Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:29:36 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: ./NaAlSi.save/ 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 43 36 10 2321 1742 268 Max 44 37 11 2330 1769 273 Sum 1581 1305 373 83739 63065 9763 bravais-lattice index = 14 lattice parameter (alat) = 7.8140 a.u. unit-cell volume = 851.4223 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.814017 celldm(2)= 1.000000 celldm(3)= 1.784522 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.784522 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.560374 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 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 1121 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 Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Na 9.00 22.98980 Na( 1.00) Al 3.00 26.98150 Al( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found (note: 12 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 [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0029851 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0029851 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0029851 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0029851 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0029851 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0029851 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0029851 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0029851 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0029851 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0029851 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0029851 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0029851 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0029851 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0029851 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0029851 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0029851 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0029851 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029851 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0029851 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0029851 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0029851 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0029851 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0029851 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0029851 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0029851 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0029851 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0029851 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0029851 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0029851 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0029851 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0029851 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0029851 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0029851 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0029851 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0029851 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0029851 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0029851 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0029851 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0029851 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0029851 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0029851 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0029851 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0029851 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0029851 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0029851 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0029851 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0029851 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0029851 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0029851 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0029851 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0029851 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0029851 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0029851 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0029851 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029851 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0029851 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0029851 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0029851 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0029851 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029851 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0029851 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0029851 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0029851 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0029851 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0029851 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0029851 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0029851 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0029851 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0029851 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0029851 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0029851 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0029851 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0029851 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0029851 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0029851 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0029851 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029851 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0029851 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0029851 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0029851 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0029851 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0029851 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029851 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029851 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0029851 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0029851 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0029851 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029851 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029851 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029851 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029851 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0029851 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029851 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0029851 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029851 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0029851 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029851 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029851 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029851 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0029851 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029851 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0029851 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029851 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0029851 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029851 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0029851 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029851 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029851 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0029851 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029851 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029851 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0029851 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029851 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0029851 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029851 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029851 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029851 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0029851 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029851 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0029851 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029851 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0029851 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0029851 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 135) = ( 0.0000000 0.0000000 0.0127358), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.0254715), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0382073), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0509431), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.0636789), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.0764146), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.0891504), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.1018862), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.1146220), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.1273577), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.1400935), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.1528293), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.1655651), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.1783008), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.1910366), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.2037724), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.2165082), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.2292439), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.2419797), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.2547155), wk = 0.0029851 k( 155) = ( 0.0000000 0.0000000 0.2674512), wk = 0.0029851 k( 156) = ( 0.0000000 0.0000000 0.2801870), wk = 0.0029851 k( 157) = ( 0.0000000 0.0000000 0.2801870), wk = 0.0029851 k( 158) = ( 0.0000000 0.0131579 0.2801870), wk = 0.0029851 k( 159) = ( 0.0000000 0.0263158 0.2801870), wk = 0.0029851 k( 160) = ( 0.0000000 0.0394737 0.2801870), wk = 0.0029851 k( 161) = ( 0.0000000 0.0526316 0.2801870), wk = 0.0029851 k( 162) = ( 0.0000000 0.0657895 0.2801870), wk = 0.0029851 k( 163) = ( 0.0000000 0.0789474 0.2801870), wk = 0.0029851 k( 164) = ( 0.0000000 0.0921053 0.2801870), wk = 0.0029851 k( 165) = ( 0.0000000 0.1052632 0.2801870), wk = 0.0029851 k( 166) = ( 0.0000000 0.1184210 0.2801870), wk = 0.0029851 k( 167) = ( 0.0000000 0.1315790 0.2801870), wk = 0.0029851 k( 168) = ( 0.0000000 0.1447368 0.2801870), wk = 0.0029851 k( 169) = ( 0.0000000 0.1578947 0.2801870), wk = 0.0029851 k( 170) = ( 0.0000000 0.1710526 0.2801870), wk = 0.0029851 k( 171) = ( 0.0000000 0.1842105 0.2801870), wk = 0.0029851 k( 172) = ( 0.0000000 0.1973684 0.2801870), wk = 0.0029851 k( 173) = ( 0.0000000 0.2105263 0.2801870), wk = 0.0029851 k( 174) = ( 0.0000000 0.2236842 0.2801870), wk = 0.0029851 k( 175) = ( 0.0000000 0.2368421 0.2801870), wk = 0.0029851 k( 176) = ( 0.0000000 0.2500000 0.2801870), wk = 0.0029851 k( 177) = ( 0.0000000 0.2631579 0.2801870), wk = 0.0029851 k( 178) = ( 0.0000000 0.2763158 0.2801870), wk = 0.0029851 k( 179) = ( 0.0000000 0.2894737 0.2801870), wk = 0.0029851 k( 180) = ( 0.0000000 0.3026316 0.2801870), wk = 0.0029851 k( 181) = ( 0.0000000 0.3157895 0.2801870), wk = 0.0029851 k( 182) = ( 0.0000000 0.3289474 0.2801870), wk = 0.0029851 k( 183) = ( 0.0000000 0.3421053 0.2801870), wk = 0.0029851 k( 184) = ( 0.0000000 0.3552632 0.2801870), wk = 0.0029851 k( 185) = ( 0.0000000 0.3684211 0.2801870), wk = 0.0029851 k( 186) = ( 0.0000000 0.3815789 0.2801870), wk = 0.0029851 k( 187) = ( 0.0000000 0.3947368 0.2801870), wk = 0.0029851 k( 188) = ( 0.0000000 0.4078947 0.2801870), wk = 0.0029851 k( 189) = ( 0.0000000 0.4210526 0.2801870), wk = 0.0029851 k( 190) = ( 0.0000000 0.4342105 0.2801870), wk = 0.0029851 k( 191) = ( 0.0000000 0.4473684 0.2801870), wk = 0.0029851 k( 192) = ( 0.0000000 0.4605263 0.2801870), wk = 0.0029851 k( 193) = ( 0.0000000 0.4736842 0.2801870), wk = 0.0029851 k( 194) = ( 0.0000000 0.4868421 0.2801870), wk = 0.0029851 k( 195) = ( 0.0000000 0.5000000 0.2801870), wk = 0.0029851 k( 196) = ( 0.0000000 0.5000000 0.2801870), wk = 0.0029851 k( 197) = ( 0.0131579 0.5000000 0.2801870), wk = 0.0029851 k( 198) = ( 0.0263158 0.5000000 0.2801870), wk = 0.0029851 k( 199) = ( 0.0394737 0.5000000 0.2801870), wk = 0.0029851 k( 200) = ( 0.0526316 0.5000000 0.2801870), wk = 0.0029851 k( 201) = ( 0.0657895 0.5000000 0.2801870), wk = 0.0029851 k( 202) = ( 0.0789474 0.5000000 0.2801870), wk = 0.0029851 k( 203) = ( 0.0921053 0.5000000 0.2801870), wk = 0.0029851 k( 204) = ( 0.1052632 0.5000000 0.2801870), wk = 0.0029851 k( 205) = ( 0.1184210 0.5000000 0.2801870), wk = 0.0029851 k( 206) = ( 0.1315790 0.5000000 0.2801870), wk = 0.0029851 k( 207) = ( 0.1447368 0.5000000 0.2801870), wk = 0.0029851 k( 208) = ( 0.1578947 0.5000000 0.2801870), wk = 0.0029851 k( 209) = ( 0.1710526 0.5000000 0.2801870), wk = 0.0029851 k( 210) = ( 0.1842105 0.5000000 0.2801870), wk = 0.0029851 k( 211) = ( 0.1973684 0.5000000 0.2801870), wk = 0.0029851 k( 212) = ( 0.2105263 0.5000000 0.2801870), wk = 0.0029851 k( 213) = ( 0.2236842 0.5000000 0.2801870), wk = 0.0029851 k( 214) = ( 0.2368421 0.5000000 0.2801870), wk = 0.0029851 k( 215) = ( 0.2500000 0.5000000 0.2801870), wk = 0.0029851 k( 216) = ( 0.2631579 0.5000000 0.2801870), wk = 0.0029851 k( 217) = ( 0.2763158 0.5000000 0.2801870), wk = 0.0029851 k( 218) = ( 0.2894737 0.5000000 0.2801870), wk = 0.0029851 k( 219) = ( 0.3026316 0.5000000 0.2801870), wk = 0.0029851 k( 220) = ( 0.3157895 0.5000000 0.2801870), wk = 0.0029851 k( 221) = ( 0.3289474 0.5000000 0.2801870), wk = 0.0029851 k( 222) = ( 0.3421053 0.5000000 0.2801870), wk = 0.0029851 k( 223) = ( 0.3552632 0.5000000 0.2801870), wk = 0.0029851 k( 224) = ( 0.3684211 0.5000000 0.2801870), wk = 0.0029851 k( 225) = ( 0.3815789 0.5000000 0.2801870), wk = 0.0029851 k( 226) = ( 0.3947368 0.5000000 0.2801870), wk = 0.0029851 k( 227) = ( 0.4078947 0.5000000 0.2801870), wk = 0.0029851 k( 228) = ( 0.4210526 0.5000000 0.2801870), wk = 0.0029851 k( 229) = ( 0.4342105 0.5000000 0.2801870), wk = 0.0029851 k( 230) = ( 0.4473684 0.5000000 0.2801870), wk = 0.0029851 k( 231) = ( 0.4605263 0.5000000 0.2801870), wk = 0.0029851 k( 232) = ( 0.4736842 0.5000000 0.2801870), wk = 0.0029851 k( 233) = ( 0.4868421 0.5000000 0.2801870), wk = 0.0029851 k( 234) = ( 0.5000000 0.5000000 0.2801870), wk = 0.0029851 k( 235) = ( 0.5000000 0.5000000 0.2801870), wk = 0.0029851 k( 236) = ( 0.4907407 0.4907407 0.2801870), wk = 0.0029851 k( 237) = ( 0.4814815 0.4814815 0.2801870), wk = 0.0029851 k( 238) = ( 0.4722222 0.4722222 0.2801870), wk = 0.0029851 k( 239) = ( 0.4629630 0.4629630 0.2801870), wk = 0.0029851 k( 240) = ( 0.4537037 0.4537037 0.2801870), wk = 0.0029851 k( 241) = ( 0.4444444 0.4444444 0.2801870), wk = 0.0029851 k( 242) = ( 0.4351852 0.4351852 0.2801870), wk = 0.0029851 k( 243) = ( 0.4259259 0.4259259 0.2801870), wk = 0.0029851 k( 244) = ( 0.4166667 0.4166667 0.2801870), wk = 0.0029851 k( 245) = ( 0.4074074 0.4074074 0.2801870), wk = 0.0029851 k( 246) = ( 0.3981481 0.3981481 0.2801870), wk = 0.0029851 k( 247) = ( 0.3888889 0.3888889 0.2801870), wk = 0.0029851 k( 248) = ( 0.3796296 0.3796296 0.2801870), wk = 0.0029851 k( 249) = ( 0.3703704 0.3703704 0.2801870), wk = 0.0029851 k( 250) = ( 0.3611111 0.3611111 0.2801870), wk = 0.0029851 k( 251) = ( 0.3518519 0.3518518 0.2801870), wk = 0.0029851 k( 252) = ( 0.3425926 0.3425926 0.2801870), wk = 0.0029851 k( 253) = ( 0.3333333 0.3333333 0.2801870), wk = 0.0029851 k( 254) = ( 0.3240741 0.3240741 0.2801870), wk = 0.0029851 k( 255) = ( 0.3148148 0.3148148 0.2801870), wk = 0.0029851 k( 256) = ( 0.3055556 0.3055556 0.2801870), wk = 0.0029851 k( 257) = ( 0.2962963 0.2962963 0.2801870), wk = 0.0029851 k( 258) = ( 0.2870370 0.2870370 0.2801870), wk = 0.0029851 k( 259) = ( 0.2777778 0.2777778 0.2801870), wk = 0.0029851 k( 260) = ( 0.2685185 0.2685185 0.2801870), wk = 0.0029851 k( 261) = ( 0.2592593 0.2592593 0.2801870), wk = 0.0029851 k( 262) = ( 0.2500000 0.2500000 0.2801870), wk = 0.0029851 k( 263) = ( 0.2407407 0.2407407 0.2801870), wk = 0.0029851 k( 264) = ( 0.2314815 0.2314815 0.2801870), wk = 0.0029851 k( 265) = ( 0.2222222 0.2222222 0.2801870), wk = 0.0029851 k( 266) = ( 0.2129630 0.2129630 0.2801870), wk = 0.0029851 k( 267) = ( 0.2037037 0.2037037 0.2801870), wk = 0.0029851 k( 268) = ( 0.1944444 0.1944444 0.2801870), wk = 0.0029851 k( 269) = ( 0.1851852 0.1851852 0.2801870), wk = 0.0029851 k( 270) = ( 0.1759259 0.1759259 0.2801870), wk = 0.0029851 k( 271) = ( 0.1666667 0.1666667 0.2801870), wk = 0.0029851 k( 272) = ( 0.1574074 0.1574074 0.2801870), wk = 0.0029851 k( 273) = ( 0.1481482 0.1481481 0.2801870), wk = 0.0029851 k( 274) = ( 0.1388889 0.1388889 0.2801870), wk = 0.0029851 k( 275) = ( 0.1296296 0.1296296 0.2801870), wk = 0.0029851 k( 276) = ( 0.1203704 0.1203704 0.2801870), wk = 0.0029851 k( 277) = ( 0.1111111 0.1111111 0.2801870), wk = 0.0029851 k( 278) = ( 0.1018518 0.1018518 0.2801870), wk = 0.0029851 k( 279) = ( 0.0925926 0.0925926 0.2801870), wk = 0.0029851 k( 280) = ( 0.0833333 0.0833333 0.2801870), wk = 0.0029851 k( 281) = ( 0.0740741 0.0740741 0.2801870), wk = 0.0029851 k( 282) = ( 0.0648148 0.0648148 0.2801870), wk = 0.0029851 k( 283) = ( 0.0555556 0.0555556 0.2801870), wk = 0.0029851 k( 284) = ( 0.0462963 0.0462963 0.2801870), wk = 0.0029851 k( 285) = ( 0.0370370 0.0370370 0.2801870), wk = 0.0029851 k( 286) = ( 0.0277778 0.0277778 0.2801870), wk = 0.0029851 k( 287) = ( 0.0185185 0.0185185 0.2801870), wk = 0.0029851 k( 288) = ( 0.0092593 0.0092593 0.2801870), wk = 0.0029851 k( 289) = ( 0.0000000 0.0000000 0.2801870), wk = 0.0029851 k( 290) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 291) = ( 0.0000000 0.5000000 0.0127358), wk = 0.0029851 k( 292) = ( 0.0000000 0.5000000 0.0254715), wk = 0.0029851 k( 293) = ( 0.0000000 0.5000000 0.0382073), wk = 0.0029851 k( 294) = ( 0.0000000 0.5000000 0.0509431), wk = 0.0029851 k( 295) = ( 0.0000000 0.5000000 0.0636789), wk = 0.0029851 k( 296) = ( 0.0000000 0.5000000 0.0764146), wk = 0.0029851 k( 297) = ( 0.0000000 0.5000000 0.0891504), wk = 0.0029851 k( 298) = ( 0.0000000 0.5000000 0.1018862), wk = 0.0029851 k( 299) = ( 0.0000000 0.5000000 0.1146220), wk = 0.0029851 k( 300) = ( 0.0000000 0.5000000 0.1273577), wk = 0.0029851 k( 301) = ( 0.0000000 0.5000000 0.1400935), wk = 0.0029851 k( 302) = ( 0.0000000 0.5000000 0.1528293), wk = 0.0029851 k( 303) = ( 0.0000000 0.5000000 0.1655651), wk = 0.0029851 k( 304) = ( 0.0000000 0.5000000 0.1783008), wk = 0.0029851 k( 305) = ( 0.0000000 0.5000000 0.1910366), wk = 0.0029851 k( 306) = ( 0.0000000 0.5000000 0.2037724), wk = 0.0029851 k( 307) = ( 0.0000000 0.5000000 0.2165082), wk = 0.0029851 k( 308) = ( 0.0000000 0.5000000 0.2292439), wk = 0.0029851 k( 309) = ( 0.0000000 0.5000000 0.2419797), wk = 0.0029851 k( 310) = ( 0.0000000 0.5000000 0.2547155), wk = 0.0029851 k( 311) = ( 0.0000000 0.5000000 0.2674512), wk = 0.0029851 k( 312) = ( 0.0000000 0.5000000 0.2801870), wk = 0.0029851 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 314) = ( 0.5000000 0.5000000 0.0127358), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 0.0254715), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 0.0382073), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 0.0509431), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 0.0636789), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 0.0764146), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 0.0891504), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 0.1018862), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 0.1146220), wk = 0.0029851 k( 323) = ( 0.5000000 0.5000000 0.1273577), wk = 0.0029851 k( 324) = ( 0.5000000 0.5000000 0.1400935), wk = 0.0029851 k( 325) = ( 0.5000000 0.5000000 0.1528293), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.1655651), wk = 0.0029851 k( 327) = ( 0.5000000 0.5000000 0.1783008), wk = 0.0029851 k( 328) = ( 0.5000000 0.5000000 0.1910366), wk = 0.0029851 k( 329) = ( 0.5000000 0.5000000 0.2037724), wk = 0.0029851 k( 330) = ( 0.5000000 0.5000000 0.2165082), wk = 0.0029851 k( 331) = ( 0.5000000 0.5000000 0.2292439), wk = 0.0029851 k( 332) = ( 0.5000000 0.5000000 0.2419797), wk = 0.0029851 k( 333) = ( 0.5000000 0.5000000 0.2547155), wk = 0.0029851 k( 334) = ( 0.5000000 0.5000000 0.2674512), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 0.2801870), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0029851 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0029851 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0029851 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0029851 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0029851 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0029851 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0029851 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0029851 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0029851 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0029851 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0029851 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0029851 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0029851 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0029851 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0029851 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0029851 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0029851 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029851 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0029851 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0029851 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0029851 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0029851 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0029851 