Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 9:23 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: ./KLi2As.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 90 90 25 4964 4964 721 Max 91 91 26 4971 4971 724 Sum 3275 3275 905 178859 178859 26003 bravais-lattice index = 14 lattice parameter (alat) = 8.4244 a.u. unit-cell volume = 1266.6310 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.424398 celldm(2)= 1.406460 celldm(3)= 1.506281 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 1.406460 0.000000 ) a(3) = ( 0.000000 0.000000 1.506281 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.711005 -0.000000 ) b(3) = ( 0.000000 0.000000 0.663887 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) As 5.00 74.92160 As( 1.00) K 9.00 39.09830 K( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 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 = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 356 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0028090 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028090 k( 10) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0028090 k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0028090 k( 12) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0028090 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028090 k( 14) = ( 0.1805556 -0.0000000 -0.0000000), wk = 0.0028090 k( 15) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0028090 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028090 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0028090 k( 19) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0028090 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0028090 k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0028090 k( 23) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0028090 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0028090 k( 26) = ( 0.3472222 -0.0000000 -0.0000000), wk = 0.0028090 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0028090 k( 28) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0028090 k( 29) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0028090 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0028090 k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0028090 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028090 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0028090 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0028090 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0028090 k( 37) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028090 k( 38) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028090 k( 39) = ( 0.5000000 0.0136732 -0.0000000), wk = 0.0028090 k( 40) = ( 0.5000000 0.0273463 -0.0000000), wk = 0.0028090 k( 41) = ( 0.5000000 0.0410195 -0.0000000), wk = 0.0028090 k( 42) = ( 0.5000000 0.0546927 -0.0000000), wk = 0.0028090 k( 43) = ( 0.5000000 0.0683658 -0.0000000), wk = 0.0028090 k( 44) = ( 0.5000000 0.0820390 -0.0000000), wk = 0.0028090 k( 45) = ( 0.5000000 0.0957122 -0.0000000), wk = 0.0028090 k( 46) = ( 0.5000000 0.1093853 -0.0000000), wk = 0.0028090 k( 47) = ( 0.5000000 0.1230585 -0.0000000), wk = 0.0028090 k( 48) = ( 0.5000000 0.1367317 -0.0000000), wk = 0.0028090 k( 49) = ( 0.5000000 0.1504049 -0.0000000), wk = 0.0028090 k( 50) = ( 0.5000000 0.1640780 -0.0000000), wk = 0.0028090 k( 51) = ( 0.5000000 0.1777512 -0.0000000), wk = 0.0028090 k( 52) = ( 0.5000000 0.1914244 -0.0000000), wk = 0.0028090 k( 53) = ( 0.5000000 0.2050975 -0.0000000), wk = 0.0028090 k( 54) = ( 0.5000000 0.2187707 -0.0000000), wk = 0.0028090 k( 55) = ( 0.5000000 0.2324439 -0.0000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.2461170 -0.0000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.2597902 -0.0000000), wk = 0.0028090 k( 58) = ( 0.5000000 0.2734634 -0.0000000), wk = 0.0028090 k( 59) = ( 0.5000000 0.2871365 -0.0000000), wk = 0.0028090 k( 60) = ( 0.5000000 0.3008097 -0.0000000), wk = 0.0028090 k( 61) = ( 0.5000000 0.3144829 -0.0000000), wk = 0.0028090 k( 62) = ( 0.5000000 0.3281561 -0.0000000), wk = 0.0028090 k( 63) = ( 0.5000000 0.3418292 -0.0000000), wk = 0.0028090 k( 64) = ( 0.5000000 0.3555024 -0.0000000), wk = 0.0028090 k( 65) = ( 0.5000000 0.3555024 -0.0000000), wk = 0.0028090 k( 66) = ( 0.4861111 0.3555024 -0.0000000), wk = 0.0028090 k( 67) = ( 0.4722222 0.3555024 -0.0000000), wk = 0.0028090 k( 68) = ( 0.4583333 0.3555024 -0.0000000), wk = 0.0028090 k( 69) = ( 0.4444444 0.3555024 -0.0000000), wk = 0.0028090 k( 70) = ( 0.4305556 0.3555024 -0.0000000), wk = 0.0028090 k( 71) = ( 0.4166667 0.3555024 -0.0000000), wk = 0.0028090 k( 72) = ( 0.4027778 0.3555024 -0.0000000), wk = 0.0028090 k( 73) = ( 0.3888889 0.3555024 -0.0000000), wk = 0.0028090 k( 74) = ( 0.3750000 0.3555024 -0.0000000), wk = 0.0028090 k( 75) = ( 0.3611111 0.3555024 -0.0000000), wk = 0.0028090 k( 76) = ( 0.3472222 0.3555024 -0.0000000), wk = 0.0028090 k( 77) = ( 0.3333333 0.3555024 -0.0000000), wk = 0.0028090 k( 78) = ( 0.3194444 0.3555024 -0.0000000), wk = 0.0028090 k( 79) = ( 0.3055556 0.3555024 -0.0000000), wk = 0.0028090 k( 80) = ( 0.2916667 0.3555024 -0.0000000), wk = 0.0028090 k( 81) = ( 0.2777778 0.3555024 -0.0000000), wk = 0.0028090 k( 82) = ( 0.2638889 0.3555024 -0.0000000), wk = 0.0028090 k( 83) = ( 0.2500000 0.3555024 -0.0000000), wk = 0.0028090 k( 84) = ( 0.2361111 0.3555024 -0.0000000), wk = 0.0028090 k( 85) = ( 0.2222222 0.3555024 -0.0000000), wk = 0.0028090 k( 86) = ( 0.2083333 0.3555024 -0.0000000), wk = 0.0028090 k( 87) = ( 0.1944444 0.3555024 -0.0000000), wk = 0.0028090 k( 88) = ( 0.1805556 0.3555024 -0.0000000), wk = 0.0028090 k( 89) = ( 0.1666667 0.3555024 -0.0000000), wk = 0.0028090 k( 90) = ( 0.1527778 0.3555024 -0.0000000), wk = 0.0028090 k( 91) = ( 0.1388889 0.3555024 -0.0000000), wk = 0.0028090 k( 92) = ( 0.1250000 0.3555024 -0.0000000), wk = 0.0028090 k( 93) = ( 0.1111111 0.3555024 -0.0000000), wk = 0.0028090 k( 94) = ( 0.0972222 0.3555024 -0.0000000), wk = 0.0028090 k( 95) = ( 0.0833333 0.3555024 -0.0000000), wk = 0.0028090 k( 96) = ( 0.0694444 0.3555024 -0.0000000), wk = 0.0028090 k( 97) = ( 0.0555556 0.3555024 -0.0000000), wk = 0.0028090 k( 98) = ( 0.0416667 0.3555024 -0.0000000), wk = 0.0028090 k( 99) = ( 0.0277778 0.3555024 -0.0000000), wk = 0.0028090 k( 100) = ( 0.0138889 0.3555024 -0.0000000), wk = 0.0028090 k( 101) = ( 0.0000000 0.3555024 -0.0000000), wk = 0.0028090 k( 102) = ( 0.0000000 0.3555024 -0.0000000), wk = 0.0028090 k( 103) = ( 0.0000000 0.3418292 -0.0000000), wk = 0.0028090 k( 104) = ( 0.0000000 0.3281561 -0.0000000), wk = 0.0028090 k( 105) = ( 0.0000000 0.3144829 -0.0000000), wk = 0.0028090 k( 106) = ( 0.0000000 0.3008097 -0.0000000), wk = 0.0028090 k( 107) = ( 0.0000000 0.2871365 -0.0000000), wk = 0.0028090 k( 108) = ( 0.0000000 0.2734634 -0.0000000), wk = 0.0028090 k( 109) = ( 0.0000000 0.2597902 -0.0000000), wk = 0.0028090 k( 110) = ( 0.0000000 0.2461170 -0.0000000), wk = 0.0028090 k( 111) = ( 0.0000000 0.2324439 -0.0000000), wk = 0.0028090 k( 112) = ( 0.0000000 0.2187707 -0.0000000), wk = 0.0028090 k( 113) = ( 0.0000000 0.2050975 -0.0000000), wk = 0.0028090 k( 114) = ( 0.0000000 0.1914244 -0.0000000), wk = 0.0028090 k( 115) = ( 0.0000000 0.1777512 -0.0000000), wk = 0.0028090 k( 116) = ( 0.0000000 0.1640780 -0.0000000), wk = 0.0028090 k( 117) = ( 0.0000000 0.1504049 -0.0000000), wk = 0.0028090 k( 118) = ( 0.0000000 0.1367317 -0.0000000), wk = 0.0028090 k( 119) = ( 0.0000000 0.1230585 -0.0000000), wk = 0.0028090 k( 120) = ( 0.0000000 0.1093853 -0.0000000), wk = 0.0028090 k( 121) = ( 0.0000000 0.0957122 -0.0000000), wk = 0.0028090 k( 122) = ( 0.0000000 0.0820390 -0.0000000), wk = 0.0028090 k( 123) = ( 0.0000000 0.0683658 -0.0000000), wk = 0.0028090 k( 124) = ( 0.0000000 0.0546927 -0.0000000), wk = 0.0028090 k( 125) = ( 0.0000000 0.0410195 -0.0000000), wk = 0.0028090 k( 126) = ( 0.0000000 0.0273463 -0.0000000), wk = 0.0028090 k( 127) = ( 0.0000000 0.0136732 -0.0000000), wk = 0.0028090 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 130) = ( 0.0000000 0.0000000 0.0138310), wk = 0.0028090 k( 131) = ( 0.0000000 0.0000000 0.0276620), wk = 0.0028090 k( 132) = ( 0.0000000 0.0000000 0.0414929), wk = 0.0028090 k( 133) = ( 0.0000000 0.0000000 0.0553239), wk = 0.0028090 k( 134) = ( 0.0000000 0.0000000 0.0691549), wk = 0.0028090 k( 135) = ( 0.0000000 0.0000000 0.0829859), wk = 0.0028090 k( 136) = ( 0.0000000 0.0000000 0.0968168), wk = 0.0028090 k( 137) = ( 0.0000000 0.0000000 0.1106478), wk = 0.0028090 k( 138) = ( 0.0000000 0.0000000 0.1244788), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.1383098), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.1521407), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.1659717), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.1798027), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.1936337), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.2074646), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.2212956), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.2351266), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.2489576), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.2627885), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.2766195), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.2904505), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.3042815), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.3181124), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.3319434), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.3319434), wk = 0.0028090 k( 155) = ( 0.0138889 -0.0000000 0.3319434), wk = 0.0028090 k( 156) = ( 0.0277778 -0.0000000 0.3319434), wk = 0.0028090 k( 157) = ( 0.0416667 -0.0000000 0.3319434), wk = 0.0028090 k( 158) = ( 0.0555556 -0.0000000 0.3319434), wk = 0.0028090 k( 159) = ( 0.0694444 -0.0000000 0.3319434), wk = 0.0028090 k( 160) = ( 0.0833333 -0.0000000 0.3319434), wk = 0.0028090 k( 161) = ( 0.0972222 -0.0000000 0.3319434), wk = 0.0028090 k( 162) = ( 0.1111111 -0.0000000 0.3319434), wk = 0.0028090 k( 163) = ( 0.1250000 -0.0000000 0.3319434), wk = 0.0028090 k( 164) = ( 0.1388889 -0.0000000 0.3319434), wk = 0.0028090 k( 165) = ( 0.1527778 -0.0000000 0.3319434), wk = 0.0028090 k( 166) = ( 0.1666667 -0.0000000 0.3319434), wk = 0.0028090 k( 167) = ( 0.1805556 -0.0000000 0.3319434), wk = 0.0028090 k( 168) = ( 0.1944444 -0.0000000 0.3319434), wk = 0.0028090 k( 169) = ( 0.2083333 -0.0000000 0.3319434), wk = 0.0028090 k( 170) = ( 0.2222222 -0.0000000 0.3319434), wk = 0.0028090 k( 171) = ( 0.2361111 -0.0000000 0.3319434), wk = 0.0028090 k( 172) = ( 0.2500000 -0.0000000 0.3319434), wk = 0.0028090 k( 173) = ( 0.2638889 -0.0000000 0.3319434), wk = 0.0028090 k( 174) = ( 0.2777778 -0.0000000 0.3319434), wk = 0.0028090 k( 175) = ( 0.2916667 -0.0000000 0.3319434), wk = 0.0028090 k( 176) = ( 0.3055556 -0.0000000 0.3319434), wk = 0.0028090 k( 177) = ( 0.3194444 -0.0000000 0.3319434), wk = 0.0028090 k( 178) = ( 0.3333333 -0.0000000 0.3319434), wk = 0.0028090 k( 179) = ( 0.3472222 -0.0000000 0.3319434), wk = 0.0028090 k( 180) = ( 0.3611111 -0.0000000 0.3319434), wk = 0.0028090 k( 181) = ( 0.3750000 -0.0000000 0.3319434), wk = 0.0028090 k( 182) = ( 0.3888889 -0.0000000 0.3319434), wk = 0.0028090 k( 183) = ( 0.4027778 -0.0000000 0.3319434), wk = 0.0028090 k( 184) = ( 0.4166667 -0.0000000 0.3319434), wk = 0.0028090 k( 185) = ( 0.4305556 -0.0000000 0.3319434), wk = 0.0028090 k( 186) = ( 0.4444444 -0.0000000 0.3319434), wk = 0.0028090 k( 187) = ( 0.4583333 -0.0000000 0.3319434), wk = 0.0028090 k( 188) = ( 0.4722222 -0.0000000 0.3319434), wk = 0.0028090 k( 189) = ( 0.4861111 -0.0000000 0.3319434), wk = 0.0028090 k( 190) = ( 0.5000000 -0.0000000 0.3319434), wk = 0.0028090 k( 191) = ( 0.5000000 -0.0000000 0.3319434), wk = 0.0028090 k( 192) = ( 0.5000000 0.0136732 0.3319434), wk = 0.0028090 k( 193) = ( 0.5000000 0.0273463 0.3319434), wk = 0.0028090 k( 194) = ( 0.5000000 0.0410195 0.3319434), wk = 0.0028090 k( 195) = ( 0.5000000 0.0546927 0.3319434), wk = 0.0028090 k( 196) = ( 0.5000000 0.0683658 0.3319434), wk = 0.0028090 k( 197) = ( 0.5000000 0.0820390 0.3319434), wk = 0.0028090 k( 198) = ( 0.5000000 0.0957122 0.3319434), wk = 0.0028090 k( 199) = ( 0.5000000 0.1093853 0.3319434), wk = 0.0028090 k( 200) = ( 0.5000000 0.1230585 0.3319434), wk = 0.0028090 k( 201) = ( 0.5000000 0.1367317 0.3319434), wk = 0.0028090 k( 202) = ( 0.5000000 0.1504049 0.3319434), wk = 0.0028090 k( 203) = ( 0.5000000 0.1640780 0.3319434), wk = 0.0028090 k( 204) = ( 0.5000000 0.1777512 0.3319434), wk = 0.0028090 k( 205) = ( 0.5000000 0.1914244 0.3319434), wk = 0.0028090 k( 206) = ( 0.5000000 0.2050975 0.3319434), wk = 0.0028090 k( 207) = ( 0.5000000 0.2187707 0.3319434), wk = 0.0028090 k( 208) = ( 0.5000000 0.2324439 0.3319434), wk = 0.0028090 k( 209) = ( 0.5000000 0.2461170 0.3319434), wk = 0.0028090 k( 210) = ( 0.5000000 0.2597902 0.3319434), wk = 0.0028090 k( 211) = ( 0.5000000 0.2734634 0.3319434), wk = 0.0028090 k( 212) = ( 0.5000000 0.2871365 0.3319434), wk = 0.0028090 k( 213) = ( 0.5000000 0.3008097 0.3319434), wk = 0.0028090 k( 214) = ( 0.5000000 0.3144829 0.3319434), wk = 0.0028090 k( 215) = ( 0.5000000 0.3281561 0.3319434), wk = 0.0028090 k( 216) = ( 0.5000000 0.3418292 0.3319434), wk = 0.0028090 k( 217) = ( 0.5000000 0.3555024 0.3319434), wk = 0.0028090 k( 218) = ( 0.5000000 0.3555024 0.3319434), wk = 0.0028090 k( 219) = ( 0.4861111 0.3555024 0.3319434), wk = 0.0028090 k( 220) = ( 0.4722222 0.3555024 0.3319434), wk = 0.0028090 k( 221) = ( 0.4583333 0.3555024 0.3319434), wk = 0.0028090 k( 222) = ( 0.4444444 0.3555024 0.3319434), wk = 0.0028090 k( 223) = ( 0.4305556 0.3555024 0.3319434), wk = 0.0028090 k( 224) = ( 0.4166667 0.3555024 0.3319434), wk = 0.0028090 k( 225) = ( 0.4027778 0.3555024 0.3319434), wk = 0.0028090 k( 226) = ( 0.3888889 0.3555024 0.3319434), wk = 0.0028090 k( 227) = ( 0.3750000 0.3555024 0.3319434), wk = 0.0028090 k( 228) = ( 0.3611111 0.3555024 0.3319434), wk = 0.0028090 k( 229) = ( 0.3472222 0.3555024 0.3319434), wk = 0.0028090 k( 230) = ( 0.3333333 0.3555024 0.3319434), wk = 0.0028090 k( 231) = ( 0.3194444 0.3555024 0.3319434), wk = 0.0028090 k( 232) = ( 0.3055556 0.3555024 0.3319434), wk = 0.0028090 k( 233) = ( 0.2916667 0.3555024 0.3319434), wk = 0.0028090 k( 234) = ( 0.2777778 0.3555024 0.3319434), wk = 0.0028090 k( 235) = ( 0.2638889 0.3555024 0.3319434), wk = 0.0028090 k( 236) = ( 0.2500000 0.3555024 0.3319434), wk = 0.0028090 k( 237) = ( 0.2361111 0.3555024 0.3319434), wk = 0.0028090 k( 238) = ( 0.2222222 0.3555024 0.3319434), wk = 0.0028090 k( 239) = ( 0.2083333 0.3555024 0.3319434), wk = 0.0028090 k( 240) = ( 0.1944444 0.3555024 0.3319434), wk = 0.0028090 k( 241) = ( 0.1805556 0.3555024 0.3319434), wk = 0.0028090 k( 242) = ( 0.1666667 0.3555024 0.3319434), wk = 0.0028090 k( 243) = ( 0.1527778 0.3555024 0.3319434), wk = 0.0028090 k( 244) = ( 0.1388889 0.3555024 0.3319434), wk = 0.0028090 k( 245) = ( 0.1250000 0.3555024 0.3319434), wk = 0.0028090 k( 246) = ( 0.1111111 0.3555024 0.3319434), wk = 0.0028090 k( 247) = ( 0.0972222 0.3555024 0.3319434), wk = 0.0028090 k( 248) = ( 0.0833333 0.3555024 0.3319434), wk = 0.0028090 k( 249) = ( 0.0694444 0.3555024 0.3319434), wk = 0.0028090 k( 250) = ( 0.0555556 0.3555024 0.3319434), wk = 0.0028090 k( 251) = ( 0.0416667 0.3555024 0.3319434), wk = 0.0028090 k( 252) = ( 0.0277778 0.3555024 0.3319434), wk = 0.0028090 k( 253) = ( 0.0138889 0.3555024 0.3319434), wk = 0.0028090 k( 254) = ( 0.0000000 0.3555024 0.3319434), wk = 0.0028090 k( 255) = ( 0.0000000 0.3555024 0.3319434), wk = 0.0028090 k( 256) = ( 0.0000000 0.3418292 0.3319434), wk = 0.0028090 k( 257) = ( 0.0000000 0.3281561 0.3319434), wk = 0.0028090 k( 258) = ( 0.0000000 0.3144829 0.3319434), wk = 0.0028090 k( 259) = ( 0.0000000 0.3008097 0.3319434), wk = 0.0028090 k( 260) = ( 0.0000000 0.2871365 0.3319434), wk = 0.0028090 k( 261) = ( 0.0000000 0.2734634 0.3319434), wk = 0.0028090 k( 262) = ( 0.0000000 0.2597902 0.3319434), wk = 0.0028090 k( 263) = ( 0.0000000 0.2461170 0.3319434), wk = 0.0028090 k( 264) = ( 0.0000000 0.2324439 0.3319434), wk = 0.0028090 k( 265) = ( 0.0000000 0.2187707 0.3319434), wk = 0.0028090 k( 266) = ( 0.0000000 0.2050975 0.3319434), wk = 0.0028090 k( 267) = ( 0.0000000 0.1914244 0.3319434), wk = 0.0028090 k( 268) = ( 0.0000000 0.1777512 0.3319434), wk = 0.0028090 k( 269) = ( 0.0000000 0.1640780 0.3319434), wk = 0.0028090 k( 270) = ( 0.0000000 0.1504049 0.3319434), wk = 0.0028090 k( 271) = ( 0.0000000 0.1367317 0.3319434), wk = 0.0028090 k( 272) = ( 0.0000000 0.1230585 0.3319434), wk = 0.0028090 k( 273) = ( 0.0000000 0.1093853 0.3319434), wk = 0.0028090 k( 274) = ( 0.0000000 0.0957122 0.3319434), wk = 0.0028090 k( 275) = ( 0.0000000 0.0820390 0.3319434), wk = 0.0028090 k( 276) = ( 0.0000000 0.0683658 0.3319434), wk = 0.0028090 k( 277) = ( 0.0000000 0.0546927 0.3319434), wk = 0.0028090 k( 278) = ( 0.0000000 0.0410195 0.3319434), wk = 0.0028090 k( 279) = ( 0.0000000 0.0273463 0.3319434), wk = 0.0028090 k( 280) = ( 0.0000000 0.0136732 0.3319434), wk = 0.0028090 k( 281) = ( 0.0000000 0.0000000 0.3319434), wk = 0.0028090 k( 282) = ( 0.0000000 0.3555024 -0.0000000), wk = 0.0028090 k( 283) = ( 0.0000000 0.3555024 0.0138310), wk = 0.0028090 k( 284) = ( 0.0000000 0.3555024 0.0276620), wk = 0.0028090 k( 285) = ( 0.0000000 0.3555024 0.0414929), wk = 0.0028090 k( 286) = ( 0.0000000 0.3555024 0.0553239), wk = 0.0028090 k( 287) = ( 0.0000000 0.3555024 0.0691549), wk = 0.0028090 k( 288) = ( 0.0000000 0.3555024 0.0829859), wk = 0.0028090 k( 289) = ( 0.0000000 0.3555024 0.0968168), wk = 0.0028090 k( 290) = ( 0.0000000 0.3555024 0.1106478), wk = 0.0028090 k( 291) = ( 0.0000000 0.3555024 0.1244788), wk = 0.0028090 k( 292) = ( 0.0000000 0.3555024 0.1383098), wk = 0.0028090 k( 293) = ( 0.0000000 0.3555024 0.1521407), wk = 0.0028090 k( 294) = ( 0.0000000 0.3555024 0.1659717), wk = 0.0028090 k( 295) = ( 0.0000000 0.3555024 0.1798027), wk = 0.0028090 k( 296) = ( 0.0000000 0.3555024 0.1936337), wk = 0.0028090 k( 297) = ( 0.0000000 0.3555024 0.2074646), wk = 0.0028090 k( 298) = ( 0.0000000 0.3555024 0.2212956), wk = 0.0028090 k( 299) = ( 0.0000000 0.3555024 0.2351266), wk = 0.0028090 k( 300) = ( 0.0000000 0.3555024 0.2489576), wk = 0.0028090 k( 301) = ( 0.0000000 0.3555024 0.2627885), wk = 0.0028090 k( 302) = ( 0.0000000 0.3555024 0.2766195), wk = 0.0028090 k( 303) = ( 0.0000000 0.3555024 0.2904505), wk = 0.0028090 k( 304) = ( 0.0000000 0.3555024 0.3042815), wk = 0.0028090 k( 305) = ( 0.0000000 0.3555024 0.3181124), wk = 0.0028090 k( 306) = ( 0.0000000 0.3555024 0.3319434), wk = 0.0028090 k( 307) = ( 0.5000000 -0.0000000 0.3319434), wk = 0.0028090 k( 308) = ( 0.5000000 -0.0000000 0.3181124), wk = 0.0028090 k( 309) = ( 0.5000000 -0.0000000 0.3042815), wk = 0.0028090 k( 310) = ( 0.5000000 -0.0000000 0.2904505), wk = 0.0028090 k( 311) = ( 0.5000000 -0.0000000 0.2766195), wk = 0.0028090 k( 312) = ( 0.5000000 -0.0000000 0.2627885), wk = 0.0028090 k( 313) = ( 0.5000000 -0.0000000 0.2489576), wk = 0.0028090 k( 314) = ( 0.5000000 -0.0000000 0.2351266), wk = 0.0028090 k( 315) = ( 0.5000000 -0.0000000 0.2212956), wk = 0.0028090 k( 316) = ( 0.5000000 -0.0000000 0.2074646), wk = 0.0028090 k( 317) = ( 0.5000000 -0.0000000 0.1936337), wk = 0.0028090 k( 318) = ( 0.5000000 -0.0000000 0.1798027), wk = 0.0028090 k( 319) = ( 0.5000000 -0.0000000 0.1659717), wk = 0.0028090 k( 320) = ( 0.5000000 -0.0000000 0.1521407), wk = 0.0028090 k( 321) = ( 0.5000000 -0.0000000 0.1383098), wk = 0.0028090 k( 322) = ( 0.5000000 -0.0000000 0.1244788), wk = 0.0028090 k( 323) = ( 0.5000000 -0.0000000 0.1106478), wk = 0.0028090 k( 324) = ( 0.5000000 -0.0000000 0.0968168), wk = 0.0028090 k( 325) = ( 0.5000000 -0.0000000 0.0829859), wk = 0.0028090 k( 326) = ( 0.5000000 -0.0000000 0.0691549), wk = 0.0028090 k( 327) = ( 0.5000000 -0.0000000 0.0553239), wk = 0.0028090 k( 328) = ( 0.5000000 -0.0000000 0.0414929), wk = 0.0028090 k( 329) = ( 0.5000000 -0.0000000 0.0276620), wk = 0.0028090 k( 330) = ( 0.5000000 -0.0000000 0.0138310), wk = 0.0028090 k( 331) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.3555024 -0.0000000), wk = 0.0028090 k( 333) = ( 0.5000000 0.3555024 0.0138310), wk = 0.0028090 k( 334) = ( 0.5000000 0.3555024 0.0276620), wk = 0.0028090 k( 335) = ( 0.5000000 0.3555024 0.0414929), wk = 0.0028090 k( 336) = ( 0.5000000 0.3555024 0.0553239), wk = 0.0028090 k( 337) = ( 0.5000000 0.3555024 0.0691549), wk = 0.0028090 k( 338) = ( 0.5000000 0.3555024 0.0829859), wk = 0.0028090 k( 339) = ( 0.5000000 0.3555024 0.0968168), wk = 0.0028090 k( 340) = ( 0.5000000 0.3555024 0.1106478), wk = 0.0028090 k( 341) = ( 0.5000000 0.3555024 0.1244788), wk = 0.0028090 k( 342) = ( 0.5000000 0.3555024 0.1383098), wk = 0.0028090 k( 343) = ( 0.5000000 0.3555024 0.1521407), wk = 0.0028090 k( 344) = ( 0.5000000 0.3555024 0.1659717), wk = 0.0028090 k( 345) = ( 0.5000000 0.3555024 0.1798027), wk = 0.0028090 k( 346) = ( 0.5000000 0.3555024 0.1936337), wk = 0.0028090 k( 347) = ( 0.5000000 0.3555024 0.2074646), wk = 0.0028090 k( 348) = ( 0.5000000 0.3555024 0.2212956), wk = 0.0028090 k( 349) = ( 0.5000000 0.3555024 0.2351266), wk = 0.0028090 k( 350) = ( 0.5000000 0.3555024 0.2489576), wk = 0.0028090 k( 351) = ( 0.5000000 0.3555024 0.2627885), wk = 0.0028090 k( 352) = ( 0.5000000 0.3555024 0.2766195), wk = 0.0028090 k( 353) = ( 0.5000000 0.3555024 0.2904505), wk = 0.0028090 k( 354) = ( 0.5000000 0.3555024 0.3042815), wk = 0.0028090 k( 355) = ( 0.5000000 0.3555024 0.3181124), wk = 0.0028090 k( 356) = ( 0.5000000 0.3555024 0.3319434), wk = 0.0028090 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0028090 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0028090 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0028090 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0028090 k( 6) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0028090 k( 7) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0028090 k( 8) = ( 0.0972222 0.0000000 -0.0000000), wk = 0.0028090 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0028090 k( 10) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028090 k( 11) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0028090 k( 12) = ( 0.1527778 0.0000000 0.0000000), wk = 0.0028090 k( 13) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0028090 k( 14) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0028090 k( 15) = ( 0.1944444 0.0000000 -0.0000000), wk = 0.0028090 k( 16) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0028090 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0028090 k( 18) = ( 0.2361111 0.0000000 -0.0000000), wk = 0.0028090 k( 19) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028090 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0028090 k( 21) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0028090 k( 22) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0028090 k( 23) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0028090 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0028090 k( 25) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0028090 k( 26) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0028090 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0028090 k( 28) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028090 k( 29) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0028090 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0028090 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0028090 k( 32) = ( 0.4305556 0.0000000 -0.0000000), wk = 0.0028090 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0028090 k( 34) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0028090 k( 35) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0028090 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0028090 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028090 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028090 k( 39) = ( 0.5000000 0.0192308 -0.0000000), wk = 0.0028090 k( 40) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0028090 k( 41) = ( 0.5000000 0.0576923 -0.0000000), wk = 0.0028090 k( 42) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0028090 k( 43) = ( 0.5000000 0.0961538 -0.0000000), wk = 0.0028090 k( 44) = ( 0.5000000 0.1153846 -0.0000000), wk = 0.0028090 k( 45) = ( 0.5000000 0.1346154 0.0000000), wk = 0.0028090 k( 46) = ( 0.5000000 0.1538462 -0.0000000), wk = 0.0028090 k( 47) = ( 0.5000000 0.1730769 -0.0000000), wk = 0.0028090 k( 48) = ( 0.5000000 0.1923077 -0.0000000), wk = 0.0028090 k( 49) = ( 0.5000000 0.2115385 -0.0000000), wk = 0.0028090 k( 50) = ( 0.5000000 0.2307692 -0.0000000), wk = 0.0028090 k( 51) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0028090 k( 52) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0028090 k( 53) = ( 0.5000000 0.2884615 -0.0000000), wk = 0.0028090 k( 54) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0028090 k( 55) = ( 0.5000000 0.3269231 -0.0000000), wk = 0.0028090 k( 56) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0028090 k( 57) = ( 0.5000000 0.3653846 0.0000000), wk = 0.0028090 k( 58) = ( 0.5000000 0.3846154 -0.0000000), wk = 0.0028090 k( 59) = ( 0.5000000 0.4038462 -0.0000000), wk = 0.0028090 k( 60) = ( 0.5000000 0.4230769 -0.0000000), wk = 0.0028090 k( 61) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0028090 k( 62) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0028090 k( 63) = ( 0.5000000 0.4807692 0.0000000), wk = 0.0028090 k( 64) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 65) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 66) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0028090 k( 67) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0028090 k( 68) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0028090 k( 69) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0028090 k( 70) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0028090 k( 71) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0028090 k( 72) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0028090 k( 73) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0028090 k( 74) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0028090 k( 75) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0028090 k( 76) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0028090 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028090 k( 78) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0028090 k( 79) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0028090 k( 80) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0028090 k( 81) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0028090 k( 82) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0028090 k( 83) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0028090 k( 84) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0028090 k( 85) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0028090 k( 86) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0028090 k( 87) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0028090 k( 88) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0028090 k( 89) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028090 k( 90) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0028090 k( 91) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0028090 k( 92) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0028090 k( 93) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0028090 k( 94) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0028090 k( 95) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0028090 k( 96) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0028090 k( 97) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0028090 k( 98) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0028090 k( 99) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0028090 k( 100) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0028090 k( 101) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 102) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 103) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0028090 k( 104) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0028090 k( 105) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0028090 k( 106) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0028090 k( 107) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0028090 k( 108) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0028090 k( 109) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0028090 k( 110) = ( 0.0000000 0.3461539 -0.0000000), wk = 0.0028090 k( 111) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0028090 k( 112) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0028090 k( 113) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0028090 k( 114) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0028090 k( 115) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0028090 k( 116) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0028090 k( 117) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0028090 k( 118) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0028090 k( 119) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0028090 k( 120) = ( 0.0000000 0.1538462 -0.0000000), wk = 0.0028090 k( 121) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0028090 k( 122) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0028090 k( 123) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0028090 k( 124) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0028090 k( 125) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0028090 k( 126) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0028090 k( 127) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0028090 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028090 k( 130) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0028090 k( 131) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0028090 k( 132) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028090 k( 133) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028090 k( 134) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0028090 k( 135) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028090 k( 136) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0028090 k( 137) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028090 k( 138) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028090 k( 139) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0028090 k( 140) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0028090 k( 141) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028090 k( 142) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0028090 k( 143) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0028090 k( 144) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028090 k( 145) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028090 k( 146) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0028090 k( 147) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028090 k( 148) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0028090 k( 149) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028090 k( 150) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028090 k( 151) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0028090 k( 152) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0028090 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 155) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0028090 k( 156) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0028090 k( 157) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0028090 k( 158) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0028090 k( 159) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0028090 k( 160) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0028090 k( 161) = ( 0.0972222 0.0000000 0.5000000), wk = 0.0028090 k( 162) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0028090 k( 163) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028090 k( 164) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0028090 k( 165) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0028090 k( 166) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028090 k( 167) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0028090 k( 168) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0028090 k( 169) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0028090 k( 170) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0028090 k( 171) = ( 0.2361111 0.0000000 0.5000000), wk = 0.0028090 k( 172) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028090 k( 173) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0028090 k( 174) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0028090 k( 175) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028090 k( 176) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0028090 k( 177) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0028090 k( 178) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0028090 k( 179) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0028090 k( 180) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0028090 k( 181) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028090 k( 182) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0028090 k( 183) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0028090 k( 184) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0028090 k( 185) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0028090 k( 186) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0028090 k( 187) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0028090 k( 188) = ( 0.4722222 0.0000000 0.5000000), wk = 0.0028090 k( 189) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0028090 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 192) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0028090 k( 193) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0028090 k( 194) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0028090 k( 195) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0028090 k( 196) = ( 0.5000000 0.0961538 0.5000000), wk = 0.0028090 k( 197) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0028090 k( 198) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0028090 k( 199) = ( 0.5000000 0.1538462 0.5000000), wk = 0.0028090 k( 200) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0028090 k( 201) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0028090 k( 202) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0028090 k( 203) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0028090 k( 204) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0028090 k( 205) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0028090 k( 206) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0028090 k( 207) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0028090 k( 208) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0028090 k( 209) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0028090 k( 210) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0028090 k( 211) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0028090 k( 212) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0028090 k( 213) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0028090 k( 214) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0028090 k( 215) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0028090 k( 216) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0028090 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 k( 219) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0028090 k( 220) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0028090 k( 221) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0028090 k( 222) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0028090 k( 223) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0028090 k( 224) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0028090 k( 225) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0028090 k( 226) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0028090 k( 227) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0028090 k( 228) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0028090 k( 229) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0028090 k( 230) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028090 k( 231) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0028090 k( 232) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0028090 k( 233) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0028090 k( 234) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0028090 k( 235) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0028090 k( 236) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0028090 k( 237) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0028090 k( 238) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0028090 k( 239) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0028090 k( 240) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0028090 k( 241) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0028090 k( 242) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028090 k( 243) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0028090 k( 244) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0028090 k( 245) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0028090 k( 246) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0028090 k( 247) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0028090 k( 248) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0028090 k( 249) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0028090 k( 250) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0028090 k( 251) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0028090 k( 252) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0028090 k( 253) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0028090 k( 254) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 255) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 256) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0028090 k( 257) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0028090 k( 258) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0028090 k( 259) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0028090 k( 260) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0028090 k( 261) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0028090 k( 262) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0028090 k( 263) = ( 0.0000000 0.3461539 0.5000000), wk = 0.0028090 k( 264) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0028090 k( 265) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0028090 k( 266) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0028090 k( 267) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0028090 k( 268) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0028090 k( 269) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0028090 k( 270) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0028090 k( 271) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0028090 k( 272) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0028090 k( 273) = ( 0.0000000 0.1538462 0.5000000), wk = 0.0028090 k( 274) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0028090 k( 275) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0028090 k( 276) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0028090 k( 277) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0028090 k( 278) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0028090 k( 279) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0028090 k( 280) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0028090 k( 281) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028090 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028090 k( 283) = ( 0.0000000 0.5000000 0.0208333), wk = 0.0028090 k( 284) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0028090 k( 285) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028090 k( 286) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028090 k( 287) = ( 0.0000000 0.5000000 0.1041667), wk = 0.0028090 k( 288) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028090 k( 289) = ( 0.0000000 0.5000000 0.1458333), wk = 0.0028090 k( 290) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028090 k( 291) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028090 k( 292) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0028090 k( 293) = ( 0.0000000 0.5000000 0.2291667), wk = 0.0028090 k( 294) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028090 k( 295) = ( 0.0000000 0.5000000 0.2708333), wk = 0.0028090 k( 296) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0028090 k( 297) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028090 k( 298) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028090 k( 299) = ( 0.0000000 0.5000000 0.3541667), wk = 0.0028090 k( 300) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028090 k( 301) = ( 0.0000000 0.5000000 0.3958333), wk = 0.0028090 k( 302) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028090 k( 303) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028090 k( 304) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0028090 k( 305) = ( 0.0000000 0.5000000 0.4791667), wk = 0.0028090 k( 306) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028090 k( 307) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028090 k( 308) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0028090 k( 309) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0028090 k( 310) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0028090 k( 311) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0028090 k( 312) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0028090 k( 313) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028090 k( 314) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0028090 k( 315) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0028090 k( 316) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0028090 k( 317) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0028090 k( 318) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0028090 k( 319) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028090 k( 320) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0028090 k( 321) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0028090 k( 322) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0028090 k( 323) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0028090 k( 324) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0028090 k( 325) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028090 k( 326) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0028090 k( 327) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0028090 k( 328) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0028090 k( 329) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0028090 k( 330) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0028090 k( 331) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028090 k( 332) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028090 k( 333) = ( 0.5000000 0.5000000 0.0208333), wk = 0.0028090 k( 334) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0028090 k( 335) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0028090 k( 336) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0028090 k( 337) = ( 0.5000000 0.5000000 0.1041667), wk = 0.0028090 k( 338) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0028090 k( 339) = ( 0.5000000 0.5000000 0.1458333), wk = 0.0028090 k( 340) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028090 k( 341) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0028090 k( 342) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0028090 k( 343) = ( 0.5000000 0.5000000 0.2291667), wk = 0.0028090 k( 344) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0028090 k( 345) = ( 0.5000000 0.5000000 0.2708333), wk = 0.0028090 k( 346) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0028090 k( 347) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0028090 k( 348) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028090 k( 349) = ( 0.5000000 0.5000000 0.3541667), wk = 0.0028090 k( 350) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0028090 k( 351) = ( 0.5000000 0.5000000 0.3958333), wk = 0.0028090 k( 352) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0028090 k( 353) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0028090 k( 354) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0028090 k( 355) = ( 0.5000000 0.5000000 0.4791667), wk = 0.0028090 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028090 Dense grid: 178859 G-vectors FFT dimensions: ( 60, 80, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.93 Mb ( 1268, 48) NL pseudopotentials 1.47 Mb ( 634, 152) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 4971) G-vector shells 0.02 Mb ( 2531) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.71 Mb ( 1268, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 152, 2, 48) The potential is recalculated from file : ./KLi2As.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.2 secs Computing kpt #: 9 total cpu time spent up to now is 13.5 secs Computing kpt #: 10 total cpu time spent up to now is 14.9 secs Computing kpt #: 11 total cpu time spent up to now is 16.4 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 19.4 secs Computing kpt #: 14 total cpu time spent up to now is 20.8 secs Computing kpt #: 15 total cpu time spent up to now is 22.3 secs Computing kpt #: 16 total cpu time spent up to now is 23.7 secs Computing kpt #: 17 total cpu time spent up to now is 25.1 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 28.0 secs Computing kpt #: 20 total cpu time spent up to now is 29.4 secs Computing kpt #: 21 total cpu time spent up to now is 30.8 secs Computing kpt #: 22 total cpu time spent up to now is 32.2 secs Computing kpt #: 23 total cpu time spent up to now is 33.7 secs Computing kpt #: 24 total cpu time spent up to now is 35.1 secs Computing kpt #: 25 total cpu time spent up to now is 36.5 secs Computing kpt #: 26 total cpu time spent up to now is 38.0 secs Computing kpt #: 27 total cpu time spent up to now is 39.5 secs Computing kpt #: 28 total cpu time spent up to now is 40.9 secs Computing kpt #: 29 total cpu time spent up to now is 42.6 secs Computing kpt #: 30 total cpu time spent up to now is 44.4 secs Computing kpt #: 31 total cpu time spent up to now is 45.9 secs Computing kpt #: 32 total cpu time spent up to now is 47.3 secs Computing kpt #: 33 total cpu time spent up to now is 48.8 secs Computing kpt #: 34 total cpu time spent up to now is 50.2 secs Computing kpt #: 35 total cpu time spent up to now is 51.7 secs Computing kpt #: 36 total cpu time spent up to now is 53.2 secs Computing kpt #: 37 total cpu time spent up to now is 54.4 secs Computing kpt #: 38 total cpu time spent up to now is 55.9 secs Computing kpt #: 39 total cpu time spent up to now is 57.1 secs Computing kpt #: 40 total cpu time spent up to now is 58.6 secs Computing kpt #: 41 total cpu time spent up to now is 59.9 secs Computing kpt #: 42 total cpu time spent up to now is 61.1 secs Computing kpt #: 43 total cpu time spent up to now is 62.4 secs Computing kpt #: 44 total cpu time spent up to now is 63.7 secs Computing kpt #: 45 total cpu time spent up to now is 65.1 secs Computing kpt #: 46 total cpu time spent up to now is 66.4 secs Computing kpt #: 47 total cpu time spent up to now is 67.7 secs Computing kpt #: 48 total cpu time spent up to now is 68.9 secs Computing kpt #: 49 total cpu time spent up to now is 70.2 secs Computing kpt #: 50 total cpu time spent up to now is 71.5 secs Computing kpt #: 51 total cpu time spent up to now is 72.8 secs Computing kpt #: 52 total cpu time spent up to now is 74.0 secs Computing kpt #: 53 total cpu time spent up to now is 75.3 secs Computing kpt #: 54 total cpu time spent up to now is 76.5 secs Computing kpt #: 55 total cpu time spent up to now is 77.8 secs Computing kpt #: 56 total cpu time spent up to now is 78.9 secs Computing kpt #: 57 total cpu time spent up to now is 80.1 secs Computing kpt #: 58 total cpu time spent up to now is 81.3 secs Computing kpt #: 59 total cpu time spent up to now is 82.4 secs Computing kpt #: 60 total cpu time spent up to now is 83.6 secs Computing kpt #: 61 total cpu time spent up to now is 84.7 secs Computing kpt #: 62 total cpu time spent up to now is 85.8 secs Computing kpt #: 63 total cpu time spent up to now is 87.0 secs Computing kpt #: 64 total cpu time spent up to now is 88.1 secs Computing kpt #: 65 total cpu time spent up to now is 89.2 secs Computing kpt #: 66 total cpu time spent up to now is 90.4 secs Computing kpt #: 67 total cpu time spent up to now is 91.5 secs Computing kpt #: 68 total cpu time spent up to now is 92.7 secs Computing kpt #: 69 total cpu time spent up to now is 93.9 secs Computing kpt #: 70 total cpu time spent up to now is 95.2 secs Computing kpt #: 71 total cpu time spent up to now is 96.4 secs Computing kpt #: 72 total cpu time spent up to now is 97.8 secs Computing kpt #: 73 total cpu time spent up to now is 99.2 secs Computing kpt #: 74 total cpu time spent up to now is 100.6 secs Computing kpt #: 75 total cpu time spent up to now is 102.0 secs Computing kpt #: 76 total cpu time spent up to now is 103.4 secs Computing kpt #: 77 total cpu time spent up to now is 104.9 secs Computing kpt #: 78 total cpu time spent up to now is 106.3 secs Computing kpt #: 79 total cpu time spent up to now is 109.8 secs Computing kpt #: 80 total cpu time spent up to now is 111.3 secs Computing kpt #: 81 total cpu time spent up to now is 112.8 secs Computing kpt #: 82 total cpu time spent up to now is 114.2 secs Computing kpt #: 83 total cpu time spent up to now is 115.6 secs Computing kpt #: 84 total cpu time spent up to now is 117.1 secs Computing kpt #: 85 total cpu time spent up to now is 118.6 secs Computing kpt #: 86 total cpu time spent up to now is 120.0 secs Computing kpt #: 87 total cpu time spent up to now is 121.6 secs Computing kpt #: 88 total cpu time spent up to now is 123.1 secs Computing kpt #: 89 total cpu time spent up to now is 124.6 secs Computing kpt #: 90 total cpu time spent up to now is 125.9 secs Computing kpt #: 91 total cpu time spent up to now is 127.2 secs Computing kpt #: 92 total cpu time spent up to now is 128.5 secs Computing kpt #: 93 total cpu time spent up to now is 129.7 secs Computing kpt #: 94 total cpu time spent up to now is 130.9 secs Computing kpt #: 95 total cpu time spent up to now is 132.2 secs Computing kpt #: 96 total cpu time spent up to now is 133.4 secs Computing kpt #: 97 total cpu time spent up to now is 134.6 secs Computing kpt #: 98 total cpu time spent up to now is 135.8 secs Computing kpt #: 99 total cpu time spent up to now is 137.0 secs Computing kpt #: 100 total cpu time spent up to now is 138.3 secs Computing kpt #: 101 total cpu time spent up to now is 139.5 secs Computing kpt #: 102 total cpu time spent up to now is 140.7 secs Computing kpt #: 103 total cpu time spent up to now is 141.9 secs Computing kpt #: 104 total cpu time spent up to now is 143.1 secs Computing kpt #: 105 total cpu time spent up to now is 144.3 secs Computing kpt #: 106 total cpu time spent up to now is 145.5 secs Computing kpt #: 107 total cpu time spent up to now is 146.8 secs Computing kpt #: 108 total cpu time spent up to now is 148.0 secs Computing kpt #: 109 total cpu time spent up to now is 149.2 secs Computing kpt #: 110 total cpu time spent up to now is 150.4 secs Computing kpt #: 111 total cpu time spent up to now is 151.6 secs Computing kpt #: 112 total cpu time spent up to now is 152.8 secs Computing kpt #: 113 total cpu time spent up to now is 154.0 secs Computing kpt #: 114 total cpu time spent up to now is 155.2 secs Computing kpt #: 115 total cpu time spent up to now is 156.5 secs Computing kpt #: 116 total cpu time spent up to now is 157.7 secs Computing kpt #: 117 total cpu time spent up to now is 158.9 secs Computing kpt #: 118 total cpu time spent up to now is 160.1 secs Computing kpt #: 119 total cpu