Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:26:27 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: ./NaAlGe.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 44 36 10 2378 1776 274 Max 45 37 11 2385 1796 283 Sum 1597 1313 377 85709 64377 9983 bravais-lattice index = 14 lattice parameter (alat) = 7.8688 a.u. unit-cell volume = 869.0232 (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)= 7.868819 celldm(2)= 1.000000 celldm(3)= 1.783622 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 1.783622 ) 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 0.560657 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 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 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. # 3 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Na 9.00 22.98980 Na( 1.00) Al 3.00 26.98150 Al( 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 0.0127422), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.0254844), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0382266), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0509688), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.0637110), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.0764532), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.0891954), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.1019376), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.1146799), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.1274221), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.1401643), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.1529065), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.1656487), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.1783909), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.1911331), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.2038753), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.2166175), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.2293597), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.2421019), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.2548441), wk = 0.0029851 k( 155) = ( 0.0000000 0.0000000 0.2675863), wk = 0.0029851 k( 156) = ( 0.0000000 0.0000000 0.2803285), wk = 0.0029851 k( 157) = ( 0.0000000 0.0000000 0.2803285), wk = 0.0029851 k( 158) = ( 0.0000000 0.0131579 0.2803285), wk = 0.0029851 k( 159) = ( 0.0000000 0.0263158 0.2803285), wk = 0.0029851 k( 160) = ( 0.0000000 0.0394737 0.2803285), wk = 0.0029851 k( 161) = ( 0.0000000 0.0526316 0.2803285), wk = 0.0029851 k( 162) = ( 0.0000000 0.0657895 0.2803285), wk = 0.0029851 k( 163) = ( 0.0000000 0.0789474 0.2803285), wk = 0.0029851 k( 164) = ( 0.0000000 0.0921053 0.2803285), wk = 0.0029851 k( 165) = ( 0.0000000 0.1052632 0.2803285), wk = 0.0029851 k( 166) = ( 0.0000000 0.1184210 0.2803285), wk = 0.0029851 k( 167) = ( 0.0000000 0.1315790 0.2803285), wk = 0.0029851 k( 168) = ( 0.0000000 0.1447368 0.2803285), wk = 0.0029851 k( 169) = ( 0.0000000 0.1578947 0.2803285), wk = 0.0029851 k( 170) = ( 0.0000000 0.1710526 0.2803285), wk = 0.0029851 k( 171) = ( 0.0000000 0.1842105 0.2803285), wk = 0.0029851 k( 172) = ( 0.0000000 0.1973684 0.2803285), wk = 0.0029851 k( 173) = ( 0.0000000 0.2105263 0.2803285), wk = 0.0029851 k( 174) = ( 0.0000000 0.2236842 0.2803285), wk = 