 -16.0526 -16.0405 -16.0405 -8.1919 -8.1919 -8.0708 -8.0708 -6.5007 -6.5007 -6.4943 -6.4943 -4.6438 -4.6438 -4.5929 -4.5929 -4.4945 -4.4945 -4.4580 -4.4580 2.0669 2.0669 2.1966 2.1966 2.2744 2.2744 2.3342 2.3342 2.4621 2.4621 2.6643 2.6643 3.4576 3.4576 3.5459 3.5459 3.6276 3.6276 3.8601 3.8601 3.9139 3.9139 4.1546 4.1546 11.1212 11.1212 11.2238 11.2238 11.6331 11.6331 11.7445 11.7445 11.7871 11.7871 k = 0.0000 0.3889-0.0000 ( 5691 PWs) bands (ev): -20.0280 -20.0280 -19.9685 -19.9685 -16.0541 -16.0541 -16.0434 -16.0434 -8.1880 -8.1880 -8.0801 -8.0801 -6.4995 -6.4995 -6.4932 -6.4932 -4.6407 -4.6407 -4.5968 -4.5968 -4.4922 -4.4922 -4.4586 -4.4586 2.0762 2.0762 2.1960 2.1960 2.2833 2.2833 2.3457 2.3457 2.4511 2.4511 2.6456 2.6456 3.4567 3.4567 3.5437 3.5437 3.6289 3.6289 3.8424 3.8424 3.9237 3.9237 4.1414 4.1414 11.1085 11.1085 11.1992 11.1992 11.6626 11.6626 11.7465 11.7465 11.8331 11.8331 k = 0.0000 0.4028-0.0000 ( 5690 PWs) bands (ev): -20.0231 -20.0231 -19.9708 -19.9708 -16.0553 -16.0553 -16.0459 -16.0459 -8.1838 -8.1838 -8.0891 -8.0891 -6.4983 -6.4983 -6.4924 -6.4924 -4.6378 -4.6378 -4.6005 -4.6005 -4.4897 -4.4897 -4.4594 -4.4594 2.0859 2.0859 2.1944 2.1944 2.2920 2.2920 2.3572 2.3572 2.4412 2.4412 2.6260 2.6260 3.4573 3.4573 3.5404 3.5404 3.6320 3.6320 3.8232 3.8232 3.9362 3.9362 4.1283 4.1283 11.0971 11.0971 11.1763 11.1763 11.6681 11.6681 11.7385 11.7385 11.9105 11.9105 k = 0.0000 0.4167-0.0000 ( 5686 PWs) bands (ev): -20.0184 -20.0184 -19.9733 -19.9733 -16.0564 -16.0564 -16.0483 -16.0483 -8.1792 -8.1792 -8.0979 -8.0979 -6.4972 -6.4972 -6.4918 -6.4918 -4.6351 -4.6351 -4.6040 -4.6040 -4.4871 -4.4871 -4.4604 -4.4604 2.0959 2.0959 2.1917 2.1917 2.3008 2.3008 2.3678 2.3678 2.4331 2.4331 2.6056 2.6056 3.4595 3.4595 3.5361 3.5361 3.6370 3.6370 3.8039 3.8039 3.9497 3.9497 4.1151 4.1151 11.0873 11.0873 11.1553 11.1553 11.6674 11.6674 11.7280 11.7280 11.9938 11.9938 k = 0.0000 0.4306-0.0000 ( 5692 PWs) bands (ev): -20.0137 -20.0137 -19.9760 -19.9760 -16.0572 -16.0572 -16.0505 -16.0505 -8.1743 -8.1743 -8.1065 -8.1065 -6.4961 -6.4961 -6.4914 -6.4914 -4.6326 -4.6326 -4.6073 -4.6073 -4.4843 -4.4843 -4.4616 -4.4616 2.1060 2.1060 2.1879 2.1879 2.3095 2.3095 2.3758 2.3758 2.4286 2.4286 2.5849 2.5849 3.4630 3.4630 3.5307 3.5307 3.6437 3.6437 3.7849 3.7849 3.9638 3.9638 4.1019 4.1019 11.0795 11.0795 11.1364 11.1364 11.6657 11.6657 11.7169 11.7169 12.0738 12.0738 k = 0.0000 0.4444-0.0000 ( 5704 PWs) bands (ev): -20.0092 -20.0092 -19.9789 -19.9789 -16.0577 -16.0577 -16.0524 -16.0524 -8.1691 -8.1691 -8.1147 -8.1147 -6.4952 -6.4952 -6.4913 -6.4913 -4.6303 -4.6303 -4.6104 -4.6104 -4.4815 -4.4815 -4.4630 -4.4630 2.1161 2.1161 2.1831 2.1831 2.3182 2.3182 2.3786 2.3786 2.4303 2.4303 2.5640 2.5640 3.4678 3.4678 3.5244 3.5244 3.6522 3.6522 3.7664 3.7664 3.9780 3.9780 4.0887 4.0887 11.0740 11.0740 11.1197 11.1197 11.6646 11.6646 11.7062 11.7062 12.1454 12.1454 k = 0.0000 0.4583-0.0000 ( 5704 PWs) bands (ev): -20.0048 -20.0048 -19.9820 -19.9820 -16.0580 -16.0580 -16.0540 -16.0540 -8.1634 -8.1634 -8.1226 -8.1226 -6.4943 -6.4943 -6.4912 -6.4912 -4.6280 -4.6280 -4.6133 -4.6133 -4.4788 -4.4788 -4.4647 -4.4647 2.1262 2.1262 2.1774 2.1774 2.3270 2.3270 2.3757 2.3757 2.4389 2.4389 2.5434 2.5434 3.4735 3.4735 3.5175 3.5175 3.6622 3.6622 3.7486 3.7486 3.9923 3.9923 4.0754 4.0754 11.0708 11.0708 11.1052 11.1052 11.6647 11.6647 11.6962 11.6962 12.2032 12.2032 k = 0.0000 0.4722-0.0000 ( 5704 PWs) bands (ev): -20.0006 -20.0006 -19.9854 -19.9854 -16.0580 -16.0580 -16.0553 -16.0553 -8.1575 -8.1575 -8.1303 -8.1303 -6.4935 -6.4935 -6.4914 -6.4914 -4.6258 -4.6258 -4.6161 -4.6161 -4.4760 -4.4760 -4.4666 -4.4666 2.1361 2.1361 2.1706 2.1706 2.3357 2.3357 2.3694 2.3694 2.4521 2.4521 2.5232 2.5232 3.4801 3.4801 3.5101 3.5101 3.6737 3.6737 3.7316 3.7316 4.0066 4.0066 4.0619 4.0619 11.0702 11.0702 11.0932 11.0932 11.6662 11.6662 11.6874 11.6874 12.2469 12.2469 k = 0.0000 0.4861-0.0000 ( 5700 PWs) bands (ev): -19.9965 -19.9965 -19.9889 -19.9889 -16.0577 -16.0577 -16.0564 -16.0564 -8.1512 -8.1512 -8.1376 -8.1376 -6.4928 -6.4928 -6.4917 -6.4917 -4.6235 -4.6235 -4.6187 -4.6187 -4.4734 -4.4734 -4.4687 -4.4687 2.1456 2.1456 2.1630 2.1630 2.3445 2.3445 2.3615 2.3615 2.4678 2.4678 2.5038 2.5038 3.4872 3.4872 3.5025 3.5025 3.6865 3.6865 3.7156 3.7156 4.0207 4.0207 4.0483 4.0483 11.0721 11.0721 11.0836 11.0836 11.6692 11.6692 11.6799 11.6799 12.2826 12.2826 k = 0.0000 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1445 -8.1445 -8.1445 -8.1445 -6.4922 -6.4922 -6.4922 -6.4922 -4.6211 -4.6211 -4.6211 -4.6211 -4.4710 -4.4710 -4.4710 -4.4710 2.1546 2.1546 2.1546 2.1546 2.3531 2.3531 2.3531 2.3531 2.4852 2.4852 2.4852 2.4852 3.4948 3.4948 3.4948 3.4948 3.7005 3.7005 3.7005 3.7005 4.0346 4.0346 4.0346 4.0346 11.0765 11.0765 11.0765 11.0765 11.6738 11.6738 11.6738 11.6738 12.3151 12.3151 k = 0.0000 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1445 -8.1445 -8.1445 -8.1445 -6.4922 -6.4922 -6.4922 -6.4922 -4.6211 -4.6211 -4.6211 -4.6211 -4.4710 -4.4710 -4.4710 -4.4710 2.1546 2.1546 2.1546 2.1546 2.3531 2.3531 2.3531 2.3531 2.4852 2.4852 2.4852 2.4852 3.4948 3.4948 3.4948 3.4948 3.7005 3.7005 3.7005 3.7005 4.0346 4.0346 4.0346 4.0346 11.0765 11.0765 11.0765 11.0765 11.6738 11.6738 11.6738 11.6738 12.3151 12.3151 k = 0.0139 0.5000-0.0000 ( 5696 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0572 -16.0572 -8.1442 -8.1442 -8.1442 -8.1442 -6.4976 -6.4976 -6.4873 -6.4873 -4.6314 -4.6314 -4.6115 -4.6115 -4.4740 -4.4740 -4.4686 -4.4686 2.1535 2.1535 2.1570 2.1570 2.3428 2.3428 2.3599 2.3599 2.4792 2.4792 2.4956 2.4956 3.4884 3.4884 3.4951 3.4951 3.6975 3.6975 3.7093 3.7093 4.0335 4.0335 4.0358 4.0358 11.0755 11.0755 11.0779 11.0779 11.6731 11.6731 11.6745 11.6745 12.3168 12.3170 k = 0.0278 0.5000-0.0000 ( 5700 PWs) bands (ev): -19.9922 -19.9922 -19.9922 -19.9922 -16.0580 -16.0580 -16.0575 -16.0575 -8.1433 -8.1433 -8.1433 -8.1433 -6.5035 -6.5035 -6.4831 -6.4831 -4.6421 -4.6421 -4.6026 -4.6026 -4.4776 -4.4776 -4.4669 -4.4669 2.1535 2.1535 2.1606 2.1606 2.3305 2.3305 2.3617 2.3617 2.4790 2.4790 2.5089 2.5089 3.4771 3.4771 3.4891 3.4891 3.7004 3.7004 3.7227 3.7227 4.0324 4.0324 4.0371 4.0371 11.0748 11.0748 11.0796 11.0796 11.6726 11.6726 11.6753 11.6753 12.3223 12.3224 k = 0.0417 0.5000-0.0000 ( 5696 PWs) bands (ev): -19.9918 -19.9918 -19.9918 -19.9918 -16.0587 -16.0587 -16.0581 -16.0581 -8.1418 -8.1418 -8.1418 -8.1418 -6.5099 -6.5099 -6.4794 -6.4794 -4.6532 -4.6532 -4.5946 -4.5946 -4.4816 -4.4816 -4.4658 -4.4658 2.1546 2.1546 2.1653 2.1653 2.3172 2.3172 2.3584 2.3584 2.4848 2.4848 2.5241 2.5241 3.4622 3.4622 3.4777 3.4777 3.7085 3.7085 3.7395 3.7395 4.0314 4.0314 4.0384 4.0384 11.0746 11.0746 11.0816 11.0816 11.6721 11.6721 11.6764 11.6764 12.3316 12.3316 k = 0.0556 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.9912 -19.9912 -19.9912 -19.9912 -16.0597 -16.0597 -16.0589 -16.0589 -8.1397 -8.1397 -8.1397 -8.1397 -6.5167 -6.5167 -6.4765 -6.4765 -4.6646 -4.6646 -4.5877 -4.5877 -4.4861 -4.4861 -4.4655 -4.4655 2.1569 2.1569 2.1711 2.1711 2.3039 2.3039 2.3513 2.3513 2.4952 2.4952 2.5403 2.5403 3.4451 3.4451 3.4624 3.4624 3.7203 3.7203 3.7582 3.7582 4.0305 4.0305 4.0399 4.0399 11.0748 11.0748 11.0840 11.0840 11.6718 11.6718 11.6776 11.6776 12.3443 12.3443 k = 0.0694 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9904 -19.9904 -19.9904 -19.9904 -16.0610 -16.0610 -16.0600 -16.0600 -8.1370 -8.1370 -8.1370 -8.1370 -6.5238 -6.5238 -6.4742 -6.4742 -4.6762 -4.6762 -4.5819 -4.5819 -4.4907 -4.4907 -4.4660 -4.4660 2.1601 2.1601 2.1779 2.1779 2.2910 2.2910 2.3420 2.3420 2.5087 2.5087 2.5572 2.5572 3.4265 3.4265 3.4444 3.4444 3.7344 3.7344 3.7781 3.7781 4.0295 4.0295 4.0415 4.0415 11.0756 11.0756 11.0868 11.0868 11.6716 11.6716 11.6792 11.6792 12.3605 12.3605 k = 0.0833 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9894 -19.9894 -19.9894 -19.9894 -16.0625 -16.0625 -16.0613 -16.0613 -8.1338 -8.1338 -8.1338 -8.1338 -6.5313 -6.5313 -6.4727 -6.4727 -4.6880 -4.6880 -4.5775 -4.5775 -4.4954 -4.4954 -4.4672 -4.4672 2.1640 2.1640 2.1855 2.1855 2.2792 2.2792 2.3318 2.3318 2.5240 2.5240 2.5743 2.5743 3.4071 3.4071 3.4248 3.4248 3.7497 3.7497 3.7985 3.7985 4.0286 4.0286 4.0432 4.0432 11.0772 11.0772 11.0901 11.0901 11.6716 11.6716 11.6811 11.6811 12.3798 12.3798 k = 0.0972 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.9883 -19.9883 -19.9883 -19.9883 -16.0643 -16.0643 -16.0628 -16.0628 -8.1300 -8.1300 -8.1300 -8.1300 -6.5390 -6.5390 -6.4719 -6.4719 -4.6997 -4.6997 -4.5748 -4.5748 -4.4999 -4.4999 -4.4691 -4.4691 2.1684 2.1684 2.1936 2.1936 2.2688 2.2688 2.3219 2.3219 2.5403 2.5403 2.5915 2.5915 3.3874 3.3874 3.4044 3.4044 3.7654 3.7654 3.8188 3.8188 4.0277 4.0277 4.0450 4.0450 11.0796 11.0796 11.0941 11.0941 11.6718 11.6718 11.6834 11.6834 12.4020 12.4020 k = 0.1111 0.5000-0.0000 ( 5682 PWs) bands (ev): -19.9871 -19.9871 -19.9871 -19.9871 -16.0662 -16.0662 -16.0646 -16.0646 -8.1257 -8.1257 -8.1257 -8.1257 -6.5469 -6.5469 -6.4719 -6.4719 -4.7113 -4.7113 -4.5738 -4.5738 -4.5040 -4.5040 -4.4718 -4.4718 2.1725 2.1725 2.2019 2.2019 2.2607 2.2607 2.3130 2.3130 2.5570 2.5570 2.6085 2.6085 3.3677 3.3677 3.3836 3.3836 3.7811 3.7811 3.8387 3.8387 4.0269 4.0269 4.0469 4.0469 11.0830 11.0830 11.0988 11.0988 11.6722 11.6722 11.6861 11.6861 12.4267 12.4267 k = 0.1250 0.5000-0.0000 ( 5682 PWs) bands (ev): -19.9857 -19.9857 -19.9857 -19.9857 -16.0684 -16.0684 -16.0666 -16.0666 -8.1209 -8.1209 -8.1209 -8.1209 -6.5549 -6.5549 -6.4726 -6.4726 -4.7227 -4.7227 -4.5749 -4.5749 -4.5075 -4.5075 -4.4752 -4.4752 2.1756 2.1756 2.2096 2.2096 2.2559 2.2559 2.3061 2.3061 2.5738 2.5738 2.6253 2.6253 3.3483 3.3483 3.3629 3.3629 3.7962 3.7962 3.8577 3.8577 4.0261 4.0261 4.0489 4.0489 11.0875 11.0875 11.1043 11.1043 11.6729 11.6729 11.6891 11.6891 12.4537 12.4537 k = 0.1389 0.5000-0.0000 ( 5698 PWs) bands (ev): -19.9842 -19.9842 -19.9842 -19.9842 -16.0707 -16.0707 -16.0688 -16.0688 -8.1157 -8.1157 -8.1156 -8.1156 -6.5630 -6.5630 -6.4740 -6.4740 -4.7339 -4.7339 -4.5779 -4.5779 -4.5106 -4.5106 -4.4793 -4.4793 2.1767 2.1767 2.2156 2.2156 2.2551 2.2551 2.3024 2.3024 2.5903 2.5903 2.6416 2.6416 3.3294 3.3294 3.3426 3.3426 3.8104 3.8104 3.8756 3.8756 4.0256 4.0256 4.0512 4.0512 11.0932 11.0932 11.1109 11.1109 11.6738 11.6738 11.6924 11.6924 12.4827 12.4827 k = 0.1528 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9825 -19.9825 -19.9825 -19.9825 -16.0732 -16.0732 -16.0712 -16.0712 -8.1099 -8.1099 -8.1098 -8.1098 -6.5712 -6.5712 -6.4763 -6.4763 -4.7448 -4.7448 -4.5827 -4.5827 -4.5132 -4.5132 -4.4840 -4.4840 2.1754 2.1754 2.2189 2.2189 2.2590 2.2590 2.3032 2.3032 2.6065 2.6065 2.6573 2.6573 3.3111 3.3111 3.3229 3.3229 3.8235 3.8235 3.8920 3.8920 4.0255 4.0255 4.0536 4.0536 11.1002 11.1002 11.1185 11.1185 11.6750 11.6750 11.6960 11.6960 12.5133 12.5133 k = 0.1667 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.9808 -19.9808 -19.9808 -19.9808 -16.0759 -16.0759 -16.0737 -16.0737 -8.1038 -8.1038 -8.1037 -8.1037 -6.5793 -6.5793 -6.4792 -6.4792 -4.7552 -4.7552 -4.5890 -4.5890 -4.5156 -4.5156 -4.4894 -4.4894 2.1722 2.1722 2.2189 2.2189 2.2670 2.2670 2.3090 2.3090 2.6220 2.6220 2.6724 2.6724 3.2936 3.2936 3.3039 3.3039 3.8352 3.8352 3.9064 3.9064 4.0260 4.0260 4.0562 4.0562 11.1087 11.1087 11.1273 11.1273 11.6763 11.6763 11.6998 11.6998 12.5451 12.5451 k = 0.1806 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.9790 -19.9790 -19.9790 -19.9790 -16.0786 -16.0786 -16.0764 -16.0764 -8.0974 -8.0974 -8.0971 -8.0971 -6.5873 -6.5873 -6.4829 -6.4829 -4.7652 -4.7652 -4.5965 -4.5965 -4.5180 -4.5180 -4.4953 -4.4953 2.1677 2.1677 2.2161 2.2161 2.2784 2.2784 2.3192 2.3192 2.6368 2.6368 2.6866 2.6866 3.2771 3.2771 3.2858 3.2858 3.8454 3.8454 3.9183 3.9183 4.0276 4.0276 4.0590 4.0590 11.1186 11.1186 11.1373 11.1373 11.6777 11.6777 11.7037 11.7037 12.5779 12.5779 k = 0.1944 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9771 -19.9771 -19.9770 -19.9770 -16.0815 -16.0815 -16.0792 -16.0792 -8.0906 -8.0906 -8.0903 -8.0903 -6.5952 -6.5952 -6.4873 -6.4873 -4.7746 -4.7746 -4.6049 -4.6049 -4.5207 -4.5207 -4.5018 -4.5018 2.1628 2.1628 2.2117 2.2117 2.2923 2.2923 2.3327 2.3327 2.6508 2.6508 2.7000 2.7000 3.2615 3.2615 3.2687 3.2687 3.8539 3.8539 3.9273 3.9273 4.0304 4.0304 4.0621 4.0621 11.1300 11.1300 11.1487 11.1487 11.6792 11.6792 11.7075 11.7075 12.6104 12.6105 k = 0.2083 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9751 -19.9751 -19.9751 -19.9751 -16.0845 -16.0845 -16.0821 -16.0821 -8.0835 -8.0835 -8.0831 -8.0831 -6.6030 -6.6030 -6.4923 -6.4923 -4.7835 -4.7835 -4.6139 -4.6139 -4.5239 -4.5239 -4.5088 -4.5088 2.1579 2.1579 2.2064 2.2064 2.3081 2.3081 2.3487 2.3487 2.6639 2.6639 2.7125 2.7125 3.2471 3.2471 3.2527 3.2527 3.8607 3.8607 3.9330 3.9330 4.0349 4.0349 4.0655 4.0655 11.1430 11.1430 11.1615 11.1615 11.6808 11.6808 11.7112 11.7112 12.6429 12.6429 k = 0.2222 0.5000-0.0000 ( 5688 PWs) bands (ev): -19.9731 -19.9731 -19.9730 -19.9730 -16.0876 -16.0876 -16.0851 -16.0851 -8.0762 -8.0762 -8.0758 -8.0758 -6.6104 -6.6104 -6.4980 -6.4980 -4.7916 -4.7916 -4.6235 -4.6235 -4.5275 -4.5275 -4.5162 -4.5162 2.1533 2.1533 2.2009 2.2009 2.3256 2.3256 2.3663 2.3663 2.6760 2.6760 2.7239 2.7239 3.2338 3.2338 3.2380 3.2380 3.8657 3.8657 3.9355 3.9355 4.0408 4.0408 4.0691 4.0691 11.1576 11.1576 11.1756 11.1756 11.6823 11.6823 11.7147 11.7147 12.6753 12.6753 k = 0.2361 0.5000-0.0000 ( 5680 PWs) bands (ev): -19.9710 -19.9710 -19.9710 -19.9710 -16.0906 -16.0906 -16.0882 -16.0882 -8.0686 -8.0686 -8.0682 -8.0682 -6.6176 -6.6176 -6.5042 -6.5042 -4.7991 -4.7991 -4.6334 -4.6334 -4.5318 -4.5318 -4.5239 -4.5239 2.1491 2.1491 2.1954 2.1954 2.3444 2.3444 2.3853 2.3853 2.6870 2.6870 2.7342 2.7342 3.2218 3.2218 3.2246 3.2246 3.8689 3.8689 3.9352 3.9352 4.0478 4.0478 4.0728 4.0728 11.1738 11.1738 11.1911 11.1911 11.6838 11.6838 11.7179 11.7179 12.7073 12.7073 k = 0.2500 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9689 -19.9689 -19.9689 -19.9689 -16.0938 -16.0938 -16.0913 -16.0913 -8.0610 -8.0610 -8.0605 -8.0605 -6.6245 -6.6245 -6.5110 -6.5110 -4.8059 -4.8059 -4.6434 -4.6434 -4.5366 -4.5366 -4.5319 -4.5319 2.1455 2.1455 2.1903 2.1903 2.3643 2.3643 2.4052 2.4052 2.6969 2.6969 2.7434 2.7434 3.2110 3.2110 3.2125 3.2125 3.8704 3.8704 3.9325 3.9325 4.0553 4.0553 4.0767 4.0767 11.1914 11.1914 11.2080 11.2080 11.6852 11.6852 11.7207 11.7207 12.7390 12.7390 k = 0.2639 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9668 -19.9668 -19.9668 -19.9668 -16.0969 -16.0969 -16.0944 -16.0944 -8.0533 -8.0533 -8.0527 -8.0527 -6.6310 -6.6310 -6.5183 -6.5183 -4.8119 -4.8119 -4.6536 -4.6536 -4.5419 -4.5419 -4.5402 -4.5402 2.1424 2.1424 2.1855 2.1855 2.3851 2.3851 2.4259 2.4259 2.7057 2.7057 2.7514 2.7514 3.2016 3.2016 3.2018 3.2018 3.8702 3.8702 3.9278 3.9278 4.0631 4.0631 4.0805 4.0805 11.2104 11.2104 11.2261 11.2261 11.6865 11.6865 11.7231 11.7231 12.7703 12.7703 k = 0.2778 0.5000-0.0000 ( 5684 PWs) bands (ev): -19.9647 -19.9647 -19.9647 -19.9647 -16.0999 -16.0999 -16.0975 -16.0975 -8.0456 -8.0456 -8.0449 -8.0449 -6.6370 -6.6370 -6.5260 -6.5260 -4.8170 -4.8170 -4.6637 -4.6637 -4.5486 -4.5486 -4.5478 -4.5478 2.1399 2.1399 2.1811 2.1811 2.4066 2.4066 2.4471 2.4471 2.7134 2.7134 2.7583 2.7583 3.1924 3.1924 3.1933 3.1933 3.8686 3.8686 3.9216 3.9216 4.0705 4.0705 4.0844 4.0844 11.2307 11.2307 11.2454 11.2454 11.6875 11.6875 11.7249 11.7249 12.8011 12.8011 k = 0.2917 0.5000-0.0000 ( 5686 PWs) bands (ev): -19.9627 -19.9627 -19.9627 -19.9627 -16.1029 -16.1029 -16.1006 -16.1006 -8.0379 -8.0379 -8.0372 -8.0372 -6.6426 -6.6426 -6.5340 -6.5340 -4.8214 -4.8214 -4.6738 -4.6738 -4.5571 -4.5571 -4.5541 -4.5541 2.1380 2.1380 2.1771 2.1771 2.4286 2.4286 2.4687 2.4687 2.7200 2.7200 2.7639 2.7639 3.1845 3.1845 3.1864 3.1864 3.8657 3.8657 3.9142 3.9142 4.0775 4.0775 4.0881 4.0881 11.2522 11.2522 11.2658 11.2658 11.6884 11.6884 11.7262 11.7262 12.8316 12.8316 k = 0.3056 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9607 -19.9607 -19.9607 -19.9607 -16.1059 -16.1059 -16.1036 -16.1036 -8.0303 -8.0303 -8.0295 -8.0295 -6.6477 -6.6477 -6.5424 -6.5424 -4.8249 -4.8249 -4.6838 -4.6838 -4.5656 -4.5656 -4.5609 -4.5609 2.1366 2.1366 2.1735 2.1735 2.4509 2.4509 2.4904 2.4904 2.7255 2.7255 2.7684 2.7684 3.1778 3.1778 3.1806 3.1806 3.8616 3.8616 3.9059 3.9059 4.0839 4.0839 4.0915 4.0915 11.2747 11.2747 11.2870 11.2870 11.6889 11.6889 11.7269 11.7269 12.8617 12.8617 k = 0.3194 0.5000-0.0000 ( 5690 PWs) bands (ev): -19.9588 -19.9588 -19.9587 -19.9587 -16.1087 -16.1087 -16.1065 -16.1065 -8.0228 -8.0228 -8.0221 -8.0221 -6.6523 -6.6523 -6.5510 -6.5510 -4.8276 -4.8276 -4.6936 -4.6936 -4.5739 -4.5739 -4.5679 -4.5679 2.1356 2.1356 2.1703 2.1703 2.4734 2.4734 2.5121 2.5121 2.7299 2.7299 2.7718 2.7718 3.1725 3.1725 3.1759 3.1759 3.8565 3.8565 3.8968 3.8968 4.0896 4.0896 4.0947 4.0947 11.2981 11.2981 11.3090 11.3090 11.6892 11.6892 11.7269 11.7269 12.8914 12.8914 k = 0.3333 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9569 -19.9569 -19.9569 -19.9569 -16.1115 -16.1115 -16.1093 -16.1093 -8.0156 -8.0156 -8.0148 -8.0148 -6.6563 -6.6563 -6.5597 -6.5597 -4.8295 -4.8295 -4.7031 -4.7031 -4.5821 -4.5821 -4.5751 -4.5751 2.1351 2.1351 2.1675 2.1675 2.4958 2.4958 2.5336 2.5336 2.7333 2.7333 2.7740 2.7740 3.1683 3.1683 3.1723 3.1723 3.8507 3.8507 3.8872 3.8872 4.0945 4.0945 4.0976 4.0976 11.3220 11.3220 11.3315 11.3315 11.6890 11.6890 11.7262 11.7262 12.9206 12.9206 k = 0.3472 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9551 -19.9551 -19.9551 -19.9551 -16.1140 -16.1140 -16.1120 -16.1120 -8.0087 -8.0087 -8.0079 -8.0079 -6.6596 -6.6596 -6.5686 -6.5686 -4.8305 -4.8305 -4.7124 -4.7124 -4.5900 -4.5900 -4.5825 -4.5825 2.1350 2.1350 2.1650 2.1650 2.5180 2.5180 2.5547 2.5547 2.7358 2.7358 2.7753 2.7753 3.1652 3.1652 3.1696 3.1696 3.8443 3.8443 3.8772 3.8772 4.0987 4.0987 4.1002 4.1002 11.3464 11.3464 11.3544 11.3544 11.6885 11.6885 11.7247 11.7247 12.9493 12.9493 k = 0.3611 0.5000-0.0000 ( 5688 PWs) bands (ev): -19.9534 -19.9534 -19.9534 -19.9534 -16.1165 -16.1165 -16.1146 -16.1146 -8.0021 -8.0021 -8.0013 -8.0013 -6.6623 -6.6623 -6.5774 -6.5774 -4.8307 -4.8307 -4.7215 -4.7215 -4.5976 -4.5976 -4.5898 -4.5898 2.1353 2.1353 2.1627 2.1627 2.5397 2.5397 2.5753 2.5753 2.7373 2.7373 2.7756 2.7756 3.1631 3.1631 3.1677 3.1677 3.8375 3.8375 3.8670 3.8670 4.1022 4.1022 4.1024 4.1024 11.3709 11.3709 11.3773 11.3773 