time spent up to now is 161.3 secs Computing kpt #: 120 total cpu time spent up to now is 162.6 secs Computing kpt #: 121 total cpu time spent up to now is 163.8 secs Computing kpt #: 122 total cpu time spent up to now is 165.0 secs Computing kpt #: 123 total cpu time spent up to now is 166.2 secs Computing kpt #: 124 total cpu time spent up to now is 167.4 secs Computing kpt #: 125 total cpu time spent up to now is 168.6 secs Computing kpt #: 126 total cpu time spent up to now is 169.8 secs Computing kpt #: 127 total cpu time spent up to now is 171.0 secs Computing kpt #: 128 total cpu time spent up to now is 172.2 secs Computing kpt #: 129 total cpu time spent up to now is 173.6 secs Computing kpt #: 130 total cpu time spent up to now is 175.0 secs Computing kpt #: 131 total cpu time spent up to now is 176.4 secs Computing kpt #: 132 total cpu time spent up to now is 177.8 secs Computing kpt #: 133 total cpu time spent up to now is 179.3 secs Computing kpt #: 134 total cpu time spent up to now is 180.8 secs Computing kpt #: 135 total cpu time spent up to now is 182.3 secs Computing kpt #: 136 total cpu time spent up to now is 183.9 secs Computing kpt #: 137 total cpu time spent up to now is 185.3 secs Computing kpt #: 138 total cpu time spent up to now is 186.7 secs Computing kpt #: 139 total cpu time spent up to now is 188.1 secs Computing kpt #: 140 total cpu time spent up to now is 189.5 secs Computing kpt #: 141 total cpu time spent up to now is 190.7 secs Computing kpt #: 142 total cpu time spent up to now is 191.9 secs Computing kpt #: 143 total cpu time spent up to now is 193.1 secs Computing kpt #: 144 total cpu time spent up to now is 194.3 secs Computing kpt #: 145 total cpu time spent up to now is 195.5 secs Computing kpt #: 146 total cpu time spent up to now is 196.7 secs Computing kpt #: 147 total cpu time spent up to now is 197.9 secs Computing kpt #: 148 total cpu time spent up to now is 199.1 secs Computing kpt #: 149 total cpu time spent up to now is 200.3 secs Computing kpt #: 150 total cpu time spent up to now is 201.6 secs Computing kpt #: 151 total cpu time spent up to now is 203.0 secs Computing kpt #: 152 total cpu time spent up to now is 204.3 secs Computing kpt #: 153 total cpu time spent up to now is 205.5 secs Computing kpt #: 154 total cpu time spent up to now is 206.8 secs Computing kpt #: 155 total cpu time spent up to now is 208.1 secs Computing kpt #: 156 total cpu time spent up to now is 209.5 secs Computing kpt #: 157 total cpu time spent up to now is 210.9 secs Computing kpt #: 158 total cpu time spent up to now is 212.4 secs Computing kpt #: 159 total cpu time spent up to now is 213.8 secs Computing kpt #: 160 total cpu time spent up to now is 215.3 secs Computing kpt #: 161 total cpu time spent up to now is 216.7 secs Computing kpt #: 162 total cpu time spent up to now is 218.1 secs Computing kpt #: 163 total cpu time spent up to now is 219.6 secs Computing kpt #: 164 total cpu time spent up to now is 221.0 secs Computing kpt #: 165 total cpu time spent up to now is 222.5 secs Computing kpt #: 166 total cpu time spent up to now is 223.9 secs Computing kpt #: 167 total cpu time spent up to now is 225.2 secs Computing kpt #: 168 total cpu time spent up to now is 226.4 secs Computing kpt #: 169 total cpu time spent up to now is 227.6 secs Computing kpt #: 170 total cpu time spent up to now is 228.9 secs Computing kpt #: 171 total cpu time spent up to now is 230.1 secs Computing kpt #: 172 total cpu time spent up to now is 231.4 secs Computing kpt #: 173 total cpu time spent up to now is 232.6 secs Computing kpt #: 174 total cpu time spent up to now is 233.8 secs Computing kpt #: 175 total cpu time spent up to now is 235.0 secs Computing kpt #: 176 total cpu time spent up to now is 236.2 secs Computing kpt #: 177 total cpu time spent up to now is 237.4 secs Computing kpt #: 178 total cpu time spent up to now is 238.6 secs Computing kpt #: 179 total cpu time spent up to now is 239.8 secs Computing kpt #: 180 total cpu time spent up to now is 241.0 secs Computing kpt #: 181 total cpu time spent up to now is 242.2 secs Computing kpt #: 182 total cpu time spent up to now is 243.3 secs Computing kpt #: 183 total cpu time spent up to now is 244.5 secs Computing kpt #: 184 total cpu time spent up to now is 245.7 secs Computing kpt #: 185 total cpu time spent up to now is 246.9 secs Computing kpt #: 186 total cpu time spent up to now is 248.0 secs Computing kpt #: 187 total cpu time spent up to now is 249.2 secs Computing kpt #: 188 total cpu time spent up to now is 250.4 secs Computing kpt #: 189 total cpu time spent up to now is 251.5 secs Computing kpt #: 190 total cpu time spent up to now is 252.7 secs Computing kpt #: 191 total cpu time spent up to now is 253.8 secs Computing kpt #: 192 total cpu time spent up to now is 255.0 secs Computing kpt #: 193 total cpu time spent up to now is 256.2 secs Computing kpt #: 194 total cpu time spent up to now is 257.3 secs Computing kpt #: 195 total cpu time spent up to now is 258.5 secs Computing kpt #: 196 total cpu time spent up to now is 259.7 secs Computing kpt #: 197 total cpu time spent up to now is 260.8 secs Computing kpt #: 198 total cpu time spent up to now is 262.0 secs Computing kpt #: 199 total cpu time spent up to now is 263.2 secs Computing kpt #: 200 total cpu time spent up to now is 264.3 secs Computing kpt #: 201 total cpu time spent up to now is 265.5 secs Computing kpt #: 202 total cpu time spent up to now is 266.7 secs Computing kpt #: 203 total cpu time spent up to now is 267.9 secs Computing kpt #: 204 total cpu time spent up to now is 269.0 secs Computing kpt #: 205 total cpu time spent up to now is 270.2 secs Computing kpt #: 206 total cpu time spent up to now is 271.4 secs Computing kpt #: 207 total cpu time spent up to now is 272.5 secs Computing kpt #: 208 total cpu time spent up to now is 273.7 secs Computing kpt #: 209 total cpu time spent up to now is 274.9 secs Computing kpt #: 210 total cpu time spent up to now is 276.0 secs Computing kpt #: 211 total cpu time spent up to now is 277.2 secs Computing kpt #: 212 total cpu time spent up to now is 278.4 secs Computing kpt #: 213 total cpu time spent up to now is 279.5 secs Computing kpt #: 214 total cpu time spent up to now is 280.7 secs Computing kpt #: 215 total cpu time spent up to now is 281.8 secs Computing kpt #: 216 total cpu time spent up to now is 283.0 secs Computing kpt #: 217 total cpu time spent up to now is 284.1 secs Computing kpt #: 218 total cpu time spent up to now is 285.3 secs Computing kpt #: 219 total cpu time spent up to now is 286.4 secs Computing kpt #: 220 total cpu time spent up to now is 287.6 secs Computing kpt #: 221 total cpu time spent up to now is 288.8 secs Computing kpt #: 222 total cpu time spent up to now is 290.0 secs Computing kpt #: 223 total cpu time spent up to now is 291.2 secs Computing kpt #: 224 total cpu time spent up to now is 292.4 secs Computing kpt #: 225 total cpu time spent up to now is 293.6 secs Computing kpt #: 226 total cpu time spent up to now is 294.8 secs Computing kpt #: 227 total cpu time spent up to now is 296.0 secs Computing kpt #: 228 total cpu time spent up to now is 297.3 secs Computing kpt #: 229 total cpu time spent up to now is 298.5 secs Computing kpt #: 230 total cpu time spent up to now is 299.7 secs Computing kpt #: 231 total cpu time spent up to now is 300.9 secs Computing kpt #: 232 total cpu time spent up to now is 302.2 secs Computing kpt #: 233 total cpu time spent up to now is 303.4 secs Computing kpt #: 234 total cpu time spent up to now is 304.6 secs Computing kpt #: 235 total cpu time spent up to now is 305.9 secs Computing kpt #: 236 total cpu time spent up to now is 307.1 secs Computing kpt #: 237 total cpu time spent up to now is 308.4 secs Computing kpt #: 238 total cpu time spent up to now is 309.6 secs Computing kpt #: 239 total cpu time spent up to now is 310.9 secs Computing kpt #: 240 total cpu time spent up to now is 312.1 secs Computing kpt #: 241 total cpu time spent up to now is 313.4 secs Computing kpt #: 242 total cpu time spent up to now is 314.6 secs Computing kpt #: 243 total cpu time spent up to now is 316.0 secs Computing kpt #: 244 total cpu time spent up to now is 317.4 secs Computing kpt #: 245 total cpu time spent up to now is 318.9 secs Computing kpt #: 246 total cpu time spent up to now is 320.4 secs Computing kpt #: 247 total cpu time spent up to now is 321.9 secs Computing kpt #: 248 total cpu time spent up to now is 323.4 secs Computing kpt #: 249 total cpu time spent up to now is 324.9 secs Computing kpt #: 250 total cpu time spent up to now is 326.3 secs Computing kpt #: 251 total cpu time spent up to now is 327.8 secs Computing kpt #: 252 total cpu time spent up to now is 329.3 secs Computing kpt #: 253 total cpu time spent up to now is 330.7 secs Computing kpt #: 254 total cpu time spent up to now is 332.2 secs Computing kpt #: 255 total cpu time spent up to now is 333.7 secs Computing kpt #: 256 total cpu time spent up to now is 335.2 secs Computing kpt #: 257 total cpu time spent up to now is 336.7 secs Computing kpt #: 258 total cpu time spent up to now is 338.2 secs Computing kpt #: 259 total cpu time spent up to now is 339.6 secs Computing kpt #: 260 total cpu time spent up to now is 341.1 secs Computing kpt #: 261 total cpu time spent up to now is 342.9 secs Computing kpt #: 262 total cpu time spent up to now is 344.7 secs Computing kpt #: 263 total cpu time spent up to now is 346.0 secs Computing kpt #: 264 total cpu time spent up to now is 347.4 secs Computing kpt #: 265 total cpu time spent up to now is 348.7 secs Computing kpt #: 266 total cpu time spent up to now is 350.2 secs Computing kpt #: 267 total cpu time spent up to now is 351.5 secs Computing kpt #: 268 total cpu time spent up to now is 353.0 secs Computing kpt #: 269 total cpu time spent up to now is 354.4 secs Computing kpt #: 270 total cpu time spent up to now is 355.9 secs Computing kpt #: 271 total cpu time spent up to now is 357.3 secs Computing kpt #: 272 total cpu time spent up to now is 358.8 secs Computing kpt #: 273 total cpu time spent up to now is 360.3 secs Computing kpt #: 274 total cpu time spent up to now is 361.7 secs Computing kpt #: 275 total cpu time spent up to now is 363.2 secs Computing kpt #: 276 total cpu time spent up to now is 364.6 secs Computing kpt #: 277 total cpu time spent up to now is 366.1 secs Computing kpt #: 278 total cpu time spent up to now is 367.5 secs Computing kpt #: 279 total cpu time spent up to now is 368.8 secs Computing kpt #: 280 total cpu time spent up to now is 370.2 secs Computing kpt #: 281 total cpu time spent up to now is 371.5 secs Computing kpt #: 282 total cpu time spent up to now is 372.7 secs Computing kpt #: 283 total cpu time spent up to now is 373.9 secs Computing kpt #: 284 total cpu time spent up to now is 375.1 secs Computing kpt #: 285 total cpu time spent up to now is 376.4 secs Computing kpt #: 286 total cpu time spent up to now is 377.7 secs Computing kpt #: 287 total cpu time spent up to now is 378.9 secs Computing kpt #: 288 total cpu time spent up to now is 380.1 secs Computing kpt #: 289 total cpu time spent up to now is 381.4 secs Computing kpt #: 290 total cpu time spent up to now is 382.6 secs Computing kpt #: 291 total cpu time spent up to now is 383.8 secs Computing kpt #: 292 total cpu time spent up to now is 385.0 secs Computing kpt #: 293 total cpu time spent up to now is 386.3 secs Computing kpt #: 294 total cpu time spent up to now is 388.4 secs Computing kpt #: 295 total cpu time spent up to now is 389.6 secs Computing kpt #: 296 total cpu time spent up to now is 390.9 secs Computing kpt #: 297 total cpu time spent up to now is 392.2 secs Computing kpt #: 298 total cpu time spent up to now is 393.5 secs Computing kpt #: 299 total cpu time spent up to now is 394.9 secs Computing kpt #: 300 total cpu time spent up to now is 396.4 secs Computing kpt #: 301 total cpu time spent up to now is 397.9 secs Computing kpt #: 302 total cpu time spent up to now is 399.4 secs Computing kpt #: 303 total cpu time spent up to now is 400.9 secs Computing kpt #: 304 total cpu time spent up to now is 402.2 secs Computing kpt #: 305 total cpu time spent up to now is 403.7 secs Computing kpt #: 306 total cpu time spent up to now is 405.1 secs Computing kpt #: 307 total cpu time spent up to now is 406.3 secs Computing kpt #: 308 total cpu time spent up to now is 407.5 secs Computing kpt #: 309 total cpu time spent up to now is 408.6 secs Computing kpt #: 310 total cpu time spent up to now is 409.8 secs Computing kpt #: 311 total cpu time spent up to now is 411.0 secs Computing kpt #: 312 total cpu time spent up to now is 412.2 secs Computing kpt #: 313 total cpu time spent up to now is 413.4 secs Computing kpt #: 314 total cpu time spent up to now is 414.6 secs Computing kpt #: 315 total cpu time spent up to now is 415.9 secs Computing kpt #: 316 total cpu time spent up to now is 417.1 secs Computing kpt #: 317 total cpu time spent up to now is 418.3 secs Computing kpt #: 318 total cpu time spent up to now is 419.6 secs Computing kpt #: 319 total cpu time spent up to now is 420.8 secs Computing kpt #: 320 total cpu time spent up to now is 422.0 secs Computing kpt #: 321 total cpu time spent up to now is 423.3 secs Computing kpt #: 322 total cpu time spent up to now is 424.5 secs Computing kpt #: 323 total cpu time spent up to now is 425.7 secs Computing kpt #: 324 total cpu time spent up to now is 427.0 secs Computing kpt #: 325 total cpu time spent up to now is 428.2 secs Computing kpt #: 326 total cpu time spent up to now is 429.5 secs Computing kpt #: 327 total cpu time spent up to now is 430.7 secs Computing kpt #: 328 total cpu time spent up to now is 432.2 secs Computing kpt #: 329 total cpu time spent up to now is 433.6 secs Computing kpt #: 330 total cpu time spent up to now is 435.1 secs Computing kpt #: 331 total cpu time spent up to now is 436.5 secs Computing kpt #: 332 total cpu time spent up to now is 437.7 secs Computing kpt #: 333 total cpu time spent up to now is 438.8 secs Computing kpt #: 334 total cpu time spent up to now is 439.9 secs Computing kpt #: 335 total cpu time spent up to now is 441.1 secs Computing kpt #: 336 total cpu time spent up to now is 442.3 secs Computing kpt #: 337 total cpu time spent up to now is 443.4 secs Computing kpt #: 338 total cpu time spent up to now is 444.6 secs Computing kpt #: 339 total cpu time spent up to now is 445.8 secs Computing kpt #: 340 total cpu time spent up to now is 446.9 secs Computing kpt #: 341 total cpu time spent up to now is 448.1 secs Computing kpt #: 342 total cpu time spent up to now is 449.2 secs Computing kpt #: 343 total cpu time spent up to now is 450.4 secs Computing kpt #: 344 total cpu time spent up to now is 451.6 secs Computing kpt #: 345 total cpu time spent up to now is 452.8 secs Computing kpt #: 346 total cpu time spent up to now is 454.0 secs Computing kpt #: 347 total cpu time spent up to now is 455.2 secs Computing kpt #: 348 total cpu time spent up to now is 456.4 secs Computing kpt #: 349 total cpu time spent up to now is 457.6 secs Computing kpt #: 350 total cpu time spent up to now is 458.8 secs Computing kpt #: 351 total cpu time spent up to now is 460.0 secs Computing kpt #: 352 total cpu time spent up to now is 461.2 secs Computing kpt #: 353 total cpu time spent up to now is 462.4 secs Computing kpt #: 354 total cpu time spent up to now is 463.6 secs Computing kpt #: 355 total cpu time spent up to now is 464.7 secs Computing kpt #: 356 total cpu time spent up to now is 465.9 secs ethr = 2.50E-08, avg # of iterations = 19.0 total cpu time spent up to now is 465.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22389 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9928 -10.9928 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8431 -5.8431 -5.5355 -5.5355 1.5350 1.5350 2.1003 2.1003 2.3655 2.3655 2.4090 2.4090 2.9388 2.9388 3.3801 3.3801 4.1539 4.1539 5.2542 5.2542 6.2507 6.2507 6.7342 6.7342 k = 0.0139-0.0000-0.0000 ( 22383 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9929 -10.9929 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8427 -5.8427 -5.5354 -5.5354 1.5354 1.5354 2.1008 2.1008 2.3618 2.3618 2.4095 2.4095 2.9378 2.9378 3.3713 3.3713 4.1596 4.1596 5.2554 5.2554 6.2573 6.2573 6.7339 6.7339 k = 0.0278-0.0000-0.0000 ( 22381 PWs) bands (ev): -42.2035 -42.2035 -42.1844 -42.1844 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9931 -10.9931 -10.7995 -10.7995 -10.7559 -10.7559 -10.7419 -10.7419 -10.7066 -10.7066 -5.8415 -5.8415 -5.5349 -5.5349 1.5367 1.5367 2.1024 2.1024 2.3507 2.3507 2.4108 2.4108 2.9350 2.9350 3.3457 3.3457 4.1760 4.1760 5.2591 5.2591 6.2768 6.2768 6.7330 6.7330 k = 0.0417-0.0000-0.0000 ( 22367 PWs) bands (ev): -42.2034 -42.2034 -42.1844 -42.1844 -42.1780 -42.1780 -42.1595 -42.1595 -27.3351 -27.3351 -27.3240 -27.3240 -11.0467 -11.0467 -10.9933 -10.9933 -10.7995 -10.7995 -10.7561 -10.7561 -10.7422 -10.7422 -10.7069 -10.7069 -5.8395 -5.8395 -5.5341 -5.5341 1.5389 1.5389 2.1048 2.1048 2.3326 2.3326 2.4130 2.4130 2.9301 2.9301 3.3056 3.3056 4.2013 4.2013 5.2650 5.2650 6.3091 6.3091 6.7314 6.7314 k = 0.0556-0.0000-0.0000 ( 22371 PWs) bands (ev): -42.2033 -42.2033 -42.1843 -42.1843 -42.1781 -42.1781 -42.1596 -42.1596 -27.3351 -27.3351 -27.3240 -27.3240 -11.0467 -11.0467 -10.9937 -10.9937 -10.7995 -10.7995 -10.7563 -10.7563 -10.7425 -10.7425 -10.7074 -10.7074 -5.8367 -5.8367 -5.5330 -5.5330 1.5419 1.5419 2.1078 2.1078 2.3084 2.3084 2.4160 2.4160 2.9231 2.9231 3.2538 3.2538 4.2333 4.2333 5.2731 5.2731 6.3537 6.3537 6.7292 6.7292 k = 0.0694-0.0000-0.0000 ( 22369 PWs) bands (ev): -42.2032 -42.2032 -42.1842 -42.1842 -42.1782 -42.1782 -42.1597 -42.1597 -27.3350 -27.3350 -27.3240 -27.3240 -11.0466 -11.0466 -10.9942 -10.9942 -10.7995 -10.7995 -10.7566 -10.7566 -10.7429 -10.7429 -10.7080 -10.7080 -5.8331 -5.8331 -5.5317 -5.5317 1.5458 1.5458 2.1107 2.1107 2.2793 2.2793 2.4198 2.4198 2.9137 2.9137 3.1932 3.1932 4.2700 4.2700 5.2831 5.2831 6.4103 6.4103 6.7263 6.7263 k = 0.0833-0.0000-0.0000 ( 22367 PWs) bands (ev): -42.2031 -42.2031 -42.1841 -42.1841 -42.1784 -42.1784 -42.1598 -42.1598 -27.3348 -27.3348 -27.3240 -27.3240 -11.0466 -11.0466 -10.9948 -10.9948 -10.7996 -10.7996 -10.7570 -10.7570 -10.7434 -10.7434 -10.7088 -10.7088 -5.8287 -5.8287 -5.5300 -5.5300 1.5505 1.5505 2.1120 2.1120 2.2476 2.2476 2.4243 2.4243 2.9014 2.9014 3.1267 3.1267 4.3100 4.3100 5.2947 5.2947 6.4781 6.4781 6.7228 6.7228 k = 0.0972-0.0000-0.0000 ( 22375 PWs) bands (ev): -42.2029 -42.2029 -42.1839 -42.1839 -42.1785 -42.1785 -42.1600 -42.1600 -27.3347 -27.3347 -27.3240 -27.3240 -11.0466 -11.0466 -10.9954 -10.9954 -10.7996 -10.7996 -10.7574 -10.7574 -10.7439 -10.7439 -10.7096 -10.7096 -5.8236 -5.8236 -5.5281 -5.5281 1.5561 1.5561 2.1079 2.1079 2.2177 2.2177 2.4293 2.4293 2.8848 2.8848 3.0576 3.0576 4.3523 4.3523 5.3076 5.3076 6.5564 6.5564 6.7185 6.7185 k = 0.1111-0.0000-0.0000 ( 22393 PWs) bands (ev): -42.2027 -42.2027 -42.1837 -42.1837 -42.1787 -42.1787 -42.1601 -42.1601 -27.3346 -27.3346 -27.3240 -27.3240 -11.0466 -11.0466 -10.9962 -10.9962 -10.7996 -10.7996 -10.7578 -10.7578 -10.7446 -10.7446 -10.7106 -10.7106 -5.8178 -5.8178 -5.5260 -5.5260 1.5624 1.5624 2.0913 2.0913 2.1977 2.1977 2.4348 2.4348 2.8602 2.8602 2.9910 2.9910 4.3963 4.3963 5.3216 5.3216 6.6444 6.6444 6.7137 6.7137 k = 0.1250-0.0000-0.0000 ( 22379 PWs) bands (ev): -42.2025 -42.2025 -42.1835 -42.1835 -42.1789 -42.1789 -42.1603 -42.1603 -27.3344 -27.3344 -27.3240 -27.3240 -11.0465 -11.0465 -10.9971 -10.9971 -10.7997 -10.7997 -10.7583 -10.7583 -10.7453 -10.7453 -10.7116 -10.7116 -5.8112 -5.8112 -5.5237 -5.5237 1.5695 1.5695 2.0584 2.0584 2.1920 2.1920 2.4403 2.4403 2.8205 2.8205 2.9357 2.9357 4.4417 4.4417 5.3365 5.3365 6.7076 6.7076 6.7419 6.7419 k = 0.1389-0.0000-0.0000 ( 22367 PWs) bands (ev): -42.2023 -42.2023 -42.1833 -42.1833 -42.1791 -42.1791 -42.1605 -42.1605 -27.3342 -27.3342 -27.3240 -27.3240 -11.0465 -11.0465 -10.9981 -10.9981 -10.7998 -10.7998 -10.7588 -10.7588 -10.7461 -10.7461 -10.7127 -10.7127 -5.8040 -5.8040 -5.5212 -5.5212 1.5774 1.5774 2.0145 2.0145 2.1962 2.1962 2.4454 2.4454 2.7613 2.7613 2.8975 2.8975 4.4883 4.4883 5.3519 5.3519 6.7014 6.7014 6.7397 6.7397 k = 0.1528-0.0000-0.0000 ( 22371 PWs) bands (ev): -42.2021 -42.2021 -42.1831 -42.1831 -42.1794 -42.1794 -42.1608 -42.1608 -27.3340 -27.3340 -27.3240 -27.3240 -11.0465 -11.0465 -10.9992 -10.9992 -10.7999 -10.7999 -10.7593 -10.7593 -10.7469 -10.7469 -10.7139 -10.7139 -5.7962 -5.7962 -5.5186 -5.5186 1.5858 1.5858 1.9651 1.9651 2.2055 2.2055 2.4487 2.4487 2.6910 2.6910 2.8702 2.8702 4.5361 4.5361 5.3677 5.3677 6.6906 6.6906 6.6942 6.6942 k = 0.1667-0.0000-0.0000 ( 22371 PWs) bands (ev): -42.2018 -42.2018 -42.1828 -42.1828 -42.1796 -42.1796 -42.1610 -42.1610 -27.3338 -27.3338 -27.3240 -27.3240 -11.0464 -11.0464 -11.0004 -11.0004 -10.8000 -10.8000 -10.7599 -10.7599 -10.7478 -10.7478 -10.7151 -10.7151 -5.7878 -5.7878 -5.5159 -5.5159 1.5947 1.5947 1.9131 1.9131 2.2177 2.2177 2.4468 2.4468 2.6205 2.6205 2.8468 2.8468 4.5851 4.5851 5.3835 5.3835 6.6443 6.6443 6.6863 6.6863 k = 0.1806-0.0000-0.0000 ( 22371 PWs) bands (ev): -42.2015 -42.2015 -42.1825 -42.1825 -42.1799 -42.1799 -42.1613 -42.1613 -27.3335 -27.3335 -27.3241 -27.3241 -11.0464 -11.0464 -11.0017 -11.0017 -10.8001 -10.8001 -10.7605 -10.7605 -10.7486 -10.7486 -10.7163 -10.7163 -5.7788 -5.7788 -5.5132 -5.5132 1.6035 1.6035 1.8606 1.8606 2.2319 2.2319 2.4294 2.4294 2.5635 2.5635 2.8245 2.8245 4.6352 4.6352 5.3992 5.3992 6.6008 6.6008 6.6776 6.6776 k = 0.1944-0.0000-0.0000 ( 22371 PWs) bands (ev): -42.2012 -42.2012 -42.1822 -42.1822 -42.1802 -42.1802 -42.1616 -42.1616 -27.3333 -27.3333 -27.3241 -27.3241 -11.0464 -11.0464 -11.0031 -11.0031 -10.8002 -10.8002 -10.7612 -10.7612 -10.7495 -10.7495 -10.7176 -10.7176 -5.7692 -5.7692 -5.5104 -5.5104 1.6116 1.6116 1.8092 1.8092 2.2475 2.2475 2.3827 2.3827 2.5353 2.5353 2.8023 2.8023 4.6866 4.6866 5.4144 5.4144 6.5602 6.5602 6.6680 6.6680 k = 0.2083-0.0000-0.0000 ( 22361 PWs) bands (ev): -42.2008 -42.2008 -42.1819 -42.1819 -42.1805 -42.1805 -42.1620 -42.1620 -27.3330 -27.3330 -27.3241 -27.3241 -11.0464 -11.0464 -11.0045 -11.0045 -10.8003 -10.8003 -10.7619 -10.7619 -10.7503 -10.7503 -10.7189 -10.7189 -5.7592 -5.7592 -5.5077 -5.5077 1.6167 1.6167 1.7619 1.7619 2.2641 2.2641 2.3144 2.3144 2.5293 2.5293 2.7797 2.7797 4.7391 4.7391 5.4291 5.4291 6.5227 6.5227 6.6577 6.6577 k = 0.2222-0.0000-0.0000 ( 22375 PWs) bands (ev): -42.2005 -42.2005 -42.1815 -42.1815 -42.1809 -42.1809 -42.1623 -42.1623 -27.3327 -27.3327 -27.3241 -27.3241 -11.0464 -11.0464 -11.0061 -11.0061 -10.8004 -10.8004 -10.7627 -10.7627 -10.7511 -10.7511 -10.7202 -10.7202 -5.7488 -5.7488 -5.5050 -5.5050 1.6130 1.6130 1.7251 1.7251 2.2375 2.2375 2.2826 2.2826 2.5317 2.5317 2.7568 2.7568 4.7929 4.7929 5.4429 5.4429 6.4882 6.4882 6.6466 6.6466 k = 0.2361-0.0000-0.0000 ( 22377 PWs) bands (ev): -42.2001 -42.2001 -42.1813 -42.1813 -42.1812 -42.1812 -42.1627 -42.1627 -27.3325 -27.3325 -27.3242 -27.3242 -11.0463 -11.0463 -11.0077 -11.0077 -10.8005 -10.8005 -10.7637 -10.7637 -10.7517 -10.7517 -10.7215 -10.7215 -5.7380 -5.7380 -5.5025 -5.5025 1.5917 1.5917 1.7080 1.7080 2.1597 2.1597 2.3010 2.3010 2.5368 2.5368 2.7337 2.7337 4.8479 4.8479 5.4557 5.4557 6.4568 6.4568 6.6347 6.6347 k = 0.2500-0.0000-0.0000 ( 22373 PWs) bands (ev): -42.1997 -42.1997 -42.1816 -42.1816 -42.1808 -42.1808 -42.1630 -42.1630 -27.3322 -27.3322 -27.3242 -27.3242 -11.0463 -11.0463 -11.0093 -11.0093 -10.8006 -10.8006 -10.7647 -10.7647 -10.7523 -10.7523 -10.7228 -10.7228 -5.7269 -5.7269 -5.5002 -5.5002 1.5550 1.5550 1.7089 1.7089 2.0820 2.0820 2.3203 2.3203 2.5421 2.5421 2.7109 2.7109 4.9038 4.9038 5.4674 5.4674 6.4284 6.4284 6.6221 6.6221 k = 0.2639-0.0000-0.0000 ( 22367 PWs) bands (ev): -42.1993 -42.1993 -42.1820 -42.1820 -42.1804 -42.1804 -42.1634 -42.1634 -27.3319 -27.3319 -27.3243 -27.3243 -11.0463 -11.0463 -11.0111 -11.0111 -10.8007 -10.8007 -10.7659 -10.7659 -10.7526 -10.7526 -10.7241 -10.7241 -5.7155 -5.7155 -5.4980 -5.4980 1.5122 1.5122 1.7187 1.7187 2.0056 2.0056 2.3402 2.3402 2.5461 2.5461 2.6894 2.6894 4.9607 4.9607 5.4778 5.4778 6.4030 6.4030 6.6088 6.6088 k = 0.2778-0.0000-0.0000 ( 22361 PWs) bands (ev): -42.1989 -42.1989 -42.1825 -42.1825 -42.1800 -42.1800 -42.1638 -42.1638 -27.3316 -27.3316 -27.3243 -27.3243 -11.0462 -11.0462 -11.0128 -11.0128 -10.8007 -10.8007 -10.7672 -10.7672 -10.7528 -10.7528 -10.7254 -10.7254 -5.7038 -5.7038 -5.4962 -5.4962 1.4685 1.4685 1.7327 1.7327 1.9311 1.9311 2.3606 2.3606 2.5467 2.5467 2.6706 2.6706 5.0182 5.0182 5.4870 5.4870 6.3806 6.3806 6.5948 6.5948 k = 0.2917-0.0000-0.0000 ( 22355 PWs) bands (ev): -42.1985 -42.1985 -42.1829 -42.1829 -42.1795 -42.1795 -42.1643 -42.1643 -27.3313 -27.3313 -27.3244 -27.3244 -11.0462 -11.0462 -11.0146 -11.0146 -10.8007 -10.8007 -10.7686 -10.7686 -10.7529 -10.7529 -10.7267 -10.7267 -5.6920 -5.6920 -5.4946 -5.4946 1.4259 1.4259 1.7491 1.7491 1.8591 1.8591 2.3812 2.3812 2.5419 2.5419 2.6564 2.6564 5.0760 5.0760 5.4948 5.4948 6.3611 6.3611 6.5802 6.5802 k = 0.3056-0.0000-0.0000 ( 22343 PWs) bands (ev): -42.1980 -42.1980 -42.1833 -42.1833 -42.1791 -42.1791 -42.1647 -42.1647 -27.3309 -27.3309 -27.3245 -27.3245 -11.0461 -11.0461 -11.0165 -11.0165 -10.8006 -10.8006 -10.7701 -10.7701 -10.7529 -10.7529 -10.7279 -10.7279 -5.6801 -5.6801 -5.4934 -5.4934 1.3853 1.3853 1.7663 1.7663 1.7905 1.7905 2.4021 2.4021 2.5298 2.5298 2.6485 2.6485 5.1339 5.1339 5.5015 5.5015 6.3444 6.3444 6.5651 6.5651 k = 0.3194-0.0000-0.0000 ( 22349 PWs) bands (ev): -42.1975 -42.1975 -42.1838 -42.1838 -42.1786 -42.1786 -42.1652 -42.1652 -27.3306 -27.3306 -27.3246 -27.3246 -11.0460 -11.0460 -11.0183 -11.0183 -10.8005 -10.8005 -10.7717 -10.7717 -10.7527 -10.7527 -10.7292 -10.7292 -5.6682 -5.6682 -5.4926 -5.4926 1.3474 1.3474 1.7224 1.7224 1.7873 1.7873 2.4229 2.4229 2.5111 2.5111 2.6462 2.6462 5.1912 5.1912 5.5071 5.5071 6.3304 6.3304 6.5495 6.5495 k = 0.3333-0.0000-0.0000 ( 22337 PWs) bands (ev): -42.1971 -42.1971 -42.1843 -42.1843 -42.1782 -42.1782 -42.1656 -42.1656 -27.3303 -27.3303 -27.3247 -27.3247 -11.0458 -11.0458 -11.0202 -11.0202 -10.8003 -10.8003 -10.7733 -10.7733 -10.7524 -10.7524 -10.7304 -10.7304 -5.6562 -5.6562 -5.4923 -5.4923 1.3125 1.3125 1.6591 1.6591 1.8076 1.8076 2.4436 2.4436 2.4877 2.4877 2.6476 2.6476 5.2474 5.2474 5.5119 5.5119 6.3190 6.3190 6.5335 6.5335 k = 0.3472-0.0000-0.0000 ( 22333 PWs) bands (ev): -42.1966 -42.1966 -42.1847 -42.1847 -42.1777 -42.1777 -42.1661 -42.1661 -27.3300 -27.3300 -27.3248 -27.3248 -11.0457 -11.0457 -11.0220 -11.0220 -10.8000 -10.8000 -10.7749 -10.7749 -10.7520 -10.7520 -10.7316 -10.7316 -5.6444 -5.6444 -5.4925 -5.4925 1.2809 1.2809 1.5990 1.5990 1.8292 1.8292 2.4580 2.4580 2.4672 2.4672 2.6509 2.6509 5.3017 5.3017 5.5159 5.5159 6.3102 6.3102 6.5172 6.5172 k = 0.3611-0.0000-0.0000 ( 22325 PWs) bands (ev): -42.1961 -42.1961 -42.1852 -42.1852 -42.1772 -42.1772 -42.1666 -42.1666 -27.3297 -27.3297 -27.3249 -27.3249 -11.0454 -11.0454 -11.0238 -11.0238 -10.7997 -10.7997 -10.7765 -10.7765 -10.7515 -10.7515 -10.7328 -10.7328 -5.6326 -5.6326 -5.4932 -5.4932 1.2527 1.2527 1.5423 1.5423 1.8518 1.8518 2.4316 2.4316 2.4853 2.4853 2.6547 2.6547 5.3532 5.3532 5.5195 5.5195 6.3039 6.3039 6.5006 6.5006 k = 0.3750-0.0000-0.0000 ( 22341 PWs) bands (ev): -42.1956 -42.1956 -42.1858 -42.1858 -42.1767 -42.1767 -42.1671 -42.1671 -27.3294 -27.3294 -27.3251 -27.3251 -11.0451 -11.0451 -11.0256 -11.0256 -10.7992 -10.7992 -10.7782 -10.7782 -10.7509 -10.7509 -10.7340 -10.7340 -5.6211 -5.6211 -5.4944 -5.4944 1.2282 1.2282 1.4892 1.4892 1.8754 1.8754 2.4019 2.4019 2.5049 2.5049 2.6585 2.6585 5.4008 5.4008 5.5229 5.5229 6.2998 6.2998 6.4840 6.4840 k = 0.3889-0.0000-0.0000 ( 22335 PWs) bands (ev): -42.1950 -42.1950 -42.1863 -42.1863 -42.1762 -42.1762 -42.1676 -42.1676 -27.3290 -27.3290 -27.3252 -27.3252 -11.0448 -11.0448 -11.0274 -11.0274 -10.7987 -10.7987 -10.7798 -10.7798 -10.7503 -10.7503 -10.7351 -10.7351 -5.6098 -5.6098 -5.4962 -5.4962 1.2074 1.2074 1.4398 1.4398 1.8998 1.8998 2.3714 2.3714 2.5241 2.5241 2.6616 2.6616 5.4436 5.4436 5.5263 5.5263 6.2979 6.2979 6.4673 6.4673 k = 0.4028-0.0000-0.0000 ( 22350 PWs) bands (ev): -42.1945 -42.1945 -42.1868 -42.1868 -42.1757 -42.1757 -42.1681 -42.1681 -27.3287 -27.3287 -27.3254 -27.3254 -11.0444 -11.0444 -11.0291 -11.0291 -10.7981 -10.7981 -10.7815 -10.7815 -10.7496 -10.7496 -10.7363 -10.7363 -5.5988 -5.5988 -5.4987 -5.4987 1.1906 1.1906 1.3942 1.3942 1.9251 1.9251 2.3403 2.3403 2.5425 2.5425 2.6638 2.6638 5.4804 5.4804 5.5300 5.5300 6.2982 6.2982 6.4508 6.4508 k = 0.4167-0.0000-0.0000 ( 22346 PWs) bands (ev): -42.1940 -42.1940 -42.1873 -42.1873 -42.1751 -42.1751 -42.1686 -42.1686 -27.3284 -27.3284 -27.3255 -27.3255 -11.0439 -11.0439 -11.0308 -11.0308 -10.7974 -10.7974 -10.7831 -10.7831 -10.7489 -10.7489 -10.7374 -10.7374 -5.5881 -5.5881 -5.5018 -5.5018 1.1778 1.1778 1.3525 1.3525 1.9512 1.9512 2.3089 2.3089 2.5601 2.5601 2.6648 2.6648 5.5106 5.5106 5.5340 5.5340 6.3004 6.3004 6.4344 6.4344 k = 0.4306-0.0000-0.0000 ( 22330 PWs) bands (ev): -42.1934 -42.1934 -42.1879 -42.1879 -42.1746 -42.1746 -42.1692 -42.1692 -27.3281 -27.3281 -27.3257 -27.3257 -11.0433 -11.0433 -11.0323 -11.0323 -10.7967 -10.7967 -10.7846 -10.7846 -10.7481 -10.7481 -10.7385 -10.7385 -5.5778 -5.5778 -5.5055 -5.5055 1.1691 1.1691 1.3149 1.3149 1.9780 1.9780 2.2774 2.2774 2.5766 2.5766 2.6645 2.6645 5.5336 5.5336 5.5385 5.5385 6.3044 6.3044 6.4185 6.4185 k = 0.4444-0.0000-0.0000 ( 22320 PWs) bands (ev): -42.1929 -42.1929 -42.1884 -42.1884 -42.1741 -42.1741 -42.1697 -42.1697 -27.3278 -27.3278 -27.3259 -27.3259 -11.0426 -11.0426 -11.0338 -11.0338 -10.7958 -10.7958 -10.7861 -10.7861 -10.7473 -10.7473 -10.7395 -10.7395 -5.5680 -5.5680 -5.5099 -5.5099 1.1646 1.1646 1.2813 1.2813 2.0056 2.0056 2.2459 2.2459 2.5920 2.5920 2.6627 2.6627 5.5434 5.5434 5.5499 5.5499 6.3102 6.3102 6.4029 6.4029 k = 0.4583-0.0000-0.0000 ( 22296 PWs) bands (ev): -42.1923 -42.1923 -42.1890 -42.1890 -42.1735 -42.1735 -42.1702 -42.1702 -27.3276 -27.3276 -27.3261 -27.3261 -11.0418 -11.0418 -11.0353 -11.0353 -10.7949 -10.7949 -10.7876 -10.7876 -10.7464 -10.7464 -10.7406 -10.7406 -5.5587 -5.5587 -5.5150 -5.5150 1.1642 1.1642 1.2518 1.2518 2.0338 2.0338 2.2145 2.2145 2.6061 2.6061 2.6594 2.6594 5.5487 5.5487 5.5598 5.5598 6.3175 6.3175 6.3880 6.3880 k = 0.4722-0.0000-0.0000 ( 22284 PWs) bands (ev): -42.1917 -42.1917 -42.1895 -42.1895 -42.1730 -42.1730 -42.1708 -42.1708 -27.3273 -27.3273 -27.3263 -27.3263 -11.0410 -11.0410 -11.0366 -11.0366 -10.7938 -10.7938 -10.7889 -10.7889 -10.7455 -10.7455 -10.7416 -10.7416 -5.5499 -5.5499 -5.5207 -5.5207 1.1681 1.1681 1.2266 1.2266 2.0627 2.0627 2.1834 2.1834 2.6188 2.6188 2.6545 2.6545 5.5541 5.5541 5.5646 5.5646 6.3264 6.3264 6.3737 6.3737 k = 0.4861-0.0000-0.0000 ( 22304 PWs) bands (ev): -42.1912 -42.1912 -42.1901 -42.1901 -42.1724 -42.1724 -42.1713 -42.1713 -27.3270 -27.3270 -27.3265 -27.3265 -11.0400 -11.0400 -11.0378 -11.0378 -10.7927 -10.7927 -10.7903 -10.7903 -10.7446 -10.7446 -10.7426 -10.7426 -5.5417 -5.5417 -5.5271 -5.5271 1.1763 1.1763 1.2056 1.2056 2.0922 2.0922 2.1526 2.1526 2.6300 2.6300 2.6479 2.6479 5.5591 5.5591 5.5653 5.5653 6.3365 6.3365 6.3603 6.3603 k = 0.5000-0.0000-0.0000 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7436 -10.7436 -10.7436 -10.7436 -5.5341 -5.5341 -5.5341 -5.5341 1.1888 1.1888 1.1888 1.1888 2.1221 2.1221 2.1221 2.1221 2.6398 2.6398 2.6398 2.6398 5.5631 5.5631 5.5631 5.5631 6.3479 6.3479 6.3479 6.3479 k = 0.5000-0.0000-0.0000 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7436 -10.7436 -10.7436 -10.7436 -5.5341 -5.5341 -5.5341 -5.5341 1.1888 1.1888 1.1888 1.1888 2.1221 2.1221 2.1221 2.1221 2.6398 2.6398 2.6398 2.6398 5.5631 5.5631 5.5631 5.5631 6.3479 6.3479 6.3479 6.3479 k = 0.5000 0.0137-0.0000 ( 22312 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7436 -10.7436 -10.7436 -10.7436 -5.5341 -5.5341 -5.5341 -5.5341 1.1893 1.1893 1.1893 1.1893 2.1223 2.1223 2.1223 2.1223 2.6395 2.6395 2.6395 2.6395 5.5630 5.5630 5.5630 5.5630 6.3465 6.3465 6.3465 6.3465 k = 0.5000 0.0273-0.0000 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7436 -10.7436 -10.7436 -10.7436 -5.5342 -5.5342 -5.5342 -5.5342 1.1907 1.1907 1.1907 1.1907 2.1226 2.1226 2.1226 2.1226 2.6388 2.6388 2.6388 2.6388 5.5626 5.5626 5.5626 5.5626 6.3422 6.3422 6.3422 6.3422 k = 0.5000 0.0410-0.0000 ( 22326 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7437 -10.7437 -10.7437 -10.7437 -5.5344 -5.5344 -5.5344 -5.5344 1.1931 1.1931 1.1931 1.1931 2.1232 2.1232 2.1232 2.1232 2.6377 2.6377 2.6377 2.6377 5.5616 5.5616 5.5616 5.5616 6.3353 6.3353 6.3353 6.3353 k = 0.5000 0.0547-0.0000 ( 22320 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7437 -10.7437 -10.7437 -10.7437 -5.5347 -5.5347 -5.5347 -5.5347 1.1964 1.1964 1.1964 1.1964 2.1239 2.1239 2.1239 2.1239 2.6361 2.6361 2.6361 2.6361 5.5598 5.5598 5.5598 5.5598 6.3259 6.3259 6.3259 6.3259 k = 0.5000 0.0684-0.0000 ( 22328 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7437 -10.7437 -10.7437 -10.7437 -5.5351 -5.5351 -5.5351 -5.5351 1.2006 1.2006 1.2006 1.2006 2.1249 2.1249 2.1249 2.1249 2.6341 2.6341 2.6341 2.6341 5.5566 5.5566 5.5566 5.5566 6.3141 6.3141 6.3141 6.3141 k = 0.5000 0.0820-0.0000 ( 22316 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0389 -11.0389 -10.7915 -10.7915 -10.7915 -10.7915 -10.7437 -10.7437 -10.7437 -10.7437 -5.5355 -5.5355 -5.5355 -5.5355 1.2055 1.2055 1.2055 1.2055 2.1261 2.1261 2.1261 2.1261 2.6318 2.6318 2.6318 2.6318 5.5516 5.5516 5.5516 5.5516 6.3002 6.3002 6.3002 6.3002 k = 0.5000 0.0957-0.0000 ( 22314 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0389 -11.0389 -10.7914 -10.7914 -10.7914 -10.7914 -10.7438 -10.7438 -10.7438 -10.7438 -5.5360 -5.5360 -5.5360 -5.5360 1.2113 1.2113 1.2113 1.2113 2.1274 2.1274 2.1274 2.1274 2.6293 2.6293 2.6293 2.6293 5.5444 5.5444 5.5444 5.5444 6.2846 6.2846 6.2846 6.2846 k = 0.5000 0.1094-0.0000 ( 22330 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0389 -11.0389 -10.7914 -10.7914 -10.7914 -10.7914 -10.7438 -10.7438 -10.7438 -10.7438 -5.5366 -5.5366 -5.5366 -5.5366 1.2176 1.2176 1.2176 1.2176 2.1289 2.1289 2.1289 2.1289 2.6266 2.6266 2.6266 2.6266 5.5343 5.5343 5.5343 5.5343 6.2674 6.2674 6.2674 6.2674 k = 0.5000 0.1231-0.0000 ( 22346 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0389 -11.0389 -10.7914 -10.7914 -10.7914 -10.7914 -10.7438 -10.7438 -10.7438 -10.7438 -5.5372 -5.5372 -5.5372 -5.5372 1.2246 1.2246 1.2246 1.2246 2.1306 2.1306 2.1306 2.1306 2.6238 2.6238 2.6238 2.6238 5.5212 5.5212 5.5212 5.5212 6.2491 6.2491 6.2491 6.2491 k = 0.5000 0.1367-0.0000 ( 22336 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0389 -11.0389 -10.7913 -10.7913 -10.7913 -10.7913 -10.7439 -10.7439 -10.7439 -10.7439 -5.5378 -5.5378 -5.5378 -5.5378 1.2320 1.2320 1.2320 1.2320 2.1323 2.1323 2.1323 2.1323 2.6210 2.6210 2.6210 2.6210 5.5049 5.5049 5.5049 5.5049 6.2300 6.2300 6.2300 6.2300 k = 0.5000 0.1504-0.0000 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0388 -11.0388 -11.0388 -11.0388 -10.7913 -10.7913 -10.7913 -10.7913 -10.7439 -10.7439 -10.7439 -10.7439 -5.5385 -5.5385 -5.5385 -5.5385 1.2399 1.2399 1.2399 1.2399 2.1341 2.1341 2.1341 2.1341 2.6182 2.6182 2.6182 2.6182 5.4853 5.4853 5.4853 5.4853 6.2103 6.2103 6.2103 6.2103 k = 0.5000 0.1641-0.0000 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0388 -11.0388 -11.0388 -11.0388 -10.7913 -10.7913 -10.7913 -10.7913 -10.7440 -10.7440 -10.7440 -10.7440 -5.5392 -5.5392 -5.5392 -5.5392 1.2479 1.2479 1.2479 1.2479 2.1360 2.1360 2.1360 2.1360 2.6155 2.6155 2.6155 2.6155 5.4629 5.4629 5.4629 5.4629 6.1905 6.1905 6.1905 6.1905 k = 0.5000 0.1778-0.0000 ( 22342 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0388 -11.0388 -11.0388 -11.0388 -10.7912 -10.7912 -10.7912 -10.7912 -10.7440 -10.7440 -10.7440 -10.7440 -5.5399 -5.5399 -5.5399 -5.5399 1.2562 1.2562 1.2562 1.2562 2.1380 2.1380 2.1380 2.1380 2.6129 2.6129 2.6129 2.6129 5.4380 5.4380 5.4380 5.4380 6.1707 6.1707 6.1707 6.1707 k = 0.5000 0.1914-0.0000 ( 22338 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0388 -11.0388 -11.0388 -11.0388 -10.7912 -10.7912 -10.7912 -10.7912 -10.7440 -10.7440 -10.7440 -10.7440 -5.5406 -5.5406 -5.5406 -5.5406 1.2644 1.2644 1.2644 1.2644 2.1399 2.1399 2.1399 2.1399 2.6106 2.6106 2.6106 2.6106 5.4113 5.4113 5.4113 5.4113 6.1513 6.1513 6.1513 6.1513 k = 0.5000 0.2051-0.0000 ( 22338 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0387 -11.0387 -10.7911 -10.7911 -10.7911 -10.7911 -10.7441 -10.7441 -10.7441 -10.7441 -5.5413 -5.5413 -5.5413 -5.5413 1.2726 1.2726 1.2726 1.2726 2.1418 2.1418 2.1418 2.1418 2.6084 2.6084 2.6084 2.6084 5.3833 5.3833 5.3833 5.3833 6.1325 6.1325 6.1325 6.1325 k = 0.5000 0.2188-0.0000 ( 22336 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0387 -11.0387 -10.7911 -10.7911 -10.7911 -10.7911 -10.7441 -10.7441 -10.7441 -10.7441 -5.5420 -5.5420 -5.5420 -5.5420 1.2806 1.2806 1.2806 1.2806 2.1437 2.1437 2.1437 2.1437 2.6066 2.6066 2.6066 2.6066 5.3549 5.3549 5.3549 5.3549 6.1145 6.1145 6.1145 6.1145 k = 0.5000 0.2324-0.0000 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0387 -11.0387 -10.7911 -10.7911 -10.7911 -10.7911 -10.7442 -10.7442 -10.7442 -10.7442 -5.5426 -5.5426 -5.5426 -5.5426 1.2882 1.2882 1.2882 1.2882 2.1455 2.1455 2.1455 2.1455 2.6050 2.6050 2.6050 2.6050 5.3267 5.3267 5.3267 5.3267 6.0977 6.0977 6.0977 6.0977 k = 0.5000 0.2461-0.0000 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0387 -11.0387 -10.7910 -10.7910 -10.7910 -10.7910 -10.7442 -10.7442 -10.7442 -10.7442 -5.5432 -5.5432 -5.5432 -5.5432 1.2954 1.2954 1.2954 1.2954 2.1471 2.1471 2.1471 2.1471 2.6037 2.6037 2.6037 2.6037 5.2995 5.2995 5.2995 5.2995 6.0821 6.0821 6.0821 6.0821 k = 0.5000 0.2598-0.0000 ( 22360 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0387 -11.0387 -10.7910 -10.7910 -10.7910 -10.7910 -10.7442 -10.7442 -10.7442 -10.7442 -5.5438 -5.5438 -5.5438 -5.5438 1.3020 1.3020 1.3020 1.3020 2.1487 2.1487 2.1487 2.1487 2.6026 2.6026 2.6026 2.6026 5.2739 5.2739 5.2739 5.2739 6.0679 6.0679 6.0679 6.0679 k = 0.5000 0.2735-0.0000 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7910 -10.7910 -10.7910 -10.7910 -10.7443 -10.7443 -10.7443 -10.7443 -5.5443 -5.5443 -5.5443 -5.5443 1.3079 1.3079 1.3079 1.3079 2.1501 2.1501 2.1501 2.1501 2.6017 2.6017 2.6017 2.6017 5.2504 5.2504 5.2504 5.2504 6.0553 6.0553 6.0553 6.0553 k = 0.5000 0.2871-0.0000 ( 22354 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7910 -10.7910 -10.7910 -10.7910 -10.7443 -10.7443 -10.7443 -10.7443 -5.5447 -5.5447 -5.5447 -5.5447 1.3131 1.3131 1.3131 1.3131 2.1513 2.1513 2.1513 2.1513 2.6011 2.6011 2.6011 2.6011 5.2297 5.2297 5.2297 5.2297 6.0445 6.0445 6.0445 6.0445 k = 0.5000 0.3008-0.0000 ( 22354 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7910 -10.7910 -10.7910 -10.7910 -10.7443 -10.7443 -10.7443 -10.7443 -5.5451 -5.5451 -5.5451 -5.5451 1.3175 1.3175 1.3175 1.3175 2.1523 2.1523 2.1523 2.1523 2.6006 2.6006 2.6006 2.6006 5.2121 5.2121 5.2121 5.2121 6.0354 6.0354 6.0354 6.0354 k = 0.5000 0.3145-0.0000 ( 22372 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7443 -10.7443 -10.7443 -10.7443 -5.5453 -5.5453 -5.5453 -5.5453 1.3210 1.3210 1.3210 1.3210 2.1532 2.1532 2.1532 2.1532 2.6003 2.6003 2.6003 2.6003 5.1980 5.1980 5.1980 5.1980 6.0283 6.0283 6.0283 6.0283 k = 0.5000 0.3282-0.0000 ( 22360 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7443 -10.7443 -10.7443 -10.7443 -5.5456 -5.5456 -5.5456 -5.5456 1.3235 1.3235 1.3235 1.3235 2.1537 2.1537 2.1537 2.1537 2.6001 2.6001 2.6001 2.6001 5.1878 5.1878 5.1878 5.1878 6.0232 6.0232 6.0232 6.0232 k = 0.5000 0.3418-0.0000 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7444 -10.7444 -10.7444 -10.7444 -5.5457 -5.5457 -5.5457 -5.5457 1.3250 1.3250 1.3250 1.3250 2.1541 2.1541 2.1541 2.1541 2.6000 2.6000 2.6000 2.6000 5.1815 5.1815 5.1815 5.1815 6.0201 6.0201 6.0201 6.0201 k = 0.5000 0.3555-0.0000 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7444 -10.7444 -10.7444 -10.7444 -5.5457 -5.5457 -5.5457 -5.5457 1.3255 1.3255 1.3255 1.3255 2.1542 2.1542 2.1542 2.1542 2.5999 2.5999 2.5999 2.5999 5.1795 5.1795 5.1795 5.1795 6.0190 6.0190 6.0190 6.0190 k = 0.5000 0.3555-0.0000 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7444 -10.7444 -10.7444 -10.7444 -5.5457 -5.5457 -5.5457 -5.5457 1.3255 1.3255 1.3255 1.3255 2.1542 2.1542 2.1542 2.1542 2.5999 2.5999 2.5999 2.5999 5.1795 5.1795 5.1795 5.1795 6.0190 6.0190 6.0190 6.0190 k = 0.4861 0.3555-0.0000 ( 22348 PWs) bands (ev): -42.1912 -42.1912 -42.1901 -42.1901 -42.1724 -42.1724 -42.1713 -42.1713 -27.3270 -27.3270 -27.3266 -27.3266 -11.0396 -11.0396 -11.0375 -11.0375 -10.7920 -10.7920 -10.7897 -10.7897 -10.7452 -10.7452 -10.7434 -10.7434 -5.5504 -5.5504 -5.5414 -5.5414 1.3107 1.3107 1.3440 1.3440 2.1259 2.1259 2.1826 2.1826 2.5802 2.5802 2.6149 2.6149 5.1829 5.1829 5.1848 5.1848 5.9899 5.9899 6.0516 6.0516 k = 0.4722 0.3555-0.0000 ( 22336 PWs) bands (ev): -42.1918 -42.1918 -42.1895 -42.1895 -42.1730 -42.1730 -42.1708 -42.1708 -27.3273 -27.3273 -27.3263 -27.3263 -11.0405 -11.0405 -11.0363 -11.0363 -10.7931 -10.7931 -10.7885 -10.7885 -10.7461 -10.7461 -10.7425 -10.7425 -5.5556 -5.5556 -5.5375 -5.5375 1.2995 1.2995 1.3662 1.3662 2.0977 2.0977 2.2108 2.2108 2.5561 2.5561 2.6249 2.6249 5.1952 5.1952 5.1987 5.1987 5.9641 5.9641 6.0875 6.0875 k = 0.4583 0.3555-0.0000 ( 22340 PWs) bands (ev): -42.1923 -42.1923 -42.1890 -42.1890 -42.1735 -42.1735 -42.1702 -42.1702 -27.3276 -27.3276 -27.3261 -27.3261 -11.0414 -11.0414 -11.0351 -11.0351 -10.7941 -10.7941 -10.7872 -10.7872 -10.7469 -10.7469 -10.7416 -10.7416 -5.5610 -5.5610 -5.5340 -5.5340 1.2920 1.2920 1.3920 1.3920 2.0699 2.0699 2.2387 2.2387 2.5282 2.5282 2.6299 2.6299 5.2164 5.2164 5.2207 5.2207 5.9418 5.9418 6.1266 6.1266 k = 0.4444 0.3555-0.0000 ( 22340 PWs) bands (ev): -42.1929 -42.1929 -42.1884 -42.1884 -42.1741 -42.1741 -42.1697 -42.1697 -27.3279 -27.3279 -27.3259 -27.3259 -11.0421 -11.0421 -11.0337 -11.0337 -10.7950 -10.7950 -10.7858 -10.7858 -10.7478 -10.7478 -10.7406 -10.7406 -5.5669 -5.5669 -5.5310 -5.5310 1.2880 1.2880 1.4213 1.4213 2.0423 2.0423 2.2656 2.2656 2.4974 2.4974 2.6301 2.6301 5.2463 5.2463 5.2503 5.2503 5.9231 5.9231 6.1689 6.1689 k = 0.4306 0.3555-0.0000 ( 22358 PWs) bands (ev): -42.1934 -42.1934 -42.1879 -42.1879 -42.1746 -42.1746 -42.1692 -42.1692 -27.3281 -27.3281 -27.3257 -27.3257 -11.0428 -11.0428 -11.0323 -11.0323 -10.7958 -10.7958 -10.7844 -10.7844 -10.7485 -10.7485 -10.7396 -10.7396 -5.5730 -5.5730 -5.5284 -5.5284 1.2876 1.2876 1.4542 1.4542 2.0153 2.0153 2.2906 2.2906 2.4652 2.4652 2.6256 2.6256 5.2846 5.2846 5.2871 5.2871 5.9080 5.9080 6.2144 6.2144 k = 0.4167 0.3555-0.0000 ( 22358 PWs) bands (ev): -42.1940 -42.1940 -42.1873 -42.1873 -42.1751 -42.1751 -42.1686 -42.1686 -27.3284 -27.3284 -27.3255 -27.3255 -11.0433 -11.0433 -11.0308 -11.0308 -10.7966 -10.7966 -10.7830 -10.7830 -10.7493 -10.7493 -10.7385 -10.7385 -5.5795 -5.5795 -5.5262 -5.5262 1.2905 1.2905 1.4906 1.4906 1.9887 1.9887 2.3107 2.3107 2.4350 2.4350 2.6169 2.6169 5.3304 5.3304 5.3311 5.3311 5.8966 5.8966 6.2630 6.2630 k = 0.4028 0.3555-0.0000 ( 22370 PWs) bands (ev): -42.1945 -42.1945 -42.1868 -42.1868 -42.1757 -42.1757 -42.1681 -42.1681 -27.3287 -27.3287 -27.3254 -27.3254 -11.0438 -11.0438 -11.0293 -11.0293 -10.7973 -10.7973 -10.7816 -10.7816 -10.7500 -10.7500 -10.7375 -10.7375 -5.5862 -5.5862 -5.5244 -5.5244 1.2968 1.2968 1.5302 1.5302 1.9627 1.9627 2.3174 2.3174 2.4157 2.4157 2.6044 2.6044 5.3797 5.3797 5.3849 5.3849 5.8888 5.8888 6.3145 6.3145 k = 0.3889 0.3555-0.0000 ( 22380 PWs) bands (ev): -42.1950 -42.1950 -42.1863 -42.1863 -42.1762 -42.1762 -42.1676 -42.1676 -27.3290 -27.3290 -27.3252 -27.3252 -11.0443 -11.0443 -11.0277 -11.0277 -10.7979 -10.7979 -10.7801 -10.7801 -10.7507 -10.7507 -10.7364 -10.7364 -5.5931 -5.5931 -5.5231 -5.5231 1.3063 1.3063 1.5729 1.5729 1.9373 1.9373 2.3007 2.3007 2.4178 2.4178 2.5887 2.5887 5.4344 5.4344 5.4458 5.4458 5.8849 5.8849 6.3691 6.3691 k = 0.3750 0.3555-0.0000 ( 22360 PWs) bands (ev): -42.1956 -42.1956 -42.1858 -42.1858 -42.1767 -42.1767 -42.1671 -42.1671 -27.3294 -27.3294 -27.3251 -27.3251 -11.0446 -11.0446 -11.0260 -11.0260 -10.7984 -10.7984 -10.7786 -10.7786 -10.7513 -10.7513 -10.7353 -10.7353 -5.6002 -5.6002 -5.5222 -5.5222 1.3187 1.3187 1.6185 1.6185 1.9127 1.9127 2.2677 2.2677 2.4346 2.4346 2.5707 2.5707 5.4938 5.4938 5.5129 5.5129 5.8847 5.8847 6.4266 6.4266 k = 0.3611 0.3555-0.0000 ( 22356 PWs) bands (ev): -42.1961 -42.1961 -42.1853 -42.1853 -42.1772 -42.1772 -42.1666 -42.1666 -27.3297 -27.3297 -27.3249 -27.3249 -11.0449 -11.0449 -11.0244 -11.0244 -10.7988 -10.7988 -10.7771 -10.7771 -10.7519 -10.7519 -10.7342 -10.7342 -5.6075 -5.6075 -5.5216 -5.5216 1.3339 1.3339 1.6667 1.6667 1.8889 1.8889 2.2287 2.2287 2.4557 2.4557 2.5514 2.5514 5.5575 5.5575 5.5857 5.5857 5.8884 5.8884 6.4869 6.4869 k = 0.3472 0.3555-0.0000 ( 22354 PWs) bands (ev): -42.1966 -42.1966 -42.1847 -42.1847 -42.1777 -42.1777 -42.1661 -42.1661 -27.3300 -27.3300 -27.3248 -27.3248 -11.0452 -11.0452 -11.0227 -11.0227 -10.7992 -10.7992 -10.7757 -10.7757 -10.7524 -10.7524 -10.7330 -10.7330 -5.6150 -5.6150 -5.5214 -5.5214 1.3515 1.3515 1.7168 1.7168 1.8663 1.8663 2.1879 2.1879 2.4751 2.4751 2.5339 2.5339 5.6249 5.6249 5.6633 5.6633 5.8961 5.8961 6.5500 6.5500 k = 0.3333 0.3555-0.0000 ( 22366 PWs) bands (ev): -42.1971 -42.1971 -42.1843 -42.1843 -42.1782 -42.1782 -42.1656 -42.1656 -27.3303 -27.3303 -27.3247 -27.3247 -11.0454 -11.0454 -11.0210 -11.0210 -10.7994 -10.7994 -10.7742 -10.7742 -10.7528 -10.7528 -10.7318 -10.7318 -5.6225 -5.6225 -5.5216 -5.5216 1.3712 1.3712 1.7668 1.7668 1.8463 1.8463 2.1474 2.1474 2.4815 2.4815 2.5291 2.5291 5.6954 5.6954 5.7452 5.7452 5.9076 5.9076 6.6158 6.6158 k = 0.3194 0.3555-0.0000 ( 22362 PWs) bands (ev): -42.1976 -42.1976 -42.1838 -42.1838 -42.1786 -42.1786 -42.1652 -42.1652 -27.3306 -27.3306 -27.3246 -27.3246 -11.0456 -11.0456 -11.0193 -11.0193 -10.7996 -10.7996 -10.7728 -10.7728 -10.7532 -10.7532 -10.7306 -10.7306 -5.6300 -5.6300 -5.5221 -5.5221 1.3926 1.3926 1.8017 1.8017 1.8429 1.8429 2.1086 2.1086 2.4679 2.4679 2.5441 2.5441 5.7685 5.7685 5.8304 5.8304 5.9233 5.9233 6.6843 6.6843 k = 0.3056 0.3555-0.0000 ( 22374 PWs) bands (ev): -42.1980 -42.1980 -42.1833 -42.1833 -42.1791 -42.1791 -42.1647 -42.1647 -27.3309 -27.3309 -27.3245 -27.3245 -11.0457 -11.0457 -11.0176 -11.0176 -10.7998 -10.7998 -10.7714 -10.7714 -10.7535 -10.7535 -10.7294 -10.7294 -5.6376 -5.6376 -5.5229 -5.5229 1.4149 1.4149 1.7925 1.7925 1.8833 1.8833 2.0737 2.0737 2.4483 2.4483 2.5657 2.5657 5.8435 5.8435 5.9180 5.9180 5.9431 5.9431 6.7552 6.7552 k = 0.2917 0.3555-0.0000 ( 22388 PWs) bands (ev): -42.1985 -42.1985 -42.1829 -42.1829 -42.1795 -42.1795 -42.1643 -42.1643 -27.3313 -27.3313 -27.3244 -27.3244 -11.0458 -11.0458 -11.0159 -11.0159 -10.7999 -10.7999 -10.7700 -10.7700 -10.7537 -10.7537 -10.7281 -10.7281 -5.6451 -5.6451 -5.5239 -5.5239 1.4376 1.4376 1.7739 1.7739 1.9277 1.9277 2.0476 2.0476 2.4293 2.4293 2.5884 2.5884 5.9197 5.9197 5.9669 5.9669 6.0078 6.0078 6.8286 6.8286 k = 0.2778 0.3555-0.0000 ( 22404 PWs) bands (ev): -42.1989 -42.1989 -42.1825 -42.1825 -42.1800 -42.1800 -42.1638 -42.1638 -27.3316 -27.3316 -27.3244 -27.3244 -11.0459 -11.0459 -11.0142 -11.0142 -10.7999 -10.7999 -10.7687 -10.7687 -10.7539 -10.7539 -10.7268 -10.7268 -5.6526 -5.6526 -5.5252 -5.5252 1.4594 1.4594 1.7546 1.7546 1.9522 1.9522 2.0447 2.0447 2.4141 2.4141 2.6111 2.6111 5.9873 5.9873 6.0047 6.0047 6.0974 6.0974 6.9033 6.9033 k = 0.2639 0.3555-0.0000 ( 22400 PWs) bands (ev): -42.1993 -42.1993 -42.1820 -42.1820 -42.1804 -42.1804 -42.1634 -42.1634 -27.3319 -27.3319 -27.3243 -27.3243 -11.0460 -11.0460 -11.0126 -11.0126 -10.7999 -10.7999 -10.7675 -10.7675 -10.7539 -10.7539 -10.7255 -10.7255 -5.6600 -5.6600 -5.5267 -5.5267 1.4792 1.4792 1.7355 1.7355 1.9479 1.9479 2.0710 2.0710 2.4062 2.4062 2.6335 2.6335 6.0231 6.0231 6.0788 6.0788 6.1860 6.1860 6.9192 6.9192 k = 0.2500 0.3555-0.0000 ( 22396 PWs) bands (ev): -42.1997 -42.1997 -42.1816 -42.1816 -42.1808 -42.1808 -42.1630 -42.1630 -27.3322 -27.3322 -27.3242 -27.3242 -11.0461 -11.0461 -11.0111 -11.0111 -10.7999 -10.7999 -10.7664 -10.7664 -10.7538 -10.7538 -10.7241 -10.7241 -5.6672 -5.6672 -5.5284 -5.5284 1.4955 1.4955 1.7167 1.7167 1.9360 1.9360 2.1022 2.1022 2.4103 2.4103 2.6554 2.6554 6.0589 6.0589 6.1568 6.1568 6.2712 6.2712 6.8880 6.8880 k = 0.2361 0.3555-0.0000 ( 22392 PWs) bands (ev): -42.2001 -42.2001 -42.1813 -42.1813 -42.1812 -42.1812 -42.1627 -42.1627 -27.3325 -27.3325 -27.3242 -27.3242 -11.0462 -11.0462 -11.0096 -11.0096 -10.7999 -10.7999 -10.7654 -10.7654 -10.7536 -10.7536 -10.7228 -10.7228 -5.6743 -5.6743 -5.5302 -5.5302 1.5067 1.5067 1.6983 1.6983 1.9284 1.9284 2.1234 2.1234 2.4305 2.4305 2.6768 2.6768 6.0983 6.0983 6.2344 6.2344 6.3497 6.3497 6.8621 6.8621 k = 0.2222 0.3555-0.0000 ( 22402 PWs) bands (ev): -42.2005 -42.2005 -42.1815 -42.1815 -42.1809 -42.1809 -42.1623 -42.1623 -27.3328 -27.3328 -27.3242 -27.3242 -11.0462 -11.0462 -11.0081 -11.0081 -10.7998 -10.7998 -10.7644 -10.7644 -10.7533 -10.7533 -10.7214 -10.7214 -5.6812 -5.6812 -5.5321 -5.5321 1.5117 1.5117 1.6806 1.6806 1.9283 1.9283 2.1313 2.1313 2.4672 2.4672 2.6980 2.6980 6.1415 6.1415 6.3107 6.3107 6.4159 6.4159 6.8471 6.8471 k = 0.2083 0.3555-0.0000 ( 22406 PWs) bands (ev): -42.2009 -42.2009 -42.1819 -42.1819 -42.1805 -42.1805 -42.1620 -42.1620 -27.3330 -27.3330 -27.3241 -27.3241 -11.0463 -11.0463 -11.0068 -11.0068 -10.7997 -10.7997 -10.7635 -10.7635 -10.7529 -10.7529 -10.7201 -10.7201 -5.6878 -5.6878 -5.5341 -5.5341 1.5100 1.5100 1.6639 1.6639 1.9365 1.9365 2.1286 2.1286 2.5163 2.5163 2.7196 2.7196 6.1883 6.1883 6.3846 6.3846 6.4626 6.4626 6.8499 6.8499 k = 0.1944 0.3555-0.0000 ( 22388 PWs) bands (ev): -42.2012 -42.2012 -42.1822 -42.1822 -42.1802 -42.1802 -42.1616 -42.1616 -27.3333 -27.3333 -27.3241 -27.3241 -11.0463 -11.0463 -11.0055 -11.0055 -10.7996 -10.7996 -10.7628 -10.7628 -10.7524 -10.7524 -10.7187 -10.7187 -5.6941 -5.6941 -5.5361 -5.5361 1.5023 1.5023 1.6486 1.6486 1.9517 1.9517 2.1199 2.1199 2.5718 2.5718 2.7425 2.7425 6.2389 6.2389 6.4523 6.4523 6.4868 6.4868 6.8759 6.8759 k = 0.1806 0.3555-0.0000 ( 22400 PWs) bands (ev): -42.2015 -42.2015 -42.1825 -42.1825 -42.1799 -42.1799 -42.1613 -42.1613 -27.3335 -27.3335 -27.3241 -27.3241 -11.0464 -11.0464 -11.0043 -11.0043 -10.7996 -10.7996 -10.7620 -10.7620 -10.7519 -10.7519 -10.7174 -10.7174 -5.7002 -5.7002 -5.5382 -5.5382 1.4897 1.4897 1.6346 1.6346 1.9716 1.9716 2.1092 2.1092 2.6278 2.6278 2.7693 2.7693 6.2929 6.2929 6.4724 6.4724 6.5310 6.5310 6.9220 6.9220 k = 0.1667 0.3555-0.0000 ( 22412 PWs) bands (ev): -42.2018 -42.2018 -42.1828 -42.1828 -42.1796 -42.1796 -42.1611 -42.1611 -27.3338 -27.3338 -27.3241 -27.3241 -11.0464 -11.0464 -11.0031 -11.0031 -10.7995 -10.7995 -10.7614 -10.7614 -10.7514 -10.7514 -10.7161 -10.7161 -5.7059 -5.7059 -5.5402 -5.5402 1.4738 1.4738 1.6220 1.6220 1.9924 1.9924 2.1005 2.1005 2.6773 2.6773 2.8042 2.8042 6.3503 6.3503 6.4538 6.4538 6.5928 6.5928 6.9389 6.9389 k = 0.1528 0.3555-0.0000 ( 22420 PWs) bands (ev): -42.2021 -42.2021 -42.1831 -42.1831 -42.1794 -42.1794 -42.1608 -42.1608 -27.3340 -27.3340 -27.3240 -27.3240 -11.0465 -11.0465 -11.0021 -11.0021 -10.7994 -10.7994 -10.7608 -10.7608 -10.7508 -10.7508 -10.7148 -10.7148 -5.7113 -5.7113 -5.5422 -5.5422 1.4561 1.4561 1.6106 1.6106 2.0081 2.0081 2.0996 2.0996 2.7147 2.7147 2.8512 2.8512 6.4092 6.4092 6.4257 6.4257 6.6497 6.6497 6.8841 6.8841 k = 0.1389 0.3555-0.0000 ( 22404 PWs) bands (ev): -42.2023 -42.2023 -42.1833 -42.1833 -42.1791 -42.1791 -42.1606 -42.1606 -27.3342 -27.3342 -27.3240 -27.3240 -11.0466 -11.0466 -11.0011 -11.0011 -10.7994 -10.7994 -10.7602 -10.7602 -10.7503 -10.7503 -10.7136 -10.7136 -5.7162 -5.7162 -5.5441 -5.5441 1.4377 1.4377 1.6004 1.6004 2.0126 2.0126 2.1117 2.1117 2.7406 2.7406 2.9081 2.9081 6.3880 6.3880 6.4752 6.4752 6.6958 6.6958 6.8354 6.8354 k = 0.1250 0.3555-0.0000 ( 22400 PWs) bands (ev): -42.2025 -42.2025 -42.1835 -42.1835 -42.1789 -42.1789 -42.1603 -42.1603 -27.3344 -27.3344 -27.3240 -27.3240 -11.0466 -11.0466 -11.0003 -11.0003 -10.7993 -10.7993 -10.7597 -10.7597 -10.7497 -10.7497 -10.7125 -10.7125 -5.7208 -5.7208 -5.5459 -5.5459 1.4196 1.4196 1.5912 1.5912 2.0075 2.0075 2.1346 2.1346 2.7591 2.7591 2.9698 2.9698 6.3500 6.3500 6.5412 6.5412 6.7129 6.7129 6.8121 6.8121 k = 0.1111 0.3555-0.0000 ( 22400 PWs) bands (ev): -42.2027 -42.2027 -42.1837 -42.1837 -42.1787 -42.1787 -42.1601 -42.1601 -27.3346 -27.3346 -27.3240 -27.3240 -11.0467 -11.0467 -10.9995 -10.9995 -10.7993 -10.7993 -10.7592 -10.7592 -10.7492 -10.7492 -10.7114 -10.7114 -5.7250 -5.7250 -5.5476 -5.5476 1.4024 1.4024 1.5830 1.5830 1.9982 1.9982 2.1622 2.1622 2.7734 2.7734 3.0319 3.0319 6.3110 6.3110 6.6091 6.6091 6.6859 6.6859 6.8300 6.8300 k = 0.0972 0.3555-0.0000 ( 22382 PWs) bands (ev): -42.2029 -42.2029 -42.1839 -42.1839 -42.1785 -42.1785 -42.1600 -42.1600 -27.3347 -27.3347 -27.3240 -27.3240 -11.0467 -11.0467 -10.9988 -10.9988 -10.7993 -10.7993 -10.7588 -10.7588 -10.7488 -10.7488 -10.7104 -10.7104 -5.7287 -5.7287 -5.5491 -5.5491 1.3864 1.3864 1.5757 1.5757 1.9877 1.9877 2.1906 2.1906 2.7848 2.7848 3.0919 3.0919 6.2725 6.2725 6.6409 6.6409 6.6817 6.6817 6.8604 6.8604 k = 0.0833 0.3555-0.0000 ( 22402 PWs) bands (ev): -42.2031 -42.2031 -42.1841 -42.1841 -42.1784 -42.1784 -42.1598 -42.1598 -27.3348 -27.3348 -27.3240 -27.3240 -11.0468 -11.0468 -10.9982 -10.9982 -10.7993 -10.7993 -10.7584 -10.7584 -10.7484 -10.7484 -10.7096 -10.7096 -5.7319 -5.7319 -5.5505 -5.5505 1.3721 1.3721 1.5695 1.5695 1.9777 1.9777 2.2177 2.2177 2.7940 2.7940 3.1480 3.1480 6.2357 6.2357 6.5999 6.5999 6.7504 6.7504 6.8900 6.8900 k = 0.0694 0.3555-0.0000 ( 22406 PWs) bands (ev): -42.2032 -42.2032 -42.1842 -42.1842 -42.1782 -42.1782 -42.1597 -42.1597 -27.3350 -27.3350 -27.3240 -27.3240 -11.0468 -11.0468 -10.9977 -10.9977 -10.7993 -10.7993 -10.7580 -10.7580 -10.7480 -10.7480 -10.7088 -10.7088 -5.7347 -5.7347 -5.5517 -5.5517 1.3597 1.3597 1.5642 1.5642 1.9686 1.9686 2.2424 2.2424 2.8015 2.8015 3.1985 3.1985 6.2017 6.2017 6.5615 6.5615 6.8176 6.8176 6.9177 6.9177 k = 0.0556 0.3555-0.0000 ( 22418 PWs) bands (ev): -42.2033 -42.2033 -42.1843 -42.1843 -42.1781 -42.1781 -42.1596 -42.1596 -27.3351 -27.3351 -27.3240 -27.3240 -11.0469 -11.0469 -10.9973 -10.9973 -10.7993 -10.7993 -10.7577 -10.7577 -10.7477 -10.7477 -10.7082 -10.7082 -5.7370 -5.7370 -5.5527 -5.5527 1.3493 1.3493 1.5598 1.5598 1.9609 1.9609 2.2637 2.2637 2.8075 2.8075 3.2420 3.2420 6.1718 6.1718 6.5284 6.5284 6.8751 6.8751 6.9487 6.9487 k = 0.0417 0.3555-0.0000 ( 22410 PWs) bands (ev): -42.2034 -42.2034 -42.1844 -42.1844 -42.1781 -42.1781 -42.1595 -42.1595 -27.3351 -27.3351 -27.3240 -27.3240 -11.0469 -11.0469 -10.9970 -10.9970 -10.7993 -10.7993 -10.7575 -10.7575 -10.7475 -10.7475 -10.7077 -10.7077 -5.7387 -5.7387 -5.5535 -5.5535 1.3412 1.3412 1.5564 1.5564 1.9548 1.9548 2.2810 2.2810 2.8120 2.8120 3.2773 3.2773 6.1470 6.1470 6.5016 6.5016 6.9111 6.9111 6.9920 6.9920 k = 0.0278 0.3555-0.0000 ( 22408 PWs) bands (ev): -42.2035 -42.2035 -42.1844 -42.1844 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9967 -10.9967 -10.7993 -10.7993 -10.7573 -10.7573 -10.7473 -10.7473 -10.7073 -10.7073 -5.7400 -5.7400 -5.5541 -5.5541 1.3353 1.3353 1.5540 1.5540 1.9503 1.9503 2.2937 2.2937 2.8152 2.8152 3.3034 3.3034 6.1285 6.1285 6.4820 6.4820 6.9286 6.9286 7.0405 7.0405 k = 0.0139 0.3555-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9966 -10.9966 -10.7993 -10.7993 -10.7572 -10.7572 -10.7472 -10.7472 -10.7071 -10.7071 -5.7408 -5.7408 -5.5544 -5.5544 1.3317 1.3317 1.5525 1.5525 1.9476 1.9476 2.3015 2.3015 2.8171 2.8171 3.3194 3.3194 6.1171 6.1171 6.4700 6.4700 6.9368 6.9368 7.0778 7.0778 k = 0.0000 0.3555-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9966 -10.9966 -10.7993 -10.7993 -10.7572 -10.7572 -10.7472 -10.7472 -10.7070 -10.7070 -5.7410 -5.7410 -5.5546 -5.5546 1.3305 1.3305 1.5521 1.5521 1.9467 1.9467 2.3041 2.3041 2.8178 2.8178 3.3248 3.3248 6.1132 6.1132 6.4660 6.4660 6.9392 6.9392 7.0919 7.0919 k = 0.0000 0.3555-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9966 -10.9966 -10.7993 -10.7993 -10.7572 -10.7572 -10.7472 -10.7472 -10.7070 -10.7070 -5.7410 -5.7410 -5.5546 -5.5546 1.3305 1.3305 1.5521 1.5521 1.9467 1.9467 2.3041 2.3041 2.8178 2.8178 3.3248 3.3248 6.1132 6.1132 6.4660 6.4660 6.9392 6.9392 7.0919 7.0919 k = 0.0000 0.3418-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9965 -10.9965 -10.7993 -10.7993 -10.7572 -10.7572 -10.7471 -10.7471 -10.7070 -10.7070 -5.7415 -5.7415 -5.5544 -5.5544 1.3323 1.3323 1.5520 1.5520 1.9483 1.9483 2.3044 2.3044 2.8182 2.8182 3.3250 3.3250 6.0992 6.0992 6.4663 6.4663 6.9281 6.9281 7.0895 7.0895 k = 0.0000 0.3282-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1780 -42.1780 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9965 -10.9965 -10.7993 -10.7993 -10.7572 -10.7572 -10.7471 -10.7471 -10.7070 -10.7070 -5.7429 -5.7429 -5.5540 -5.5540 1.3378 1.3378 1.5520 1.5520 1.9533 1.9533 2.3050 2.3050 2.8194 2.8194 3.3255 3.3255 6.0593 6.0593 6.4662 6.4662 6.8969 6.8969 7.0836 7.0836 k = 0.0000 0.3145-0.0000 ( 22418 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9964 -10.9964 -10.7993 -10.7993 -10.7571 -10.7571 -10.7470 -10.7470 -10.7070 -10.7070 -5.7451 -5.7451 -5.5532 -5.5532 1.3468 1.3468 1.5519 1.5519 1.9614 1.9614 2.3062 2.3062 2.8214 2.8214 3.3265 3.3265 5.9978 5.9978 6.4639 6.4639 6.8505 6.8505 7.0755 7.0755 k = 0.0000 0.3008-0.0000 ( 22404 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9963 -10.9963 -10.7993 -10.7993 -10.7571 -10.7571 -10.7468 -10.7468 -10.7070 -10.7070 -5.7481 -5.7481 -5.5523 -5.5523 1.3593 1.3593 1.5518 1.5518 1.9726 1.9726 2.3078 2.3078 2.8242 2.8242 3.3278 3.3278 5.9198 5.9198 6.4579 6.4579 6.7937 6.7937 7.0659 7.0659 k = 0.0000 0.2871-0.0000 ( 22394 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9962 -10.9962 -10.7993 -10.7993 -10.7571 -10.7571 -10.7467 -10.7467 -10.7070 -10.7070 -5.7519 -5.7519 -5.5511 -5.5511 1.3754 1.3754 1.5517 1.5517 1.9869 1.9869 2.3098 2.3098 2.8276 2.8276 3.3294 3.3294 5.8296 5.8296 6.4470 6.4470 6.7301 6.7301 7.0547 7.0547 k = 0.0000 0.2735-0.0000 ( 22382 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9961 -10.9961 -10.7993 -10.7993 -10.7571 -10.7571 -10.7464 -10.7464 -10.7069 -10.7069 -5.7563 -5.7563 -5.5499 -5.5499 1.3948 1.3948 1.5516 1.5516 2.0041 2.0041 2.3123 2.3123 2.8318 2.8318 3.3313 3.3313 5.7308 5.7308 6.4300 6.4300 6.6631 6.6631 7.0419 7.0419 k = 0.0000 0.2598-0.0000 ( 22372 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9959 -10.9959 -10.7993 -10.7993 -10.7570 -10.7570 -10.7462 -10.7462 -10.7069 -10.7069 -5.7612 -5.7612 -5.5485 -5.5485 1.4175 1.4175 1.5516 1.5516 2.0239 2.0239 2.3152 2.3152 2.8366 2.8366 3.3335 3.3335 5.6260 5.6260 6.4043 6.4043 6.5970 6.5970 7.0274 7.0274 k = 0.0000 0.2461-0.0000 ( 22366 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9957 -10.9957 -10.7993 -10.7993 -10.7570 -10.7570 -10.7459 -10.7459 -10.7069 -10.7069 -5.7665 -5.7665 -5.5471 -5.5471 1.4431 1.4431 1.5518 1.5518 2.0462 2.0462 2.3185 2.3185 2.8420 2.8420 3.3360 3.3360 5.5175 5.5175 6.3653 6.3653 6.5381 6.5381 7.0114 7.0114 k = 0.0000 0.2324-0.0000 ( 22366 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9955 -10.9955 -10.7994 -10.7994 -10.7569 -10.7569 -10.7456 -10.7456 -10.7068 -10.7068 -5.7722 -5.7722 -5.5457 -5.5457 1.4712 1.4712 1.5527 1.5527 2.0706 2.0706 2.3222 2.3222 2.8479 2.8479 3.3388 3.3388 5.4069 5.4069 6.3092 6.3092 6.4917 6.4917 6.9941 6.9941 k = 0.0000 0.2188-0.0000 ( 22352 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9953 -10.9953 -10.7994 -10.7994 -10.7568 -10.7568 -10.7453 -10.7453 -10.7068 -10.7068 -5.7782 -5.7782 -5.5444 -5.5444 1.5002 1.5002 1.5556 1.5556 2.0968 2.0968 2.3263 2.3263 2.8542 2.8542 3.3417 3.3417 5.2956 5.2956 6.2380 6.2380 6.4572 6.4572 6.9755 6.9755 k = 0.0000 0.2051-0.0000 ( 22350 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9951 -10.9951 -10.7994 -10.7994 -10.7568 -10.7568 -10.7450 -10.7450 -10.7067 -10.7067 -5.7843 -5.7843 -5.5431 -5.5431 1.5245 1.5245 1.5661 1.5661 2.1244 2.1244 2.3308 2.3308 2.8609 2.8609 3.3447 3.3447 5.1847 5.1847 6.1575 6.1575 6.4302 6.4302 6.9559 6.9559 k = 0.0000 0.1914-0.0000 ( 22334 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9949 -10.9949 -10.7994 -10.7994 -10.7567 -10.7567 -10.7447 -10.7447 -10.7067 -10.7067 -5.7904 -5.7904 -5.5419 -5.5419 1.5355 1.5355 1.5925 1.5925 2.1528 2.1528 2.3358 2.3358 2.8678 2.8678 3.3479 3.3479 5.0752 5.0752 6.0724 6.0724 6.4072 6.4072 6.9355 6.9355 k = 0.0000 0.1778-0.0000 ( 22344 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9947 -10.9947 -10.7994 -10.7994 -10.7566 -10.7566 -10.7444 -10.7444 -10.7067 -10.7067 -5.7965 -5.7965 -5.5408 -5.5408 1.5386 1.5386 1.6291 1.6291 2.1814 2.1814 2.3414 2.3414 2.8749 2.8749 3.3512 3.3512 4.9680 4.9680 5.9854 5.9854 6.3866 6.3866 6.9147 6.9147 k = 0.0000 0.1641-0.0000 ( 22340 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9945 -10.9945 -10.7994 -10.7994 -10.7565 -10.7565 -10.7440 -10.7440 -10.7066 -10.7066 -5.8024 -5.8024 -5.5399 -5.5399 1.5394 1.5394 1.6702 1.6702 2.2095 2.2095 2.3476 2.3476 2.8821 2.8821 3.3545 3.3545 4.8639 4.8639 5.8985 5.8985 6.3676 6.3676 6.8936 6.8936 k = 0.0000 0.1504-0.0000 ( 22354 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9942 -10.9942 -10.7994 -10.7994 -10.7564 -10.7564 -10.7437 -10.7437 -10.7066 -10.7066 -5.8082 -5.8082 -5.5390 -5.5390 1.5393 1.5393 1.7138 1.7138 2.2363 2.2363 2.3548 2.3548 2.8892 2.8892 3.3578 3.3578 4.7638 4.7638 5.8130 5.8130 6.3499 6.3499 6.8727 6.8727 k = 0.0000 0.1367-0.0000 ( 22344 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9940 -10.9940 -10.7994 -10.7994 -10.7563 -10.7563 -10.7434 -10.7434 -10.7065 -10.7065 -5.8137 -5.8137 -5.5383 -5.5383 1.5390 1.5390 1.7590 1.7590 2.2608 2.2608 2.3630 2.3630 2.8963 2.8963 3.3610 3.3610 4.6685 4.6685 5.7299 5.7299 6.3336 6.3336 6.8522 6.8522 k = 0.0000 0.1231-0.0000 ( 22362 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9938 -10.9938 -10.7994 -10.7994 -10.7562 -10.7562 -10.7431 -10.7431 -10.7065 -10.7065 -5.8189 -5.8189 -5.5377 -5.5377 1.5384 1.5384 1.8053 1.8053 2.2821 2.2821 2.3725 2.3725 2.9031 2.9031 3.3641 3.3641 4.5788 4.5788 5.6505 5.6505 6.3185 6.3185 6.8324 6.8324 k = 0.0000 0.1094-0.0000 ( 22368 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9936 -10.9936 -10.7994 -10.7994 -10.7562 -10.7562 -10.7429 -10.7429 -10.7064 -10.7064 -5.8237 -5.8237 -5.5371 -5.5371 1.5379 1.5379 1.8518 1.8518 2.2999 2.2999 2.3830 2.3830 2.9097 2.9097 3.3670 3.3670 4.4955 4.4955 5.5756 5.5756 6.3047 6.3047 6.8137 6.8137 k = 0.0000 0.0957-0.0000 ( 22387 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0468 -11.0468 -10.9935 -10.9935 -10.7994 -10.7994 -10.7561 -10.7561 -10.7426 -10.7426 -10.7064 -10.7064 -5.8281 -5.8281 -5.5367 -5.5367 1.5373 1.5373 1.8978 1.8978 2.3141 2.3141 2.3937 2.3937 2.9158 2.9158 3.3698 3.3698 4.4196 4.4196 5.5062 5.5062 6.2924 6.2924 6.7964 6.7964 k = 0.0000 0.0820-0.0000 ( 22385 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9933 -10.9933 -10.7994 -10.7994 -10.7560 -10.7560 -10.7424 -10.7424 -10.7064 -10.7064 -5.8319 -5.8319 -5.5364 -5.5364 1.5367 1.5367 1.9424 1.9424 2.3254 2.3254 2.4034 2.4034 2.9214 2.9214 3.3723 3.3723 4.3517 4.3517 5.4434 5.4434 6.2816 6.2816 6.7808 6.7808 k = 0.0000 0.0684-0.0000 ( 22385 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9932 -10.9932 -10.7995 -10.7995 -10.7560 -10.7560 -10.7422 -10.7422 -10.7063 -10.7063 -5.8353 -5.8353 -5.5361 -5.5361 1.5362 1.5362 1.9843 1.9843 2.3349 2.3349 2.4107 2.4107 2.9265 2.9265 3.3746 3.3746 4.2928 4.2928 5.3881 5.3881 6.2723 6.2723 6.7671 6.7671 k = 0.0000 0.0547-0.0000 ( 22391 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9930 -10.9930 -10.7995 -10.7995 -10.7559 -10.7559 -10.7420 -10.7420 -10.7063 -10.7063 -5.8381 -5.8381 -5.5359 -5.5359 1.5358 1.5358 2.0222 2.0222 2.3431 2.3431 2.4148 2.4148 2.9307 2.9307 3.3765 3.3765 4.2436 4.2436 5.3413 5.3413 6.2646 6.2646 6.7555 6.7555 k = 0.0000 0.0410-0.0000 ( 22395 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9930 -10.9930 -10.7995 -10.7995 -10.7559 -10.7559 -10.7419 -10.7419 -10.7063 -10.7063 -5.8403 -5.8403 -5.5357 -5.5357 1.5354 1.5354 2.0544 2.0544 2.3507 2.3507 2.4156 2.4156 2.9342 2.9342 3.3780 3.3780 4.2047 4.2047 5.3038 5.3038 6.2585 6.2585 6.7463 6.7463 k = 0.0000 0.0273-0.0000 ( 22403 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9929 -10.9929 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8418 -5.8418 -5.5356 -5.5356 1.5352 1.5352 2.0792 2.0792 2.3577 2.3577 2.4136 2.4136 2.9367 2.9367 3.3792 3.3792 4.1766 4.1766 5.2764 5.2764 6.2542 6.2542 6.7396 6.7396 k = 0.0000 0.0137-0.0000 ( 22399 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9929 -10.9929 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8428 -5.8428 -5.5356 -5.5356 1.5350 1.5350 2.0949 2.0949 2.3633 2.3633 2.4106 2.4106 2.9383 2.9383 3.3799 3.3799 4.1595 4.1595 5.2598 5.2598 6.2516 6.2516 6.7356 6.7356 k = 0.0000 0.0000 0.0000 ( 22389 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9928 -10.9928 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8431 -5.8431 -5.5355 -5.5355 1.5350 1.5350 2.1003 2.1003 2.3655 2.3655 2.4090 2.4090 2.9388 2.9388 3.3801 3.3801 4.1539 4.1539 5.2542 5.2542 6.2507 6.2507 6.7342 6.7342 k = 0.0000 0.0000 0.0000 ( 22389 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9928 -10.9928 -10.7995 -10.7995 -10.7558 -10.7558 -10.7418 -10.7418 -10.7063 -10.7063 -5.8431 -5.8431 -5.5355 -5.5355 1.5350 1.5350 2.1003 2.1003 2.3655 2.3655 2.4090 2.4090 2.9388 2.9388 3.3801 3.3801 4.1539 4.1539 5.2542 5.2542 6.2507 6.2507 6.7342 6.7342 k = 0.0000 0.0000 0.0138 ( 22379 PWs) bands (ev): -42.2035 -42.2035 -42.1846 -42.1846 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0467 -11.0467 -10.9929 -10.9929 -10.7994 -10.7994 -10.7558 -10.7558 -10.7417 -10.7417 -10.7063 -10.7063 -5.8427 -5.8427 -5.5358 -5.5358 1.5341 1.5341 2.1005 2.1005 2.3662 2.3662 2.4115 2.4115 2.9331 2.9331 3.3783 3.3783 4.1625 4.1625 5.2514 5.2514 6.2514 6.2514 6.7380 6.7380 k = 0.0000 0.0000 0.0277 ( 22381 PWs) bands (ev): -42.2035 -42.2035 -42.1848 -42.1848 -42.1776 -42.1776 -42.1594 -42.1594 -27.3352 -27.3352 -27.3241 -27.3241 -11.0465 -11.0465 -10.9931 -10.9931 -10.7992 -10.7992 -10.7559 -10.7559 -10.7417 -10.7417 -10.7066 -10.7066 -5.8416 -5.8416 -5.5367 -5.5367 1.5316 1.5316 2.1009 2.1009 2.3684 2.3684 2.4189 2.4189 2.9164 2.9164 3.3729 3.3729 4.1878 4.1878 5.2435 5.2435 6.2533 6.2533 6.7493 6.7493 k = 0.0000 0.0000 0.0415 ( 22379 PWs) bands (ev): -42.2034 -42.2034 -42.1851 -42.1851 -42.1773 -42.1773 -42.1595 -42.1595 -27.3351 -27.3351 -27.3241 -27.3241 -11.0462 -11.0462 -10.9934 -10.9934 -10.7988 -10.7988 -10.7560 -10.7560 -10.7417 -10.7417 -10.7070 -10.7070 -5.8398 -5.8398 -5.5381 -5.5381 1.5275 1.5275 2.1015 2.1015 2.3720 2.3720 2.4307 2.4307 2.8905 2.8905 3.3642 3.3642 4.2281 4.2281 5.2306 5.2306 6.2567 6.2567 6.7677 6.7677 k = 0.0000 0.0000 0.0553 ( 22373 PWs) bands (ev): -42.2033 -42.2033 -42.1855 -42.1855 -42.1769 -42.1769 -42.1596 -42.1596 -27.3350 -27.3350 -27.3242 -27.3242 -11.0459 -11.0459 -10.9938 -10.9938 -10.7983 -10.7983 -10.7561 -10.7561 -10.7416 -10.7416 -10.7075 -10.7075 -5.8372 -5.8372 -5.5400 -5.5400 1.5222 1.5222 2.1021 2.1021 2.3772 2.3772 2.4465 2.4465 2.8575 2.8575 3.3525 3.3525 4.2812 4.2812 5.2135 5.2135 6.2614 6.2614 6.7927 6.7927 k = 0.0000 0.0000 0.0692 ( 22377 PWs) bands (ev): -42.2032 -42.2032 -42.1860 -42.1860 -42.1764 -42.1764 -42.1597 -42.1597 -27.3349 -27.3349 -27.3243 -27.3243 -11.0454 -11.0454 -10.9943 -10.9943 -10.7977 -10.7977 -10.7563 -10.7563 -10.7415 -10.7415 -10.7082 -10.7082 -5.8339 -5.8339 -5.5425 -5.5425 1.5161 1.5161 2.1023 2.1023 2.3839 2.3839 2.4656 2.4656 2.8200 2.8200 3.3380 3.3380 4.3446 4.3446 5.1928 5.1928 6.2675 6.2675 6.8238 6.8238 k = 0.0000 0.0000 0.0830 ( 22385 PWs) bands (ev): -42.2031 -42.2031 -42.1866 -42.1866 -42.1759 -42.1759 -42.1598 -42.1598 -27.3348 -27.3348 -27.3244 -27.3244 -11.0448 -11.0448 -10.9949 -10.9949 -10.7970 -10.7970 -10.7566 -10.7566 -10.7415 -10.7415 -10.7091 -10.7091 -5.8298 -5.8298 -5.5456 -5.5456 1.5095 1.5095 2.1017 2.1017 2.3920 2.3920 2.4872 2.4872 2.7804 2.7804 3.3209 3.3209 4.4162 4.4162 5.1695 5.1695 6.2752 6.2752 6.8603 6.8603 k = 0.0000 0.0000 0.0968 ( 22381 PWs) bands (ev): -42.2029 -42.2029 -42.1871 -42.1871 -42.1753 -42.1753 -42.1599 -42.1599 -27.3346 -27.3346 -27.3246 -27.3246 -11.0442 -11.0442 -10.9957 -10.9957 -10.7961 -10.7961 -10.7568 -10.7568 -10.7413 -10.7413 -10.7100 -10.7100 -5.8252 -5.8252 -5.5492 -5.5492 1.5028 1.5028 2.0995 2.0995 2.4015 2.4015 2.5103 2.5103 2.7416 2.7416 3.3015 3.3015 4.4939 4.4939 5.1445 5.1445 6.2844 6.2844 6.9045 6.9046 k = 0.0000 0.0000 0.1106 ( 22385 PWs) bands (ev): -42.2028 -42.2028 -42.1877 -42.1877 -42.1747 -42.1747 -42.1601 -42.1601 -27.3345 -27.3345 -27.3248 -27.3248 -11.0434 -11.0434 -10.9965 -10.9965 -10.7951 -10.7951 -10.7572 -10.7572 -10.7412 -10.7412 -10.7111 -10.7111 -5.8198 -5.8198 -5.5533 -5.5533 1.4965 1.4965 2.0951 2.0951 2.4123 2.4123 2.5335 2.5335 2.7062 2.7062 3.2799 3.2799 4.5759 4.5759 5.1187 5.1187 6.2950 6.2950 6.8793 6.8793 k = 0.0000 0.0000 0.1245 ( 22389 PWs) bands (ev): -42.2026 -42.2026 -42.1883 -42.1883 -42.1741 -42.1741 -42.1603 -42.1603 -27.3343 -27.3343 -27.3249 -27.3249 -11.0425 -11.0425 -10.9975 -10.9975 -10.7940 -10.7940 -10.7575 -10.7575 -10.7410 -10.7410 -10.7123 -10.7123 -5.8139 -5.8139 -5.5580 -5.5580 1.4908 1.4908 2.0874 2.0874 2.4241 2.4241 2.5547 2.5547 2.6779 2.6779 3.2564 3.2564 4.6607 4.6607 5.0932 5.0932 6.3071 6.3071 6.8489 6.8489 k = 0.0000 0.0000 0.1383 ( 22397 PWs) bands (ev): -42.2023 -42.2023 -42.1889 -42.1889 -42.1735 -42.1735 -42.1605 -42.1605 -27.3341 -27.3341 -27.3252 -27.3252 -11.0416 -11.0416 -10.9985 -10.9985 -10.7928 -10.7928 -10.7579 -10.7579 -10.7408 -10.7408 -10.7136 -10.7136 -5.8074 -5.8074 -5.5632 -5.5632 1.4862 1.4862 2.0755 2.0755 2.4368 2.4368 2.5699 2.5699 2.6618 2.6618 3.2311 3.2311 4.7467 4.7467 5.0689 5.0689 6.3206 6.3206 6.8134 6.8134 k = 0.0000 0.0000 0.1521 ( 22389 PWs) bands (ev): -42.2021 -42.2021 -42.1896 -42.1896 -42.1729 -42.1729 -42.1608 -42.1608 -27.3338 -27.3338 -27.3254 -27.3254 -11.0405 -11.0405 -10.9997 -10.9997 -10.7915 -10.7915 -10.7584 -10.7584 -10.7406 -10.7406 -10.7150 -10.7150 -5.8003 -5.8003 -5.5688 -5.5688 1.4828 1.4828 2.0588 2.0588 2.4501 2.4501 2.5755 2.5755 2.6621 2.6621 3.2043 3.2043 4.8320 4.8320 5.0467 5.0467 6.3355 6.3355 6.7734 6.7734 k = 0.0000 0.0000 0.1660 ( 22385 PWs) bands (ev): -42.2018 -42.2018 -42.1902 -42.1902 -42.1723 -42.1723 -42.1610 -42.1610 -27.3336 -27.3336 -27.3256 -27.3256 -11.0394 -11.0394 -11.0009 -11.0009 -10.7902 -10.7902 -10.7590 -10.7590 -10.7404 -10.7404 -10.7164 -10.7164 -5.7927 -5.7927 -5.5750 -5.5750 1.4811 1.4811 2.0370 2.0370 2.4638 2.4638 2.5756 2.5756 2.6750 2.6750 3.1762 3.1762 4.9148 4.9148 5.0280 5.0280 6.3516 6.3516 6.7306 6.7306 k = 0.0000 0.0000 0.1798 ( 22383 PWs) bands (ev): -42.2015 -42.2015 -42.1908 -42.1908 -42.1717 -42.1717 -42.1613 -42.1613 -27.3333 -27.3333 -27.3259 -27.3259 -11.0381 -11.0381 -11.0022 -11.0022 -10.7887 -10.7887 -10.7595 -10.7595 -10.7401 -10.7401 -10.7179 -10.7179 -5.7847 -5.7847 -5.5816 -5.5816 1.4812 1.4812 2.0102 2.0102 2.4779 2.4779 2.5775 2.5775 2.6925 2.6925 3.1469 3.1469 4.9876 4.9876 5.0187 5.0187 6.3689 6.3689 6.6876 6.6876 k = 0.0000 0.0000 0.1936 ( 22361 PWs) bands (ev): -42.2012 -42.2012 -42.1914 -42.1914 -42.1711 -42.1711 -42.1616 -42.1616 -27.3330 -27.3330 -27.3262 -27.3262 -11.0368 -11.0368 -11.0037 -11.0037 -10.7872 -10.7872 -10.7602 -10.7602 -10.7398 -10.7398 -10.7194 -10.7194 -5.7762 -5.7762 -5.5887 -5.5887 1.4832 1.4832 1.9794 1.9794 2.4924 2.4924 2.5842 2.5842 2.7101 2.7101 3.1169 3.1169 4.9962 4.9962 5.0716 5.0716 6.3872 6.3872 6.6477 6.6477 k = 0.0000 0.0000 0.2075 ( 22365 PWs) bands (ev): -42.2009 -42.2009 -42.1920 -42.1920 -42.1705 -42.1705 -42.1619 -42.1619 -27.3327 -27.3327 -27.3265 -27.3265 -11.0354 -11.0354 -11.0051 -11.0051 -10.7856 -10.7856 -10.7609 -10.7609 -10.7394 -10.7394 -10.7209 -10.7209 -5.7673 -5.7673 -5.5962 -5.5962 1.4874 1.4874 1.9454 1.9454 2.5079 2.5079 2.5957 2.5957 2.7260 2.7260 3.0862 3.0862 4.9908 4.9908 5.1347 5.1347 6.4065 6.4065 6.6141 6.6141 k = 0.0000 0.0000 0.2213 ( 22361 PWs) bands (ev): -42.2005 -42.2005 -42.1926 -42.1926 -42.1699 -42.1699 -42.1622 -42.1622 -27.3324 -27.3324 -27.3268 -27.3268 -11.0340 -11.0340 -11.0067 -11.0067 -10.7840 -10.7840 -10.7617 -10.7617 -10.7390 -10.7390 -10.7225 -10.7225 -5.7581 -5.7581 -5.6041 -5.6041 1.4939 1.4939 1.9094 1.9094 2.5245 2.5245 2.6113 2.6113 2.7390 2.7390 3.0552 3.0552 4.9899 4.9899 5.1875 5.1875 6.4266 6.4266 6.5898 6.5898 k = 0.0000 0.0000 0.2351 ( 22375 PWs) bands (ev): -42.2002 -42.2002 -42.1932 -42.1932 -42.1694 -42.1694 -42.1626 -42.1626 -27.3321 -27.3321 -27.3271 -27.3271 -11.0324 -11.0324 -11.0083 -11.0083 -10.7824 -10.7824 -10.7626 -10.7626 -10.7385 -10.7385 -10.7240 -10.7240 -5.7487 -5.7487 -5.6124 -5.6124 1.5028 1.5028 1.8722 1.8722 2.5425 2.5425 2.6297 2.6297 2.7486 2.7486 3.0239 3.0239 4.9943 4.9943 5.2269 5.2269 6.4473 6.4473 6.5767 6.5767 k = 0.0000 0.0000 0.2490 ( 22369 PWs) bands (ev): -42.1998 -42.1998 -42.1938 -42.1938 -42.1688 -42.1688 -42.1630 -42.1630 -27.3318 -27.3318 -27.3275 -27.3275 -11.0308 -11.0308 -11.0099 -11.0099 -10.7807 -10.7807 -10.7636 -10.7636 -10.7379 -10.7379 -10.7255 -10.7255 -5.7389 -5.7389 -5.6210 -5.6210 1.5141 1.5141 1.8349 1.8349 2.5619 2.5619 2.6499 2.6499 2.7547 2.7547 2.9928 2.9928 5.0044 5.0044 5.2517 5.2517 6.4685 6.4685 6.5746 6.5746 k = 0.0000 0.0000 0.2628 ( 22377 PWs) bands (ev): -42.1994 -42.1994 -42.1944 -42.1944 -42.1682 -42.1682 -42.1634 -42.1634 -27.3314 -27.3314 -27.3278 -27.3278 -11.0292 -11.0292 -11.0116 -11.0116 -10.7791 -10.7791 -10.7646 -10.7646 -10.7373 -10.7373 -10.7270 -10.7270 -5.7290 -5.7290 -5.6300 -5.6300 1.5280 1.5280 1.7980 1.7980 2.5824 2.5824 2.6708 2.6708 2.7575 2.7575 2.9619 2.9619 5.0200 5.0200 5.2616 5.2616 6.4898 6.4898 6.5810 6.5810 k = 0.0000 0.0000 0.2766 ( 22359 PWs) bands (ev): -42.1989 -42.1989 -42.1949 -42.1949 -42.1677 -42.1677 -42.1638 -42.1638 -27.3311 -27.3311 -27.3282 -27.3282 -11.0275 -11.0275 -11.0133 -11.0133 -10.7774 -10.7774 -10.7657 -10.7657 -10.7367 -10.7367 -10.7284 -10.7284 -5.7190 -5.7190 -5.6392 -5.6392 1.5444 1.5444 1.7620 1.7620 2.6037 2.6037 2.6904 2.6904 2.7586 2.7586 2.9315 2.9315 5.0407 5.0407 5.2579 5.2579 6.5111 6.5111 6.5911 6.5911 k = 0.0000 0.0000 0.2905 ( 22355 PWs) bands (ev): -42.1985 -42.1985 -42.1955 -42.1955 -42.1671 -42.1671 -42.1642 -42.1642 -27.3307 -27.3307 -27.3285 -27.3285 -11.0258 -11.0258 -11.0151 -11.0151 -10.7758 -10.7758 -10.7670 -10.7670 -10.7359 -10.7359 -10.7297 -10.7297 -5.7089 -5.7089 -5.6487 -5.6487 1.5633 1.5633 1.7275 1.7275 2.6251 2.6251 2.7046 2.7046 2.7620 2.7620 2.9018 2.9018 5.0660 5.0660 5.2430 5.2430 6.5318 6.5318 6.5990 6.5990 k = 0.0000 0.0000 0.3043 ( 22361 PWs) bands (ev): -42.1980 -42.1980 -42.1960 -42.1960 -42.1666 -42.1666 -42.1647 -42.1647 -27.3303 -27.3303 -27.3289 -27.3289 -11.0240 -11.0240 -11.0169 -11.0169 -10.7742 -10.7742 -10.7683 -10.7683 -10.7351 -10.7351 -10.7309 -10.7309 -5.6987 -5.6987 -5.6585 -5.6585 1.5848 1.5848 1.6947 1.6947 2.6463 2.6463 2.7071 2.7071 2.7740 2.7740 2.8730 2.8730 5.0949 5.0949 5.2197 5.2197 6.5516 6.5516 6.6009 6.6009 k = 0.0000 0.0000 0.3181 ( 22357 PWs) bands (ev): -42.1976 -42.1976 -42.1965 -42.1965 -42.1661 -42.1661 -42.1651 -42.1651 -27.3300 -27.3300 -27.3292 -27.3292 -11.0223 -11.0223 -11.0187 -11.0187 -10.7726 -10.7726 -10.7696 -10.7696 -10.7342 -10.7342 -10.7321 -10.7321 -5.6885 -5.6885 -5.6684 -5.6684 1.6088 1.6088 1.6638 1.6638 2.6663 2.6663 2.6988 2.6988 2.7943 2.7943 2.8451 2.8451 5.1264 5.1264 5.1908 5.1908 6.5695 6.5695 6.5957 6.5957 k = 0.0000 0.0000 0.3319 ( 22356 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7711 -10.7711 -10.7711 -10.7711 -10.7332 -10.7332 -10.7332 -10.7332 -5.6784 -5.6784 -5.6784 -5.6784 1.6351 1.6351 1.6351 1.6351 2.6843 2.6843 2.6843 2.6843 2.8187 2.8187 2.8187 2.8187 5.1590 5.1590 5.1590 5.1590 6.5847 6.5847 6.5847 6.5847 k = 0.0000 0.0000 0.3319 ( 22356 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7711 -10.7711 -10.7711 -10.7711 -10.7332 -10.7332 -10.7332 -10.7332 -5.6784 -5.6784 -5.6784 -5.6784 1.6351 1.6351 1.6351 1.6351 2.6843 2.6843 2.6843 2.6843 2.8187 2.8187 2.8187 2.8187 5.1590 5.1590 5.1590 5.1590 6.5847 6.5847 6.5847 6.5847 k = 0.0139-0.0000 0.3319 ( 22356 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0208 -11.0208 -11.0203 -11.0203 -10.7726 -10.7726 -10.7696 -10.7696 -10.7345 -10.7345 -10.7320 -10.7320 -5.6781 -5.6781 -5.6781 -5.6781 1.6339 1.6339 1.6362 1.6362 2.6601 2.6601 2.7033 2.7033 2.7971 2.7971 2.8387 2.8387 5.1593 5.1593 5.1595 5.1595 6.5911 6.5911 6.5911 6.5911 k = 0.0278-0.0000 0.3319 ( 22368 PWs) bands (ev): -42.1971 -42.1971 -42.1969 -42.1969 -42.1657 -42.1657 -42.1656 -42.1656 -27.3296 -27.3296 -27.3296 -27.3296 -11.0212 -11.0212 -11.0201 -11.0201 -10.7742 -10.7742 -10.7681 -10.7681 -10.7358 -10.7358 -10.7309 -10.7309 -5.6773 -5.6773 -5.6772 -5.6772 1.6324 1.6324 1.6372 1.6372 2.6319 2.6319 2.7128 2.7128 2.7786 2.7786 2.8563 2.8563 5.1605 5.1605 5.1608 5.1608 6.6100 6.6100 6.6101 6.6101 k = 0.0417-0.0000 0.3319 ( 22356 PWs) bands (ev): -42.1970 -42.1970 -42.1969 -42.1969 -42.1658 -42.1658 -42.1656 -42.1656 -27.3296 -27.3296 -27.3296 -27.3296 -11.0216 -11.0216 -11.0200 -11.0200 -10.7758 -10.7758 -10.7667 -10.7667 -10.7373 -10.7373 -10.7299 -10.7299 -5.6758 -5.6758 -5.6757 -5.6757 1.6307 1.6307 1.6378 1.6378 2.6000 2.6000 2.7031 2.7031 2.7730 2.7730 2.8712 2.8712 5.1624 5.1624 5.1629 5.1629 6.6411 6.6411 6.6413 6.6413 k = 0.0556-0.0000 0.3319 ( 22360 PWs) bands (ev): -42.1970 -42.1970 -42.1968 -42.1968 -42.1658 -42.1658 -42.1657 -42.1657 -27.3295 -27.3295 -27.3295 -27.3295 -11.0221 -11.0221 -11.0200 -11.0200 -10.7773 -10.7773 -10.7653 -10.7653 -10.7388 -10.7388 -10.7290 -10.7290 -5.6739 -5.6739 -5.6737 -5.6737 1.6285 1.6285 1.6382 1.6382 2.5649 2.5649 2.6755 2.6755 2.7797 2.7797 2.8836 2.8836 5.1651 5.1651 5.1658 5.1658 6.6834 6.6834 6.6838 6.6838 k = 0.0694-0.0000 0.3319 ( 22374 PWs) bands (ev): -42.1969 -42.1969 -42.1967 -42.1967 -42.1659 -42.1659 -42.1658 -42.1658 -27.3295 -27.3295 -27.3295 -27.3295 -11.0227 -11.0227 -11.0201 -11.0201 -10.7790 -10.7790 -10.7640 -10.7640 -10.7404 -10.7404 -10.7281 -10.7281 -5.6713 -5.6713 -5.6711 -5.6711 1.6258 1.6258 1.6380 1.6380 2.5268 2.5268 2.6395 2.6395 2.7898 2.7898 2.8940 2.8940 5.1686 5.1686 5.1694 5.1694 6.7356 6.7356 6.7364 6.7364 k = 0.0833-0.0000 0.3319 ( 22384 PWs) bands (ev): -42.1968 -42.1968 -42.1966 -42.1966 -42.1660 -42.1660 -42.1659 -42.1659 -27.3294 -27.3294 -27.3294 -27.3294 -11.0233 -11.0233 -11.0203 -11.0203 -10.7806 -10.7806 -10.7628 -10.7628 -10.7421 -10.7421 -10.7274 -10.7274 -5.6682 -5.6682 -5.6679 -5.6679 1.6223 1.6223 1.6372 1.6372 2.4863 2.4863 2.5994 2.5994 2.8000 2.8000 2.9025 2.9025 5.1729 5.1729 5.1738 5.1738 6.7952 6.7952 6.7969 6.7969 k = 0.0972-0.0000 0.3319 ( 22374 PWs) bands (ev): -42.1967 -42.1967 -42.1965 -42.1965 -42.1662 -42.1662 -42.1660 -42.1660 -27.3294 -27.3294 -27.3294 -27.3294 -11.0240 -11.0240 -11.0206 -11.0206 -10.7822 -10.7822 -10.7616 -10.7616 -10.7437 -10.7437 -10.7268 -10.7268 -5.6646 -5.6646 -5.6643 -5.6643 1.6177 1.6177 1.6352 1.6352 2.4441 2.4441 2.5570 2.5570 2.8094 2.8094 2.9095 2.9095 5.1779 5.1779 5.1789 5.1789 6.8576 6.8576 6.8609 6.8609 k = 0.1111-0.0000 0.3319 ( 22368 PWs) bands (ev): -42.1965 -42.1965 -42.1964 -42.1964 -42.1663 -42.1663 -42.1661 -42.1661 -27.3293 -27.3293 -27.3293 -27.3293 -11.0248 -11.0248 -11.0209 -11.0209 -10.7838 -10.7838 -10.7606 -10.7606 -10.7454 -10.7454 -10.7262 -10.7262 -5.6605 -5.6605 -5.6602 -5.6602 1.6117 1.6117 1.6319 1.6319 2.4011 2.4011 2.5134 2.5134 2.8179 2.8179 2.9152 2.9152 5.1837 5.1837 5.1847 5.1847 6.9129 6.9129 6.9184 6.9184 k = 0.1250-0.0000 0.3319 ( 22376 PWs) bands (ev): -42.1964 -42.1964 -42.1962 -42.1962 -42.1665 -42.1665 -42.1663 -42.1663 -27.3292 -27.3292 -27.3292 -27.3292 -11.0256 -11.0256 -11.0214 -11.0214 -10.7854 -10.7854 -10.7598 -10.7598 -10.7469 -10.7469 -10.7257 -10.7257 -5.6560 -5.6560 -5.6556 -5.6556 1.6038 1.6038 1.6266 1.6266 2.3582 2.3582 2.4699 2.4699 2.8252 2.8252 2.9198 2.9198 5.1903 5.1903 5.1913 5.1913 6.9441 6.9441 6.9506 6.9506 k = 0.1389-0.0000 0.3319 ( 22344 PWs) bands (ev): -42.1962 -42.1962 -42.1960 -42.1960 -42.1666 -42.1666 -42.1665 -42.1665 -27.3291 -27.3291 -27.3291 -27.3291 -11.0265 -11.0265 -11.0219 -11.0219 -10.7870 -10.7870 -10.7592 -10.7592 -10.7482 -10.7482 -10.7253 -10.7253 -5.6510 -5.6510 -5.6505 -5.6505 1.5937 1.5937 1.6189 1.6189 2.3165 2.3165 2.4274 2.4274 2.8316 2.8316 2.9233 2.9233 5.1976 5.1976 5.1986 5.1986 6.9442 6.9442 6.9493 6.9493 k = 0.1528-0.0000 0.3319 ( 22346 PWs) bands (ev): -42.1960 -42.1960 -42.1958 -42.1958 -42.1668 -42.1668 -42.1666 -42.1666 -27.3290 -27.3290 -27.3290 -27.3290 -11.0274 -11.0274 -11.0225 -11.0225 -10.7885 -10.7885 -10.7592 -10.7592 -10.7491 -10.7491 -10.7249 -10.7249 -5.6456 -5.6456 -5.6451 -5.6451 1.5808 1.5808 1.6081 1.6081 2.2772 2.2772 2.3871 2.3871 2.8368 2.8368 2.9258 2.9258 5.2057 5.2057 5.2066 5.2066 6.9240 6.9240 6.9276 6.9276 k = 0.1667-0.0000 0.3319 ( 22346 PWs) bands (ev): -42.1958 -42.1958 -42.1956 -42.1956 -42.1670 -42.1670 -42.1669 -42.1669 -27.3289 -27.3289 -27.3289 -27.3289 -11.0284 -11.0284 -11.0232 -11.0232 -10.7900 -10.7900 -10.7597 -10.7597 -10.7495 -10.7495 -10.7247 -10.7247 -5.6398 -5.6398 -5.6393 -5.6393 1.5647 1.5647 1.5936 1.5936 2.2414 2.2414 2.3500 2.3500 2.8410 2.8410 2.9273 2.9273 5.2147 5.2147 5.2154 5.2154 6.8940 6.8940 6.8966 6.8966 k = 0.1806-0.0000 0.3319 ( 22338 PWs) bands (ev): -42.1956 -42.1956 -42.1954 -42.1954 -42.1672 -42.1672 -42.1671 -42.1671 -27.3288 -27.3288 -27.3288 -27.3288 -11.0294 -11.0294 -11.0240 -11.0240 -10.7914 -10.7914 -10.7608 -10.7608 -10.7494 -10.7494 -10.7244 -10.7244 -5.6337 -5.6337 -5.6332 -5.6332 1.5450 1.5450 1.5748 1.5748 2.2101 2.2101 2.3169 2.3169 2.8441 2.8441 2.9279 2.9279 5.2244 5.2244 5.2250 5.2250 6.8590 6.8590 6.8613 6.8613 k = 0.1944-0.0000 0.3319 ( 22340 PWs) bands (ev): -42.1953 -42.1953 -42.1952 -42.1952 -42.1674 -42.1674 -42.1673 -42.1673 -27.3287 -27.3287 -27.3287 -27.3287 -11.0305 -11.0305 -11.0249 -11.0249 -10.7928 -10.7928 -10.7623 -10.7623 -10.7490 -10.7490 -10.7243 -10.7243 -5.6273 -5.6273 -5.6268 -5.6268 1.5216 1.5216 1.5514 1.5514 2.1841 2.1841 2.2885 2.2885 2.8459 2.8459 2.9274 2.9274 5.2350 5.2350 5.2353 5.2353 6.8216 6.8216 6.8239 6.8239 k = 0.2083-0.0000 0.3319 ( 22336 PWs) bands (ev): -42.1951 -42.1951 -42.1949 -42.1949 -42.1677 -42.1677 -42.1675 -42.1675 -27.3286 -27.3286 -27.3286 -27.3286 -11.0316 -11.0316 -11.0258 -11.0258 -10.7941 -10.7941 -10.7640 -10.7640 -10.7482 -10.7482 -10.7242 -10.7242 -5.6207 -5.6207 -5.6202 -5.6202 1.4943 1.4943 1.5234 1.5234 2.1640 2.1640 2.2653 2.2653 2.8466 2.8466 2.9259 2.9259 5.2464 5.2464 5.2466 5.2466 6.7829 6.7829 6.7855 6.7855 k = 0.2222-0.0000 0.3319 ( 22346 PWs) bands (ev): -42.1948 -42.1948 -42.1947 -42.1947 -42.1679 -42.1679 -42.1678 -42.1678 -27.3284 -27.3284 -27.3284 -27.3284 -11.0327 -11.0327 -11.0268 -11.0268 -10.7953 -10.7953 -10.7659 -10.7659 -10.7474 -10.7474 -10.7241 -10.7241 -5.6139 -5.6139 -5.6133 -5.6133 1.4635 1.4635 1.4912 1.4912 2.1497 2.1497 2.2474 2.2474 2.8459 2.8459 2.9232 2.9232 5.2586 5.2586 5.2588 5.2588 6.7438 6.7438 6.7468 6.7468 k = 0.2361-0.0000 0.3319 ( 22338 PWs) bands (ev): -42.1946 -42.1946 -42.1944 -42.1944 -42.1682 -42.1682 -42.1680 -42.1680 -27.3283 -27.3283 -27.3283 -27.3283 -11.0338 -11.0338 -11.0279 -11.0279 -10.7965 -10.7965 -10.7679 -10.7679 -10.7465 -10.7465 -10.7241 -10.7241 -5.6070 -5.6070 -5.6064 -5.6064 1.4296 1.4296 1.4552 1.4552 2.1410 2.1410 2.2347 2.2347 2.8440 2.8440 2.9193 2.9193 5.2717 5.2717 5.2721 5.2721 6.7045 6.7045 6.7082 6.7082 k = 0.2500-0.0000 0.3319 ( 22324 PWs) bands (ev): -42.1943 -42.1943 -42.1941 -42.1941 -42.1684 -42.1684 -42.1683 -42.1683 -27.3282 -27.3282 -27.3282 -27.3282 -11.0350 -11.0350 -11.0290 -11.0290 -10.7976 -10.7976 -10.7699 -10.7699 -10.7456 -10.7456 -10.7241 -10.7241 -5.5999 -5.5999 -5.5994 -5.5994 1.3930 1.3930 1.4164 1.4164 2.1373 2.1373 2.2269 2.2269 2.8406 2.8406 2.9140 2.9140 5.2856 5.2856 5.2864 5.2864 6.6655 6.6655 6.6698 6.6698 k = 0.2639-0.0000 0.3319 ( 22326 PWs) bands (ev): -42.1940 -42.1940 -42.1939 -42.1939 -42.1687 -42.1687 -42.1686 -42.1686 -27.3281 -27.3281 -27.3281 -27.3281 -11.0361 -11.0361 -11.0302 -11.0302 -10.7985 -10.7985 -10.7720 -10.7720 -10.7446 -10.7446 -10.7242 -10.7242 -5.5928 -5.5928 -5.5923 -5.5923 1.3546 1.3546 1.3755 1.3755 2.1382 2.1382 2.2237 2.2237 2.8358 2.8358 2.9075 2.9075 5.3005 5.3005 5.3016 5.3016 6.6268 6.6268 6.6319 6.6319 k = 0.2778-0.0000 0.3319 ( 22304 PWs) bands (ev): -42.1937 -42.1937 -42.1936 -42.1936 -42.1690 -42.1690 -42.1688 -42.1688 -27.3279 -27.3279 -27.3279 -27.3279 -11.0373 -11.0373 -11.0315 -11.0315 -10.7994 -10.7994 -10.7740 -10.7740 -10.7437 -10.7437 -10.7243 -10.7243 -5.5858 -5.5858 -5.5852 -5.5852 1.3151 1.3151 1.3336 1.3336 2.1430 2.1430 2.2244 2.2244 2.8296 2.8296 2.8996 2.8996 5.3164 5.3164 5.3179 5.3179 6.5886 6.5886 6.5944 6.5944 k = 0.2917-0.0000 0.3319 ( 22308 PWs) bands (ev): -42.1934 -42.1934 -42.1933 -42.1933 -42.1693 -42.1693 -42.1691 -42.1691 -27.3278 -27.3278 -27.3278 -27.3278 -11.0384 -11.0384 -11.0327 -11.0327 -10.8002 -10.8002 -10.7760 -10.7760 -10.7427 -10.7427 -10.7245 -10.7245 -5.5788 -5.5788 -5.5783 -5.5783 1.2751 1.2751 1.2913 1.2913 2.1510 2.1510 2.2287 2.2287 2.8220 2.8220 2.8903 2.8903 5.3333 5.3333 5.3352 5.3352 6.5508 6.5508 6.5573 6.5573 k = 0.3056-0.0000 0.3319 ( 22292 PWs) bands (ev): -42.1931 -42.1931 -42.1930 -42.1930 -42.1695 -42.1695 -42.1694 -42.1694 -27.3277 -27.3277 -27.3277 -27.3277 -11.0395 -11.0395 -11.0340 -11.0340 -10.8008 -10.8008 -10.7780 -10.7780 -10.7418 -10.7418 -10.7247 -10.7247 -5.5720 -5.5720 -5.5714 -5.5714 1.2352 1.2352 1.2493 1.2493 2.1618 2.1618 2.2360 2.2360 2.8130 2.8130 2.8796 2.8796 5.3511 5.3511 5.3535 5.3535 6.5135 6.5135 6.5207 6.5207 k = 0.3194-0.0000 0.3319 ( 22302 PWs) bands (ev): -42.1929 -42.1929 -42.1927 -42.1927 -42.1698 -42.1698 -42.1697 -42.1697 -27.3276 -27.3276 -27.3276 -27.3276 -11.0405 -11.0405 -11.0353 -11.0353 -10.8014 -10.8014 -10.7799 -10.7799 -10.7409 -10.7409 -10.7249 -10.7249 -5.5653 -5.5653 -5.5648 -5.5648 1.1962 1.1962 1.2084 1.2084 2.1749 2.1749 2.2458 2.2458 2.8026 2.8026 2.8675 2.8675 5.3699 5.3699 5.3727 5.3727 6.4767 6.4767 6.4845 6.4845 k = 0.3333-0.0000 0.3319 ( 22302 PWs) bands (ev): -42.1926 -42.1926 -42.1925 -42.1925 -42.1701 -42.1701 -42.1700 -42.1700 -27.3275 -27.3275 -27.3275 -27.3275 -11.0415 -11.0415 -11.0365 -11.0365 -10.8018 -10.8018 -10.7818 -10.7818 -10.7400 -10.7400 -10.7252 -10.7252 -5.5588 -5.5588 -5.5583 -5.5583 1.1584 1.1584 1.1689 1.1689 2.1900 2.1900 2.2578 2.2578 2.7909 2.7909 2.8541 2.8541 5.3896 5.3896 5.3928 5.3928 6.4405 6.4405 6.4488 6.4488 k = 0.3472-0.0000 0.3319 ( 22316 PWs) bands (ev): -42.1923 -42.1923 -42.1922 -42.1922 -42.1703 -42.1703 -42.1702 -42.1702 -27.3274 -27.3274 -27.3274 -27.3274 -11.0425 -11.0425 -11.0378 -11.0378 -10.8021 -10.8021 -10.7836 -10.7836 -10.7391 -10.7391 -10.7255 -10.7255 -5.5527 -5.5527 -5.5522 -5.5522 1.1223 1.1223 1.1313 1.1313 2.2066 2.2066 2.2716 2.2716 2.7781 2.7781 2.8395 2.8395 5.4100 5.4100 5.4136 5.4136 6.4049 6.4049 6.4136 6.4136 k = 0.3611-0.0000 0.3319 ( 22308 PWs) bands (ev): -42.1921 -42.1921 -42.1920 -42.1920 -42.1706 -42.1706 -42.1705 -42.1705 -27.3273 -27.3273 -27.3273 -27.3273 -11.0434 -11.0434 -11.0390 -11.0390 -10.8023 -10.8023 -10.7853 -10.7853 -10.7382 -10.7382 -10.7258 -10.7258 -5.5469 -5.5469 -5.5464 -5.5464 1.0883 1.0883 1.0960 1.0960 2.2246 2.2246 2.2866 2.2866 2.7643 2.7643 2.8238 2.8238 5.4311 5.4311 5.4351 5.4351 6.3700 6.3700 6.3790 6.3790 k = 0.3750-0.0000 0.3319 ( 22308 PWs) bands (ev): -42.1918 -42.1918 -42.1917 -42.1917 -42.1708 -42.1708 -42.1707 -42.1707 -27.3272 -27.3272 -27.3272 -27.3272 -11.0442 -11.0442 -11.0402 -11.0402 -10.8024 -10.8024 -10.7870 -10.7870 -10.7373 -10.7373 -10.7261 -10.7261 -5.5414 -5.5414 -5.5410 -5.5410 1.0567 1.0567 1.0633 1.0633 2.2434 2.2434 2.3027 2.3027 2.7497 2.7497 2.8072 2.8072 5.4525 5.4525 5.4569 5.4569 6.3360 6.3360 6.3452 6.3452 k = 0.3889-0.0000 0.3319 ( 22316 PWs) bands (ev): -42.1916 -42.1916 -42.1915 -42.1915 -42.1710 -42.1710 -42.1710 -42.1710 -27.3271 -27.3271 -27.3271 -27.3271 -11.0449 -11.0449 -11.0413 -11.0413 -10.8024 -10.8024 -10.7886 -10.7886 -10.7365 -10.7365 -10.7265 -10.7265 -5.5364 -5.5364 -5.5361 -5.5361 1.0278 1.0278 1.0333 1.0333 2.2630 2.2630 2.3193 2.3193 2.7347 2.7347 2.7897 2.7897 5.4742 5.4742 5.4787 5.4787 6.3033 6.3033 6.3124 6.3124 k = 0.4028-0.0000 0.3319 ( 22330 PWs) bands (ev): -42.1914 -42.1914 -42.1913 -42.1913 -42.1713 -42.1713 -42.1712 -42.1712 -27.3270 -27.3270 -27.3270 -27.3270 -11.0456 -11.0456 -11.0423 -11.0423 -10.8023 -10.8023 -10.7901 -10.7901 -10.7357 -10.7357 -10.7269 -10.7269 -5.5319 -5.5319 -5.5316 -5.5316 1.0019 1.0019 1.0065 1.0065 2.2829 2.2829 2.3359 2.3359 2.7195 2.7195 2.7717 2.7717 5.4957 5.4957 5.5003 5.5003 6.2721 6.2721 6.2810 6.2810 k = 0.4167-0.0000 0.3319 ( 22352 PWs) bands (ev): -42.1912 -42.1912 -42.1911 -42.1911 -42.1714 -42.1714 -42.1714 -42.1714 -27.3270 -27.3270 -27.3270 -27.3270 -11.0461 -11.0461 -11.0433 -11.0433 -10.8020 -10.8020 -10.7916 -10.7916 -10.7349 -10.7349 -10.7274 -10.7274 -5.5279 -5.5279 -5.5276 -5.5276 0.9790 0.9790 0.9828 0.9828 2.3029 2.3029 2.3522 2.3522 2.7047 2.7047 2.7534 2.7534 5.5166 5.5166 5.5212 5.5212 6.2430 6.2430 6.2513 6.2513 k = 0.4306-0.0000 0.3319 ( 22358 PWs) bands (ev): -42.1910 -42.1910 -42.1909 -42.1909 -42.1716 -42.1716 -42.1715 -42.1715 -27.3269 -27.3269 -27.3269 -27.3269 -11.0466 -11.0466 -11.0442 -11.0442 -10.8017 -10.8017 -10.7929 -10.7929 -10.7341 -10.7341 -10.7279 -10.7279 -5.5244 -5.5244 -5.5242 -5.5242 0.9595 0.9595 0.9625 0.9625 2.3226 2.3226 2.3672 2.3672 2.6908 2.6908 2.7353 2.7353 5.5363 5.5363 5.5407 5.5407 6.2165 6.2165 6.2241 6.2241 k = 0.4444-0.0000 0.3319 ( 22346 PWs) bands (ev): -42.1908 -42.1908 -42.1908 -42.1908 -42.1717 -42.1717 -42.1717 -42.1717 -27.3269 -27.3269 -27.3269 -27.3269 -11.0469 -11.0469 -11.0449 -11.0449 -10.8012 -10.8012 -10.7942 -10.7942 -10.7334 -10.7334 -10.7284 -10.7284 -5.5216 -5.5216 -5.5214 -5.5214 0.9434 0.9434 0.9457 0.9457 2.3414 2.3414 2.3803 2.3803 2.6788 2.6788 2.7176 2.7176 5.5542 5.5542 5.5581 5.5581 6.1933 6.1933 6.2000 6.2000 k = 0.4583-0.0000 0.3319 ( 22358 PWs) bands (ev): -42.1907 -42.1907 -42.1907 -42.1907 -42.1718 -42.1718 -42.1718 -42.1718 -27.3268 -27.3268 -27.3268 -27.3268 -11.0471 -11.0471 -11.0456 -11.0456 -10.8007 -10.8007 -10.7954 -10.7954 -10.7327 -10.7327 -10.7289 -10.7289 -5.5193 -5.5193 -5.5191 -5.5191 0.9308 0.9308 0.9325 0.9325 2.3588 2.3588 2.3905 2.3905 2.6695 2.6695 2.7011 2.7011 5.5695 5.5695 5.5728 5.5728 6.1743 6.1743 6.1796 6.1796 k = 0.4722-0.0000 0.3319 ( 22366 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0471 -11.0471 -11.0462 -11.0462 -10.8001 -10.8001 -10.7965 -10.7965 -10.7320 -10.7320 -10.7295 -10.7295 -5.5176 -5.5176 -5.5175 -5.5175 0.9218 0.9218 0.9229 0.9229 2.3740 2.3740 2.3967 2.3967 2.6639 2.6639 2.6865 2.6865 5.5815 5.5815 5.5838 5.5838 6.1602 6.1602 6.1640 6.1640 k = 0.4861-0.0000 0.3319 ( 22370 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0471 -11.0471 -11.0466 -11.0466 -10.7993 -10.7993 -10.7975 -10.7975 -10.7313 -10.7313 -10.7300 -10.7300 -5.5166 -5.5166 -5.5166 -5.5166 0.9165 0.9165 0.9171 0.9171 2.3863 2.3863 2.3981 2.3981 2.6628 2.6628 2.6747 2.6747 5.5893 5.5893 5.5905 5.5905 6.1519 6.1519 6.1538 6.1538 k = 0.5000-0.0000 0.3319 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5163 -5.5163 -5.5163 -5.5163 0.9149 0.9149 0.9149 0.9149 2.3946 2.3946 2.3946 2.3946 2.6665 2.6665 2.6665 2.6665 5.5924 5.5924 5.5924 5.5924 6.1497 6.1497 6.1497 6.1497 k = 0.5000-0.0000 0.3319 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5163 -5.5163 -5.5163 -5.5163 0.9149 0.9149 0.9149 0.9149 2.3946 2.3946 2.3946 2.3946 2.6665 2.6665 2.6665 2.6665 5.5924 5.5924 5.5924 5.5924 6.1497 6.1497 6.1497 6.1497 k = 0.5000 0.0137 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5163 -5.5163 -5.5163 -5.5163 0.9158 0.9158 0.9158 0.9158 2.3938 2.3938 2.3938 2.3938 2.6660 2.6660 2.6660 2.6660 5.5952 5.5952 5.5952 5.5952 6.1479 6.1479 6.1479 6.1479 k = 0.5000 0.0273 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5165 -5.5165 -5.5165 -5.5165 0.9183 0.9183 0.9183 0.9183 2.3917 2.3917 2.3917 2.3917 2.6643 2.6643 2.6643 2.6643 5.6035 5.6035 5.6035 5.6035 6.1428 6.1428 6.1428 6.1428 k = 0.5000 0.0410 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5167 -5.5167 -5.5167 -5.5167 0.9224 0.9224 0.9224 0.9224 2.3881 2.3881 2.3881 2.3881 2.6615 2.6615 2.6615 2.6615 5.6173 5.6173 5.6173 5.6173 6.1345 6.1345 6.1345 6.1345 k = 0.5000 0.0547 0.3319 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0468 -11.0468 -11.0468 -11.0468 -10.7984 -10.7984 -10.7984 -10.7984 -10.7307 -10.7307 -10.7307 -10.7307 -5.5170 -5.5170 -5.5170 -5.5170 0.9282 0.9282 0.9282 0.9282 2.3831 2.3831 2.3831 2.3831 2.6577 2.6577 2.6577 2.6577 5.6364 5.6364 5.6364 5.6364 6.1233 6.1233 6.1233 6.1233 k = 0.5000 0.0684 0.3319 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0468 -11.0468 -11.0468 -11.0468 -10.7984 -10.7984 -10.7984 -10.7984 -10.7308 -10.7308 -10.7308 -10.7308 -5.5174 -5.5174 -5.5174 -5.5174 0.9356 0.9356 0.9356 0.9356 2.3767 2.3767 2.3767 2.3767 2.6529 2.6529 2.6529 2.6529 5.6608 5.6608 5.6608 5.6608 6.1096 6.1096 6.1096 6.1096 k = 0.5000 0.0820 0.3319 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0468 -11.0468 -11.0468 -11.0468 -10.7984 -10.7984 -10.7984 -10.7984 -10.7308 -10.7308 -10.7308 -10.7308 -5.5179 -5.5179 -5.5179 -5.5179 0.9445 0.9445 0.9445 0.9445 2.3689 2.3689 2.3689 2.3689 2.6473 2.6473 2.6473 2.6473 5.6902 5.6902 5.6902 5.6902 6.0941 6.0941 6.0941 6.0941 k = 0.5000 0.0957 0.3319 ( 22328 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0467 -11.0467 -11.0467 -11.0467 -10.7984 -10.7984 -10.7984 -10.7984 -10.7309 -10.7309 -10.7309 -10.7309 -5.5184 -5.5184 -5.5184 -5.5184 0.9549 0.9549 0.9549 0.9549 2.3598 2.3598 2.3598 2.3598 2.6408 2.6408 2.6408 2.6408 5.7244 5.7244 5.7244 5.7244 6.0770 6.0770 6.0770 6.0770 k = 0.5000 0.1094 0.3319 ( 22336 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0467 -11.0467 -11.0467 -11.0467 -10.7983 -10.7983 -10.7983 -10.7983 -10.7310 -10.7310 -10.7310 -10.7310 -5.5190 -5.5190 -5.5190 -5.5190 0.9666 0.9666 0.9666 0.9666 2.3495 2.3495 2.3495 2.3495 2.6338 2.6338 2.6338 2.6338 5.7633 5.7633 5.7633 5.7633 6.0591 6.0591 6.0591 6.0591 k = 0.5000 0.1231 0.3319 ( 22328 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0466 -11.0466 -11.0466 -11.0466 -10.7983 -10.7983 -10.7983 -10.7983 -10.7310 -10.7310 -10.7310 -10.7310 -5.5197 -5.5197 -5.5197 -5.5197 0.9797 0.9797 0.9797 0.9797 2.3378 2.3378 2.3378 2.3378 2.6262 2.6262 2.6262 2.6262 5.8064 5.8064 5.8064 5.8064 6.0408 6.0408 6.0408 6.0408 k = 0.5000 0.1367 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0466 -11.0466 -11.0466 -11.0466 -10.7983 -10.7983 -10.7983 -10.7983 -10.7311 -10.7311 -10.7311 -10.7311 -5.5203 -5.5203 -5.5203 -5.5203 0.9939 0.9939 0.9939 0.9939 2.3251 2.3251 2.3251 2.3251 2.6182 2.6182 2.6182 2.6182 5.8534 5.8534 5.8534 5.8534 6.0226 6.0226 6.0226 6.0226 k = 0.5000 0.1504 0.3319 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0465 -11.0465 -11.0465 -11.0465 -10.7982 -10.7982 -10.7982 -10.7982 -10.7312 -10.7312 -10.7312 -10.7312 -5.5211 -5.5211 -5.5211 -5.5211 1.0091 1.0091 1.0091 1.0091 2.3113 2.3113 2.3113 2.3113 2.6100 2.6100 2.6100 2.6100 5.9038 5.9038 5.9038 5.9038 6.0051 6.0051 6.0051 6.0051 k = 0.5000 0.1641 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0464 -11.0464 -11.0464 -11.0464 -10.7982 -10.7982 -10.7982 -10.7982 -10.7313 -10.7313 -10.7313 -10.7313 -5.5218 -5.5218 -5.5218 -5.5218 1.0253 1.0253 1.0253 1.0253 2.2965 2.2965 2.2965 2.2965 2.6016 2.6016 2.6016 2.6016 5.9555 5.9555 5.9555 5.9555 5.9904 5.9904 5.9904 5.9904 k = 0.5000 0.1778 0.3319 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0464 -11.0464 -11.0464 -11.0464 -10.7982 -10.7982 -10.7982 -10.7982 -10.7314 -10.7314 -10.7314 -10.7314 -5.5226 -5.5226 -5.5226 -5.5226 1.0421 1.0421 1.0421 1.0421 2.2810 2.2810 2.2810 2.2810 2.5932 2.5932 2.5932 2.5932 5.9686 5.9686 5.9686 5.9686 6.0180 6.0180 6.0181 6.0181 k = 0.5000 0.1914 0.3319 ( 22388 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0463 -11.0463 -11.0463 -11.0463 -10.7981 -10.7981 -10.7981 -10.7981 -10.7315 -10.7315 -10.7315 -10.7315 -5.5233 -5.5233 -5.5233 -5.5233 1.0595 1.0595 1.0595 1.0595 2.2648 2.2648 2.2649 2.2649 2.5849 2.5849 2.5849 2.5849 5.9553 5.9553 5.9553 5.9553 6.0757 6.0757 6.0757 6.0757 k = 0.5000 0.2051 0.3319 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0462 -11.0462 -11.0462 -11.0462 -10.7981 -10.7981 -10.7981 -10.7981 -10.7316 -10.7316 -10.7316 -10.7316 -5.5241 -5.5241 -5.5241 -5.5241 1.0772 1.0772 1.0772 1.0772 2.2483 2.2483 2.2483 2.2483 2.5769 2.5769 2.5769 2.5769 5.9423 5.9423 5.9423 5.9423 6.1361 6.1361 6.1361 6.1361 k = 0.5000 0.2188 0.3319 ( 22372 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0462 -11.0462 -11.0462 -11.0462 -10.7981 -10.7981 -10.7981 -10.7981 -10.7316 -10.7316 -10.7316 -10.7316 -5.5248 -5.5248 -5.5248 -5.5248 1.0949 1.0949 1.0949 1.0949 2.2315 2.2315 2.2315 2.2315 2.5692 2.5692 2.5692 2.5692 5.9308 5.9308 5.9308 5.9308 6.1976 6.1976 6.1976 6.1976 k = 0.5000 0.2324 0.3319 ( 22368 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0461 -11.0461 -11.0461 -11.0461 -10.7980 -10.7980 -10.7980 -10.7980 -10.7317 -10.7317 -10.7317 -10.7317 -5.5255 -5.5255 -5.5255 -5.5255 1.1125 1.1125 1.1125 1.1125 2.2148 2.2148 2.2148 2.2148 2.5619 2.5619 2.5619 2.5619 5.9207 5.9207 5.9207 5.9207 6.2594 6.2594 6.2594 6.2594 k = 0.5000 0.2461 0.3319 ( 22360 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0461 -11.0461 -11.0461 -11.0461 -10.7980 -10.7980 -10.7980 -10.7980 -10.7318 -10.7318 -10.7318 -10.7318 -5.5261 -5.5261 -5.5261 -5.5261 1.1295 1.1295 1.1295 1.1295 2.1985 2.1985 2.1985 2.1985 2.5552 2.5552 2.5552 2.5552 5.9122 5.9122 5.9122 5.9122 6.3204 6.3204 6.3204 6.3204 k = 0.5000 0.2598 0.3319 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0460 -11.0460 -11.0460 -11.0460 -10.7980 -10.7980 -10.7980 -10.7980 -10.7319 -10.7319 -10.7319 -10.7319 -5.5267 -5.5267 -5.5267 -5.5267 1.1457 1.1457 1.1457 1.1457 2.1829 2.1829 2.1829 2.1829 2.5491 2.5491 2.5491 2.5491 5.9051 5.9051 5.9051 5.9051 6.3796 6.3796 6.3796 6.3796 k = 0.5000 0.2735 0.3319 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0460 -11.0460 -11.0460 -11.0460 -10.7979 -10.7979 -10.7979 -10.7979 -10.7319 -10.7319 -10.7319 -10.7319 -5.5273 -5.5273 -5.5273 -5.5273 1.1608 1.1608 1.1608 1.1608 2.1684 2.1684 2.1684 2.1684 2.5436 2.5436 2.5436 2.5436 5.8994 5.8994 5.8994 5.8994 6.4356 6.4356 6.4356 6.4356 k = 0.5000 0.2871 0.3319 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0459 -11.0459 -10.7979 -10.7979 -10.7979 -10.7979 -10.7320 -10.7320 -10.7320 -10.7320 -5.5277 -5.5277 -5.5277 -5.5277 1.1743 1.1743 1.1743 1.1743 2.1552 2.1552 2.1552 2.1552 2.5389 2.5389 2.5389 2.5389 5.8949 5.8949 5.8949 5.8949 6.4871 6.4871 6.4871 6.4871 k = 0.5000 0.3008 0.3319 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0459 -11.0459 -10.7979 -10.7979 -10.7979 -10.7979 -10.7320 -10.7320 -10.7320 -10.7320 -5.5281 -5.5281 -5.5281 -5.5281 1.1860 1.1860 1.1860 1.1860 2.1439 2.1439 2.1439 2.1439 2.5350 2.5350 2.5350 2.5350 5.8915 5.8915 5.8915 5.8915 6.5325 6.5325 6.5325 6.5325 k = 0.5000 0.3145 0.3319 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0459 -11.0459 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5284 -5.5284 -5.5284 -5.5284 1.1955 1.1955 1.1955 1.1955 2.1346 2.1346 2.1346 2.1346 2.5319 2.5319 2.5319 2.5319 5.8891 5.8891 5.8891 5.8891 6.5701 6.5701 6.5701 6.5701 k = 0.5000 0.3282 0.3319 ( 22328 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0459 -11.0459 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5287 -5.5287 -5.5287 -5.5287 1.2025 1.2025 1.2025 1.2025 2.1277 2.1277 2.1277 2.1277 2.5297 2.5297 2.5297 2.5297 5.8874 5.8874 5.8874 5.8874 6.5983 6.5983 6.5983 6.5983 k = 0.5000 0.3418 0.3319 ( 22332 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0459 -11.0459 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5288 -5.5288 -5.5288 -5.5288 1.2068 1.2068 1.2068 1.2068 2.1235 2.1235 2.1235 2.1235 2.5283 2.5283 2.5283 2.5283 5.8865 5.8865 5.8865 5.8865 6.6159 6.6159 6.6159 6.6159 k = 0.5000 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0458 -11.0458 -11.0458 -11.0458 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5288 -5.5288 -5.5288 -5.5288 1.2082 1.2082 1.2082 1.2082 2.1221 2.1221 2.1221 2.1221 2.5279 2.5279 2.5279 2.5279 5.8862 5.8862 5.8862 5.8862 6.6218 6.6218 6.6218 6.6218 k = 0.5000 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0458 -11.0458 -11.0458 -11.0458 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5288 -5.5288 -5.5288 -5.5288 1.2082 1.2082 1.2082 1.2082 2.1221 2.1221 2.1221 2.1221 2.5279 2.5279 2.5279 2.5279 5.8862 5.8862 5.8862 5.8862 6.6218 6.6218 6.6218 6.6218 k = 0.4861 0.3555 0.3319 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0461 -11.0461 -11.0455 -11.0455 -10.7988 -10.7988 -10.7968 -10.7968 -10.7328 -10.7328 -10.7314 -10.7314 -5.5291 -5.5291 -5.5290 -5.5290 1.2093 1.2093 1.2105 1.2105 2.1114 2.1114 2.1225 2.1225 2.5273 2.5273 2.5382 2.5382 5.8868 5.8868 5.8873 5.8873 6.6200 6.6200 6.6224 6.6224 k = 0.4722 0.3555 0.3319 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0461 -11.0461 -11.0451 -11.0451 -10.7996 -10.7996 -10.7958 -10.7958 -10.7336 -10.7336 -10.7308 -10.7308 -5.5297 -5.5297 -5.5296 -5.5296 1.2135 1.2135 1.2161 1.2161 2.0918 2.0918 2.1127 2.1127 2.5365 2.5365 2.5568 2.5568 5.8892 5.8892 5.8901 5.8901 6.6170 6.6170 6.6217 6.6217 k = 0.4583 0.3555 0.3319 ( 22340 PWs) bands (ev): -42.1907 -42.1907 -42.1907 -42.1907 -42.1718 -42.1718 -42.1718 -42.1718 -27.3268 -27.3268 -27.3268 -27.3268 -11.0461 -11.0461 -11.0446 -11.0446 -10.8004 -10.8004 -10.7946 -10.7946 -10.7343 -10.7343 -10.7302 -10.7302 -5.5308 -5.5308 -5.5306 -5.5306 1.2210 1.2210 1.2249 1.2249 2.0654 2.0654 2.0941 2.0941 2.5539 2.5539 2.5817 2.5817 5.8933 5.8933 5.8948 5.8948 6.6127 6.6127 6.6195 6.6195 k = 0.4444 0.3555 0.3319 ( 22344 PWs) bands (ev): -42.1908 -42.1908 -42.1908 -42.1908 -42.1717 -42.1717 -42.1717 -42.1717 -27.3269 -27.3269 -27.3269 -27.3269 -11.0460 -11.0460 -11.0439 -11.0439 -10.8010 -10.8010 -10.7933 -10.7933 -10.7351 -10.7351 -10.7296 -10.7296 -5.5323 -5.5323 -5.5320 -5.5320 1.2315 1.2315 1.2369 1.2369 2.0343 2.0343 2.0691 2.0691 2.5774 2.5774 2.6108 2.6108 5.8993 5.8993 5.9012 5.9012 6.6069 6.6069 6.6158 6.6158 k = 0.4306 0.3555 0.3319 ( 22336 PWs) bands (ev): -42.1910 -42.1910 -42.1909 -42.1909 -42.1716 -42.1716 -42.1715 -42.1715 -27.3269 -27.3269 -27.3269 -27.3269 -11.0457 -11.0457 -11.0432 -11.0432 -10.8016 -10.8016 -10.7920 -10.7920 -10.7359 -10.7359 -10.7290 -10.7290 -5.5341 -5.5341 -5.5338 -5.5338 1.2448 1.2448 1.2520 1.2520 2.0002 2.0002 2.0399 2.0399 2.6050 2.6050 2.6425 2.6425 5.9071 5.9071 5.9095 5.9095 6.5997 6.5997 6.6103 6.6103 k = 0.4167 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1912 -42.1912 -42.1911 -42.1911 -42.1714 -42.1714 -42.1714 -42.1714 -27.3270 -27.3270 -27.3270 -27.3270 -11.0454 -11.0454 -11.0424 -11.0424 -10.8020 -10.8020 -10.7906 -10.7906 -10.7368 -10.7368 -10.7285 -10.7285 -5.5363 -5.5363 -5.5360 -5.5360 1.2608 1.2608 1.2700 1.2700 1.9643 1.9643 2.0082 2.0082 2.6351 2.6351 2.6756 2.6756 5.9169 5.9169 5.9198 5.9198 6.5908 6.5908 6.6030 6.6030 k = 0.4028 0.3555 0.3319 ( 22360 PWs) bands (ev): -42.1914 -42.1914 -42.1913 -42.1913 -42.1713 -42.1713 -42.1712 -42.1712 -27.3270 -27.3270 -27.3270 -27.3270 -11.0449 -11.0449 -11.0414 -11.0414 -10.8024 -10.8024 -10.7891 -10.7891 -10.7377 -10.7377 -10.7280 -10.7280 -5.5389 -5.5389 -5.5385 -5.5385 1.2789 1.2789 1.2906 1.2906 1.9278 1.9278 1.9756 1.9756 2.6663 2.6663 2.7092 2.7092 5.9286 5.9286 5.9320 5.9320 6.5801 6.5801 6.5936 6.5936 k = 0.3889 0.3555 0.3319 ( 22348 PWs) bands (ev): -42.1916 -42.1916 -42.1915 -42.1915 -42.1711 -42.1711 -42.1710 -42.1710 -27.3271 -27.3271 -27.3271 -27.3271 -11.0444 -11.0444 -11.0405 -11.0405 -10.8026 -10.8026 -10.7876 -10.7876 -10.7385 -10.7385 -10.7276 -10.7276 -5.5418 -5.5418 -5.5414 -5.5414 1.2988 1.2988 1.3133 1.3133 1.8917 1.8917 1.9434 1.9434 2.6980 2.6980 2.7428 2.7428 5.9423 5.9423 5.9462 5.9462 6.5678 6.5678 6.5823 6.5823 k = 0.3750 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1918 -42.1918 -42.1917 -42.1917 -42.1708 -42.1708 -42.1707 -42.1707 -27.3272 -27.3272 -27.3272 -27.3272 -11.0437 -11.0437 -11.0394 -11.0394 -10.8028 -10.8028 -10.7860 -10.7860 -10.7395 -10.7395 -10.7271 -10.7271 -5.5450 -5.5450 -5.5446 -5.5446 1.3197 1.3197 1.3376 1.3376 1.8569 1.8569 1.9127 1.9127 2.7295 2.7295 2.7757 2.7757 5.9581 5.9581 5.9625 5.9625 6.5539 6.5539 6.5690 6.5690 k = 0.3611 0.3555 0.3319 ( 22348 PWs) bands (ev): -42.1921 -42.1921 -42.1920 -42.1920 -42.1706 -42.1706 -42.1705 -42.1705 -27.3273 -27.3273 -27.3273 -27.3273 -11.0430 -11.0430 -11.0383 -11.0383 -10.8028 -10.8028 -10.7843 -10.7843 -10.7404 -10.7404 -10.7267 -10.7267 -5.5485 -5.5485 -5.5480 -5.5480 1.3406 1.3406 1.3625 1.3625 1.8246 1.8246 1.8851 1.8851 2.7602 2.7602 2.8078 2.8078 5.9758 5.9758 5.9807 5.9807 6.5386 6.5386 6.5541 6.5541 k = 0.3472 0.3555 0.3319 ( 22360 PWs) bands (ev): -42.1923 -42.1923 -42.1922 -42.1922 -42.1703 -42.1703 -42.1702 -42.1702 -27.3274 -27.3274 -27.3274 -27.3274 -11.0423 -11.0423 -11.0372 -11.0372 -10.8028 -10.8028 -10.7825 -10.7825 -10.7413 -10.7413 -10.7264 -10.7264 -5.5523 -5.5523 -5.5517 -5.5517 1.3603 1.3603 1.3867 1.3867 1.7965 1.7965 1.8619 1.8619 2.7900 2.7900 2.8386 2.8386 5.9955 5.9955 6.0009 6.0009 6.5222 6.5222 6.5377 6.5378 k = 0.3333 0.3555 0.3319 ( 22356 PWs) bands (ev): -42.1926 -42.1926 -42.1925 -42.1925 -42.1701 -42.1701 -42.1700 -42.1700 -27.3275 -27.3275 -27.3275 -27.3275 -11.0414 -11.0414 -11.0361 -11.0361 -10.8026 -10.8026 -10.7807 -10.7807 -10.7423 -10.7423 -10.7260 -10.7260 -5.5562 -5.5562 -5.5557 -5.5557 1.3772 1.3772 1.4081 1.4081 1.7745 1.7745 1.8449 1.8449 2.8184 2.8184 2.8680 2.8680 6.0168 6.0168 6.0229 6.0229 6.5052 6.5052 6.5205 6.5205 k = 0.3194 0.3555 0.3319 ( 22356 PWs) bands (ev): -42.1929 -42.1929 -42.1927 -42.1927 -42.1698 -42.1698 -42.1697 -42.1697 -27.3276 -27.3276 -27.3276 -27.3276 -11.0405 -11.0405 -11.0349 -11.0349 -10.8023 -10.8023 -10.7789 -10.7789 -10.7433 -10.7433 -10.7257 -10.7257 -5.5604 -5.5604 -5.5598 -5.5598 1.3893 1.3893 1.4239 1.4239 1.7617 1.7617 1.8361 1.8361 2.8454 2.8454 2.8959 2.8959 6.0395 6.0395 6.0463 6.0463 6.4880 6.4880 6.5028 6.5028 k = 0.3056 0.3555 0.3319 ( 22344 PWs) bands (ev): -42.1931 -42.1931 -42.1930 -42.1930 -42.1695 -42.1695 -42.1694 -42.1694 -27.3277 -27.3277 -27.3277 -27.3277 -11.0396 -11.0396 -11.0338 -11.0338 -10.8019 -10.8019 -10.7770 -10.7770 -10.7443 -10.7443 -10.7255 -10.7255 -5.5647 -5.5647 -5.5641 -5.5641 1.3952 1.3952 1.4314 1.4314 1.7608 1.7608 1.8372 1.8372 2.8707 2.8707 2.9221 2.9221 6.0632 6.0632 6.0707 6.0707 6.4714 6.4714 6.4854 6.4854 k = 0.2917 0.3555 0.3319 ( 22356 PWs) bands (ev): -42.1934 -42.1934 -42.1933 -42.1933 -42.1693 -42.1693 -42.1691 -42.1691 -27.3278 -27.3278 -27.3278 -27.3278 -11.0386 -11.0386 -11.0326 -11.0326 -10.8014 -10.8014 -10.7750 -10.7750 -10.7453 -10.7453 -10.7253 -10.7253 -5.5691 -5.5691 -5.5685 -5.5685 1.3940 1.3940 1.4290 1.4290 1.7732 1.7732 1.8489 1.8489 2.8943 2.8943 2.9464 2.9464 6.0870 6.0870 6.0954 6.0954 6.4563 6.4563 6.4694 6.4694 k = 0.2778 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1937 -42.1937 -42.1936 -42.1936 -42.1690 -42.1690 -42.1689 -42.1689 -27.3280 -27.3280 -27.3280 -27.3280 -11.0377 -11.0377 -11.0315 -11.0315 -10.8007 -10.8007 -10.7731 -10.7731 -10.7463 -10.7463 -10.7251 -10.7251 -5.5736 -5.5736 -5.5730 -5.5730 1.3859 1.3859 1.4177 1.4177 1.7980 1.7980 1.8709 1.8709 2.9161 2.9161 2.9689 2.9689 6.1099 6.1099 6.1194 6.1194 6.4441 6.4441 6.4557 6.4557 k = 0.2639 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1940 -42.1940 -42.1939 -42.1939 -42.1687 -42.1687 -42.1686 -42.1686 -27.3281 -27.3281 -27.3281 -27.3281 -11.0367 -11.0367 -11.0304 -11.0304 -10.8000 -10.8000 -10.7711 -10.7711 -10.7473 -10.7473 -10.7249 -10.7249 -5.5781 -5.5781 -5.5775 -5.5775 1.3721 1.3721 1.3996 1.3996 1.8329 1.8329 1.9020 1.9020 2.9360 2.9360 2.9895 2.9895 6.1304 6.1304 6.1412 6.1412 6.4362 6.4362 6.4463 6.4463 k = 0.2500 0.3555 0.3319 ( 22364 PWs) bands (ev): -42.1943 -42.1943 -42.1941 -42.1941 -42.1685 -42.1685 -42.1683 -42.1683 -27.3282 -27.3282 -27.3282 -27.3282 -11.0357 -11.0357 -11.0294 -11.0294 -10.7992 -10.7992 -10.7691 -10.7691 -10.7483 -10.7483 -10.7248 -10.7248 -5.5827 -5.5827 -5.5821 -5.5821 1.3541 1.3541 1.3773 1.3773 1.8753 1.8753 1.9405 1.9405 2.9540 2.9540 3.0082 3.0082 6.1465 6.1465 6.1588 6.1588 6.4348 6.4348 6.4429 6.4429 k = 0.2361 0.3555 0.3319 ( 22360 PWs) bands (ev): -42.1946 -42.1946 -42.1944 -42.1944 -42.1682 -42.1682 -42.1680 -42.1680 -27.3283 -27.3283 -27.3283 -27.3283 -11.0346 -11.0346 -11.0284 -11.0284 -10.7982 -10.7982 -10.7672 -10.7672 -10.7493 -10.7493 -10.7248 -10.7248 -5.5873 -5.5873 -5.5866 -5.5866 1.3334 1.3334 1.3527 1.3527 1.9230 1.9230 1.9849 1.9849 2.9701 2.9701 3.0249 3.0249 6.1565 6.1565 6.1702 6.1702 6.4414 6.4414 6.4477 6.4477 k = 0.2222 0.3555 0.3319 ( 22364 PWs) bands (ev): -42.1948 -42.1948 -42.1947 -42.1947 -42.1679 -42.1679 -42.1678 -42.1678 -27.3284 -27.3284 -27.3284 -27.3284 -11.0337 -11.0337 -11.0274 -11.0274 -10.7972 -10.7972 -10.7653 -10.7653 -10.7502 -10.7502 -10.7247 -10.7247 -5.5917 -5.5917 -5.5911 -5.5911 1.3111 1.3111 1.3271 1.3271 1.9746 1.9746 2.0338 2.0338 2.9844 2.9844 3.0397 3.0397 6.1597 6.1597 6.1744 6.1744 6.4568 6.4568 6.4616 6.4616 k = 0.2083 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1951 -42.1951 -42.1949 -42.1949 -42.1677 -42.1677 -42.1675 -42.1675 -27.3286 -27.3286 -27.3286 -27.3286 -11.0327 -11.0327 -11.0266 -11.0266 -10.7961 -10.7961 -10.7636 -10.7636 -10.7509 -10.7509 -10.7248 -10.7248 -5.5961 -5.5961 -5.5955 -5.5955 1.2881 1.2881 1.3013 1.3013 2.0290 2.0290 2.0861 2.0861 2.9967 2.9967 3.0525 3.0525 6.1566 6.1566 6.1717 6.1717 6.4803 6.4803 6.4840 6.4840 k = 0.1944 0.3555 0.3319 ( 22328 PWs) bands (ev): -42.1953 -42.1953 -42.1952 -42.1952 -42.1674 -42.1674 -42.1673 -42.1673 -27.3287 -27.3287 -27.3287 -27.3287 -11.0317 -11.0317 -11.0258 -11.0258 -10.7949 -10.7949 -10.7621 -10.7621 -10.7515 -10.7515 -10.7249 -10.7249 -5.6004 -5.6004 -5.5998 -5.5998 1.2650 1.2650 1.2760 1.2760 2.0854 2.0854 2.1408 2.1408 3.0071 3.0071 3.0634 3.0634 6.1486 6.1486 6.1638 6.1638 6.5103 6.5103 6.5134 6.5134 k = 0.1806 0.3555 0.3319 ( 22324 PWs) bands (ev): -42.1955 -42.1955 -42.1954 -42.1954 -42.1672 -42.1672 -42.1671 -42.1671 -27.3288 -27.3288 -27.3288 -27.3288 -11.0308 -11.0308 -11.0250 -11.0250 -10.7936 -10.7936 -10.7610 -10.7610 -10.7516 -10.7516 -10.7250 -10.7250 -5.6045 -5.6045 -5.6039 -5.6039 1.2423 1.2423 1.2514 1.2514 2.1429 2.1429 2.1972 2.1972 3.0157 3.0157 3.0724 3.0724 6.1373 6.1373 6.1521 6.1521 6.5448 6.5448 6.5476 6.5476 k = 0.1667 0.3555 0.3319 ( 22320 PWs) bands (ev): -42.1958 -42.1958 -42.1956 -42.1956 -42.1670 -42.1670 -42.1668 -42.1668 -27.3289 -27.3289 -27.3289 -27.3289 -11.0299 -11.0299 -11.0244 -11.0244 -10.7923 -10.7923 -10.7606 -10.7606 -10.7512 -10.7512 -10.7252 -10.7252 -5.6085 -5.6085 -5.6079 -5.6079 1.2205 1.2205 1.2281 1.2281 2.2011 2.2011 2.2544 2.2544 3.0225 3.0225 3.0794 3.0794 6.1240 6.1240 6.1383 6.1383 6.5823 6.5823 6.5849 6.5849 k = 0.1528 0.3555 0.3319 ( 22328 PWs) bands (ev): -42.1960 -42.1960 -42.1958 -42.1958 -42.1668 -42.1668 -42.1666 -42.1666 -27.3290 -27.3290 -27.3290 -27.3290 -11.0290 -11.0290 -11.0238 -11.0238 -10.7909 -10.7909 -10.7607 -10.7607 -10.7502 -10.7502 -10.7254 -10.7254 -5.6122 -5.6122 -5.6117 -5.6117 1.1997 1.1997 1.2060 1.2060 2.2592 2.2592 2.3119 2.3119 3.0275 3.0275 3.0846 3.0846 6.1097 6.1097 6.1234 6.1234 6.6213 6.6213 6.6239 6.6239 k = 0.1389 0.3555 0.3319 ( 22312 PWs) bands (ev): -42.1962 -42.1962 -42.1960 -42.1960 -42.1666 -42.1666 -42.1665 -42.1665 -27.3291 -27.3291 -27.3291 -27.3291 -11.0282 -11.0282 -11.0233 -11.0233 -10.7895 -10.7895 -10.7613 -10.7613 -10.7488 -10.7488 -10.7258 -10.7258 -5.6157 -5.6157 -5.6152 -5.6152 1.1803 1.1803 1.1855 1.1855 2.3168 2.3168 2.3688 2.3688 3.0308 3.0308 3.0877 3.0877 6.0952 6.0952 6.1080 6.1080 6.6606 6.6606 6.6631 6.6631 k = 0.1250 0.3555 0.3319 ( 22320 PWs) bands (ev): -42.1963 -42.1963 -42.1962 -42.1962 -42.1664 -42.1664 -42.1663 -42.1663 -27.3292 -27.3292 -27.3292 -27.3292 -11.0274 -11.0274 -11.0229 -11.0229 -10.7880 -10.7880 -10.7622 -10.7622 -10.7472 -10.7472 -10.7262 -10.7262 -5.6189 -5.6189 -5.6185 -5.6185 1.1623 1.1623 1.1666 1.1666 2.3731 2.3731 2.4245 2.4245 3.0325 3.0325 3.0890 3.0890 6.0808 6.0808 6.0928 6.0928 6.6989 6.6989 6.7014 6.7014 k = 0.1111 0.3555 0.3319 ( 22312 PWs) bands (ev): -42.1965 -42.1965 -42.1963 -42.1963 -42.1663 -42.1663 -42.1661 -42.1661 -27.3293 -27.3293 -27.3293 -27.3293 -11.0267 -11.0267 -11.0226 -11.0226 -10.7865 -10.7865 -10.7633 -10.7633 -10.7455 -10.7455 -10.7266 -10.7266 -5.6219 -5.6219 -5.6215 -5.6215 1.1459 1.1459 1.1495 1.1495 2.4277 2.4277 2.4781 2.4781 3.0326 3.0326 3.0883 3.0883 6.0671 6.0671 6.0782 6.0782 6.7351 6.7351 6.7376 6.7376 k = 0.0972 0.3555 0.3319 ( 22308 PWs) bands (ev): -42.1966 -42.1966 -42.1965 -42.1965 -42.1661 -42.1661 -42.1660 -42.1660 -27.3294 -27.3294 -27.3294 -27.3294 -11.0260 -11.0260 -11.0223 -11.0223 -10.7849 -10.7849 -10.7645 -10.7645 -10.7438 -10.7438 -10.7272 -10.7272 -5.6245 -5.6245 -5.6242 -5.6242 1.1312 1.1312 1.1342 1.1342 2.4798 2.4798 2.5290 2.5290 3.0314 3.0314 3.0856 3.0856 6.0544 6.0544 6.0644 6.0644 6.7681 6.7681 6.7705 6.7705 k = 0.0833 0.3555 0.3319 ( 22308 PWs) bands (ev): -42.1968 -42.1968 -42.1966 -42.1966 -42.1660 -42.1660 -42.1659 -42.1659 -27.3294 -27.3294 -27.3294 -27.3294 -11.0254 -11.0254 -11.0222 -11.0222 -10.7834 -10.7834 -10.7657 -10.7657 -10.7422 -10.7422 -10.7278 -10.7278 -5.6269 -5.6269 -5.6265 -5.6265 1.1184 1.1184 1.1208 1.1208 2.5288 2.5288 2.5760 2.5760 3.0291 3.0291 3.0810 3.0810 6.0428 6.0428 6.0517 6.0517 6.7964 6.7964 6.7987 6.7987 k = 0.0694 0.3555 0.3319 ( 22300 PWs) bands (ev): -42.1969 -42.1969 -42.1967 -42.1967 -42.1659 -42.1659 -42.1658 -42.1658 -27.3295 -27.3295 -27.3295 -27.3295 -11.0248 -11.0248 -11.0221 -11.0221 -10.7818 -10.7818 -10.7670 -10.7670 -10.7405 -10.7405 -10.7285 -10.7285 -5.6288 -5.6288 -5.6286 -5.6286 1.1075 1.1075 1.1093 1.1093 2.5740 2.5740 2.6182 2.6182 3.0263 3.0263 3.0746 3.0746 6.0327 6.0327 6.0403 6.0403 6.8190 6.8190 6.8209 6.8209 k = 0.0556 0.3555 0.3319 ( 22320 PWs) bands (ev): -42.1970 -42.1970 -42.1968 -42.1968 -42.1658 -42.1658 -42.1657 -42.1657 -27.3295 -27.3295 -27.3295 -27.3295 -11.0242 -11.0242 -11.0221 -11.0221 -10.7803 -10.7803 -10.7684 -10.7684 -10.7389 -10.7389 -10.7293 -10.7293 -5.6305 -5.6305 -5.6303 -5.6303 1.0985 1.0985 1.0999 1.0999 2.6146 2.6146 2.6543 2.6543 3.0234 3.0234 3.0666 3.0666 6.0242 6.0242 6.0305 6.0305 6.8348 6.8348 6.8363 6.8363 k = 0.0417 0.3555 0.3319 ( 22340 PWs) bands (ev): -42.1970 -42.1970 -42.1969 -42.1969 -42.1658 -42.1658 -42.1656 -42.1656 -27.3296 -27.3296 -27.3296 -27.3296 -11.0237 -11.0237 -11.0221 -11.0221 -10.7787 -10.7787 -10.7698 -10.7698 -10.7374 -10.7374 -10.7302 -10.7302 -5.6318 -5.6318 -5.6316 -5.6316 1.0914 1.0914 1.0925 1.0925 2.6497 2.6497 2.6828 2.6828 3.0216 3.0216 3.0574 3.0574 6.0176 6.0176 6.0224 6.0224 6.8439 6.8439 6.8450 6.8450 k = 0.0278 0.3555 0.3319 ( 22344 PWs) bands (ev): -42.1971 -42.1971 -42.1969 -42.1969 -42.1657 -42.1657 -42.1656 -42.1656 -27.3296 -27.3296 -27.3296 -27.3296 -11.0233 -11.0233 -11.0222 -11.0222 -10.7772 -10.7772 -10.7712 -10.7712 -10.7360 -10.7360 -10.7311 -10.7311 -5.6327 -5.6327 -5.6326 -5.6326 1.0864 1.0864 1.0871 1.0871 2.6781 2.6781 2.7023 2.7023 3.0216 3.0216 3.0476 3.0476 6.0130 6.0130 6.0162 6.0162 6.8478 6.8478 6.8484 6.8484 k = 0.0139 0.3555 0.3319 ( 22336 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0230 -11.0230 -11.0224 -11.0224 -10.7757 -10.7757 -10.7727 -10.7727 -10.7346 -10.7346 -10.7322 -10.7322 -5.6332 -5.6332 -5.6332 -5.6332 1.0835 1.0835 1.0838 1.0838 2.6987 2.6987 2.7116 2.7116 3.0243 3.0243 3.0381 3.0381 6.0105 6.0105 6.0121 6.0121 6.8488 6.8488 6.8490 6.8490 k = 0.0000 0.3555 0.3319 ( 22336 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7742 -10.7742 -10.7742 -10.7742 -10.7334 -10.7334 -10.7334 -10.7334 -5.6334 -5.6334 -5.6334 -5.6334 1.0826 1.0826 1.0826 1.0826 2.7102 2.7102 2.7103 2.7103 3.0300 3.0300 3.0300 3.0300 6.0102 6.0102 6.0102 6.0102 6.8489 6.8489 6.8489 6.8489 k = 0.0000 0.3555 0.3319 ( 22336 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7742 -10.7742 -10.7742 -10.7742 -10.7334 -10.7334 -10.7334 -10.7334 -5.6334 -5.6334 -5.6334 -5.6334 1.0826 1.0826 1.0826 1.0826 2.7102 2.7102 2.7103 2.7103 3.0300 3.0300 3.0300 3.0300 6.0102 6.0102 6.0102 6.0102 6.8489 6.8489 6.8489 6.8489 k = 0.0000 0.3418 0.3319 ( 22344 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7741 -10.7741 -10.7741 -10.7741 -10.7334 -10.7334 -10.7334 -10.7334 -5.6336 -5.6336 -5.6335 -5.6335 1.0842 1.0842 1.0842 1.0842 2.7104 2.7104 2.7104 2.7104 3.0294 3.0294 3.0294 3.0294 6.0080 6.0080 6.0080 6.0080 6.8465 6.8465 6.8466 6.8466 k = 0.0000 0.3282 0.3319 ( 22332 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7741 -10.7741 -10.7741 -10.7741 -10.7334 -10.7334 -10.7334 -10.7334 -5.6341 -5.6341 -5.6340 -5.6340 1.0888 1.0888 1.0888 1.0888 2.7108 2.7108 2.7109 2.7109 3.0276 3.0276 3.0276 3.0276 6.0011 6.0011 6.0011 6.0011 6.8397 6.8397 6.8398 6.8398 k = 0.0000 0.3145 0.3319 ( 22336 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7741 -10.7741 -10.7741 -10.7741 -10.7334 -10.7334 -10.7334 -10.7334 -5.6349 -5.6349 -5.6349 -5.6349 1.0965 1.0965 1.0965 1.0965 2.7116 2.7116 2.7116 2.7116 3.0246 3.0246 3.0246 3.0246 5.9895 5.9895 5.9895 5.9895 6.8291 6.8291 6.8291 6.8291 k = 0.0000 0.3008 0.3319 ( 22332 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0225 -11.0225 -11.0225 -11.0225 -10.7740 -10.7740 -10.7740 -10.7740 -10.7334 -10.7334 -10.7334 -10.7334 -5.6360 -5.6360 -5.6360 -5.6360 1.1072 1.1072 1.1072 1.1072 2.7126 2.7126 2.7126 2.7126 3.0204 3.0204 3.0204 3.0204 5.9728 5.9728 5.9728 5.9728 6.8156 6.8156 6.8157 6.8157 k = 0.0000 0.2871 0.3319 ( 22354 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0225 -11.0225 -11.0225 -11.0225 -10.7739 -10.7739 -10.7739 -10.7739 -10.7334 -10.7334 -10.7334 -10.7334 -5.6374 -5.6374 -5.6374 -5.6374 1.1209 1.1209 1.1209 1.1209 2.7138 2.7138 2.7138 2.7138 3.0150 3.0150 3.0150 3.0150 5.9507 5.9507 5.9507 5.9507 6.8005 6.8005 6.8005 6.8005 k = 0.0000 0.2735 0.3319 ( 22340 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0224 -11.0224 -11.0224 -11.0224 -10.7738 -10.7738 -10.7738 -10.7738 -10.7333 -10.7333 -10.7333 -10.7333 -5.6391 -5.6391 -5.6391 -5.6391 1.1374 1.1374 1.1374 1.1374 2.7152 2.7152 2.7153 2.7153 3.0084 3.0084 3.0084 3.0084 5.9230 5.9230 5.9230 5.9230 6.7848 6.7848 6.7848 6.7848 k = 0.0000 0.2598 0.3319 ( 22352 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0223 -11.0223 -11.0223 -11.0223 -10.7736 -10.7736 -10.7736 -10.7736 -10.7333 -10.7333 -10.7333 -10.7333 -5.6411 -5.6411 -5.6410 -5.6410 1.1566 1.1566 1.1566 1.1566 2.7168 2.7168 2.7169 2.7169 3.0006 3.0006 3.0006 3.0006 5.8896 5.8896 5.8896 5.8896 6.7696 6.7696 6.7697 6.7697 k = 0.0000 0.2461 0.3319 ( 22366 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0222 -11.0222 -11.0222 -11.0222 -10.7735 -10.7735 -10.7735 -10.7735 -10.7333 -10.7333 -10.7333 -10.7333 -5.6432 -5.6432 -5.6432 -5.6432 1.1783 1.1783 1.1783 1.1783 2.7186 2.7186 2.7186 2.7186 2.9917 2.9917 2.9917 2.9917 5.8509 5.8509 5.8509 5.8509 6.7556 6.7556 6.7556 6.7556 k = 0.0000 0.2324 0.3319 ( 22348 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0221 -11.0221 -11.0221 -11.0221 -10.7733 -10.7733 -10.7733 -10.7733 -10.7333 -10.7333 -10.7333 -10.7333 -5.6456 -5.6456 -5.6455 -5.6455 1.2025 1.2025 1.2025 1.2025 2.7204 2.7204 2.7204 2.7204 2.9817 2.9817 2.9817 2.9817 5.8072 5.8072 5.8072 5.8072 6.7429 6.7429 6.7429 6.7429 k = 0.0000 0.2188 0.3319 ( 22328 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0219 -11.0219 -11.0219 -11.0219 -10.7732 -10.7732 -10.7732 -10.7732 -10.7333 -10.7333 -10.7333 -10.7333 -5.6480 -5.6480 -5.6480 -5.6480 1.2288 1.2288 1.2288 1.2288 2.7222 2.7222 2.7222 2.7222 2.9706 2.9706 2.9706 2.9706 5.7594 5.7594 5.7594 5.7594 6.7313 6.7313 6.7313 6.7313 k = 0.0000 0.2051 0.3319 ( 22360 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0218 -11.0218 -11.0218 -11.0218 -10.7730 -10.7730 -10.7730 -10.7730 -10.7333 -10.7333 -10.7333 -10.7333 -5.6506 -5.6506 -5.6506 -5.6506 1.2571 1.2571 1.2571 1.2571 2.7239 2.7239 2.7240 2.7240 2.9585 2.9585 2.9585 2.9585 5.7083 5.7083 5.7084 5.7084 6.7204 6.7204 6.7204 6.7204 k = 0.0000 0.1914 0.3319 ( 22372 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0217 -11.0217 -11.0217 -11.0217 -10.7728 -10.7728 -10.7728 -10.7728 -10.7333 -10.7333 -10.7333 -10.7333 -5.6533 -5.6533 -5.6533 -5.6533 1.2871 1.2871 1.2871 1.2871 2.7255 2.7255 2.7255 2.7255 2.9456 2.9456 2.9456 2.9456 5.6551 5.6551 5.6551 5.6551 6.7095 6.7095 6.7095 6.7095 k = 0.0000 0.1778 0.3319 ( 22376 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0216 -11.0216 -11.0216 -11.0216 -10.7726 -10.7726 -10.7726 -10.7726 -10.7333 -10.7333 -10.7333 -10.7333 -5.6560 -5.6560 -5.6560 -5.6560 1.3185 1.3185 1.3186 1.3186 2.7268 2.7268 2.7268 2.7268 2.9319 2.9319 2.9319 2.9319 5.6008 5.6008 5.6008 5.6008 6.6983 6.6983 6.6984 6.6984 k = 0.0000 0.1641 0.3319 ( 22382 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0214 -11.0214 -11.0214 -11.0214 -10.7724 -10.7724 -10.7724 -10.7724 -10.7333 -10.7333 -10.7333 -10.7333 -5.6588 -5.6588 -5.6587 -5.6587 1.3510 1.3510 1.3510 1.3510 2.7276 2.7276 2.7276 2.7276 2.9177 2.9177 2.9177 2.9177 5.5464 5.5464 5.5464 5.5464 6.6866 6.6866 6.6866 6.6866 k = 0.0000 0.1504 0.3319 ( 22374 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0213 -11.0213 -11.0213 -11.0213 -10.7723 -10.7723 -10.7723 -10.7723 -10.7333 -10.7333 -10.7333 -10.7333 -5.6614 -5.6614 -5.6614 -5.6614 1.3841 1.3841 1.3841 1.3841 2.7278 2.7278 2.7279 2.7279 2.9033 2.9033 2.9033 2.9033 5.4929 5.4929 5.4929 5.4929 6.6744 6.6744 6.6744 6.6744 k = 0.0000 0.1367 0.3319 ( 22366 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0212 -11.0212 -11.0212 -11.0212 -10.7721 -10.7721 -10.7721 -10.7721 -10.7333 -10.7333 -10.7332 -10.7332 -5.6640 -5.6640 -5.6640 -5.6640 1.4175 1.4175 1.4175 1.4175 2.7273 2.7273 2.7273 2.7273 2.8889 2.8889 2.8889 2.8889 5.4412 5.4412 5.4412 5.4412 6.6618 6.6618 6.6619 6.6619 k = 0.0000 0.1231 0.3319 ( 22372 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0211 -11.0211 -11.0211 -11.0211 -10.7719 -10.7719 -10.7719 -10.7719 -10.7332 -10.7332 -10.7332 -10.7332 -5.6665 -5.6665 -5.6665 -5.6665 1.4506 1.4506 1.4506 1.4506 2.7257 2.7257 2.7257 2.7257 2.8750 2.8750 2.8750 2.8750 5.3921 5.3921 5.3921 5.3921 6.6494 6.6494 6.6494 6.6494 k = 0.0000 0.1094 0.3319 ( 22384 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0209 -11.0209 -11.0209 -11.0209 -10.7717 -10.7717 -10.7717 -10.7717 -10.7332 -10.7332 -10.7332 -10.7332 -5.6688 -5.6688 -5.6688 -5.6688 1.4829 1.4829 1.4829 1.4829 2.7229 2.7229 2.7229 2.7229 2.8621 2.8621 2.8622 2.8622 5.3463 5.3463 5.3463 5.3463 6.6373 6.6373 6.6373 6.6373 k = 0.0000 0.0957 0.3319 ( 22372 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0208 -11.0208 -11.0208 -11.0208 -10.7716 -10.7716 -10.7716 -10.7716 -10.7332 -10.7332 -10.7332 -10.7332 -5.6709 -5.6709 -5.6709 -5.6709 1.5138 1.5138 1.5139 1.5139 2.7188 2.7188 2.7188 2.7188 2.8507 2.8507 2.8507 2.8507 5.3045 5.3045 5.3045 5.3045 6.6260 6.6260 6.6260 6.6260 k = 0.0000 0.0820 0.3319 ( 22386 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0207 -11.0207 -11.0207 -11.0207 -10.7715 -10.7715 -10.7715 -10.7715 -10.7332 -10.7332 -10.7332 -10.7332 -5.6728 -5.6728 -5.6728 -5.6728 1.5427 1.5427 1.5427 1.5427 2.7135 2.7135 2.7135 2.7135 2.8410 2.8410 2.8411 2.8411 5.2673 5.2673 5.2673 5.2673 6.6156 6.6156 6.6156 6.6156 k = 0.0000 0.0684 0.3319 ( 22368 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0207 -11.0207 -11.0207 -11.0207 -10.7714 -10.7714 -10.7714 -10.7714 -10.7332 -10.7332 -10.7332 -10.7332 -5.6745 -5.6745 -5.6744 -5.6744 1.5688 1.5688 1.5688 1.5688 2.7071 2.7071 2.7071 2.7071 2.8333 2.8333 2.8333 2.8333 5.2350 5.2350 5.2350 5.2350 6.6065 6.6065 6.6065 6.6065 k = 0.0000 0.0547 0.3319 ( 22374 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0206 -11.0206 -11.0206 -11.0206 -10.7713 -10.7713 -10.7713 -10.7713 -10.7332 -10.7332 -10.7332 -10.7332 -5.6758 -5.6758 -5.6758 -5.6758 1.5915 1.5915 1.5915 1.5915 2.7004 2.7004 2.7004 2.7004 2.8275 2.8275 2.8275 2.8275 5.2080 5.2080 5.2080 5.2080 6.5988 6.5988 6.5989 6.5989 k = 0.0000 0.0410 0.3319 ( 22370 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7712 -10.7712 -10.7712 -10.7712 -10.7332 -10.7332 -10.7332 -10.7332 -5.6769 -5.6769 -5.6769 -5.6769 1.6100 1.6100 1.6100 1.6100 2.6941 2.6941 2.6941 2.6941 2.8234 2.8234 2.8234 2.8234 5.1868 5.1868 5.1868 5.1868 6.5927 6.5927 6.5928 6.5928 k = 0.0000 0.0273 0.3319 ( 22356 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7711 -10.7711 -10.7711 -10.7711 -10.7332 -10.7332 -10.7332 -10.7332 -5.6777 -5.6777 -5.6777 -5.6777 1.6238 1.6238 1.6238 1.6238 2.6889 2.6889 2.6889 2.6889 2.8207 2.8207 2.8207 2.8207 5.1714 5.1714 5.1714 5.1714 6.5883 6.5883 6.5883 6.5883 k = 0.0000 0.0137 0.3319 ( 22366 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7711 -10.7711 -10.7711 -10.7711 -10.7332 -10.7332 -10.7332 -10.7332 -5.6782 -5.6782 -5.6782 -5.6782 1.6323 1.6323 1.6323 1.6323 2.6855 2.6855 2.6855 2.6855 2.8192 2.8192 2.8192 2.8192 5.1621 5.1621 5.1621 5.1621 6.5856 6.5856 6.5856 6.5856 k = 0.0000 0.0000 0.3319 ( 22356 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0205 -11.0205 -11.0205 -11.0205 -10.7711 -10.7711 -10.7711 -10.7711 -10.7332 -10.7332 -10.7332 -10.7332 -5.6784 -5.6784 -5.6784 -5.6784 1.6351 1.6351 1.6351 1.6351 2.6843 2.6843 2.6843 2.6843 2.8187 2.8187 2.8187 2.8187 5.1590 5.1590 5.1590 5.1590 6.5847 6.5847 6.5847 6.5847 k = 0.0000 0.3555-0.0000 ( 22414 PWs) bands (ev): -42.2035 -42.2035 -42.1845 -42.1845 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9966 -10.9966 -10.7993 -10.7993 -10.7572 -10.7572 -10.7472 -10.7472 -10.7070 -10.7070 -5.7410 -5.7410 -5.5546 -5.5546 1.3305 1.3305 1.5521 1.5521 1.9467 1.9467 2.3041 2.3041 2.8178 2.8178 3.3248 3.3248 6.1132 6.1132 6.4660 6.4660 6.9392 6.9392 7.0919 7.0919 k = 0.0000 0.3555 0.0138 ( 22426 PWs) bands (ev): -42.2035 -42.2035 -42.1846 -42.1846 -42.1779 -42.1779 -42.1594 -42.1594 -27.3352 -27.3352 -27.3240 -27.3240 -11.0469 -11.0469 -10.9966 -10.9966 -10.7992 -10.7992 -10.7572 -10.7572 -10.7471 -10.7471 -10.7071 -10.7071 -5.7408 -5.7408 -5.5547 -5.5547 1.3194 1.3194 1.5656 1.5656 1.9430 1.9430 2.3048 2.3048 2.8210 2.8210 3.3233 3.3233 6.1145 6.1145 6.4661 6.4661 6.9359 6.9359 7.0800 7.0800 k = 0.0000 0.3555 0.0277 ( 22396 PWs) bands (ev): -42.2035 -42.2035 -42.1848 -42.1848 -42.1777 -42.1777 -42.1594 -42.1594 -27.3352 -27.3352 -27.3241 -27.3241 -11.0467 -11.0467 -10.9968 -10.9968 -10.7990 -10.7990 -10.7573 -10.7573 -10.7471 -10.7471 -10.7073 -10.7073 -5.7400 -5.7400 -5.5551 -5.5551 1.2921 1.2921 1.6002 1.6002 1.9321 1.9321 2.3068 2.3068 2.8302 2.8302 3.3189 3.3189 6.1186 6.1186 6.4662 6.4662 6.9259 6.9259 7.0484 7.0484 k = 0.0000 0.3555 0.0415 ( 22384 PWs) bands (ev): -42.2034 -42.2034 -42.1851 -42.1851 -42.1773 -42.1773 -42.1595 -42.1595 -27.3351 -27.3351 -27.3241 -27.3241 -11.0465 -11.0465 -10.9971 -10.9971 -10.7987 -10.7987 -10.7575 -10.7575 -10.7470 -10.7470 -10.7077 -10.7077 -5.7388 -5.7388 -5.5557 -5.5557 1.2576 1.2576 1.6464 1.6464 1.9150 1.9150 2.3102 2.3102 2.8450 2.8450 3.3116 3.3116 6.1254 6.1254 6.4661 6.4661 6.9090 6.9090 7.0053 7.0053 k = 0.0000 0.3555 0.0553 ( 22402 PWs) bands (ev): -42.2033 -42.2033 -42.1856 -42.1856 -42.1769 -42.1769 -42.1596 -42.1596 -27.3350 -27.3350 -27.3242 -27.3242 -11.0462 -11.0462 -10.9974 -10.9974 -10.7983 -10.7983 -10.7578 -10.7578 -10.7468 -10.7468 -10.7081 -10.7081 -5.7370 -5.7370 -5.5566 -5.5566 1.2211 1.2211 1.6977 1.6977 1.8936 1.8936 2.3152 2.3152 2.8642 2.8642 3.3015 3.3015 6.1349 6.1349 6.4656 6.4656 6.8838 6.8838 6.9581 6.9581 k = 0.0000 0.3555 0.0692 ( 22398 PWs) bands (ev): -42.2032 -42.2032 -42.1860 -42.1860 -42.1764 -42.1764 -42.1597 -42.1597 -27.3349 -27.3349 -27.3243 -27.3243 -11.0458 -11.0458 -10.9979 -10.9979 -10.7977 -10.7977 -10.7581 -10.7581 -10.7466 -10.7466 -10.7088 -10.7088 -5.7348 -5.7348 -5.5578 -5.5578 1.1851 1.1851 1.7468 1.7468 1.8736 1.8736 2.3219 2.3219 2.8868 2.8868 3.2889 3.2889 6.1470 6.1470 6.4641 6.4641 6.8475 6.8475 6.9142 6.9142 k = 0.0000 0.3555 0.0830 ( 22374 PWs) bands (ev): -42.2031 -42.2031 -42.1866 -42.1866 -42.1759 -42.1759 -42.1598 -42.1598 -27.3348 -27.3348 -27.3244 -27.3244 -11.0452 -11.0452 -10.9985 -10.9985 -10.7970 -10.7970 -10.7585 -10.7585 -10.7464 -10.7464 -10.7095 -10.7095 -5.7321 -5.7321 -5.5592 -5.5592 1.1510 1.1510 1.7725 1.7725 1.8759 1.8759 2.3303 2.3303 2.9117 2.9117 3.2739 3.2739 6.1616 6.1616 6.4609 6.4609 6.7989 6.7989 6.8781 6.8781 k = 0.0000 0.3555 0.0968 ( 22390 PWs) bands (ev): -42.2029 -42.2029 -42.1871 -42.1871 -42.1753 -42.1753 -42.1599 -42.1599 -27.3346 -27.3346 -27.3246 -27.3246 -11.0446 -11.0446 -10.9992 -10.9992 -10.7962 -10.7962 -10.7589 -10.7589 -10.7461 -10.7461 -10.7104 -10.7104 -5.7290 -5.7290 -5.5609 -5.5609 1.1192 1.1192 1.7564 1.7564 1.9188 1.9188 2.3405 2.3405 2.9378 2.9378 3.2567 3.2567 6.1787 6.1787 6.4549 6.4549 6.7423 6.7423 6.8484 6.8484 k = 0.0000 0.3555 0.1106 ( 22384 PWs) bands (ev): -42.2028 -42.2028 -42.1877 -42.1877 -42.1747 -42.1747 -42.1601 -42.1601 -27.3345 -27.3345 -27.3248 -27.3248 -11.0439 -11.0439 -11.0000 -11.0000 -10.7953 -10.7953 -10.7594 -10.7594 -10.7458 -10.7458 -10.7113 -10.7113 -5.7254 -5.7254 -5.5629 -5.5629 1.0902 1.0902 1.7218 1.7218 1.9793 1.9793 2.3526 2.3526 2.9638 2.9638 3.2379 3.2379 6.1981 6.1981 6.4450 6.4450 6.6822 6.6822 6.8233 6.8233 k = 0.0000 0.3555 0.1245 ( 22372 PWs) bands (ev): -42.2026 -42.2026 -42.1883 -42.1883 -42.1741 -42.1741 -42.1603 -42.1603 -27.3343 -27.3343 -27.3249 -27.3249 -11.0431 -11.0431 -11.0009 -11.0009 -10.7943 -10.7943 -10.7599 -10.7599 -10.7454 -10.7454 -10.7124 -10.7124 -5.7214 -5.7214 -5.5652 -5.5652 1.0643 1.0643 1.6811 