0.0029851 k( 175) = ( 0.0000000 0.2368421 0.2803285), wk = 0.0029851 k( 176) = ( 0.0000000 0.2500000 0.2803285), wk = 0.0029851 k( 177) = ( 0.0000000 0.2631579 0.2803285), wk = 0.0029851 k( 178) = ( 0.0000000 0.2763158 0.2803285), wk = 0.0029851 k( 179) = ( 0.0000000 0.2894737 0.2803285), wk = 0.0029851 k( 180) = ( 0.0000000 0.3026316 0.2803285), wk = 0.0029851 k( 181) = ( 0.0000000 0.3157895 0.2803285), wk = 0.0029851 k( 182) = ( 0.0000000 0.3289474 0.2803285), wk = 0.0029851 k( 183) = ( 0.0000000 0.3421053 0.2803285), wk = 0.0029851 k( 184) = ( 0.0000000 0.3552632 0.2803285), wk = 0.0029851 k( 185) = ( 0.0000000 0.3684211 0.2803285), wk = 0.0029851 k( 186) = ( 0.0000000 0.3815789 0.2803285), wk = 0.0029851 k( 187) = ( 0.0000000 0.3947368 0.2803285), wk = 0.0029851 k( 188) = ( 0.0000000 0.4078947 0.2803285), wk = 0.0029851 k( 189) = ( 0.0000000 0.4210526 0.2803285), wk = 0.0029851 k( 190) = ( 0.0000000 0.4342105 0.2803285), wk = 0.0029851 k( 191) = ( 0.0000000 0.4473684 0.2803285), wk = 0.0029851 k( 192) = ( 0.0000000 0.4605263 0.2803285), wk = 0.0029851 k( 193) = ( 0.0000000 0.4736842 0.2803285), wk = 0.0029851 k( 194) = ( 0.0000000 0.4868421 0.2803285), wk = 0.0029851 k( 195) = ( 0.0000000 0.5000000 0.2803285), wk = 0.0029851 k( 196) = ( 0.0000000 0.5000000 0.2803285), wk = 0.0029851 k( 197) = ( 0.0131579 0.5000000 0.2803285), wk = 0.0029851 k( 198) = ( 0.0263158 0.5000000 0.2803285), wk = 0.0029851 k( 199) = ( 0.0394737 0.5000000 0.2803285), wk = 0.0029851 k( 200) = ( 0.0526316 0.5000000 0.2803285), wk = 0.0029851 k( 201) = ( 0.0657895 0.5000000 0.2803285), wk = 0.0029851 k( 202) = ( 0.0789474 0.5000000 0.2803285), wk = 0.0029851 k( 203) = ( 0.0921053 0.5000000 0.2803285), wk = 0.0029851 k( 204) = ( 0.1052632 0.5000000 0.2803285), wk = 0.0029851 k( 205) = ( 0.1184210 0.5000000 0.2803285), wk = 0.0029851 k( 206) = ( 0.1315790 0.5000000 0.2803285), wk = 0.0029851 k( 207) = ( 0.1447368 0.5000000 0.2803285), wk = 0.0029851 k( 208) = ( 0.1578947 0.5000000 0.2803285), wk = 0.0029851 k( 209) = ( 0.1710526 0.5000000 0.2803285), wk = 0.0029851 k( 210) = ( 0.1842105 0.5000000 0.2803285), wk = 0.0029851 k( 211) = ( 0.1973684 0.5000000 0.2803285), wk = 0.0029851 k( 212) = ( 0.2105263 0.5000000 0.2803285), wk = 0.0029851 k( 213) = ( 0.2236842 0.5000000 0.2803285), wk = 0.0029851 k( 214) = ( 0.2368421 0.5000000 0.2803285), wk = 0.0029851 k( 215) = ( 0.2500000 0.5000000 0.2803285), wk = 0.0029851 k( 216) = ( 0.2631579 0.5000000 0.2803285), wk = 0.0029851 k( 217) = ( 0.2763158 0.5000000 0.2803285), wk = 0.0029851 k( 218) = ( 0.2894737 0.5000000 0.2803285), wk = 0.0029851 k( 219) = ( 0.3026316 0.5000000 0.2803285), wk = 0.0029851 k( 220) = ( 0.3157895 0.5000000 0.2803285), wk = 0.0029851 k( 221) = ( 0.3289474 0.5000000 0.2803285), wk = 0.0029851 k( 222) = ( 0.3421053 0.5000000 0.2803285), wk = 0.0029851 k( 223) = ( 0.3552632 0.5000000 0.2803285), wk = 0.0029851 k( 224) = ( 0.3684211 0.5000000 0.2803285), wk = 0.0029851 k( 225) = ( 0.3815789 0.5000000 0.2803285), wk = 0.0029851 k( 226) = ( 0.3947368 0.5000000 0.2803285), wk = 0.0029851 k( 227) = ( 0.4078947 0.5000000 0.2803285), wk = 0.0029851 k( 228) = ( 0.4210526 0.5000000 0.2803285), wk = 0.0029851 k( 229) = ( 0.4342105 0.5000000 0.2803285), wk = 0.0029851 k( 230) = ( 0.4473684 0.5000000 0.2803285), wk = 