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0029851 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0029851 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0029851 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0029851 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0029851 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0029851 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0029851 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0029851 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0029851 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0029851 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0029851 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0029851 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0029851 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0029851 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0029851 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0029851 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0029851 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0029851 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0029851 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0029851 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0029851 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0029851 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0029851 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0029851 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0029851 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0029851 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0029851 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0029851 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0029851 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0029851 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0029851 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029851 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0029851 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0029851 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0029851 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0029851 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0029851 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0029851 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0029851 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0029851 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0029851 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0029851 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0029851 k( 73) = ( 0.4342105 0.5000000 0.0000000), wk = 0.0029851 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0029851 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0029851 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0029851 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0029851 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0029851 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0029851 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0029851 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0029851 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0029851 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0029851 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0029851 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0029851 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0029851 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0029851 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0029851 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029851 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0029851 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0029851 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0029851 k( 95) = ( 0.3518519 0.3518519 -0.0000000), wk = 0.0029851 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0029851 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029851 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0029851 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0029851 k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0029851 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0029851 k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0029851 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029851 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0029851 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0029851 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029851 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0029851 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0029851 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029851 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0029851 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0029851 k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0029851 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0029851 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0029851 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029851 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0029851 k( 117) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0029851 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0029851 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0029851 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0029851 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029851 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0029851 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0029851 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029851 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0029851 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0029851 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029851 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0029851 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0029851 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0029851 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0029851 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 135) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029851 k( 155) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029851 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 158) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0029851 k( 159) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0029851 k( 160) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0029851 k( 161) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0029851 k( 162) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0029851 k( 163) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0029851 k( 164) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0029851 k( 165) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0029851 k( 166) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0029851 k( 167) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0029851 k( 168) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0029851 k( 169) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0029851 k( 170) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0029851 k( 171) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0029851 k( 172) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0029851 k( 173) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0029851 k( 174) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0029851 k( 175) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0029851 k( 176) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0029851 k( 177) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0029851 k( 178) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0029851 k( 179) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0029851 k( 180) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0029851 k( 181) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0029851 k( 182) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0029851 k( 183) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0029851 k( 184) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0029851 k( 185) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0029851 k( 186) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0029851 k( 187) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0029851 k( 188) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0029851 k( 189) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0029851 k( 190) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0029851 k( 191) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0029851 k( 192) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0029851 k( 193) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0029851 k( 194) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0029851 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 196) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 197) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0029851 k( 198) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0029851 k( 199) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0029851 k( 200) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0029851 k( 201) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0029851 k( 202) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0029851 k( 203) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0029851 k( 204) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0029851 k( 205) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0029851 k( 206) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0029851 k( 207) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0029851 k( 208) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0029851 k( 209) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0029851 k( 210) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0029851 k( 211) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0029851 k( 212) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0029851 k( 213) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0029851 k( 214) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0029851 k( 215) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0029851 k( 216) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0029851 k( 217) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0029851 k( 218) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0029851 k( 219) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0029851 k( 220) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0029851 k( 221) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0029851 k( 222) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0029851 k( 223) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0029851 k( 224) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0029851 k( 225) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0029851 k( 226) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0029851 k( 227) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0029851 k( 228) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0029851 k( 229) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0029851 k( 230) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0029851 k( 231) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0029851 k( 232) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0029851 k( 233) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0029851 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 k( 236) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0029851 k( 237) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0029851 k( 238) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0029851 k( 239) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0029851 k( 240) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0029851 k( 241) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0029851 k( 242) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0029851 k( 243) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0029851 k( 244) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0029851 k( 245) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0029851 k( 246) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0029851 k( 247) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0029851 k( 248) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0029851 k( 249) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0029851 k( 250) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0029851 k( 251) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0029851 k( 252) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0029851 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029851 k( 254) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0029851 k( 255) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029851 k( 256) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0029851 k( 257) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029851 k( 258) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0029851 k( 259) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029851 k( 260) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0029851 k( 261) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029851 k( 262) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029851 k( 263) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029851 k( 264) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0029851 k( 265) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029851 k( 266) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0029851 k( 267) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029851 k( 268) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0029851 k( 269) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029851 k( 270) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0029851 k( 271) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029851 k( 272) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0029851 k( 273) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029851 k( 274) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0029851 k( 275) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029851 k( 276) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0029851 k( 277) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029851 k( 278) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0029851 k( 279) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029851 k( 280) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029851 k( 281) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029851 k( 282) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0029851 k( 283) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029851 k( 284) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0029851 k( 285) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029851 k( 286) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0029851 k( 287) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029851 k( 288) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0029851 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 290) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 291) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0029851 k( 292) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0029851 k( 293) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0029851 k( 294) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0029851 k( 295) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0029851 k( 296) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0029851 k( 297) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0029851 k( 298) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0029851 k( 299) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0029851 k( 300) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0029851 k( 301) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029851 k( 302) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0029851 k( 303) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0029851 k( 304) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0029851 k( 305) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0029851 k( 306) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0029851 k( 307) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0029851 k( 308) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0029851 k( 309) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0029851 k( 310) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0029851 k( 311) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0029851 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029851 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 314) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 0.2045455), wk = 0.0029851 k( 323) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029851 k( 324) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029851 k( 325) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029851 k( 327) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029851 k( 328) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029851 k( 329) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029851 k( 330) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029851 k( 331) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029851 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029851 k( 333) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029851 k( 334) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029851 Dense grid: 83739 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 63065 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 454, 40) NL pseudopotentials 0.57 Mb ( 227, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2324) G-vector shells 0.01 Mb ( 1109) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.11 Mb ( 454, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.20 Mb ( 164, 2, 40) The potential is recalculated from file : ./NaAlSi.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.7 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.9 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 19.1 secs Computing kpt #: 31 total cpu time spent up to now is 19.8 secs Computing kpt #: 32 total cpu time spent up to now is 20.3 secs Computing kpt #: 33 total cpu time spent up to now is 20.9 secs Computing kpt #: 34 total cpu time spent up to now is 21.5 secs Computing kpt #: 35 total cpu time spent up to now is 22.1 secs Computing kpt #: 36 total cpu time spent up to now is 22.7 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.8 secs Computing kpt #: 41 total cpu time spent up to now is 25.3 secs Computing kpt #: 42 total cpu time spent up to now is 25.8 secs Computing kpt #: 43 total cpu time spent up to now is 26.3 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.3 secs Computing kpt #: 46 total cpu time spent up to now is 27.8 secs Computing kpt #: 47 total cpu time spent up to now is 28.3 secs Computing kpt #: 48 total cpu time spent up to now is 28.8 secs Computing kpt #: 49 total cpu time spent up to now is 29.3 secs Computing kpt #: 50 total cpu time spent up to now is 29.8 secs Computing kpt #: 51 total cpu time spent up to now is 30.3 secs Computing kpt #: 52 total cpu time spent up to now is 30.8 secs Computing kpt #: 53 total cpu time spent up to now is 31.3 secs Computing kpt #: 54 total cpu time spent up to now is 31.8 secs Computing kpt #: 55 total cpu time spent up to now is 32.3 secs Computing kpt #: 56 total cpu time spent up to now is 32.7 secs Computing kpt #: 57 total cpu time spent up to now is 33.2 secs Computing kpt #: 58 total cpu time spent up to now is 33.6 secs Computing kpt #: 59 total cpu time spent up to now is 34.1 secs Computing kpt #: 60 total cpu time spent up to now is 34.5 secs Computing kpt #: 61 total cpu time spent up to now is 34.9 secs Computing kpt #: 62 total cpu time spent up to now is 35.3 secs Computing kpt #: 63 total cpu time spent up to now is 35.7 secs Computing kpt #: 64 total cpu time spent up to now is 36.1 secs Computing kpt #: 65 total cpu time spent up to now is 36.5 secs Computing kpt #: 66 total cpu time spent up to now is 36.9 secs Computing kpt #: 67 total cpu time spent up to now is 37.3 secs Computing kpt #: 68 total cpu time spent up to now is 37.7 secs Computing kpt #: 69 total cpu time spent up to now is 38.1 secs Computing kpt #: 70 total cpu time spent up to now is 38.5 secs Computing kpt #: 71 total cpu time spent up to now is 38.9 secs Computing kpt #: 72 total cpu time spent up to now is 39.3 secs Computing kpt #: 73 total cpu time spent up to now is 39.7 secs Computing kpt #: 74 total cpu time spent up to now is 40.1 secs Computing kpt #: 75 total cpu time spent up to now is 40.5 secs Computing kpt #: 76 total cpu time spent up to now is 40.9 secs Computing kpt #: 77 total cpu time spent up to now is 41.3 secs Computing kpt #: 78 total cpu time spent up to now is 41.7 secs Computing kpt #: 79 total cpu time spent up to now is 42.1 secs Computing kpt #: 80 total cpu time spent up to now is 42.4 secs Computing kpt #: 81 total cpu time spent up to now is 42.8 secs Computing kpt #: 82 total cpu time spent up to now is 43.2 secs Computing kpt #: 83 total cpu time spent up to now is 43.6 secs Computing kpt #: 84 total cpu time spent up to now is 44.0 secs Computing kpt #: 85 total cpu time spent up to now is 44.4 secs Computing kpt #: 86 total cpu time spent up to now is 44.8 secs Computing kpt #: 87 total cpu time spent up to now is 45.2 secs Computing kpt #: 88 total cpu time spent up to now is 45.