1.6811 2.0453 2.0453 2.3666 2.3666 2.9888 2.9888 3.2179 3.2179 6.2196 6.2196 6.4301 6.4301 6.6211 6.6211 6.8034 6.8034 k = 0.0000 0.3555 0.1383 ( 22386 PWs) bands (ev): -42.2023 -42.2023 -42.1889 -42.1889 -42.1735 -42.1735 -42.1605 -42.1605 -27.3341 -27.3341 -27.3252 -27.3252 -11.0423 -11.0423 -11.0019 -11.0019 -10.7932 -10.7932 -10.7605 -10.7605 -10.7450 -10.7450 -10.7136 -10.7136 -5.7170 -5.7170 -5.5678 -5.5678 1.0415 1.0415 1.6375 1.6375 2.1136 2.1136 2.3826 2.3826 3.0111 3.0111 3.1978 3.1978 6.2427 6.2427 6.4094 6.4094 6.5605 6.5605 6.7894 6.7894 k = 0.0000 0.3555 0.1521 ( 22366 PWs) bands (ev): -42.2021 -42.2021 -42.1896 -42.1896 -42.1729 -42.1729 -42.1608 -42.1608 -27.3338 -27.3338 -27.3254 -27.3254 -11.0413 -11.0413 -11.0030 -11.0030 -10.7920 -10.7920 -10.7612 -10.7612 -10.7446 -10.7446 -10.7148 -10.7148 -5.7123 -5.7123 -5.5707 -5.5707 1.0222 1.0222 1.5924 1.5924 2.1826 2.1826 2.4009 2.4009 3.0286 3.0286 3.1792 3.1792 6.2664 6.2664 6.3831 6.3831 6.5023 6.5023 6.7821 6.7821 k = 0.0000 0.3555 0.1660 ( 22360 PWs) bands (ev): -42.2018 -42.2018 -42.1902 -42.1902 -42.1723 -42.1723 -42.1610 -42.1610 -27.3336 -27.3336 -27.3256 -27.3256 -11.0402 -11.0402 -11.0042 -11.0042 -10.7908 -10.7908 -10.7619 -10.7619 -10.7441 -10.7441 -10.7161 -10.7161 -5.7073 -5.7073 -5.5739 -5.5739 1.0062 1.0062 1.5467 1.5467 2.2513 2.2513 2.4219 2.4219 3.0382 3.0382 3.1648 3.1648 6.2871 6.2871 6.3524 6.3524 6.4498 6.4498 6.7812 6.7812 k = 0.0000 0.3555 0.1798 ( 22384 PWs) bands (ev): -42.2015 -42.2015 -42.1908 -42.1908 -42.1717 -42.1717 -42.1613 -42.1613 -27.3333 -27.3333 -27.3259 -27.3259 -11.0391 -11.0391 -11.0054 -11.0054 -10.7895 -10.7895 -10.7626 -10.7626 -10.7435 -10.7435 -10.7175 -10.7175 -5.7019 -5.7019 -5.5773 -5.5773 0.9937 0.9937 1.5008 1.5008 2.3177 2.3177 2.4470 2.4470 3.0365 3.0365 3.1578 3.1578 6.2916 6.2916 6.3224 6.3224 6.4132 6.4132 6.7863 6.7863 k = 0.0000 0.3555 0.1936 ( 22366 PWs) bands (ev): -42.2012 -42.2012 -42.1914 -42.1914 -42.1711 -42.1711 -42.1616 -42.1616 -27.3330 -27.3330 -27.3262 -27.3262 -11.0379 -11.0379 -11.0067 -11.0067 -10.7881 -10.7881 -10.7634 -10.7634 -10.7429 -10.7429 -10.7189 -10.7189 -5.6963 -5.6963 -5.5811 -5.5811 0.9847 0.9847 1.4553 1.4553 2.3784 2.3784 2.4789 2.4789 3.0232 3.0232 3.1580 3.1580 6.2645 6.2645 6.2921 6.2921 6.4111 6.4111 6.7964 6.7964 k = 0.0000 0.3555 0.2075 ( 22364 PWs) bands (ev): -42.2009 -42.2009 -42.1920 -42.1920 -42.1705 -42.1705 -42.1619 -42.1619 -27.3327 -27.3327 -27.3265 -27.3265 -11.0366 -11.0366 -11.0081 -11.0081 -10.7868 -10.7868 -10.7643 -10.7643 -10.7423 -10.7423 -10.7204 -10.7204 -5.6904 -5.6904 -5.5852 -5.5852 0.9792 0.9792 1.4104 1.4104 2.4286 2.4286 2.5218 2.5218 3.0018 3.0018 3.1618 3.1618 6.2256 6.2256 6.2521 6.2521 6.4351 6.4351 6.8107 6.8107 k = 0.0000 0.3555 0.2213 ( 22354 PWs) bands (ev): -42.2005 -42.2005 -42.1926 -42.1926 -42.1699 -42.1699 -42.1622 -42.1622 -27.3324 -27.3324 -27.3268 -27.3268 -11.0353 -11.0353 -11.0096 -11.0096 -10.7853 -10.7853 -10.7652 -10.7652 -10.7416 -10.7416 -10.7219 -10.7219 -5.6844 -5.6844 -5.5895 -5.5895 0.9772 0.9772 1.3666 1.3666 2.4675 2.4675 2.5761 2.5761 2.9759 2.9759 3.1652 3.1652 6.1848 6.1848 6.2101 6.2101 6.4692 6.4692 6.8285 6.8285 k = 0.0000 0.3555 0.2351 ( 22354 PWs) bands (ev): -42.2002 -42.2002 -42.1932 -42.1932 -42.1694 -42.1694 -42.1626 -42.1626 -27.3321 -27.3321 -27.3271 -27.3271 -11.0338 -11.0338 -11.0111 -11.0111 -10.7839 -10.7839 -10.7661 -10.7661 -10.7408 -10.7408 -10.7234 -10.7234 -5.6782 -5.6782 -5.5942 -5.5942 0.9787 0.9787 1.3241 1.3241 2.4999 2.4999 2.6360 2.6360 2.9478 2.9478 3.1660 3.1660 6.1452 6.1452 6.1702 6.1702 6.5084 6.5084 6.8492 6.8492 k = 0.0000 0.3555 0.2490 ( 22346 PWs) bands (ev): -42.1998 -42.1998 -42.1938 -42.1938 -42.1688 -42.1688 -42.1630 -42.1630 -27.3318 -27.3318 -27.3275 -27.3275 -11.0324 -11.0324 -11.0127 -11.0127 -10.7825 -10.7825 -10.7671 -10.7671 -10.7399 -10.7399 -10.7249 -10.7249 -5.6719 -5.6719 -5.5991 -5.5991 0.9837 0.9837 1.2832 1.2832 2.5298 2.5298 2.6963 2.6963 2.9191 2.9191 3.1627 3.1627 6.1089 6.1089 6.1333 6.1333 6.5508 6.5508 6.8720 6.8720 k = 0.0000 0.3555 0.2628 ( 22316 PWs) bands (ev): -42.1994 -42.1994 -42.1944 -42.1944 -42.1682 -42.1682 -42.1634 -42.1634 -27.3314 -27.3314 -27.3278 -27.3278 -11.0308 -11.0308 -11.0143 -11.0143 -10.7811 -10.7811 -10.7682 -10.7682 -10.7390 -10.7390 -10.7264 -10.7264 -5.6655 -5.6655 -5.6043 -5.6043 0.9921 0.9921 1.2441 1.2441 2.5592 2.5592 2.7523 2.7523 2.8928 2.8928 3.1546 3.1546 6.0772 6.0772 6.1003 6.1003 6.5960 6.5960 6.8960 6.8960 k = 0.0000 0.3555 0.2766 ( 22312 PWs) bands (ev): -42.1989 -42.1989 -42.1949 -42.1949 -42.1677 -42.1677 -42.1638 -42.1638 -27.3311 -27.3311 -27.3282 -27.3282 -11.0293 -11.0293 -11.0159 -11.0159 -10.7796 -10.7796 -10.7693 -10.7693 -10.7380 -10.7380 -10.7278 -10.7278 -5.6590 -5.6590 -5.6097 -5.6097 1.0038 1.0038 1.2070 1.2070 2.5886 2.5886 2.7928 2.7928 2.8793 2.8793 3.1411 3.1411 6.0510 6.0510 6.0715 6.0715 6.6435 6.6435 6.9193 6.9193 k = 0.0000 0.3555 0.2905 ( 22310 PWs) bands (ev): -42.1985 -42.1985 -42.1955 -42.1955 -42.1671 -42.1671 -42.1642 -42.1642 -27.3307 -27.3307 -27.3285 -27.3285 -11.0276 -11.0276 -11.0176 -11.0176 -10.7782 -10.7782 -10.7704 -10.7704 -10.7369 -10.7369 -10.7293 -10.7293 -5.6525 -5.6525 -5.6153 -5.6153 1.0188 1.0188 1.1721 1.1721 2.6185 2.6185 2.7936 2.7936 2.9019 2.9019 3.1219 3.1219 6.0309 6.0309 6.0476 6.0476 6.6930 6.6930 6.9364 6.9364 k = 0.0000 0.3555 0.3043 ( 22314 PWs) bands (ev): -42.1980 -42.1980 -42.1960 -42.1960 -42.1666 -42.1666 -42.1647 -42.1647 -27.3303 -27.3303 -27.3289 -27.3289 -11.0260 -11.0260 -11.0193 -11.0193 -10.7768 -10.7768 -10.7716 -10.7716 -10.7358 -10.7358 -10.7307 -10.7307 -5.6461 -5.6461 -5.6212 -5.6212 1.0370 1.0370 1.1397 1.1397 2.6488 2.6488 2.7700 2.7700 2.9449 2.9449 3.0969 3.0969 6.0173 6.0173 6.0291 6.0291 6.7442 6.7442 6.9321 6.9321 k = 0.0000 0.3555 0.3181 ( 22334 PWs) bands (ev): -42.1975 -42.1975 -42.1965 -42.1965 -42.1661 -42.1661 -42.1651 -42.1651 -27.3300 -27.3300 -27.3292 -27.3292 -11.0243 -11.0243 -11.0210 -11.0210 -10.7755 -10.7755 -10.7729 -10.7729 -10.7346 -10.7346 -10.7321 -10.7321 -5.6397 -5.6397 -5.6272 -5.6272 1.0583 1.0583 1.1098 1.1098 2.6794 2.6794 2.7408 2.7408 2.9891 2.9891 3.0662 3.0662 6.0104 6.0104 6.0165 6.0165 6.7966 6.7966 6.8976 6.8976 k = 0.0000 0.3555 0.3319 ( 22336 PWs) bands (ev): -42.1971 -42.1971 -42.1970 -42.1970 -42.1657 -42.1657 -42.1655 -42.1655 -27.3296 -27.3296 -27.3296 -27.3296 -11.0226 -11.0226 -11.0226 -11.0226 -10.7742 -10.7742 -10.7742 -10.7742 -10.7334 -10.7334 -10.7334 -10.7334 -5.6334 -5.6334 -5.6334 -5.6334 1.0826 1.0826 1.0826 1.0826 2.7102 2.7102 2.7103 2.7103 3.0300 3.0300 3.0300 3.0300 6.0102 6.0102 6.0102 6.0102 6.8489 6.8489 6.8489 6.8489 k = 0.5000-0.0000 0.3319 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0469 -11.0469 -10.7985 -10.7985 -10.7985 -10.7985 -10.7307 -10.7307 -10.7307 -10.7307 -5.5163 -5.5163 -5.5163 -5.5163 0.9149 0.9149 0.9149 0.9149 2.3946 2.3946 2.3946 2.3946 2.6665 2.6665 2.6665 2.6665 5.5924 5.5924 5.5924 5.5924 6.1497 6.1497 6.1497 6.1497 k = 0.5000-0.0000 0.3181 ( 22362 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0468 -11.0468 -10.7991 -10.7991 -10.7978 -10.7978 -10.7313 -10.7313 -10.7301 -10.7301 -5.5164 -5.5164 -5.5163 -5.5163 0.9158 0.9158 0.9160 0.9160 2.3890 2.3890 2.3976 2.3976 2.6624 2.6624 2.6712 2.6712 5.5919 5.5919 5.5928 5.5928 6.1495 6.1495 6.1506 6.1506 k = 0.5000-0.0000 0.3043 ( 22366 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0466 -11.0466 -10.7997 -10.7997 -10.7970 -10.7970 -10.7320 -10.7320 -10.7297 -10.7297 -5.5166 -5.5166 -5.5165 -5.5165 0.9186 0.9186 0.9190 0.9190 2.3810 2.3810 2.3978 2.3978 2.6589 2.6589 2.6762 2.6762 5.5914 5.5914 5.5932 5.5932 6.1499 6.1499 6.1521 6.1521 k = 0.5000-0.0000 0.2905 ( 22362 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0469 -11.0469 -11.0463 -11.0463 -10.8002 -10.8002 -10.7963 -10.7963 -10.7328 -10.7328 -10.7294 -10.7294 -5.5170 -5.5170 -5.5169 -5.5169 0.9233 0.9233 0.9239 0.9239 2.3711 2.3711 2.3953 2.3953 2.6562 2.6562 2.6813 2.6813 5.5909 5.5909 5.5935 5.5935 6.1511 6.1511 6.1543 6.1543 k = 0.5000-0.0000 0.2766 ( 22384 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0467 -11.0467 -11.0460 -11.0460 -10.8006 -10.8006 -10.7954 -10.7954 -10.7338 -10.7338 -10.7292 -10.7292 -5.5176 -5.5176 -5.5174 -5.5174 0.9298 0.9298 0.9307 0.9307 2.3593 2.3593 2.3901 2.3901 2.6543 2.6543 2.6861 2.6861 5.5905 5.5905 5.5938 5.5938 6.1527 6.1527 6.1569 6.1569 k = 0.5000-0.0000 0.2628 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0465 -11.0465 -11.0456 -11.0456 -10.8010 -10.8010 -10.7946 -10.7946 -10.7347 -10.7347 -10.7291 -10.7291 -5.5183 -5.5183 -5.5180 -5.5180 0.9381 0.9381 0.9393 0.9393 2.3461 2.3461 2.3823 2.3823 2.6531 2.6531 2.6905 2.6905 5.5901 5.5901 5.5940 5.5940 6.1549 6.1549 6.1598 6.1598 k = 0.5000-0.0000 0.2490 ( 22336 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0462 -11.0462 -11.0452 -11.0452 -10.8013 -10.8013 -10.7938 -10.7938 -10.7358 -10.7358 -10.7292 -10.7292 -5.5190 -5.5190 -5.5188 -5.5188 0.9481 0.9481 0.9496 0.9496 2.3317 2.3317 2.3723 2.3723 2.6523 2.6523 2.6942 2.6942 5.5897 5.5897 5.5942 5.5942 6.1574 6.1574 6.1630 6.1630 k = 0.5000-0.0000 0.2351 ( 22330 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0448 -11.0448 -10.8015 -10.8015 -10.7929 -10.7929 -10.7369 -10.7369 -10.7294 -10.7294 -5.5199 -5.5199 -5.5196 -5.5196 0.9598 0.9598 0.9614 0.9614 2.3164 2.3164 2.3602 2.3602 2.6517 2.6517 2.6970 2.6970 5.5895 5.5895 5.5944 5.5944 6.1603 6.1603 6.1665 6.1665 k = 0.5000-0.0000 0.2213 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0455 -11.0455 -11.0443 -11.0443 -10.8016 -10.8016 -10.7920 -10.7920 -10.7380 -10.7380 -10.7296 -10.7296 -5.5209 -5.5209 -5.5206 -5.5206 0.9728 0.9728 0.9748 0.9748 2.3004 2.3004 2.3466 2.3466 2.6512 2.6512 2.6989 2.6989 5.5893 5.5893 5.5945 5.5945 6.1637 6.1637 6.1702 6.1702 k = 0.5000-0.0000 0.2075 ( 22354 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0451 -11.0451 -11.0438 -11.0438 -10.8016 -10.8016 -10.7912 -10.7912 -10.7392 -10.7392 -10.7300 -10.7300 -5.5220 -5.5220 -5.5216 -5.5216 0.9872 0.9872 0.9894 0.9894 2.2839 2.2839 2.3316 2.3316 2.6506 2.6506 2.6997 2.6997 5.5891 5.5891 5.5944 5.5944 6.1676 6.1676 6.1743 6.1743 k = 0.5000-0.0000 0.1936 ( 22342 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0447 -11.0447 -11.0433 -11.0433 -10.8015 -10.8015 -10.7904 -10.7904 -10.7403 -10.7403 -10.7305 -10.7305 -5.5231 -5.5231 -5.5227 -5.5227 1.0027 1.0027 1.0052 1.0052 2.2672 2.2672 2.3156 2.3156 2.6497 2.6497 2.6994 2.6994 5.5887 5.5887 5.5941 5.5941 6.1722 6.1722 6.1789 6.1789 k = 0.5000-0.0000 0.1798 ( 22338 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0442 -11.0442 -11.0427 -11.0427 -10.8013 -10.8013 -10.7897 -10.7897 -10.7414 -10.7414 -10.7311 -10.7311 -5.5242 -5.5242 -5.5239 -5.5239 1.0192 1.0192 1.0219 1.0219 2.2504 2.2504 2.2988 2.2988 2.6486 2.6486 2.6981 2.6981 5.5882 5.5882 5.5934 5.5934 6.1779 6.1779 6.1844 6.1844 k = 0.5000-0.0000 0.1660 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0437 -11.0437 -11.0422 -11.0422 -10.8010 -10.8010 -10.7890 -10.7890 -10.7425 -10.7425 -10.7318 -10.7318 -5.5254 -5.5254 -5.5250 -5.5250 1.0363 1.0363 1.0393 1.0393 2.2337 2.2337 2.2814 2.2814 2.6471 2.6471 2.6958 2.6958 5.5873 5.5873 5.5923 5.5923 6.1849 6.1849 6.1911 6.1911 k = 0.5000-0.0000 0.1521 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0432 -11.0432 -11.0417 -11.0417 -10.8006 -10.8006 -10.7884 -10.7884 -10.7434 -10.7434 -10.7326 -10.7326 -5.5266 -5.5266 -5.5262 -5.5262 1.0540 1.0540 1.0572 1.0572 2.2173 2.2173 2.2638 2.2638 2.6454 2.6454 2.6926 2.6926 5.5861 5.5861 5.5908 5.5908 6.1935 6.1935 6.1993 6.1993 k = 0.5000-0.0000 0.1383 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0427 -11.0427 -11.0412 -11.0412 -10.8001 -10.8001 -10.7879 -10.7879 -10.7443 -10.7443 -10.7334 -10.7334 -5.5277 -5.5277 -5.5273 -5.5273 1.0718 1.0718 1.0752 1.0752 2.2015 2.2015 2.2461 2.2461 2.6435 2.6435 2.6886 2.6886 5.5844 5.5844 5.5887 5.5887 6.2040 6.2040 6.2093 6.2093 k = 0.5000-0.0000 0.1245 ( 22334 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0421 -11.0421 -11.0408 -11.0408 -10.7996 -10.7996 -10.7876 -10.7876 -10.7450 -10.7450 -10.7344 -10.7344 -5.5288 -5.5288 -5.5284 -5.5284 1.0895 1.0895 1.0930 1.0930 2.1865 2.1865 2.2286 2.2286 2.6415 2.6415 2.6839 2.6839 5.5822 5.5822 5.5861 5.5861 6.2165 6.2165 6.2213 6.2213 k = 0.5000-0.0000 0.1106 ( 22322 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0416 -11.0416 -11.0403 -11.0403 -10.7989 -10.7989 -10.7874 -10.7874 -10.7456 -10.7456 -10.7353 -10.7353 -5.5298 -5.5298 -5.5295 -5.5295 1.1068 1.1068 1.1103 1.1103 2.1723 2.1723 2.2115 2.2115 2.6396 2.6396 2.6787 2.6787 5.5797 5.5797 5.5831 5.5831 6.2311 6.2311 6.2353 6.2353 k = 0.5000-0.0000 0.0968 ( 22316 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0411 -11.0411 -11.0399 -11.0399 -10.7982 -10.7982 -10.7874 -10.7874 -10.7460 -10.7460 -10.7364 -10.7364 -5.5308 -5.5308 -5.5305 -5.5305 1.1234 1.1234 1.1268 1.1268 2.1594 2.1594 2.1951 2.1951 2.6378 2.6378 2.6731 2.6731 5.5769 5.5769 5.5798 5.5798 6.2476 6.2476 6.2512 6.2512 k = 0.5000-0.0000 0.0830 ( 22296 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0407 -11.0407 -11.0396 -11.0396 -10.7973 -10.7973 -10.7876 -10.7876 -10.7462 -10.7462 -10.7374 -10.7374 -5.5316 -5.5316 -5.5313 -5.5313 1.1388 1.1388 1.1421 1.1421 2.1480 2.1480 2.1797 2.1797 2.6363 2.6363 2.6675 2.6675 5.5739 5.5739 5.5764 5.5764 6.2656 6.2656 6.2686 6.2686 k = 0.5000-0.0000 0.0692 ( 22292 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0403 -11.0403 -11.0394 -11.0394 -10.7964 -10.7964 -10.7879 -10.7879 -10.7462 -10.7462 -10.7385 -10.7385 -5.5324 -5.5324 -5.5321 -5.5321 1.1528 1.1528 1.1558 1.1558 2.1382 2.1382 2.1654 2.1654 2.6352 2.6352 2.6618 2.6618 5.5710 5.5710 5.5730 5.5730 6.2844 6.2844 6.2869 6.2869 k = 0.5000-0.0000 0.0553 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0399 -11.0399 -11.0391 -11.0391 -10.7955 -10.7955 -10.7884 -10.7884 -10.7460 -10.7460 -10.7396 -10.7396 -5.5330 -5.5330 -5.5328 -5.5328 1.1649 1.1649 1.1675 1.1675 2.1304 2.1304 2.1527 2.1527 2.6347 2.6347 2.6564 2.6564 5.5683 5.5683 5.5699 5.5699 6.3031 6.3031 6.3050 6.3050 k = 0.5000-0.0000 0.0415 ( 22320 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0396 -11.0396 -11.0390 -11.0390 -10.7945 -10.7945 -10.7890 -10.7890 -10.7457 -10.7457 -10.7407 -10.7407 -5.5335 -5.5335 -5.5333 -5.5333 1.1748 1.1748 1.1769 1.1769 2.1247 2.1247 2.1418 2.1418 2.6348 2.6348 2.6514 2.6514 5.5660 5.5660 5.5672 5.5672 6.3204 6.3204 6.3218 6.3218 k = 0.5000-0.0000 0.0277 ( 22302 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0393 -11.0393 -11.0389 -11.0389 -10.7935 -10.7935 -10.7897 -10.7897 -10.7451 -10.7451 -10.7417 -10.7417 -5.5338 -5.5338 -5.5337 -5.5337 1.1822 1.1822 1.1837 1.1837 2.1213 2.1213 2.1329 2.1329 2.6357 2.6357 2.6469 2.6469 5.5643 5.5643 5.5651 5.5651 6.3347 6.3347 6.3357 6.3357 k = 0.5000-0.0000 0.0138 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0391 -11.0391 -11.0389 -11.0389 -10.7925 -10.7925 -10.7906 -10.7906 -10.7444 -10.7444 -10.7427 -10.7427 -5.5340 -5.5340 -5.5340 -5.5340 1.1870 1.1870 1.1877 1.1877 2.1205 2.1205 2.1263 2.1263 2.6374 2.6374 2.6430 2.6430 5.5633 5.5633 5.5637 5.5637 6.3443 6.3443 6.3448 6.3448 k = 0.5000-0.0000-0.0000 ( 22300 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0390 -11.0390 -11.0390 -11.0390 -10.7915 -10.7915 -10.7915 -10.7915 -10.7436 -10.7436 -10.7436 -10.7436 -5.5341 -5.5341 -5.5341 -5.5341 1.1888 1.1888 1.1888 1.1888 2.1221 2.1221 2.1221 2.1221 2.6398 2.6398 2.6398 2.6398 5.5631 5.5631 5.5631 5.5631 6.3479 6.3479 6.3479 6.3479 k = 0.5000 0.3555-0.0000 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0386 -11.0386 -11.0386 -11.0386 -10.7909 -10.7909 -10.7909 -10.7909 -10.7444 -10.7444 -10.7444 -10.7444 -5.5457 -5.5457 -5.5457 -5.5457 1.3255 1.3255 1.3255 1.3255 2.1542 2.1542 2.1542 2.1542 2.5999 2.5999 2.5999 2.5999 5.1795 5.1795 5.1795 5.1795 6.0190 6.0190 6.0190 6.0190 k = 0.5000 0.3555 0.0138 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0387 -11.0387 -11.0385 -11.0385 -10.7919 -10.7919 -10.7899 -10.7899 -10.7452 -10.7452 -10.7434 -10.7434 -5.5457 -5.5457 -5.5456 -5.5456 1.3246 1.3246 1.3256 1.3256 2.1483 2.1483 2.1581 2.1581 2.5953 2.5953 2.6058 2.6058 5.1801 5.1801 5.1817 5.1817 6.0209 6.0209 6.0219 6.0219 k = 0.5000 0.3555 0.0277 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0389 -11.0389 -11.0385 -11.0385 -10.7930 -10.7930 -10.7890 -10.7890 -10.7460 -10.7460 -10.7424 -10.7424 -5.5455 -5.5455 -5.5454 -5.5454 1.3230 1.3230 1.3250 1.3250 2.1405 2.1405 2.1598 2.1598 2.5921 2.5921 2.6127 2.6127 5.1837 5.1837 5.1869 5.1869 6.0275 6.0275 6.0294 6.0294 k = 0.5000 0.3555 0.0415 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0392 -11.0392 -11.0386 -11.0386 -10.7940 -10.7940 -10.7882 -10.7882 -10.7466 -10.7466 -10.7413 -10.7413 -5.5452 -5.5452 -5.5450 -5.5450 1.3207 1.3207 1.3235 1.3235 2.1315 2.1315 2.1594 2.1594 2.5903 2.5903 2.6201 2.6201 5.1904 5.1904 5.1950 5.1950 6.0386 6.0386 6.0415 6.0415 k = 0.5000 0.3555 0.0553 ( 22368 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0395 -11.0395 -11.0387 -11.0387 -10.7951 -10.7951 -10.7875 -10.7875 -10.7471 -10.7471 -10.7402 -10.7402 -5.5447 -5.5447 -5.5445 -5.5445 1.3176 1.3176 1.3213 1.3213 2.1216 2.1216 2.1571 2.1571 2.5896 2.5896 2.6276 2.6276 5.2004 5.2004 5.2063 5.2063 6.0541 6.0541 6.0581 6.0581 k = 0.5000 0.3555 0.0692 ( 22368 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0398 -11.0398 -11.0389 -11.0389 -10.7960 -10.7960 -10.7869 -10.7869 -10.7473 -10.7473 -10.7391 -10.7391 -5.5441 -5.5441 -5.5439 -5.5439 1.3138 1.3138 1.3182 1.3182 2.1114 2.1114 2.1533 2.1533 2.5897 2.5897 2.6346 2.6346 5.2139 5.2139 5.2208 5.2208 6.0736 6.0736 6.0787 6.0787 k = 0.5000 0.3555 0.0830 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0402 -11.0402 -11.0391 -11.0391 -10.7969 -10.7969 -10.7865 -10.7865 -10.7474 -10.7474 -10.7381 -10.7381 -5.5434 -5.5434 -5.5431 -5.5431 1.3092 1.3092 1.3143 1.3143 2.1013 2.1013 2.1485 2.1485 2.5902 2.5902 2.6407 2.6407 5.2312 5.2312 5.2389 5.2389 6.0970 6.0970 6.1031 6.1031 k = 0.5000 0.3555 0.0968 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0406 -11.0406 -11.0394 -11.0394 -10.7978 -10.7978 -10.7863 -10.7863 -10.7473 -10.7473 -10.7370 -10.7370 -5.5426 -5.5426 -5.5423 -5.5423 1.3040 1.3040 1.3096 1.3096 2.0919 2.0919 2.1432 2.1432 2.5906 2.5906 2.6456 2.6456 5.2523 5.2523 5.2607 5.2607 6.1237 6.1237 6.1311 6.1311 k = 0.5000 0.3555 0.1106 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0411 -11.0411 -11.0397 -11.0397 -10.7986 -10.7986 -10.7863 -10.7863 -10.7470 -10.7470 -10.7360 -10.7360 -5.5417 -5.5417 -5.5414 -5.5414 1.2982 1.2982 1.3041 1.3041 2.0834 2.0834 2.1377 2.1377 2.5904 2.5904 2.6488 2.6488 5.2776 5.2776 5.2862 5.2862 6.1535 6.1535 6.1622 6.1622 k = 0.5000 0.3555 0.1245 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0416 -11.0416 -11.0401 -11.0401 -10.7992 -10.7992 -10.7865 -10.7865 -10.7465 -10.7465 -10.7351 -10.7351 -5.5407 -5.5407 -5.5404 -5.5404 1.2918 1.2918 1.2979 1.2979 2.0763 2.0763 2.1327 2.1327 2.5895 2.5895 2.6501 2.6501 5.3070 5.3070 5.3156 5.3156 6.1861 6.1861 6.1960 6.1960 k = 0.5000 0.3555 0.1383 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0420 -11.0420 -11.0405 -11.0405 -10.7998 -10.7998 -10.7868 -10.7868 -10.7458 -10.7458 -10.7342 -10.7342 -5.5397 -5.5397 -5.5393 -5.5393 1.2848 1.2848 1.2911 1.2911 2.0707 2.0707 2.1283 2.1283 2.5875 2.5875 2.6494 2.6494 5.3405 5.3405 5.3489 5.3489 6.2209 6.2209 6.2322 6.2322 k = 0.5000 0.3555 0.1521 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0425 -11.0425 -11.0410 -11.0410 -10.8003 -10.8003 -10.7873 -10.7873 -10.7450 -10.7450 -10.7334 -10.7334 -5.5386 -5.5386 -5.5382 -5.5382 1.2775 1.2775 1.2837 1.2837 2.0667 2.0667 2.1248 2.1248 2.5844 2.5844 2.6468 2.6468 5.3779 5.3779 5.3858 5.3858 6.2577 6.2577 6.2703 6.2703 k = 0.5000 0.3555 0.1660 ( 22356 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0430 -11.0430 -11.0415 -11.0415 -10.8007 -10.8007 -10.7879 -10.7879 -10.7441 -10.7441 -10.7326 -10.7326 -5.5375 -5.5375 -5.5371 -5.5371 1.2699 1.2699 1.2760 1.2760 2.0646 2.0646 2.1223 2.1223 2.5800 2.5800 2.6421 2.6421 5.4191 5.4191 5.4263 5.4263 6.2959 6.2959 6.3100 6.3100 k = 0.5000 0.3555 0.1798 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0435 -11.0435 -11.0419 -11.0419 -10.8010 -10.8010 -10.7885 -10.7885 -10.7430 -10.7430 -10.7320 -10.7320 -5.5364 -5.5364 -5.5360 -5.5360 1.2621 1.2621 1.2679 1.2679 2.0641 2.0641 2.1209 2.1209 2.5746 2.5746 2.6356 2.6356 5.4635 5.4635 5.4699 5.4699 6.3351 6.3351 6.3506 6.3506 k = 0.5000 0.3555 0.1936 ( 22364 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0439 -11.0439 -11.0424 -11.0424 -10.8011 -10.8011 -10.7893 -10.7893 -10.7419 -10.7419 -10.7315 -10.7315 -5.5353 -5.5353 -5.5349 -5.5349 1.2543 1.2543 1.2598 1.2598 2.0654 2.0654 2.1205 2.1205 2.5681 2.5681 2.6274 2.6274 5.5108 5.5108 5.5160 5.5160 6.3747 6.3747 6.3916 6.3916 k = 0.5000 0.3555 0.2075 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0443 -11.0443 -11.0429 -11.0429 -10.8012 -10.8012 -10.7902 -10.7902 -10.7408 -10.7408 -10.7310 -10.7310 -5.5343 -5.5343 -5.5339 -5.5339 1.2467 1.2467 1.2517 1.2517 2.0682 2.0682 2.1210 2.1210 2.5610 2.5610 2.6177 2.6177 5.5601 5.5601 5.5642 5.5642 6.4140 6.4140 6.4322 6.4322 k = 0.5000 0.3555 0.2213 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0447 -11.0447 -11.0434 -11.0434 -10.8012 -10.8012 -10.7910 -10.7910 -10.7397 -10.7397 -10.7307 -10.7307 -5.5333 -5.5333 -5.5329 -5.5329 1.2394 1.2394 1.2439 1.2439 2.0724 2.0724 2.1223 2.1223 2.5535 2.5535 2.6070 2.6070 5.6105 5.6105 5.6135 5.6135 6.4523 6.4523 6.4716 6.4716 k = 0.5000 0.3555 0.2351 ( 22348 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1719 -42.1719 -42.1719 -42.1719 -27.3268 -27.3268 -27.3268 -27.3268 -11.0450 -11.0450 -11.0438 -11.0438 -10.8011 -10.8011 -10.7919 -10.7919 -10.7385 -10.7385 -10.7305 -10.7305 -5.5323 -5.5323 -5.5320 -5.5320 1.2325 1.2325 1.2365 1.2365 2.0778 2.0778 2.1240 2.1240 2.5461 2.5461 2.5956 2.5956 5.6612 5.6612 5.6630 5.6630 6.4886 6.4886 6.5087 6.5087 k = 0.5000 0.3555 0.2490 ( 22336 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0453 -11.0453 -11.0443 -11.0443 -10.8009 -10.8009 -10.7928 -10.7928 -10.7374 -10.7374 -10.7304 -10.7304 -5.5315 -5.5315 -5.5312 -5.5312 1.2263 1.2263 1.2297 1.2297 2.0840 2.0840 2.1258 2.1258 2.5390 2.5390 2.5837 2.5837 5.7107 5.7107 5.7114 5.7114 6.5218 6.5218 6.5422 6.5422 k = 0.5000 0.3555 0.2628 ( 22340 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0456 -11.0456 -11.0446 -11.0446 -10.8006 -10.8006 -10.7937 -10.7937 -10.7364 -10.7364 -10.7304 -10.7304 -5.5307 -5.5307 -5.5305 -5.5305 1.2208 1.2208 1.2237 1.2237 2.0908 2.0908 2.1274 2.1274 2.5328 2.5328 2.5719 2.5719 5.7574 5.7574 5.7575 5.7575 6.5510 6.5510 6.5708 6.5708 k = 0.5000 0.3555 0.2766 ( 22344 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0457 -11.0457 -11.0450 -11.0450 -10.8002 -10.8002 -10.7946 -10.7946 -10.7354 -10.7354 -10.7305 -10.7305 -5.5301 -5.5301 -5.5299 -5.5299 1.2162 1.2162 1.2185 1.2185 2.0979 2.0979 2.1285 2.1285 2.5279 2.5279 2.5605 2.5605 5.7991 5.7991 5.7999 5.7999 6.5752 6.5752 6.5934 6.5934 k = 0.5000 0.3555 0.2905 ( 22332 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0453 -11.0453 -10.7997 -10.7997 -10.7955 -10.7955 -10.7344 -10.7344 -10.7307 -10.7307 -5.5296 -5.5296 -5.5294 -5.5294 1.2125 1.2125 1.2143 1.2143 2.1049 2.1049 2.1287 2.1287 2.5247 2.5247 2.5500 2.5500 5.8347 5.8347 5.8358 5.8358 6.5941 6.5941 6.6094 6.6094 k = 0.5000 0.3555 0.3043 ( 22332 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0455 -11.0455 -10.7991 -10.7991 -10.7963 -10.7963 -10.7336 -10.7336 -10.7311 -10.7311 -5.5292 -5.5292 -5.5291 -5.5291 1.2100 1.2100 1.2111 1.2111 2.1115 2.1115 2.1278 2.1278 2.5235 2.5235 2.5409 2.5409 5.8623 5.8623 5.8633 5.8633 6.6078 6.6078 6.6189 6.6189 k = 0.5000 0.3555 0.3181 ( 22320 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0459 -11.0459 -11.0457 -11.0457 -10.7985 -10.7985 -10.7971 -10.7971 -10.7328 -10.7328 -10.7316 -10.7316 -5.5289 -5.5289 -5.5289 -5.5289 1.2085 1.2085 1.2091 1.2091 2.1173 2.1173 2.1256 2.1256 2.5246 2.5246 2.5334 2.5334 5.8799 5.8799 5.8805 5.8805 6.6169 6.6169 6.6227 6.6227 k = 0.5000 0.3555 0.3319 ( 22352 PWs) bands (ev): -42.1906 -42.1906 -42.1906 -42.1906 -42.1720 -42.1720 -42.1720 -42.1720 -27.3268 -27.3268 -27.3268 -27.3268 -11.0458 -11.0458 -11.0458 -11.0458 -10.7979 -10.7979 -10.7979 -10.7979 -10.7321 -10.7321 -10.7321 -10.7321 -5.5288 -5.5288 -5.5288 -5.5288 1.2082 1.2082 1.2082 1.2082 2.1221 2.1221 2.1221 2.1221 2.5279 2.5279 2.5279 2.5279 5.8862 5.8862 5.8862 5.8862 6.6218 6.6218 6.6218 6.6218 Writing output data file KLi2As.save init_run : 0.44s CPU 0.58s WALL ( 1 calls) electrons : 459.68s CPU 463.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 459.67s CPU 463.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.43s WALL ( 356 calls) cegterg : 392.72s CPU 395.19s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 306.07s CPU 308.32s WALL ( 7590 calls) s_psi : 14.20s CPU 14.12s WALL ( 7590 calls) g_psi : 1.23s CPU 1.20s WALL ( 6760 calls) cdiaghg : 50.34s CPU 50.55s WALL ( 7116 calls) cegterg:over : 23.87s CPU 23.96s WALL ( 6760 calls) cegterg:upda : 25.82s CPU 26.02s WALL ( 6760 calls) cegterg:last : 13.47s CPU 13.48s WALL ( 1186 calls) cdiaghg:chol : 3.06s CPU 2.97s WALL ( 7116 calls) cdiaghg:inve : 1.98s CPU 1.91s WALL ( 7116 calls) cdiaghg:para : 3.06s CPU 2.98s WALL ( 14232 calls) Called by h_psi: h_psi:vloc : 274.24s CPU 276.38s WALL ( 7590 calls) h_psi:vnl : 30.27s CPU 30.47s WALL ( 7590 calls) add_vuspsi : 14.53s CPU 14.45s WALL ( 7590 calls) General routines calbec : 15.70s CPU 15.99s WALL ( 7590 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 258.70s CPU 260.65s WALL ( 807404 calls) davcio : 0.44s CPU 1.08s WALL ( 712 calls) Parallel routines fft_scatter : 71.83s CPU 72.23s WALL ( 807419 calls) PWSCF : 8m31.99s CPU 8m56.66s WALL This run was terminated on: 13:18:19 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=