0.0029851 k( 231) = ( 0.4605263 0.5000000 0.2803285), wk = 0.0029851 k( 232) = ( 0.4736842 0.5000000 0.2803285), wk = 0.0029851 k( 233) = ( 0.4868421 0.5000000 0.2803285), wk = 0.0029851 k( 234) = ( 0.5000000 0.5000000 0.2803285), wk = 0.0029851 k( 235) = ( 0.5000000 0.5000000 0.2803285), wk = 0.0029851 k( 236) = ( 0.4907407 0.4907407 0.2803285), wk = 0.0029851 k( 237) = ( 0.4814815 0.4814815 0.2803285), wk = 0.0029851 k( 238) = ( 0.4722222 0.4722222 0.2803285), wk = 0.0029851 k( 239) = ( 0.4629630 0.4629630 0.2803285), wk = 0.0029851 k( 240) = ( 0.4537037 0.4537037 0.2803285), wk = 0.0029851 k( 241) = ( 0.4444444 0.4444444 0.2803285), wk = 0.0029851 k( 242) = ( 0.4351852 0.4351852 0.2803285), wk = 0.0029851 k( 243) = ( 0.4259259 0.4259259 0.2803285), wk = 0.0029851 k( 244) = ( 0.4166667 0.4166667 0.2803285), wk = 0.0029851 k( 245) = ( 0.4074074 0.4074074 0.2803285), wk = 0.0029851 k( 246) = ( 0.3981481 0.3981481 0.2803285), wk = 0.0029851 k( 247) = ( 0.3888889 0.3888889 0.2803285), wk = 0.0029851 k( 248) = ( 0.3796296 0.3796296 0.2803285), wk = 0.0029851 k( 249) = ( 0.3703704 0.3703704 0.2803285), wk = 0.0029851 k( 250) = ( 0.3611111 0.3611111 0.2803285), wk = 0.0029851 k( 251) = ( 0.3518519 0.3518518 0.2803285), wk = 0.0029851 k( 252) = ( 0.3425926 0.3425926 0.2803285), wk = 0.0029851 k( 253) = ( 0.3333333 0.3333333 0.2803285), wk = 0.0029851 k( 254) = ( 0.3240741 0.3240741 0.2803285), wk = 0.0029851 k( 255) = ( 0.3148148 0.3148148 0.2803285), wk = 0.0029851 k( 256) = ( 0.3055556 0.3055556 0.2803285), wk = 0.0029851 k( 257) = ( 0.2962963 0.2962963 0.2803285), wk = 0.0029851 k( 258) = ( 0.2870370 0.2870370 0.2803285), wk = 0.0029851 k( 259) = ( 0.2777778 0.2777778 0.2803285), wk = 0.0029851 k( 260) = ( 0.2685185 0.2685185 0.2803285), wk = 0.0029851 k( 261) = ( 0.2592593 0.2592593 0.2803285), wk = 0.0029851 k( 262) = ( 0.2500000 0.2500000 0.2803285), wk = 0.0029851 k( 263) = ( 0.2407407 0.2407407 0.2803285), wk = 0.0029851 k( 264) = ( 0.2314815 0.2314815 0.2803285), wk = 0.0029851 k( 265) = ( 0.2222222 0.2222222 0.2803285), wk = 0.0029851 k( 266) = ( 0.2129630 0.2129630 0.2803285), wk = 0.0029851 k( 267) = ( 0.2037037 0.2037037 0.2803285), wk = 0.0029851 k( 268) = ( 0.1944444 0.1944444 0.2803285), wk = 0.0029851 k( 269) = ( 0.1851852 0.1851852 0.2803285), wk = 0.0029851 k( 270) = ( 0.1759259 0.1759259 0.2803285), wk = 0.0029851 k( 271) = ( 0.1666667 0.1666667 0.2803285), wk = 0.0029851 k( 272) = ( 0.1574074 0.1574074 0.2803285), wk = 0.0029851 k( 273) = ( 0.1481482 0.1481481 0.2803285), wk = 0.0029851 k( 274) = ( 0.1388889 0.1388889 0.2803285), wk = 0.0029851 k( 275) = ( 0.1296296 0.1296296 0.2803285), wk = 0.0029851 k( 276) = ( 0.1203704 0.1203704 0.2803285), wk = 0.0029851 k( 277) = ( 0.1111111 0.1111111 0.2803285), wk = 0.0029851 k( 278) = ( 0.1018518 0.1018518 0.2803285), wk = 0.0029851 k( 279) = ( 0.0925926 0.0925926 0.2803285), wk = 0.0029851 k( 280) = ( 0.0833333 0.0833333 0.2803285), wk = 0.0029851 k( 281) = ( 0.0740741 0.0740741 0.2803285), wk = 0.0029851 k( 282) = ( 0.0648148 0.0648148 0.2803285), wk = 0.0029851 k( 283) = ( 0.0555556 0.0555556 0.2803285), wk = 0.0029851 k( 284) = ( 0.0462963 0.0462963 0.2803285), wk = 0.0029851 k( 285) = ( 0.0370370 0.0370370 0.2803285), wk = 0.0029851 k( 286) = ( 0.0277778 0.0277778 0.2803285), wk = 