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.0 secs Computing kpt #: 90 total cpu time spent up to now is 46.4 secs Computing kpt #: 91 total cpu time spent up to now is 46.8 secs Computing kpt #: 92 total cpu time spent up to now is 47.2 secs Computing kpt #: 93 total cpu time spent up to now is 47.7 secs Computing kpt #: 94 total cpu time spent up to now is 48.1 secs Computing kpt #: 95 total cpu time spent up to now is 48.5 secs Computing kpt #: 96 total cpu time spent up to now is 48.9 secs Computing kpt #: 97 total cpu time spent up to now is 49.4 secs Computing kpt #: 98 total cpu time spent up to now is 49.8 secs Computing kpt #: 99 total cpu time spent up to now is 50.2 secs Computing kpt #: 100 total cpu time spent up to now is 50.7 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.6 secs Computing kpt #: 103 total cpu time spent up to now is 52.1 secs Computing kpt #: 104 total cpu time spent up to now is 52.5 secs Computing kpt #: 105 total cpu time spent up to now is 53.0 secs Computing kpt #: 106 total cpu time spent up to now is 53.6 secs Computing kpt #: 107 total cpu time spent up to now is 54.2 secs Computing kpt #: 108 total cpu time spent up to now is 54.7 secs Computing kpt #: 109 total cpu time spent up to now is 55.3 secs Computing kpt #: 110 total cpu time spent up to now is 55.9 secs Computing kpt #: 111 total cpu time spent up to now is 56.5 secs Computing kpt #: 112 total cpu time spent up to now is 57.0 secs Computing kpt #: 113 total cpu time spent up to now is 57.5 secs Computing kpt #: 114 total cpu time spent up to now is 58.0 secs Computing kpt #: 115 total cpu time spent up to now is 58.5 secs Computing kpt #: 116 total cpu time spent up to now is 59.0 secs Computing kpt #: 117 total cpu time spent up to now is 59.5 secs Computing kpt #: 118 total cpu time spent up to now is 60.0 secs Computing kpt #: 119 total cpu time spent up to now is 60.5 secs Computing kpt #: 120 total cpu time spent up to now is 61.0 secs Computing kpt #: 121 total cpu time spent up to now is 61.5 secs Computing kpt #: 122 total cpu time spent up to now is 62.0 secs Computing kpt #: 123 total cpu time spent up to now is 62.5 secs Computing kpt #: 124 total cpu time spent up to now is 63.0 secs Computing kpt #: 125 total cpu time spent up to now is 63.4 secs Computing kpt #: 126 total cpu time spent up to now is 63.9 secs Computing kpt #: 127 total cpu time spent up to now is 64.3 secs Computing kpt #: 128 total cpu time spent up to now is 64.8 secs Computing kpt #: 129 total cpu time spent up to now is 65.2 secs Computing kpt #: 130 total cpu time spent up to now is 65.6 secs Computing kpt #: 131 total cpu time spent up to now is 66.0 secs Computing kpt #: 132 total cpu time spent up to now is 66.4 secs Computing kpt #: 133 total cpu time spent up to now is 66.8 secs Computing kpt #: 134 total cpu time spent up to now is 67.2 secs Computing kpt #: 135 total cpu time spent up to now is 67.7 secs Computing kpt #: 136 total cpu time spent up to now is 68.1 secs Computing kpt #: 137 total cpu time spent up to now is 68.5 secs Computing kpt #: 138 total cpu time spent up to now is 68.9 secs Computing kpt #: 139 total cpu time spent up to now is 69.3 secs Computing kpt #: 140 total cpu time spent up to now is 69.7 secs Computing kpt #: 141 total cpu time spent up to now is 70.2 secs Computing kpt #: 142 total cpu time spent up to now is 70.6 secs Computing kpt #: 143 total cpu time spent up to now is 71.0 secs Computing kpt #: 144 total cpu time spent up to now is 71.4 secs Computing kpt #: 145 total cpu time spent up to now is 71.9 secs Computing kpt #: 146 total cpu time spent up to now is 72.3 secs Computing kpt #: 147 total cpu time spent up to now is 72.7 secs Computing kpt #: 148 total cpu time spent up to now is 73.1 secs Computing kpt #: 149 total cpu time spent up to now is 73.6 secs Computing kpt #: 150 total cpu time spent up to now is 74.0 secs Computing kpt #: 151 total cpu time spent up to now is 74.5 secs Computing kpt #: 152 total cpu time spent up to now is 74.9 secs Computing kpt #: 153 total cpu time spent up to now is 75.4 secs Computing kpt #: 154 total cpu time spent up to now is 75.8 secs Computing kpt #: 155 total cpu time spent up to now is 76.3 secs Computing kpt #: 156 total cpu time spent up to now is 76.7 secs Computing kpt #: 157 total cpu time spent up to now is 77.1 secs Computing kpt #: 158 total cpu time spent up to now is 77.6 secs Computing kpt #: 159 total cpu time spent up to now is 78.0 secs Computing kpt #: 160 total cpu time spent up to now is 78.5 secs Computing kpt #: 161 total cpu time spent up to now is 78.9 secs Computing kpt #: 162 total cpu time spent up to now is 79.4 secs Computing kpt #: 163 total cpu time spent up to now is 80.0 secs Computing kpt #: 164 total cpu time spent up to now is 80.6 secs Computing kpt #: 165 total cpu time spent up to now is 81.1 secs Computing kpt #: 166 total cpu time spent up to now is 81.5 secs Computing kpt #: 167 total cpu time spent up to now is 82.0 secs Computing kpt #: 168 total cpu time spent up to now is 82.4 secs Computing kpt #: 169 total cpu time spent up to now is 82.9 secs Computing kpt #: 170 total cpu time spent up to now is 83.3 secs Computing kpt #: 171 total cpu time spent up to now is 83.8 secs Computing kpt #: 172 total cpu time spent up to now is 84.2 secs Computing kpt #: 173 total cpu time spent up to now is 84.7 secs Computing kpt #: 174 total cpu time spent up to now is 85.2 secs Computing kpt #: 175 total cpu time spent up to now is 85.8 secs Computing kpt #: 176 total cpu time spent up to now is 86.3 secs Computing kpt #: 177 total cpu time spent up to now is 86.8 secs Computing kpt #: 178 total cpu time spent up to now is 87.2 secs Computing kpt #: 179 total cpu time spent up to now is 87.7 secs Computing kpt #: 180 total cpu time spent up to now is 88.2 secs Computing kpt #: 181 total cpu time spent up to now is 88.6 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.5 secs Computing kpt #: 184 total cpu time spent up to now is 90.0 secs Computing kpt #: 185 total cpu time spent up to now is 90.4 secs Computing kpt #: 186 total cpu time spent up to now is 90.8 secs Computing kpt #: 187 total cpu time spent up to now is 91.3 secs Computing kpt #: 188 total cpu time spent up to now is 91.7 secs Computing kpt #: 189 total cpu time spent up to now is 92.1 secs Computing kpt #: 190 total cpu time spent up to now is 92.6 secs Computing kpt #: 191 total cpu time spent up to now is 93.0 secs Computing kpt #: 192 total cpu time spent up to now is 93.4 secs Computing kpt #: 193 total cpu time spent up to now is 93.8 secs Computing kpt #: 194 total cpu time spent up to now is 94.3 secs Computing kpt #: 195 total cpu time spent up to now is 94.7 secs Computing kpt #: 196 total cpu time spent up to now is 95.1 secs Computing kpt #: 197 total cpu time spent up to now is 95.5 secs Computing kpt #: 198 total cpu time spent up to now is 96.0 secs Computing kpt #: 199 total cpu time spent up to now is 96.4 secs Computing kpt #: 200 total cpu time spent up to now is 96.8 secs Computing kpt #: 201 total cpu time spent up to now is 97.3 secs Computing kpt #: 202 total cpu time spent up to now is 97.8 secs Computing kpt #: 203 total cpu time spent up to now is 98.2 secs Computing kpt #: 204 total cpu time spent up to now is 98.7 secs Computing kpt #: 205 total cpu time spent up to now is 99.2 secs Computing kpt #: 206 total cpu time spent up to now is 99.7 secs Computing kpt #: 207 total cpu time spent up to now is 100.1 secs Computing kpt #: 208 total cpu time spent up to now is 100.6 secs Computing kpt #: 209 total cpu time spent up to now is 101.0 secs Computing kpt #: 210 total cpu time spent up to now is 101.5 secs Computing kpt #: 211 total cpu time spent up to now is 101.9 secs Computing kpt #: 212 total cpu time spent up to now is 102.4 secs Computing kpt #: 213 total cpu time spent up to now is 102.8 secs Computing kpt #: 214 total cpu time spent up to now is 103.2 secs Computing kpt #: 215 total cpu time spent up to now is 103.7 secs Computing kpt #: 216 total cpu time spent up to now is 104.1 secs Computing kpt #: 217 total cpu time spent up to now is 104.5 secs Computing kpt #: 218 total cpu time spent up to now is 104.9 secs Computing kpt #: 219 total cpu time spent up to now is 105.4 secs Computing kpt #: 220 total cpu time spent up to now is 105.8 secs Computing kpt #: 221 total cpu time spent up to now is 106.2 secs Computing kpt #: 222 total cpu time spent up to now is 106.7 secs Computing kpt #: 223 total cpu time spent up to now is 107.1 secs Computing kpt #: 224 total cpu time spent up to now is 107.6 secs Computing kpt #: 225 total cpu time spent up to now is 108.1 secs Computing kpt #: 226 total cpu time spent up to now is 108.5 secs Computing kpt #: 227 total cpu time spent up to now is 109.0 secs Computing kpt #: 228 total cpu time spent up to now is 109.4 secs Computing kpt #: 229 total cpu time spent up to now is 109.9 secs Computing kpt #: 230 total cpu time spent up to now is 110.4 secs Computing kpt #: 231 total cpu time spent up to now is 110.8 secs Computing kpt #: 232 total cpu time spent up to now is 111.2 secs Computing kpt #: 233 total cpu time spent up to now is 111.7 secs Computing kpt #: 234 total cpu time spent up to now is 112.1 secs Computing kpt #: 235 total cpu time spent up to now is 112.5 secs Computing kpt #: 236 total cpu time spent up to now is 112.9 secs Computing kpt #: 237 total cpu time spent up to now is 113.4 secs Computing kpt #: 238 total cpu time spent up to now is 113.8 secs Computing kpt #: 239 total cpu time spent up to now is 114.2 secs Computing kpt #: 240 total cpu time spent up to now is 114.7 secs Computing kpt #: 241 total cpu time spent up to now is 115.1 secs Computing kpt #: 242 total cpu time spent up to now is 115.6 secs Computing kpt #: 243 total cpu time spent up to now is 116.0 secs Computing kpt #: 244 total cpu time spent up to now is 116.5 secs Computing kpt #: 245 total cpu time spent up to now is 116.9 secs Computing kpt #: 246 total cpu time spent up to now is 117.3 secs Computing kpt #: 247 total cpu time spent up to now is 117.8 secs Computing kpt #: 248 total cpu time spent up to now is 118.2 secs Computing kpt #: 249 total cpu time spent up to now is 118.7 secs Computing kpt #: 250 total cpu time spent up to now is 119.1 secs Computing kpt #: 251 total cpu time spent up to now is 119.6 secs Computing kpt #: 252 total cpu time spent up to now is 120.0 secs Computing kpt #: 253 total cpu time spent up to now is 120.4 secs Computing kpt #: 254 total cpu time spent up to now is 120.9 secs Computing kpt #: 255 total cpu time spent up to now is 121.3 secs Computing kpt #: 256 total cpu time spent up to now is 121.8 secs Computing kpt #: 257 total cpu time spent up to now is 122.2 secs Computing kpt #: 258 total cpu time spent up to now is 122.7 secs Computing kpt #: 259 total cpu time spent up to now is 123.1 secs Computing kpt #: 260 total cpu time spent up to now is 123.6 secs Computing kpt #: 261 total cpu time spent up to now is 124.1 secs Computing kpt #: 262 total cpu time spent up to now is 124.5 secs Computing kpt #: 263 total cpu time spent up to now is 125.0 secs Computing kpt #: 264 total cpu time spent up to now is 125.6 secs Computing kpt #: 265 total cpu time spent up to now is 126.2 secs Computing kpt #: 266 total cpu time spent up to now is 126.8 secs Computing kpt #: 267 total cpu time spent up to now is 127.4 secs Computing kpt #: 268 total cpu time spent up to now is 128.0 secs Computing kpt #: 269 total cpu time spent up to now is 128.5 secs Computing kpt #: 270 total cpu time spent up to now is 129.0 secs Computing kpt #: 271 total cpu time spent up to now is 129.5 secs Computing kpt #: 272 total cpu time spent up to now is 130.0 secs Computing kpt #: 273 total cpu time spent up to now is 130.5 secs Computing kpt #: 274 total cpu time spent up to now is 131.1 secs Computing kpt #: 275 total cpu time spent up to now is 131.6 secs Computing kpt #: 276 total cpu time spent up to now is 132.1 secs Computing kpt #: 277 total cpu time spent up to now is 132.5 secs Computing kpt #: 278 total cpu time spent up to now is 133.0 secs Computing kpt #: 279 total cpu time spent up to now is 133.4 secs Computing kpt #: 280 total cpu time spent up to now is 133.9 secs Computing kpt #: 281 total cpu time spent up to now is 134.5 secs Computing kpt #: 282 total cpu time spent up to now is 135.1 secs Computing kpt #: 283 total cpu time spent up to now is 135.6 secs Computing kpt #: 284 total cpu time spent up to now is 136.1 secs Computing kpt #: 285 total cpu time spent up to now is 136.5 secs Computing kpt #: 286 total cpu time spent up to now is 137.0 secs Computing kpt #: 287 total cpu time spent up to now is 137.4 secs Computing kpt #: 288 total cpu time spent up to now is 137.9 secs Computing kpt #: 289 total cpu time spent up to now is 138.3 secs Computing kpt #: 290 total cpu time spent up to now is 138.8 secs Computing kpt #: 291 total cpu time spent up to now is 139.3 secs Computing kpt #: 292 total cpu time spent up to now is 139.8 secs Computing kpt #: 293 total cpu time spent up to now is 140.3 secs Computing kpt #: 294 total cpu time spent up to now is 140.7 secs Computing kpt #: 295 total cpu time spent up to now is 141.2 secs Computing kpt #: 296 total cpu time spent up to now is 141.6 secs Computing kpt #: 297 total cpu time spent up to now is 142.1 secs Computing kpt #: 298 total cpu time spent up to now is 142.5 secs Computing kpt #: 299 total cpu time spent up to now is 142.9 secs Computing kpt #: 300 total cpu time spent up to now is 143.4 secs Computing kpt #: 301 total cpu time spent up to now is 143.8 secs Computing kpt #: 302 total cpu time spent up to now is 144.2 secs Computing kpt #: 303 total cpu time spent up to now is 144.6 secs Computing kpt #: 304 total cpu time spent up to now is 145.1 secs Computing kpt #: 305 total cpu time spent up to now is 145.5 secs Computing kpt #: 306 total cpu time spent up to now is 145.9 secs Computing kpt #: 307 total cpu time spent up to now is 146.3 secs Computing kpt #: 308 total cpu time spent up to now is 146.8 secs Computing kpt #: 309 total cpu time spent up to now is 147.2 secs Computing kpt #: 310 total cpu time spent up to now is 147.6 secs Computing kpt #: 311 total cpu time spent up to now is 148.0 secs Computing kpt #: 312 total cpu time spent up to now is 148.4 secs Computing kpt #: 313 total cpu time spent up to now is 148.8 secs Computing kpt #: 314 total cpu time spent up to now is 149.2 secs Computing kpt #: 315 total cpu time spent up to now is 149.6 secs Computing kpt #: 316 total cpu time spent up to now is 150.0 secs Computing kpt #: 317 total cpu time spent up to now is 150.4 secs Computing kpt #: 318 total cpu time spent up to now is 150.8 secs Computing kpt #: 319 total cpu time spent up to now is 151.2 secs Computing kpt #: 320 total cpu time spent up to now is 151.6 secs Computing kpt #: 321 total cpu time spent up to now is 152.0 secs Computing kpt #: 322 total cpu time spent up to now is 152.4 secs Computing kpt #: 323 total cpu time spent up to now is 152.8 secs Computing kpt #: 324 total cpu time spent up to now is 153.2 secs Computing kpt #: 325 total cpu time spent up to now is 153.6 secs Computing kpt #: 326 total cpu time spent up to now is 154.0 secs Computing kpt #: 327 total cpu time spent up to now is 154.5 secs Computing kpt #: 328 total cpu time spent up to now is 154.9 secs Computing kpt #: 329 total cpu time spent up to now is 155.3 secs Computing kpt #: 330 total cpu time spent up to now is 155.7 secs Computing kpt #: 331 total cpu time spent up to now is 156.2 secs Computing kpt #: 332 total cpu time spent up to now is 156.6 secs Computing kpt #: 333 total cpu time spent up to now is 157.1 secs Computing kpt #: 334 total cpu time spent up to now is 157.5 secs Computing kpt #: 335 total cpu time spent up to now is 157.9 secs ethr = 3.13E-08, avg # of iterations = 15.5 total cpu time spent up to now is 157.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0435 -5.0435 -2.5743 -2.5743 0.5361 0.5361 2.9647 2.9647 2.9648 2.9648 4.5192 4.5192 4.8319 4.8319 5.4333 5.4333 5.4565 5.4565 5.7942 5.7942 6.9359 6.9359 7.6368 7.6368 k = 0.0000 0.0132-0.0000 ( 7869 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0422 -5.0422 -2.5736 -2.5736 0.5372 0.5372 2.9457 2.9457 2.9659 2.9659 4.5236 4.5236 4.8453 4.8453 5.4218 5.4218 5.4508 5.4508 5.7994 5.7994 6.9448 6.9448 7.6460 7.6460 k = 0.0000 0.0263-0.0000 ( 7871 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2923 -19.2923 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1136 -19.1136 -5.0381 -5.0381 -2.5717 -2.5717 0.5406 0.5406 2.8910 2.8910 2.9695 2.9695 4.5342 4.5342 4.8848 4.8848 5.3756 5.3756 5.4474 5.4474 5.8154 5.8154 6.9696 6.9696 7.6736 7.6736 k = 0.0000 0.0395-0.0000 ( 7871 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2923 -19.2923 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1136 -19.1136 -5.0314 -5.0314 -2.5684 -2.5684 0.5461 0.5461 2.8069 2.8069 2.9754 2.9754 4.5463 4.5463 4.9472 4.9472 5.2988 5.2988 5.4471 5.4471 5.8442 5.8442 7.0048 7.0048 7.7193 7.7193 k = 0.0000 0.0526-0.0000 ( 7861 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2924 -19.2924 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1136 -19.1136 -5.0219 -5.0219 -2.5640 -2.5640 0.5538 0.5538 2.7006 2.7006 2.9838 2.9838 4.5568 4.5568 5.0255 5.0255 5.2000 5.2000 5.4478 5.4478 5.8884 5.8884 7.0449 7.0449 7.7819 7.7819 k = 0.0000 0.0658-0.0000 ( 7861 PWs) bands (ev): -47.2537 -47.2537 -47.2496 -47.2496 -19.3148 -19.3148 -19.2925 -19.2925 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1137 -19.1137 -5.0098 -5.0098 -2.5583 -2.5583 0.5637 0.5637 2.5786 2.5786 2.9945 2.9945 4.5648 4.5648 5.0848 5.0848 5.1104 5.1104 5.4488 5.4488 5.9520 5.9520 7.0857 7.0857 7.8589 7.8589 k = 0.0000 0.0789-0.0000 ( 7855 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3148 -19.3148 -19.2927 -19.2927 -19.1401 -19.1401 -19.1337 -19.1337 -19.1141 -19.1141 -19.1137 -19.1137 -4.9950 -4.9950 -2.5516 -2.5516 0.5757 0.5757 2.4462 2.4462 3.0075 3.0075 4.5706 4.5706 4.9591 4.9591 5.1915 5.1915 5.4500 5.4500 6.0387 6.0387 7.1250 7.1250 7.9466 7.9466 k = 0.0000 0.0921-0.0000 ( 7859 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3147 -19.3147 -19.2929 -19.2929 -19.1401 -19.1401 -19.1336 -19.1336 -19.1142 -19.1142 -19.1138 -19.1138 -4.9775 -4.9775 -2.5439 -2.5439 0.5898 0.5898 2.3072 2.3072 3.0230 3.0230 4.5742 4.5742 4.8256 4.8256 5.2635 5.2635 5.4512 5.4512 6.1504 6.1504 7.1623 7.1623 8.0404 8.0404 k = 0.0000 0.1053-0.0000 ( 7867 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3147 -19.3147 -19.2931 -19.2931 -19.1402 -19.1402 -19.1337 -19.1337 -19.1143 -19.1143 -19.1139 -19.1139 -4.9574 -4.9574 -2.5353 -2.5353 0.6058 0.6058 2.1644 2.1644 3.0407 3.0407 4.5755 4.5755 4.6872 4.6872 5.3237 5.3237 5.4523 5.4523 6.2866 6.2866 7.1980 7.1980 8.1358 8.1358 k = 0.0000 0.1184-0.0000 ( 7871 PWs) bands (ev): -47.2536 -47.2536 -47.2497 -47.2497 -19.3146 -19.3146 -19.2934 -19.2934 -19.1402 -19.1402 -19.1336 -19.1336 -19.1144 -19.1144 -19.1139 -19.1139 -4.9346 -4.9346 -2.5259 -2.5259 0.6237 0.6237 2.0198 2.0198 3.0608 3.0608 4.5430 4.5430 4.5777 4.5777 5.3729 5.3729 5.4532 5.4532 6.4443 6.4443 7.2328 7.2328 8.2278 8.2278 k = 0.0000 0.1316-0.0000 ( 7877 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3145 -19.3145 -19.2937 -19.2937 -19.1402 -19.1402 -19.1336 -19.1336 -19.1146 -19.1146 -19.1140 -19.1140 -4.9091 -4.9091 -2.5160 -2.5160 0.6435 0.6435 1.8751 1.8751 3.0833 3.0833 4.4014 4.4014 4.5732 4.5732 5.4131 5.4131 5.4537 5.4537 6.6196 6.6196 7.2672 7.2672 8.1430 8.1430 k = 0.0000 0.1447-0.0000 ( 7877 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3144 -19.3144 -19.2940 -19.2940 -19.1402 -19.1402 -19.1336 -19.1336 -19.1148 -19.1148 -19.1140 -19.1140 -4.8811 -4.8811 -2.5057 -2.5057 0.6649 0.6649 1.7313 1.7313 3.1080 3.1080 4.2580 4.2580 4.5673 4.5673 5.4458 5.4458 5.4551 5.4551 6.8088 6.8088 7.3018 7.3018 8.0592 8.0592 k = 0.0000 0.1579-0.0000 ( 7887 PWs) bands (ev): -47.2535 -47.2535 -47.2498 -47.2498 -19.3143 -19.3143 -19.2943 -19.2943 -19.1402 -19.1402 -19.1336 -19.1336 -19.1150 -19.1150 -19.1141 -19.1141 -4.8504 -4.8504 -2.4953 -2.4953 0.6878 0.6878 1.5897 1.5897 3.1351 3.1351 4.1151 4.1151 4.5581 4.5581 5.4514 5.4514 5.4788 5.4788 7.0089 7.0089 7.3370 7.3370 7.9801 7.9801 k = 0.0000 0.1711-0.0000 ( 7889 PWs) bands (ev): -47.2535 -47.2535 -47.2499 -47.2499 -19.3142 -19.3142 -19.2947 -19.2947 -19.1402 -19.1402 -19.1336 -19.1336 -19.1152 -19.1152 -19.1141 -19.1141 -4.8171 -4.8171 -2.4850 -2.4850 0.7121 0.7121 1.4509 1.4509 3.1644 3.1644 3.9736 3.9736 4.5449 4.5449 5.4494 5.4494 5.5068 5.5068 7.2172 7.2172 7.3732 7.3732 7.9074 7.9074 k = 0.0000 0.1842-0.0000 ( 7902 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3141 -19.3141 -19.2950 -19.2950 -19.1402 -19.1402 -19.1337 -19.1337 -19.1154 -19.1154 -19.1142 -19.1142 -4.7813 -4.7813 -2.4752 -2.4752 0.7375 0.7375 1.3157 1.3157 3.1960 3.1960 3.8341 3.8341 4.5272 4.5272 5.4459 5.4459 5.5342 5.5342 7.4098 7.4098 7.4309 7.4309 7.8436 7.8436 k = 0.0000 0.1974-0.0000 ( 7894 PWs) bands (ev): -47.2534 -47.2534 -47.2500 -47.2500 -19.3139 -19.3139 -19.2954 -19.2954 -19.1401 -19.1401 -19.1336 -19.1336 -19.1156 -19.1156 -19.1142 -19.1142 -4.7429 -4.7429 -2.4661 -2.4661 0.7638 0.7638 1.1848 1.1848 3.2298 3.2298 3.6974 3.6974 4.5044 4.5044 5.4408 5.4408 5.5619 5.5619 7.4482 7.4482 7.6342 7.6342 7.8026 7.8026 k = 0.0000 0.2105-0.0000 ( 7886 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3137 -19.3137 -19.2958 -19.2958 -19.1401 -19.1401 -19.1336 -19.1336 -19.1158 -19.1158 -19.1143 -19.1143 -4.7020 -4.7020 -2.4582 -2.4582 0.7906 0.7906 1.0589 1.0589 3.2658 3.2658 3.5641 3.5641 4.4760 4.4760 5.4337 5.4337 5.5908 5.5908 7.4872 7.4872 7.6982 7.6982 7.9144 7.9144 k = 0.0000 0.2237-0.0000 ( 7890 PWs) bands (ev): -47.2533 -47.2533 -47.2501 -47.2501 -19.3136 -19.3136 -19.2962 -19.2962 -19.1401 -19.1401 -19.1337 -19.1337 -19.1160 -19.1160 -19.1143 -19.1143 -4.6586 -4.6586 -2.4520 -2.4520 0.8176 0.8176 0.9386 0.9386 3.3039 3.3039 3.4349 3.4349 4.4417 4.4417 5.4244 5.4244 5.6215 5.6215 7.5269 7.5269 7.6660 7.6660 8.1350 8.1350 k = 0.0000 0.2368-0.0000 ( 7894 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3134 -19.3134 -19.2967 -19.2967 -19.1400 -19.1400 -19.1337 -19.1337 -19.1162 -19.1162 -19.1144 -19.1144 -4.6127 -4.6127 -2.4478 -2.4478 0.8243 0.8243 0.8445 0.8445 3.3097 3.3097 3.3449 3.3449 4.4013 4.4013 5.4127 5.4127 5.6546 5.6546 7.5669 7.5669 7.6334 7.6334 8.3681 8.3681 k = 0.0000 0.2500-0.0000 ( 7896 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3132 -19.3132 -19.2971 -19.2971 -19.1400 -19.1400 -19.1337 -19.1337 -19.1164 -19.1164 -19.1145 -19.1145 -4.5644 -4.5644 -2.4462 -2.4462 0.7174 0.7174 0.8700 0.8700 3.1910 3.1910 3.3870 3.3870 4.3547 4.3547 5.3981 5.3981 5.6903 5.6903 7.6047 7.6047 7.6096 7.6096 8.5981 8.5981 k = 0.0000 0.2632-0.0000 ( 7894 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3130 -19.3130 -19.2976 -19.2976 -19.1399 -19.1399 -19.1338 -19.1338 -19.1166 -19.1166 -19.1145 -19.1145 -4.5137 -4.5137 -2.4478 -2.4478 0.6178 0.6178 0.8941 0.8941 3.0782 3.0782 3.4315 3.4315 4.3022 4.3022 5.3805 5.3805 5.7290 5.7290 7.5897 7.5897 7.6456 7.6456 8.5829 8.5829 k = 0.0000 0.2763-0.0000 ( 7904 PWs) bands (ev): -47.2530 -47.2530 -47.2503 -47.2503 -19.3128 -19.3128 -19.2981 -19.2981 -19.1399 -19.1399 -19.1339 -19.1339 -19.1168 -19.1168 -19.1146 -19.1146 -4.4607 -4.4607 -2.4531 -2.4531 0.5264 0.5264 0.9158 0.9158 2.9727 2.9727 3.4781 3.4781 4.2440 4.2440 5.3597 5.3597 5.7708 5.7708 7.5802 7.5802 7.6819 7.6819 8.5612 8.5612 k = 0.0000 0.2895-0.0000 ( 7916 PWs) bands (ev): -47.2529 -47.2529 -47.2504 -47.2504 -19.3125 -19.3125 -19.2986 -19.2986 -19.1398 -19.1398 -19.1340 -19.1340 -19.1169 -19.1169 -19.1147 -19.1147 -4.4054 -4.4054 -2.4626 -2.4626 0.4439 0.4439 0.9340 0.9340 2.8756 2.8756 3.5266 3.5266 4.1805 4.1805 5.3353 5.3353 5.8159 5.8159 7.5787 7.5787 7.7143 7.7143 8.5370 8.5370 k = 0.0000 0.3026-0.0000 ( 7910 PWs) bands (ev): -47.2529 -47.2529 -47.2504 -47.2504 -19.3123 -19.3123 -19.2991 -19.2991 -19.1397 -19.1397 -19.1341 -19.1341 -19.1170 -19.1170 -19.1148 -19.1148 -4.3478 -4.3478 -2.4769 -2.4769 0.3706 0.3706 0.9479 0.9479 2.7880 2.7880 3.5771 3.5771 4.1122 4.1122 5.3073 5.3073 5.8642 5.8642 7.5851 7.5851 7.7404 7.7404 8.5135 8.5135 k = 0.0000 0.3158-0.0000 ( 7910 PWs) bands (ev): -47.2528 -47.2528 -47.2505 -47.2505 -19.3120 -19.3120 -19.2996 -19.2996 -19.1396 -19.1396 -19.1342 -19.1342 -19.1172 -19.1172 -19.1149 -19.1149 -4.2881 -4.2881 -2.4964 -2.4964 0.3072 0.3072 0.9560 0.9560 2.7112 2.7112 3.6295 3.6295 4.0398 4.0398 5.2754 5.2754 5.9157 5.9157 7.5988 7.5988 7.7570 7.7570 8.4946 8.4946 k = 0.0000 0.3289-0.0000 ( 7902 PWs) bands (ev): -47.2527 -47.2527 -47.2505 -47.2505 -19.3117 -19.3117 -19.3001 -19.3001 -19.1395 -19.1395 -19.1343 -19.1343 -19.1172 -19.1172 -19.1150 -19.1150 -4.2263 -4.2263 -2.5215 -2.5215 0.2541 0.2541 0.9574 0.9574 2.6464 2.6464 3.6836 3.6836 3.9637 3.9637 5.2398 5.2398 5.9704 5.9704 7.6196 7.6196 7.7612 7.7612 8.4843 8.4843 k = 0.0000 0.3421-0.0000 ( 7902 PWs) bands (ev): -47.2526 -47.2526 -47.2506 -47.2506 -19.3114 -19.3114 -19.3007 -19.3007 -19.1394 -19.1394 -19.1345 -19.1345 -19.1173 -19.1173 -19.1151 -19.1151 -4.1624 -4.1624 -2.5523 -2.5523 0.2113 0.2113 0.9511 0.9511 2.5948 2.5948 3.7395 3.7395 3.8846 3.8846 5.2003 5.2003 6.0282 6.0282 7.6471 7.6471 7.7502 7.7502 8.4860 8.4860 k = 0.0000 0.3553-0.0000 ( 7906 PWs) bands (ev): -47.2525 -47.2525 -47.2507 -47.2507 -19.3111 -19.3111 -19.3012 -19.3012 -19.1392 -19.1392 -19.1346 -19.1346 -19.1174 -19.1174 -19.1153 -19.1153 -4.0966 -4.0966 -2.5890 -2.5890 0.1790 0.1790 0.9362 0.9362 2.5571 2.5571 3.7946 3.7946 3.8055 3.8055 5.1571 5.1571 6.0890 6.0890 7.6809 7.6809 7.7234 7.7234 8.5014 8.5014 k = 0.0000 0.3684-0.0000 ( 7910 PWs) bands (ev): -47.2525 -47.2525 -47.2508 -47.2508 -19.3108 -19.3108 -19.3018 -19.3018 -19.1391 -19.1391 -19.1348 -19.1348 -19.1174 -19.1174 -19.1154 -19.1154 -4.0290 -4.0290 -2.6315 -2.6315 0.1572 0.1572 0.9126 0.9126 2.5337 2.5337 3.7195 3.7195 3.8565 3.8565 5.1103 5.1103 6.1526 6.1526 7.6816 7.6816 7.7205 7.7205 8.5298 8.5298 k = 0.0000 0.3816-0.0000 ( 7900 PWs) bands (ev): -47.2524 -47.2524 -47.2508 -47.2508 -19.3104 -19.3104 -19.3023 -19.3023 -19.1389 -19.1389 -19.1350 -19.1350 -19.1174 -19.1174 -19.1155 -19.1155 -3.9596 -3.9596 -2.6796 -2.6796 0.1454 0.1454 0.8805 0.8805 2.5243 2.5243 3.6350 3.6350 3.9170 3.9170 5.0602 5.0602 6.2190 6.2190 7.6274 7.6274 7.7655 7.7655 8.5355 8.5355 k = 0.0000 0.3947-0.0000 ( 7894 PWs) bands (ev): -47.2523 -47.2523 -47.2509 -47.2509 -19.3100 -19.3100 -19.3027 -19.3027 -19.1387 -19.1387 -19.1352 -19.1352 -19.1174 -19.1174 -19.1156 -19.1156 -3.8887 -3.8887 -2.7329 -2.7329 0.1434 0.1434 0.8408 0.8408 2.5284 2.5284 3.5498 3.5498 3.9789 3.9789 5.0069 5.0069 6.2881 6.2881 7.5634 7.5634 7.8157 7.8157 8.5259 8.5259 k = 0.0000 0.4079-0.0000 ( 7886 PWs) bands (ev): -47.2522 -47.2522 -47.2510 -47.2510 -19.3097 -19.3097 -19.3032 -19.3032 -19.1385 -19.1385 -19.1354 -19.1354 -19.1173 -19.1173 -19.1158 -19.1158 -3.8162 -3.8162 -2.7909 -2.7909 0.1506 0.1506 0.7945 0.7945 2.5448 2.5448 3.4644 3.4644 4.0421 4.0421 4.9508 4.9508 6.3596 6.3596 7.4921 7.4921 7.8707 7.8707 8.5228 8.5228 k = 0.0000 0.4211-0.0000 ( 7896 PWs) bands (ev): -47.2521 -47.2521 -47.2511 -47.2511 -19.3093 -19.3093 -19.3038 -19.3038 -19.1384 -19.1384 -19.1356 -19.1356 -19.1173 -19.1173 -19.1159 -19.1159 -3.7425 -3.7425 -2.8532 -2.8532 0.1664 0.1664 0.7429 0.7429 2.5722 2.5722 3.3793 3.3793 4.1064 4.1064 4.8921 4.8921 6.4334 6.4334 7.4157 7.4157 7.9302 7.9302 8.5256 8.5256 k = 0.0000 0.4342-0.0000 ( 7900 PWs) bands (ev): -47.2520 -47.2520 -47.2512 -47.2512 -19.3089 -19.3089 -19.3043 -19.3043 -19.1382 -19.1382 -19.1359 -19.1359 -19.1172 -19.1172 -19.1160 -19.1160 -3.6677 -3.6677 -2.9192 -2.9192 0.1901 0.1901 0.6877 0.6877 2.6095 2.6095 3.2949 3.2949 4.1716 4.1716 4.8313 4.8313 6.5094 6.5094 7.3356 7.3356 7.9938 7.9938 8.5338 8.5338 k = 0.0000 0.4474-0.0000 ( 7888 PWs) bands (ev): -47.2519 -47.2519 -47.2512 -47.2512 -19.3085 -19.3085 -19.3048 -19.3048 -19.1379 -19.1379 -19.1361 -19.1361 -19.1171 -19.1171 -19.1161 -19.1161 -3.5919 -3.5919 -2.9883 -2.9883 0.2210 0.2210 0.6300 0.6300 2.6552 2.6552 3.2118 3.2118 4.2377 4.2377 4.7686 4.7686 6.5874 6.5874 7.2530 7.2530 8.0613 8.0613 8.5469 8.5469 k = 0.0000 0.4605-0.0000 ( 7884 PWs) bands (ev): -47.2518 -47.2518 -47.2513 -47.2513 -19.3081 -19.3081 -19.3053 -19.3053 -19.1377 -19.1377 -19.1363 -19.1363 -19.1170 -19.1170 -19.1163 -19.1163 -3.5155 -3.5155 -3.0600 -3.0600 0.2583 0.2583 0.5714 0.5714 2.7083 2.7083 3.1304 3.1304 4.3043 4.3043 4.7044 4.7044 6.6672 6.6672 7.1691 7.1691 8.1325 8.1325 8.5642 8.5642 k = 0.0000 0.4737-0.0000 ( 7880 PWs) bands (ev): -47.2518 -47.2518 -47.2514 -47.2514 -19.3076 -19.3076 -19.3058 -19.3058 -19.1375 -19.1375 -19.1365 -19.1365 -19.1169 -19.1169 -19.1164 -19.1164 -3.4386 -3.4386 -3.1336 -3.1336 0.3012 0.3012 0.5129 0.5129 2.7676 2.7676 3.0512 3.0512 4.3714 4.3714 4.6390 4.6390 6.7485 6.7485 7.0844 7.0844 8.2069 8.2069 8.5284 8.5284 k = 0.0000 0.4868-0.0000 ( 7882 PWs) bands (ev): -47.2517 -47.2517 -47.2515 -47.2515 -19.3072 -19.3072 -19.3062 -19.3062 -19.1373 -19.1373 -19.1368 -19.1368 -19.1168 -19.1168 -19.1166 -19.1166 -3.3616 -3.3616 -3.2087 -3.2087 0.3490 0.3490 0.4557 0.4557 2.8324 2.8324 2.9748 2.9748 4.4386 4.4386 4.5727 4.5727 6.8312 6.8312 6.9995 6.9995 8.2843 8.2843 8.4460 8.4460 k = 0.0000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2849 -3.2849 -3.2849 -3.2849 0.4008 0.4008 0.4008 0.4008 2.9016 2.9016 2.9016 2.9016 4.5058 4.5058 4.5058 4.5058 6.9150 6.9150 6.9150 6.9150 8.3642 8.3642 8.3642 8.3642 k = 0.0000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2849 -3.2849 -3.2849 -3.2849 0.4008 0.4008 0.4008 0.4008 2.9016 2.9016 2.9016 2.9016 4.5058 4.5058 4.5058 4.5058 6.9150 6.9150 6.9150 6.9150 8.3642 8.3642 8.3642 8.3642 k = 0.0132 0.5000-0.0000 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1374 -19.1374 -19.1366 -19.1366 -19.1171 -19.1171 -19.1163 -19.1163 -3.2837 -3.2837 -3.2836 -3.2836 0.4013 0.4013 0.4014 0.4014 2.9022 2.9022 2.9024 2.9024 4.4912 4.4912 4.4915 4.4915 6.9316 6.9316 6.9321 6.9321 8.3508 8.3508 8.3521 8.3521 k = 0.0263 0.5000-0.0000 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3068 -19.3068 -19.3066 -19.3066 -19.1378 -19.1378 -19.1362 -19.1362 -19.1175 -19.1175 -19.1160 -19.1160 -3.2800 -3.2800 -3.2800 -3.2800 0.4031 0.4031 0.4032 0.4032 2.9043 2.9043 2.9046 2.9046 4.4490 4.4490 4.4497 4.4497 6.9804 6.9804 6.9814 6.9814 8.3116 8.3116 8.3134 8.3134 k = 0.0395 0.5000-0.0000 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3068 -19.3068 -19.3066 -19.3066 -19.1382 -19.1382 -19.1357 -19.1357 -19.1179 -19.1179 -19.1156 -19.1156 -3.2738 -3.2738 -3.2738 -3.2738 0.4060 0.4060 0.4060 0.4060 2.9076 2.9076 2.9082 2.9082 4.3826 4.3826 4.3836 4.3836 7.0573 7.0573 7.0589 7.0589 8.2474 8.2474 8.2485 8.2485 k = 0.0526 0.5000-0.0000 ( 7896 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3069 -19.3069 -19.3066 -19.3066 -19.1387 -19.1387 -19.1353 -19.1353 -19.1184 -19.1184 -19.1153 -19.1153 -3.2652 -3.2652 -3.2652 -3.2652 0.4099 0.4099 0.4100 0.4100 2.9122 2.9122 2.9130 2.9130 4.2966 4.2966 4.2979 4.2979 7.1558 7.1558 7.1583 7.1583 8.1642 8.1642 8.1647 8.1647 k = 0.0658 0.5000-0.0000 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3070 -19.3070 -19.3066 -19.3066 -19.1390 -19.1390 -19.1348 -19.1348 -19.1188 -19.1188 -19.1150 -19.1150 -3.2541 -3.2541 -3.2541 -3.2541 0.4148 0.4148 0.4150 0.4150 2.9179 2.9179 2.9190 2.9190 4.1955 4.1955 4.1971 4.1971 7.2670 7.2670 7.2708 7.2708 8.0721 8.0721 8.0748 8.0748 k = 0.0789 0.5000-0.0000 ( 7882 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3070 -19.3070 -19.3066 -19.3066 -19.1394 -19.1394 -19.1344 -19.1344 -19.1193 -19.1193 -19.1147 -19.1147 -3.2407 -3.2407 -3.2407 -3.2407 0.4206 0.4206 0.4208 0.4208 2.9246 2.9246 2.9259 2.9259 4.0837 4.0837 4.0857 4.0857 7.3751 7.3751 7.3810 7.3810 7.9896 7.9896 7.9951 7.9951 k = 0.0921 0.5000-0.0000 ( 7882 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3071 -19.3071 -19.3066 -19.3066 -19.1397 -19.1397 -19.1340 -19.1340 -19.1198 -19.1198 -19.1145 -19.1145 -3.2248 -3.2248 -3.2248 -3.2248 0.4272 0.4272 0.4274 0.4274 2.9319 2.9319 2.9336 2.9336 3.9648 3.9648 3.9674 3.9674 7.4478 7.4478 7.4558 7.4558 7.9505 7.9505 7.9585 7.9585 k = 0.1053 0.5000-0.0000 ( 7874 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3072 -19.3072 -19.3066 -19.3066 -19.1401 -19.1401 -19.1335 -19.1335 -19.1203 -19.1203 -19.1142 -19.1142 -3.2065 -3.2065 -3.2065 -3.2065 0.4343 0.4343 0.4345 0.4345 2.9393 2.9393 2.9415 2.9415 3.8421 3.8421 3.8452 3.8452 7.4441 7.4441 7.4516 7.4516 7.9974 7.9974 8.0050 8.0050 k = 0.1184 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3073 -19.3073 -19.3067 -19.3067 -19.1404 -19.1404 -19.1331 -19.1331 -19.1208 -19.1208 -19.1141 -19.1141 -3.1859 -3.1859 -3.1858 -3.1858 0.4418 0.4418 0.4420 0.4420 2.9463 2.9463 2.9491 2.9491 3.7183 3.7183 3.7221 3.7221 7.3724 7.3724 7.3777 7.3777 8.1171 8.1171 8.1219 8.1219 k = 0.1316 0.5000-0.0000 ( 7862 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3073 -19.3073 -19.3067 -19.3067 -19.1407 -19.1407 -19.1326 -19.1326 -19.1212 -19.1212 -19.1138 -19.1138 -3.1629 -3.1629 -3.1629 -3.1629 0.4493 0.4493 0.4496 0.4496 2.9516 2.9516 2.9553 2.9553 3.5962 3.5962 3.6009 3.6009 7.2683 7.2683 7.2718 7.2718 8.2383 8.2383 8.2387 8.2387 k = 0.1447 0.5000-0.0000 ( 7860 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3074 -19.3074 -19.3067 -19.3067 -19.1409 -19.1409 -19.1322 -19.1322 -19.1217 -19.1217 -19.1137 -19.1137 -3.1376 -3.1376 -3.1376 -3.1376 0.4566 0.4566 0.4569 0.4569 2.9533 2.9533 2.9581 2.9581 3.4792 3.4792 3.4851 3.4851 7.1512 7.1512 7.1534 7.1534 8.2369 8.2369 8.2375 8.2375 k = 0.1579 0.5000-0.0000 ( 7868 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3075 -19.3075 -19.3067 -19.3067 -19.1412 -19.1412 -19.1318 -19.1318 -19.1222 -19.1222 -19.1136 -19.1136 -3.1100 -3.1100 -3.1100 -3.1100 0.4633 0.4633 0.4637 0.4637 2.9474 2.9474 2.9538 2.9538 3.3720 3.3720 3.3795 3.3795 7.0291 7.0291 7.0304 7.0304 8.1876 8.1876 8.1879 8.1879 k = 0.1711 0.5000-0.0000 ( 7868 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3076 -19.3076 -19.3068 -19.3068 -19.1415 -19.1415 -19.1315 -19.1315 -19.1227 -19.1227 -19.1135 -19.1135 -3.0802 -3.0802 -3.0802 -3.0802 0.4690 0.4690 0.4694 0.4694 2.9278 2.9278 2.9358 2.9358 3.2823 3.2823 3.2916 3.2916 6.9057 6.9057 6.9063 6.9063 8.1264 8.1264 8.1267 8.1267 k = 0.1842 0.5000-0.0000 ( 7872 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3077 -19.3077 -19.3069 -19.3069 -19.1417 -19.1417 -19.1312 -19.1312 -19.1231 -19.1231 -19.1134 -19.1134 -3.0483 -3.0483 -3.0483 -3.0483 0.4732 0.4732 0.4736 0.4736 2.8868 2.8868 2.8956 2.8956 3.2194 3.2194 3.2297 3.2297 6.7831 6.7831 6.7831 6.7831 8.0577 8.0577 8.0582 8.0582 k = 0.1974 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3078 -19.3078 -19.3069 -19.3069 -19.1419 -19.1419 -19.1309 -19.1309 -19.1235 -19.1235 -19.1133 -19.1133 -3.0142 -3.0142 -3.0142 -3.0142 0.4753 0.4753 0.4757 0.4757 2.8233 2.8233 2.8316 2.8316 3.1858 3.1858 3.1956 3.1956 6.6621 6.6621 6.6626 6.6626 7.9830 7.9830 7.9836 7.9836 k = 0.2105 0.5000-0.0000 ( 7892 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3079 -19.3079 -19.3070 -19.3070 -19.1421 -19.1421 -19.1307 -19.1307 -19.1239 -19.1239 -19.1134 -19.1134 -2.9781 -2.9781 -2.9781 -2.9781 0.4746 0.4746 0.4750 0.4750 2.7455 2.7455 2.7526 2.7526 3.1732 3.1732 3.1819 3.1819 6.5442 6.5442 6.5452 6.5452 7.9028 7.9028 7.9037 7.9037 k = 0.2237 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3080 -19.3080 -19.3071 -19.3071 -19.1423 -19.1423 -19.1306 -19.1306 -19.1241 -19.1241 -19.1133 -19.1133 -2.9401 -2.9401 -2.9400 -2.9400 0.4705 0.4705 0.4709 0.4709 2.6629 2.6629 2.6690 2.6690 3.1721 3.1721 3.1797 3.1797 6.4304 6.4304 6.4317 6.4317 7.8179 7.8179 7.8191 7.8191 k = 0.2368 0.5000-0.0000 ( 7892 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3081 -19.3081 -19.3072 -19.3072 -19.1424 -19.1424 -19.1306 -19.1306 -19.1243 -19.1243 -19.1134 -19.1134 -2.9001 -2.9001 -2.9001 -2.9001 0.4623 0.4623 0.4627 0.4627 2.5821 2.5821 2.5873 2.5873 3.1764 3.1764 3.1832 3.1832 6.3213 6.3213 6.3230 6.3230 7.7289 7.7289 7.7303 7.7303 k = 0.2500 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3082 -19.3082 -19.3073 -19.3073 -19.1425 -19.1425 -19.1307 -19.1307 -19.1243 -19.1243 -19.1134 -19.1134 -2.8584 -2.8584 -2.8584 -2.8584 0.4493 0.4493 0.4497 0.4497 2.5068 2.5068 2.5113 2.5113 3.1828 3.1828 3.1890 3.1890 6.2176 6.2176 6.2196 6.2196 7.6365 7.6365 7.6381 7.6381 k = 0.2632 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3083 -19.3083 -19.3074 -19.3074 -19.1425 -19.1425 -19.1309 -19.1309 -19.1243 -19.1243 -19.1135 -19.1135 -2.8151 -2.8151 -2.8151 -2.8151 0.4308 0.4308 0.4312 0.4312 2.4394 2.4394 2.4434 2.4434 3.1893 3.1893 3.1952 3.1952 6.1201 6.1201 6.1224 6.1224 7.5412 7.5412 7.5430 7.5430 k = 0.2763 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3083 -19.3083 -19.3075 -19.3075 -19.1426 -19.1426 -19.1311 -19.1311 -19.1241 -19.1241 -19.1136 -19.1136 -2.7703 -2.7703 -2.7703 -2.7703 0.4064 0.4064 0.4069 0.4069 2.3814 2.3814 2.3850 2.3850 3.1947 3.1947 3.2003 3.2003 6.0295 6.0295 6.0321 6.0321 7.4436 7.4436 7.4457 7.4457 k = 0.2895 0.5000-0.0000 ( 7892 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3084 -19.3084 -19.3076 -19.3076 -19.1426 -19.1426 -19.1315 -19.1315 -19.1239 -19.1239 -19.1137 -19.1137 -2.7241 -2.7241 -2.7241 -2.7241 0.3759 0.3759 0.3764 0.3764 2.3337 2.3337 2.3371 2.3371 3.1980 3.1980 3.2033 3.2033 5.9464 5.9464 5.9493 5.9493 7.3444 7.3444 7.3466 7.3466 k = 0.3026 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3085 -19.3085 -19.3076 -19.3076 -19.1426 -19.1426 -19.1319 -19.1319 -19.1237 -19.1237 -19.1138 -19.1138 -2.6768 -2.6768 -2.6768 -2.6768 0.3393 0.3393 0.3398 0.3398 2.2968 2.2968 2.3000 2.3000 3.1982 3.1982 3.2034 3.2034 5.8715 5.8715 5.8747 5.8747 7.2441 7.2441 7.2465 7.2465 k = 0.3158 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3085 -19.3085 -19.3077 -19.3077 -19.1425 -19.1425 -19.1323 -19.1323 -19.1233 -19.1233 -19.1139 -19.1139 -2.6286 -2.6286 -2.6286 -2.6286 0.2969 0.2969 0.2974 0.2974 2.2708 2.2708 2.2739 2.2739 3.1947 3.1947 3.1998 3.1998 5.8055 5.8055 5.8089 5.8089 7.1432 7.1432 7.1458 7.1458 k = 0.3289 0.5000-0.0000 ( 7884 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3086 -19.3086 -19.3078 -19.3078 -19.1425 -19.1425 -19.1328 -19.1328 -19.1230 -19.1230 -19.1141 -19.1141 -2.5798 -2.5798 -2.5798 -2.5798 0.2494 0.2494 0.2498 0.2498 2.2555 2.2555 2.2584 2.2584 3.1870 3.1870 3.1920 3.1920 5.7490 5.7490 5.7526 5.7526 7.0423 7.0423 7.0449 7.0449 k = 0.3421 0.5000-0.0000 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3087 -19.3087 -19.3079 -19.3079 -19.1424 -19.1424 -19.1333 -19.1333 -19.1226 -19.1226 -19.1143 -19.1143 -2.5307 -2.5307 -2.5307 -2.5307 0.1976 0.1976 0.1980 0.1980 2.2502 2.2502 2.2531 2.2531 3.1744 3.1744 3.1793 3.1793 5.7025 5.7025 5.7062 5.7062 6.9416 6.9416 6.9444 6.9444 k = 0.3553 0.5000-0.0000 ( 7898 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3087 -19.3087 -19.3080 -19.3080 -19.1423 -19.1423 -19.1339 -19.1339 -19.1223 -19.1223 -19.1145 -19.1145 -2.4816 -2.4816 -2.4816 -2.4816 0.1426 0.1426 0.1430 0.1430 2.2544 2.2544 2.2572 2.2572 3.1567 3.1567 3.1616 3.1616 5.6663 5.6663 5.6701 5.6701 6.8417 6.8417 6.8446 6.8446 k = 0.3684 0.5000-0.0000 ( 7890 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3081 -19.3081 -19.1421 -19.1421 -19.1344 -19.1344 -19.1219 -19.1219 -19.1148 -19.1148 -2.4331 -2.4331 -2.4331 -2.4331 0.0857 0.0857 0.0860 0.0860 2.2671 2.2671 2.2699 2.2699 3.1338 3.1338 3.1385 3.1385 5.6405 5.6405 5.6445 5.6445 6.7430 6.7430 6.7460 6.7460 k = 0.3816 0.5000-0.0000 ( 7890 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3082 -19.3082 -19.1419 -19.1419 -19.1349 -19.1349 -19.1215 -19.1215 -19.1150 -19.1150 -2.3856 -2.3856 -2.3855 -2.3855 0.0280 0.0280 0.0284 0.0284 2.2874 2.2874 2.2903 2.2903 3.1055 3.1055 3.1102 3.1102 5.6253 5.6253 5.6294 5.6294 6.6459 6.6459 6.6490 6.6490 k = 0.3947 0.5000-0.0000 ( 7906 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3083 -19.3083 -19.1418 -19.1418 -19.1354 -19.1354 -19.1211 -19.1211 -19.1153 -19.1153 -2.3397 -2.3397 -2.3396 -2.3396 -0.0289 -0.0289 -0.0286 -0.0286 2.3146 2.3146 2.3174 2.3174 3.0722 3.0722 3.0768 3.0768 5.6205 5.6205 5.6246 5.6246 6.5507 6.5507 6.5539 6.5539 k = 0.4079 0.5000-0.0000 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3084 -19.3084 -19.1415 -19.1415 -19.1359 -19.1359 -19.1207 -19.1207 -19.1156 -19.1156 -2.2961 -2.2961 -2.2961 -2.2961 -0.0837 -0.0837 -0.0835 -0.0835 2.3477 2.3477 2.3506 2.3506 3.0341 3.0341 3.0385 3.0385 5.6257 5.6257 5.6299 5.6299 6.4578 6.4578 6.4611 6.4611 k = 0.4211 0.5000-0.0000 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3085 -19.3085 -19.1413 -19.1413 -19.1365 -19.1365 -19.1203 -19.1203 -19.1159 -19.1159 -2.2557 -2.2557 -2.2556 -2.2556 -0.1351 -0.1351 -0.1349 -0.1349 2.3859 2.3859 2.3888 2.3888 2.9917 2.9917 2.9960 2.9960 5.6406 5.6406 5.6448 5.6448 6.3675 6.3675 6.3709 6.3709 k = 0.4342 0.5000-0.0000 ( 7918 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3086 -19.3086 -19.1410 -19.1410 -19.1370 -19.1370 -19.1199 -19.1199 -19.1162 -19.1162 -2.2192 -2.2192 -2.2191 -2.2191 -0.1816 -0.1816 -0.1814 -0.1814 2.4284 2.4284 2.4314 2.4314 2.9456 2.9456 2.9498 2.9498 5.6646 5.6646 5.6688 5.6688 6.2803 6.2803 6.2838 6.2838 k = 0.4474 0.5000-0.0000 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3086 -19.3086 -19.1407 -19.1407 -19.1374 -19.1374 -19.1195 -19.1195 -19.1165 -19.1165 -2.1876 -2.1876 -2.1875 -2.1875 -0.2220 -0.2220 -0.2218 -0.2218 2.4746 2.4746 2.4777 2.4777 2.8965 2.8965 2.9006 2.9006 5.6971 5.6971 5.7013 5.7013 6.1965 6.1965 6.2000 6.2000 k = 0.4605 0.5000-0.0000 ( 7924 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3087 -19.3087 -19.1404 -19.1404 -19.1379 -19.1379 -19.1191 -19.1191 -19.1169 -19.1169 -2.1618 -2.1618 -2.1617 -2.1617 -0.2550 -0.2550 -0.2548 -0.2548 2.5237 2.5237 2.5269 2.5269 2.8450 2.8450 2.8489 2.8489 5.7375 5.7375 5.7415 5.7415 6.1166 6.1166 6.1202 6.1202 k = 0.4737 0.5000-0.0000 ( 7908 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3089 -19.3089 -19.3088 -19.3088 -19.1400 -19.1400 -19.1384 -19.1384 -19.1187 -19.1187 -19.1172 -19.1172 -2.1426 -2.1426 -2.1426 -2.1426 -0.2794 -0.2794 -0.2793 -0.2793 2.5751 2.5751 2.5784 2.5784 2.7919 2.7919 2.7957 2.7957 5.7849 5.7849 5.7888 5.7888 6.0411 6.0411 6.0447 6.0447 k = 0.4868 0.5000-0.0000 ( 7884 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1396 -19.1396 -19.1388 -19.1388 -19.1182 -19.1182 -19.1175 -19.1175 -2.1308 -2.1308 -2.1308 -2.1308 -0.2944 -0.2944 -0.2944 -0.2944 2.6279 2.6279 2.6313 2.6313 2.7381 2.7381 2.7417 2.7417 5.8380 5.8380 5.8418 5.8418 5.9712 5.9712 5.9749 5.9749 k = 0.5000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1391 -19.1391 -19.1391 -19.1391 -19.1179 -19.1179 -19.1179 -19.1179 -2.1268 -2.1268 -2.1268 -2.1268 -0.2995 -0.2995 -0.2995 -0.2995 2.6753 2.6753 2.6753 2.6753 2.6939 2.6939 2.6939 2.6939 5.8836 5.8836 5.8836 5.8836 5.9238 5.9238 5.9238 5.9238 k = 0.5000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1391 -19.1391 -19.1391 -19.1391 -19.1179 -19.1179 -19.1179 -19.1179 -2.1268 -2.1268 -2.1268 -2.1268 -0.2995 -0.2995 -0.2995 -0.2995 2.6753 2.6753 2.6753 2.6753 2.6939 2.6939 2.6939 2.6939 5.8836 5.8836 5.8836 5.8836 5.9238 5.9238 5.9238 5.9238 k = 0.4907 0.4907-0.0000 ( 7892 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1396 -19.1396 -19.1388 -19.1388 -19.1183 -19.1183 -19.1175 -19.1175 -2.1347 -2.1347 -2.1268 -2.1268 -0.2981 -0.2981 -0.2908 -0.2908 2.6073 2.6073 2.6769 2.6769 2.6928 2.6928 2.7620 2.7620 5.8151 5.8151 