11.6875 11.6875 11.7225 11.7225 12.9773 12.9773 k = 0.3750 0.5000-0.0000 ( 5700 PWs) bands (ev): -19.9519 -19.9519 -19.9519 -19.9519 -16.1187 -16.1187 -16.1170 -16.1170 -7.9959 -7.9959 -7.9951 -7.9951 -6.6644 -6.6644 -6.5861 -6.5861 -4.8301 -4.8301 -4.7302 -4.7302 -4.6048 -4.6048 -4.5970 -4.5970 2.1358 2.1358 2.1607 2.1607 2.5607 2.5607 2.5952 2.5952 2.7381 2.7381 2.7750 2.7750 3.1619 3.1619 3.1665 3.1665 3.8306 3.8306 3.8568 3.8568 4.1044 4.1044 4.1051 4.1051 11.3953 11.3953 11.4001 11.4001 11.6860 11.6860 11.7195 11.7195 13.0045 13.0045 k = 0.3889 0.5000-0.0000 ( 5696 PWs) bands (ev): -19.9504 -19.9504 -19.9504 -19.9504 -16.1208 -16.1208 -16.1192 -16.1192 -7.9902 -7.9902 -7.9894 -7.9894 -6.6657 -6.6657 -6.5948 -6.5948 -4.8288 -4.8288 -4.7386 -4.7386 -4.6114 -4.6114 -4.6039 -4.6039 2.1366 2.1366 2.1589 2.1589 2.5809 2.5809 2.6142 2.6142 2.7380 2.7380 2.7736 2.7736 3.1613 3.1613 3.1658 3.1658 3.8238 3.8238 3.8469 3.8469 4.1060 4.1060 4.1074 4.1074 11.4192 11.4192 11.4225 11.4225 11.6839 11.6839 11.7156 11.7156 13.0307 13.0307 k = 0.4028 0.5000-0.0000 ( 5708 PWs) bands (ev): -19.9492 -19.9492 -19.9491 -19.9491 -16.1226 -16.1226 -16.1212 -16.1212 -7.9849 -7.9849 -7.9842 -7.9842 -6.6664 -6.6664 -6.6032 -6.6032 -4.8267 -4.8267 -4.7468 -4.7468 -4.6174 -4.6174 -4.6105 -4.6105 2.1376 2.1376 2.1572 2.1572 2.6000 2.6000 2.6321 2.6321 2.7373 2.7373 2.7714 2.7714 3.1613 3.1613 3.1656 3.1656 3.8172 3.8172 3.8373 3.8373 4.1074 4.1074 4.1091 4.1091 11.4425 11.4425 11.4441 11.4441 11.6813 11.6813 11.7108 11.7108 13.0557 13.0557 k = 0.4167 0.5000-0.0000 ( 5708 PWs) bands (ev): -19.9480 -19.9480 -19.9480 -19.9480 -16.1242 -16.1242 -16.1230 -16.1230 -7.9803 -7.9803 -7.9796 -7.9796 -6.6663 -6.6663 -6.6113 -6.6113 -4.8240 -4.8240 -4.7546 -4.7546 -4.6227 -4.6227 -4.6165 -4.6165 2.1387 2.1387 2.1557 2.1557 2.6179 2.6179 2.6487 2.6487 2.7359 2.7359 2.7685 2.7685 3.1617 3.1617 3.1657 3.1657 3.8112 3.8112 3.8282 3.8282 4.1085 4.1085 4.1104 4.1104 11.4645 11.4645 11.4647 11.4647 11.6782 11.6782 11.7052 11.7052 13.0792 13.0792 k = 0.4306 0.5000-0.0000 ( 5716 PWs) bands (ev): -19.9470 -19.9470 -19.9470 -19.9470 -16.1256 -16.1256 -16.1245 -16.1245 -7.9763 -7.9763 -7.9757 -7.9757 -6.6655 -6.6655 -6.6190 -6.6190 -4.8206 -4.8206 -4.7622 -4.7622 -4.6273 -4.6273 -4.6220 -4.6220 2.1400 2.1400 2.1542 2.1542 2.6344 2.6344 2.6638 2.6638 2.7339 2.7339 2.7648 2.7648 3.1624 3.1624 3.1659 3.1659 3.8058 3.8058 3.8200 3.8200 4.1094 4.1094 4.1112 4.1112 11.4839 11.4839 11.4851 11.4851 11.6747 11.6747 11.6989 11.6989 13.1010 13.1010 k = 0.4444 0.5000-0.0000 ( 5728 PWs) bands (ev): -19.9462 -19.9462 -19.9462 -19.9462 -16.1267 -16.1267 -16.1258 -16.1258 -7.9729 -7.9729 -7.9724 -7.9724 -6.6639 -6.6639 -6.6264 -6.6264 -4.8166 -4.8166 -4.7695 -4.7695 -4.6310 -4.6310 -4.6267 -4.6267 2.1414 2.1414 2.1527 2.1527 2.6495 2.6495 2.6770 2.6770 2.7316 2.7316 2.7605 2.7605 3.1633 3.1633 3.1662 3.1662 3.8014 3.8014 3.8127 3.8127 4.1101 4.1101 4.1118 4.1118 11.5013 11.5013 11.5035 11.5035 11.6712 11.6712 11.6920 11.6920 13.1207 13.1207 k = 0.4583 0.5000-0.0000 ( 5736 PWs) bands (ev): -19.9456 -19.9456 -19.9456 -19.9456 -16.1275 -16.1275 -16.1269 -16.1269 -7.9702 -7.9702 -7.9699 -7.9699 -6.6616 -6.6616 -6.6332 -6.6332 -4.8121 -4.8121 -4.7765 -4.7765 -4.6339 -4.6339 -4.6306 -4.6306 2.1428 2.1428 2.1513 2.1513 2.6629 2.6629 2.6877 2.6877 2.7297 2.7297 2.7555 2.7555 3.1642 3.1642 3.1665 3.1665 3.7980 3.7980 3.8065 3.8065 4.1108 4.1108 4.1121 4.1121 11.5164 11.5164 11.5191 11.5191 11.6680 11.6680 11.6848 11.6848 13.1381 13.1381 k = 0.4722 0.5000-0.0000 ( 5736 PWs) bands (ev): -19.9451 -19.9451 -19.9451 -19.9451 -16.1281 -16.1281 -16.1277 -16.1277 -7.9683 -7.9683 -7.9680 -7.9680 -6.6586 -6.6586 -6.6396 -6.6396 -4.8071 -4.8071 -4.7832 -4.7832 -4.6358 -4.6358 -4.6336 -4.6336 2.1442 2.1442 2.1499 2.1499 2.6746 2.6746 2.6944 2.6944 2.7293 2.7293 2.7498 2.7498 3.1650 3.1650 3.1666 3.1666 3.7959 3.7959 3.8015 3.8015 4.1113 4.1113 4.1122 4.1122 11.5284 11.5284 11.5310 11.5310 11.6658 11.6658 11.6778 11.6778 13.1527 13.1527 k = 0.4861 0.5000-0.0000 ( 5752 PWs) bands (ev): -19.9448 -19.9448 -19.9448 -19.9448 -16.1284 -16.1284 -16.1282 -16.1282 -7.9671 -7.9671 -7.9670 -7.9670 -6.6548 -6.6548 -6.6453 -6.6453 -4.8017 -4.8017 -4.7897 -4.7897 -4.6368 -4.6368 -4.6356 -4.6356 2.1456 2.1456 2.1485 2.1485 2.6843 2.6843 2.6956 2.6956 2.7320 2.7320 2.7436 2.7436 3.1657 3.1657 3.1665 3.1665 3.7952 3.7952 3.7980 3.7980 4.1117 4.1117 4.1121 4.1121 11.5366 11.5366 11.5382 11.5382 11.6654 11.6654 11.6717 11.6717 13.1641 13.1641 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -19.9448 -19.9448 -19.9448 -19.9448 -16.1284 -16.1284 -16.1284 -16.1284 -7.9666 -7.9666 -7.9666 -7.9666 -6.6504 -6.6504 -6.6504 -6.6504 -4.7959 -4.7959 -4.7959 -4.7959 -4.6367 -4.6367 -4.6367 -4.6367 2.1471 2.1471 2.1471 2.1471 2.6917 2.6917 2.6917 2.6917 2.7374 2.7374 2.7374 2.7374 3.1662 3.1662 3.1662 3.1662 3.7959 3.7959 3.7959 3.7959 4.1119 4.1119 4.1119 4.1119 11.5401 11.5401 11.5401 11.5401 11.6674 11.6674 11.6674 11.6674 13.1717 13.1717 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -19.9448 -19.9448 -19.9448 -19.9448 -16.1284 -16.1284 -16.1284 -16.1284 -7.9666 -7.9666 -7.9666 -7.9666 -6.6504 -6.6504 -6.6504 -6.6504 -4.7959 -4.7959 -4.7959 -4.7959 -4.6367 -4.6367 -4.6367 -4.6367 2.1471 2.1471 2.1471 2.1471 2.6917 2.6917 2.6917 2.6917 2.7374 2.7374 2.7374 2.7374 3.1662 3.1662 3.1662 3.1662 3.7959 3.7959 3.7959 3.7959 4.1119 4.1119 4.1119 4.1119 11.5401 11.5401 11.5401 11.5401 11.6674 11.6674 11.6674 11.6674 13.1717 13.1717 k = 0.4902 0.4902-0.0000 ( 5752 PWs) bands (ev): -19.9449 -19.9449 -19.9448 -19.9448 -16.1284 -16.1284 -16.1282 -16.1282 -7.9672 -7.9672 -7.9668 -7.9668 -6.6548 -6.6548 -6.6453 -6.6453 -4.8017 -4.8017 -4.7897 -4.7897 -4.6369 -4.6369 -4.6355 -4.6355 2.1456 2.1456 2.1486 2.1486 2.6842 2.6842 2.6958 2.6958 2.7316 2.7316 2.7439 2.7439 3.1652 3.1652 3.1671 3.1671 3.7951 3.7951 3.7980 3.7980 4.1115 4.1115 4.1123 4.1123 11.5343 11.5343 11.5406 11.5406 11.6654 11.6654 11.6716 11.6716 13.1636 13.1636 k = 0.4804 0.4804-0.0000 ( 5738 PWs) bands (ev): -19.9455 -19.9455 -19.9448 -19.9448 -16.1281 -16.1281 -16.1277 -16.1277 -7.9688 -7.9688 -7.9675 -7.9675 -6.6586 -6.6586 -6.6396 -6.6396 -4.8070 -4.8070 -4.7833 -4.7833 -4.6367 -4.6367 -4.6327 -4.6327 2.1436 2.1436 2.1505 2.1505 2.6741 2.6741 2.6967 2.6967 2.7257 2.7257 2.7516 2.7516 3.1623 3.1623 3.1694 3.1694 3.7955 3.7955 3.8019 3.8019 4.1104 4.1104 4.1131 4.1131 11.5185 11.5185 11.5417 11.5417 11.6657 11.6657 11.6772 11.6772 13.1493 13.1493 k = 0.4706 0.4706-0.0000 ( 5732 PWs) bands (ev): -19.9463 -19.9463 -19.9448 -19.9448 -16.1275 -16.1275 -16.1269 -16.1269 -7.9714 -7.9714 -7.9686 -7.9686 -6.6615 -6.6615 -6.6334 -6.6334 -4.8120 -4.8120 -4.7766 -4.7766 -4.6363 -4.6363 -4.6282 -4.6282 2.1410 2.1410 2.1531 2.1531 2.6620 2.6620 2.6949 2.6949 2.7189 2.7189 2.7600 2.7600 3.1576 3.1576 3.1731 3.1731 3.7968 3.7968 3.8076 3.8076 4.1086 4.1086 4.1143 4.1143 11.4951 11.4951 11.5434 11.5434 11.6675 11.6675 11.6829 11.6829 13.1291 13.1291 k = 0.4608 0.4608-0.0000 ( 5728 PWs) bands (ev): -19.9476 -19.9476 -19.9449 -19.9449 -16.1267 -16.1267 -16.1258 -16.1258 -7.9751 -7.9751 -7.9701 -7.9701 -6.6637 -6.6637 -6.6267 -6.6267 -4.8163 -4.8163 -4.7697 -4.7697 -4.6358 -4.6358 -4.6222 -4.6222 2.1376 2.1376 2.1566 2.1566 2.6486 2.6486 2.6907 2.6907 2.7107 2.7107 2.7687 2.7687 3.1515 3.1515 3.1781 3.1781 3.7988 3.7988 3.8149 3.8149 4.1062 4.1062 4.1161 4.1161 11.4665 11.4665 11.5458 11.5458 11.6697 11.6697 11.6884 11.6884 13.1041 13.1041 k = 0.4510 0.4510-0.0000 ( 5724 PWs) bands (ev): -19.9491 -19.9491 -19.9449 -19.9449 -16.1256 -16.1256 -16.1244 -16.1244 -7.9797 -7.9797 -7.9720 -7.9720 -6.6651 -6.6651 -6.6196 -6.6196 -4.8201 -4.8201 -4.7625 -4.7625 -4.6351 -4.6351 -4.6146 -4.6146 2.1334 2.1334 2.1610 2.1610 2.6342 2.6342 2.6847 2.6847 2.7009 2.7009 2.7773 2.7773 3.1443 3.1443 3.1844 3.1844 3.8016 3.8016 3.8235 3.8235 4.1030 4.1030 4.1183 4.1183 11.4346 11.4346 11.5486 11.5486 11.6708 11.6708 11.6944 11.6944 13.0753 13.0753 k = 0.4412 0.4412-0.0000 ( 5712 PWs) bands (ev): -19.9511 -19.9511 -19.9450 -19.9450 -16.1243 -16.1243 -16.1228 -16.1228 -7.9853 -7.9853 -7.9742 -7.9742 -6.6656 -6.6656 -6.6123 -6.6123 -4.8231 -4.8231 -4.7551 -4.7551 -4.6342 -4.6342 -4.6059 -4.6059 2.1286 2.1286 2.1663 2.1663 2.6189 2.6189 2.6768 2.6768 2.6896 2.6896 2.7856 2.7856 3.1363 3.1363 3.1916 3.1916 3.8050 3.8050 3.8330 3.8330 4.0992 4.0992 4.1211 4.1211 11.4008 11.4008 11.5517 11.5517 11.6692 11.6692 11.7022 11.7022 13.0438 13.0438 k = 0.4314 0.4314-0.0000 ( 5704 PWs) bands (ev): -19.9533 -19.9533 -19.9451 -19.9451 -16.1227 -16.1227 -16.1209 -16.1209 -7.9917 -7.9917 -7.9767 -7.9767 -6.6654 -6.6654 -6.6047 -6.6047 -4.8254 -4.8254 -4.7474 -4.7474 -4.6332 -4.6332 -4.5960 -4.5960 2.1232 2.1232 2.1726 2.1726 2.6030 2.6030 2.6672 2.6672 2.6770 2.6770 2.7934 2.7934 3.1279 3.1279 3.1998 3.1998 3.8092 3.8092 3.8432 3.8432 4.0948 4.0948 4.1242 4.1242 11.3663 11.3663 11.5549 11.5549 11.6647 11.6647 11.7122 11.7122 13.0100 13.0100 k = 0.4216 0.4216-0.0000 ( 5716 PWs) bands (ev): -19.9558 -19.9558 -19.9452 -19.9452 -16.1209 -16.1209 -16.1187 -16.1187 -7.9989 -7.9989 -7.9794 -7.9794 -6.6644 -6.6644 -6.5970 -6.5970 -4.8269 -4.8269 -4.7394 -4.7394 -4.6320 -4.6320 -4.5854 -4.5854 2.1174 2.1174 2.1797 2.1797 2.5866 2.5866 2.6558 2.6558 2.6632 2.6632 2.8007 2.8007 3.1195 3.1195 3.2088 3.2088 3.8139 3.8139 3.8535 3.8535 4.0899 4.0899 4.1278 4.1278 11.3324 11.3324 11.5580 11.5580 11.6576 11.6576 11.7244 11.7244 12.9745 12.9745 k = 0.4118 0.4118-0.0000 ( 5712 PWs) bands (ev): -19.9587 -19.9587 -19.9454 -19.9454 -16.1189 -16.1189 -16.1163 -16.1163 -8.0068 -8.0068 -7.9822 -7.9822 -6.6626 -6.6626 -6.5893 -6.5893 -4.8276 -4.8276 -4.7312 -4.7312 -4.6306 -4.6306 -4.5740 -4.5740 2.1112 2.1112 2.1878 2.1878 2.5698 2.5698 2.6425 2.6425 2.6487 2.6487 2.8074 2.8074 3.1115 3.1115 3.2184 3.2184 3.8193 3.8193 3.8636 3.8636 4.0845 4.0845 4.1318 4.1318 11.3000 11.3000 11.5606 11.5606 11.6485 11.6485 11.7386 11.7386 12.9375 12.9375 k = 0.4020 0.4020-0.0000 ( 5700 PWs) bands (ev): -19.9619 -19.9619 -19.9455 -19.9455 -16.1167 -16.1167 -16.1136 -16.1136 -8.0153 -8.0153 -7.9852 -7.9852 -6.6602 -6.6602 -6.5816 -6.5816 -4.8275 -4.8275 -4.7228 -4.7228 -4.6292 -4.6292 -4.5623 -4.5623 2.1048 2.1048 2.1969 2.1969 2.5525 2.5525 2.6272 2.6272 2.6337 2.6337 2.8134 2.8134 3.1042 3.1042 3.2285 3.2285 3.8252 3.8252 3.8733 3.8733 4.0787 4.0787 4.1362 4.1362 11.2698 11.2698 11.5624 11.5624 11.6381 11.6381 11.7546 11.7546 12.8990 12.8990 k = 0.3922 0.3922-0.0000 ( 5696 PWs) bands (ev): -19.9653 -19.9653 -19.9457 -19.9457 -16.1142 -16.1142 -16.1107 -16.1107 -8.0243 -8.0243 -7.9882 -7.9882 -6.6570 -6.6570 -6.5740 -6.5740 -4.8266 -4.8266 -4.7141 -4.7141 -4.6275 -4.6275 -4.5502 -4.5502 2.0983 2.0983 2.2068 2.2068 2.5350 2.5350 2.6101 2.6101 2.6181 2.6181 2.8188 2.8188 3.0979 3.0979 3.2390 3.2390 3.8316 3.8316 3.8820 3.8820 4.0726 4.0726 4.1410 4.1410 11.2427 11.2427 11.5629 11.5629 11.6269 11.6269 11.7724 11.7724 12.8593 12.8593 k = 0.3824 0.3824-0.0000 ( 5700 PWs) bands (ev): -19.9690 -19.9690 -19.9459 -19.9459 -16.1116 -16.1116 -16.1075 -16.1075 -8.0337 -8.0337 -7.9912 -7.9912 -6.6532 -6.6532 -6.5666 -6.5666 -4.8248 -4.8248 -4.7052 -4.7052 -4.6257 -4.6257 -4.5381 -4.5381 2.0919 2.0919 2.2176 2.2176 2.5173 2.5173 2.5916 2.5916 2.6019 2.6019 2.8235 2.8235 3.0929 3.0929 3.2499 3.2499 3.8382 3.8382 3.8897 3.8897 4.0664 4.0664 4.1462 4.1462 11.2192 11.2192 11.5613 11.5613 11.6159 11.6159 11.7919 11.7919 12.8182 12.8182 k = 0.3725 0.3725-0.0000 ( 5702 PWs) bands (ev): -19.9730 -19.9730 -19.9460 -19.9460 -16.1088 -16.1088 -16.1042 -16.1042 -8.0435 -8.0435 -7.9941 -7.9941 -6.6489 -6.6489 -6.5595 -6.5595 -4.8223 -4.8223 -4.6961 -4.6961 -4.6237 -4.6237 -4.5260 -4.5260 2.0857 2.0857 2.2292 2.2292 2.4993 2.4993 2.5721 2.5721 2.5850 2.5850 2.8276 2.8276 3.0895 3.0895 3.2611 3.2611 3.8449 3.8449 3.8962 3.8962 4.0601 4.0601 4.1516 4.1516 11.1998 11.1998 11.5570 11.5570 11.6059 11.6059 11.8132 11.8132 12.7759 12.7759 k = 0.3627 0.3627-0.0000 ( 5700 PWs) bands (ev): -19.9772 -19.9772 -19.9462 -19.9462 -16.1058 -16.1058 -16.1006 -16.1006 -8.0535 -8.0535 -7.9968 -7.9968 -6.6440 -6.6440 -6.5526 -6.5526 -4.8190 -4.8190 -4.6870 -4.6870 -4.6216 -4.6216 -4.5142 -4.5142 2.0798 2.0798 2.2416 2.2416 2.4813 2.4813 2.5515 2.5515 2.5676 2.5676 2.8310 2.8310 3.0878 3.0878 3.2725 3.2725 3.8514 3.8514 3.9012 3.9012 4.0542 4.0542 4.1574 4.1574 11.1851 11.1851 11.5494 11.5494 11.5976 11.5976 11.8361 11.8361 12.7325 12.7325 k = 0.3529 0.3529-0.0000 ( 5691 PWs) bands (ev): -19.9816 -19.9816 -19.9465 -19.9465 -16.1027 -16.1027 -16.0968 -16.0968 -8.0637 -8.0637 -7.9992 -7.9992 -6.6387 -6.6387 -6.5461 -6.5461 -4.8150 -4.8150 -4.6780 -4.6780 -4.6191 -4.6191 -4.5028 -4.5028 2.0743 2.0743 2.2546 2.2546 2.4631 2.4631 2.5301 2.5301 2.5497 2.5497 2.8337 2.8337 3.0881 3.0881 3.2841 3.2841 3.8573 3.8573 3.9048 3.9048 4.0488 4.0488 4.1634 4.1634 11.1751 11.1751 11.5390 11.5390 11.5906 11.5906 11.8607 11.8607 12.6880 12.6880 k = 0.3431 0.3431-0.0000 ( 5687 PWs) bands (ev): -19.9862 -19.9862 -19.9467 -19.9467 -16.0995 -16.0995 -16.0928 -16.0928 -8.0740 -8.0740 -8.0014 -8.0014 -6.6331 -6.6331 -6.5400 -6.5400 -4.8103 -4.8103 -4.6690 -4.6690 -4.6164 -4.6164 -4.4919 -4.4919 2.0693 2.0693 2.2682 2.2682 2.4450 2.4450 2.5081 2.5081 2.5316 2.5316 2.8358 2.8358 3.0905 3.0905 3.2959 3.2959 3.8621 3.8621 3.9068 3.9068 4.0443 4.0443 4.1697 4.1697 11.1702 11.1702 11.5267 11.5267 11.5842 11.5842 11.8868 11.8868 12.6425 12.6425 k = 0.3333 0.3333-0.0000 ( 5695 PWs) bands (ev): -19.9910 -19.9910 -19.9469 -19.9469 -16.0961 -16.0961 -16.0886 -16.0886 -8.0842 -8.0842 -8.0033 -8.0033 -6.6271 -6.6271 -6.5344 -6.5344 -4.8050 -4.8050 -4.6604 -4.6604 -4.6134 -4.6134 -4.4816 -4.4816 2.0649 2.0649 2.2822 2.2822 2.4269 2.4269 2.4856 2.4856 2.5134 2.5134 2.8372 2.8372 3.0953 3.0953 3.3078 3.3078 3.8652 3.8652 3.9073 3.9073 4.0414 4.0414 4.1763 4.1763 11.1705 11.1705 11.5135 11.5135 11.5775 11.5775 11.9143 11.9143 12.5955 12.5955 k = 0.3235 0.3235-0.0000 ( 5699 PWs) bands (ev): -19.9960 -19.9960 -19.9472 -19.9472 -16.0926 -16.0926 -16.0843 -16.0843 -8.0943 -8.0943 -8.0047 -8.0047 -6.6209 -6.6209 -6.5292 -6.5292 -4.7992 -4.7992 -4.6522 -4.6522 -4.6098 -4.6098 -4.4720 -4.4720 2.0613 2.0613 2.2962 2.2962 2.4090 2.4090 2.4630 2.4630 2.4951 2.4951 2.8379 2.8379 3.1024 3.1024 3.3198 3.3198 3.8663 3.8663 3.9061 3.9061 4.0404 4.0404 4.1830 4.1830 11.1758 11.1758 11.5000 11.5000 11.5699 11.5699 11.9430 11.9430 12.5427 12.5427 k = 0.3137 0.3137-0.0000 ( 5691 PWs) bands (ev): -20.0011 -20.0011 -19.9474 -19.9474 -16.0890 -16.0890 -16.0799 -16.0799 -8.1043 -8.1043 -8.0057 -8.0057 -6.6146 -6.6146 -6.5245 -6.5245 -4.7929 -4.7929 -4.6446 -4.6446 -4.6056 -4.6056 -4.4631 -4.4631 2.0583 2.0583 2.3095 2.3095 2.3916 2.3916 2.4409 2.4409 2.4770 2.4770 2.8380 2.8380 3.1121 3.1121 3.3320 3.3320 3.8651 3.8651 3.9032 3.9032 4.0418 4.0418 4.1900 4.1900 11.1862 11.1862 11.4867 11.4867 11.5614 11.5614 11.9726 11.9726 12.4563 12.4563 k = 0.3039 0.3039-0.0000 ( 5695 PWs) bands (ev): -20.0064 -20.0064 -19.9477 -19.9477 -16.0853 -16.0853 -16.0753 -16.0753 -8.1141 -8.1141 -8.0063 -8.0063 -6.6081 -6.6081 -6.5204 -6.5204 -4.7863 -4.7863 -4.6379 -4.6379 -4.6007 -4.6007 -4.4552 -4.4552 2.0561 2.0561 2.3203 2.3203 2.3753 2.3753 2.4204 2.4204 2.4591 2.4591 2.8375 2.8375 3.1243 3.1243 3.3442 3.3442 3.8614 3.8614 3.8984 3.8984 4.0457 4.0457 4.1972 4.1972 11.2011 11.2011 11.4739 11.4739 11.5517 11.5517 12.0016 12.0016 12.3373 12.3373 k = 0.2941 0.2941-0.0000 ( 5701 PWs) bands (ev): -20.0117 -20.0117 -19.9480 -19.9480 -16.0816 -16.0816 -16.0706 -16.0706 -8.1235 -8.1235 -8.0063 -8.0063 -6.6017 -6.6017 -6.5168 -6.5168 -4.7793 -4.7793 -4.6321 -4.6321 -4.5950 -4.5950 -4.4482 -4.4482 2.0546 2.0546 2.3245 2.3245 2.3618 2.3618 2.4039 2.4039 2.4419 2.4419 2.8364 2.8364 3.1392 3.1392 3.3565 3.3565 3.8556 3.8556 3.8917 3.8917 4.0522 4.0522 4.2045 4.2045 11.2201 11.2201 11.4619 11.4619 11.5411 11.5411 12.0251 12.0251 12.2195 12.2195 k = 0.2843 0.2843-0.0000 ( 5693 PWs) bands (ev): -20.0172 -20.0172 -19.9483 -19.9483 -16.0778 -16.0778 -16.0659 -16.0659 -8.1326 -8.1326 -8.0057 -8.0057 -6.5952 -6.5952 -6.5137 -6.5137 -4.7722 -4.7722 -4.6271 -4.6271 -4.5885 -4.5885 -4.4421 -4.4421 2.0539 2.0539 2.3170 2.3170 2.3504 2.3504 2.3962 2.3962 2.4264 2.4264 2.8347 2.8347 3.1567 3.1567 3.3689 3.3689 3.8478 3.8478 3.8832 3.8832 4.0608 4.0608 4.2120 4.2120 11.2425 11.2425 11.4511 11.4511 11.5298 11.5298 12.0111 12.0111 12.1403 12.1403 k = 0.2745 0.2745-0.0000 ( 5703 PWs) bands (ev): -20.0227 -20.0227 -19.9486 -19.9486 -16.0740 -16.0740 -16.0610 -16.0610 -8.1413 -8.1413 -8.0046 -8.0046 -6.5889 -6.5889 -6.5112 -6.5112 -4.7650 -4.7650 -4.6229 -4.6229 -4.5815 -4.5815 -4.4370 -4.4370 2.0538 2.0538 2.3015 2.3015 2.3360 2.3360 2.3936 2.3936 2.4181 2.4181 2.8324 2.8324 3.1768 3.1768 3.3814 3.3814 3.8385 3.8385 3.8733 3.8733 4.0711 4.0711 4.2197 4.2197 11.2667 11.2667 11.4419 11.4419 11.5184 11.5184 11.9176 11.9176 12.1428 12.1428 k = 0.2647 0.2647-0.0000 ( 5703 PWs) bands (ev): -20.0282 -20.0282 -19.9489 -19.9489 -16.0701 -16.0701 -16.0561 -16.0561 -8.1496 -8.1496 -8.0029 -8.0029 -6.5827 -6.5827 -6.5092 -6.5092 -4.7579 -4.7579 -4.6191 -4.6191 -4.5742 -4.5742 -4.4329 -4.4329 2.0544 2.0544 2.2829 2.2829 2.3194 2.3194 2.3826 2.3826 2.4247 2.4247 2.8297 2.8297 3.1993 3.1993 3.3939 3.3939 3.8280 3.8280 3.8623 3.8623 4.0828 4.0828 4.2276 4.2276 11.2905 11.2905 11.4352 11.4352 11.5078 11.5078 11.7990 11.7990 12.1731 12.1731 k = 0.2549 0.2549-0.0000 ( 5707 PWs) bands (ev): -20.0337 -20.0337 -19.9492 -19.9492 -16.0663 -16.0663 -16.0512 -16.0512 -8.1574 -8.1574 -8.0006 -8.0006 -6.5767 -6.5767 -6.5078 -6.5078 -4.7510 -4.7510 -4.6155 -4.6155 -4.5667 -4.5667 -4.4298 -4.4298 2.0555 2.0555 2.2632 2.2632 2.3026 2.3026 2.3676 2.3676 2.4381 2.4381 2.8264 2.8264 3.2241 3.2241 3.4064 3.4064 3.8166 3.8166 3.8504 3.8504 4.0954 4.0954 4.2356 4.2356 11.3101 11.3101 11.4319 11.4319 11.5002 11.5002 11.6774 11.6774 12.2098 12.2098 k = 0.2451 0.2451-0.0000 ( 5707 PWs) bands (ev): -20.0393 -20.0393 -19.9496 -19.9496 -16.0624 -16.0624 -16.0463 -16.0463 -8.1647 -8.1647 -7.9978 -7.9978 -6.5709 -6.5709 -6.5069 -6.5069 -4.7445 -4.7445 -4.6121 -4.6121 -4.5592 -4.5592 -4.4276 -4.4276 2.0569 2.0569 2.2433 2.2433 2.2863 2.2863 2.3521 2.3521 2.4536 2.4536 2.8227 