0.0029851 k( 287) = ( 0.0185185 0.0185185 0.2803285), wk = 0.0029851 k( 288) = ( 0.0092593 0.0092593 0.2803285), wk = 0.0029851 k( 289) = ( 0.0000000 0.0000000 0.2803285), wk = 0.0029851 k( 290) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 291) = ( 0.0000000 0.5000000 0.0127422), wk = 0.0029851 k( 292) = ( 0.0000000 0.5000000 0.0254844), wk = 0.0029851 k( 293) = ( 0.0000000 0.5000000 0.0382266), wk = 0.0029851 k( 294) = ( 0.0000000 0.5000000 0.0509688), wk = 0.0029851 k( 295) = ( 0.0000000 0.5000000 0.0637110), wk = 0.0029851 k( 296) = ( 0.0000000 0.5000000 0.0764532), wk = 0.0029851 k( 297) = ( 0.0000000 0.5000000 0.0891954), wk = 0.0029851 k( 298) = ( 0.0000000 0.5000000 0.1019376), wk = 0.0029851 k( 299) = ( 0.0000000 0.5000000 0.1146799), wk = 0.0029851 k( 300) = ( 0.0000000 0.5000000 0.1274221), wk = 0.0029851 k( 301) = ( 0.0000000 0.5000000 0.1401643), wk = 0.0029851 k( 302) = ( 0.0000000 0.5000000 0.1529065), wk = 0.0029851 k( 303) = ( 0.0000000 0.5000000 0.1656487), wk = 0.0029851 k( 304) = ( 0.0000000 0.5000000 0.1783909), wk = 0.0029851 k( 305) = ( 0.0000000 0.5000000 0.1911331), wk = 0.0029851 k( 306) = ( 0.0000000 0.5000000 0.2038753), wk = 0.0029851 k( 307) = ( 0.0000000 0.5000000 0.2166175), wk = 0.0029851 k( 308) = ( 0.0000000 0.5000000 0.2293597), wk = 0.0029851 k( 309) = ( 0.0000000 0.5000000 0.2421019), wk = 0.0029851 k( 310) = ( 0.0000000 0.5000000 0.2548441), wk = 0.0029851 k( 311) = ( 0.0000000 0.5000000 0.2675863), wk = 0.0029851 k( 312) = ( 0.0000000 0.5000000 0.2803285), wk = 0.0029851 k( 313) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029851 k( 314) = ( 0.5000000 0.5000000 0.0127422), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 0.0254844), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 0.0382266), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 0.0509688), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 0.0637110), wk = 0.0029851 k( 319) = ( 0.5000000 0.5000000 0.0764532), wk = 0.0029851 k( 320) = ( 0.5000000 0.5000000 0.0891954), wk = 0.0029851 k( 321) = ( 0.5000000 0.5000000 0.1019376), wk = 0.0029851 k( 322) = ( 0.5000000 0.5000000 0.1146799), wk = 0.0029851 k( 323) = ( 0.5000000 0.5000000 0.1274221), wk = 0.0029851 k( 324) = ( 0.5000000 0.5000000 0.1401643), wk = 0.0029851 k( 325) = ( 0.5000000 0.5000000 0.1529065), wk = 0.0029851 k( 326) = ( 0.5000000 0.5000000 0.1656487), wk = 0.0029851 k( 327) = ( 0.5000000 0.5000000 0.1783909), wk = 0.0029851 k( 328) = ( 0.5000000 0.5000000 0.1911331), wk = 0.0029851 k( 329) = ( 0.5000000 0.5000000 0.2038753), wk = 0.0029851 k( 330) = ( 0.5000000 0.5000000 0.2166175), wk = 0.0029851 k( 331) = ( 0.5000000 0.5000000 0.2293597), wk = 0.0029851 k( 332) = ( 0.5000000 0.5000000 0.2421019), wk = 0.0029851 k( 333) = ( 0.5000000 0.5000000 0.2548441), wk = 0.0029851 k( 334) = ( 0.5000000 0.5000000 0.2675863), wk = 0.0029851 k( 335) = ( 0.5000000 0.5000000 0.2803285), 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 0.0454545), 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 0.2045454), 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 0.2954545), 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 0.2045454), 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: 85709 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 64377 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 460, 40) NL pseudopotentials 0.44 Mb ( 230, 124) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2380) G-vector shells 0.01 Mb ( 1144) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 460, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.15 Mb ( 124, 2, 40) The potential is recalculated from file : ./NaAlGe.