5.8851 5.8851 5.9279 5.9279 5.9978 5.9978 k = 0.4815 0.4815-0.0000 ( 7916 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3089 -19.3089 -19.3088 -19.3088 -19.1400 -19.1400 -19.1384 -19.1384 -19.1187 -19.1187 -19.1172 -19.1172 -2.1581 -2.1581 -2.1266 -2.1266 -0.2939 -0.2939 -0.2654 -0.2654 2.5313 2.5313 2.6806 2.6806 2.6907 2.6907 2.8385 2.8385 5.7357 5.7357 5.8890 5.8890 5.9409 5.9409 6.0935 6.0935 k = 0.4722 0.4722-0.0000 ( 7928 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3090 -19.3090 -19.3087 -19.3087 -19.1404 -19.1404 -19.1379 -19.1379 -19.1191 -19.1191 -19.1169 -19.1169 -2.1955 -2.1955 -2.1264 -2.1264 -0.2868 -0.2868 -0.2244 -0.2244 2.4560 2.4560 2.6867 2.6867 2.6875 2.6875 2.9146 2.9146 5.6619 5.6619 5.8954 5.8954 5.9624 5.9624 6.1945 6.1945 k = 0.4630 0.4630-0.0000 ( 7924 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3090 -19.3090 -19.3086 -19.3086 -19.1407 -19.1407 -19.1375 -19.1375 -19.1195 -19.1195 -19.1166 -19.1166 -2.2451 -2.2451 -2.1262 -2.1262 -0.2770 -0.2770 -0.1700 -0.1700 2.3817 2.3817 2.6822 2.6822 2.6957 2.6957 2.9902 2.9902 5.5947 5.5947 5.9045 5.9045 5.9925 5.9925 6.3001 6.3001 k = 0.4537 0.4537-0.0000 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3091 -19.3091 -19.3085 -19.3085 -19.1410 -19.1410 -19.1370 -19.1370 -19.1199 -19.1199 -19.1162 -19.1162 -2.3050 -2.3050 -2.1260 -2.1260 -0.2644 -0.2644 -0.1041 -0.1041 2.3089 2.3089 2.6758 2.6758 2.7070 2.7070 3.0648 3.0648 5.5347 5.5347 5.9162 5.9162 6.0309 6.0309 6.4097 6.4097 k = 0.4444 0.4444-0.0000 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3091 -19.3091 -19.3083 -19.3083 -19.1413 -19.1413 -19.1365 -19.1365 -19.1203 -19.1203 -19.1159 -19.1159 -2.3730 -2.3730 -2.1257 -2.1257 -0.2490 -0.2490 -0.0291 -0.0291 2.2377 2.2377 2.6679 2.6679 2.7209 2.7209 3.1383 3.1383 5.4823 5.4823 5.9305 5.9305 6.0777 6.0777 6.5230 6.5230 k = 0.4352 0.4352-0.0000 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3092 -19.3092 -19.3081 -19.3081 -19.1416 -19.1416 -19.1360 -19.1360 -19.1207 -19.1207 -19.1156 -19.1156 -2.4475 -2.4475 -2.1256 -2.1256 -0.2307 -0.2307 0.0531 0.0531 2.1687 2.1687 2.6585 2.6585 2.7372 2.7372 3.2104 3.2104 5.4380 5.4380 5.9473 5.9473 6.1326 6.1326 6.6396 6.6396 k = 0.4259 0.4259-0.0000 ( 7904 PWs) bands (ev): -47.2516 -47.2516 -47.2514 -47.2514 -19.3093 -19.3093 -19.3079 -19.3079 -19.1418 -19.1418 -19.1354 -19.1354 -19.1211 -19.1211 -19.1153 -19.1153 -2.5269 -2.5269 -2.1256 -2.1256 -0.2097 -0.2097 0.1406 0.1406 2.1019 2.1019 2.6478 2.6478 2.7560 2.7560 3.2811 3.2811 5.4022 5.4022 5.9668 5.9668 6.1953 6.1953 6.7593 6.7593 k = 0.4167 0.4167-0.0000 ( 7900 PWs) bands (ev): -47.2516 -47.2516 -47.2513 -47.2513 -19.3093 -19.3093 -19.3077 -19.3077 -19.1420 -19.1420 -19.1349 -19.1349 -19.1215 -19.1215 -19.1150 -19.1150 -2.6098 -2.6098 -2.1259 -2.1259 -0.1859 -0.1859 0.2320 0.2320 2.0379 2.0379 2.6359 2.6359 2.7774 2.7774 3.3501 3.3501 5.3753 5.3753 5.9888 5.9888 6.2658 6.2658 6.8818 6.8818 k = 0.4074 0.4074-0.0000 ( 7890 PWs) bands (ev): -47.2516 -47.2516 -47.2513 -47.2513 -19.3094 -19.3094 -19.3075 -19.3075 -19.1421 -19.1421 -19.1343 -19.1343 -19.1219 -19.1219 -19.1148 -19.1148 -2.6953 -2.6953 -2.1264 -2.1264 -0.1593 -0.1593 0.3256 0.3256 1.9767 1.9767 2.6232 2.6232 2.8012 2.8012 3.4176 3.4176 5.3577 5.3577 6.0134 6.0134 6.3435 6.3435 7.0068 7.0068 k = 0.3981 0.3981-0.0000 ( 7896 PWs) bands (ev): -47.2517 -47.2517 -47.2513 -47.2513 -19.3095 -19.3095 -19.3072 -19.3072 -19.1423 -19.1423 -19.1338 -19.1338 -19.1223 -19.1223 -19.1145 -19.1145 -2.7825 -2.7825 -2.1272 -2.1272 -0.1299 -0.1299 0.4202 0.4202 1.9187 1.9187 2.6099 2.6099 2.8275 2.8275 3.4834 3.4834 5.3495 5.3495 6.0405 6.0405 6.4283 6.4283 7.1341 7.1341 k = 0.3889 0.3889-0.0000 ( 7896 PWs) bands (ev): -47.2517 -47.2517 -47.2512 -47.2512 -19.3096 -19.3096 -19.3069 -19.3069 -19.1425 -19.1425 -19.1333 -19.1333 -19.1227 -19.1227 -19.1143 -19.1143 -2.8707 -2.8707 -2.1286 -2.1286 -0.0978 -0.0978 0.5145 0.5145 1.8642 1.8642 2.5966 2.5966 2.8563 2.8563 3.5475 3.5475 5.3510 5.3510 6.0703 6.0703 6.5196 6.5196 7.2634 7.2634 k = 0.3796 0.3796-0.0000 ( 7900 PWs) bands (ev): -47.2518 -47.2518 -47.2512 -47.2512 -19.3097 -19.3097 -19.3067 -19.3067 -19.1426 -19.1426 -19.1327 -19.1327 -19.1230 -19.1230 -19.1141 -19.1141 -2.9594 -2.9594 -2.1304 -2.1304 -0.0628 -0.0628 0.6072 0.6072 1.8133 1.8133 2.5841 2.5841 2.8875 2.8875 3.6099 3.6099 5.3622 5.3622 6.1026 6.1026 6.6170 6.6170 7.3946 7.3946 k = 0.3704 0.3704-0.0000 ( 7896 PWs) bands (ev): -47.2518 -47.2518 -47.2512 -47.2512 -19.3099 -19.3099 -19.3063 -19.3063 -19.1427 -19.1427 -19.1322 -19.1322 -19.1234 -19.1234 -19.1139 -19.1139 -3.0481 -3.0481 -2.1328 -2.1328 -0.0252 -0.0252 0.6972 0.6972 1.7664 1.7664 2.5732 2.5732 2.9213 2.9213 3.6708 3.6708 5.3832 5.3832 6.1374 6.1374 6.7200 6.7200 7.5272 7.5272 k = 0.3611 0.3611-0.0000 ( 7892 PWs) bands (ev): -47.2519 -47.2519 -47.2511 -47.2511 -19.3100 -19.3100 -19.3059 -19.3059 -19.1427 -19.1427 -19.1316 -19.1316 -19.1238 -19.1238 -19.1137 -19.1137 -3.1364 -3.1364 -2.1360 -2.1360 0.0153 0.0153 0.7830 0.7830 1.7236 1.7236 2.5650 2.5650 2.9574 2.9574 3.7301 3.7301 5.4140 5.4140 6.1748 6.1748 6.8280 6.8280 7.6612 7.6612 k = 0.3519 0.3519-0.0000 ( 7886 PWs) bands (ev): -47.2519 -47.2519 -47.2511 -47.2511 -19.3102 -19.3102 -19.3056 -19.3056 -19.1428 -19.1428 -19.1311 -19.1311 -19.1241 -19.1241 -19.1136 -19.1136 -3.2241 -3.2241 -2.1398 -2.1398 0.0585 0.0585 0.8632 0.8632 1.6851 1.6851 2.5607 2.5607 2.9961 2.9961 3.7879 3.7879 5.4544 5.4544 6.2147 6.2147 6.9404 6.9404 7.7962 7.7962 k = 0.3426 0.3426-0.0000 ( 7886 PWs) bands (ev): -47.2520 -47.2520 -47.2510 -47.2510 -19.3103 -19.3103 -19.3052 -19.3052 -19.1428 -19.1428 -19.1306 -19.1306 -19.1244 -19.1244 -19.1134 -19.1134 -3.3109 -3.3109 -2.1446 -2.1446 0.1044 0.1044 0.9366 0.9366 1.6511 1.6511 2.5617 2.5617 3.0371 3.0371 3.8443 3.8443 5.5043 5.5043 6.2572 6.2572 7.0565 7.0565 7.9318 7.9318 k = 0.3333 0.3333-0.0000 ( 7898 PWs) bands (ev): -47.2520 -47.2520 -47.2510 -47.2510 -19.3105 -19.3105 -19.3048 -19.3048 -19.1429 -19.1429 -19.1302 -19.1302 -19.1246 -19.1246 -19.1133 -19.1133 -3.3965 -3.3965 -2.1502 -2.1502 0.1530 0.1530 1.0016 1.0016 1.6218 1.6218 2.5694 2.5694 3.0805 3.0805 3.8993 3.8993 5.5636 5.5636 6.3021 6.3021 7.1753 7.1753 8.0676 8.0676 k = 0.3241 0.3241-0.0000 ( 7898 PWs) bands (ev): -47.2521 -47.2521 -47.2509 -47.2509 -19.3107 -19.3107 -19.3044 -19.3044 -19.1429 -19.1429 -19.1298 -19.1298 -19.1248 -19.1248 -19.1132 -19.1132 -3.4808 -3.4808 -2.1567 -2.1567 0.2043 0.2043 1.0570 1.0570 1.5972 1.5972 2.5851 2.5851 3.1264 3.1264 3.9530 3.9530 5.6318 5.6318 6.3496 6.3496 7.2960 7.2960 8.2032 8.2032 k = 0.3148 0.3148-0.0000 ( 7894 PWs) bands (ev): -47.2522 -47.2522 -47.2509 -47.2509 -19.3108 -19.3108 -19.3040 -19.3040 -19.1428 -19.1428 -19.1295 -19.1295 -19.1249 -19.1249 -19.1131 -19.1131 -3.5636 -3.5636 -2.1642 -2.1642 0.2583 0.2583 1.1019 1.1019 1.5776 1.5776 2.6099 2.6099 3.1746 3.1746 4.0055 4.0055 5.7089 5.7089 6.3995 6.3995 7.4174 7.4174 8.3379 8.3379 k = 0.3056 0.3056-0.0000 ( 7894 PWs) bands (ev): -47.2522 -47.2522 -47.2508 -47.2508 -19.3110 -19.3110 -19.3036 -19.3036 -19.1428 -19.1428 -19.1294 -19.1294 -19.1248 -19.1248 -19.1130 -19.1130 -3.6448 -3.6448 -2.1727 -2.1727 0.3150 0.3150 1.1358 1.1358 1.5629 1.5629 2.6444 2.6444 3.2252 3.2252 4.0567 4.0567 5.7943 5.7943 6.4520 6.4520 7.5382 7.5382 8.4705 8.4705 k = 0.2963 0.2963-0.0000 ( 7890 PWs) bands (ev): -47.2523 -47.2523 -47.2508 -47.2508 -19.3112 -19.3112 -19.3031 -19.3031 -19.1427 -19.1427 -19.1293 -19.1293 -19.1247 -19.1247 -19.1129 -19.1129 -3.7243 -3.7243 -2.1822 -2.1822 0.3744 0.3744 1.1587 1.1587 1.5533 1.5533 2.6888 2.6888 3.2782 3.2782 4.1067 4.1067 5.8878 5.8878 6.5068 6.5068 7.6571 7.6571 8.5997 8.5997 k = 0.2870 0.2870-0.0000 ( 7894 PWs) bands (ev): -47.2524 -47.2524 -47.2507 -47.2507 -19.3114 -19.3114 -19.3026 -19.3026 -19.1426 -19.1426 -19.1294 -19.1294 -19.1244 -19.1244 -19.1129 -19.1129 -3.8019 -3.8019 -2.1928 -2.1928 0.4364 0.4364 1.1710 1.1710 1.5488 1.5488 2.7428 2.7428 3.3334 3.3334 4.1555 4.1555 5.9890 5.9890 6.5641 6.5641 7.7722 7.7722 8.7227 8.7227 k = 0.2778 0.2778-0.0000 ( 7890 PWs) bands (ev): -47.2524 -47.2524 -47.2507 -47.2507 -19.3115 -19.3115 -19.3022 -19.3022 -19.1425 -19.1425 -19.1295 -19.1295 -19.1240 -19.1240 -19.1128 -19.1128 -3.8776 -3.8776 -2.2043 -2.2043 0.5011 0.5011 1.1738 1.1738 1.5494 1.5494 2.8056 2.8056 3.3909 3.3909 4.2030 4.2030 6.0975 6.0975 6.6238 6.6238 7.8816 7.8816 8.8353 8.8353 k = 0.2685 0.2685-0.0000 ( 7888 PWs) bands (ev): -47.2525 -47.2525 -47.2506 -47.2506 -19.3117 -19.3117 -19.3017 -19.3017 -19.1424 -19.1424 -19.1297 -19.1297 -19.1236 -19.1236 -19.1128 -19.1128 -3.9514 -3.9514 -2.2167 -2.2167 0.5683 0.5683 1.1683 1.1683 1.5551 1.5551 2.8762 2.8762 3.4507 3.4507 4.2492 4.2492 6.2127 6.2127 6.6859 6.6859 7.9834 7.9834 8.9305 8.9305 k = 0.2593 0.2593-0.0000 ( 7876 PWs) bands (ev): -47.2526 -47.2526 -47.2506 -47.2506 -19.3119 -19.3119 -19.3012 -19.3012 -19.1423 -19.1423 -19.1299 -19.1299 -19.1231 -19.1231 -19.1127 -19.1127 -4.0230 -4.0230 -2.2300 -2.2300 0.6381 0.6381 1.1557 1.1557 1.5659 1.5659 2.9536 2.9536 3.5127 3.5127 4.2940 4.2940 6.3340 6.3340 6.7503 6.7503 8.0754 8.0754 8.9984 8.9984 k = 0.2500 0.2500-0.0000 ( 7882 PWs) bands (ev): -47.2526 -47.2526 -47.2505 -47.2505 -19.3120 -19.3120 -19.3007 -19.3007 -19.1422 -19.1422 -19.1301 -19.1301 -19.1227 -19.1227 -19.1128 -19.1128 -4.0926 -4.0926 -2.2442 -2.2442 0.7104 0.7104 1.1373 1.1373 1.5817 1.5817 3.0367 3.0367 3.5769 3.5769 4.3375 4.3375 6.4610 6.4610 6.8170 6.8170 8.1559 8.1559 8.9142 8.9142 k = 0.2407 0.2407-0.0000 ( 7876 PWs) bands (ev): -47.2527 -47.2527 -47.2505 -47.2505 -19.3122 -19.3122 -19.3002 -19.3002 -19.1420 -19.1420 -19.1304 -19.1304 -19.1221 -19.1221 -19.1127 -19.1127 -4.1599 -4.1599 -2.2591 -2.2591 0.7853 0.7853 1.1143 1.1143 1.6025 1.6025 3.1245 3.1245 3.6432 3.6432 4.3794 4.3794 6.5928 6.5928 6.8860 6.8860 8.2231 8.2231 8.7081 8.7081 k = 0.2315 0.2315-0.0000 ( 7880 PWs) bands (ev): -47.2528 -47.2528 -47.2504 -47.2504 -19.3124 -19.3124 -19.2997 -19.2997 -19.1419 -19.1419 -19.1307 -19.1307 -19.1216 -19.1216 -19.1127 -19.1127 -4.2250 -4.2250 -2.2747 -2.2747 0.8626 0.8626 1.0878 1.0878 1.6281 1.6281 3.2162 3.2162 3.7116 3.7116 4.4196 4.4196 6.7285 6.7285 6.9572 6.9572 8.2744 8.2744 8.5042 8.5042 k = 0.2222 0.2222-0.0000 ( 7880 PWs) bands (ev): -47.2528 -47.2528 -47.2504 -47.2504 -19.3126 -19.3126 -19.2992 -19.2992 -19.1418 -19.1418 -19.1310 -19.1310 -19.1211 -19.1211 -19.1128 -19.1128 -4.2878 -4.2878 -2.2908 -2.2908 0.9423 0.9423 1.0586 1.0586 1.6584 1.6584 3.3111 3.3111 3.7821 3.7821 4.4581 4.4581 6.8669 6.8669 7.0306 7.0306 8.2977 8.2977 8.3075 8.3075 k = 0.2130 0.2130-0.0000 ( 7872 PWs) bands (ev): -47.2529 -47.2529 -47.2503 -47.2503 -19.3128 -19.3128 -19.2988 -19.2988 -19.1416 -19.1416 -19.1312 -19.1312 -19.1206 -19.1206 -19.1128 -19.1128 -4.3483 -4.3483 -2.3073 -2.3073 1.0231 1.0231 1.0290 1.0290 1.6933 1.6933 3.4085 3.4085 3.8545 3.8545 4.4948 4.4948 7.0065 7.0065 7.1060 7.1060 8.1030 8.1030 8.2780 8.2780 k = 0.2037 0.2037-0.0000 ( 7868 PWs) bands (ev): -47.2530 -47.2530 -47.2503 -47.2503 -19.3129 -19.3129 -19.2983 -19.2983 -19.1415 -19.1415 -19.1315 -19.1315 -19.1200 -19.1200 -19.1128 -19.1128 -4.4064 -4.4064 -2.3242 -2.3242 0.9952 0.9952 1.1090 1.1090 1.7327 1.7327 3.5081 3.5081 3.9288 3.9288 4.5294 4.5294 7.1452 7.1452 7.1835 7.1835 7.9063 7.9063 8.1629 8.1629 k = 0.1944 0.1944-0.0000 ( 7873 PWs) bands (ev): -47.2530 -47.2530 -47.2502 -47.2502 -19.3131 -19.3131 -19.2978 -19.2978 -19.1413 -19.1413 -19.1317 -19.1317 -19.1196 -19.1196 -19.1128 -19.1128 -4.4622 -4.4622 -2.3413 -2.3413 0.9622 0.9622 1.1957 1.1957 1.7763 1.7763 3.6094 3.6094 4.0049 4.0049 4.5617 4.5617 7.2629 7.2629 7.2801 7.2801 7.7122 7.7122 8.0027 8.0027 k = 0.1852 0.1852-0.0000 ( 7871 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3133 -19.3133 -19.2974 -19.2974 -19.1412 -19.1412 -19.1320 -19.1320 -19.1191 -19.1191 -19.1129 -19.1129 -4.5155 -4.5155 -2.3586 -2.3586 0.9290 0.9290 1.2847 1.2847 1.8241 1.8241 3.7121 3.7121 4.0827 4.0827 4.5918 4.5918 7.3438 7.3438 7.4070 7.4070 7.5210 7.5210 7.8326 7.8326 k = 0.1759 0.1759-0.0000 ( 7869 PWs) bands (ev): -47.2531 -47.2531 -47.2501 -47.2501 -19.3134 -19.3134 -19.2969 -19.2969 -19.1411 -19.1411 -19.1322 -19.1322 -19.1186 -19.1186 -19.1129 -19.1129 -4.5664 -4.5664 -2.3758 -2.3758 0.8959 0.8959 1.3757 1.3757 1.8757 1.8757 3.8160 3.8160 4.1621 4.1621 4.6192 4.6192 7.3305 7.3305 7.4286 7.4286 7.5205 7.5205 7.6618 7.6618 k = 0.1667 0.1667-0.0000 ( 7873 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3136 -19.3136 -19.2965 -19.2965 -19.1410 -19.1410 -19.1324 -19.1324 -19.1181 -19.1181 -19.1130 -19.1130 -4.6147 -4.6147 -2.3929 -2.3929 0.8632 0.8632 1.4687 1.4687 1.9309 1.9309 3.9208 3.9208 4.2429 4.2429 4.6439 4.6439 7.1454 7.1454 7.4925 7.4925 7.5133 7.5133 7.6138 7.6138 k = 0.1574 0.1574-0.0000 ( 7869 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3137 -19.3137 -19.2961 -19.2961 -19.1408 -19.1408 -19.1326 -19.1326 -19.1176 -19.1176 -19.1130 -19.1130 -4.6606 -4.6606 -2.4097 -2.4097 0.8313 0.8313 1.5636 1.5636 1.9896 1.9896 4.0262 4.0262 4.3250 4.3250 4.6656 4.6656 6.9626 6.9626 7.3285 7.3285 7.5986 7.5986 7.6802 7.6802 k = 0.1481 0.1481-0.0000 ( 7867 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3139 -19.3139 -19.2956 -19.2956 -19.1408 -19.1408 -19.1328 -19.1328 -19.1172 -19.1172 -19.1131 -19.1131 -4.7040 -4.7040 -2.4262 -2.4262 0.8003 0.8003 1.6603 1.6603 2.0515 2.0515 4.1322 4.1322 4.4082 4.4082 4.6841 4.6841 6.7830 6.7830 7.1683 7.1683 7.6860 7.6860 7.7162 7.7162 k = 0.1389 0.1389-0.0000 ( 7881 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3140 -19.3140 -19.2953 -19.2953 -19.1407 -19.1407 -19.1330 -19.1330 -19.1168 -19.1168 -19.1132 -19.1132 -4.7448 -4.7448 -2.4422 -2.4422 0.7705 0.7705 1.7584 1.7584 2.1161 2.1161 4.2383 4.2383 4.4922 4.4922 4.6992 4.6992 6.6068 6.6068 7.0136 7.0136 7.7228 7.7228 7.7745 7.7745 k = 0.1296 0.1296-0.0000 ( 7865 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3141 -19.3141 -19.2949 -19.2949 -19.1405 -19.1405 -19.1331 -19.1331 -19.1164 -19.1164 -19.1132 -19.1132 -4.7831 -4.7831 -2.4577 -2.4577 0.7420 0.7420 1.8580 1.8580 2.1833 2.1833 4.3445 4.3445 4.5767 4.5767 4.7106 4.7106 6.4342 6.4342 6.8648 6.8648 7.7047 7.7047 7.8637 7.8637 k = 0.1204 0.1204-0.0000 ( 7875 PWs) bands (ev): -47.2535 -47.2535 -47.2499 -47.2499 -19.3142 -19.3142 -19.2946 -19.2946 -19.1405 -19.1405 -19.1332 -19.1332 -19.1161 -19.1161 -19.1133 -19.1133 -4.8188 -4.8188 -2.4725 -2.4725 0.7150 0.7150 1.9586 1.9586 2.2525 2.2525 4.4503 4.4503 4.6609 4.6609 4.7185 4.7185 6.2655 6.2655 6.7229 6.7229 7.6678 7.6678 7.9534 7.9534 k = 0.1111 0.1111-0.0000 ( 7877 PWs) bands (ev): -47.2535 -47.2535 -47.2498 -47.2498 -19.3144 -19.3144 -19.2942 -19.2942 -19.1404 -19.1404 -19.1333 -19.1333 -19.1158 -19.1158 -19.1133 -19.1133 -4.8519 -4.8519 -2.4866 -2.4866 0.6895 0.6895 2.0599 2.0599 2.3234 2.3234 4.5555 4.5555 4.7171 4.7171 4.7499 4.7499 6.1011 6.1011 6.5885 6.5885 7.6171 7.6171 8.0432 8.0432 k = 0.1019 0.1019-0.0000 ( 7873 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3144 -19.3144 -19.2939 -19.2939 -19.1403 -19.1403 -19.1334 -19.1334 -19.1155 -19.1155 -19.1134 -19.1134 -4.8824 -4.8824 -2.4998 -2.4998 0.6658 0.6658 2.1615 2.1615 2.3954 2.3954 4.6589 4.6589 4.7180 4.7180 4.8323 4.8323 5.9414 5.9414 6.4625 6.4625 7.5567 7.5567 8.1325 8.1325 k = 0.0926 0.0926-0.0000 ( 7887 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3146 -19.3146 -19.2937 -19.2937 -19.1403 -19.1403 -19.1335 -19.1335 -19.1152 -19.1152 -19.1135 -19.1135 -4.9102 -4.9102 -2.5122 -2.5122 0.6438 0.6438 2.2629 2.2629 2.4679 2.4679 4.7084 4.7084 4.7645 4.7645 4.9151 4.9151 5.7869 5.7869 6.3457 6.3457 7.4896 7.4896 8.2209 8.2209 k = 0.0833 0.0833-0.0000 ( 7889 PWs) bands (ev): -47.2536 -47.2536 -47.2497 -47.2497 -19.3147 -19.3147 -19.2934 -19.2934 -19.1403 -19.1403 -19.1336 -19.1336 -19.1149 -19.1149 -19.1135 -19.1135 -4.9355 -4.9355 -2.5236 -2.5236 0.6238 0.6238 2.3634 2.3634 2.5401 2.5401 4.6975 4.6975 4.8642 4.8642 4.9963 4.9963 5.6384 5.6384 6.2390 6.2390 7.4180 7.4180 8.2396 8.2396 k = 0.0741 0.0741-0.0000 ( 7883 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3147 -19.3147 -19.2931 -19.2931 -19.1403 -19.1403 -19.1336 -19.1336 -19.1147 -19.1147 -19.1136 -19.1136 -4.9581 -4.9581 -2.5339 -2.5339 0.6057 0.6057 2.4620 2.4620 2.6112 2.6112 4.6808 4.6808 4.9616 4.9616 5.0749 5.0749 5.4967 5.4967 6.1432 6.1432 7.3442 7.3442 8.1294 8.1294 k = 0.0648 0.0648-0.0000 ( 7855 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3147 -19.3147 -19.2929 -19.2929 -19.1402 -19.1402 -19.1336 -19.1336 -19.1144 -19.1144 -19.1136 -19.1136 -4.9781 -4.9781 -2.5432 -2.5432 0.5896 0.5896 2.5577 2.5577 2.6800 2.6800 4.6596 4.6596 5.0552 5.0552 5.1498 5.1498 5.3630 5.3630 6.0589 6.0589 7.2699 7.2699 8.0264 8.0264 k = 0.0556 0.0556-0.0000 ( 7865 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3148 -19.3148 -19.2927 -19.2927 -19.1402 -19.1402 -19.1336 -19.1336 -19.1143 -19.1143 -19.1136 -19.1136 -4.9954 -4.9954 -2.5513 -2.5513 0.5755 0.5755 2.6489 2.6489 2.7452 2.7452 4.6349 4.6349 5.1433 5.1433 5.2199 5.2199 5.2389 5.2389 5.9865 5.9865 7.1972 7.1972 7.9320 7.9320 k = 0.0463 0.0463-0.0000 ( 7861 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3148 -19.3148 -19.2926 -19.2926 -19.1401 -19.1401 -19.1336 -19.1336 -19.1141 -19.1141 -19.1136 -19.1136 -5.0101 -5.0101 -2.5582 -2.5582 0.5635 0.5635 2.7337 2.7337 2.8054 2.8054 4.6081 4.6081 5.1263 5.1263 5.2243 5.2243 5.2837 5.2837 5.9262 5.9262 7.1283 7.1283 7.8478 7.8478 k = 0.0370 0.0370-0.0000 ( 7869 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2924 -19.2924 -19.1401 -19.1401 -19.1337 -19.1337 -19.1141 -19.1141 -19.1136 -19.1136 -5.0221 -5.0221 -2.5640 -2.5640 0.5537 0.5537 2.8096 2.8096 2.8586 2.8586 4.5812 4.5812 5.0275 5.0275 5.2958 5.2958 5.3399 5.3399 5.8776 5.8776 7.0657 7.0657 7.7753 7.7753 k = 0.0278 0.0278-0.0000 ( 7871 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2923 -19.2923 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1136 -19.1136 -5.0315 -5.0315 -2.5685 -2.5685 0.5460 0.5460 2.8738 2.8738 2.9030 2.9030 4.5566 4.5566 4.9456 4.9456 5.3550 5.3550 5.3870 5.3870 5.8406 5.8406 7.0123 7.0123 7.7164 7.7164 k = 0.0185 0.0185-0.0000 ( 7877 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2923 -19.2923 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1136 -19.1136 -5.0382 -5.0382 -2.5717 -2.5717 0.5405 0.5405 2.9230 2.9230 2.9366 2.9366 4.5367 4.5367 4.8838 4.8838 5.3986 5.3986 5.4238 5.4238 5.8146 5.8146 6.9711 6.9711 7.6728 7.6728 k = 0.0093 0.0093-0.0000 ( 7869 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0422 -5.0422 -2.5736 -2.5736 0.5372 0.5372 2.9541 2.9541 2.9576 2.9576 4.5237 4.5237 4.8451 4.8451 5.4247 5.4247 5.4479 5.4479 5.7993 5.7993 6.9449 6.9449 7.6459 7.6459 k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0435 -5.0435 -2.5743 -2.5743 0.5361 0.5361 2.9647 2.9647 2.9648 2.9648 4.5192 4.5192 4.8319 4.8319 5.4333 5.4333 5.4565 5.4565 5.7942 5.7942 6.9359 6.9359 7.6368 7.6368 k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0435 -5.0435 -2.5743 -2.5743 0.5361 0.5361 2.9647 2.9647 2.9648 2.9648 4.5192 4.5192 4.8319 4.8319 5.4333 5.4333 5.4565 5.4565 5.7942 5.7942 6.9359 6.9359 7.6368 7.6368 k = 0.0000 0.0000 0.0127 ( 7877 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0432 -5.0432 -2.5758 -2.5758 0.5401 0.5401 2.9648 2.9648 2.9649 2.9649 4.5109 4.5109 4.8321 4.8321 5.4324 5.4324 5.4556 5.4556 5.7904 5.7904 6.9492 6.9492 7.6351 7.6351 k = 0.0000 0.0000 0.0255 ( 7873 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0423 -5.0423 -2.5804 -2.5804 0.5519 0.5519 2.9652 2.9652 2.9653 2.9653 4.4863 4.4863 4.8329 4.8329 5.4298 5.4298 5.4530 5.4530 5.7800 5.7800 6.9881 6.9881 7.6299 7.6299 k = 0.0000 0.0000 0.0382 ( 7853 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2921 -19.2921 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1135 -19.1135 -5.0408 -5.0408 -2.5879 -2.5879 0.5714 0.5714 2.9658 2.9658 2.9660 2.9660 4.4460 4.4460 4.8342 4.8342 5.4255 5.4255 5.4487 5.4487 5.7651 5.7651 7.0495 7.0495 7.6215 7.6215 k = 0.0000 0.0000 0.0509 ( 7833 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2921 -19.2921 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1134 -19.1134 -5.0387 -5.0387 -2.5982 -2.5982 0.5985 0.5985 2.9667 2.9667 2.9669 2.9669 4.3913 4.3913 4.8359 4.8359 5.4196 5.4196 5.4428 5.4428 5.7483 5.7483 7.1296 7.1296 7.6101 7.6101 k = 0.0000 0.0000 0.0637 ( 7845 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2921 -19.2921 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1135 -19.1135 -5.0361 -5.0361 -2.6109 -2.6109 0.6327 0.6327 2.9678 2.9678 2.9680 2.9680 4.3236 4.3236 4.8381 4.8381 5.4123 5.4123 5.4355 5.4355 5.7318 5.7318 7.2245 7.2245 7.5959 7.5959 k = 0.0000 0.0000 0.0764 ( 7845 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2921 -19.2921 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1135 -19.1135 -5.0331 -5.0331 -2.6258 -2.6258 0.6738 0.6738 2.9691 2.9691 2.9693 2.9693 4.2448 4.2448 4.8408 4.8408 5.4037 5.4037 5.4269 5.4269 5.7171 5.7171 7.3307 7.3307 7.5795 7.5795 k = 0.0000 0.0000 0.0892 ( 7845 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2921 -19.2921 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1135 -19.1135 -5.0296 -5.0296 -2.6424 -2.6424 0.7212 0.7212 2.9706 2.9706 2.9708 2.9708 4.1566 4.1566 4.8437 4.8437 5.3941 5.3941 5.4173 5.4173 5.7049 5.7049 7.4452 7.4452 7.5611 7.5611 k = 0.0000 0.0000 0.1019 ( 7872 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1338 -19.1338 -19.1140 -19.1140 -19.1135 -19.1135 -5.0257 -5.0257 -2.6604 -2.6604 0.7746 0.7746 2.9722 2.9722 2.9725 2.9725 4.0610 4.0610 4.8470 4.8470 5.3837 5.3837 5.4068 5.4068 5.6955 5.6955 7.5412 7.5412 7.5655 7.5655 k = 0.0000 0.0000 0.1146 ( 7872 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1338 -19.1338 -19.1140 -19.1140 -19.1135 -19.1135 -5.0215 -5.0215 -2.6794 -2.6794 0.8334 0.8334 2.9740 2.9740 2.9743 2.9743 3.9596 3.9596 4.8505 4.8505 5.3726 5.3726 5.3957 5.3957 5.6888 5.6888 7.5204 7.5204 7.6893 7.6893 k = 0.0000 0.0000 0.1274 ( 7872 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1338 -19.1338 -19.1140 -19.1140 -19.1135 -19.1135 -5.0172 -5.0172 -2.6990 -2.6990 0.8970 0.8970 2.9758 2.9758 2.9761 2.9761 3.8541 3.8541 4.8542 4.8542 5.3612 5.3612 5.3843 5.3843 5.6844 5.6844 7.4990 7.4990 7.8142 7.8142 k = 0.0000 0.0000 0.1401 ( 7856 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1140 -19.1140 -19.1135 -19.1135 -5.0127 -5.0127 -2.7187 -2.7187 0.9647 0.9647 2.9777 2.9777 2.9780 2.9780 3.7460 3.7460 4.8580 4.8580 5.3497 5.3497 5.3728 5.3728 5.6821 5.6821 7.4775 7.4775 7.9381 7.9381 k = 0.0000 0.0000 0.1528 ( 7848 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3149 -19.3149 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1139 -19.1139 -19.1135 -19.1135 -5.0081 -5.0081 -2.7382 -2.7382 1.0359 1.0359 2.9795 2.9795 2.9799 2.9799 3.6366 3.6366 4.8618 4.8618 5.3383 5.3383 5.3613 5.3613 5.6815 5.6815 7.4563 7.4563 8.0581 8.0581 k = 0.0000 0.0000 0.1656 ( 7876 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3150 -19.3150 -19.2922 -19.2922 -19.1401 -19.1401 -19.1337 -19.1337 -19.1141 -19.1141 -19.1135 -19.1135 -5.0036 -5.0036 -2.7570 -2.7570 1.1097 1.1097 2.9814 2.9814 2.9818 2.9818 3.5272 3.5272 4.8656 4.8656 5.3272 5.3272 5.3502 5.3502 5.6821 5.6821 7.4359 7.4359 8.1711 8.1711 k = 0.0000 0.0000 0.1783 ( 7892 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3151 -19.3151 -19.2922 -19.2922 -19.1402 -19.1402 -19.1338 -19.1338 -19.1140 -19.1140 -19.1135 -19.1135 -4.9993 -4.9993 -2.7749 -2.7749 1.1852 1.1852 2.9832 2.9832 2.9836 2.9836 3.4193 3.4193 4.8693 4.8693 5.3166 5.3166 5.3397 5.3397 5.6837 5.6837 7.4166 7.4166 8.2736 8.2736 k = 0.0000 0.0000 0.1910 ( 7904 PWs) bands (ev): -47.2538 -47.2538 -47.2496 -47.2496 -19.3151 -19.3151 -19.2922 -19.2922 -19.1402 -19.1402 -19.1338 -19.1338 -19.1141 -19.1141 -19.1135 -19.1135 -4.9952 -4.9952 -2.7915 -2.7915 1.2611 1.2611 2.9849 2.9849 2.9854 2.9854 3.3143 3.3143 4.8727 4.8727 5.3068 5.3068 5.3299 5.3299 5.6858 5.6858 7.3988 7.3988 8.3619 8.3619 k = 0.0000 0.0000 0.2038 ( 7916 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2922 -19.2922 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9914 -4.9914 -2.8065 -2.8065 1.3360 1.3360 2.9864 2.9864 2.9869 2.9869 3.2138 3.2138 4.8759 4.8759 5.2980 5.2980 5.3210 5.3210 5.6883 5.6883 7.3827 7.3827 8.4333 8.4333 k = 0.0000 0.0000 0.2165 ( 7916 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2922 -19.2922 -19.1403 -19.1403 -19.1338 -19.1338 -19.1141 -19.1141 -19.1135 -19.1135 -4.9880 -4.9880 -2.8196 -2.8196 1.4081 1.4081 2.9878 2.9878 2.9883 2.9883 3.1200 3.1200 4.8787 4.8787 5.2902 5.2902 5.3133 5.3133 5.6908 5.6908 7.3686 7.3686 8.4869 8.4869 k = 0.0000 0.0000 0.2292 ( 7920 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2922 -19.2922 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9852 -4.9852 -2.8307 -2.8307 1.4748 1.4748 2.9889 2.9889 2.9894 2.9894 3.0353 3.0353 4.8810 4.8810 5.2837 5.2837 5.3067 5.3067 5.6932 5.6932 7.3568 7.3568 8.5244 8.5244 k = 0.0000 0.0000 0.2420 ( 7920 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2922 -19.2922 -19.1403 -19.1403 -19.1339 -19.1339 -19.1140 -19.1140 -19.1135 -19.1135 -4.9829 -4.9829 -2.8395 -2.8395 1.5330 1.5330 2.9630 2.9630 2.9898 2.9898 2.9905 2.9905 4.8830 4.8830 5.2784 5.2784 5.3015 5.3015 5.6953 5.6953 7.3474 7.3474 8.5489 8.5489 k = 0.0000 0.0000 0.2547 ( 7924 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2922 -19.2922 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9812 -4.9812 -2.8459 -2.8459 1.5789 1.5789 2.9071 2.9071 2.9905 2.9905 2.9911 2.9911 4.8844 4.8844 5.2746 5.2746 5.2977 5.2977 5.6968 5.6968 7.3405 7.3405 8.5637 8.5637 k = 0.0000 0.0000 0.2675 ( 7924 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2922 -19.2922 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9801 -4.9801 -2.8498 -2.8498 1.6086 1.6086 2.8713 2.8713 2.9909 2.9909 2.9916 2.9916 4.8852 4.8852 5.2723 5.2723 5.2954 5.2954 5.6978 5.6978 7.3364 7.3364 8.5715 8.5715 k = 0.0000 0.0000 0.2802 ( 7924 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9798 -4.9798 -2.8511 -2.8511 1.6190 1.6190 2.8589 2.8589 2.9911 2.9911 2.9917 2.9917 4.8855 4.8855 5.2716 5.2716 5.2946 5.2946 5.6981 5.6981 7.3350 7.3350 8.5739 8.5739 k = 0.0000 0.0000 0.2802 ( 7924 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9798 -4.9798 -2.8511 -2.8511 1.6190 1.6190 2.8589 2.8589 2.9911 2.9911 2.9917 2.9917 4.8855 4.8855 5.2716 5.2716 5.2946 5.2946 5.6981 5.6981 7.3350 7.3350 8.5739 8.5739 k = 0.0000 0.0132 0.2802 ( 7928 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9785 -4.9785 -2.8503 -2.8503 1.6192 1.6192 2.8336 2.8336 2.9926 2.9926 3.0017 3.0017 4.8986 4.8986 5.2633 5.2633 5.2900 5.2900 5.7057 5.7057 7.3450 7.3450 8.5811 8.5811 k = 0.0000 0.0263 0.2802 ( 7928 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1136 -19.1136 -4.9744 -4.9744 -2.8478 -2.8478 1.6199 1.6199 2.7707 2.7707 2.9961 2.9961 3.0212 3.0212 4.9355 4.9355 5.2289 5.2289 5.2866 5.2866 5.7289 5.7289 7.3736 7.3736 8.6030 8.6030 k = 0.0000 0.0395 0.2802 ( 7920 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2924 -19.2924 -19.1403 -19.1403 -19.1338 -19.1338 -19.1141 -19.1141 -19.1136 -19.1136 -4.9677 -4.9677 -2.8437 -2.8437 1.6210 1.6210 2.6835 2.6835 3.0021 3.0021 3.0406 3.0406 4.9906 4.9906 5.1692 5.1692 5.2868 5.2868 5.7696 5.7696 7.4172 7.4172 8.6401 8.6401 k = 0.0000 0.0526 0.2802 ( 7920 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3150 -19.3150 -19.2925 -19.2925 -19.1403 -19.1403 -19.1338 -19.1338 -19.1141 -19.1141 -19.1137 -19.1137 -4.9584 -4.9584 -2.8379 -2.8379 1.6223 1.6223 2.5785 2.5785 3.0104 3.0104 3.0586 3.0586 5.0560 5.0560 5.0903 5.0903 5.2884 5.2884 5.8302 5.8302 7.4708 7.4708 8.6933 8.6933 k = 0.0000 0.0658 0.2802 ( 7916 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3150 -19.3150 -19.2926 -19.2926 -19.1403 -19.1403 -19.1338 -19.1338 -19.1141 -19.1141 -19.1138 -19.1138 -4.9463 -4.9463 -2.8306 -2.8306 1.6239 1.6239 2.4600 2.4600 3.0211 3.0211 3.0761 3.0761 4.9969 4.9969 5.1242 5.1242 5.2906 5.2906 5.9133 5.9133 7.5293 7.5293 8.7635 8.7635 k = 0.0000 0.0789 0.2802 ( 7912 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3149 -19.3149 -19.2928 -19.2928 -19.1403 -19.1403 -19.1338 -19.1338 -19.1142 -19.1142 -19.1138 -19.1138 -4.9316 -4.9316 -2.8218 -2.8218 1.6254 1.6254 2.3316 2.3316 3.0342 3.0342 3.0940 3.0940 4.8932 4.8932 5.1894 5.1894 5.2934 5.2934 6.0201 6.0201 7.5880 7.5880 8.8505 8.8505 k = 0.0000 0.0921 0.2802 ( 7898 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3148 -19.3148 -19.2930 -19.2930 -19.1402 -19.1402 -19.1337 -19.1337 -19.1143 -19.1143 -19.1139 -19.1139 -4.9143 -4.9143 -2.8116 -2.8116 1.6266 1.6266 2.1962 2.1962 3.0496 3.0496 3.1128 3.1128 4.7825 4.7825 5.2488 5.2488 5.2965 5.2965 6.1497 6.1497 7.6438 7.6438 8.8383 8.8383 k = 0.0000 0.1053 0.2802 ( 7890 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3147 -19.3147 -19.2932 -19.2932 -19.1402 -19.1402 -19.1337 -19.1337 -19.1143 -19.1143 -19.1139 -19.1139 -4.8943 -4.8943 -2.8000 -2.8000 1.6273 1.6273 2.0563 2.0563 3.0673 3.0673 3.1331 3.1331 4.6676 4.6676 5.2998 5.2998 5.3021 5.3021 6.2995 6.2995 7.6945 7.6945 8.7029 8.7029 k = 0.0000 0.1184 0.2802 ( 7882 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3146 -19.3146 -19.2934 -19.2934 -19.1402 -19.1402 -19.1337 -19.1337 -19.1145 -19.1145 -19.1140 -19.1140 -4.8717 -4.8717 -2.7872 -2.7872 1.6272 1.6272 1.9137 1.9137 3.0874 3.0874 3.1550 3.1550 4.5508 4.5508 5.3032 5.3032 5.3505 5.3505 6.4663 6.4663 7.7392 7.7392 8.5673 8.5673 k = 0.0000 0.1316 0.2802 ( 7872 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3145 -19.3145 -19.2937 -19.2937 -19.1401 -19.1401 -19.1336 -19.1336 -19.1146 -19.1146 -19.1140 -19.1140 -4.8464 -4.8464 -2.7734 -2.7734 1.6257 1.6257 1.7700 1.7700 3.1098 3.1098 3.1786 3.1786 4.4341 4.4341 5.3065 5.3065 5.3954 5.3954 6.6464 6.6464 7.7775 7.7775 8.4323 8.4323 k = 0.0000 0.1447 0.2802 ( 7864 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3144 -19.3144 -19.2940 -19.2940 -19.1401 -19.1401 -19.1336 -19.1336 -19.1148 -19.1148 -19.1140 -19.1140 -4.8186 -4.8186 -2.7586 -2.7586 1.6211 1.6211 1.6276 1.6276 3.1345 3.1345 3.2041 3.2041 4.3191 4.3191 5.3096 5.3096 5.4383 5.4383 6.8367 6.8367 7.8095 7.8095 8.2991 8.2991 k = 0.0000 0.1579 0.2802 ( 7858 PWs) bands (ev): -47.2535 -47.2535 -47.2498 -47.2498 -19.3142 -19.3142 -19.2943 -19.2943 -19.1401 -19.1401 -19.1336 -19.1336 -19.1150 -19.1150 -19.1140 -19.1140 -4.7881 -4.7881 -2.7431 -2.7431 1.4834 1.4834 1.6172 1.6172 3.1615 3.1615 3.2314 3.2314 4.2072 4.2072 5.3122 5.3122 5.4803 5.4803 7.0336 7.0336 7.8353 7.8353 8.1695 8.1695 k = 0.0000 0.1711 0.2802 ( 7862 PWs) bands (ev): -47.2535 -47.2535 -47.2499 -47.2499 -19.3141 -19.3141 -19.2946 -19.2946 -19.1401 -19.1401 -19.1336 -19.1336 -19.1152 -19.1152 -19.1141 -19.1141 -4.7551 -4.7551 -2.7271 -2.7271 1.3427 1.3427 1.6088 1.6088 3.1908 3.1908 3.2606 3.2606 4.0999 4.0999 5.3141 5.3141 5.5222 5.5222 7.2318 7.2318 7.8547 7.8547 8.0477 8.0477 k = 0.0000 0.1842 0.2802 ( 7868 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3140 -19.3140 -19.2950 -19.2950 -19.1401 -19.1401 -19.1336 -19.1336 -19.1154 -19.1154 -19.1141 -19.1141 -4.7195 -4.7195 -2.7108 -2.7108 1.2045 1.2045 1.5969 1.5969 3.2223 3.2223 3.2916 3.2916 3.9983 3.9983 5.3151 5.3151 5.5647 5.5647 7.4172 7.4172 7.8672 7.8672 7.9469 7.9469 k = 0.0000 0.1974 0.2802 ( 7878 PWs) bands (ev): -47.2534 -47.2534 -47.2500 -47.2500 -19.3139 -19.3139 -19.2954 -19.2954 -19.1401 -19.1401 -19.1336 -19.1336 -19.1156 -19.1156 -19.1142 -19.1142 -4.6815 -4.6815 -2.6945 -2.6945 1.0696 1.0696 1.5808 1.5808 3.2560 3.2560 3.3243 3.3243 3.9035 3.9035 5.3150 5.3150 5.6082 5.6082 7.5367 7.5367 7.8716 7.8716 7.9199 7.9199 k = 0.0000 0.2105 0.2802 ( 7878 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3137 -19.3137 -19.2958 -19.2958 -19.1401 -19.1401 -19.1336 -19.1336 -19.1158 -19.1158 -19.1142 -19.1142 -4.6409 -4.6409 -2.6786 -2.6786 0.9388 0.9388 1.5598 1.5598 3.2919 3.2919 3.3585 3.3585 3.8167 3.8167 5.3133 5.3133 5.6528 5.6528 7.5169 7.5169 7.8668 7.8668 8.0390 8.0390 k = 0.0000 0.2237 0.2802 ( 7878 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3136 -19.3136 -19.2962 -19.2962 -19.1400 -19.1400 -19.1337 -19.1337 -19.1160 -19.1160 -19.1143 -19.1143 -4.5979 -4.5979 -2.6634 -2.6634 0.8124 0.8124 1.5333 1.5333 3.3300 3.3300 3.3943 3.3943 3.7387 3.7387 5.3099 5.3099 5.6989 5.6989 7.4240 7.4240 7.8501 7.8501 8.2384 8.2384 k = 0.0000 0.2368 0.2802 ( 7878 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3134 -19.3134 -19.2967 -19.2967 -19.1400 -19.1400 -19.1337 -19.1337 -19.1162 -19.1162 -19.1143 -19.1143 -4.5524 -4.5524 -2.6494 -2.6494 0.6914 0.6914 1.5007 1.5007 3.3702 3.3702 3.4314 3.4314 3.6703 3.6703 5.3044 5.3044 5.7466 5.7466 7.3132 7.3132 7.8188 7.8188 8.4627 8.4627 k = 0.0000 0.2500 0.2802 ( 7874 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3131 -19.3131 -19.2971 -19.2971 -19.1399 -19.1399 -19.1337 -19.1337 -19.1164 -19.1164 -19.1144 -19.1144 -4.5046 -4.5046 -2.6371 -2.6371 0.5762 0.5762 1.4618 1.4618 3.4125 3.4125 3.4695 3.4695 3.6121 3.6121 5.2966 5.2966 5.7958 5.7958 7.1986 7.1986 7.7707 7.7707 8.4011 8.4011 k = 0.0000 0.2632 0.2802 ( 7884 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3129 -19.3129 -19.2976 -19.2976 -19.1399 -19.1399 -19.1338 -19.1338 -19.1166 -19.1166 -19.1145 -19.1145 -4.4544 -4.4544 -2.6270 -2.6270 0.4675 0.4675 1.4163 1.4163 3.4567 3.4567 3.5085 3.5085 3.5646 3.5646 5.2860 5.2860 5.8464 5.8464 7.0847 7.0847 7.7051 7.7051 8.3284 8.3284 k = 0.0000 0.2763 0.2802 ( 7876 PWs) bands (ev): -47.2530 -47.2530 -47.2503 -47.2503 -19.3127 -19.3127 -19.2981 -19.2981 -19.1398 -19.1398 -19.1338 -19.1338 -19.1167 -19.1167 -19.1146 -19.1146 -4.4019 -4.4019 -2.6196 -2.6196 0.3660 0.3660 1.3642 1.3642 3.5020 3.5020 3.5272 3.5272 3.5493 3.5493 5.2724 5.2724 5.8985 5.8985 6.9737 6.9737 7.6238 7.6238 8.2677 8.2677 k = 0.0000 0.2895 0.2802 ( 7868 PWs) bands (ev): -47.2529 -47.2529 -47.2503 -47.2503 -19.3125 -19.3125 -19.2985 -19.2985 -19.1397 -19.1397 -19.1339 -19.1339 -19.1168 -19.1168 -19.1146 -19.1146 -4.3472 -4.3472 -2.6156 -2.6156 0.2724 0.2724 1.3061 1.3061 3.4987 3.4987 3.5522 3.5522 3.5889 3.5889 5.2555 5.2555 5.9516 5.9516 6.8668 6.8668 7.5304 7.5304 8.2154 8.2154 k = 0.0000 0.3026 0.2802 ( 7878 PWs) bands (ev): -47.2528 -47.2528 -47.2504 -47.2504 -19.3123 -19.3123 -19.2990 -19.2990 -19.1397 -19.1397 -19.1340 -19.1340 -19.1170 -19.1170 -19.1147 -19.1147 -4.2903 -4.2903 -2.6156 -2.6156 0.1875 0.1875 1.2422 1.2422 3.4818 3.4818 3.6020 3.6020 3.6290 3.6290 5.2351 5.2351 6.0052 6.0052 6.7655 6.7655 7.4288 7.4288 8.1672 8.1672 k = 0.0000 0.3158 0.2802 ( 7874 PWs) bands (ev): -47.2527 -47.2527 -47.2505 -47.2505 -19.3120 -19.3120 -19.2995 -19.2995 -19.1396 -19.1396 -19.1341 -19.1341 -19.1171 -19.1171 -19.1148 -19.1148 -4.2313 -4.2313 -2.6202 -2.6202 0.1118 0.1118 1.1733 1.1733 3.4739 3.4739 3.6536 3.6536 3.6689 3.6689 5.2109 5.2109 6.0582 6.0582 6.6716 6.6716 7.3225 7.3225 8.1199 8.1199 k = 0.0000 0.3289 0.2802 ( 7872 PWs) bands (ev): -47.2527 -47.2527 -47.2506 -47.2506 -19.3117 -19.3117 -19.3000 -19.3000 -19.1395 -19.1395 -19.1343 -19.1343 -19.1171 -19.1171 -19.1149 -19.1149 -4.1702 -4.1702 -2.6300 -2.6300 0.0460 0.0460 1.1002 1.1002 3.4742 3.4742 3.7041 3.7041 3.7108 3.7108 5.1828 5.1828 6.1084 6.1084 6.5880 6.5880 7.2140 7.2140 8.0710 8.0710 k = 0.0000 0.3421 0.2802 ( 7868 PWs) bands (ev): -47.2526 -47.2526 -47.2506 -47.2506 -19.3114 -19.3114 -19.3005 -19.3005 -19.1394 -19.1394 -19.1344 -19.1344 -19.1172 -19.1172 -19.1150 -19.1150 -4.1073 -4.1073 -2.6455 -2.6455 -0.0094 -0.0094 1.0237 1.0237 3.4821 3.4821 3.7434 3.7434 3.7641 3.7641 5.1508 5.1508 6.1510 6.1510 6.5203 6.5203 7.1051 7.1051 8.0189 8.0189 k = 0.0000 0.3553 0.2802 ( 7880 PWs) bands (ev): -47.2525 -47.2525 -47.2507 -47.2507 -19.3111 -19.3111 -19.3011 -19.3011 -19.1392 -19.1392 -19.1346 -19.1346 -19.1173 -19.1173 -19.1152 -19.1152 -4.0424 -4.0424 -2.6670 -2.6670 -0.0540 -0.0540 0.9446 0.9446 3.4967 3.4967 3.7786 3.7786 3.8209 3.8209 5.1148 5.1148 6.1762 6.1762 6.4788 6.4788 6.9971 6.9971 7.9630 7.9630 k = 0.0000 0.3684 0.2802 ( 7868 PWs) bands (ev): -47.2524 -47.2524 -47.2508 -47.2508 -19.3107 -19.3107 -19.3016 -19.3016 -19.1391 -19.1391 -19.1347 -19.1347 -19.1173 -19.1173 -19.1153 -19.1153 -3.9759 -3.9759 -2.6948 -2.6948 -0.0876 -0.0876 0.8639 0.8639 3.5170 3.5170 3.8109 3.8109 3.8793 3.8793 5.0749 5.0749 6.1735 6.1735 6.4749 6.4749 6.8911 6.8911 7.9029 7.9029 k = 0.0000 0.3816 0.2802 ( 7892 PWs) bands (ev): -47.2524 -47.2524 -47.2508 -47.2508 -19.3104 -19.3104 -19.3022 -19.3022 -19.1389 -19.1389 -19.1350 -19.1350 -19.1174 -19.1174 -19.1155 -19.1155 -3.9078 -3.9078 -2.7289 -2.7289 -0.1102 -0.1102 0.7822 0.7822 3.5422 3.5422 3.8395 3.8395 3.9392 3.9392 5.0312 5.0312 6.1467 6.1467 6.5056 6.5056 6.7879 6.7879 7.8387 7.8387 k = 0.0000 0.3947 0.2802 ( 7886 PWs) bands (ev): -47.2523 -47.2523 -47.2509 -47.2509 -19.3101 -19.3101 -19.3027 -19.3027 -19.1388 -19.1388 -19.1352 -19.1352 -19.1173 -19.1173 -19.1156 -19.1156 -3.8382 -3.8382 -2.7691 -2.7691 -0.1219 -0.1219 0.7002 0.7002 3.5713 3.5713 3.8637 3.8637 4.0004 4.0004 4.9840 4.9840 6.1105 6.1105 6.5568 6.5568 6.6882 6.6882 7.7707 7.7707 k = 0.0000 0.4079 0.2802 ( 7882 PWs) bands (ev): -47.2522 -47.2522 -47.2510 -47.2510 -19.3097 -19.3097 -19.3032 -19.3032 -19.1386 -19.1386 -19.1354 -19.1354 -19.1173 -19.1173 -19.1157 -19.1157 -3.7673 -3.7673 -2.8152 -2.8152 -0.1230 -0.1230 0.6188 0.6188 3.6036 3.6036 3.8827 3.8827 4.0627 4.0627 4.9335 4.9335 6.0757 6.0757 6.5925 6.5925 6.6190 6.6190 7.6993 7.6993 k = 0.0000 0.4211 0.2802 ( 7882 PWs) bands (ev): -47.2521 -47.2521 -47.2511 -47.2511 -19.3093 -19.3093 -19.3037 -19.3037 -19.1384 -19.1384 -19.1356 -19.1356 -19.1172 -19.1172 -19.1158 -19.1158 -3.6954 -3.6954 -2.8667 -2.8667 -0.1141 -0.1141 0.5385 0.5385 3.6382 3.6382 3.8960 3.8960 4.1259 4.1259 4.8800 4.8800 6.0474 6.0474 6.5019 6.5019 6.6869 6.6869 7.6251 7.6251 k = 0.0000 0.4342 0.2802 ( 7878 PWs) bands (ev): -47.2520 -47.2520 -47.2512 -47.2512 -19.3089 -19.3089 -19.3042 -19.3042 -19.1382 -19.1382 -19.1358 -19.1358 -19.1172 -19.1172 -19.1160 -19.1160 -3.6226 -3.6226 -2.9231 -2.9231 -0.0956 -0.0956 0.4600 0.4600 3.6741 3.6741 3.9029 3.9029 4.1900 4.1900 4.8238 4.8238 6.0283 6.0283 6.4167 6.4167 6.7589 6.7589 7.5485 7.5485 k = 0.0000 0.4474 0.2802 ( 7870 PWs) bands (ev): -47.2519 -47.2519 -47.2512 -47.2512 -19.3085 -19.3085 -19.3047 -19.3047 -19.1379 -19.1379 -19.1360 -19.1360 -19.1171 -19.1171 -19.1161 -19.1161 -3.5492 -3.5492 -2.9837 -2.9837 -0.0684 -0.0684 0.3839 0.3839 3.7104 3.7104 3.9032 3.9032 4.2547 4.2547 4.7653 4.7653 6.0199 6.0199 6.3377 6.3377 6.8336 6.8336 7.4702 7.4702 k = 0.0000 0.4605 0.2802 ( 7874 PWs) bands (ev): -47.2518 -47.2518 -47.2513 -47.2513 -19.3080 -19.3080 -19.3053 -19.3053 -19.1377 -19.1377 -19.1363 -19.1363 -19.1170 -19.1170 -19.1163 -19.1163 -3.4755 -3.4755 -3.0478 -3.0478 -0.0330 -0.0330 0.3107 0.3107 3.7463 3.7463 3.8969 3.8969 4.3198 4.3198 4.7048 4.7048 6.0227 6.0227 6.2657 6.2657 6.9104 6.9104 7.3906 7.3906 k = 0.0000 0.4737 0.2802 ( 7874 PWs) bands (ev): -47.2517 -47.2517 -47.2514 -47.2514 -19.3076 -19.3076 -19.3057 -19.3057 -19.1375 -19.1375 -19.1365 -19.1365 -19.1169 -19.1169 -19.1164 -19.1164 -3.4017 -3.4017 -3.1150 -3.1150 0.0097 0.0097 0.2410 0.2410 3.7807 3.7807 3.8840 3.8840 4.3850 4.3850 4.6427 4.6427 6.0370 6.0370 6.2013 6.2013 6.9888 6.9888 7.3101 7.3101 k = 0.0000 0.4868 0.2802 ( 7866 PWs) bands (ev): -47.2517 -47.2517 -47.2515 -47.2515 -19.3071 -19.3071 -19.3062 -19.3062 -19.1372 -19.1372 -19.1368 -19.1368 -19.1168 -19.1168 -19.1165 -19.1165 -3.3284 -3.3284 -3.1845 -3.1845 0.0592 0.0592 0.1755 0.1755 3.8126 3.8126 3.8652 3.8652 4.4503 4.4503 4.5794 4.5794 6.0626 6.0626 6.1455 6.1455 7.0683 7.0683 7.2293 7.2293 k = 0.0000 0.5000 0.2802 ( 7868 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2558 -3.2558 -3.2558 -3.2558 0.1147 0.1147 0.1147 0.1147 3.8411 3.8411 3.8411 3.8411 4.5151 4.5151 4.5152 4.5152 6.0990 6.0990 6.0990 6.0990 7.1486 7.1486 7.1486 7.1486 k = 0.0000 0.5000 0.2802 ( 7868 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2558 -3.2558 -3.2558 -3.2558 0.1147 0.1147 0.1147 0.1147 3.8411 3.8411 3.8411 3.8411 4.5151 4.5151 4.5152 4.5152 6.0990 6.0990 6.0990 6.0990 7.1486 7.1486 7.1486 7.1486 k = 0.0132 0.5000 0.2802 ( 7872 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1374 -19.1374 -19.1366 -19.1366 -19.1171 -19.1171 -19.1163 -19.1163 -3.2546 -3.2546 -3.2546 -3.2546 0.1155 0.1155 0.1155 0.1155 3.8397 3.8397 3.8408 3.8408 4.4996 4.4996 4.5007 4.5007 6.1054 6.1054 6.1061 6.1061 7.1612 7.1612 7.1617 7.1617 k = 0.0263 0.5000 0.2802 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3068 -19.3068 -19.3067 -19.3067 -19.1379 -19.1379 -19.1362 -19.1362 -19.1175 -19.1175 -19.1159 -19.1159 -3.2509 -3.2509 -3.2509 -3.2509 0.1179 0.1179 0.1179 0.1179 3.8363 3.8363 3.8385 3.8385 4.4557 4.4557 4.4581 4.4581 6.1240 6.1240 6.1253 6.1253 7.1993 7.1993 7.2002 7.2002 k = 0.0395 0.5000 0.2802 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3068 -19.3068 -19.3066 -19.3066 -19.1383 -19.1383 -19.1357 -19.1357 -19.1179 -19.1179 -19.1156 -19.1156 -3.2448 -3.2448 -3.2448 -3.2448 0.1219 0.1219 0.1219 0.1219 3.8303 3.8303 3.8339 3.8339 4.3880 4.3880 4.3918 4.3918 6.1513 6.1513 6.1533 6.1533 7.2619 7.2619 7.2631 7.2631 k = 0.0526 0.5000 0.2802 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3069 -19.3069 -19.3066 -19.3066 -19.1387 -19.1387 -19.1353 -19.1353 -19.1184 -19.1184 -19.1153 -19.1153 -3.2362 -3.2362 -3.2362 -3.2362 0.1274 0.1274 0.1274 0.1274 3.8204 3.8204 3.8257 3.8257 4.3027 4.3027 4.3083 4.3083 6.1837 6.1837 6.1861 6.1861 7.3468 7.3468 7.3481 7.3481 k = 0.0658 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3070 -19.3070 -19.3066 -19.3066 -19.1391 -19.1391 -19.1348 -19.1348 -19.1189 -19.1189 -19.1150 -19.1150 -3.2252 -3.2252 -3.2252 -3.2252 0.1344 0.1344 0.1345 0.1345 3.8041 3.8041 3.8116 3.8116 4.2071 4.2071 4.2150 4.2150 6.2180 6.2180 6.2208 6.2208 7.4503 7.4503 7.4513 7.4513 k = 0.0789 0.5000 0.2802 ( 7896 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3071 -19.3071 -19.3066 -19.3066 -19.1394 -19.1394 -19.1344 -19.1344 -19.1194 -19.1194 -19.1147 -19.1147 -3.2118 -3.2118 -3.2118 -3.2118 0.1428 0.1428 0.1429 0.1429 3.7763 3.7763 3.7867 3.7867 4.1106 4.1106 4.1214 4.1214 6.2524 6.2524 6.2555 6.2555 7.5647 7.5647 7.5652 7.5652 k = 0.0921 0.5000 0.2802 ( 7896 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3071 -19.3071 -19.3067 -19.3067 -19.1398 -19.1398 -19.1340 -19.1340 -19.1198 -19.1198 -19.1145 -19.1145 -3.1961 -3.1961 -3.1960 -3.1960 0.1526 0.1526 0.1526 0.1526 3.7287 3.7287 3.7415 3.7415 4.0258 4.0258 4.0390 4.0390 6.2861 6.2861 6.2894 6.2894 7.6708 7.6708 7.6715 7.6715 k = 0.1053 0.5000 0.2802 ( 7884 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3072 -19.3072 -19.3066 -19.3066 -19.1401 -19.1401 -19.1335 -19.1335 -19.1203 -19.1203 -19.1142 -19.1142 -3.1779 -3.1779 -3.1779 -3.1779 0.1634 0.1634 0.1635 0.1635 3.6537 3.6537 3.6669 3.6669 3.9644 3.9644 3.9780 3.9780 6.3189 6.3189 6.3224 6.3224 7.7214 7.7214 7.7228 7.7228 k = 0.1184 0.5000 0.2802 ( 7872 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3073 -19.3073 -19.3066 -19.3066 -19.1404 -19.1404 -19.1331 -19.1331 -19.1208 -19.1208 -19.1140 -19.1140 -3.1574 -3.1574 -3.1573 -3.1573 0.1753 0.1753 0.1754 0.1754 3.5537 3.5537 3.5653 3.5653 3.9260 3.9260 3.9380 3.9380 6.3509 6.3509 6.3547 6.3547 7.6879 7.6879 7.6880 7.6880 k = 0.1316 0.5000 0.2802 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3073 -19.3073 -19.3067 -19.3067 -19.1407 -19.1407 -19.1327 -19.1327 -19.1213 -19.1213 -19.1139 -19.1139 -3.1345 -3.1345 -3.1345 -3.1345 0.1881 0.1881 0.1882 