2.8227 3.2508 3.2508 3.4189 3.4189 3.8048 3.8048 3.8382 3.8382 4.1085 4.1085 4.2438 4.2438 11.3212 11.3212 11.4308 11.4308 11.4993 11.4993 11.5577 11.5577 12.2484 12.2484 k = 0.2353 0.2353-0.0000 ( 5699 PWs) bands (ev): -20.0448 -20.0448 -19.9499 -19.9499 -16.0586 -16.0586 -16.0413 -16.0413 -8.1715 -8.1715 -7.9943 -7.9943 -6.5655 -6.5655 -6.5065 -6.5065 -4.7384 -4.7384 -4.6085 -4.6085 -4.5518 -4.5518 -4.4263 -4.4263 2.0584 2.0584 2.2238 2.2238 2.2707 2.2707 2.3367 2.3367 2.4698 2.4698 2.8186 2.8186 3.2790 3.2790 3.4314 3.4314 3.7928 3.7928 3.8260 3.8260 4.1219 4.1219 4.2522 4.2522 11.3221 11.3221 11.4235 11.4235 11.4384 11.4384 11.5169 11.5169 12.2424 12.2424 k = 0.2255 0.2255-0.0000 ( 5707 PWs) bands (ev): -20.0503 -20.0503 -19.9502 -19.9502 -16.0549 -16.0549 -16.0364 -16.0364 -8.1777 -8.1777 -7.9902 -7.9902 -6.5605 -6.5605 -6.5065 -6.5065 -4.7331 -4.7331 -4.6047 -4.6047 -4.5446 -4.5446 -4.4258 -4.4258 2.0597 2.0597 2.2054 2.2054 2.2557 2.2557 2.3218 2.3218 2.4861 2.4861 2.8142 2.8142 3.3082 3.3082 3.4438 3.4438 3.7812 3.7812 3.8143 3.8143 4.1354 4.1354 4.2608 4.2608 11.3122 11.3122 11.3203 11.3203 11.4202 11.4202 11.5425 11.5425 12.2207 12.2207 k = 0.2157 0.2157-0.0000 ( 5703 PWs) bands (ev): -20.0557 -20.0557 -19.9505 -19.9505 -16.0511 -16.0511 -16.0315 -16.0315 -8.1835 -8.1835 -7.9856 -7.9856 -6.5559 -6.5559 -6.5070 -6.5070 -4.7286 -4.7286 -4.6006 -4.6006 -4.5376 -4.5376 -4.4262 -4.4262 2.0605 2.0605 2.1885 2.1885 2.2415 2.2415 2.3073 2.3073 2.5024 2.5024 2.8094 2.8094 3.3375 3.3375 3.4562 3.4562 3.7702 3.7702 3.8038 3.8038 4.1488 4.1488 4.2695 4.2695 11.2032 11.2032 11.3022 11.3022 11.4095 11.4095 11.5760 11.5760 12.2021 12.2021 k = 0.2059 0.2059-0.0000 ( 5703 PWs) bands (ev): -20.0611 -20.0611 -19.9509 -19.9509 -16.0475 -16.0475 -16.0266 -16.0266 -8.1886 -8.1886 -7.9805 -7.9805 -6.5517 -6.5517 -6.5079 -6.5079 -4.7250 -4.7250 -4.5960 -4.5960 -4.5308 -4.5308 -4.4272 -4.4272 2.0602 2.0602 2.1736 2.1736 2.2279 2.2279 2.2935 2.2935 2.5185 2.5185 2.8044 2.8044 3.3659 3.3659 3.4684 3.4684 3.7603 3.7603 3.7952 3.7952 4.1618 4.1618 4.2785 4.2785 11.0921 11.0921 11.2843 11.2843 11.3983 11.3983 11.6128 11.6128 12.1659 12.1659 k = 0.1961 0.1961-0.0000 ( 5699 PWs) bands (ev): -20.0663 -20.0663 -19.9512 -19.9512 -16.0439 -16.0439 -16.0219 -16.0219 -8.1933 -8.1933 -7.9748 -7.9748 -6.5481 -6.5481 -6.5090 -6.5090 -4.7225 -4.7225 -4.5909 -4.5909 -4.5244 -4.5244 -4.4289 -4.4289 2.0585 2.0585 2.1612 2.1612 2.2150 2.2150 2.2803 2.2803 2.5341 2.5341 2.7992 2.7992 3.3920 3.3920 3.4805 3.4805 3.7515 3.7515 3.7900 3.7900 4.1744 4.1744 4.2875 4.2875 10.9842 10.9842 11.2622 11.2622 11.3875 11.3875 11.6504 11.6504 12.1104 12.1104 k = 0.1863 0.1863-0.0000 ( 5707 PWs) bands (ev): -20.0714 -20.0714 -19.9515 -19.9515 -16.0404 -16.0404 -16.0172 -16.0172 -8.1974 -8.1974 -7.9688 -7.9688 -6.5451 -6.5451 -6.5104 -6.5104 -4.7211 -4.7211 -4.5853 -4.5853 -4.5182 -4.5182 -4.4311 -4.4311 2.0549 2.0549 2.1516 2.1516 2.2028 2.2028 2.2679 2.2679 2.5493 2.5493 2.7938 2.7938 3.4143 3.4143 3.4924 3.4924 3.7434 3.7434 3.7901 3.7901 4.1864 4.1864 4.2968 4.2968 10.8799 10.8799 11.2358 11.2358 11.3775 11.3775 11.6876 11.6876 12.0561 12.0561 k = 0.1765 0.1765-0.0000 ( 5707 PWs) bands (ev): -20.0764 -20.0764 -19.9518 -19.9518 -16.0370 -16.0370 -16.0127 -16.0127 -8.2010 -8.2010 -7.9623 -7.9623 -6.5428 -6.5428 -6.5119 -6.5119 -4.7207 -4.7207 -4.5792 -4.5792 -4.5124 -4.5124 -4.4337 -4.4337 2.0494 2.0494 2.1449 2.1449 2.1912 2.1912 2.2562 2.2562 2.5641 2.5641 2.7883 2.7883 3.4314 3.4314 3.5041 3.5041 3.7359 3.7359 3.7972 3.7972 4.1979 4.1979 4.3061 4.3061 10.7793 10.7793 11.2050 11.2050 11.3688 11.3688 11.7235 11.7235 12.0033 12.0033 k = 0.1667 0.1667-0.0000 ( 5713 PWs) bands (ev): -20.0812 -20.0812 -19.9521 -19.9521 -16.0337 -16.0337 -16.0082 -16.0082 -8.2041 -8.2041 -7.9555 -7.9555 -6.5412 -6.5412 -6.5134 -6.5134 -4.7214 -4.7214 -4.5728 -4.5728 -4.5069 -4.5069 -4.4367 -4.4367 2.0423 2.0423 2.1404 2.1404 2.1803 2.1803 2.2453 2.2453 2.5782 2.5782 2.7828 2.7828 3.4424 3.4424 3.5155 3.5155 3.7288 3.7288 3.8120 3.8120 4.2088 4.2088 4.3154 4.3154 10.6828 10.6828 11.1696 11.1696 11.3614 11.3614 11.7578 11.7578 11.9523 11.9523 k = 0.1569 0.1569-0.0000 ( 5705 PWs) bands (ev): -20.0859 -20.0859 -19.9524 -19.9524 -16.0306 -16.0306 -16.0039 -16.0039 -8.2067 -8.2067 -7.9484 -7.9484 -6.5405 -6.5405 -6.5147 -6.5147 -4.7229 -4.7229 -4.5659 -4.5659 -4.5018 -4.5018 -4.4400 -4.4400 2.0342 2.0342 2.1376 2.1376 2.1700 2.1700 2.2353 2.2353 2.5917 2.5917 2.7773 2.7773 3.4474 3.4474 3.5263 3.5263 3.7224 3.7224 3.8343 3.8343 4.2191 4.2191 4.3247 4.3247 10.5905 10.5905 11.1298 11.1298 11.3554 11.3554 11.7903 11.7903 11.9035 11.9035 k = 0.1471 0.1471-0.0000 ( 5707 PWs) bands (ev): -20.0903 -20.0903 -19.9527 -19.9527 -16.0276 -16.0276 -15.9998 -15.9998 -8.2089 -8.2089 -7.9411 -7.9411 -6.5408 -6.5408 -6.5157 -6.5157 -4.7253 -4.7253 -4.5589 -4.5589 -4.4970 -4.4970 -4.4434 -4.4434 2.0258 2.0258 2.1357 2.1357 2.1604 2.1604 2.2262 2.2262 2.6045 2.6045 2.7719 2.7719 3.4472 3.4472 3.5364 3.5364 3.7170 3.7170 3.8628 3.8628 4.2289 4.2289 4.3339 4.3339 10.5026 10.5026 11.0857 11.0857 11.3507 11.3507 11.8197 11.8197 11.8582 11.8582 k = 0.1373 0.1373-0.0000 ( 5703 PWs) bands (ev): -20.0945 -20.0945 -19.9530 -19.9530 -16.0247 -16.0247 -15.9959 -15.9959 -8.2108 -8.2108 -7.9337 -7.9337 -6.5419 -6.5419 -6.5164 -6.5164 -4.7283 -4.7283 -4.5518 -4.5518 -4.4925 -4.4925 -4.4470 -4.4470 2.0176 2.0176 2.1341 2.1341 2.1515 2.1515 2.2180 2.2180 2.6166 2.6166 2.7666 2.7666 3.4430 3.4430 3.5456 3.5456 3.7127 3.7127 3.8960 3.8960 4.2382 4.2382 4.3428 4.3428 10.4194 10.4194 11.0378 11.0378 11.3473 11.3473 11.8089 11.8089 11.8532 11.8532 k = 0.1275 0.1275-0.0000 ( 5699 PWs) bands (ev): -20.0986 -20.0986 -19.9533 -19.9533 -16.0220 -16.0220 -15.9922 -15.9922 -8.2122 -8.2122 -7.9262 -7.9262 -6.5438 -6.5438 -6.5168 -6.5168 -4.7318 -4.7318 -4.5447 -4.5447 -4.4885 -4.4885 -4.4506 -4.4506 2.0099 2.0099 2.1324 2.1324 2.1433 2.1433 2.2108 2.2108 2.6279 2.6279 2.7616 2.7616 3.4360 3.4360 3.5539 3.5539 3.7097 3.7097 3.9321 3.9321 4.2473 4.2473 4.3515 4.3515 10.3409 10.3409 10.9868 10.9868 11.3449 11.3449 11.7680 11.7680 11.8774 11.8774 k = 0.1176 0.1176-0.0000 ( 5709 PWs) bands (ev): -20.1023 -20.1023 -19.9535 -19.9535 -16.0195 -16.0195 -15.9886 -15.9886 -8.2133 -8.2133 -7.9188 -7.9188 -6.5463 -6.5463 -6.5171 -6.5171 -4.7357 -4.7357 -4.5376 -4.5376 -4.4848 -4.4848 -4.4541 -4.4541 2.0028 2.0028 2.1302 2.1302 2.1358 2.1358 2.2045 2.2045 2.6383 2.6383 2.7569 2.7569 3.4273 3.4273 3.5613 3.5613 3.7080 3.7080 3.9695 3.9695 4.2563 4.2563 4.3597 4.3597 10.2675 10.2675 10.9334 10.9334 11.3434 11.3434 11.7287 11.7287 11.8951 11.8951 k = 0.1078 0.1078-0.0000 ( 5703 PWs) bands (ev): -20.1059 -20.1059 -19.9538 -19.9538 -16.0171 -16.0171 -15.9853 -15.9853 -8.2142 -8.2142 -7.9115 -7.9115 -6.5491 -6.5491 -6.5173 -6.5173 -4.7399 -4.7399 -4.5308 -4.5308 -4.4815 -4.4815 -4.4575 -4.4575 1.9965 1.9965 2.1271 2.1271 2.1294 2.1294 2.1991 2.1991 2.6478 2.6478 2.7526 2.7526 3.4174 3.4174 3.5677 3.5677 3.7075 3.7075 4.0069 4.0069 4.2653 4.2653 4.3675 4.3675 10.1992 10.1992 10.8787 10.8787 11.3426 11.3426 11.6921 11.6921 11.8944 11.8944 k = 0.0980 0.0980-0.0000 ( 5703 PWs) bands (ev): -20.1091 -20.1091 -19.9540 -19.9540 -16.0149 -16.0149 -15.9823 -15.9823 -8.2148 -8.2148 -7.9044 -7.9044 -6.5521 -6.5521 -6.5175 -6.5175 -4.7442 -4.7442 -4.5242 -4.5242 -4.4786 -4.4786 -4.4606 -4.4606 1.9912 1.9912 2.1218 2.1218 2.1255 2.1255 2.1944 2.1944 2.6564 2.6564 2.7488 2.7488 3.4072 3.4072 3.5733 3.5733 3.7082 3.7082 4.0431 4.0431 4.2746 4.2746 4.3749 4.3749 10.1362 10.1362 10.8238 10.8238 11.3424 11.3424 11.6583 11.6583 11.8699 11.8699 k = 0.0882 0.0882-0.0000 ( 5691 PWs) bands (ev): -20.1121 -20.1121 -19.9542 -19.9542 -16.0129 -16.0129 -15.9795 -15.9795 -8.2152 -8.2152 -7.8977 -7.8977 -6.5552 -6.5552 -6.5177 -6.5177 -4.7486 -4.7486 -4.5180 -4.5180 -4.4761 -4.4761 -4.4635 -4.4635 1.9866 1.9866 2.1162 2.1162 2.1221 2.1221 2.1904 2.1904 2.6638 2.6638 2.7456 2.7456 3.3970 3.3970 3.5781 3.5781 3.7097 3.7097 4.0768 4.0768 4.2845 4.2845 4.3817 4.3817 10.0787 10.0787 10.7699 10.7699 11.3426 11.3426 11.6274 11.6274 11.8361 11.8361 k = 0.0784 0.0784-0.0000 ( 5693 PWs) bands (ev): -20.1148 -20.1148 -19.9544 -19.9544 -16.0111 -16.0111 -15.9769 -15.9769 -8.2154 -8.2154 -7.8914 -7.8914 -6.5583 -6.5583 -6.5180 -6.5180 -4.7528 -4.7528 -4.5123 -4.5123 -4.4742 -4.4742 -4.4660 -4.4660 1.9830 1.9830 2.1112 2.1112 2.1187 2.1187 2.1868 2.1868 2.6702 2.6702 2.7430 2.7430 3.3871 3.3871 3.5822 3.5822 3.7119 3.7119 4.1071 4.1071 4.2951 4.2951 4.3879 4.3879 10.0268 10.0268 10.7180 10.7180 11.3430 11.3430 11.5997 11.5997 11.8029 11.8029 k = 0.0686 0.0686-0.0000 ( 5695 PWs) bands (ev): -20.1172 -20.1172 -19.9546 -19.9546 -16.0095 -16.0095 -15.9747 -15.9747 -8.2155 -8.2155 -7.8855 -7.8855 -6.5612 -6.5612 -6.5183 -6.5183 -4.7567 -4.7567 -4.5070 -4.5070 -4.4729 -4.4729 -4.4679 -4.4679 1.9801 1.9801 2.1067 2.1067 2.1152 2.1152 2.1837 2.1837 2.6753 2.6753 2.7412 2.7412 3.3779 3.3779 3.5856 3.5856 3.7146 3.7146 4.1333 4.1333 4.3066 4.3066 4.3936 4.3936 9.9807 9.9807 10.6694 10.6694 11.3435 11.3435 11.5751 11.5751 11.7729 11.7729 k = 0.0588 0.0588-0.0000 ( 5699 PWs) bands (ev): -20.1193 -20.1193 -19.9547 -19.9547 -16.0081 -16.0081 -15.9727 -15.9727 -8.2155 -8.2155 -7.8803 -7.8803 -6.5639 -6.5639 -6.5186 -6.5186 -4.7604 -4.7604 -4.5024 -4.5024 -4.4727 -4.4727 -4.4686 -4.4686 1.9779 1.9779 2.1029 2.1029 2.1119 2.1119 2.1810 2.1810 2.6793 2.6793 2.7401 2.7401 3.3696 3.3696 3.5885 3.5885 3.7174 3.7174 4.1549 4.1549 4.3188 4.3188 4.3987 4.3987 9.9405 9.9405 10.6250 10.6250 11.3441 11.3441 11.5537 11.5537 11.7470 11.7470 k = 0.0490 0.0490-0.0000 ( 5697 PWs) bands (ev): -20.1211 -20.1211 -19.9548 -19.9548 -16.0069 -16.0069 -15.9710 -15.9710 -8.2154 -8.2154 -7.8757 -7.8757 -6.5663 -6.5663 -6.5189 -6.5189 -4.7636 -4.7636 -4.4984 -4.4984 -4.4733 -4.4733 -4.4685 -4.4685 1.9763 1.9763 2.0996 2.0996 2.1089 2.1089 2.1787 2.1787 2.6822 2.6822 2.7397 2.7397 3.3622 3.3622 3.5909 3.5909 3.7202 3.7202 4.1719 4.1719 4.3311 4.3311 4.4033 4.4033 9.9063 9.9063 10.5859 10.5859 11.3447 11.3447 11.5356 11.5356 11.7253 11.7253 k = 0.0392 0.0392-0.0000 ( 5685 PWs) bands (ev): -20.1226 -20.1226 -19.9549 -19.9549 -16.0059 -16.0059 -15.9696 -15.9696 -8.2153 -8.2153 -7.8718 -7.8718 -6.5684 -6.5684 -6.5192 -6.5192 -4.7664 -4.7664 -4.4952 -4.4952 -4.4738 -4.4738 -4.4683 -4.4683 1.9752 1.9752 2.0970 2.0970 2.1062 2.1062 2.1767 2.1767 2.6841 2.6841 2.7397 2.7397 3.3561 3.3561 3.5928 3.5928 3.7227 3.7227 4.1847 4.1847 4.3426 4.3426 4.4074 4.4074 9.8782 9.8782 10.5527 10.5527 11.3452 11.3452 11.5207 11.5207 11.7077 11.7077 k = 0.0294 0.0294-0.0000 ( 5687 PWs) bands (ev): -20.1237 -20.1237 -19.9550 -19.9550 -16.0052 -16.0052 -15.9685 -15.9685 -8.2152 -8.2152 -7.8688 -7.8688 -6.5701 -6.5701 -6.5195 -6.5195 -4.7686 -4.7686 -4.4929 -4.4929 -4.4739 -4.4739 -4.4682 -4.4682 1.9744 1.9744 2.0949 2.0949 2.1041 2.1041 2.1751 2.1751 2.6854 2.6854 2.7400 2.7400 3.3512 3.3512 3.5943 3.5943 3.7248 3.7248 4.1938 4.1938 4.3525 4.3525 4.4110 4.4110 9.8562 9.8562 10.5262 10.5262 11.3456 11.3456 11.5091 11.5091 11.6941 11.6941 k = 0.0196 0.0196-0.0000 ( 5687 PWs) bands (ev): -20.1245 -20.1245 -19.9551 -19.9551 -16.0046 -16.0046 -15.9677 -15.9677 -8.2152 -8.2152 -7.8665 -7.8665 -6.5713 -6.5713 -6.5197 -6.5197 -4.7702 -4.7702 -4.4915 -4.4915 -4.4736 -4.4736 -4.4684 -4.4684 1.9740 1.9740 2.0934 2.0934 2.1024 2.1024 2.1739 2.1739 2.6861 2.6861 2.7404 2.7404 3.3477 3.3477 3.5954 3.5954 3.7264 3.7264 4.1999 4.1999 4.3599 4.3599 4.4138 4.4138 9.8405 9.8405 10.5069 10.5069 11.3459 11.3459 11.5008 11.5008 11.6845 11.6845 k = 0.0098 0.0098-0.0000 ( 5695 PWs) bands (ev): -20.1250 -20.1250 -19.9551 -19.9551 -16.0043 -16.0043 -15.9672 -15.9672 -8.2151 -8.2151 -7.8652 -7.8652 -6.5720 -6.5720 -6.5198 -6.5198 -4.7712 -4.7712 -4.4907 -4.4907 -4.4731 -4.4731 -4.4686 -4.4686 1.9738 1.9738 2.0925 2.0925 2.1014 2.1014 2.1732 2.1732 2.6864 2.6864 2.7407 2.7407 3.3455 3.3455 3.5961 3.5961 3.7274 3.7274 4.2034 4.2034 4.3645 4.3645 4.4156 4.4156 9.8310 9.8310 10.4951 10.4951 11.3461 11.3461 11.4958 11.4958 11.6788 11.6788 k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -20.1252 -20.1252 -19.9551 -19.9551 -16.0042 -16.0042 -15.9671 -15.9671 -8.2151 -8.2151 -7.8647 -7.8647 -6.5723 -6.5723 -6.5199 -6.5199 -4.7716 -4.7716 -4.4904 -4.4904 -4.4729 -4.4729 -4.4687 -4.4687 1.9737 1.9737 2.0923 2.0923 2.1011 2.1011 2.1730 2.1730 2.6865 2.6865 2.7408 2.7408 3.3448 3.3448 3.5963 3.5963 3.7278 3.7278 4.2045 4.2045 4.3660 4.3660 4.4162 4.4162 9.8278 9.8278 10.4912 10.4912 11.3462 11.3462 11.4941 11.4941 11.6769 11.6769 k = 0.0000 0.0000 0.0000 ( 5691 PWs) bands (ev): -20.1252 -20.1252 -19.9551 -19.9551 -16.0042 -16.0042 -15.9671 -15.9671 -8.2151 -8.2151 -7.8647 -7.8647 -6.5723 -6.5723 -6.5199 -6.5199 -4.7716 -4.7716 -4.4904 -4.4904 -4.4729 -4.4729 -4.4687 -4.4687 1.9737 1.9737 2.0923 2.0923 2.1011 2.1011 2.1730 2.1730 2.6865 2.6865 2.7408 2.7408 3.3448 3.3448 3.5963 3.5963 3.7278 3.7278 4.2045 4.2045 4.3660 4.3660 4.4162 4.4162 9.8278 9.8278 10.4912 10.4912 11.3462 11.3462 11.4941 11.4941 11.6769 11.6769 k = 0.0000 0.0000 0.0138 ( 5683 PWs) bands (ev): -20.1252 -20.1252 -19.9552 -19.9552 -16.0042 -16.0042 -15.9671 -15.9671 -8.2153 -8.2153 -7.8646 -7.8646 -6.5728 -6.5728 -6.5192 -6.5192 -4.7714 -4.7714 -4.4914 -4.4914 -4.4730 -4.4730 -4.4676 -4.4676 1.9734 1.9734 2.0922 2.0922 2.1012 2.1012 2.1731 2.1731 2.6861 2.6861 2.7404 2.7404 3.3452 3.3452 3.5970 3.5970 3.7285 3.7285 4.2039 4.2039 4.3657 4.3657 4.4145 4.4145 9.8295 9.8295 10.4947 10.4947 11.3492 11.3492 11.4914 11.4914 11.6773 11.6773 k = 0.0000 0.0000 0.0277 ( 5691 PWs) bands (ev): -20.1251 -20.1251 -19.9552 -19.9552 -16.0042 -16.0042 -15.9671 -15.9671 -8.2157 -8.2157 -7.8644 -7.8644 -6.5743 -6.5743 -6.5173 -6.5173 -4.7711 -4.7711 -4.4939 -4.4939 -4.4734 -4.4734 -4.4647 -4.4647 1.9725 1.9725 2.0922 2.0922 2.1016 2.1016 2.1735 2.1735 2.6850 2.6850 2.7392 2.7392 3.3464 3.3464 3.5990 3.5990 3.7305 3.7305 4.2022 4.2022 4.3647 4.3647 4.4093 4.4093 9.8343 9.8343 10.5049 10.5049 11.3584 11.3584 11.4832 11.4832 11.6786 11.6786 k = 0.0000 0.0000 0.0415 ( 5703 PWs) bands (ev): -20.1250 -20.1250 -19.9554 -19.9554 -16.0042 -16.0042 -15.9671 -15.9671 -8.2166 -8.2166 -7.8640 -7.8640 -6.5766 -6.5766 -6.5144 -6.5144 -4.7706 -4.7706 -4.4971 -4.4971 -4.4740 -4.4740 -4.4608 -4.4608 1.9711 1.9711 2.0922 2.0922 2.1021 2.1021 2.1741 2.1741 2.6832 2.6832 2.7373 2.7373 3.3485 3.3485 3.6023 3.6023 3.7337 3.7337 4.1993 4.1993 4.3630 4.3630 4.4008 4.4008 9.8424 9.8424 10.5219 10.5219 11.3734 11.3734 11.4693 11.4693 11.6809 11.6809 k = 0.0000 0.0000 0.0554 ( 5683 PWs) bands (ev): -20.1248 -20.1248 -19.9556 -19.9556 -16.0042 -16.0042 -15.9671 -15.9671 -8.2177 -8.2177 -7.8635 -7.8635 -6.5795 -6.5795 -6.5108 -6.5108 -4.7699 -4.7699 -4.5006 -4.5006 -4.4748 -4.4748 -4.4563 -4.4563 1.9693 1.9693 2.0921 2.0921 2.1029 2.1029 2.1749 2.1749 2.6807 2.6807 2.7346 2.7346 3.3515 3.3515 3.6069 3.6069 3.7383 3.7383 4.1950 4.1950 4.3607 4.3607 4.3893 4.3893 9.8537 9.8537 10.5454 10.5454 11.3940 11.3940 11.4499 11.4499 11.6845 11.6845 k = 0.0000 0.0000 0.0692 ( 5699 PWs) bands (ev): -20.1246 -20.1246 -19.9558 -19.9558 -16.0041 -16.0041 -15.9671 -15.9671 -8.2190 -8.2190 -7.8628 -7.8628 -6.5826 -6.5826 -6.5066 -6.5066 -4.7690 -4.7690 -4.5041 -4.5041 -4.4758 -4.4758 -4.4516 -4.4516 1.9669 1.9669 2.0921 2.0921 2.1038 2.1038 2.1760 2.1760 2.6775 2.6775 2.7312 2.7312 3.3554 3.3554 3.6126 3.6126 3.7440 3.7440 4.1894 4.1894 4.3578 4.3578 4.3751 4.3751 9.8681 9.8681 10.5749 10.5749 11.4199 11.4199 11.4251 11.4251 11.6895 11.6895 k = 0.0000 0.0000 0.0831 ( 5707 PWs) bands (ev): -20.1243 -20.1243 -19.9561 -19.9561 -16.0041 -16.0041 -15.9671 -15.9671 -8.2207 -8.2207 -7.8621 -7.8621 -6.5859 -6.5859 -6.5021 -6.5021 -4.7679 -4.7679 -4.5076 -4.5076 -4.4770 -4.4770 -4.4467 -4.4467 1.9641 1.9641 2.0920 2.0920 2.1049 2.1049 2.1773 2.1773 2.6739 2.6739 2.7273 2.7273 3.3602 3.3602 3.6195 3.6195 3.7508 3.7508 4.1821 4.1821 4.3543 4.3543 4.3588 4.3588 9.8857 9.8857 10.6101 10.6101 11.3949 11.3949 11.4505 11.4505 11.6961 11.6961 k = 0.0000 0.0000 0.0969 ( 5707 PWs) bands (ev): -20.1240 -20.1240 -19.9564 -19.9564 -16.0041 -16.0041 -15.9671 -15.9671 -8.2225 -8.2225 -7.8613 -7.8613 -6.5893 -6.5893 -6.4974 -6.4974 -4.7667 -4.7667 -4.5108 -4.5108 -4.4784 -4.4784 -4.4418 -4.4418 1.9610 1.9610 2.0919 2.0919 2.1060 2.1060 2.1788 2.1788 2.6697 2.6697 2.7228 2.7228 3.3661 3.3661 3.6272 3.6272 3.7585 3.7585 4.1729 4.1729 4.3409 4.3409 4.3503 4.3503 9.9064 9.9064 10.6504 10.6504 11.3599 11.3599 11.4851 11.4851 11.7041 11.7041 k = 0.0000 0.0000 0.1108 ( 5707 PWs) bands (ev): -20.1236 -20.1236 -19.9568 -19.9568 -16.0040 -16.0040 -15.9671 -15.9671 -8.2245 -8.2245 -7.8603 -7.8603 -6.5926 -6.5926 -6.4926 -6.4926 -4.7654 -4.7654 -4.5139 -4.5139 -4.4799 -4.4799 -4.4369 -4.4369 1.9575 1.9575 2.0918 2.0918 2.1073 2.1073 2.1804 2.1804 2.6652 2.6652 2.7179 2.7179 3.3730 3.3730 3.6358 3.6358 3.7670 3.7670 4.1616 4.1616 4.3221 4.3221 4.3457 4.3457 9.9301 9.9301 10.6954 10.6954 11.3204 11.3204 11.5230 11.5230 11.7136 11.7136 k = 0.0000 0.0000 0.1246 ( 5699 PWs) bands (ev): -20.1233 -20.1233 -19.9572 -19.9572 -16.0040 -16.0040 -15.9671 -15.9671 -8.2266 -8.2266 -7.8594 -7.8594 -6.5957 -6.5957 -6.4879 -6.4879 -4.7639 -4.7639 -4.5168 -4.5168 -4.4816 -4.4816 -4.4321 -4.4321 1.9539 1.9539 2.0917 2.0917 2.1086 2.1086 2.1822 2.1822 2.6604 2.6604 2.7127 2.7127 3.3811 3.3811 3.6450 3.6450 3.7763 3.7763 4.1476 4.1476 4.3033 4.3033 4.3407 4.3407 9.9568 9.9568 10.7443 10.7443 11.2768 11.2768 11.5631 11.5631 11.7245 11.7245 k = 0.0000 0.0000 0.1385 ( 5707 PWs) bands (ev): -20.1229 -20.1229 -19.9576 -19.9576 -16.0040 -16.0040 -15.9671 -15.9671 -8.2287 -8.2287 -7.8584 -7.8584 -6.5987 -6.5987 -6.4832 -6.4832 -4.7624 -4.7624 -4.5194 -4.5194 -4.4833 -4.4833 -4.4275 -4.4275 1.9501 1.9501 2.0915 2.0915 2.1098 2.1098 2.1841 2.1841 2.6555 2.6555 2.7073 2.7073 3.3903 3.3903 3.6548 3.6548 3.7860 3.7860 4.1308 4.1308 4.2853 4.2853 4.3353 4.3353 9.9864 9.9864 10.7966 10.7966 11.2297 11.2297 11.6043 11.6043 11.7366 11.7366 k = 0.0000 0.0000 0.1523 ( 5699 PWs) bands (ev): -20.1225 -20.1225 -19.9580 -19.9580 -16.0039 -16.0039 -15.9671 -15.9671 -8.2309 -8.2309 -7.8574 -7.8574 -6.6015 -6.6015 -6.4787 -6.4787 -4.7608 -4.7608 -4.5218 -4.5218 -4.4851 -4.4851 -4.4230 -4.4230 1.9463 1.9463 2.0914 2.0914 2.1111 2.1111 2.1861 2.1861 2.6505 2.6505 2.7018 2.7018 3.4007 3.4007 3.6649 3.6649 3.7962 3.7962 4.1109 4.1109 4.2686 4.2686 4.3296 4.3296 10.0188 10.0188 10.8515 10.8515 11.1796 11.1796 11.6452 11.6452 11.7498 11.7498 k = 0.0000 0.0000 0.1662 ( 5715 PWs) bands (ev): -20.1221 -20.1221 -19.9584 -19.9584 -16.0039 -16.0039 -15.9671 -15.9671 -8.2331 -8.2331 -7.8564 -7.8564 -6.6041 -6.6041 -6.4745 -6.4745 -4.7592 -4.7592 -4.5240 -4.5240 -4.4869 -4.4869 -4.4188 -4.4188 1.9425 1.9425 2.0913 2.0913 2.1124 2.1124 2.1881 2.1881 2.6455 2.6455 2.6963 2.6963 3.4121 3.4121 3.6751 3.6751 3.8065 3.8065 4.0883 4.0883 4.2536 4.2536 4.3237 4.3237 10.0540 10.0540 10.9084 10.9084 11.1270 11.1270 11.6842 11.6842 11.7640 11.7640 k = 0.0000 0.0000 0.1800 ( 5703 PWs) bands (ev): -20.1218 -20.1218 -19.9588 -19.9588 -16.0039 -16.0039 -15.9671 -15.9671 -8.2352 -8.2352 -7.8555 -7.8555 -6.6065 -6.6065 -6.4705 -6.4705 -4.7576 -4.7576 -4.5260 -4.5260 -4.4887 -4.4887 -4.4148 -4.4148 1.9387 1.9387 2.0912 2.0912 2.1136 2.1136 2.1902 2.1902 2.6406 2.6406 2.6908 2.6908 3.4246 3.4246 3.6853 3.6853 3.8167 3.8167 4.0633 4.0633 4.2404 4.2404 4.3177 4.3177 10.0917 10.0917 10.9664 10.9664 11.0722 11.0722 11.7196 11.7196 11.7788 11.7788 k = 0.0000 0.0000 0.1939 ( 5711 PWs) bands (ev): -20.1214 -20.1214 -19.9592 -19.9592 -16.0039 -16.0039 -15.9671 -15.9671 -8.2373 -8.2373 -7.8546 -7.8546 -6.6086 -6.6086 -6.4668 -6.4668 -4.7560 -4.7560 -4.5277 -4.5277 -4.4905 -4.4905 -4.4112 -4.4112 1.9351 1.9351 2.0910 2.0910 2.1147 2.1147 2.1921 2.1921 2.6360 2.6360 2.6856 2.6856 3.4380 3.4380 3.6953 3.6953 3.8268 3.8268 4.0367 4.0367 4.2289 4.2289 4.3117 4.3117 10.1320 10.1320 11.0158 11.0158 11.0248 11.0248 11.7497 11.7497 11.7942 11.7942 k = 0.0000 0.0000 0.2077 ( 5707 PWs) bands (ev): -20.1210 -20.1210 -19.9596 -19.9596 -16.0038 -16.0038 -15.9671 -15.9671 -8.2391 -8.2391 -7.8538 -7.8538 -6.6104 -6.6104 -6.4634 -6.4634 -4.7545 -4.7545 -4.5291 -4.5291 -4.4921 -4.4921 -4.4079 -4.4079 1.9318 1.9318 2.0909 2.0909 2.1157 2.1157 2.1940 2.1940 2.6317 2.6317 2.6808 2.6808 3.4521 3.4521 3.7049 3.7049 3.8364 3.8364 4.0094 4.0094 4.2190 4.2190 4.3058 4.3058 10.1746 10.1746 10.9583 10.9583 11.0826 11.0826 11.7729 11.7729 11.8097 11.8097 k = 0.0000 0.0000 0.2215 ( 5707 PWs) bands (ev): -20.1207 -20.1207 -19.9599 -19.9599 -16.0038 -16.0038 -15.9671 -15.9671 -8.2409 -8.2409 -7.8530 -7.8530 -6.6121 -6.6121 -6.4605 -6.4605 -4.7532 -4.7532 -4.5304 -4.5304 -4.4937 -4.4937 -4.4049 -4.4049 1.9287 1.9287 2.0908 2.0908 2.1166 2.1166 2.1958 2.1958 2.6278 2.6278 2.6763 2.6763 3.4666 3.4666 3.7138 3.7138 3.8453 3.8453 3.9823 3.9823 4.2104 4.2104 4.3003 4.3003 10.2194 10.2194 10.9001 10.9001 11.1390 11.1390 11.7884 11.7884 11.8251 11.8251 k = 0.0000 0.0000 0.2354 ( 5707 PWs) bands (ev): -20.1204 -20.1204 -19.9602 -19.9602 -16.0038 -16.0038 -15.9671 -15.9671 -8.2424 -8.2424 -7.8524 -7.8524 -6.6134 -6.6134 -6.4579 -6.4579 -4.7519 -4.7519 -4.5315 -4.5315 -4.4950 -4.4950 -4.4024 -4.4024 1.9260 1.9260 2.0907 2.0907 2.1174 2.1174 2.1974 2.1974 2.6243 2.6243 2.6724 2.6724 3.4809 3.4809 3.7219 3.7219 3.8534 3.8534 3.9563 3.9563 4.2032 4.2032 4.2952 4.2952 10.2661 10.2661 10.8416 10.8416 11.1926 11.1926 11.7957 11.7957 11.8398 11.8398 k = 0.0000 0.0000 0.2492 ( 5695 PWs) bands (ev): -20.1202 -20.1202 -19.9605 -19.9605 -16.0037 -16.0037 -15.9671 -15.9671 -8.2436 -8.2436 -7.8518 -7.8518 -6.6146 -6.6146 -6.4558 -6.4558 -4.7509 -4.7509 -4.5323 -4.5323 -4.4962 -4.4962 -4.4003 -4.4003 1.9237 1.9237 2.0906 2.0906 2.1181 2.1181 2.1988 2.1988 2.6214 2.6214 2.6691 2.6691 3.4946 3.4946 3.7291 3.7291 3.8604 3.8604 3.9324 3.9324 4.1972 4.1972 4.2908 4.2908 10.3143 10.3143 10.7835 10.7835 11.2420 11.2420 11.7959 11.7959 11.8532 11.8532 k = 0.0000 0.0000 0.2631 ( 5694 PWs) bands (ev): -20.1200 -20.1200 -19.9607 -19.9607 -16.0037 -16.0037 -15.9671 -15.9671 -8.2446 -8.2446 -7.8514 -7.8514 -6.6154 -6.6154 -6.4541 -6.4541 -4.7501 -4.7501 -4.5330 -4.5330 -4.4971 -4.4971 -4.3986 -4.3986 1.9219 1.9219 2.0905 2.0905 2.1186 2.1186 2.1999 2.1999 2.6191 2.6191 2.6664 2.6664 3.5068 3.5068 3.7350 3.7350 3.8660 3.8660 3.9118 3.9118 4.1925 4.1925 4.2871 4.2871 10.3634 10.3634 10.7265 10.7265 11.2851 11.2851 11.7906 11.7906 11.8648 11.8648 k = 0.0000 0.0000 0.2769 ( 5710 PWs) bands (ev): -20.1199 -20.1199 -19.9608 -19.9608 -16.0037 -16.0037 -15.9671 -15.9671 -8.2454 -8.2454 -7.8511 -7.8511 -6.6161 -6.6161 -6.4529 -6.4529 -4.7494 -4.7494 -4.5334 -4.5334 -4.4978 -4.4978 -4.3974 -4.3974 1.9205 1.9205 2.0905 2.0905 2.1190 2.1190 2.2007 2.2007 2.6174 2.6174 2.6644 2.6644 3.5166 3.5166 3.7394 3.7394 3.8702 3.8702 3.8957 3.8957 4.1890 4.1890 4.2844 4.2844 10.4119 10.4119 10.6723 10.6723 11.3193 11.3193 11.7829 11.7829 11.8739 11.8739 k = 0.0000 0.0000 0.2908 ( 5710 PWs) bands (ev): -20.1198 -20.1198 -19.9609 -19.9609 -16.0037 -16.0037 -15.9671 -15.9671 -8.2458 -8.2458 -7.8509 -7.8509 -6.6164 -6.6164 -6.4522 -6.4522 -4.7491 -4.7491 -4.5337 -4.5337 -4.4982 -4.4982 -4.3967 -4.3967 1.9197 1.9197 2.0904 2.0904 2.1192 2.1192 2.2012 2.2012 2.6164 2.6164 2.6633 2.6633 3.5229 3.5229 3.7423 3.7423 3.8728 3.8728 3.8854 3.8854 4.1870 4.1870 4.2827 4.2827 10.4554 10.4554 10.6254 10.6254 11.3417 11.3417 11.7762 11.7762 11.8796 11.8796 k = 0.0000 0.0000 0.3046 ( 5718 PWs) bands (ev): -20.1198 -20.1198 -19.9609 -19.9609 -16.0037 -16.0037 -15.9671 -15.9671 -8.2460 -8.2460 -7.8508 -7.8508 -6.6166 -6.6166 -6.4519 -6.4519 -4.7489 -4.7489 -4.5338 -4.5338 -4.4984 -4.4984 -4.3965 -4.3965 1.9194 1.9194 2.0904 2.0904 2.1193 2.1193 2.2013 2.2013 2.6160 2.6160 2.6629 2.6629 3.5252 3.5252 3.7433 3.7433 3.8736 3.8736 3.8818 3.8818 4.1863 4.1863 4.2821 4.2821 10.4768 10.4768 10.6028 10.6028 11.3496 11.3496 11.7735 11.7735 11.8816 11.8816 k = 0.0000 0.0000 0.3046 ( 5718 PWs) bands (ev): -20.1198 -20.1198 -19.9609 -19.9609 -16.0037 -16.0037 -15.9671 -15.9671 -8.2460 -8.2460 -7.8508 -7.8508 -6.6166 -6.6166 -6.4519 -6.4519 -4.7489 -4.7489 -4.5338 -4.5338 -4.4984 -4.4984 -4.3965 -4.3965 1.9194 1.9194 2.0904 2.0904 2.1193 2.1193 2.2013 2.2013 2.6160 2.6160 2.6629 2.6629 3.5252 3.5252 3.7433 3.7433 3.8736 3.8736 3.8818 3.8818 4.1863 4.1863 4.2821 4.2821 10.4768 10.4768 10.6028 10.6028 11.3496 11.3496 11.7735 11.7735 11.8816 11.8816 k = 0.0000 0.0139 0.3046 ( 5718 PWs) bands (ev): -20.1196 -20.1196 -19.9609 -19.9609 -16.0038 -16.0038 -15.9673 -15.9673 -8.2460 -8.2460 -7.8512 -7.8512 -6.6163 -6.6163 -6.4519 -6.4519 -4.7486 -4.7486 -4.5343 -4.5343 -4.4979 -4.4979 -4.3967 -4.3967 1.9199 1.9199 2.0907 2.0907 2.1196 2.1196 2.2014 2.2014 2.6160 2.6160 2.6629 2.6629 3.5246 3.5246 3.7388 3.7388 3.8552 3.8552 3.9034 3.9034 4.1859 4.1859 4.2814 4.2814 10.4795 10.4795 10.6051 10.6051 11.3508 11.3508 11.7730 11.7730 11.8813 11.8813 k = 0.0000 0.0278 0.3046 ( 5716 PWs) bands (ev): -20.1191 -20.1191 -19.9609 -19.9609 -16.0042 -16.0042 -15.9677 -15.9677 -8.2462 -8.2462 -7.8524 -7.8524 -6.6157 -6.6157 -6.4517 -6.4517 -4.7476 -4.7476 -4.5357 -4.5357 -4.4968 -4.4968 -4.3973 -4.3973 1.9215 1.9215 2.0915 2.0915 2.1204 2.1204 2.2018 2.2018 2.6160 2.6160 2.6629 2.6629 3.5228 3.5228 3.7253 3.7253 3.8380 3.8380 3.9298 3.9298 4.1846 4.1846 4.2793 4.2793 10.4876 10.4876 10.6118 10.6118 11.3547 11.3547 11.7714 11.7714 11.8803 11.8803 k = 0.0000 0.0417 0.3046 ( 5712 PWs) bands (ev): -20.1183 -20.1183 -19.9608 -19.9608 -16.0047 -16.0047 -15.9685 -15.9685 -8.2465 -8.2465 -7.8544 -7.8544 -6.6147 -6.6147 -6.4514 -6.4514 -4.7460 -4.7460 -4.5378 -4.5378 -4.4950 -4.4950 -4.3984 -4.3984 1.9242 1.9242 2.0929 2.0929 2.1218 2.1218 2.2024 2.2024 2.6157 2.6157 2.6632 2.6632 3.5198 3.5198 3.7037 3.7037 3.8260 3.8260 3.9563 3.9563 4.1826 4.1826 4.2759 4.2759 10.5010 10.5010 10.6230 10.6230 11.3610 11.3610 11.7688 11.7688 11.8788 11.8788 k = 0.0000 0.0556 0.3046 ( 5704 PWs) bands (ev): -20.1172 -20.1172 -19.9607 -19.9607 -16.0055 -16.0055 -15.9696 -15.9696 -8.2469 -8.2469 -7.8572 -7.8572 -6.6133 -6.6133 -6.4509 -6.4509 -4.7437 -4.7437 -4.5405 -4.5405 -4.4928 -4.4928 -4.3999 -4.3999 1.9278 1.9278 2.0948 2.0948 2.1237 2.1237 2.2032 2.2032 2.6149 2.6149 2.6639 2.6639 3.5158 3.5158 3.6761 3.6761 3.8179 3.8179 3.9821 3.9821 4.1798 4.1798 4.2711 4.2711 10.5197 10.5197 10.6385 10.6385 11.3696 11.3696 11.7651 11.7651 11.8768 11.8768 k = 0.0000 0.0694 0.3046 ( 5700 PWs) bands (ev): -20.1158 -20.1158 -19.9605 -19.9605 -16.0065 -16.0065 -15.9710 -15.9710 -8.2474 -8.2474 -7.8608 -7.8608 -6.6115 -6.6115 -6.4504 -6.4504 -4.7408 -4.7408 -4.5436 -4.5436 -4.4903 -4.4903 -4.4018 -4.4018 1.9324 1.9324 2.0972 2.0972 2.1262 2.1262 2.2042 2.2042 2.6132 2.6132 2.6653 2.6653 3.5106 3.5106 3.6449 3.6449 3.8121 3.8121 4.0064 4.0064 4.1765 4.1765 4.2652 4.2652 10.5436 10.5436 10.6582 10.6582 11.3804 11.3804 11.7603 11.7603 11.8745 11.8745 k = 0.0000 0.0833 0.3046 ( 5708 PWs) bands (ev): -20.1140 -20.1140 -19.9604 -19.9604 -16.0077 -16.0077 -15.9727 -15.9727 -8.2479 -8.2479 -7.8651 -7.8651 -6.6093 -6.6093 -6.4498 -6.4498 -4.7372 -4.7372 -4.5469 -4.5469 -4.4877 -4.4877 -4.4041 -4.4041 1.9379 1.9379 2.1002 2.1002 2.1293 2.1293 2.2054 2.2054 2.6106 2.6106 2.6674 2.6674 3.5045 3.5045 3.6115 3.6115 3.8074 3.8074 4.0287 4.0287 4.1728 4.1728 4.2582 4.2582 10.5725 10.5725 10.6818 10.6818 11.3930 11.3930 11.7546 11.7546 11.8722 11.8722 k = 0.0000 0.0972 0.3046 ( 5704 PWs) bands (ev): -20.1120 -20.1120 -19.9602 -19.9602 -16.0090 -16.0090 -15.9746 -15.9746 -8.2485 -8.2485 -7.8701 -7.8701 -6.6068 -6.6068 -6.4491 -6.4491 -4.7331 -4.7331 -4.5504 -4.5504 -4.4850 -4.4850 -4.4067 -4.4067 1.9442 1.9442 2.1036 2.1036 2.1329 2.1329 2.2069 2.2069 2.6068 2.6068 2.6703 2.6703 3.4973 3.4973 3.5773 3.5773 3.8034 3.8034 4.0482 4.0482 4.1693 4.1693 4.2503 4.2503 10.6063 10.6063 10.7091 10.7091 11.4072 11.4072 11.7479 11.7479 11.8701 11.8701 k = 0.0000 0.1111 0.3046 ( 5720 PWs) bands (ev): -20.1097 -20.1097 -19.9600 -19.9600 -16.0106 -16.0106 -15.9768 -15.9768 -8.2491 -8.2491 -7.8758 -7.8758 -6.6039 -6.6039 -6.4483 -6.4483 -4.7285 -4.7285 -4.5540 -4.5540 -4.4824 -4.4824 -4.4096 -4.4096 1.9512 1.9512 2.1076 2.1076 2.1371 2.1371 2.2085 2.2085 2.6018 2.6018 2.6739 2.6739 3.4889 3.4889 3.5432 3.5432 3.7996 3.7996 4.0641 4.0641 4.1668 4.1668 4.2416 4.2416 10.6448 10.6448 10.7398 10.7398 11.4227 11.4227 11.7405 11.7405 11.8683 11.8683 k = 0.0000 0.1250 0.3046 ( 5718 PWs) bands (ev): -20.1071 -20.1071 -19.9598 -19.9598 -16.0124 -16.0124 -15.9793 -15.9793 -8.2497 -8.2497 -7.8821 -7.8821 -6.6008 -6.6008 -6.4476 -6.4476 -4.7233 -4.7233 -4.5576 -4.5576 -4.4798 -4.4798 -4.4129 -4.4129 1.9589 1.9589 2.1120 2.1120 2.1418 2.1418 2.2103 2.2103 2.5957 2.5957 2.6778 2.6778 3.4782 3.4782 3.5111 3.5111 3.7958 3.7958 4.0749 4.0749 4.1664 4.1664 4.2324 4.2324 10.6877 10.6877 10.7735 10.7735 11.4391 11.4391 11.7327 11.7327 11.8671 11.8671 k = 0.0000 0.1389 0.3046 ( 5710 PWs) bands (ev): -20.1042 -20.1042 -19.9596 -19.9596 -16.0143 -16.0143 -15.9820 -15.9820 -8.2503 -8.2503 -7.8891 -7.8891 -6.5973 -6.5973 -6.4468 -6.4468 -4.7176 -4.7176 -4.5613 -4.5613 -4.4774 -4.4774 -4.4164 -4.4164 1.9671 1.9671 2.1168 2.1168 2.1471 2.1471 2.2123 2.2123 2.5886 2.5886 2.6817 2.6817 3.4601 3.4601 3.4866 3.4866 3.7920 3.7920 4.0794 4.0794 4.1692 4.1692 4.2229 4.2229 10.7348 10.7348 10.8097 10.8097 11.4560 11.4560 11.7249 11.7249 11.8668 11.8668 k = 0.0000 0.1528 0.3046 ( 5712 PWs) bands (ev): -20.1011 -20.1011 -19.9595 -19.9595 -16.0163 -16.0163 -15.9849 -15.9849 -8.2507 -8.2507 -7.8967 -7.8967 -6.5936 -6.5936 -6.4460 -6.4460 -4.7115 -4.7115 -4.5648 -4.5648 -4.4752 -4.4752 -4.4201 -4.4201 1.9758 1.9758 2.1221 2.1221 2.1529 2.1529 2.2145 2.2145 2.5807 2.5807 2.6853 2.6853 3.4324 3.4324 3.4728 3.4728 3.7882 3.7882 4.0777 4.0777 4.1751 4.1751 4.2131 4.2131 10.7857 10.7857 10.8478 10.8478 11.4731 11.4731 11.7176 11.7176 11.8675 11.8675 k = 0.0000 0.1667 0.3046 ( 5706 PWs) bands (ev): -20.0977 -20.0977 -19.9593 -19.9593 -16.0185 -16.0185 -15.9880 -15.9880 -8.2511 -8.2511 -7.9048 -7.9048 -6.5897 -6.5897 -6.4453 -6.4453 -4.7050 -4.7050 -4.5682 -4.5682 -4.4732 -4.4732 -4.4239 -4.4239 1.9848 1.9848 2.1277 2.1277 2.1591 2.1591 2.2168 2.2168 2.5720 2.5720 2.6882 2.6882 3.4024 3.4024 3.4628 3.4628 3.7843 3.7843 4.0711 4.0711 4.1825 4.1825 4.2037 4.2037 10.8401 10.8401 10.8872 10.8872 11.4900 11.4900 11.7114 11.7114 11.8695 11.8695 k = 0.0000 0.1806 0.3046 ( 5706 PWs) bands (ev): -20.0942 -20.0942 -19.9592 -19.9592 -16.0208 -16.0208 -15.9912 -15.9912 -8.2513 -8.2513 -7.9134 -7.9134 -6.5856 -6.5856 -6.4447 -6.4447 -4.6981 -4.6981 -4.5715 -4.5715 -4.4716 -4.4716 -4.4277 -4.4277 1.9941 1.9941 2.1336 2.1336 2.1658 2.1658 2.2192 2.2192 2.5627 2.5627 2.6900 2.6900 3.3735 3.3735 3.4540 3.4540 3.7803 3.7803 4.0609 4.0609 4.1870 4.1870 4.1977 4.1977 10.8974 10.8974 10.9272 10.9272 11.5065 11.5065 11.7071 11.7071 11.8730 11.8730 k = 0.0000 0.1944 0.3046 ( 5704 PWs) bands (ev): -20.0904 -20.0904 -19.9592 -19.9592 -16.0231 -16.0231 -15.9946 -15.9946 -8.2513 -8.2513 -7.9226 -7.9226 -6.5813 -6.5813 -6.4441 -6.4441 -4.6910 -4.6910 -4.5746 -4.5746 -4.4704 -4.4704 -4.4313 -4.4313 2.0036 2.0036 2.1398 2.1398 2.1728 2.1728 2.2218 2.2218 2.5528 2.5528 2.6901 2.6901 3.3469 3.3469 3.4459 3.4459 3.7762 3.7762 4.0482 4.0482 4.1804 4.1804 4.2025 4.2025 10.9561 10.9561 10.9678 10.9678 11.5223 11.5223 11.7055 11.7055 11.8780 11.8780 k = 0.0000 0.2083 0.3046 ( 5706 PWs) bands (ev): -20.0864 -20.0864 -19.9592 -19.9592 -16.0256 -16.0256 -15.9981 -15.9981 -8.2511 -8.2511 -7.9321 -7.9321 -6.5768 -6.5768 -6.4437 -6.4437 -4.6836 -4.6836 -4.5775 -4.5775 -4.4699 -4.4699 -4.4347 -4.4347 2.0132 2.0132 2.1461 2.1461 2.1802 2.1802 2.2244 2.2244 2.5424 2.5424 2.6884 2.6884 3.3231 3.3231 3.4385 3.4385 3.7722 3.7722 4.0338 4.0338 4.1709 4.1709 4.2093 4.2093 11.0024 11.0024 11.0211 11.0211 11.5374 11.5374 11.7075 11.7075 11.8849 11.8849 k = 0.0000 0.2222 0.3046 ( 5690 PWs) bands (ev): -20.0822 -20.0822 -19.9593 -19.9593 -16.0281 -16.0281 -16.0018 -16.0018 -8.2506 -8.2506 -7.9420 -7.9420 -6.5722 -6.5722 -6.4434 -6.4434 -4.6761 -4.6761 -4.5801 -4.5801 -4.4702 -4.4702 -4.4376 -4.4376 2.0229 2.0229 2.1526 2.1526 2.1878 2.1878 2.2271 2.2271 2.5316 2.5316 2.6843 2.6843 3.3027 3.3027 3.4320 3.4320 3.7681 3.7681 4.0182 4.0182 4.1610 4.1610 4.2151 4.2151 11.0384 11.0384 11.0833 11.0833 11.5519 11.5519 11.7139 11.7139 11.8938 11.8938 k = 0.0000 0.2361 0.3046 ( 5700 PWs) bands (ev): -20.0779 -20.0779 -19.9595 -19.9595 -16.0306 -16.0306 -16.0055 -16.0055 -8.2499 -8.2499 -7.9523 -7.9523 -6.5675 -6.5675 -6.4432 -6.4432 -4.6686 -4.6686 -4.5823 -4.5823 -4.4713 -4.4713 -4.4399 -4.4399 2.0326 2.0326 2.1591 2.1591 2.1956 2.1956 2.2299 2.2299 2.5205 2.5205 2.6776 2.6776 3.2860 3.2860 3.4263 3.4263 3.7640 3.7640 4.0018 4.0018 4.1512 4.1512 4.2197 4.2197 11.0703 11.0703 11.1458 11.1458 11.5664 11.5664 11.7254 11.7254 11.9047 11.9047 k = 0.0000 0.2500 0.3046 ( 5708 PWs) bands (ev): -20.0735 -20.0735 -19.9598 -19.9598 -16.0332 -16.0332 -16.0092 -16.0092 -8.2488 -8.2488 -7.9628 -7.9628 -6.5627 -6.5627 -6.4433 -6.4433 -4.6611 -4.6611 -4.5842 -4.5842 -4.4735 -4.4735 -4.4414 -4.4414 2.0422 2.0422 2.1656 2.1656 2.2036 2.2036 2.2327 2.2327 2.5092 2.5092 2.6683 2.6683 3.2732 3.2732 3.4216 3.4216 3.7600 3.7600 3.9847 3.9847 4.1414 4.1414 4.2227 4.2227 11.0980 11.0980 11.2066 11.2066 11.5817 11.5817 11.7423 11.7423 11.9177 11.9177 k = 0.0000 0.2639 0.3046 ( 5702 PWs) bands (ev): -20.0689 -20.0689 -19.9602 -19.9602 -16.0357 -16.0357 -16.0130 -16.0130 -8.2474 -8.2474 -7.9736 -7.9736 -6.5579 -6.5579 -6.4435 -6.4435 -4.6538 -4.6538 -4.5856 -4.5856 -4.4763 -4.4763 -4.4424 -4.4424 2.0518 2.0518 2.1719 2.1719 2.2116 2.2116 2.2356 2.2356 2.4977 2.4977 2.6562 2.6562 3.2644 3.2644 3.4180 3.4180 3.7561 3.7561 3.9673 3.9673 4.1319 4.1319 4.2242 4.2242 11.1211 11.1211 11.2633 11.2633 11.5995 11.5995 11.7645 11.7645 11.9331 11.9331 k = 0.0000 0.2778 0.3046 ( 5700 PWs) bands (ev): -20.0643 -20.0643 -19.9607 -19.9607 -16.0382 -16.0382 -16.0167 -16.0167 -8.2456 -8.2456 -7.9846 -7.9846 -6.5530 -6.5530 -6.4439 -6.4439 -4.6468 -4.6468 -4.5865 -4.5865 -4.4798 -4.4798 -4.4429 -4.4429 2.0612 2.0612 2.1781 2.1781 2.2195 2.2195 2.2386 2.2386 2.4860 2.4860 2.6416 2.6416 3.2594 3.2594 3.4154 3.4154 3.7523 3.7523 3.9498 3.9498 4.1225 4.1225 4.2241 4.2241 11.1397 11.1397 11.3132 11.3132 11.6220 11.6220 11.7916 11.7916 11.9508 11.9508 k = 0.0000 0.2917 0.3046 ( 5696 PWs) bands (ev): -20.0595 -20.0595 -19.9613 -19.9613 -16.0406 -16.0406 -16.0205 -16.0205 -8.2434 -8.2434 -7.9958 -7.9958 -6.5481 -6.5481 -6.4445 -6.4445 -4.6402 -4.6402 -4.5867 -4.5867 -4.4836 -4.4836 -4.4432 -4.4432 2.0706 2.0706 2.1839 2.1839 2.2272 2.2272 2.2418 2.2418 2.4744 2.4744 2.6248 2.6248 3.2579 3.2579 3.4139 3.4139 3.7487 3.7487 3.9324 3.9324 4.1135 4.1135 4.2224 4.2224 11.1542 11.1542 11.3530 11.3530 11.6517 11.6517 11.8223 11.8223 11.9709 11.9709 k = 0.0000 0.3056 0.3046 ( 5692 PWs) bands (ev): -20.0547 -20.0547 -19.9621 -19.9621 -16.0430 -16.0430 -16.0241 -16.0241 -8.2408 -8.2408 -8.0071 -8.0071 -6.5432 -6.5432 -6.4454 -6.4454 -4.6343 -4.6343 -4.5864 -4.5864 -4.4874 -4.4874 -4.4435 -4.4435 2.0798 2.0798 2.1894 2.1894 2.2345 2.2345 2.2454 2.2454 2.4627 2.4627 2.6062 2.6062 3.2596 3.2596 3.4133 3.4133 3.7453 3.7453 3.9151 3.9151 4.1050 4.1050 4.2193 4.2193 11.1654 11.1654 11.3810 11.3810 11.6897 11.6897 11.8555 11.8555 11.9935 11.9935 k = 0.0000 0.3194 0.3046 ( 5696 PWs) bands (ev): -20.0499 -20.0499 -19.9630 -19.9630 -16.0453 -16.0453 -16.0277 -16.0277 -8.2378 -8.2378 -8.0184 -8.0184 -6.5383 -6.5383 -6.4464 -6.4464 -4.6292 -4.6292 -4.5853 -4.5853 -4.4911 -4.4911 -4.4438 -4.4438 2.0889 2.0889 2.1945 2.1945 2.2410 2.2410 2.2498 2.2498 2.4512 2.4512 2.5862 2.5862 3.2641 3.2641 3.4136 3.4136 3.7422 3.7422 3.8983 3.8983 4.0969 4.0969 4.2148 4.2148 11.1739 11.1739 11.3975 11.3975 11.7350 11.7350 11.8898 11.8898 12.0186 12.0186 k = 0.0000 0.3333 0.3046 ( 5688 PWs) bands (ev): -20.0451 -20.0451 -19.9642 -19.9642 -16.0474 -16.0474 -16.0312 -16.0312 -8.2343 -8.2343 -8.0299 -8.0299 -6.5334 -6.5334 -6.4477 -6.4477 -4.6248 -4.6248 -4.5838 -4.5838 -4.4943 -4.4943 -4.4443 -4.4443 2.0979 2.0979 2.1990 2.1990 2.2463 2.2463 2.2555 2.2555 2.4398 2.4398 2.5653 2.5653 3.2709 3.2709 3.4146 3.4146 3.7394 3.7394 3.8819 3.8819 4.0894 4.0894 4.2090 4.2090 11.1806 11.1806 11.4047 11.4047 11.7847 11.7847 11.9241 11.9241 12.0459 12.0459 k = 0.0000 0.3472 0.3046 ( 5694 PWs) bands (ev): -20.0402 -20.0402 -19.9654 -19.9654 -16.0494 -16.0494 -16.0345 -16.0345 -8.2304 -8.2304 -8.0413 -8.0413 -6.5285 -6.5285 -6.4493 -6.4493 -4.6212 -4.6212 -4.5818 -4.5818 -4.4970 -4.4970 -4.4449 -4.4449 2.1067 2.1067 2.2029 2.2029 2.2506 2.2506 2.2620 2.2620 2.4285 2.4285 2.5440 2.5440 3.2796 3.2796 3.4162 3.4162 3.7370 3.7370 3.8661 3.8661 4.0827 4.0827 4.2019 4.2019 11.1862 11.1862 11.4049 11.4049 11.8359 11.8359 11.9572 11.9572 12.0756 12.0756 k = 0.0000 0.3611 0.3046 ( 5690 PWs) bands (ev): -20.0354 -20.0354 -19.9669 -19.9669 -16.0513 -16.0513 -16.0377 -16.0377 -8.2260 -8.2260 -8.0527 -8.0527 -6.5237 -6.5237 -6.4510 -6.4510 -4.6182 -4.6182 -4.5799 -4.5799 -4.4989 -4.4989 -4.4458 -4.4458 2.1153 2.1153 2.2061 2.2061 2.2547 2.2547 2.2689 2.2689 2.4175 2.4175 2.5225 2.5225 3.2897 3.2897 3.4180 3.4180 3.7350 3.7350 3.8510 3.8510 4.0769 4.0769 4.1938 4.1938 11.1912 11.1912 11.4002 11.4002 11.8859 11.8859 11.9884 11.9884 12.1073 12.1073 k = 0.0000 0.3750 0.3046 ( 5702 PWs) bands (ev): -20.0306 -20.0306 -19.9686 -19.9686 -16.0529 -16.0529 -16.0408 -16.0408 -8.2212 -8.2212 -8.0640 -8.0640 -6.5190 -6.5190 -6.4530 -6.4530 -4.6156 -4.6156 -4.5784 -4.5784 -4.4999 -4.4999 -4.4470 -4.4470 2.1238 2.1238 2.2085 2.2085 2.2588 2.2588 2.2759 2.2759 2.4067 2.4067 2.5013 2.5013 3.3009 3.3009 3.4199 3.4199 3.7335 3.7335 3.8366 3.8366 4.0721 4.0721 4.1847 4.1847 11.1961 11.1961 11.3920 11.3920 11.9327 11.9327 12.0172 12.0172 12.1409 12.1409 k = 0.0000 0.3889 0.3046 ( 5696 PWs) bands (ev): -20.0259 -20.0259 -19.9704 -19.9704 -16.0544 -16.0544 -16.0436 -16.0436 -8.2159 -8.2159 -8.0752 -8.0752 -6.5143 -6.5143 -6.4552 -6.4552 -4.6133 -4.6133 -4.5775 -4.5775 -4.4997 -4.4997 -4.4485 -4.4485 2.1322 2.1322 2.2101 2.2101 2.2630 2.2630 2.2829 2.2829 2.3963 2.3963 2.4807 2.4807 3.3128 3.3128 3.4216 3.4216 3.7324 3.7324 3.8231 3.8231 4.0685 4.0685 4.1749 4.1749 11.2013 11.2013 11.3814 11.3814 11.9751 11.9751 12.0430 12.0430 12.1766 12.1766 k = 0.0000 0.4028 0.3046 ( 5694 PWs) bands (ev): -20.0213 -20.0213 -19.9725 -19.9725 -16.0557 -16.0557 -16.0462 -16.0462 -8.2101 -8.2101 -8.0862 -8.0862 -6.5097 -6.5097 -6.4577 -6.4577 -4.6110 -4.6110 -4.5775 -4.5775 -4.4984 -4.4984 -4.4504 -4.4504 2.1404 2.1404 2.2109 2.2109 2.2676 2.2676 2.2898 2.2898 2.3863 2.3863 2.4610 2.4610 3.3252 3.3252 3.4228 3.4228 3.7320 3.7320 3.8105 3.8105 4.0662 4.0662 4.1644 4.1644 11.2071 11.2071 11.3691 11.3691 12.0124 12.0124 12.0656 12.0656 12.2141 12.2141 k = 0.0000 0.4167 0.3046 ( 5698 PWs) bands (ev): -20.0168 -20.0168 -19.9747 -19.9747 -16.0567 -16.0567 -16.0486 -16.0486 -8.2038 -8.2038 -8.0971 -8.0971 -6.5052 -6.5052 -6.4603 -6.4603 -4.6088 -4.6088 -4.5782 -4.5782 -4.4961 -4.4961 -4.4526 -4.4526 2.1484 2.1484 2.2107 2.2107 2.2725 2.2725 2.2965 2.2965 2.3768 2.3768 2.4424 2.4424 3.3377 3.3377 3.4233 3.4233 3.7322 3.7322 3.7988 3.7988 4.0653 4.0653 4.1536 4.1536 11.2136 11.2136 11.3557 11.3557 12.0442 12.0442 12.0848 12.0848 12.2535 12.2535 k = 0.0000 0.4306 0.3046 ( 5702 PWs) bands (ev): -20.0124 -20.0124 -19.9772 -19.9772 -16.0575 -16.0575 -16.0507 -16.0507 -8.1971 -8.1971 -8.1078 -8.1078 -6.5007 -6.5007 -6.4632 -6.4632 -4.6065 -4.6065 -4.5798 -4.5798 -4.4930 -4.4930 -4.4551 -4.4551 2.1562 2.1562 2.2096 2.2096 2.2778 2.2778 2.3029 2.3029 2.3681 2.3681 2.4250 2.4250 3.3500 3.3500 3.4228 3.4228 3.7331 3.7331 3.7881 3.7881 4.0660 4.0660 4.1425 4.1425 11.2209 11.2209 11.3416 11.3416 12.0705 12.0705 12.1006 12.1006 12.2948 12.2948 k = 0.0000 0.4444 0.3046 ( 5698 PWs) bands (ev): -20.0081 -20.0081 -19.9798 -19.9798 -16.0581 -16.0581 -16.0526 -16.0526 -8.1899 -8.1899 -8.1182 -8.1182 -6.4964 -6.4964 -6.4662 -6.4662 -4.6040 -4.6040 -4.5819 -4.5819 -4.4893 -4.4893 -4.4580 -4.4580 2.1638 2.1638 2.2075 2.2075 2.2834 2.2834 2.3087 2.3087 2.3604 2.3604 2.4091 2.4091 3.3619 3.3619 3.4212 3.4212 3.7346 3.7346 3.7784 3.7784 4.0681 4.0681 4.1314 4.1314 11.2293 11.2293 11.3273 11.3273 12.0916 12.0916 12.1130 12.1130 12.3380 12.3380 k = 0.0000 0.4583 0.3046 ( 5690 PWs) bands (ev): -20.0039 -20.0039 -19.9827 -19.9827 -16.0583 -16.0583 -16.0543 -16.0543 -8.1823 -8.1823 -8.1284 -8.1284 -6.4921 -6.4921 -6.4694 -6.4694 -4.6015 -4.6015 -4.5844 -4.5844 -4.4853 -4.4853 -4.4612 -4.4612 2.1712 2.1712 2.2046 2.2046 2.2894 2.2894 2.3131 2.3131 2.3548 2.3548 2.3947 2.3947 3.3732 3.3732 3.4183 3.4183 3.7370 3.7370 3.7696 3.7696 4.0718 4.0718 4.1205 4.1205 11.2386 11.2386 11.3129 11.3129 12.1077 12.1077 12.1222 12.1222 12.3831 12.3831 k = 0.0000 0.4722 0.3046 ( 5684 PWs) bands (ev): -19.9999 -19.9999 -19.9858 -19.9858 -16.0583 -16.0583 -16.0556 -16.0556 -8.1743 -8.1743 -8.1382 -8.1382 -6.4880 -6.4880 -6.4729 -6.4729 -4.5987 -4.5987 -4.5872 -4.5872 -4.4810 -4.4810 -4.4647 -4.4647 2.1781 2.1781 2.2007 2.2007 2.2956 2.2956 2.3147 2.3147 2.3528 2.3528 2.3819 2.3819 3.3837 3.3837 3.4141 3.4141 3.7402 3.7402 3.7619 3.7619 4.0770 4.0770 4.1100 4.1100 11.2489 11.2489 11.2989 11.2989 12.1193 12.1193 12.1282 12.1282 12.4299 12.4299 k = 0.0000 0.4861 0.3046 ( 5694 PWs) bands (ev): -19.9961 -19.9961 -19.9890 -19.9890 -16.0581 -16.0581 -16.0567 -16.0567 -8.1658 -8.1658 -8.1478 -8.1478 -6.4840 -6.4840 -6.4764 -6.4764 -4.5959 -4.5959 -4.5901 -4.5901 -4.4768 -4.4768 -4.4685 -4.4685 2.1847 2.1847 2.1961 2.1961 2.3019 2.3019 2.3126 2.3126 2.3554 2.3554 2.3709 2.3709 3.3931 3.3931 3.4084 3.4084 3.7442 3.7442 3.7550 3.7550 4.0835 4.0835 4.1003 4.1003 11.2602 11.2602 11.2853 11.2853 12.1269 12.1269 12.1311 12.1311 12.4783 12.4783 k = 0.0000 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0576 -16.0576 -16.0576 -16.0576 -8.1570 -8.1570 -8.1570 -8.1570 -6.4801 -6.4801 -6.4801 -6.4801 -4.5930 -4.5930 -4.5930 -4.5930 -4.4726 -4.4726 -4.4726 -4.4726 2.1907 2.1907 2.1907 2.1907 2.3079 2.3079 2.3079 2.3079 2.3618 2.3618 2.3618 2.3618 3.4014 3.4014 3.4014 3.4014 3.7492 3.7492 3.7492 3.7492 4.0914 4.0914 4.0914 4.0914 11.2723 11.2723 11.2723 11.2723 12.1307 12.1307 12.1307 12.1307 12.5281 12.5281 k = 0.0000 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0576 -16.0576 -16.0576 -16.0576 -8.1570 -8.1570 -8.1570 -8.1570 -6.4801 -6.4801 -6.4801 -6.4801 -4.5930 -4.5930 -4.5930 -4.5930 -4.4726 -4.4726 -4.4726 -4.4726 2.1907 2.1907 2.1907 2.1907 2.3079 2.3079 2.3079 2.3079 2.3618 2.3618 2.3618 2.3618 3.4014 3.4014 3.4014 3.4014 3.7492 3.7492 3.7492 3.7492 4.0914 4.0914 4.0914 4.0914 11.2723 11.2723 11.2723 11.2723 12.1307 12.1307 12.1307 12.1307 12.5281 12.5281 k = 0.0139 0.5000 0.3046 ( 5676 PWs) bands (ev): -19.9924 -19.9924 -19.9924 -19.9924 -16.0578 -16.0578 -16.0576 -16.0576 -8.1570 -8.1570 -8.1565 -8.1565 -6.4845 -6.4845 -6.4763 -6.4763 -4.5964 -4.5964 -4.5911 -4.5911 -4.4761 -4.4761 -4.4687 -4.4687 2.1892 2.1892 2.1917 2.1917 2.2851 2.2851 2.3125 2.3125 2.3569 2.3569 2.3870 2.3870 3.3988 3.3988 3.4048 3.4048 3.7478 3.7478 3.7508 3.7508 4.0900 4.0900 4.0918 4.0918 11.2717 11.2717 11.2747 11.2747 12.1304 12.1304 12.1344 12.1344 12.5264 12.5264 k = 0.0278 0.5000 0.3046 ( 5684 PWs) bands (ev): -19.9921 -19.9921 -19.9921 -19.9921 -16.0583 -16.0583 -16.0579 -16.0579 -8.1564 -8.1564 -8.1554 -8.1554 -6.4893 -6.4893 -6.4730 -6.4730 -4.6011 -4.6011 -4.5907 -4.5907 -4.4793 -4.4793 -4.4646 -4.4646 2.1863 2.1863 2.1920 2.1920 2.2618 2.2618 2.2927 2.2927 2.3786 2.3786 2.4157 2.4157 3.3968 3.3968 3.4088 3.4088 3.7466 3.7466 3.7528 3.7528 4.0878 4.0878 4.0913 4.0913 11.2729 11.2729 11.2789 11.2789 12.1333 12.1333 12.1415 12.1415 12.5236 12.5236 k = 0.0417 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9917 -19.9917 -19.9917 -19.9917 -16.0591 -16.0591 -16.0584 -16.0584 -8.1552 -8.1552 -8.1538 -8.1538 -6.4946 -6.4946 -6.4703 -6.4703 -4.6071 -4.6071 -4.5917 -4.5917 -4.4823 -4.4823 -4.4603 -4.4603 2.1796 2.1796 2.1900 2.1900 2.2431 2.2431 2.2715 2.2715 2.4056 2.4056 2.4451 2.4451 3.3955 3.3955 3.4134 3.4134 3.7458 3.7458 3.7551 3.7551 4.0847 4.0847 4.0900 4.0900 11.2759 11.2759 11.2849 11.2849 12.1395 12.1395 12.1520 12.1520 12.5198 12.5198 k = 0.0556 0.5000 0.3046 ( 5684 PWs) bands (ev): -19.9911 -19.9911 -19.9911 -19.9911 -16.0601 -16.0601 -16.0592 -16.0592 -8.1535 -8.1535 -8.1517 -8.1517 -6.5003 -6.5003 -6.4682 -6.4682 -4.6142 -4.6142 -4.5941 -4.5941 -4.4852 -4.4852 -4.4560 -4.4560 2.1659 2.1659 2.1827 2.1827 2.2330 2.2330 2.2564 2.2564 2.4333 2.4333 2.4745 2.4745 3.3948 3.3948 3.4185 3.4185 3.7452 3.7452 3.7579 3.7579 4.0807 4.0807 4.0879 4.0879 11.2807 11.2807 11.2926 11.2926 12.1487 12.1487 12.1659 12.1659 12.5150 12.5150 k = 0.0694 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9903 -19.9903 -19.9903 -19.9903 -16.0613 -16.0613 -16.0603 -16.0603 -8.1513 -8.1513 -8.1490 -8.1490 -6.5063 -6.5063 -6.4668 -6.4668 -4.6221 -4.6221 -4.5977 -4.5977 -4.4881 -4.4881 -4.4517 -4.4517 2.1460 2.1460 2.1680 2.1680 2.2311 2.2311 2.2505 2.2505 2.4606 2.4606 2.5034 2.5034 3.3946 3.3946 3.4238 3.4238 3.7451 3.7451 3.7612 3.7612 4.0759 4.0759 4.0851 4.0851 11.2874 11.2874 11.3021 11.3021 12.1607 12.1607 12.1831 12.1831 12.5091 12.5091 k = 0.0833 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9893 -19.9893 -19.9893 -19.9893 -16.0628 -16.0628 -16.0616 -16.0616 -8.1486 -8.1486 -8.1458 -8.1458 -6.5127 -6.5127 -6.4660 -6.4660 -4.6308 -4.6308 -4.6023 -4.6023 -4.4911 -4.4911 -4.4477 -4.4477 2.1232 2.1232 2.1477 2.1477 2.2343 2.2343 2.2521 2.2521 2.4873 2.4873 2.5314 2.5314 3.3947 3.3947 3.4292 3.4292 3.7455 3.7455 3.7653 3.7653 4.0703 4.0703 4.0816 4.0816 11.2959 11.2959 11.3134 11.3134 12.1752 12.1752 12.2036 12.2036 12.5024 12.5024 k = 0.0972 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9882 -19.9882 -19.9882 -19.9882 -16.0646 -16.0646 -16.0632 -16.0632 -8.1453 -8.1453 -8.1421 -8.1421 -6.5193 -6.5193 -6.4658 -6.4658 -4.6400 -4.6400 -4.6080 -4.6080 -4.4943 -4.4943 -4.4441 -4.4441 2.0996 2.0996 2.1250 2.1250 2.2407 2.2407 2.2584 2.2584 2.5129 2.5129 2.5584 2.5584 3.3950 3.3950 3.4344 3.4344 3.7466 3.7466 3.7703 3.7703 4.0640 4.0640 4.0776 4.0776 11.3062 11.3062 11.3264 11.3264 12.1919 12.1919 12.2273 12.2273 12.4948 12.4948 k = 0.1111 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9870 -19.9870 -19.9870 -19.9870 -16.0665 -16.0665 -16.0649 -16.0649 -8.1416 -8.1416 -8.1380 -8.1380 -6.5261 -6.5261 -6.4664 -6.4664 -4.6495 -4.6495 -4.6144 -4.6144 -4.4978 -4.4978 -4.4410 -4.4410 2.0764 2.0764 2.1018 2.1018 2.2492 2.2492 2.2675 2.2675 2.5373 2.5373 2.5842 2.5842 3.3952 3.3952 3.4391 3.4391 3.7485 3.7485 3.7764 3.7764 4.0572 4.0572 4.0732 4.0732 11.3184 11.3184 11.3412 11.3412 12.2102 12.2102 12.2537 12.2537 12.4867 12.4867 k = 0.1250 0.5000 0.3046 ( 5700 PWs) bands (ev): -19.9856 -19.9856 -19.9856 -19.9856 -16.0687 -16.0687 -16.0669 -16.0669 -8.1374 -8.1374 -8.1334 -8.1334 -6.5330 -6.5330 -6.4676 -6.4676 -4.6592 -4.6592 -4.6216 -4.6216 -4.5016 -4.5016 -4.4384 -4.4384 2.0540 2.0540 2.0791 2.0791 2.2594 2.2594 2.2787 2.2787 2.5603 2.5603 2.6085 2.6085 3.3951 3.3951 3.4430 3.4430 3.7513 3.7513 3.7838 3.7838 4.0499 4.0499 4.0686 4.0686 11.3324 11.3324 11.3578 11.3578 12.2294 12.2294 12.2827 12.2827 12.4785 12.4785 k = 0.1389 0.5000 0.3046 ( 5696 PWs) bands (ev): -19.9841 -19.9841 -19.9841 -19.9841 -16.0710 -16.0710 -16.0691 -16.0691 -8.1328 -8.1328 -8.1284 -8.1284 -6.5401 -6.5401 -6.4695 -6.4695 -4.6689 -4.6689 -4.6294 -4.6294 -4.5058 -4.5058 -4.4366 -4.4366 2.0327 2.0327 2.0572 2.0572 2.2712 2.2712 2.2914 2.2914 2.5819 2.5819 2.6312 2.6312 3.3944 3.3944 3.4457 3.4457 3.7553 3.7553 3.7926 3.7926 4.0422 4.0422 4.0637 4.0637 11.3482 11.3482 11.3760 11.3760 12.2488 12.2488 12.3134 12.3134 12.4707 12.4707 k = 0.1528 0.5000 0.3046 ( 5696 PWs) bands (ev): -19.9824 -19.9824 -19.9824 -19.9824 -16.0735 -16.0735 -16.0715 -16.0715 -8.1277 -8.1277 -8.1230 -8.1230 -6.5472 -6.5472 -6.4721 -6.4721 -4.6786 -4.6786 -4.6376 -4.6376 -4.5104 -4.5104 -4.4355 -4.4355 2.0128 2.0128 2.0365 2.0365 2.2842 2.2842 2.3056 2.3056 2.6019 2.6019 2.6522 2.6522 3.3929 3.3929 3.4470 3.4470 3.7605 3.7605 3.8029 3.8029 4.0344 4.0344 4.0588 4.0588 11.3658 11.3658 11.3960 11.3960 12.2671 12.2671 12.3443 12.3443 12.4648 12.4648 k = 0.1667 0.5000 0.3046 ( 5696 PWs) bands (ev): -19.9807 -19.9807 -19.9807 -19.9807 -16.0761 -16.0761 -16.0740 -16.0740 -8.1222 -8.1222 -8.1173 -8.1173 -6.5544 -6.5544 -6.4753 -6.4753 -4.6881 -4.6881 -4.6463 -4.6463 -4.5153 -4.5153 -4.4351 -4.4351 1.9943 1.9943 2.0172 2.0172 2.2986 2.2986 2.3209 2.3209 2.6202 2.6202 2.6715 2.6715 3.3903 3.3903 3.4467 3.4467 3.7671 3.7671 3.8148 3.8148 4.0266 4.0266 4.0541 4.0541 11.3851 11.3851 11.4175 11.4175 12.2833 12.2833 12.3715 12.3715 12.4645 12.4645 k = 0.1806 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9789 -19.9789 -19.9789 -19.9789 -16.0789 -16.0789 -16.0766 -16.0766 -8.1164 -8.1164 -8.1112 -8.1112 -6.5615 -6.5615 -6.4792 -6.4792 -4.6974 -4.6974 -4.6553 -4.6553 -4.5206 -4.5206 -4.4356 -4.4356 1.9774 1.9774 1.9992 1.9992 2.3140 2.3140 2.3372 2.3372 2.6370 2.6370 2.6889 2.6889 3.3864 3.3864 3.4444 3.4444 3.7750 3.7750 3.8281 3.8281 4.0189 4.0189 4.0496 4.0496 11.4061 11.4061 11.4406 11.4406 12.2964 12.2964 12.3879 12.3879 12.4767 12.4767 k = 0.1944 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9770 -19.9770 -19.9769 -19.9769 -16.0818 -16.0818 -16.0794 -16.0794 -8.1103 -8.1103 -8.1048 -8.1048 -6.5686 -6.5686 -6.4836 -6.4836 -4.7064 -4.7064 -4.6645 -4.6645 -4.5263 -4.5263 -4.4370 -4.4370 1.9620 1.9620 1.9827 1.9827 2.3304 2.3304 2.3544 2.3544 2.6521 2.6521 2.7045 2.7045 3.3810 3.3810 3.4402 3.4402 3.7842 3.7842 3.8427 3.8427 4.0115 4.0115 4.0455 4.0455 11.4287 11.4287 11.4651 11.4651 12.3059 12.3059 12.3908 12.3908 12.5035 12.5035 k = 0.2083 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9750 -19.9750 -19.9750 -19.9750 -16.0847 -16.0847 -16.0823 -16.0823 -8.1039 -8.1039 -8.0982 -8.0982 -6.5755 -6.5755 -6.4887 -6.4887 -4.7150 -4.7150 -4.6739 -4.6739 -4.5323 -4.5323 -4.4392 -4.4392 1.9482 1.9482 1.9678 1.9678 2.3477 2.3477 2.3725 2.3725 2.6657 2.6657 2.7184 2.7184 3.3741 3.3741 3.4340 3.4340 3.7946 3.7946 3.8584 3.8584 4.0047 4.0047 4.0421 4.0421 11.4528 11.4528 11.4911 11.4911 12.3119 12.3119 12.3861 12.3861 12.5386 12.5386 k = 0.2222 0.5000 0.3046 ( 5692 PWs) bands (ev): -19.9730 -19.9730 -19.9729 -19.9729 -16.0878 -16.0878 -16.0853 -16.0853 -8.0973 -8.0973 -8.0914 -8.0914 -6.5823 -6.5823 -6.4943 -6.4943 -4.7232 -4.7232 -4.6833 -4.6833 -4.5385 -4.5385 -4.4422 -4.4422 1.9359 1.9359 1.9544 1.9544 2.3658 2.3658 2.3912 2.3912 2.6777 2.6777 2.7304 2.7304 3.3657 3.3657 3.4259 3.4259 3.8059 3.8059 3.8746 3.8746 3.9988 3.9988 4.0393 4.0393 11.4783 11.4783 11.5182 11.5182 12.3149 12.3149 12.3784 12.3784 12.5763 12.5763 k = 0.2361 0.5000 0.3046 ( 5684 PWs) bands (ev): -19.9709 -19.9709 -19.9709 -19.9709 -16.0908 -16.0908 -16.0884 -16.0884 -8.0905 -8.0905 -8.0845 -8.0845 -6.5889 -6.5889 -6.5003 -6.5003 -4.7308 -4.7308 -4.6927 -4.6927 -4.5449 -4.5449 -4.4460 -4.4460 1.9253 1.9253 1.9425 1.9425 2.3845 2.3845 2.4104 2.4104 2.6882 2.6882 2.7408 2.7408 3.3558 3.3558 3.4159 3.4159 3.8180 3.8180 3.8909 3.8909 3.9941 3.9941 4.0375 4.0375 11.5051 11.5051 11.5465 11.5465 12.3157 12.3157 12.3696 12.3696 12.6133 12.6133 k = 0.2500 0.5000 0.3046 ( 5676 PWs) bands (ev): -19.9688 -19.9688 -19.9688 -19.9688 -16.0939 -16.0939 -16.0914 -16.0914 -8.0835 -8.0835 -8.0774 -8.0774 -6.5952 -6.5952 -6.5069 -6.5069 -4.7380 -4.7380 -4.7020 -4.7020 -4.5515 -4.5515 -4.4506 -4.4506 1.9162 1.9162 1.9322 1.9322 2.4039 2.4039 2.4302 2.4302 2.6973 2.6973 2.7495 2.7495 3.3445 3.3445 3.4041 3.4041 3.8304 3.8304 3.9064 3.9064 3.9912 3.9912 4.0366 4.0366 11.5331 11.5331 11.5758 11.5758 12.3148 12.3148 12.3607 12.3607 12.6435 12.6435 k = 0.2639 0.5000 0.3046 ( 5668 PWs) bands (ev): -19.9667 -19.9667 -19.9667 -19.9667 -16.0970 -16.0970 -16.0945 -16.0945 -8.0764 -8.0764 -8.0703 -8.0703 -6.6012 -6.6012 -6.5138 -6.5138 -4.7447 -4.7447 -4.7112 -4.7112 -4.5581 -4.5581 -4.4560 -4.4560 1.9085 1.9085 1.9233 1.9233 2.4236 2.4236 2.4502 2.4502 2.7050 2.7050 2.7567 2.7567 3.3320 3.3320 3.3908 3.3908 3.8428 3.8428 3.9199 3.9199 3.9912 3.9912 4.0369 4.0369 11.5622 11.5622 11.6059 11.6059 12.3129 12.3129 12.3518 12.3518 12.6598 12.6598 k = 0.2778 0.5000 0.3046 ( 5660 PWs) bands (ev): -19.9647 -19.9647 -19.9646 -19.9646 -16.1000 -16.1000 -16.0976 -16.0976 -8.0693 -8.0693 -8.0632 -8.0632 -6.6070 -6.6070 -6.5210 -6.5210 -4.7508 -4.7508 -4.7201 -4.7201 -4.5646 -4.5646 -4.4620 -4.4620 1.9023 1.9023 1.9158 1.9158 2.4437 2.4437 2.4705 2.4705 2.7115 2.7115 2.7625 2.7625 3.3185 3.3185 3.3761 3.3761 3.8549 3.8549 3.9300 3.9300 3.9952 3.9952 4.0385 4.0385 11.5921 11.5921 11.6367 11.6367 12.3102 12.3102 12.3433 12.3433 12.6732 12.6732 k = 0.2917 0.5000 0.3046 ( 5668 PWs) bands (ev): -19.9626 -19.9626 -19.9626 -19.9626 -16.1030 -16.1030 -16.1007 -16.1007 -8.0622 -8.0622 -8.0561 -8.0561 -6.6123 -6.6123 -6.5285 -6.5285 -4.7564 -4.7564 -4.7286 -4.7286 -4.5711 -4.5711 -4.4687 -4.4687 1.8974 1.8974 1.9097 1.9097 2.4639 2.4639 2.4908 2.4908 2.7169 2.7169 2.7669 2.7669 3.3041 3.3041 3.3603 3.3603 3.8663 3.8663 3.9360 3.9360 4.0036 4.0036 4.0414 4.0414 11.6228 11.6228 11.6680 11.6680 12.3071 12.3071 12.3351 12.3351 12.6839 12.6839 k = 0.3056 0.5000 0.3046 ( 5668 PWs) bands (ev): -19.9606 -19.9606 -19.9606 -19.9606 -16.1060 -16.1060 -16.1037 -16.1037 -8.0552 -8.0552 -8.0492 -8.0492 -6.6173 -6.6173 -6.5363 -6.5363 -4.7615 -4.7615 -4.7369 -4.7369 -4.5772 -4.5772 -4.4759 -4.4759 1.8938 1.8938 1.9048 1.9048 2.4842 2.4842 2.5111 2.5111 2.7211 2.7211 2.7700 2.7700 3.2892 3.2892 3.3435 3.3435 3.8769 3.8769 3.9386 3.9386 4.0155 4.0155 4.0456 4.0456 11.6542 11.6542 11.6996 11.6996 12.3035 12.3035 12.3271 12.3271 12.6925 12.6925 k = 0.3194 0.5000 0.3046 ( 5672 PWs) bands (ev): -19.9587 -19.9587 -19.9587 -19.9587 -16.1088 -16.1088 -16.1066 -16.1066 -8.0482 -8.0482 -8.0425 -8.0425 -6.6219 -6.6219 -6.5442 -6.5442 -4.7661 -4.7661 -4.7447 -4.7447 -4.5831 -4.5831 -4.4836 -4.4836 1.8913 1.8913 1.9011 1.9011 2.5044 2.5044 2.5312 2.5312 2.7244 2.7244 2.7721 2.7721 3.2739 3.2739 3.3260 3.3260 3.8865 3.8865 3.9393 3.9393 4.0292 4.0292 4.0510 4.0510 11.6860 11.6860 11.7314 11.7314 12.2994 12.2994 12.3192 12.3192 12.6996 12.6996 k = 0.3333 0.5000 0.3046 ( 5664 PWs) bands (ev): -19.9568 -19.9568 -19.9568 -19.9568 -16.1115 -16.1115 -16.1094 -16.1094 -8.0415 -8.0415 -8.0359 -8.0359 -6.6259 -6.6259 -6.5521 -6.5521 -4.7702 -4.7702 -4.7520 -4.7520 -4.5885 -4.5885 -4.4917 -4.4917 1.8898 1.8898 1.8984 1.8984 2.5243 2.5243 2.5510 2.5510 2.7267 2.7267 2.7731 2.7731 3.2584 3.2584 3.3082 3.3082 3.8950 3.8950 3.9391 3.9391 4.0433 4.0433 4.0575 4.0575 11.7182 11.7182 11.7632 11.7632 