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 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.0 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.9 secs Computing kpt #: 30 total cpu time spent up to now is 15.4 secs Computing kpt #: 31 total cpu time spent up to now is 15.8 secs Computing kpt #: 32 total cpu time spent up to now is 16.3 secs Computing kpt #: 33 total cpu time spent up to now is 16.7 secs Computing kpt #: 34 total cpu time spent up to now is 17.2 secs Computing kpt #: 35 total cpu time spent up to now is 17.6 secs Computing kpt #: 36 total cpu time spent up to now is 18.1 secs Computing kpt #: 37 total cpu time spent up to now is 18.6 secs Computing kpt #: 38 total cpu time spent up to now is 19.1 secs Computing kpt #: 39 total cpu time spent up to now is 19.6 secs Computing kpt #: 40 total cpu time spent up to now is 20.0 secs Computing kpt #: 41 total cpu time spent up to now is 20.5 secs Computing kpt #: 42 total cpu time spent up to now is 21.0 secs Computing kpt #: 43 total cpu time spent up to now is 21.5 secs Computing kpt #: 44 total cpu time spent up to now is 21.9 secs Computing kpt #: 45 total cpu time spent up to now is 22.4 secs Computing kpt #: 46 total cpu time spent up to now is 22.8 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.2 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.1 secs Computing kpt #: 53 total cpu time spent up to now is 26.6 secs Computing kpt #: 54 total cpu time spent up to now is 27.1 secs Computing kpt #: 55 total cpu time spent up to now is 27.5 secs Computing kpt #: 56 total cpu time spent up to now is 27.9 secs Computing kpt #: 57 total cpu time spent up to now is 28.4 secs Computing kpt #: 58 total cpu time spent up to now is 28.8 secs Computing kpt #: 59 total cpu time spent up to now is 29.2 secs Computing kpt #: 60 total cpu time spent up to now is 29.6 secs Computing kpt #: 61 total cpu time spent up to now is 30.0 secs Computing kpt #: 62 total cpu time spent up to now is 30.4 secs Computing kpt #: 63 total cpu time spent up to now is 30.8 secs Computing kpt #: 64 total cpu time spent up to now is 31.2 secs Computing kpt #: 65 total cpu time spent up to now is 31.6 secs Computing kpt #: 66 total cpu time spent up to now is 32.0 secs Computing kpt #: 67 total cpu time spent up to now is 32.4 secs Computing kpt #: 68 total cpu time spent up to now is 32.8 secs Computing kpt #: 69 total cpu time spent up to now is 33.2 secs Computing kpt #: 70 total cpu time spent up to now is 33.5 secs Computing kpt #: 71 total cpu time spent up to now is 33.9 secs Computing kpt #: 72 total cpu time spent up to now is 34.3 secs Computing kpt #: 73 total cpu time spent up to now is 34.7 secs Computing kpt #: 74 total cpu time spent up to now is 35.1 secs Computing kpt #: 75 total cpu time spent up to now is 35.4 secs Computing kpt #: 76 total cpu time spent up to now is 35.8 secs Computing kpt #: 77 total cpu