0.1882 3.4381 3.4381 3.4478 3.4478 3.9008 3.9008 3.9109 3.9109 6.3824 6.3824 6.3863 6.3863 7.6105 7.6105 7.6116 7.6116 k = 0.1447 0.5000 0.2802 ( 7884 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3074 -19.3074 -19.3067 -19.3067 -19.1410 -19.1410 -19.1323 -19.1323 -19.1218 -19.1218 -19.1137 -19.1137 -3.1094 -3.1094 -3.1094 -3.1094 0.2014 0.2014 0.2015 0.2015 3.3148 3.3148 3.3230 3.3230 3.8815 3.8815 3.8901 3.8901 6.4134 6.4134 6.4174 6.4174 7.5208 7.5208 7.5227 7.5227 k = 0.1579 0.5000 0.2802 ( 7884 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3075 -19.3075 -19.3068 -19.3068 -19.1413 -19.1413 -19.1319 -19.1319 -19.1223 -19.1223 -19.1136 -19.1136 -3.0820 -3.0820 -3.0820 -3.0820 0.2151 0.2151 0.2152 0.2152 3.1886 3.1886 3.1956 3.1956 3.8640 3.8640 3.8715 3.8715 6.4439 6.4439 6.4480 6.4480 7.4295 7.4295 7.4320 7.4320 k = 0.1711 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3076 -19.3076 -19.3068 -19.3068 -19.1415 -19.1415 -19.1315 -19.1315 -19.1227 -19.1227 -19.1135 -19.1135 -3.0524 -3.0524 -3.0524 -3.0524 0.2287 0.2287 0.2288 0.2288 3.0623 3.0623 3.0685 3.0685 3.8463 3.8463 3.8529 3.8529 6.4736 6.4736 6.4778 6.4778 7.3413 7.3413 7.3442 7.3442 k = 0.1842 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3077 -19.3077 -19.3069 -19.3069 -19.1417 -19.1417 -19.1312 -19.1312 -19.1232 -19.1232 -19.1134 -19.1134 -3.0207 -3.0207 -3.0207 -3.0207 0.2420 0.2420 0.2421 0.2421 2.9379 2.9379 2.9434 2.9434 3.8272 3.8272 3.8331 3.8331 6.5020 6.5020 6.5063 6.5063 7.2591 7.2591 7.2624 7.2624 k = 0.1974 0.5000 0.2802 ( 7884 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3078 -19.3078 -19.3070 -19.3070 -19.1419 -19.1419 -19.1309 -19.1309 -19.1235 -19.1235 -19.1134 -19.1134 -2.9869 -2.9869 -2.9868 -2.9868 0.2544 0.2544 0.2546 0.2546 2.8168 2.8168 2.8218 2.8218 3.8058 3.8058 3.8111 3.8111 6.5280 6.5280 6.5323 6.5323 7.1855 7.1855 7.1891 7.1891 k = 0.2105 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3079 -19.3079 -19.3070 -19.3070 -19.1421 -19.1421 -19.1307 -19.1307 -19.1239 -19.1239 -19.1134 -19.1134 -2.9510 -2.9510 -2.9510 -2.9510 0.2654 0.2654 0.2656 0.2656 2.7004 2.7004 2.7049 2.7049 3.7814 3.7814 3.7864 3.7864 6.5503 6.5503 6.5546 6.5546 7.1231 7.1231 7.1268 7.1268 k = 0.2237 0.5000 0.2802 ( 7884 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3080 -19.3080 -19.3071 -19.3071 -19.1422 -19.1422 -19.1306 -19.1306 -19.1241 -19.1241 -19.1134 -19.1134 -2.9133 -2.9133 -2.9132 -2.9132 0.2744 0.2744 0.2747 0.2747 2.5896 2.5896 2.5938 2.5938 3.7536 3.7536 3.7583 3.7583 6.5671 6.5671 6.5710 6.5710 7.0747 7.0747 7.0782 7.0782 k = 0.2368 0.5000 0.2802 ( 7880 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3081 -19.3081 -19.3072 -19.3072 -19.1423 -19.1423 -19.1306 -19.1306 -19.1243 -19.1243 -19.1134 -19.1134 -2.8736 -2.8736 -2.8736 -2.8736 0.2808 0.2808 0.2810 0.2810 2.4856 2.4856 2.4896 2.4896 3.7220 3.7220 3.7264 3.7264 6.5764 6.5764 6.5798 6.5798 7.0426 7.0426 7.0457 7.0457 k = 0.2500 0.5000 0.2802 ( 7880 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3081 -19.3081 -19.3073 -19.3073 -19.1424 -19.1424 -19.1306 -19.1306 -19.1243 -19.1243 -19.1134 -19.1134 -2.8323 -2.8323 -2.8322 -2.8322 0.2837 0.2837 0.2840 0.2840 2.3896 2.3896 2.3934 2.3934 3.6864 3.6864 3.6906 3.6906 6.5774 6.5774 6.5800 6.5800 7.0283 7.0283 7.0307 7.0307 k = 0.2632 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3083 -19.3083 -19.3074 -19.3074 -19.1425 -19.1425 -19.1308 -19.1308 -19.1243 -19.1243 -19.1135 -19.1135 -2.7893 -2.7893 -2.7893 -2.7893 0.2824 0.2824 0.2827 0.2827 2.3026 2.3026 2.3062 2.3062 3.6465 3.6465 3.6505 3.6505 6.5712 6.5712 6.5728 6.5728 7.0308 7.0308 7.0323 7.0323 k = 0.2763 0.5000 0.2802 ( 7892 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3083 -19.3083 -19.3075 -19.3075 -19.1426 -19.1426 -19.1311 -19.1311 -19.1242 -19.1242 -19.1136 -19.1136 -2.7449 -2.7449 -2.7449 -2.7449 0.2761 0.2761 0.2764 0.2764 2.2255 2.2255 2.2290 2.2290 3.6023 3.6023 3.6061 3.6061 6.5605 6.5605 6.5611 6.5611 7.0471 7.0471 7.0477 7.0477 k = 0.2895 0.5000 0.2802 ( 7888 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3084 -19.3084 -19.3075 -19.3075 -19.1426 -19.1426 -19.1315 -19.1315 -19.1239 -19.1239 -19.1137 -19.1137 -2.6992 -2.6992 -2.6992 -2.6992 0.2642 0.2642 0.2645 0.2645 2.1595 2.1595 2.1628 2.1628 3.5538 3.5538 3.5575 3.5575 6.5484 6.5484 6.5485 6.5485 7.0735 7.0735 7.0738 7.0738 k = 0.3026 0.5000 0.2802 ( 7892 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3085 -19.3085 -19.3077 -19.3077 -19.1426 -19.1426 -19.1319 -19.1319 -19.1237 -19.1237 -19.1138 -19.1138 -2.6524 -2.6524 -2.6523 -2.6523 0.2461 0.2461 0.2465 0.2465 2.1051 2.1051 2.1083 2.1083 3.5011 3.5011 3.5046 3.5046 6.5373 6.5373 6.5382 6.5382 7.1067 7.1067 7.1076 7.1076 k = 0.3158 0.5000 0.2802 ( 7896 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3086 -19.3086 -19.3078 -19.3078 -19.1426 -19.1426 -19.1324 -19.1324 -19.1234 -19.1234 -19.1140 -19.1140 -2.6047 -2.6047 -2.6047 -2.6047 0.2218 0.2218 0.2221 0.2221 2.0628 2.0628 2.0660 2.0660 3.4444 3.4444 3.4479 3.4479 6.5298 6.5298 6.5312 6.5312 7.1448 7.1448 7.1463 7.1463 k = 0.3289 0.5000 0.2802 ( 7900 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3086 -19.3086 -19.3079 -19.3079 -19.1425 -19.1425 -19.1329 -19.1329 -19.1230 -19.1230 -19.1142 -19.1142 -2.5565 -2.5565 -2.5564 -2.5564 0.1912 0.1912 0.1915 0.1915 2.0329 2.0329 2.0359 2.0359 3.3841 3.3841 3.3874 3.3874 6.5269 6.5269 6.5288 6.5288 7.1859 7.1859 7.1879 7.1879 k = 0.3421 0.5000 0.2802 ( 7900 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3087 -19.3087 -19.3080 -19.3080 -19.1424 -19.1424 -19.1334 -19.1334 -19.1227 -19.1227 -19.1144 -19.1144 -2.5080 -2.5080 -2.5079 -2.5079 0.1550 0.1550 0.1553 0.1553 2.0151 2.0151 2.0180 2.0180 3.3204 3.3204 3.3237 3.3237 6.5291 6.5291 6.5313 6.5313 7.2285 7.2285 7.2310 7.2310 k = 0.3553 0.5000 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3081 -19.3081 -19.1423 -19.1423 -19.1339 -19.1339 -19.1223 -19.1223 -19.1146 -19.1146 -2.4596 -2.4596 -2.4595 -2.4595 0.1139 0.1139 0.1142 0.1142 2.0089 2.0089 2.0117 2.0117 3.2539 3.2539 3.2570 3.2570 6.5366 6.5366 6.5391 6.5391 7.2712 7.2712 7.2741 7.2741 k = 0.3684 0.5000 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3082 -19.3082 -19.1422 -19.1422 -19.1344 -19.1344 -19.1219 -19.1219 -19.1148 -19.1148 -2.4117 -2.4117 -2.4117 -2.4117 0.0691 0.0691 0.0693 0.0693 2.0135 2.0135 2.0162 2.0162 3.1849 3.1849 3.1879 3.1879 6.5491 6.5491 6.5518 6.5518 7.3127 7.3127 7.3160 7.3160 k = 0.3816 0.5000 0.2802 ( 7896 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3082 -19.3082 -19.1419 -19.1419 -19.1349 -19.1349 -19.1215 -19.1215 -19.1150 -19.1150 -2.3649 -2.3649 -2.3649 -2.3649 0.0219 0.0219 0.0221 0.0221 2.0280 2.0280 2.0307 2.0307 3.1139 3.1139 3.1169 3.1169 6.5662 6.5662 6.5690 6.5690 7.3516 7.3516 7.3552 7.3552 k = 0.3947 0.5000 0.2802 ( 7896 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3083 -19.3083 -19.1417 -19.1417 -19.1354 -19.1354 -19.1211 -19.1211 -19.1153 -19.1153 -2.3198 -2.3198 -2.3198 -2.3198 -0.0262 -0.0262 -0.0260 -0.0260 2.0516 2.0516 2.0542 2.0542 3.0414 3.0414 3.0443 3.0443 6.5873 6.5873 6.5902 6.5902 7.3861 7.3861 7.3901 7.3901 k = 0.4079 0.5000 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3084 -19.3084 -19.1415 -19.1415 -19.1360 -19.1360 -19.1207 -19.1207 -19.1156 -19.1156 -2.2771 -2.2771 -2.2770 -2.2770 -0.0737 -0.0737 -0.0735 -0.0735 2.0831 2.0831 2.0857 2.0857 2.9679 2.9679 2.9707 2.9707 6.6115 6.6115 6.6145 6.6145 7.4147 7.4147 7.4189 7.4189 k = 0.4211 0.5000 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3085 -19.3085 -19.1413 -19.1413 -19.1365 -19.1365 -19.1203 -19.1203 -19.1159 -19.1159 -2.2374 -2.2374 -2.2374 -2.2374 -0.1189 -0.1189 -0.1188 -0.1188 2.1216 2.1216 2.1242 2.1242 2.8938 2.8938 2.8966 2.8966 6.6380 6.6380 6.6409 6.6409 7.4358 7.4358 7.4401 7.4401 k = 0.4342 0.5000 0.2802 ( 7904 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3086 -19.3086 -19.1410 -19.1410 -19.1370 -19.1370 -19.1199 -19.1199 -19.1162 -19.1162 -2.2017 -2.2017 -2.2017 -2.2017 -0.1605 -0.1605 -0.1604 -0.1604 2.1664 2.1664 2.1689 2.1689 2.8197 2.8197 2.8224 2.8224 6.6654 6.6654 6.6681 6.6681 7.4484 7.4484 7.4526 7.4526 k = 0.4474 0.5000 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3086 -19.3086 -19.1407 -19.1407 -19.1375 -19.1375 -19.1195 -19.1195 -19.1165 -19.1165 -2.1708 -2.1708 -2.1708 -2.1708 -0.1970 -0.1970 -0.1969 -0.1969 2.2164 2.2164 2.2190 2.2190 2.7460 2.7460 2.7486 2.7486 6.6921 6.6921 6.6945 6.6945 7.4527 7.4527 7.4567 7.4567 k = 0.4605 0.5000 0.2802 ( 7904 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3087 -19.3087 -19.1403 -19.1403 -19.1379 -19.1379 -19.1191 -19.1191 -19.1169 -19.1169 -2.1457 -2.1457 -2.1457 -2.1457 -0.2269 -0.2269 -0.2269 -0.2269 2.2711 2.2711 2.2736 2.2736 2.6732 2.6732 2.6758 2.6758 6.7163 6.7163 6.7183 6.7183 7.4507 7.4507 7.4540 7.4540 k = 0.4737 0.5000 0.2802 ( 7900 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3089 -19.3089 -19.3087 -19.3087 -19.1400 -19.1400 -19.1383 -19.1383 -19.1187 -19.1187 -19.1172 -19.1172 -2.1270 -2.1270 -2.1270 -2.1270 -0.2493 -0.2493 -0.2492 -0.2492 2.3294 2.3294 2.3319 2.3319 2.6021 2.6021 2.6046 2.6046 6.7359 6.7359 6.7374 6.7374 7.4455 7.4455 7.4480 7.4480 k = 0.4868 0.5000 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3088 -19.3088 -19.1396 -19.1396 -19.1388 -19.1388 -19.1183 -19.1183 -19.1176 -19.1176 -2.1155 -2.1155 -2.1155 -2.1155 -0.2630 -0.2630 -0.2630 -0.2630 2.3897 2.3897 2.3921 2.3921 2.5343 2.5343 2.5366 2.5366 6.7489 6.7489 6.7497 6.7497 7.4408 7.4408 7.4421 7.4421 k = 0.5000 0.5000 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1116 -2.1116 -2.1116 -2.1116 -0.2677 -0.2677 -0.2677 -0.2677 2.4349 2.4349 2.4349 2.4349 2.4889 2.4889 2.4889 2.4889 6.7537 6.7537 6.7537 6.7537 7.4393 7.4393 7.4393 7.4393 k = 0.5000 0.5000 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1116 -2.1116 -2.1116 -2.1116 -0.2677 -0.2677 -0.2677 -0.2677 2.4349 2.4349 2.4349 2.4349 2.4889 2.4889 2.4889 2.4889 6.7537 6.7537 6.7537 6.7537 7.4393 7.4393 7.4393 7.4393 k = 0.4907 0.4907 0.2802 ( 7916 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3088 -19.3088 -19.1396 -19.1396 -19.1388 -19.1388 -19.1183 -19.1183 -19.1176 -19.1176 -2.1191 -2.1191 -2.1118 -2.1118 -0.2663 -0.2663 -0.2599 -0.2599 2.3647 2.3647 2.4362 2.4362 2.4908 2.4908 2.5609 2.5609 6.7489 6.7489 6.7497 6.7497 7.4403 7.4403 7.4427 7.4427 k = 0.4815 0.4815 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3089 -19.3089 -19.3087 -19.3087 -19.1400 -19.1400 -19.1384 -19.1384 -19.1187 -19.1187 -19.1172 -19.1172 -2.1412 -2.1412 -2.1124 -2.1124 -0.2621 -0.2621 -0.2368 -0.2368 2.2752 2.2752 2.4400 2.4400 2.4968 2.4968 2.6557 2.6557 6.7353 6.7353 6.7374 6.7374 7.4438 7.4438 7.4520 7.4520 k = 0.4722 0.4722 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3089 -19.3089 -19.3087 -19.3087 -19.1403 -19.1403 -19.1379 -19.1379 -19.1191 -19.1191 -19.1169 -19.1169 -2.1767 -2.1767 -2.1133 -2.1133 -0.2550 -0.2550 -0.1997 -0.1997 2.1868 2.1868 2.4464 2.4464 2.5067 2.5067 2.7529 2.7529 6.7140 6.7140 6.7172 6.7172 7.4497 7.4497 7.4668 7.4668 k = 0.4630 0.4630 0.2802 ( 7916 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3090 -19.3090 -19.3086 -19.3086 -19.1407 -19.1407 -19.1375 -19.1375 -19.1195 -19.1195 -19.1165 -19.1165 -2.2241 -2.2241 -2.1146 -2.1146 -0.2452 -0.2452 -0.1503 -0.1503 2.1007 2.1007 2.4552 2.4552 2.5206 2.5206 2.8512 2.8512 6.6861 6.6861 6.6900 6.6900 7.4580 7.4580 7.4863 7.4863 k = 0.4537 0.4537 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3090 -19.3090 -19.3085 -19.3085 -19.1410 -19.1410 -19.1370 -19.1370 -19.1198 -19.1198 -19.1162 -19.1162 -2.2814 -2.2814 -2.1164 -2.1164 -0.2326 -0.2326 -0.0906 -0.0906 2.0174 2.0174 2.4666 2.4666 2.5385 2.5385 2.9499 2.9499 6.6531 6.6531 6.6570 6.6570 7.4686 7.4686 7.5095 7.5095 k = 0.4444 0.4444 0.2802 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3091 -19.3091 -19.3083 -19.3083 -19.1413 -19.1413 -19.1365 -19.1365 -19.1203 -19.1203 -19.1159 -19.1159 -2.3468 -2.3468 -2.1186 -2.1186 -0.2171 -0.2171 -0.0224 -0.0224 1.9372 1.9372 2.4805 2.4805 2.5604 2.5604 3.0487 3.0487 6.6162 6.6162 6.6195 6.6195 7.4815 7.4815 7.5358 7.5358 k = 0.4352 0.4352 0.2802 ( 7890 PWs) bands (ev): -47.2515 -47.2515 -47.2514 -47.2514 -19.3091 -19.3091 -19.3081 -19.3081 -19.1415 -19.1415 -19.1359 -19.1359 -19.1206 -19.1206 -19.1156 -19.1156 -2.4186 -2.4186 -2.1215 -2.1215 -0.1988 -0.1988 0.0522 0.0522 1.8603 1.8603 2.4969 2.4969 2.5863 2.5863 3.1469 3.1469 6.5755 6.5755 6.5800 6.5800 7.4968 7.4968 7.5646 7.5646 k = 0.4259 0.4259 0.2802 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2513 -47.2513 -19.3092 -19.3092 -19.3079 -19.3079 -19.1417 -19.1417 -19.1354 -19.1354 -19.1210 -19.1210 -19.1153 -19.1153 -2.4954 -2.4954 -2.1249 -2.1249 -0.1778 -0.1778 0.1318 0.1318 1.7870 1.7870 2.5159 2.5159 2.6160 2.6160 3.2441 3.2441 6.5317 6.5317 6.5405 6.5405 7.5144 7.5144 7.5956 7.5956 k = 0.4167 0.4167 0.2802 ( 7884 PWs) bands (ev): -47.2516 -47.2516 -47.2513 -47.2513 -19.3093 -19.3093 -19.3077 -19.3077 -19.1419 -19.1419 -19.1349 -19.1349 -19.1214 -19.1214 -19.1150 -19.1150 -2.5759 -2.5759 -2.1291 -2.1291 -0.1539 -0.1539 0.2147 0.2147 1.7175 1.7175 2.5373 2.5373 2.6497 2.6497 3.3397 3.3397 6.4865 6.4865 6.5016 6.5016 7.5343 7.5343 7.6285 7.6285 k = 0.4074 0.4074 0.2802 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2513 -47.2513 -19.3094 -19.3094 -19.3074 -19.3074 -19.1421 -19.1421 -19.1343 -19.1343 -19.1219 -19.1219 -19.1147 -19.1147 -2.6592 -2.6592 -2.1340 -2.1340 -0.1273 -0.1273 0.2999 0.2999 1.6521 1.6521 2.5613 2.5613 2.6872 2.6872 3.4330 3.4330 6.4415 6.4415 6.4643 6.4643 7.5565 7.5565 7.6632 7.6632 k = 0.3981 0.3981 0.2802 ( 7888 PWs) bands (ev): -47.2517 -47.2517 -47.2513 -47.2513 -19.3095 -19.3095 -19.3072 -19.3072 -19.1423 -19.1423 -19.1338 -19.1338 -19.1223 -19.1223 -19.1145 -19.1145 -2.7443 -2.7443 -2.1398 -2.1398 -0.0979 -0.0979 0.3861 0.3861 1.5909 1.5909 2.5878 2.5878 2.7285 2.7285 3.5233 3.5233 6.3980 6.3980 6.4294 6.4294 7.5810 7.5810 7.6997 7.6997 k = 0.3889 0.3889 0.2802 ( 7892 PWs) bands (ev): -47.2517 -47.2517 -47.2512 -47.2512 -19.3097 -19.3097 -19.3069 -19.3069 -19.1425 -19.1425 -19.1332 -19.1332 -19.1227 -19.1227 -19.1143 -19.1143 -2.8306 -2.8306 -2.1465 -2.1465 -0.0657 -0.0657 0.4725 0.4725 1.5342 1.5342 2.6168 2.6168 2.7734 2.7734 3.6097 3.6097 6.3574 6.3574 6.3979 6.3979 7.6077 7.6077 7.7379 7.7379 k = 0.3796 0.3796 0.2802 ( 7880 PWs) bands (ev): -47.2517 -47.2517 -47.2512 -47.2512 -19.3098 -19.3098 -19.3065 -19.3065 -19.1426 -19.1426 -19.1327 -19.1327 -19.1230 -19.1230 -19.1141 -19.1141 -2.9175 -2.9175 -2.1542 -2.1542 -0.0307 -0.0307 0.5582 0.5582 1.4821 1.4821 2.6483 2.6483 2.8218 2.8218 3.6915 3.6915 6.3209 6.3209 6.3707 6.3707 7.6367 7.6367 7.7780 7.7780 k = 0.3704 0.3704 0.2802 ( 7884 PWs) bands (ev): -47.2518 -47.2518 -47.2512 -47.2512 -19.3099 -19.3099 -19.3062 -19.3062 -19.1427 -19.1427 -19.1321 -19.1321 -19.1234 -19.1234 -19.1139 -19.1139 -3.0045 -3.0045 -2.1630 -2.1630 0.0070 0.0070 0.6426 0.6426 1.4348 1.4348 2.6822 2.6822 2.8734 2.8734 3.7676 3.7676 6.2897 6.2897 6.3485 6.3485 7.6678 7.6678 7.8198 7.8198 k = 0.3611 0.3611 0.2802 ( 7890 PWs) bands (ev): -47.2519 -47.2519 -47.2511 -47.2511 -19.3101 -19.3101 -19.3059 -19.3059 -19.1427 -19.1427 -19.1316 -19.1316 -19.1238 -19.1238 -19.1137 -19.1137 -3.0914 -3.0914 -2.1730 -2.1730 0.0475 0.0475 0.7251 0.7251 1.3925 1.3925 2.7187 2.7187 2.9281 2.9281 3.8372 3.8372 6.2652 6.2652 6.3323 6.3323 7.7012 7.7012 7.8635 7.8635 k = 0.3519 0.3519 0.2802 ( 7898 PWs) bands (ev): -47.2519 -47.2519 -47.2511 -47.2511 -19.3102 -19.3102 -19.3056 -19.3056 -19.1428 -19.1428 -19.1311 -19.1311 -19.1241 -19.1241 -19.1136 -19.1136 -3.1777 -3.1777 -2.1842 -2.1842 0.0908 0.0908 0.8051 0.8051 1.3552 1.3552 2.7576 2.7576 2.9854 2.9854 3.8993 3.8993 6.2485 6.2485 6.3227 6.3227 7.7367 7.7367 7.9092 7.9092 k = 0.3426 0.3426 0.2802 ( 7894 PWs) bands (ev): -47.2520 -47.2520 -47.2510 -47.2510 -19.3104 -19.3104 -19.3052 -19.3052 -19.1429 -19.1429 -19.1306 -19.1306 -19.1244 -19.1244 -19.1134 -19.1134 -3.2632 -3.2632 -2.1967 -2.1967 0.1367 0.1367 0.8822 0.8822 1.3231 1.3231 2.7990 2.7990 3.0451 3.0451 3.9531 3.9531 6.2406 6.2406 6.3205 6.3205 7.7744 7.7744 7.9568 7.9568 k = 0.3333 0.3333 0.2802 ( 7896 PWs) bands (ev): -47.2520 -47.2520 -47.2510 -47.2510 -19.3106 -19.3106 -19.3048 -19.3048 -19.1429 -19.1429 -19.1302 -19.1302 -19.1247 -19.1247 -19.1133 -19.1133 -3.3476 -3.3476 -2.2104 -2.2104 0.1854 0.1854 0.9561 0.9561 1.2963 1.2963 2.8428 2.8428 3.1069 3.1069 3.9977 3.9977 6.2424 6.2424 6.3264 6.3264 7.8141 7.8141 8.0064 8.0064 k = 0.3241 0.3241 0.2802 ( 7892 PWs) bands (ev): -47.2521 -47.2521 -47.2510 -47.2510 -19.3107 -19.3107 -19.3044 -19.3044 -19.1429 -19.1429 -19.1298 -19.1298 -19.1248 -19.1248 -19.1131 -19.1131 -3.4308 -3.4308 -2.2254 -2.2254 0.2368 0.2368 1.0265 1.0265 1.2749 1.2749 2.8890 2.8890 3.1702 3.1702 4.0329 4.0329 6.2544 6.2544 6.3411 6.3411 7.8559 7.8559 8.0580 8.0580 k = 0.3148 0.3148 0.2802 ( 7872 PWs) bands (ev): -47.2521 -47.2521 -47.2509 -47.2509 -19.3108 -19.3108 -19.3039 -19.3039 -19.1428 -19.1428 -19.1295 -19.1295 -19.1248 -19.1248 -19.1130 -19.1130 -3.5126 -3.5126 -2.2417 -2.2417 0.2909 0.2909 1.0931 1.0931 1.2589 1.2589 2.9377 2.9377 3.2347 3.2347 4.0584 4.0584 6.2770 6.2770 6.3651 6.3651 7.8997 7.8997 8.1116 8.1116 k = 0.3056 0.3056 0.2802 ( 7872 PWs) bands (ev): -47.2522 -47.2522 -47.2509 -47.2509 -19.3110 -19.3110 -19.3034 -19.3034 -19.1428 -19.1428 -19.1293 -19.1293 -19.1248 -19.1248 -19.1129 -19.1129 -3.5929 -3.5929 -2.2593 -2.2593 0.3477 0.3477 1.1558 1.1558 1.2482 1.2482 2.9888 2.9888 3.3001 3.3001 4.0744 4.0744 6.3100 6.3100 6.3990 6.3990 7.9453 7.9453 8.1673 8.1673 k = 0.2963 0.2963 0.2802 ( 7864 PWs) bands (ev): -47.2523 -47.2523 -47.2508 -47.2508 -19.3112 -19.3112 -19.3030 -19.3030 -19.1427 -19.1427 -19.1293 -19.1293 -19.1246 -19.1246 -19.1128 -19.1128 -3.6715 -3.6715 -2.2781 -2.2781 0.4071 0.4071 1.2143 1.2143 1.2430 1.2430 3.0422 3.0422 3.3660 3.3660 4.0813 4.0813 6.3530 6.3530 6.4431 6.4431 7.9928 7.9928 8.2250 8.2250 k = 0.2870 0.2870 0.2802 ( 7860 PWs) bands (ev): -47.2523 -47.2523 -47.2507 -47.2507 -19.3113 -19.3113 -19.3025 -19.3025 -19.1426 -19.1426 -19.1293 -19.1293 -19.1243 -19.1243 -19.1128 -19.1128 -3.7483 -3.7483 -2.2980 -2.2980 0.4692 0.4692 1.2431 1.2431 1.2688 1.2688 3.0980 3.0980 3.4322 3.4322 4.0798 4.0798 6.4053 6.4053 6.4977 6.4977 8.0421 8.0421 8.2847 8.2847 k = 0.2778 0.2778 0.2802 ( 7862 PWs) bands (ev): -47.2524 -47.2524 -47.2507 -47.2507 -19.3115 -19.3115 -19.3021 -19.3021 -19.1425 -19.1425 -19.1295 -19.1295 -19.1240 -19.1240 -19.1127 -19.1127 -3.8233 -3.8233 -2.3190 -2.3190 0.5339 0.5339 1.2484 1.2484 1.3190 1.3190 3.1562 3.1562 3.4984 3.4984 4.0708 4.0708 6.4662 6.4662 6.5630 6.5630 8.0929 8.0929 8.3465 8.3465 k = 0.2685 0.2685 0.2802 ( 7866 PWs) bands (ev): -47.2525 -47.2525 -47.2506 -47.2506 -19.3117 -19.3117 -19.3016 -19.3016 -19.1424 -19.1424 -19.1297 -19.1297 -19.1235 -19.1235 -19.1127 -19.1127 -3.8963 -3.8963 -2.3410 -2.3410 0.6012 0.6012 1.2590 1.2590 1.3650 1.3650 3.2167 3.2167 3.5645 3.5645 4.0553 4.0553 6.5346 6.5346 6.6390 6.6390 8.1452 8.1452 8.4103 8.4103 k = 0.2593 0.2593 0.2802 ( 7870 PWs) bands (ev): -47.2525 -47.2525 -47.2506 -47.2506 -19.3119 -19.3119 -19.3011 -19.3011 -19.1424 -19.1424 -19.1299 -19.1299 -19.1231 -19.1231 -19.1127 -19.1127 -3.9673 -3.9673 -2.3638 -2.3638 0.6710 0.6710 1.2747 1.2747 1.4069 1.4069 3.2794 3.2794 3.6304 3.6304 4.0343 4.0343 6.6095 6.6095 6.7256 6.7256 8.1985 8.1985 8.4761 8.4761 k = 0.2500 0.2500 0.2802 ( 7882 PWs) bands (ev): -47.2526 -47.2526 -47.2505 -47.2505 -19.3121 -19.3121 -19.3007 -19.3007 -19.1423 -19.1423 -19.1302 -19.1302 -19.1226 -19.1226 -19.1127 -19.1127 -4.0362 -4.0362 -2.3874 -2.3874 0.7434 0.7434 1.2954 1.2954 1.4446 1.4446 3.3444 3.3444 3.6963 3.6963 4.0086 4.0086 6.6900 6.6900 6.8226 6.8226 8.2520 8.2520 8.5438 8.5438 k = 0.2407 0.2407 0.2802 ( 7888 PWs) bands (ev): -47.2527 -47.2527 -47.2505 -47.2505 -19.3123 -19.3123 -19.3002 -19.3002 -19.1421 -19.1421 -19.1305 -19.1305 -19.1221 -19.1221 -19.1127 -19.1127 -4.1029 -4.1029 -2.4116 -2.4116 0.8183 0.8183 1.3209 1.3209 1.4784 1.4784 3.4116 3.4116 3.7622 3.7622 3.9792 3.9792 6.7749 6.7749 6.9297 6.9297 8.3035 8.3035 8.6133 8.6133 k = 0.2315 0.2315 0.2802 ( 7888 PWs) bands (ev): -47.2527 -47.2527 -47.2504 -47.2504 -19.3125 -19.3125 -19.2997 -19.2997 -19.1420 -19.1420 -19.1307 -19.1307 -19.1216 -19.1216 -19.1127 -19.1127 -4.1675 -4.1675 -2.4362 -2.4362 0.8957 0.8957 1.3511 1.3511 1.5082 1.5082 3.4810 3.4810 3.8281 3.8281 3.9469 3.9469 6.8634 6.8634 7.0463 7.0463 8.3414 8.3414 8.5894 8.5894 k = 0.2222 0.2222 0.2802 ( 7890 PWs) bands (ev): -47.2528 -47.2528 -47.2504 -47.2504 -19.3127 -19.3127 -19.2993 -19.2993 -19.1419 -19.1419 -19.1310 -19.1310 -19.1211 -19.1211 -19.1128 -19.1128 -4.2298 -4.2298 -2.4612 -2.4612 0.9755 0.9755 1.3858 1.3858 1.5344 1.5344 3.5525 3.5525 3.8936 3.8936 3.9132 3.9132 6.9544 6.9544 7.1720 7.1720 8.2921 8.2921 8.4982 8.4982 k = 0.2130 0.2130 0.2802 ( 7898 PWs) bands (ev): -47.2529 -47.2529 -47.2503 -47.2503 -19.3128 -19.3128 -19.2988 -19.2988 -19.1417 -19.1417 -19.1313 -19.1313 -19.1206 -19.1206 -19.1128 -19.1128 -4.2898 -4.2898 -2.4864 -2.4864 1.0577 1.0577 1.4248 1.4248 1.5570 1.5570 3.6260 3.6260 3.8756 3.8756 3.9617 3.9617 7.0466 7.0466 7.3062 7.3062 8.1266 8.1266 8.5230 8.5230 k = 0.2037 0.2037 0.2802 ( 7894 PWs) bands (ev): -47.2530 -47.2530 -47.2503 -47.2503 -19.3130 -19.3130 -19.2984 -19.2984 -19.1416 -19.1416 -19.1315 -19.1315 -19.1201 -19.1201 -19.1129 -19.1129 -4.3474 -4.3474 -2.5116 -2.5116 1.1422 1.1422 1.4680 1.4680 1.5763 1.5763 3.7014 3.7014 3.8383 3.8383 4.0291 4.0291 7.1382 7.1382 7.4482 7.4482 7.9388 7.9388 8.3508 8.3508 k = 0.1944 0.1944 0.2802 ( 7900 PWs) bands (ev): -47.2530 -47.2530 -47.2502 -47.2502 -19.3131 -19.3131 -19.2979 -19.2979 -19.1414 -19.1414 -19.1318 -19.1318 -19.1196 -19.1196 -19.1129 -19.1129 -4.4028 -4.4028 -2.5367 -2.5367 1.2289 1.2289 1.5151 1.5151 1.5924 1.5924 3.7776 3.7776 3.8013 3.8013 4.0972 4.0972 7.2259 7.2259 7.5974 7.5974 7.7487 7.7487 8.1824 8.1824 k = 0.1852 0.1852 0.2802 ( 7896 PWs) bands (ev): -47.2531 -47.2531 -47.2502 -47.2502 -19.3133 -19.3133 -19.2975 -19.2975 -19.1413 -19.1413 -19.1320 -19.1320 -19.1191 -19.1191 -19.1130 -19.1130 -4.4557 -4.4557 -2.5616 -2.5616 1.3178 1.3178 1.5659 1.5659 1.6057 1.6057 3.7607 3.7607 3.8588 3.8588 4.1663 4.1663 7.3031 7.3031 7.5595 7.5595 7.7531 7.7531 8.0302 8.0302 k = 0.1759 0.1759 0.2802 ( 7902 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3135 -19.3135 -19.2970 -19.2970 -19.1411 -19.1411 -19.1322 -19.1322 -19.1187 -19.1187 -19.1130 -19.1130 -4.5061 -4.5061 -2.5861 -2.5861 1.4088 1.4088 1.6159 1.6159 1.6208 1.6208 3.7219 3.7219 3.9396 3.9396 4.2361 4.2361 7.3528 7.3528 7.3732 7.3732 7.9096 7.9096 7.9154 7.9154 k = 0.1667 0.1667 0.2802 ( 7900 PWs) bands (ev): -47.2532 -47.2532 -47.2501 -47.2501 -19.3136 -19.3136 -19.2966 -19.2966 -19.1410 -19.1410 -19.1325 -19.1325 -19.1182 -19.1182 -19.1131 -19.1131 -4.5542 -4.5542 -2.6102 -2.6102 1.5018 1.5018 1.6246 1.6246 1.6780 1.6780 3.6831 3.6831 4.0222 4.0222 4.3069 4.3069 7.1874 7.1874 7.3483 7.3483 7.8526 7.8526 8.0810 8.0810 k = 0.1574 0.1574 0.2802 ( 7888 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3137 -19.3137 -19.2961 -19.2961 -19.1409 -19.1409 -19.1326 -19.1326 -19.1177 -19.1177 -19.1131 -19.1131 -4.5997 -4.5997 -2.6336 -2.6336 1.5964 1.5964 1.6310 1.6310 1.7387 1.7387 3.6444 3.6444 4.1062 4.1062 4.3783 4.3783 7.0055 7.0055 7.2728 7.2728 7.8708 7.8708 8.2516 8.2516 k = 0.1481 0.1481 0.2802 ( 7880 PWs) bands (ev): -47.2533 -47.2533 -47.2500 -47.2500 -19.3138 -19.3138 -19.2957 -19.2957 -19.1407 -19.1407 -19.1328 -19.1328 -19.1173 -19.1173 -19.1132 -19.1132 -4.6427 -4.6427 -2.6562 -2.6562 1.6349 1.6349 1.6934 1.6934 1.8021 1.8021 3.6059 3.6059 4.1916 4.1916 4.4504 4.4504 6.8267 6.8267 7.1545 7.1545 7.9378 7.9378 8.4253 8.4253 k = 0.1389 0.1389 0.2802 ( 7882 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3140 -19.3140 -19.2953 -19.2953 -19.1407 -19.1407 -19.1329 -19.1329 -19.1169 -19.1169 -19.1132 -19.1132 -4.6833 -4.6833 -2.6780 -2.6780 1.6377 1.6377 1.7914 1.7914 1.8681 1.8681 3.5679 3.5679 4.2780 4.2780 4.5228 4.5228 6.6511 6.6511 7.0199 7.0199 8.0275 8.0275 8.6011 8.6011 k = 0.1296 0.1296 0.2802 ( 7880 PWs) bands (ev): -47.2534 -47.2534 -47.2499 -47.2499 -19.3141 -19.3141 -19.2949 -19.2949 -19.1406 -19.1406 -19.1331 -19.1331 -19.1165 -19.1165 -19.1133 -19.1133 -4.7212 -4.7212 -2.6989 -2.6989 1.6392 1.6392 1.8908 1.8908 1.9364 1.9364 3.5301 3.5301 4.3652 4.3652 4.5954 4.5954 6.4791 6.4791 6.8810 6.8810 8.1280 8.1280 8.6454 8.6454 k = 0.1204 0.1204 0.2802 ( 7884 PWs) bands (ev): -47.2535 -47.2535 -47.2499 -47.2499 -19.3142 -19.3142 -19.2946 -19.2946 -19.1405 -19.1405 -19.1332 -19.1332 -19.1161 -19.1161 -19.1133 -19.1133 -4.7567 -4.7567 -2.7187 -2.7187 1.6394 1.6394 1.9912 1.9912 2.0065 2.0065 3.4927 3.4927 4.4529 4.4529 4.6676 4.6676 6.3110 6.3110 6.7431 6.7431 8.2343 8.2343 8.5052 8.5052 k = 0.1111 0.1111 0.2802 ( 7884 PWs) bands (ev): -47.2535 -47.2535 -47.2498 -47.2498 -19.3144 -19.3144 -19.2943 -19.2943 -19.1404 -19.1404 -19.1333 -19.1333 -19.1158 -19.1158 -19.1134 -19.1134 -4.7895 -4.7895 -2.7374 -2.7374 1.6388 1.6388 2.0782 2.0782 2.0923 2.0923 3.4554 3.4554 4.5408 4.5408 4.7392 4.7392 6.1472 6.1472 6.6090 6.6090 8.3431 8.3431 8.3693 8.3693 k = 0.1019 0.1019 0.2802 ( 7900 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3145 -19.3145 -19.2940 -19.2940 -19.1404 -19.1404 -19.1335 -19.1335 -19.1155 -19.1155 -19.1135 -19.1135 -4.8198 -4.8198 -2.7548 -2.7548 1.6375 1.6375 2.1512 2.1512 2.1937 2.1937 3.4183 3.4183 4.6284 4.6284 4.8096 4.8096 5.9880 5.9880 6.4801 6.4801 8.2347 8.2347 8.4569 8.4569 k = 0.0926 0.0926 0.2802 ( 7892 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3146 -19.3146 -19.2937 -19.2937 -19.1403 -19.1403 -19.1335 -19.1335 -19.1152 -19.1152 -19.1136 -19.1136 -4.8475 -4.8475 -2.7710 -2.7710 1.6357 1.6357 2.2250 2.2250 2.2947 2.2947 3.3811 3.3811 4.7151 4.7151 4.8781 4.8781 5.8342 5.8342 6.3577 6.3577 8.1062 8.1062 8.5709 8.5709 k = 0.0833 0.0833 0.2802 ( 7896 PWs) bands (ev): -47.2536 -47.2536 -47.2498 -47.2498 -19.3147 -19.3147 -19.2934 -19.2934 -19.1403 -19.1403 -19.1336 -19.1336 -19.1149 -19.1149 -19.1136 -19.1136 -4.8726 -4.8726 -2.7859 -2.7859 1.6335 1.6335 2.2992 2.2992 2.3948 2.3948 3.3436 3.3436 4.8001 4.8001 4.9442 4.9442 5.6863 5.6863 6.2428 6.2428 7.9828 7.9828 8.6862 8.6862 k = 0.0741 0.0741 0.2802 ( 7908 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3148 -19.3148 -19.2932 -19.2932 -19.1403 -19.1403 -19.1337 -19.1337 -19.1147 -19.1147 -19.1137 -19.1137 -4.8950 -4.8950 -2.7993 -2.7993 1.6312 1.6312 2.3735 2.3735 2.4930 2.4930 3.3055 3.3055 4.8827 4.8827 5.0071 5.0071 5.5452 5.5452 6.1363 6.1363 7.8657 7.8657 8.8023 8.8023 k = 0.0648 0.0648 0.2802 ( 7898 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3148 -19.3148 -19.2929 -19.2929 -19.1403 -19.1403 -19.1337 -19.1337 -19.1145 -19.1145 -19.1137 -19.1137 -4.9149 -4.9149 -2.8112 -2.8112 1.6288 1.6288 2.4472 2.4472 2.5882 2.5882 3.2665 3.2665 4.9617 4.9617 5.0659 5.0659 5.4123 5.4123 6.0393 6.0393 7.7560 7.7560 8.8923 8.8923 k = 0.0556 0.0556 0.2802 ( 7896 PWs) bands (ev): -47.2537 -47.2537 -47.2497 -47.2497 -19.3149 -19.3149 -19.2928 -19.2928 -19.1402 -19.1402 -19.1337 -19.1337 -19.1143 -19.1143 -19.1137 -19.1137 -4.9321 -4.9321 -2.8217 -2.8217 1.6265 1.6265 2.5198 2.5198 2.6788 2.6788 3.2264 3.2264 5.0358 5.0358 5.1198 5.1198 5.2889 5.2889 5.9527 5.9527 7.6550 7.6550 8.8138 8.8138 k = 0.0463 0.0463 0.2802 ( 7908 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3150 -19.3150 -19.2926 -19.2926 -19.1403 -19.1403 -19.1338 -19.1338 -19.1142 -19.1142 -19.1137 -19.1137 -4.9466 -4.9466 -2.8306 -2.8306 1.6244 1.6244 2.5908 2.5908 2.7629 2.7629 3.1849 3.1849 5.1033 5.1033 5.1678 5.1678 5.1771 5.1771 5.8773 5.8773 7.5645 7.5645 8.7438 8.7438 k = 0.0370 0.0370 0.2802 ( 7916 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3150 -19.3150 -19.2925 -19.2925 -19.1403 -19.1403 -19.1338 -19.1338 -19.1142 -19.1142 -19.1137 -19.1137 -4.9586 -4.9586 -2.8380 -2.8380 1.6225 1.6225 2.6595 2.6595 2.8381 2.8381 3.1418 3.1418 5.0791 5.0791 5.1623 5.1623 5.2093 5.2093 5.8141 5.8141 7.4862 7.4862 8.6844 8.6844 k = 0.0278 0.0278 0.2802 ( 7928 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2924 -19.2924 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1136 -19.1136 -4.9679 -4.9679 -2.8437 -2.8437 1.6210 1.6210 2.7248 2.7248 2.9016 2.9016 3.0973 3.0973 4.9980 4.9980 5.2103 5.2103 5.2437 5.2437 5.7640 5.7640 7.4221 7.4221 8.6369 8.6369 k = 0.0185 0.0185 0.2802 ( 7926 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3151 -19.3151 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1136 -19.1136 -4.9745 -4.9745 -2.8478 -2.8478 1.6199 1.6199 2.7851 2.7851 2.9502 2.9502 3.0525 3.0525 4.9368 4.9368 5.2449 5.2449 5.2704 5.2704 5.7276 5.7276 7.3745 7.3745 8.6022 8.6022 k = 0.0093 0.0093 0.2802 ( 7932 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1136 -19.1136 -4.9785 -4.9785 -2.8503 -2.8503 1.6192 1.6192 2.8355 2.8355 2.9809 2.9809 3.0116 3.0116 4.8985 4.8985 5.2651 5.2651 5.2882 5.2882 5.7055 5.7055 7.3450 7.3450 8.5810 8.5810 k = 0.0000 0.0000 0.2802 ( 7924 PWs) bands (ev): -47.2538 -47.2538 -47.2497 -47.2497 -19.3152 -19.3152 -19.2923 -19.2923 -19.1403 -19.1403 -19.1339 -19.1339 -19.1141 -19.1141 -19.1135 -19.1135 -4.9798 -4.9798 -2.8511 -2.8511 1.6190 1.6190 2.8589 2.8589 2.9911 2.9911 2.9917 2.9917 4.8855 4.8855 5.2716 5.2716 5.2946 5.2946 5.6981 5.6981 7.3350 7.3350 8.5739 8.5739 k = 0.0000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2849 -3.2849 -3.2849 -3.2849 0.4008 0.4008 0.4008 0.4008 2.9016 2.9016 2.9016 2.9016 4.5058 4.5058 4.5058 4.5058 6.9150 6.9150 6.9150 6.9150 8.3642 8.3642 8.3642 8.3642 k = 0.0000 0.5000 0.0127 ( 7888 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2847 -3.2847 -3.2847 -3.2847 0.3991 0.3991 0.3991 0.3991 2.9057 2.9057 2.9057 2.9057 4.5058 4.5058 4.5058 4.5058 6.9144 6.9144 6.9144 6.9144 8.3398 8.3398 8.3398 8.3398 k = 0.0000 0.5000 0.0255 ( 7894 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2843 -3.2843 -3.2843 -3.2843 0.3940 0.3940 0.3940 0.3940 2.9178 2.9178 2.9178 2.9178 4.5060 4.5060 4.5060 4.5060 6.9126 6.9126 6.9126 6.9126 8.2737 8.2737 8.2737 8.2737 k = 0.0000 0.5000 0.0382 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2836 -3.2836 -3.2836 -3.2836 0.3857 0.3857 0.3857 0.3857 2.9378 2.9378 2.9378 2.9378 4.5062 4.5062 4.5062 4.5062 6.9094 6.9094 6.9094 6.9094 8.1799 8.1799 8.1799 8.1799 k = 0.0000 0.5000 0.0509 ( 7896 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2826 -3.2826 -3.2826 -3.2826 0.3744 0.3744 0.3744 0.3744 2.9652 2.9652 2.9652 2.9652 4.5065 4.5065 4.5065 4.5065 6.9044 6.9044 6.9044 6.9044 8.0708 8.0708 8.0708 8.0708 k = 0.0000 0.5000 0.0637 ( 7892 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2814 -3.2814 -3.2814 -3.2814 0.3605 0.3605 0.3605 0.3605 2.9998 2.9998 2.9998 2.9998 4.5069 4.5069 4.5069 4.5069 6.8971 6.8971 6.8971 6.8971 7.9543 7.9543 7.9543 7.9543 k = 0.0000 0.5000 0.0764 ( 7900 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2800 -3.2800 -3.2800 -3.2800 0.3445 0.3445 0.3445 0.3445 3.0409 3.0409 3.0409 3.0409 4.5074 4.5074 4.5074 4.5074 6.8867 6.8867 6.8867 6.8867 7.8361 7.8361 7.8361 7.8361 k = 0.0000 0.5000 0.0892 ( 7894 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2783 -3.2783 -3.2783 -3.2783 0.3266 0.3266 0.3266 0.3266 3.0879 3.0879 3.0879 3.0879 4.5079 4.5079 4.5079 4.5079 6.8720 6.8720 6.8720 6.8720 7.7200 7.7200 7.7200 7.7200 k = 0.0000 0.5000 0.1019 ( 7890 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2765 -3.2765 -3.2765 -3.2765 0.3075 0.3075 0.3075 0.3075 3.1401 3.1401 3.1401 3.1401 4.5085 4.5085 4.5085 4.5085 6.8512 6.8512 6.8513 6.8513 7.6096 7.6096 7.6096 7.6096 k = 0.0000 0.5000 0.1146 ( 7886 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2746 -3.2746 -3.2746 -3.2746 0.2875 0.2875 0.2875 0.2875 3.1968 3.1968 3.1968 3.1968 4.5091 4.5091 4.5091 4.5091 6.8225 6.8225 6.8225 6.8225 7.5084 7.5084 7.5084 7.5084 k = 0.0000 0.5000 0.1274 ( 7890 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2726 -3.2726 -3.2726 -3.2726 0.2671 0.2671 0.2671 0.2671 3.2571 3.2571 3.2571 3.2571 4.5098 4.5098 4.5098 4.5098 6.7833 6.7833 6.7834 6.7834 7.4198 7.4198 7.4198 7.4198 k = 0.0000 0.5000 0.1401 ( 7898 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2705 -3.2705 -3.2705 -3.2705 0.2467 0.2467 0.2468 0.2468 3.3203 3.3203 3.3203 3.3203 4.5104 4.5104 4.5104 4.5104 6.7323 6.7323 6.7323 6.7323 7.3463 7.3463 7.3463 7.3463 k = 0.0000 0.5000 0.1528 ( 7906 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3068 -19.3068 -19.3068 -19.3068 -19.1371 -19.1371 -19.1371 -19.1371 -19.1167 -19.1167 -19.1167 -19.1167 -3.2684 -3.2684 -3.2684 -3.2684 0.2268 0.2268 0.2268 0.2268 3.3852 3.3852 3.3852 3.3852 4.5111 4.5111 4.5111 4.5111 6.6693 6.6693 6.6693 6.6693 7.2888 7.2888 7.2888 7.2888 k = 0.0000 0.5000 0.1656 ( 7880 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2664 -3.2664 -3.2664 -3.2664 0.2077 0.2077 0.2077 0.2077 3.4509 3.4509 3.4509 3.4509 4.5117 4.5117 4.5117 4.5117 6.5968 6.5968 6.5968 6.5968 7.2460 7.2460 7.2460 7.2460 k = 0.0000 0.5000 0.1783 ( 7872 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2644 -3.2644 -3.2644 -3.2644 0.1897 0.1897 0.1897 0.1897 3.5162 3.5162 3.5162 3.5162 4.5124 4.5124 4.5124 4.5124 6.5184 6.5184 6.5184 6.5184 7.2151 7.2151 7.2151 7.2151 k = 0.0000 0.5000 0.1910 ( 7868 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2626 -3.2626 -3.2626 -3.2626 0.1732 0.1732 0.1732 0.1732 3.5798 3.5798 3.5798 3.5798 4.5129 4.5129 4.5130 4.5130 6.4384 6.4384 6.4384 6.4384 7.1932 7.1932 7.1932 7.1932 k = 0.0000 0.5000 0.2038 ( 7876 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2609 -3.2609 -3.2609 -3.2609 0.1583 0.1583 0.1583 0.1583 3.6401 3.6401 3.6401 3.6401 4.5135 4.5135 4.5135 4.5135 6.3605 6.3605 6.3605 6.3605 7.1778 7.1778 7.1778 7.1778 k = 0.0000 0.5000 0.2165 ( 7884 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2594 -3.2594 -3.2594 -3.2594 0.1454 0.1454 0.1454 0.1454 3.6957 3.6957 3.6957 3.6957 4.5140 4.5140 4.5140 4.5140 6.2881 6.2881 6.2881 6.2881 7.1669 7.1669 7.1669 7.1669 k = 0.0000 0.5000 0.2292 ( 7890 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2582 -3.2582 -3.2582 -3.2582 0.1345 0.1345 0.1345 0.1345 3.7446 3.7446 3.7446 3.7446 4.5144 4.5144 4.5144 4.5144 6.2242 6.2242 6.2242 6.2242 7.1594 7.1594 7.1594 7.1594 k = 0.0000 0.5000 0.2420 ( 7878 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1167 -19.1167 -19.1167 -19.1167 -3.2571 -3.2571 -3.2571 -3.2571 0.1259 0.1259 0.1259 0.1259 3.7852 3.7852 3.7852 3.7852 4.5147 4.5147 4.5147 4.5147 6.1714 6.1714 6.1714 6.1714 7.1543 7.1543 7.1543 7.1543 k = 0.0000 0.5000 0.2547 ( 7866 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2564 -3.2564 -3.2564 -3.2564 0.1197 0.1197 0.1197 0.1197 3.8157 3.8157 3.8157 3.8157 4.5150 4.5150 4.5150 4.5150 6.1318 6.1318 6.1318 6.1318 7.1510 7.1510 7.1510 7.1510 k = 0.0000 0.5000 0.2675 ( 7860 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2560 -3.2560 -3.2560 -3.2560 0.1159 0.1159 0.1159 0.1159 3.8347 3.8347 3.8347 3.8347 4.5151 4.5151 4.5151 4.5151 6.1073 6.1073 6.1073 6.1073 7.1492 7.1492 7.1492 7.1492 k = 0.0000 0.5000 0.2802 ( 7868 PWs) bands (ev): -47.2516 -47.2516 -47.2516 -47.2516 -19.3067 -19.3067 -19.3067 -19.3067 -19.1370 -19.1370 -19.1370 -19.1370 -19.1166 -19.1166 -19.1166 -19.1166 -3.2558 -3.2558 -3.2558 -3.2558 0.1147 0.1147 0.1147 0.1147 3.8411 3.8411 3.8411 3.8411 4.5151 4.5151 4.5152 4.5152 6.0990 6.0990 6.0990 6.0990 7.1486 7.1486 7.1486 7.1486 k = 0.5000 0.5000-0.0000 ( 7876 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1391 -19.1391 -19.1391 -19.1391 -19.1179 -19.1179 -19.1179 -19.1179 -2.1268 -2.1268 -2.1268 -2.1268 -0.2995 -0.2995 -0.2995 -0.2995 2.6753 2.6753 2.6753 2.6753 2.6939 2.6939 2.6939 2.6939 5.8836 5.8836 5.8836 5.8836 5.9238 5.9238 5.9238 5.9238 k = 0.5000 0.5000 0.0127 ( 7876 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1391 -19.1391 -19.1391 -19.1391 -19.1179 -19.1179 -19.1179 -19.1179 -2.1267 -2.1267 -2.1267 -2.1267 -0.2993 -0.2993 -0.2993 -0.2993 2.6739 2.6739 2.6739 2.6739 2.6927 2.6927 2.6927 2.6927 5.8882 5.8882 5.8882 5.8882 5.9274 5.9274 5.9274 5.9274 k = 0.5000 0.5000 0.0255 ( 7872 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1391 -19.1391 -19.1391 -19.1391 -19.1178 -19.1178 -19.1178 -19.1178 -2.1265 -2.1265 -2.1265 -2.1265 -0.2989 -0.2989 -0.2989 -0.2989 2.6698 2.6698 2.6698 2.6698 2.6893 2.6893 2.6893 2.6893 5.9020 5.9020 5.9020 5.9020 5.9380 5.9380 5.9380 5.9380 k = 0.5000 0.5000 0.0382 ( 7904 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1261 -2.1261 -2.1261 -2.1261 -0.2981 -0.2981 -0.2981 -0.2981 2.6631 2.6631 2.6631 2.6631 2.6836 2.6836 2.6836 2.6836 5.9248 5.9248 5.9248 5.9248 5.9555 5.9555 5.9555 5.9555 k = 0.5000 0.5000 0.0509 ( 7896 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1256 -2.1256 -2.1256 -2.1256 -0.2970 -0.2970 -0.2970 -0.2970 2.6541 2.6541 2.6541 2.6541 2.6759 2.6759 2.6759 2.6759 5.9565 5.9565 5.9565 5.9565 5.9797 5.9797 5.9797 5.9797 k = 0.5000 0.5000 0.0637 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1250 -2.1250 -2.1250 -2.1250 -0.2957 -0.2957 -0.2957 -0.2957 2.6428 2.6428 2.6428 2.6428 2.6664 2.6664 2.6664 2.6664 5.9965 5.9965 5.9965 5.9965 6.0104 6.0104 6.0104 6.0104 k = 0.5000 0.5000 0.0764 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1242 -2.1242 -2.1242 -2.1242 -0.2941 -0.2941 -0.2941 -0.2941 2.6297 2.6297 2.6297 2.6297 2.6552 2.6552 2.6552 2.6552 6.0428 6.0428 6.0428 6.0428 6.0492 6.0492 6.0492 6.0492 k = 0.5000 0.5000 0.0892 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1234 -2.1234 -2.1234 -2.1234 -0.2924 -0.2924 -0.2924 -0.2924 2.6151 2.6151 2.6151 2.6151 2.6428 2.6428 2.6428 2.6428 6.0869 6.0869 6.0869 6.0869 6.1034 6.1034 6.1034 6.1034 k = 0.5000 0.5000 0.1019 ( 7916 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1224 -2.1224 -2.1224 -2.1224 -0.2904 -0.2904 -0.2904 -0.2904 2.5993 2.5993 2.5993 2.5993 2.6294 2.6294 2.6294 2.6294 6.1336 6.1336 6.1336 6.1336 6.1674 6.1674 6.1674 6.1674 k = 0.5000 0.5000 0.1146 ( 7928 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1393 -19.1393 -19.1393 -19.1393 -19.1180 -19.1180 -19.1180 -19.1180 -2.1214 -2.1214 -2.1214 -2.1214 -0.2883 -0.2883 -0.2883 -0.2883 2.5827 2.5827 2.5827 2.5827 2.6152 2.6152 2.6152 2.6152 6.1843 6.1843 6.1843 6.1843 6.2388 6.2388 6.2388 6.2388 k = 0.5000 0.5000 0.1274 ( 7928 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1393 -19.1393 -19.1393 -19.1393 -19.1180 -19.1180 -19.1180 -19.1180 -2.1203 -2.1203 -2.1203 -2.1203 -0.2861 -0.2861 -0.2861 -0.2861 2.5656 2.5656 2.5656 2.5656 2.6007 2.6007 2.6007 2.6007 6.2383 6.2383 6.2383 6.2383 6.3171 6.3171 6.3171 6.3171 k = 0.5000 0.5000 0.1401 ( 7932 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1393 -19.1393 -19.1393 -19.1393 -19.1180 -19.1180 -19.1180 -19.1180 -2.1193 -2.1193 -2.1193 -2.1193 -0.2838 -0.2838 -0.2838 -0.2838 2.5485 2.5485 2.5485 2.5485 2.5860 2.5860 2.5860 2.5860 6.2948 6.2948 6.2948 6.2948 6.4018 6.4018 6.4018 6.4018 k = 0.5000 0.5000 0.1528 ( 7908 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1182 -2.1182 -2.1182 -2.1182 -0.2816 -0.2816 -0.2816 -0.2816 2.5316 2.5316 2.5316 2.5316 2.5716 2.5716 2.5716 2.5716 6.3529 6.3529 6.3529 6.3529 6.4924 6.4924 6.4924 6.4924 k = 0.5000 0.5000 0.1656 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1171 -2.1171 -2.1171 -2.1171 -0.2793 -0.2793 -0.2793 -0.2793 2.5153 2.5153 2.5153 2.5153 2.5577 2.5577 2.5577 2.5577 6.4117 6.4117 6.4117 6.4117 6.5884 6.5884 6.5884 6.5884 k = 0.5000 0.5000 0.1783 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1161 -2.1161 -2.1161 -2.1161 -0.2772 -0.2772 -0.2772 -0.2772 2.4999 2.4999 2.4999 2.4999 2.5446 2.5446 2.5446 2.5446 6.4699 6.4699 6.4699 6.4699 6.6894 6.6894 6.6894 6.6894 k = 0.5000 0.5000 0.1910 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1152 -2.1152 -2.1152 -2.1152 -0.2752 -0.2752 -0.2752 -0.2752 2.4857 2.4857 2.4857 2.4857 2.5324 2.5324 2.5324 2.5324 6.5263 6.5263 6.5263 6.5263 6.7947 6.7947 6.7947 6.7947 k = 0.5000 0.5000 0.2038 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1143 -2.1143 -2.1143 -2.1143 -0.2733 -0.2733 -0.2733 -0.2733 2.4729 2.4729 2.4729 2.4729 2.5214 2.5214 2.5214 2.5214 6.5796 6.5796 6.5796 6.5796 6.9034 6.9034 6.9034 6.9034 k = 0.5000 0.5000 0.2165 ( 7928 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1393 -19.1393 -19.1393 -19.1393 -19.1180 -19.1180 -19.1180 -19.1180 -2.1135 -2.1135 -2.1135 -2.1135 -0.2717 -0.2717 -0.2717 -0.2717 2.4616 2.4616 2.4616 2.4616 2.5118 2.5118 2.5118 2.5118 6.6282 6.6282 6.6282 6.6282 7.0145 7.0145 7.0145 7.0145 k = 0.5000 0.5000 0.2292 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1129 -2.1129 -2.1129 -2.1129 -0.2703 -0.2703 -0.2703 -0.2703 2.4522 2.4522 2.4522 2.4522 2.5037 2.5037 2.5037 2.5037 6.6708 6.6708 6.6708 6.6708 7.1260 7.1260 7.1260 7.1260 k = 0.5000 0.5000 0.2420 ( 7936 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1393 -19.1393 -19.1393 -19.1393 -19.1180 -19.1180 -19.1180 -19.1180 -2.1123 -2.1123 -2.1123 -2.1123 -0.2692 -0.2692 -0.2692 -0.2692 2.4447 2.4447 2.4447 2.4447 2.4973 2.4973 2.4973 2.4973 6.7059 6.7059 6.7059 6.7059 7.2346 7.2346 7.2346 7.2346 k = 0.5000 0.5000 0.2547 ( 7920 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3089 -19.3089 -19.3089 -19.3089 -19.1392 -19.1392 -19.1392 -19.1392 -19.1180 -19.1180 -19.1180 -19.1180 -2.1120 -2.1120 -2.1120 -2.1120 -0.2684 -0.2684 -0.2684 -0.2684 2.4393 2.4393 2.4393 2.4393 2.4927 2.4927 2.4927 2.4927 6.7320 6.7320 6.7320 6.7320 7.3337 7.3337 7.3337 7.3337 k = 0.5000 0.5000 0.2675 ( 7904 PWs) bands (ev): -47.2514 -47.2514 -47.2514 -47.2514 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1117 -2.1117 -2.1117 -2.1117 -0.2679 -0.2679 -0.2679 -0.2679 2.4360 2.4360 2.4360 2.4360 2.4898 2.4898 2.4898 2.4898 6.7482 6.7482 6.7482 6.7482 7.4094 7.4094 7.4094 7.4094 k = 0.5000 0.5000 0.2802 ( 7912 PWs) bands (ev): -47.2515 -47.2515 -47.2515 -47.2515 -19.3088 -19.3088 -19.3088 -19.3088 -19.1392 -19.1392 -19.1392 -19.1392 -19.1179 -19.1179 -19.1179 -19.1179 -2.1116 -2.1116 -2.1116 -2.1116 -0.2677 -0.2677 -0.2677 -0.2677 2.4349 2.4349 2.4349 2.4349 2.4889 2.4889 2.4889 2.4889 6.7537 6.7537 6.7537 6.7537 7.4393 7.4393 7.4393 7.4393 Writing output data file NaAlSi.save init_run : 0.30s CPU 1.69s WALL ( 1 calls) electrons : 152.63s CPU 154.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 152.63s CPU 154.53s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.12s WALL ( 335 calls) cegterg : 134.41s CPU 135.70s WALL ( 370 calls) Called by sum_band: Called by *egterg: h_psi : 98.66s CPU 99.80s WALL ( 5912 calls) s_psi : 5.19s CPU 5.38s WALL ( 5912 calls) g_psi : 0.30s CPU 0.30s WALL ( 5207 calls) cdiaghg : 28.50s CPU 28.49s WALL ( 5542 calls) cegterg:over : 5.44s CPU 5.50s WALL ( 5207 calls) cegterg:upda : 5.22s CPU 5.25s WALL ( 5207 calls) cegterg:last : 2.66s CPU 2.78s WALL ( 1040 calls) cdiaghg:chol : 1.74s CPU 1.68s WALL ( 5542 calls) cdiaghg:inve : 0.84s CPU 0.88s WALL ( 5542 calls) cdiaghg:para : 1.64s CPU 1.65s WALL ( 11084 calls) Called by h_psi: h_psi:vloc : 86.37s CPU 87.53s WALL ( 5912 calls) h_psi:vnl : 12.02s CPU 12.01s WALL ( 5912 calls) add_vuspsi : 6.27s CPU 6.16s WALL ( 5912 calls) General routines calbec : 5.74s CPU 5.83s WALL ( 5912 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 81.72s CPU 83.10s WALL ( 549316 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.28s WALL ( 670 calls) Parallel routines fft_scatter : 25.85s CPU 26.88s WALL ( 549339 calls) PWSCF : 2m51.67s CPU 3m 6.32s WALL This run was terminated on: 19:32:43 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=