12.2945 12.2945 12.3111 12.3111 12.7061 12.7061 k = 0.3472 0.5000 0.3046 ( 5664 PWs) bands (ev): -19.9550 -19.9550 -19.9550 -19.9550 -16.1141 -16.1141 -16.1121 -16.1121 -8.0350 -8.0350 -8.0297 -8.0297 -6.6295 -6.6295 -6.5601 -6.5601 -4.7739 -4.7739 -4.7588 -4.7588 -4.5934 -4.5934 -4.5002 -4.5002 1.8892 1.8892 1.8967 1.8967 2.5438 2.5438 2.5703 2.5703 2.7282 2.7282 2.7731 2.7731 3.2431 3.2431 3.2901 3.2901 3.9023 3.9023 3.9386 3.9386 4.0572 4.0572 4.0649 4.0649 11.7505 11.7505 11.7949 11.7949 12.2887 12.2887 12.3025 12.3025 12.7126 12.7126 k = 0.3611 0.5000 0.3046 ( 5672 PWs) bands (ev): -19.9534 -19.9534 -19.9533 -19.9533 -16.1165 -16.1165 -16.1146 -16.1146 -8.0288 -8.0288 -8.0238 -8.0238 -6.6326 -6.6326 -6.5680 -6.5680 -4.7773 -4.7773 -4.7651 -4.7651 -4.5976 -4.5976 -4.5090 -4.5090 1.8893 1.8893 1.8958 1.8958 2.5628 2.5628 2.5891 2.5891 2.7290 2.7290 2.7723 2.7723 3.2281 3.2281 3.2721 3.2721 3.9086 3.9086 3.9382 3.9382 4.0704 4.0704 4.0728 4.0728 11.7830 11.7830 11.8263 11.8263 12.2816 12.2816 12.2932 12.2932 12.7196 12.7196 k = 0.3750 0.5000 0.3046 ( 5668 PWs) bands (ev): -19.9518 -19.9518 -19.9518 -19.9518 -16.1187 -16.1187 -16.1170 -16.1170 -8.0230 -8.0230 -8.0183 -8.0183 -6.6351 -6.6351 -6.5757 -6.5757 -4.7802 -4.7802 -4.7707 -4.7707 -4.6010 -4.6010 -4.5178 -4.5178 1.8900 1.8900 1.8955 1.8955 2.5810 2.5810 2.6071 2.6071 2.7291 2.7291 2.7709 2.7709 3.2138 3.2138 3.2544 3.2544 3.9140 3.9140 3.9378 3.9378 4.0810 4.0810 4.0825 4.0825 11.8154 11.8154 11.8573 11.8573 12.2730 12.2730 12.2829 12.2829 12.7274 12.7274 k = 0.3889 0.5000 0.3046 ( 5656 PWs) bands (ev): -19.9504 -19.9504 -19.9504 -19.9504 -16.1208 -16.1208 -16.1192 -16.1192 -8.0175 -8.0175 -8.0133 -8.0133 -6.6370 -6.6370 -6.5833 -6.5833 -4.7829 -4.7829 -4.7757 -4.7757 -4.6036 -4.6036 -4.5268 -4.5268 1.8912 1.8912 1.8958 1.8958 2.5984 2.5984 2.6242 2.6242 2.7287 2.7287 2.7687 2.7687 3.2003 3.2003 3.2373 3.2373 3.9187 3.9187 3.9376 3.9376 4.0893 4.0893 4.0935 4.0935 11.8477 11.8477 11.8878 11.8878 12.2625 12.2625 12.2714 12.2714 12.7363 12.7363 k = 0.4028 0.5000 0.3046 ( 5664 PWs) bands (ev): -19.9491 -19.9491 -19.9491 -19.9491 -16.1226 -16.1226 -16.1212 -16.1212 -8.0125 -8.0125 -8.0087 -8.0087 -6.6383 -6.6383 -6.5906 -6.5906 -4.7852 -4.7852 -4.7801 -4.7801 -4.6053 -4.6053 -4.5357 -4.5357 1.8926 1.8926 1.8965 1.8965 2.6147 2.6147 2.6403 2.6403 2.7279 2.7279 2.7660 2.7660 3.1879 3.1879 3.2210 3.2210 3.9226 3.9226 3.9375 3.9375 4.0972 4.0972 4.1031 4.1031 11.8797 11.8797 11.9177 11.9177 12.2500 12.2500 12.2585 12.2585 12.7462 12.7462 k = 0.4167 0.5000 0.3046 ( 5652 PWs) bands (ev): -19.9479 -19.9479 -19.9479 -19.9479 -16.1242 -16.1242 -16.1229 -16.1229 -8.0081 -8.0081 -8.0047 -8.0047 -6.6390 -6.6390 -6.5975 -6.5975 -4.7873 -4.7873 -4.7839 -4.7839 -4.6060 -4.6060 -4.5445 -4.5445 1.8943 1.8943 1.8974 1.8974 2.6299 2.6299 2.6551 2.6551 2.7267 2.7267 2.7629 2.7629 3.1768 3.1768 3.2058 3.2058 3.9259 3.9259 3.9375 3.9375 4.1047 4.1047 4.1113 4.1113 11.9113 11.9113 11.9469 11.9469 12.2355 12.2355 12.2440 12.2440 12.7569 12.7569 k = 0.4306 0.5000 0.3046 ( 5656 PWs) bands (ev): -19.9470 -19.9470 -19.9469 -19.9469 -16.1255 -16.1255 -16.1245 -16.1245 -8.0042 -8.0042 -8.0013 -8.0013 -6.6390 -6.6390 -6.6041 -6.6041 -4.7892 -4.7892 -4.7870 -4.7870 -4.6056 -4.6056 -4.5531 -4.5531 1.8960 1.8960 1.8984 1.8984 2.6438 2.6438 2.6683 2.6683 2.7254 2.7254 2.7593 2.7593 3.1673 3.1673 3.1919 3.1919 3.9287 3.9287 3.9375 3.9375 4.1115 4.1115 4.1181 4.1181 11.9423 11.9423 11.9752 11.9752 12.2190 12.2190 12.2281 12.2281 12.7680 12.7680 k = 0.4444 0.5000 0.3046 ( 5652 PWs) bands (ev): -19.9461 -19.9461 -19.9461 -19.9461 -16.1266 -16.1266 -16.1258 -16.1258 -8.0009 -8.0009 -7.9985 -7.9985 -6.6384 -6.6384 -6.6102 -6.6102 -4.7907 -4.7907 -4.7895 -4.7895 -4.6043 -4.6043 -4.5613 -4.5613 1.8976 1.8976 1.8994 1.8994 2.6562 2.6562 2.6795 2.6795 2.7244 2.7244 2.7553 2.7553 3.1597 3.1597 3.1797 3.1797 3.9310 3.9310 3.9376 3.9376 4.1174 4.1174 4.1235 4.1235 11.9726 11.9726 12.0023 12.0023 12.2009 12.2009 12.2108 12.2108 12.7792 12.7792 k = 0.4583 0.5000 0.3046 ( 5652 PWs) bands (ev): -19.9455 -19.9455 -19.9455 -19.9455 -16.1275 -16.1275 -16.1268 -16.1268 -7.9982 -7.9982 -7.9964 -7.9964 -6.6371 -6.6371 -6.6158 -6.6158 -4.7920 -4.7920 -4.7914 -4.7914 -4.6019 -4.6019 -4.5692 -4.5692 1.8990 1.8990 1.9003 1.9003 2.6671 2.6671 2.6878 2.6878 2.7243 2.7243 2.7508 2.7508 3.1541 3.1541 3.1693 3.1693 3.9329 3.9329 3.9375 3.9375 4.1224 4.1224 4.1274 4.1274 12.0016 12.0016 12.0278 12.0278 12.1816 12.1816 12.1925 12.1925 12.7896 12.7896 k = 0.4722 0.5000 0.3046 ( 5652 PWs) bands (ev): -19.9450 -19.9450 -19.9450 -19.9450 -16.1280 -16.1280 -16.1276 -16.1276 -7.9961 -7.9961 -7.9950 -7.9950 -6.6351 -6.6351 -6.6209 -6.6209 -4.7930 -4.7930 -4.7927 -4.7927 -4.5986 -4.5986 -4.5765 -4.5765 1.9001 1.9001 1.9010 1.9010 2.6763 2.6763 2.6923 2.6923 2.7261 2.7261 2.7460 2.7460 3.1507 3.1507 3.1609 3.1609 3.9344 3.9344 3.9374 3.9374 4.1264 4.1264 4.1299 4.1299 12.0287 12.0287 12.0502 12.0502 12.1627 12.1627 12.1738 12.1738 12.7987 12.7987 k = 0.4861 0.5000 0.3046 ( 5660 PWs) bands (ev): -19.9448 -19.9448 -19.9448 -19.9448 -16.1283 -16.1283 -16.1281 -16.1281 -7.9948 -7.9948 -7.9942 -7.9942 -6.6325 -6.6325 -6.6254 -6.6254 -4.7936 -4.7936 -4.7935 -4.7935 -4.5943 -4.5943 -4.5831 -4.5831 1.9009 1.9009 1.9013 1.9013 2.6838 2.6838 2.6926 2.6926 2.7300 2.7300 2.7407 2.7407 3.1496 3.1496 3.1548 3.1548 3.9356 3.9356 3.9370 3.9370 4.1292 4.1292 4.1310 4.1310 12.0522 12.0522 12.0660 12.0660 12.1480 12.1480 12.1565 12.1565 12.8059 12.8059 k = 0.5000 0.5000 0.3046 ( 5680 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9942 -7.9942 -7.9942 -7.9942 -6.6293 -6.6293 -6.6293 -6.6293 -4.7937 -4.7937 -4.7937 -4.7937 -4.5891 -4.5891 -4.5891 -4.5891 1.9013 1.9013 1.9013 1.9013 2.6894 2.6894 2.6894 2.6894 2.7352 2.7352 2.7352 2.7352 3.1510 3.1510 3.1510 3.1510 3.9364 3.9364 3.9364 3.9364 4.1307 4.1307 4.1307 4.1307 12.0672 12.0672 12.0672 12.0672 12.1453 12.1453 12.1453 12.1453 12.8107 12.8107 k = 0.5000 0.5000 0.3046 ( 5680 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9942 -7.9942 -7.9942 -7.9942 -6.6293 -6.6293 -6.6293 -6.6293 -4.7937 -4.7937 -4.7937 -4.7937 -4.5891 -4.5891 -4.5891 -4.5891 1.9013 1.9013 1.9013 1.9013 2.6894 2.6894 2.6894 2.6894 2.7352 2.7352 2.7352 2.7352 3.1510 3.1510 3.1510 3.1510 3.9364 3.9364 3.9364 3.9364 4.1307 4.1307 4.1307 4.1307 12.0672 12.0672 12.0672 12.0672 12.1453 12.1453 12.1453 12.1453 12.8107 12.8107 k = 0.4902 0.4902 0.3046 ( 5652 PWs) bands (ev): -19.9448 -19.9448 -19.9447 -19.9447 -16.1283 -16.1283 -16.1281 -16.1281 -7.9949 -7.9949 -7.9941 -7.9941 -6.6325 -6.6325 -6.6254 -6.6254 -4.7936 -4.7936 -4.7934 -4.7934 -4.5943 -4.5943 -4.5831 -4.5831 1.9002 1.9002 1.9019 1.9019 2.6837 2.6837 2.6927 2.6927 2.7299 2.7299 2.7408 2.7408 3.1496 3.1496 3.1548 3.1548 3.9355 3.9355 3.9371 3.9371 4.1289 4.1289 4.1312 4.1312 12.0490 12.0490 12.0712 12.0712 12.1401 12.1401 12.1624 12.1624 12.8059 12.8059 k = 0.4804 0.4804 0.3046 ( 5648 PWs) bands (ev): -19.9454 -19.9454 -19.9447 -19.9447 -16.1280 -16.1280 -16.1276 -16.1276 -7.9968 -7.9968 -7.9943 -7.9943 -6.6351 -6.6351 -6.6209 -6.6209 -4.7931 -4.7931 -4.7925 -4.7925 -4.5987 -4.5987 -4.5763 -4.5763 1.8972 1.8972 1.9038 1.9038 2.6756 2.6756 2.6940 2.6940 2.7246 2.7246 2.7464 2.7464 3.1506 3.1506 3.1610 3.1610 3.9337 3.9337 3.9381 3.9381 4.1247 4.1247 4.1316 4.1316 12.0181 12.0181 12.0749 12.0749 12.1284 12.1284 12.1944 12.1944 12.7987 12.7987 k = 0.4706 0.4706 0.3046 ( 5656 PWs) bands (ev): -19.9462 -19.9462 -19.9448 -19.9448 -16.1275 -16.1275 -16.1268 -16.1268 -7.9999 -7.9999 -7.9946 -7.9946 -6.6370 -6.6370 -6.6159 -6.6159 -4.7924 -4.7924 -4.7910 -4.7910 -4.6024 -4.6024 -4.5687 -4.5687 1.8924 1.8924 1.9070 1.9070 2.6653 2.6653 2.6935 2.6935 2.7191 2.7191 2.7519 2.7519 3.1539 3.1539 3.1696 3.1696 3.9309 3.9309 3.9395 3.9395 4.1179 4.1179 4.1321 4.1321 11.9845 11.9845 12.0800 12.0800 12.1102 12.1102 12.2300 12.2300 12.7896 12.7896 k = 0.4608 0.4608 0.3046 ( 5658 PWs) bands (ev): -19.9474 -19.9474 -19.9449 -19.9449 -16.1267 -16.1267 -16.1257 -16.1257 -8.0042 -8.0042 -7.9951 -7.9951 -6.6382 -6.6382 -6.6105 -6.6105 -4.7912 -4.7912 -4.7889 -4.7889 -4.6055 -4.6055 -4.5604 -4.5604 1.8860 1.8860 1.9115 1.9115 2.6532 2.6532 2.6912 2.6912 2.7131 2.7131 2.7569 2.7569 3.1593 3.1593 3.1806 3.1806 3.9270 3.9270 3.9415 3.9415 4.1085 4.1085 4.1327 4.1327 11.9512 11.9512 12.0772 12.0772 12.0960 12.0960 12.2659 12.2659 12.7792 12.7792 k = 0.4510 0.4510 0.3046 ( 5656 PWs) bands (ev): -19.9489 -19.9489 -19.9450 -19.9450 -16.1256 -16.1256 -16.1244 -16.1244 -8.0096 -8.0096 -7.9956 -7.9956 -6.6387 -6.6387 -6.6046 -6.6046 -4.7896 -4.7896 -4.7862 -4.7862 -4.6080 -4.6080 -4.5513 -4.5513 1.8783 1.8783 1.9172 1.9172 2.6396 2.6396 2.6872 2.6872 2.7065 2.7065 2.7615 2.7615 3.1666 3.1666 3.1939 3.1939 3.9221 3.9221 3.9440 3.9440 4.0967 4.0967 4.1335 4.1335 11.9195 11.9195 12.0497 12.0497 12.1036 12.1036 12.3005 12.3005 12.7680 12.7680 k = 0.4412 0.4412 0.3046 ( 5662 PWs) bands (ev): -19.9508 -19.9508 -19.9451 -19.9451 -16.1243 -16.1243 -16.1228 -16.1228 -8.0160 -8.0160 -7.9963 -7.9963 -6.6385 -6.6385 -6.5984 -6.5984 -4.7876 -4.7876 -4.7829 -4.7829 -4.6100 -4.6100 -4.5415 -4.5415 1.8697 1.8697 1.9241 1.9241 2.6248 2.6248 2.6811 2.6811 2.6992 2.6992 2.7654 2.7654 3.1758 3.1758 3.2093 3.2093 3.9161 3.9161 3.9469 3.9469 4.0826 4.0826 4.1345 4.1345 11.8899 11.8899 12.0153 12.0153 12.1165 12.1165 12.3331 12.3331 12.7562 12.7562 k = 0.4314 0.4314 0.3046 ( 5658 PWs) bands (ev): -19.9529 -19.9529 -19.9453 -19.9453 -16.1227 -16.1227 -16.1208 -16.1208 -8.0234 -8.0234 -7.9970 -7.9970 -6.6376 -6.6376 -6.5919 -6.5919 -4.7852 -4.7852 -4.7791 -4.7791 -4.6115 -4.6115 -4.5312 -4.5312 1.8605 1.8605 1.9324 1.9324 2.6090 2.6090 2.6730 2.6730 2.6914 2.6914 2.7688 2.7688 3.1865 3.1865 3.2265 3.2265 3.9091 3.9091 3.9503 3.9503 4.0667 4.0667 4.1356 4.1356 11.8626 11.8626 11.9778 11.9778 12.1322 12.1322 12.3630 12.3630 12.7438 12.7438 k = 0.4216 0.4216 0.3046 ( 5664 PWs) bands (ev): -19.9554 -19.9554 -19.9455 -19.9455 -16.1209 -16.1209 -16.1187 -16.1187 -8.0317 -8.0317 -7.9977 -7.9977 -6.6360 -6.6360 -6.5853 -6.5853 -4.7822 -4.7822 -4.7747 -4.7747 -4.6127 -4.6127 -4.5204 -4.5204 1.8511 1.8511 1.9418 1.9418 2.5924 2.5924 2.6628 2.6628 2.6827 2.6827 2.7716 2.7716 3.1986 3.1986 3.2454 3.2454 3.9010 3.9010 3.9540 3.9540 4.0493 4.0493 4.1369 4.1369 11.8378 11.8378 11.9390 11.9390 12.1503 12.1503 12.3896 12.3896 12.7304 12.7304 k = 0.4118 0.4118 0.3046 ( 5668 PWs) bands (ev): -19.9582 -19.9582 -19.9457 -19.9457 -16.1189 -16.1189 -16.1163 -16.1163 -8.0406 -8.0406 -7.9984 -7.9984 -6.6339 -6.6339 -6.5786 -6.5786 -4.7786 -4.7786 -4.7698 -4.7698 -4.6136 -4.6136 -4.5093 -4.5093 1.8418 1.8418 1.9525 1.9525 2.5752 2.5752 2.6507 2.6507 2.6731 2.6731 2.7738 2.7738 3.2118 3.2118 3.2655 3.2655 3.8917 3.8917 3.9576 3.9576 4.0312 4.0312 4.1384 4.1384 11.8152 11.8152 11.9004 11.9004 12.1707 12.1707 12.4127 12.4127 12.7150 12.7150 k = 0.4020 0.4020 0.3046 ( 5664 PWs) bands (ev): -19.9612 -19.9612 -19.9460 -19.9460 -16.1167 -16.1167 -16.1136 -16.1136 -8.0503 -8.0503 -7.9991 -7.9991 -6.6311 -6.6311 -6.5718 -6.5718 -4.7745 -4.7745 -4.7643 -4.7643 -4.6142 -4.6142 -4.4980 -4.4980 1.8331 1.8331 1.9644 1.9644 2.5575 2.5575 2.6370 2.6370 2.6624 2.6624 2.7756 2.7756 3.2261 3.2261 3.2866 3.2866 3.8812 3.8812 3.9602 3.9602 4.0137 4.0137 4.1400 4.1400 11.7943 11.7943 11.8635 11.8635 12.1932 12.1932 12.4320 12.4320 12.6966 12.6966 k = 0.3922 0.3922 0.3046 ( 5668 PWs) bands (ev): -19.9646 -19.9646 -19.9462 -19.9462 -16.1143 -16.1143 -16.1107 -16.1107 -8.0604 -8.0604 -7.9998 -7.9998 -6.6279 -6.6279 -6.5651 -6.5651 -4.7699 -4.7699 -4.7584 -4.7584 -4.6146 -4.6146 -4.4865 -4.4865 1.8252 1.8252 1.9774 1.9774 2.5395 2.5395 2.6217 2.6217 2.6504 2.6504 2.7769 2.7769 3.2412 3.2412 3.3081 3.3081 3.8692 3.8692 3.9592 3.9592 4.0002 4.0002 4.1417 4.1417 11.7734 11.7734 11.8309 11.8309 12.2179 12.2179 12.4472 12.4472 12.6743 12.6743 k = 0.3824 0.3824 0.3046 ( 5678 PWs) bands (ev): -19.9682 -19.9682 -19.9465 -19.9465 -16.1117 -16.1117 -16.1075 -16.1075 -8.0710 -8.0710 -8.0003 -8.0003 -6.6242 -6.6242 -6.5584 -6.5584 -4.7647 -4.7647 -4.7519 -4.7519 -4.6149 -4.6149 -4.4751 -4.4751 1.8184 1.8184 1.9917 1.9917 2.5211 2.5211 2.6051 2.6051 2.6374 2.6374 2.7778 2.7778 3.2570 3.2570 3.3296 3.3296 3.8553 3.8553 3.9508 3.9508 3.9952 3.9952 4.1437 4.1437 11.7502 11.7502 11.8055 11.8055 12.2446 12.2446 12.4583 12.4583 12.6477 12.6477 k = 0.3725 0.3725 0.3046 ( 5674 PWs) bands (ev): -19.9720 -19.9720 -19.9469 -19.9469 -16.1089 -16.1089 -16.1041 -16.1041 -8.0818 -8.0818 -8.0008 -8.0008 -6.6200 -6.6200 -6.5519 -6.5519 -4.7591 -4.7591 -4.7450 -4.7450 -4.6150 -4.6150 -4.4639 -4.4639 1.8130 1.8130 2.0071 2.0071 2.5025 2.5025 2.5873 2.5873 2.6232 2.6232 2.7782 2.7782 3.2734 3.2734 3.3507 3.3507 3.8391 3.8391 3.9371 3.9371 3.9974 3.9974 4.1458 4.1458 11.7238 11.7238 11.7885 11.7885 12.2731 12.2731 12.4653 12.4653 12.6168 12.6168 k = 0.3627 0.3627 0.3046 ( 5680 PWs) bands (ev): -19.9761 -19.9761 -19.9472 -19.9472 -16.1060 -16.1060 -16.1005 -16.1005 -8.0928 -8.0928 -8.0010 -8.0010 -6.6156 -6.6156 -6.5455 -6.5455 -4.7530 -4.7530 -4.7377 -4.7377 -4.6151 -4.6151 -4.4529 -4.4529 1.8092 1.8092 2.0236 2.0236 2.4839 2.4839 2.5682 2.5682 2.6081 2.6081 2.7782 2.7782 3.2902 3.2902 3.3709 3.3709 3.8201 3.8201 3.9229 3.9229 4.0030 4.0030 4.1481 4.1481 11.6963 11.6963 11.7781 11.7781 12.3033 12.3033 12.4683 12.4683 12.5816 12.5816 k = 0.3529 0.3529 0.3046 ( 5688 PWs) bands (ev): -19.9804 -19.9804 -19.9475 -19.9475 -16.1029 -16.1029 -16.0967 -16.0967 -8.1040 -8.1040 -8.0011 -8.0011 -6.6109 -6.6109 -6.5394 -6.5394 -4.7465 -4.7465 -4.7299 -4.7299 -4.6152 -4.6152 -4.4423 -4.4423 1.8072 1.8072 2.0413 2.0413 2.4652 2.4652 2.5480 2.5480 2.5923 2.5923 2.7779 2.7779 3.3074 3.3074 3.3898 3.3898 3.7983 3.7983 3.9107 3.9107 4.0101 4.0101 4.1506 4.1506 11.6699 11.6699 11.7721 11.7721 12.3348 12.3348 12.4669 12.4669 12.5428 12.5428 k = 0.3431 0.3431 0.3046 ( 5690 PWs) bands (ev): -19.9849 -19.9849 -19.9479 -19.9479 -16.0996 -16.0996 -16.0928 -16.0928 -8.1151 -8.1151 -8.0009 -8.0009 -6.6060 -6.6060 -6.5335 -6.5335 -4.7397 -4.7397 -4.7217 -4.7217 -4.6153 -4.6153 -4.4322 -4.4322 1.8071 1.8071 2.0600 2.0600 2.4466 2.4466 2.5268 2.5268 2.5757 2.5757 2.7771 2.7771 3.3249 3.3249 3.4068 3.4068 3.7740 3.7740 3.9013 3.9013 4.0181 4.0181 4.1533 4.1533 11.6456 11.6456 11.7692 11.7692 12.3668 12.3668 12.4587 12.4587 12.5038 12.5038 k = 0.3333 0.3333 0.3046 ( 5694 PWs) bands (ev): -19.9895 -19.9895 -19.9483 -19.9483 -16.0963 -16.0963 -16.0886 -16.0886 -8.1261 -8.1261 -8.0004 -8.0004 -6.6011 -6.6011 -6.5278 -6.5278 -4.7326 -4.7326 -4.7131 -4.7131 -4.6154 -4.6154 -4.4227 -4.4227 1.8089 1.8089 2.0797 2.0797 2.4281 2.4281 2.5047 2.5047 2.5586 2.5586 2.7760 2.7760 3.3426 3.3426 3.4217 3.4217 3.7479 3.7479 3.8947 3.8947 4.0267 4.0267 4.1563 4.1563 11.6241 11.6241 11.7683 11.7683 12.3939 12.3939 12.4371 12.4371 12.4770 12.4770 k = 0.3235 0.3235 0.3046 ( 5698 PWs) bands (ev): -19.9943 -19.9943 -19.9487 -19.9487 -16.0928 -16.0928 -16.0843 -16.0843 -8.1369 -8.1369 -7.9996 -7.9996 -6.5962 -6.5962 -6.5223 -6.5223 -4.7252 -4.7252 -4.7043 -4.7043 -4.6156 -4.6156 -4.4139 -4.4139 1.8128 1.8128 2.1005 2.1005 2.4097 2.4097 2.4817 2.4817 2.5411 2.5411 2.7744 2.7744 3.3603 3.3603 3.4342 3.4342 3.7206 3.7206 3.8911 3.8911 4.0356 4.0356 4.1596 4.1596 11.6056 11.6056 11.7689 11.7689 12.3714 12.3714 12.4437 12.4437 12.4651 12.4651 k = 0.3137 0.3137 0.3046 ( 5694 PWs) bands (ev): -19.9993 -19.9993 -19.9492 -19.9492 -16.0892 -16.0892 -16.0799 -16.0799 -8.1474 -8.1474 -7.9985 -7.9985 -6.5914 -6.5914 -6.5171 -6.5171 -4.7177 -4.7177 -4.6952 -4.6952 -4.6158 -4.6158 -4.4058 -4.4058 1.8188 1.8188 2.1221 2.1221 2.3916 2.3916 2.4581 2.4581 2.5234 2.5234 2.7725 2.7725 3.3779 3.3779 3.4443 3.4443 3.6927 3.6927 3.8901 3.8901 4.0448 4.0448 4.1631 4.1631 11.5901 11.5901 11.7702 11.7702 12.3161 12.3161 12.4507 12.4507 12.4789 12.4789 k = 0.3039 0.3039 0.3046 ( 5694 PWs) bands (ev): -20.0044 -20.0044 -19.9496 -19.9496 -16.0856 -16.0856 -16.0753 -16.0753 -8.1576 -8.1576 -7.9970 -7.9970 -6.5868 -6.5868 -6.5121 -6.5121 -4.7100 -4.7100 -4.6860 -4.6860 -4.6160 -4.6160 -4.3986 -4.3986 1.8268 1.8268 2.1446 2.1446 2.3738 2.3738 2.4338 2.4338 2.5054 2.5054 2.7703 2.7703 3.3952 3.3952 3.4519 3.4519 3.6648 3.6648 3.8918 3.8918 4.0542 4.0542 4.1670 4.1670 11.5774 11.5774 11.7715 11.7715 12.2534 12.2534 12.4412 12.4412 12.5046 12.5046 k = 0.2941 0.2941 0.3046 ( 5694 PWs) bands (ev): -20.0096 -20.0096 -19.9501 -19.9501 -16.0818 -16.0818 -16.0706 -16.0706 -8.1674 -8.1674 -7.9952 -7.9952 -6.5825 -6.5825 -6.5072 -6.5072 -4.7023 -4.7023 -4.6769 -4.6769 -4.6161 -4.6161 -4.3923 -4.3923 1.8368 1.8368 2.1679 2.1679 2.3563 2.3563 2.4091 2.4091 2.4875 2.4875 2.7676 2.7676 3.4117 3.4117 3.4576 3.4576 3.6373 3.6373 3.8958 3.8958 4.0635 4.0635 4.1713 4.1713 11.5675 11.5675 11.7721 11.7721 12.1861 12.1861 12.4306 12.4306 12.4830 12.4830 k = 0.2843 0.2843 0.3046 ( 5690 PWs) bands (ev): -20.0148 -20.0148 -19.9505 -19.9505 -16.0780 -16.0780 -16.0658 -16.0658 -8.1767 -8.1767 -7.9929 -7.9929 -6.5786 -6.5786 -6.5025 -6.5025 -4.6945 -4.6945 -4.6681 -4.6681 -4.6158 -4.6158 -4.3868 -4.3868 1.8487 1.8487 2.1918 2.1918 2.3391 2.3391 2.3841 2.3841 2.4695 2.4695 2.7647 2.7647 3.4262 3.4262 3.4626 3.4626 3.6108 3.6108 3.9018 3.9018 4.0726 4.0726 4.1759 4.1759 11.5600 11.5600 11.7714 11.7714 12.1154 12.1154 12.3901 12.3901 12.4196 12.4196 k = 0.2745 0.2745 0.3046 ( 5698 PWs) bands (ev): -20.0202 -20.0202 -19.9510 -19.9510 -16.0742 -16.0742 -16.0610 -16.0610 -8.1855 -8.1855 -7.9903 -7.9903 -6.5752 -6.5752 -6.4979 -6.4979 -4.6868 -4.6868 -4.6603 -4.6603 -4.6148 -4.6148 -4.3824 -4.3824 1.8623 1.8623 2.2163 2.2163 2.3223 2.3223 2.3590 2.3590 2.4517 2.4517 2.7613 2.7613 3.4363 3.4363 3.4694 3.4694 3.5857 3.5857 3.9097 3.9097 4.0816 4.0816 4.1808 4.1808 11.5546 11.5546 11.7689 11.7689 12.0420 12.0420 12.2843 12.2843 12.4072 12.4072 k = 0.2647 0.2647 0.3046 ( 5690 PWs) bands (ev): -20.0255 -20.0255 -19.9515 -19.9515 -16.0704 -16.0704 -16.0561 -16.0561 -8.1938 -8.1938 -7.9871 -7.9871 -6.5723 -6.5723 -6.4934 -6.4934 -4.6791 -4.6791 -4.6539 -4.6539 -4.6124 -4.6124 -4.3788 -4.3788 1.8774 1.8774 2.2410 2.2410 2.3060 2.3060 2.3340 2.3340 2.4342 2.4342 2.7576 2.7576 3.4403 3.4403 3.4796 3.4796 3.5631 3.5631 3.9189 3.9189 4.0902 4.0902 