time spent up to now is 36.2 secs Computing kpt #: 78 total cpu time spent up to now is 36.6 secs Computing kpt #: 79 total cpu time spent up to now is 37.0 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.7 secs Computing kpt #: 82 total cpu time spent up to now is 38.1 secs Computing kpt #: 83 total cpu time spent up to now is 38.4 secs Computing kpt #: 84 total cpu time spent up to now is 38.8 secs Computing kpt #: 85 total cpu time spent up to now is 39.2 secs Computing kpt #: 86 total cpu time spent up to now is 39.6 secs Computing kpt #: 87 total cpu time spent up to now is 39.9 secs Computing kpt #: 88 total cpu time spent up to now is 40.3 secs Computing kpt #: 89 total cpu time spent up to now is 40.7 secs Computing kpt #: 90 total cpu time spent up to now is 41.1 secs Computing kpt #: 91 total cpu time spent up to now is 41.5 secs Computing kpt #: 92 total cpu time spent up to now is 41.9 secs Computing kpt #: 93 total cpu time spent up to now is 42.3 secs Computing kpt #: 94 total cpu time spent up to now is 42.7 secs Computing kpt #: 95 total cpu time spent up to now is 43.1 secs Computing kpt #: 96 total cpu time spent up to now is 43.5 secs Computing kpt #: 97 total cpu time spent up to now is 43.9 secs Computing kpt #: 98 total cpu time spent up to now is 44.3 secs Computing kpt #: 99 total cpu time spent up to now is 44.8 secs Computing kpt #: 100 total cpu time spent up to now is 45.2 secs Computing kpt #: 101 total cpu time spent up to now is 45.7 secs Computing kpt #: 102 total cpu time spent up to now is 46.1 secs Computing kpt #: 103 total cpu time spent up to now is 46.6 secs Computing kpt #: 104 total cpu time spent up to now is 47.0 secs Computing kpt #: 105 total cpu time spent up to now is 47.6 secs Computing kpt #: 106 total cpu time spent up to now is 48.1 secs Computing kpt #: 107 total cpu time spent up to now is 48.6 secs Computing kpt #: 108 total cpu time spent up to now is 49.2 secs Computing kpt #: 109 total cpu time spent up to now is 49.8 secs Computing kpt #: 110 total cpu time spent up to now is 50.3 secs Computing kpt #: 111 total cpu time spent up to now is 50.8 secs Computing kpt #: 112 total cpu time spent up to now is 51.2 secs Computing kpt #: 113 total cpu time spent up to now is 51.7 secs Computing kpt #: 114 total cpu time spent up to now is 52.2 secs Computing kpt #: 115 total cpu time spent up to now is 52.6 secs Computing kpt #: 116 total cpu time spent up to now is 53.1 secs Computing kpt #: 117 total cpu time spent up to now is 53.5 secs Computing kpt #: 118 total cpu time spent up to now is 54.0 secs Computing kpt #: 119 total cpu time spent up to now is 54.5 secs Computing kpt #: 120 total cpu time spent up to now is 54.9 secs Computing kpt #: 121 total cpu time spent up to now is 55.4 secs Computing kpt #: 122 total cpu time spent up to now is 56.0 secs Computing kpt #: 123 total cpu time spent up to now is 56.5 secs Computing kpt #: 124 total cpu time spent up to now is 57.0 secs Computing kpt #: 125 total cpu time spent up to now is 57.5 secs Computing kpt #: 126 total cpu time spent up to now is 57.9 secs Computing kpt #: 127 total cpu time spent up to now is 58.3 secs Computing kpt #: 128 total cpu time spent up to now is 58.7 secs Computing kpt #: 129 total cpu time spent up to now