4.1860 4.1860 11.5510 11.5510 11.7641 11.7641 11.9668 11.9668 12.1771 12.1771 12.3930 12.3930 k = 0.2549 0.2549 0.3046 ( 5694 PWs) bands (ev): -20.0309 -20.0309 -19.9520 -19.9520 -16.0665 -16.0665 -16.0512 -16.0512 -8.2015 -8.2015 -7.9836 -7.9836 -6.5701 -6.5701 -6.4890 -6.4890 -4.6714 -4.6714 -4.6498 -4.6498 -4.6081 -4.6081 -4.3762 -4.3762 1.8938 1.8938 2.2650 2.2650 2.2904 2.2904 2.3097 2.3097 2.4172 2.4172 2.7537 2.7537 3.4396 3.4396 3.4898 3.4898 3.5453 3.5453 3.9293 3.9293 4.0985 4.0985 4.1915 4.1915 11.5487 11.5487 11.7565 11.7565 11.8907 11.8907 12.0705 12.0705 12.3761 12.3761 k = 0.2451 0.2451 0.3046 ( 5696 PWs) bands (ev): -20.0363 -20.0363 -19.9525 -19.9525 -16.0626 -16.0626 -16.0462 -16.0462 -8.2086 -8.2086 -7.9796 -7.9796 -6.5685 -6.5685 -6.4847 -6.4847 -4.6640 -4.6640 -4.6481 -4.6481 -4.6015 -4.6015 -4.3746 -4.3746 1.9113 1.9113 2.2715 2.2715 2.2811 2.2811 2.2974 2.2974 2.4008 2.4008 2.7494 2.7494 3.4365 3.4365 3.4922 3.4922 3.5387 3.5387 3.9404 3.9404 4.1064 4.1064 4.1970 4.1970 11.5472 11.5472 11.7446 11.7446 11.8159 11.8159 11.9657 11.9657 12.3559 12.3559 k = 0.2353 0.2353 0.3046 ( 5692 PWs) bands (ev): -20.0417 -20.0417 -19.9530 -19.9530 -16.0588 -16.0588 -16.0413 -16.0413 -8.2151 -8.2151 -7.9752 -7.9752 -6.5675 -6.5675 -6.4805 -6.4805 -4.6571 -4.6571 -4.6479 -4.6479 -4.5934 -4.5934 -4.3738 -4.3738 1.9295 1.9295 2.2536 2.2536 2.2632 2.2632 2.3178 2.3178 2.3861 2.3861 2.7448 2.7448 3.4319 3.4319 3.4833 3.4833 3.5464 3.5464 3.9521 3.9521 4.1139 4.1139 4.2026 4.2026 11.5462 11.5462 11.7152 11.7152 11.7560 11.7560 11.8634 11.8634 12.3322 12.3322 k = 0.2255 0.2255 0.3046 ( 5690 PWs) bands (ev): -20.0470 -20.0470 -19.9535 -19.9535 -16.0550 -16.0550 -16.0363 -16.0363 -8.2210 -8.2210 -7.9704 -7.9704 -6.5671 -6.5671 -6.4764 -6.4764 -4.6535 -4.6535 -4.6460 -4.6460 -4.5842 -4.5842 -4.3739 -4.3739 1.9481 1.9481 2.2315 2.2315 2.2475 2.2475 2.3362 2.3362 2.3768 2.3768 2.7400 2.7400 3.4267 3.4267 3.4708 3.4708 3.5604 3.5604 3.9641 3.9641 4.1210 4.1210 4.2079 4.2079 11.5450 11.5450 11.6488 11.6488 11.7276 11.7276 11.7681 11.7681 12.3057 12.3057 k = 0.2157 0.2157 0.3046 ( 5694 PWs) bands (ev): -20.0523 -20.0523 -19.9540 -19.9540 -16.0513 -16.0513 -16.0314 -16.0314 -8.2262 -8.2262 -7.9652 -7.9652 -6.5674 -6.5674 -6.4725 -6.4725 -4.6552 -4.6552 -4.6400 -4.6400 -4.5745 -4.5745 -4.3748 -4.3748 1.9667 1.9667 2.2088 2.2088 2.2334 2.2334 2.3382 2.3382 2.3846 2.3846 2.7349 2.7349 3.4211 3.4211 3.4595 3.4595 3.5764 3.5764 3.9763 3.9763 4.1278 4.1278 4.2129 4.2129 11.5413 11.5413 11.5758 11.5758 11.6581 11.6581 11.7252 11.7252 12.2770 12.2770 k = 0.2059 0.2059 0.3046 ( 5690 PWs) bands (ev): -20.0575 -20.0575 -19.9545 -19.9545 -16.0476 -16.0476 -16.0266 -16.0266 -8.2309 -8.2309 -7.9596 -7.9596 -6.5682 -6.5682 -6.4688 -6.4688 -4.6587 -4.6587 -4.6330 -4.6330 -4.5645 -4.5645 -4.3764 -4.3764 1.9849 1.9849 2.1866 2.1866 2.2203 2.2203 2.3276 2.3276 2.4051 2.4051 2.7297 2.7297 3.4156 3.4156 3.4506 3.4506 3.5930 3.5930 3.9885 3.9885 4.1341 4.1341 4.2173 4.2173 11.4951 11.4951 11.5395 11.5395 11.5701 11.5701 11.7097 11.7097 12.2469 12.2469 k = 0.1961 0.1961 0.3046 ( 5696 PWs) bands (ev): -20.0626 -20.0626 -19.9550 -19.9550 -16.0440 -16.0440 -16.0218 -16.0218 -8.2350 -8.2350 -7.9537 -7.9537 -6.5695 -6.5695 -6.4654 -6.4654 -4.6630 -4.6630 -4.6260 -4.6260 -4.5546 -4.5546 -4.3786 -4.3786 2.0020 2.0020 2.1656 2.1656 2.2078 2.2078 2.3145 2.3145 2.4282 2.4282 2.7243 2.7243 3.4108 3.4108 3.4444 3.4444 3.6097 3.6097 4.0007 4.0007 4.1401 4.1401 4.2211 4.2211 11.4220 11.4220 11.4684 11.4684 11.5453 11.5453 11.6968 11.6968 12.2161 12.2161 k = 0.1863 0.1863 0.3046 ( 5704 PWs) bands (ev): -20.0675 -20.0675 -19.9555 -19.9555 -16.0404 -16.0404 -16.0172 -16.0172 -8.2385 -8.2385 -7.9475 -7.9475 -6.5713 -6.5713 -6.4623 -6.4623 -4.6678 -4.6678 -4.6191 -4.6191 -4.5449 -4.5449 -4.3813 -4.3813 2.0174 2.0174 2.1464 2.1464 2.1960 2.1960 2.3011 2.3011 2.4513 2.4513 2.7188 2.7188 3.4074 3.4074 3.4409 3.4409 3.6263 3.6263 4.0127 4.0127 4.1458 4.1458 4.2241 4.2241 11.3493 11.3493 11.3803 11.3803 11.5404 11.5404 11.6855 11.6855 12.1851 12.1851 k = 0.1765 0.1765 0.3046 ( 5712 PWs) bands (ev): -20.0724 -20.0724 -19.9560 -19.9560 -16.0370 -16.0370 -16.0126 -16.0126 -8.2414 -8.2414 -7.9410 -7.9410 -6.5735 -6.5735 -6.4594 -6.4594 -4.6731 -4.6731 -4.6124 -4.6124 -4.5354 -4.5354 -4.3845 -4.3845 2.0299 2.0299 2.1299 2.1299 2.1848 2.1848 2.2881 2.2881 2.4736 2.4736 2.7132 2.7132 3.4061 3.4061 3.4397 3.4397 3.6426 3.6426 4.0246 4.0246 4.1510 4.1510 4.2262 4.2262 11.2779 11.2779 11.2953 11.2953 11.5351 11.5351 11.6760 11.6760 12.1543 12.1543 k = 0.1667 0.1667 0.3046 ( 5688 PWs) bands (ev): -20.0770 -20.0770 -19.9564 -19.9564 -16.0337 -16.0337 -16.0082 -16.0082 -8.2438 -8.2438 -7.9343 -7.9343 -6.5761 -6.5761 -6.4569 -6.4569 -4.6786 -4.6786 -4.6058 -4.6058 -4.5264 -4.5264 -4.3879 -4.3879 2.0376 2.0376 2.1178 2.1178 2.1744 2.1744 2.2758 2.2758 2.4947 2.4947 2.7077 2.7077 3.4074 3.4074 3.4406 3.4406 3.6586 3.6586 4.0362 4.0362 4.1557 4.1557 4.2274 4.2274 11.2053 11.2053 11.2171 11.2171 11.5287 11.5287 11.6688 11.6688 12.1241 12.1241 k = 0.1569 0.1569 0.3046 ( 5700 PWs) bands (ev): -20.0815 -20.0815 -19.9569 -19.9569 -16.0305 -16.0305 -16.0039 -16.0039 -8.2457 -8.2457 -7.9274 -7.9274 -6.5789 -6.5789 -6.4548 -6.4548 -4.6843 -4.6843 -4.5994 -4.5994 -4.5180 -4.5180 -4.3915 -4.3915 2.0382 2.0382 2.1122 2.1122 2.1646 2.1646 2.2642 2.2642 2.5144 2.5144 2.7021 2.7021 3.4114 3.4114 3.4434 3.4434 3.6741 3.6741 4.0474 4.0474 4.1597 4.1597 4.2280 4.2280 11.1289 11.1289 11.1488 11.1488 11.5208 11.5208 11.6640 11.6640 12.0948 12.0948 k = 0.1471 0.1471 0.3046 ( 5708 PWs) bands (ev): -20.0859 -20.0859 -19.9573 -19.9573 -16.0275 -16.0275 -15.9998 -15.9998 -8.2472 -8.2472 -7.9204 -7.9204 -6.5820 -6.5820 -6.4530 -6.4530 -4.6902 -4.6902 -4.5931 -4.5931 -4.5102 -4.5102 -4.3950 -4.3950 2.0319 2.0319 2.1128 2.1128 2.1554 2.1554 2.2535 2.2535 2.5324 2.5324 2.6967 2.6967 3.4184 3.4184 3.4481 3.4481 3.6892 3.6892 4.0581 4.0581 4.1626 4.1626 4.2281 4.2281 11.0542 11.0542 11.0856 11.0856 11.5116 11.5116 11.6619 11.6619 12.0666 12.0666 k = 0.1373 0.1373 0.3046 ( 5714 PWs) bands (ev): -20.0900 -20.0900 -19.9578 -19.9578 -16.0246 -16.0246 -15.9959 -15.9959 -8.2483 -8.2483 -7.9134 -7.9134 -6.5852 -6.5852 -6.4516 -6.4516 -4.6962 -4.6962 -4.5871 -4.5871 -4.5032 -4.5032 -4.3984 -4.3984 2.0213 2.0213 2.1168 2.1168 2.1470 2.1470 2.2437 2.2437 2.5486 2.5486 2.6915 2.6915 3.4280 3.4280 3.4548 3.4548 3.7037 3.7037 4.0679 4.0679 4.1643 4.1643 4.2282 4.2282 10.9830 10.9830 11.0260 11.0260 11.5010 11.5010 11.6625 11.6625 12.0396 12.0396 k = 0.1275 0.1275 0.3046 ( 5718 PWs) bands (ev): -20.0939 -20.0939 -19.9582 -19.9582 -16.0218 -16.0218 -15.9922 -15.9922 -8.2490 -8.2490 -7.9064 -7.9064 -6.5885 -6.5885 -6.4505 -6.4505 -4.7021 -4.7021 -4.5813 -4.5813 -4.4973 -4.4973 -4.4014 -4.4014 2.0091 2.0091 2.1213 2.1213 2.1395 2.1395 2.2351 2.2351 2.5630 2.5630 2.6864 2.6864 3.4395 3.4395 3.4639 3.4639 3.7176 3.7176 4.0766 4.0766 4.1644 4.1644 4.2289 4.2289 10.9158 10.9158 10.9698 10.9698 11.4891 11.4891 11.6660 11.6660 12.0142 12.0142 k = 0.1176 0.1176 0.3046 ( 5726 PWs) bands (ev): -20.0975 -20.0975 -19.9586 -19.9586 -16.0193 -16.0193 -15.9886 -15.9886 -8.2494 -8.2494 -7.8995 -7.8995 -6.5918 -6.5918 -6.4498 -6.4498 -4.7080 -4.7080 -4.5757 -4.5757 -4.4924 -4.4924 -4.4038 -4.4038 1.9967 1.9967 2.1245 2.1245 2.1333 2.1333 2.2277 2.2277 2.5754 2.5754 2.6817 2.6817 3.4514 3.4514 3.4766 3.4766 3.7308 3.7308 4.0833 4.0833 4.1631 4.1631 4.2306 4.2306 10.8529 10.8529 10.9172 10.9172 11.4761 11.4761 11.6722 11.6722 11.9904 11.9904 k = 0.1078 0.1078 0.3046 ( 5716 PWs) bands (ev): -20.1010 -20.1010 -19.9589 -19.9589 -16.0169 -16.0169 -15.9854 -15.9854 -8.2495 -8.2495 -7.8928 -7.8928 -6.5951 -6.5951 -6.4493 -6.4493 -4.7137 -4.7137 -4.5704 -4.5704 -4.4889 -4.4889 -4.4055 -4.4055 1.9848 1.9848 2.1228 2.1228 2.1314 2.1314 2.2215 2.2215 2.5859 2.5859 2.6775 2.6775 3.4624 3.4624 3.4937 3.4937 3.7433 3.7433 4.0869 4.0869 4.1612 4.1612 4.2336 4.2336 10.7944 10.7944 10.8683 10.8683 11.4623 11.4623 11.6809 11.6809 11.9684 11.9684 k = 0.0980 0.0980 0.3046 ( 5720 PWs) bands (ev): -20.1041 -20.1041 -19.9592 -19.9592 -16.0146 -16.0146 -15.9823 -15.9823 -8.2494 -8.2494 -7.8864 -7.8864 -6.5984 -6.5984 -6.4491 -6.4491 -4.7191 -4.7191 -4.5653 -4.5653 -4.4866 -4.4866 -4.4063 -4.4063 1.9736 1.9736 2.1178 2.1178 2.1320 2.1320 2.2165 2.2165 2.5946 2.5946 2.6737 2.6737 3.4724 3.4724 3.5148 3.5148 3.7551 3.7551 4.0858 4.0858 4.1602 4.1602 4.2377 4.2377 10.7404 10.7404 10.8232 10.8232 11.4479 11.4479 11.6916 11.6916 11.9484 11.9484 k = 0.0882 0.0882 0.3046 ( 5728 PWs) bands (ev): -20.1070 -20.1070 -19.9596 -19.9596 -16.0126 -16.0126 -15.9795 -15.9795 -8.2492 -8.2492 -7.8803 -7.8803 -6.6015 -6.6015 -6.4492 -6.4492 -4.7243 -4.7243 -4.5605 -4.5605 -4.4857 -4.4857 -4.4063 -4.4063 1.9633 1.9633 2.1127 2.1127 2.1320 2.1320 2.2126 2.2126 2.6015 2.6015 2.6704 2.6704 3.4814 3.4814 3.5391 3.5391 3.7661 3.7661 4.0791 4.0791 4.1611 4.1611 4.2428 4.2428 10.6912 10.6912 10.7821 10.7821 11.4333 11.4333 11.7039 11.7039 11.9306 11.9306 k = 0.0784 0.0784 0.3046 ( 5732 PWs) bands (ev): -20.1097 -20.1097 -19.9598 -19.9598 -16.0108 -16.0108 -15.9770 -15.9770 -8.2488 -8.2488 -7.8746 -7.8746 -6.6044 -6.6044 -6.4494 -6.4494 -4.7291 -4.7291 -4.5559 -4.5559 -4.4858 -4.4858 -4.4056 -4.4056 1.9540 1.9540 2.1080 2.1080 2.1310 2.1310 2.2096 2.2096 2.6068 2.6068 2.6678 2.6678 3.4899 3.4899 3.5657 3.5657 3.7764 3.7764 4.0670 4.0670 4.1639 4.1639 4.2485 4.2485 10.6468 10.6468 10.7450 10.7450 11.4188 11.4188 11.7171 11.7171 11.9152 11.9152 k = 0.0686 0.0686 0.3046 ( 5732 PWs) bands (ev): -20.1120 -20.1120 -19.9601 -19.9601 -16.0091 -16.0091 -15.9747 -15.9747 -8.2483 -8.2483 -7.8693 -7.8693 -6.6070 -6.6070 -6.4497 -6.4497 -4.7336 -4.7336 -4.5516 -4.5516 -4.4869 -4.4869 -4.4044 -4.4044 1.9459 1.9459 2.1039 2.1039 2.1294 2.1294 2.2073 2.2073 2.6106 2.6106 2.6659 2.6659 3.4976 3.4976 3.5938 3.5938 3.7860 3.7860 4.0504 4.0504 4.1679 4.1679 4.2545 4.2545 10.6074 10.6074 10.7120 10.7120 11.4047 11.4047 11.7303 11.7303 11.9024 11.9024 k = 0.0588 0.0588 0.3046 ( 5720 PWs) bands (ev): -20.1140 -20.1140 -19.9603 -19.9603 -16.0077 -16.0077 -15.9727 -15.9727 -8.2478 -8.2478 -7.8646 -7.8646 -6.6095 -6.6095 -6.4501 -6.4501 -4.7375 -4.7375 -4.5476 -4.5476 -4.4886 -4.4886 -4.4028 -4.4028 1.9388 1.9388 2.1003 2.1003 2.1274 2.1274 2.2056 2.2056 2.6131 2.6131 2.6645 2.6645 3.5046 3.5046 3.6229 3.6229 3.7951 3.7951 4.0303 4.0303 4.1721 4.1721 4.2606 4.2606 10.5730 10.5730 10.6833 10.6833 11.3915 11.3915 11.7427 11.7427 11.8926 11.8926 k = 0.0490 0.0490 0.3046 ( 5704 PWs) bands (ev): -20.1158 -20.1158 -19.9605 -19.9605 -16.0065 -16.0065 -15.9710 -15.9710 -8.2473 -8.2473 -7.8606 -7.8606 -6.6116 -6.6116 -6.4506 -6.4506 -4.7409 -4.7409 -4.5439 -4.5439 -4.4907 -4.4907 -4.4012 -4.4012 1.9329 1.9329 2.0973 2.0973 2.1254 2.1254 2.2042 2.2042 2.6147 2.6147 2.6637 2.6637 3.5107 3.5107 3.6520 3.6520 3.8040 3.8040 4.0076 4.0076 4.1762 4.1762 4.2664 4.2664 10.5438 10.5438 10.6588 10.6588 11.3796 11.3796 11.7535 11.7535 11.8857 11.8857 k = 0.0392 0.0392 0.3046 ( 5712 PWs) bands (ev): -20.1172 -20.1172 -19.9607 -19.9607 -16.0055 -16.0055 -15.9696 -15.9696 -8.2469 -8.2469 -7.8571 -7.8571 -6.6133 -6.6133 -6.4510 -6.4510 -4.7437 -4.7437 -4.5406 -4.5406 -4.4929 -4.4929 -4.3997 -4.3997 1.9280 1.9280 2.0948 2.0948 2.1234 2.1234 2.2032 2.2032 2.6155 2.6155 2.6632 2.6632 3.5158 3.5158 3.6800 3.6800 3.8133 3.8133 3.9829 3.9829 4.1797 4.1797 4.2716 4.2716 10.5197 10.5197 10.6387 10.6387 11.3693 11.3693 11.7619 11.7619 11.8819 11.8819 k = 0.0294 0.0294 0.3046 ( 5712 PWs) bands (ev): -20.1183 -20.1183 -19.9608 -19.9608 -16.0047 -16.0047 -15.9685 -15.9685 -8.2465 -8.2465 -7.8544 -7.8544 -6.6147 -6.6147 -6.4514 -6.4514 -4.7460 -4.7460 -4.5379 -4.5379 -4.4950 -4.4950 -4.3983 -4.3983 1.9242 1.9242 2.0929 2.0929 2.1217 2.1217 2.2023 2.2023 2.6159 2.6159 2.6630 2.6630 3.5198 3.5198 3.7053 3.7053 3.8239 3.8239 3.9568 3.9568 4.1826 4.1826 4.2760 4.2760 10.5010 10.5010 10.6231 10.6231 11.3609 11.3609 11.7677 11.7677 11.8805 11.8805 k = 0.0196 0.0196 0.3046 ( 5714 PWs) bands (ev): -20.1191 -20.1191 -19.9609 -19.9609 -16.0042 -16.0042 -15.9677 -15.9677 -8.2462 -8.2462 -7.8524 -7.8524 -6.6157 -6.6157 -6.4517 -6.4517 -4.7476 -4.7476 -4.5357 -4.5357 -4.4968 -4.4968 -4.3973 -4.3973 1.9215 1.9215 2.0915 2.0915 2.1204 2.1204 2.2018 2.2018 2.6160 2.6160 2.6629 2.6629 3.5228 3.5228 3.7257 3.7257 3.8375 3.8375 3.9299 3.9299 4.1846 4.1846 4.2794 4.2794 10.4875 10.4875 10.6118 10.6118 11.3547 11.3547 11.7712 11.7712 11.8807 11.8807 k = 0.0098 0.0098 0.3046 ( 5718 PWs) bands (ev): -20.1196 -20.1196 -19.9609 -19.9609 -16.0038 -16.0038 -15.9673 -15.9673 -8.2460 -8.2460 -7.8512 -7.8512 -6.6163 -6.6163 -6.4519 -6.4519 -4.7486 -4.7486 -4.5343 -4.5343 -4.4979 -4.4979 -4.3967 -4.3967 1.9199 1.9199 2.0907 2.0907 2.1196 2.1196 2.2014 2.2014 2.6160 2.6160 2.6629 2.6629 3.5246 3.5246 3.7388 3.7388 3.8552 3.8552 3.9034 3.9034 4.1859 4.1859 4.2814 4.2814 10.4795 10.4795 10.6051 10.6051 11.3508 11.3508 11.7730 11.7730 11.8813 11.8813 k = 0.0000 0.0000 0.3046 ( 5718 PWs) bands (ev): -20.1198 -20.1198 -19.9609 -19.9609 -16.0037 -16.0037 -15.9671 -15.9671 -8.2460 -8.2460 -7.8508 -7.8508 -6.6166 -6.6166 -6.4519 -6.4519 -4.7489 -4.7489 -4.5338 -4.5338 -4.4984 -4.4984 -4.3965 -4.3965 1.9194 1.9194 2.0904 2.0904 2.1193 2.1193 2.2013 2.2013 2.6160 2.6160 2.6629 2.6629 3.5252 3.5252 3.7433 3.7433 3.8736 3.8736 3.8818 3.8818 4.1863 4.1863 4.2821 4.2821 10.4768 10.4768 10.6028 10.6028 11.3496 11.3496 11.7735 11.7735 11.8816 11.8816 k = 0.0000 0.5000-0.0000 ( 5694 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1445 -8.1445 -8.1445 -8.1445 -6.4922 -6.4922 -6.4922 -6.4922 -4.6211 -4.6211 -4.6211 -4.6211 -4.4710 -4.4710 -4.4710 -4.4710 2.1546 2.1546 2.1546 2.1546 2.3531 2.3531 2.3531 2.3531 2.4852 2.4852 2.4852 2.4852 3.4948 3.4948 3.4948 3.4948 3.7005 3.7005 3.7005 3.7005 4.0346 4.0346 4.0346 4.0346 11.0765 11.0765 11.0765 11.0765 11.6738 11.6738 11.6738 11.6738 12.3151 12.3151 k = 0.0000 0.5000 0.0138 ( 5686 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1446 -8.1446 -8.1446 -8.1446 -6.4921 -6.4921 -6.4921 -6.4921 -4.6210 -4.6210 -4.6210 -4.6210 -4.4710 -4.4710 -4.4710 -4.4710 2.1548 2.1548 2.1548 2.1548 2.3529 2.3529 2.3529 2.3529 2.4846 2.4846 2.4846 2.4846 3.4942 3.4942 3.4942 3.4942 3.7007 3.7007 3.7007 3.7007 4.0350 4.0350 4.0350 4.0350 11.0774 11.0774 11.0774 11.0774 11.6771 11.6771 11.6771 11.6771 12.3158 12.3158 k = 0.0000 0.5000 0.0277 ( 5686 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1448 -8.1448 -8.1448 -8.1448 -6.4919 -6.4919 -6.4919 -6.4919 -4.6206 -4.6206 -4.6206 -4.6206 -4.4710 -4.4710 -4.4710 -4.4710 2.1553 2.1553 2.1553 2.1553 2.3523 2.3523 2.3523 2.3523 2.4827 2.4827 2.4827 2.4827 3.4925 3.4925 3.4925 3.4925 3.7014 3.7014 3.7014 3.7014 4.0362 4.0362 4.0362 4.0362 11.0801 11.0801 11.0801 11.0801 11.6872 11.6872 11.6872 11.6872 12.3181 12.3181 k = 0.0000 0.5000 0.0415 ( 5686 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1451 -8.1451 -8.1451 -8.1451 -6.4916 -6.4916 -6.4916 -6.4916 -4.6199 -4.6199 -4.6199 -4.6199 -4.4710 -4.4710 -4.4710 -4.4710 2.1560 2.1560 2.1560 2.1560 2.3514 2.3514 2.3514 2.3514 2.4795 2.4795 2.4795 2.4795 3.4898 3.4898 3.4898 3.4898 3.7025 3.7025 3.7025 3.7025 4.0381 4.0381 4.0381 4.0381 11.0844 11.0844 11.0844 11.0844 11.7037 11.7037 11.7037 11.7037 12.3218 12.3218 k = 0.0000 0.5000 0.0554 ( 5694 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0572 -16.0572 -16.0572 -16.0572 -8.1455 -8.1455 -8.1455 -8.1455 -6.4912 -6.4912 -6.4912 -6.4912 -4.6189 -4.6189 -4.6189 -4.6189 -4.4711 -4.4711 -4.4711 -4.4711 2.1570 2.1570 2.1570 2.1570 2.3501 2.3501 2.3501 2.3501 2.4752 2.4752 2.4752 2.4752 3.4861 3.4861 3.4861 3.4861 3.7041 3.7041 3.7041 3.7041 4.0406 4.0406 4.0406 4.0406 11.0904 11.0904 11.0904 11.0904 11.7262 11.7262 11.7262 11.7262 12.3271 12.3271 k = 0.0000 0.5000 0.0692 ( 5698 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0573 -16.0573 -16.0573 -16.0573 -8.1461 -8.1461 -8.1461 -8.1461 -6.4907 -6.4907 -6.4907 -6.4907 -4.6177 -4.6177 -4.6177 -4.6177 -4.4711 -4.4711 -4.4711 -4.4711 2.1584 2.1584 2.1584 2.1584 2.3484 2.3484 2.3484 2.3484 2.4698 2.4698 2.4698 2.4698 3.4815 3.4815 3.4815 3.4815 3.7060 3.7060 3.7060 3.7060 4.0437 4.0437 4.0437 4.0437 11.0980 11.0980 11.0980 11.0980 11.7542 11.7542 11.7542 11.7542 12.3340 12.3340 k = 0.0000 0.5000 0.0831 ( 5680 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0573 -16.0573 -16.0573 -16.0573 -8.1467 -8.1467 -8.1467 -8.1467 -6.4901 -6.4901 -6.4901 -6.4901 -4.6163 -4.6163 -4.6163 -4.6163 -4.4712 -4.4712 -4.4712 -4.4712 2.1599 2.1599 2.1599 2.1599 2.3465 2.3465 2.3465 2.3465 2.4634 2.4634 2.4634 2.4634 3.4762 3.4762 3.4762 3.4762 3.7084 3.7084 3.7084 3.7084 4.0473 4.0473 4.0473 4.0473 11.1071 11.1071 11.1071 11.1071 11.7868 11.7868 11.7868 11.7868 12.3424 12.3424 k = 0.0000 0.5000 0.0969 ( 5686 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0573 -16.0573 -16.0573 -16.0573 -8.1474 -8.1474 -8.1474 -8.1474 -6.4894 -6.4894 -6.4894 -6.4894 -4.6148 -4.6148 -4.6148 -4.6148 -4.4713 -4.4713 -4.4713 -4.4713 2.1617 2.1617 2.1617 2.1617 2.3443 2.3443 2.3443 2.3443 2.4562 2.4562 2.4562 2.4562 3.4703 3.4703 3.4703 3.4703 3.7111 3.7111 3.7111 3.7111 4.0512 4.0512 4.0512 4.0512 11.1175 11.1175 11.1175 11.1175 11.8231 11.8231 11.8231 11.8231 12.3525 12.3525 k = 0.0000 0.5000 0.1108 ( 5690 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0573 -16.0573 -16.0573 -16.0573 -8.1482 -8.1482 -8.1482 -8.1482 -6.4886 -6.4886 -6.4886 -6.4886 -4.6130 -4.6130 -4.6130 -4.6130 -4.4714 -4.4714 -4.4714 -4.4714 2.1637 2.1637 2.1637 2.1637 2.3419 2.3419 2.3419 2.3419 2.4483 2.4483 2.4483 2.4483 3.4640 3.4640 3.4640 3.4640 3.7141 3.7141 3.7141 3.7141 4.0552 4.0552 4.0552 4.0552 11.1290 11.1290 11.1290 11.1290 11.8618 11.8618 11.8618 11.8618 12.3642 12.3642 k = 0.0000 0.5000 0.1246 ( 5694 PWs) bands (ev): -19.9926 -19.9926 -19.9926 -19.9926 -16.0573 -16.0573 -16.0573 -16.0573 -8.1490 -8.1490 -8.1490 -8.1490 -6.4878 -6.4878 -6.4878 -6.4878 -4.6112 -4.6112 -4.6112 -4.6112 -4.4715 -4.4715 -4.4715 -4.4715 2.1659 2.1659 2.1659 2.1659 2.3392 2.3392 2.3392 2.3392 2.4399 2.4399 2.4399 2.4399 3.4574 3.4574 3.4574 3.4574 3.7173 3.7173 3.7173 3.7173 4.0594 4.0594 4.0594 4.0594 11.1416 11.1416 11.1416 11.1416 11.9013 11.9013 11.9013 11.9013 12.3774 12.3774 k = 0.0000 0.5000 0.1385 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0574 -16.0574 -16.0574 -16.0574 -8.1499 -8.1499 -8.1499 -8.1499 -6.4870 -6.4870 -6.4870 -6.4870 -4.6092 -4.6092 -4.6092 -4.6092 -4.4716 -4.4716 -4.4716 -4.4716 2.1682 2.1682 2.1682 2.1682 2.3364 2.3364 2.3364 2.3364 2.4311 2.4311 2.4311 2.4311 3.4507 3.4507 3.4507 3.4507 3.7207 3.7207 3.7207 3.7207 4.0635 4.0635 4.0635 4.0635 11.1548 11.1548 11.1548 11.1548 11.9401 11.9401 11.9401 11.9401 12.3917 12.3917 k = 0.0000 0.5000 0.1523 ( 5692 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0574 -16.0574 -16.0574 -16.0574 -8.1508 -8.1508 -8.1508 -8.1508 -6.4861 -6.4861 -6.4861 -6.4861 -4.6072 -4.6072 -4.6072 -4.6072 -4.4717 -4.4717 -4.4717 -4.4717 2.1706 2.1706 2.1706 2.1706 2.3335 2.3335 2.3335 2.3335 2.4221 2.4221 2.4221 2.4221 3.4440 3.4440 3.4440 3.4440 3.7242 3.7242 3.7242 3.7242 4.0675 4.0675 4.0675 4.0675 11.1686 11.1686 11.1686 11.1686 11.9767 11.9767 11.9767 11.9767 12.4068 12.4068 k = 0.0000 0.5000 0.1662 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0574 -16.0574 -16.0574 -16.0574 -8.1517 -8.1517 -8.1517 -8.1517 -6.4852 -6.4852 -6.4852 -6.4852 -4.6052 -4.6052 -4.6052 -4.6052 -4.4718 -4.4718 -4.4718 -4.4718 2.1731 2.1731 2.1731 2.1731 2.3305 2.3305 2.3305 2.3305 2.4132 2.4132 2.4132 2.4132 3.4375 3.4375 3.4375 3.4375 3.7278 3.7278 3.7278 3.7278 4.0714 4.0714 4.0714 4.0714 11.1826 11.1826 11.1826 11.1826 12.0096 12.0096 12.0096 12.0096 12.4223 12.4223 k = 0.0000 0.5000 0.1800 ( 5694 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0574 -16.0574 -16.0574 -16.0574 -8.1525 -8.1525 -8.1525 -8.1525 -6.4844 -6.4844 -6.4844 -6.4844 -4.6032 -4.6032 -4.6032 -4.6032 -4.4719 -4.4719 -4.4719 -4.4719 2.1757 2.1757 2.1757 2.1757 2.3274 2.3274 2.3274 2.3274 2.4045 2.4045 2.4045 2.4045 3.4313 3.4313 3.4313 3.4313 3.7312 3.7312 3.7312 3.7312 4.0750 4.0750 4.0750 4.0750 11.1966 11.1966 11.1966 11.1966 12.0382 12.0382 12.0382 12.0382 12.4378 12.4378 k = 0.0000 0.5000 0.1939 ( 5696 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1534 -8.1534 -8.1534 -8.1534 -6.4836 -6.4836 -6.4836 -6.4836 -4.6013 -4.6013 -4.6013 -4.6013 -4.4720 -4.4720 -4.4720 -4.4720 2.1782 2.1782 2.1782 2.1782 2.3244 2.3244 2.3244 2.3244 2.3962 2.3962 2.3962 2.3962 3.4255 3.4255 3.4255 3.4255 3.7346 3.7346 3.7346 3.7346 4.0783 4.0783 4.0783 4.0783 11.2101 11.2101 11.2101 11.2101 12.0620 12.0620 12.0620 12.0620 12.4531 12.4531 k = 0.0000 0.5000 0.2077 ( 5692 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1542 -8.1542 -8.1542 -8.1542 -6.4829 -6.4829 -6.4829 -6.4829 -4.5996 -4.5996 -4.5996 -4.5996 -4.4721 -4.4721 -4.4721 -4.4721 2.1806 2.1806 2.1806 2.1806 2.3213 2.3213 2.3213 2.3213 2.3886 2.3886 2.3886 2.3886 3.4201 3.4201 3.4201 3.4201 3.7377 3.7377 3.7377 3.7377 4.0813 4.0813 4.0813 4.0813 11.2231 11.2231 11.2231 11.2231 12.0813 12.0813 12.0813 12.0813 12.4677 12.4677 k = 0.0000 0.5000 0.2215 ( 5692 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1549 -8.1549 -8.1549 -8.1549 -6.4822 -6.4822 -6.4822 -6.4822 -4.5979 -4.5979 -4.5979 -4.5979 -4.4722 -4.4722 -4.4722 -4.4722 2.1829 2.1829 2.1829 2.1829 2.3184 2.3184 2.3184 2.3184 2.3817 2.3817 2.3817 2.3817 3.4154 3.4154 3.4154 3.4154 3.7405 3.7405 3.7405 3.7405 4.0839 4.0839 4.0839 4.0839 11.2351 11.2351 11.2351 11.2351 12.0965 12.0965 12.0965 12.0965 12.4816 12.4816 k = 0.0000 0.5000 0.2354 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1555 -8.1555 -8.1555 -8.1555 -6.4816 -6.4816 -6.4816 -6.4816 -4.5965 -4.5965 -4.5965 -4.5965 -4.4723 -4.4723 -4.4723 -4.4723 2.1851 2.1851 2.1851 2.1851 2.3156 2.3156 2.3156 2.3156 2.3757 2.3757 2.3757 2.3757 3.4112 3.4112 3.4112 3.4112 3.7431 3.7431 3.7431 3.7431 4.0862 4.0862 4.0862 4.0862 11.2458 11.2458 11.2458 11.2458 12.1082 12.1082 12.1082 12.1082 12.4944 12.4944 k = 0.0000 0.5000 0.2492 ( 5694 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1560 -8.1560 -8.1560 -8.1560 -6.4811 -6.4811 -6.4811 -6.4811 -4.5953 -4.5953 -4.5953 -4.5953 -4.4724 -4.4724 -4.4724 -4.4724 2.1870 2.1870 2.1870 2.1870 2.3131 2.3131 2.3131 2.3131 2.3707 2.3707 2.3707 2.3707 3.4077 3.4077 3.4077 3.4077 3.7452 3.7452 3.7452 3.7452 4.0880 4.0880 4.0880 4.0880 11.2550 11.2550 11.2550 11.2550 12.1169 12.1169 12.1169 12.1169 12.5057 12.5057 k = 0.0000 0.5000 0.2631 ( 5682 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1564 -8.1564 -8.1564 -8.1564 -6.4807 -6.4807 -6.4807 -6.4807 -4.5943 -4.5943 -4.5943 -4.5943 -4.4725 -4.4725 -4.4725 -4.4725 2.1885 2.1885 2.1885 2.1885 2.3109 2.3109 2.3109 2.3109 2.3668 2.3668 2.3668 2.3668 3.4050 3.4050 3.4050 3.4050 3.7469 3.7469 3.7469 3.7469 4.0895 4.0895 4.0895 4.0895 11.2624 11.2624 11.2624 11.2624 12.1233 12.1233 12.1233 12.1233 12.5151 12.5151 k = 0.0000 0.5000 0.2769 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0575 -16.0575 -16.0575 -16.0575 -8.1567 -8.1567 -8.1567 -8.1567 -6.4804 -6.4804 -6.4804 -6.4804 -4.5936 -4.5936 -4.5936 -4.5936 -4.4725 -4.4725 -4.4725 -4.4725 2.1897 2.1897 2.1897 2.1897 2.3093 2.3093 2.3093 2.3093 2.3640 2.3640 2.3640 2.3640 3.4030 3.4030 3.4030 3.4030 3.7482 3.7482 3.7482 3.7482 4.0905 4.0905 4.0905 4.0905 11.2679 11.2679 11.2679 11.2679 12.1275 12.1275 12.1275 12.1275 12.5222 12.5222 k = 0.0000 0.5000 0.2908 ( 5690 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0576 -16.0576 -16.0576 -16.0576 -8.1569 -8.1569 -8.1569 -8.1569 -6.4802 -6.4802 -6.4802 -6.4802 -4.5932 -4.5932 -4.5932 -4.5932 -4.4725 -4.4725 -4.4725 -4.4725 2.1904 2.1904 2.1904 2.1904 2.3082 2.3082 2.3082 2.3082 2.3624 2.3624 2.3624 2.3624 3.4018 3.4018 3.4018 3.4018 3.7489 3.7489 3.7489 3.7489 4.0911 4.0911 4.0911 4.0911 11.2712 11.2712 11.2712 11.2712 12.1299 12.1299 12.1299 12.1299 12.5266 12.5266 k = 0.0000 0.5000 0.3046 ( 5688 PWs) bands (ev): -19.9925 -19.9925 -19.9925 -19.9925 -16.0576 -16.0576 -16.0576 -16.0576 -8.1570 -8.1570 -8.1570 -8.1570 -6.4801 -6.4801 -6.4801 -6.4801 -4.5930 -4.5930 -4.5930 -4.5930 -4.4726 -4.4726 -4.4726 -4.4726 2.1907 2.1907 2.1907 2.1907 2.3079 2.3079 2.3079 2.3079 2.3618 2.3618 2.3618 2.3618 3.4014 3.4014 3.4014 3.4014 3.7492 3.7492 3.7492 3.7492 4.0914 4.0914 4.0914 4.0914 11.2723 11.2723 11.2723 11.2723 12.1307 12.1307 12.1307 12.1307 12.5281 12.5281 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -19.9448 -19.9448 -19.9448 -19.9448 -16.1284 -16.1284 -16.1284 -16.1284 -7.9666 -7.9666 -7.9666 -7.9666 -6.6504 -6.6504 -6.6504 -6.6504 -4.7959 -4.7959 -4.7959 -4.7959 -4.6367 -4.6367 -4.6367 -4.6367 2.1471 2.1471 2.1471 2.1471 2.6917 2.6917 2.6917 2.6917 2.7374 2.7374 2.7374 2.7374 3.1662 3.1662 3.1662 3.1662 3.7959 3.7959 3.7959 3.7959 4.1119 4.1119 4.1119 4.1119 11.5401 11.5401 11.5401 11.5401 11.6674 11.6674 11.6674 11.6674 13.1717 13.1717 k = 0.5000 0.5000 0.0138 ( 5752 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9668 -7.9668 -7.9668 -7.9668 -6.6503 -6.6503 -6.6503 -6.6503 -4.7958 -4.7958 -4.7958 -4.7958 -4.6364 -4.6364 -4.6364 -4.6364 2.1457 2.1457 2.1457 2.1457 2.6916 2.6916 2.6916 2.6916 2.7373 2.7373 2.7373 2.7373 3.1662 3.1662 3.1662 3.1662 3.7967 3.7967 3.7967 3.7967 4.1120 4.1120 4.1120 4.1120 11.5428 11.5428 11.5428 11.5428 11.6688 11.6688 11.6688 11.6688 13.1718 13.1718 k = 0.5000 0.5000 0.0277 ( 5752 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9672 -7.9672 -7.9672 -7.9672 -6.6500 -6.6500 -6.6500 -6.6500 -4.7958 -4.7958 -4.7958 -4.7958 -4.6357 -4.6357 -4.6357 -4.6357 2.1416 2.1416 2.1416 2.1416 2.6916 2.6916 2.6916 2.6916 2.7373 2.7373 2.7373 2.7373 3.1660 3.1660 3.1660 3.1660 3.7993 3.7993 3.7993 3.7993 4.1122 4.1122 4.1122 4.1122 11.5510 11.5510 11.5510 11.5510 11.6730 11.6730 11.6730 11.6730 13.1720 13.1720 k = 0.5000 0.5000 0.0415 ( 5760 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9679 -7.9679 -7.9679 -7.9679 -6.6494 -6.6494 -6.6494 -6.6494 -4.7958 -4.7958 -4.7958 -4.7958 -4.6345 -4.6345 -4.6345 -4.6345 2.1350 2.1350 2.1350 2.1350 2.6915 2.6915 2.6915 2.6915 2.7372 2.7372 2.7372 2.7372 3.1656 3.1656 3.1656 3.1656 3.8036 3.8036 3.8036 3.8036 4.1126 4.1126 4.1126 4.1126 11.5644 11.5644 11.5644 11.5644 11.6801 11.6801 11.6801 11.6801 13.1724 13.1724 k = 0.5000 0.5000 0.0554 ( 5736 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9689 -7.9689 -7.9689 -7.9689 -6.6487 -6.6487 -6.6487 -6.6487 -4.7958 -4.7958 -4.7958 -4.7958 -4.6328 -4.6328 -4.6328 -4.6328 2.1259 2.1259 2.1259 2.1259 2.6914 2.6914 2.6914 2.6914 2.7371 2.7371 2.7371 2.7371 3.1651 3.1651 3.1651 3.1651 3.8093 3.8093 3.8093 3.8093 4.1131 4.1131 4.1131 4.1131 11.5830 11.5830 11.5830 11.5830 11.6899 11.6899 11.6899 11.6899 13.1728 13.1728 k = 0.5000 0.5000 0.0692 ( 5716 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9701 -7.9701 -7.9701 -7.9701 -6.6477 -6.6477 -6.6477 -6.6477 -4.7958 -4.7958 -4.7958 -4.7958 -4.6308 -4.6308 -4.6308 -4.6308 2.1146 2.1146 2.1146 2.1146 2.6912 2.6912 2.6912 2.6912 2.7369 2.7369 2.7369 2.7369 3.1645 3.1645 3.1645 3.1645 3.8163 3.8163 3.8163 3.8163 4.1137 4.1137 4.1137 4.1137 11.6063 11.6063 11.6063 11.6063 11.7024 11.7024 11.7024 11.7024 13.1730 13.1730 k = 0.5000 0.5000 0.0831 ( 5708 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9715 -7.9715 -7.9715 -7.9715 -6.6466 -6.6466 -6.6466 -6.6466 -4.7958 -4.7958 -4.7958 -4.7958 -4.6283 -4.6283 -4.6283 -4.6283 2.1014 2.1014 2.1014 2.1014 2.6911 2.6911 2.6911 2.6911 2.7368 2.7368 2.7368 2.7368 3.1637 3.1637 3.1637 3.1637 3.8245 3.8245 3.8245 3.8245 4.1144 4.1144 4.1144 4.1144 11.6342 11.6342 11.6342 11.6342 11.7177 11.7177 11.7177 11.7177 13.1724 13.1724 k = 0.5000 0.5000 0.0969 ( 5704 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9731 -7.9731 -7.9731 -7.9731 -6.6454 -6.6454 -6.6454 -6.6454 -4.7957 -4.7957 -4.7957 -4.7957 -4.6256 -4.6256 -4.6256 -4.6256 2.0867 2.0867 2.0867 2.0867 2.6909 2.6909 2.6909 2.6909 2.7366 2.7366 2.7366 2.7366 3.1629 3.1629 3.1629 3.1629 3.8335 3.8335 3.8335 3.8335 4.1153 4.1153 4.1153 4.1153 11.6660 11.6660 11.6660 11.6660 11.7355 11.7355 11.7355 11.7355 13.1695 13.1695 k = 0.5000 0.5000 0.1108 ( 5712 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9748 -7.9748 -7.9748 -7.9748 -6.6440 -6.6440 -6.6440 -6.6440 -4.7956 -4.7956 -4.7956 -4.7956 -4.6226 -4.6226 -4.6226 -4.6226 2.0707 2.0707 2.0707 2.0707 2.6907 2.6907 2.6907 2.6907 2.7364 2.7364 2.7364 2.7364 3.1619 3.1619 3.1619 3.1619 3.8432 3.8432 3.8432 3.8432 4.1163 4.1163 4.1163 4.1163 11.7011 11.7011 11.7011 11.7011 11.7558 11.7558 11.7558 11.7558 13.1612 13.1612 k = 0.5000 0.5000 0.1246 ( 5712 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9767 -7.9767 -7.9767 -7.9767 -6.6426 -6.6426 -6.6426 -6.6426 -4.7955 -4.7955 -4.7955 -4.7955 -4.6194 -4.6194 -4.6194 -4.6194 2.0538 2.0538 2.0538 2.0538 2.6906 2.6906 2.6906 2.6906 2.7363 2.7363 2.7363 2.7363 3.1609 3.1609 3.1609 3.1609 3.8532 3.8532 3.8532 3.8532 4.1174 4.1174 4.1174 4.1174 11.7388 11.7388 11.7388 11.7388 11.7789 11.7789 11.7789 11.7789 13.1446 13.1446 k = 0.5000 0.5000 0.1385 ( 5712 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9786 -7.9786 -7.9786 -7.9786 -6.6411 -6.6411 -6.6411 -6.6411 -4.7954 -4.7954 -4.7954 -4.7954 -4.6160 -4.6160 -4.6160 -4.6160 2.0364 2.0364 2.0364 2.0364 2.6904 2.6904 2.6904 2.6904 2.7361 2.7361 2.7361 2.7361 3.1599 3.1599 3.1599 3.1599 3.8634 3.8634 3.8634 3.8634 4.1186 4.1186 4.1186 4.1186 11.7776 11.7776 11.7776 11.7776 11.8051 11.8051 11.8051 11.8051 13.1214 13.1214 k = 0.5000 0.5000 0.1523 ( 5688 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9806 -7.9806 -7.9806 -7.9806 -6.6396 -6.6396 -6.6396 -6.6396 -4.7952 -4.7952 -4.7952 -4.7952 -4.6127 -4.6127 -4.6127 -4.6127 2.0189 2.0189 2.0189 2.0189 2.6902 2.6902 2.6902 2.6902 2.7360 2.7360 2.7360 2.7360 3.1588 3.1588 3.1588 3.1588 3.8735 3.8735 3.8735 3.8735 4.1199 4.1199 4.1199 4.1199 11.8146 11.8146 11.8146 11.8146 11.8363 11.8363 11.8363 11.8363 13.0937 13.0937 k = 0.5000 0.5000 0.1662 ( 5688 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9825 -7.9825 -7.9825 -7.9825 -6.6381 -6.6381 -6.6381 -6.6381 -4.7951 -4.7951 -4.7951 -4.7951 -4.6093 -4.6093 -4.6093 -4.6093 2.0016 2.0016 2.0016 2.0016 2.6901 2.6901 2.6901 2.6901 2.7358 2.7358 2.7358 2.7358 3.1577 3.1577 3.1577 3.1577 3.8833 3.8833 3.8833 3.8833 4.1212 4.1212 4.1212 4.1212 11.8473 11.8473 11.8473 11.8473 11.8741 11.8741 11.8741 11.8741 13.0632 13.0632 k = 0.5000 0.5000 0.1800 ( 5668 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9844 -7.9844 -7.9844 -7.9844 -6.6367 -6.6367 -6.6367 -6.6367 -4.7949 -4.7949 -4.7949 -4.7949 -4.6060 -4.6060 -4.6060 -4.6060 1.9848 1.9848 1.9848 1.9848 2.6900 2.6900 2.6900 2.6900 2.7357 2.7357 2.7357 2.7357 3.1566 3.1566 3.1566 3.1566 3.8927 3.8927 3.8927 3.8927 4.1225 4.1225 4.1225 4.1225 11.8777 11.8777 11.8777 11.8777 11.9149 11.9149 11.9149 11.9149 13.0307 13.0307 k = 0.5000 0.5000 0.1939 ( 5668 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9862 -7.9862 -7.9862 -7.9862 -6.6353 -6.6353 -6.6353 -6.6353 -4.7947 -4.7947 -4.7947 -4.7947 -4.6028 -4.6028 -4.6028 -4.6028 1.9689 1.9689 1.9689 1.9689 2.6899 2.6899 2.6899 2.6899 2.7356 2.7356 2.7356 2.7356 3.1556 3.1556 3.1556 3.1556 3.9013 3.9013 3.9013 3.9013 4.1239 4.1239 4.1239 4.1239 11.9076 11.9076 11.9076 11.9076 11.9558 11.9558 11.9558 11.9558 12.9970 12.9970 k = 0.5000 0.5000 0.2077 ( 5640 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9879 -7.9879 -7.9879 -7.9879 -6.6340 -6.6340 -6.6340 -6.6340 -4.7945 -4.7945 -4.7945 -4.7945 -4.5999 -4.5999 -4.5999 -4.5999 1.9542 1.9542 1.9542 1.9542 2.6898 2.6898 2.6898 2.6898 2.7355 2.7355 2.7355 2.7355 3.1546 3.1546 3.1546 3.1546 3.9093 3.9093 3.9093 3.9093 4.1253 4.1253 4.1253 4.1253 11.9371 11.9371 11.9371 11.9371 11.9950 11.9950 11.9950 11.9950 12.9631 12.9631 k = 0.5000 0.5000 0.2215 ( 5652 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9895 -7.9895 -7.9895 -7.9895 -6.6328 -6.6328 -6.6328 -6.6328 -4.7943 -4.7943 -4.7943 -4.7943 -4.5972 -4.5972 -4.5972 -4.5972 1.9408 1.9408 1.9408 1.9408 2.6897 2.6897 2.6897 2.6897 2.7355 2.7355 2.7355 2.7355 3.1537 3.1537 3.1537 3.1537 3.9163 3.9163 3.9163 3.9163 4.1265 4.1265 4.1265 4.1265 11.9657 11.9657 11.9657 11.9657 12.0315 12.0315 12.0315 12.0315 12.9298 12.9298 k = 0.5000 0.5000 0.2354 ( 5648 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9909 -7.9909 -7.9909 -7.9909 -6.6318 -6.6318 -6.6318 -6.6318 -4.7942 -4.7942 -4.7942 -4.7942 -4.5948 -4.5948 -4.5948 -4.5948 1.9292 1.9292 1.9292 1.9292 2.6896 2.6896 2.6896 2.6896 2.7354 2.7354 2.7354 2.7354 3.1529 3.1529 3.1529 3.1529 3.9223 3.9223 3.9223 3.9223 4.1277 4.1277 4.1277 4.1277 11.9927 11.9927 11.9927 11.9927 12.0642 12.0642 12.0642 12.0642 12.8983 12.8983 k = 0.5000 0.5000 0.2492 ( 5656 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9920 -7.9920 -7.9920 -7.9920 -6.6309 -6.6309 -6.6309 -6.6309 -4.7940 -4.7940 -4.7940 -4.7940 -4.5928 -4.5928 -4.5928 -4.5928 1.9193 1.9193 1.9193 1.9193 2.6895 2.6895 2.6895 2.6895 2.7353 2.7353 2.7353 2.7353 3.1522 3.1522 3.1522 3.1522 3.9274 3.9274 3.9274 3.9274 4.1287 4.1287 4.1287 4.1287 12.0171 12.0171 12.0171 12.0171 12.0922 12.0922 12.0922 12.0922 12.8696 12.8696 k = 0.5000 0.5000 0.2631 ( 5656 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9929 -7.9929 -7.9929 -7.9929 -6.6302 -6.6302 -6.6302 -6.6302 -4.7939 -4.7939 -4.7939 -4.7939 -4.5912 -4.5912 -4.5912 -4.5912 1.9115 1.9115 1.9115 1.9115 2.6895 2.6895 2.6895 2.6895 2.7353 2.7353 2.7353 2.7353 3.1517 3.1517 3.1517 3.1517 3.9313 3.9313 3.9313 3.9313 4.1296 4.1296 4.1296 4.1296 12.0378 12.0378 12.0378 12.0378 12.1149 12.1149 12.1149 12.1149 12.8453 12.8453 k = 0.5000 0.5000 0.2769 ( 5656 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9936 -7.9936 -7.9936 -7.9936 -6.6297 -6.6297 -6.6297 -6.6297 -4.7938 -4.7938 -4.7938 -4.7938 -4.5900 -4.5900 -4.5900 -4.5900 1.9059 1.9059 1.9059 1.9059 2.6895 2.6895 2.6895 2.6895 2.7353 2.7353 2.7353 2.7353 3.1513 3.1513 3.1513 3.1513 3.9341 3.9341 3.9341 3.9341 4.1302 4.1302 4.1302 4.1302 12.0537 12.0537 12.0537 12.0537 12.1316 12.1316 12.1316 12.1316 12.8266 12.8266 k = 0.5000 0.5000 0.2908 ( 5656 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9940 -7.9940 -7.9940 -7.9940 -6.6294 -6.6294 -6.6294 -6.6294 -4.7938 -4.7938 -4.7938 -4.7938 -4.5893 -4.5893 -4.5893 -4.5893 1.9024 1.9024 1.9024 1.9024 2.6894 2.6894 2.6894 2.6894 2.7352 2.7352 2.7352 2.7352 3.1511 3.1511 3.1511 3.1511 3.9359 3.9359 3.9359 3.9359 4.1306 4.1306 4.1306 4.1306 12.0638 12.0638 12.0638 12.0638 12.1418 12.1418 12.1418 12.1418 12.8147 12.8147 k = 0.5000 0.5000 0.3046 ( 5680 PWs) bands (ev): -19.9447 -19.9447 -19.9447 -19.9447 -16.1284 -16.1284 -16.1284 -16.1284 -7.9942 -7.9942 -7.9942 -7.9942 -6.6293 -6.6293 -6.6293 -6.6293 -4.7937 -4.7937 -4.7937 -4.7937 -4.5891 -4.5891 -4.5891 -4.5891 1.9013 1.9013 1.9013 1.9013 2.6894 2.6894 2.6894 2.6894 2.7352 2.7352 2.7352 2.7352 3.1510 3.1510 3.1510 3.1510 3.9364 3.9364 3.9364 3.9364 4.1307 4.1307 4.1307 4.1307 12.0672 12.0672 12.0672 12.0672 12.1453 12.1453 12.1453 12.1453 12.8107 12.8107 Writing output data file BaClF.save init_run : 0.33s CPU 0.48s WALL ( 1 calls) electrons : 198.39s CPU 201.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 198.38s CPU 201.24s 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 : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 321 calls) cegterg : 184.06s CPU 186.34s WALL ( 551 calls) Called by sum_band: Called by *egterg: h_psi : 95.82s CPU 97.66s WALL ( 7777 calls) s_psi : 7.78s CPU 7.82s WALL ( 7777 calls) g_psi : 0.33s CPU 0.36s WALL ( 6905 calls) cdiaghg : 64.57s CPU 65.02s WALL ( 7226 calls) cegterg:over : 9.14s CPU 9.31s WALL ( 6905 calls) cegterg:upda : 8.57s CPU 8.51s WALL ( 6905 calls) cegterg:last : 4.06s CPU 4.14s WALL ( 1193 calls) cdiaghg:chol : 3.81s CPU 3.73s WALL ( 7226 calls) cdiaghg:inve : 2.60s CPU 2.62s WALL ( 7226 calls) cdiaghg:para : 4.29s CPU 4.17s WALL ( 14452 calls) Called by h_psi: h_psi:vloc : 78.59s CPU 80.44s WALL ( 7777 calls) h_psi:vnl : 16.82s CPU 16.84s WALL ( 7777 calls) add_vuspsi : 8.72s CPU 8.72s WALL ( 7777 calls) General routines calbec : 8.09s CPU 8.10s WALL ( 7777 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.03s CPU 74.80s WALL ( 873348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.29s WALL ( 642 calls) Parallel routines fft_scatter : 28.98s CPU 29.74s WALL ( 873371 calls) PWSCF : 3m39.28s CPU 3m54.73s WALL This run was terminated on: 13:59:43 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=