is 59.1 secs Computing kpt #: 130 total cpu time spent up to now is 59.5 secs Computing kpt #: 131 total cpu time spent up to now is 59.9 secs Computing kpt #: 132 total cpu time spent up to now is 60.2 secs Computing kpt #: 133 total cpu time spent up to now is 60.6 secs Computing kpt #: 134 total cpu time spent up to now is 61.0 secs Computing kpt #: 135 total cpu time spent up to now is 61.4 secs Computing kpt #: 136 total cpu time spent up to now is 61.7 secs Computing kpt #: 137 total cpu time spent up to now is 62.1 secs Computing kpt #: 138 total cpu time spent up to now is 62.5 secs Computing kpt #: 139 total cpu time spent up to now is 62.9 secs Computing kpt #: 140 total cpu time spent up to now is 63.3 secs Computing kpt #: 141 total cpu time spent up to now is 63.6 secs Computing kpt #: 142 total cpu time spent up to now is 64.0 secs Computing kpt #: 143 total cpu time spent up to now is 64.4 secs Computing kpt #: 144 total cpu time spent up to now is 64.8 secs Computing kpt #: 145 total cpu time spent up to now is 65.2 secs Computing kpt #: 146 total cpu time spent up to now is 65.6 secs Computing kpt #: 147 total cpu time spent up to now is 66.0 secs Computing kpt #: 148 total cpu time spent up to now is 66.4 secs Computing kpt #: 149 total cpu time spent up to now is 66.8 secs Computing kpt #: 150 total cpu time spent up to now is 67.2 secs Computing kpt #: 151 total cpu time spent up to now is 67.6 secs Computing kpt #: 152 total cpu time spent up to now is 68.0 secs Computing kpt #: 153 total cpu time spent up to now is 68.4 secs Computing kpt #: 154 total cpu time spent up to now is 68.8 secs Computing kpt #: 155 total cpu time spent up to now is 69.2 secs Computing kpt #: 156 total cpu time spent up to now is 69.6 secs Computing kpt #: 157 total cpu time spent up to now is 70.0 secs Computing kpt #: 158 total cpu time spent up to now is 70.5 secs Computing kpt #: 159 total cpu time spent up to now is 70.9 secs Computing kpt #: 160 total cpu time spent up to now is 71.3 secs Computing kpt #: 161 total cpu time spent up to now is 71.7 secs Computing kpt #: 162 total cpu time spent up to now is 72.1 secs Computing kpt #: 163 total cpu time spent up to now is 72.6 secs Computing kpt #: 164 total cpu time spent up to now is 73.0 secs Computing kpt #: 165 total cpu time spent up to now is 73.6 secs Computing kpt #: 166 total cpu time spent up to now is 74.0 secs Computing kpt #: 167 total cpu time spent up to now is 74.5 secs Computing kpt #: 168 total cpu time spent up to now is 74.9 secs Computing kpt #: 169 total cpu time spent up to now is 75.3 secs Computing kpt #: 170 total cpu time spent up to now is 75.7 secs Computing kpt #: 171 total cpu time spent up to now is 76.1 secs Computing kpt #: 172 total cpu time spent up to now is 76.6 secs Computing kpt #: 173 total cpu time spent up to now is 77.0 secs Computing kpt #: 174 total cpu time spent up to now is 77.4 secs Computing kpt #: 175 total cpu time spent up to now is 77.9 secs Computing kpt #: 176 total cpu time spent up to now is 78.5 secs Computing kpt #: 177 total cpu time spent up to now is 78.9 secs Computing kpt #: 178 total cpu time spent up to now is 79.4 secs Computing kpt #: 179 total cpu time spent up to now is 79.8 secs Computing kpt #: 180 total cpu time spent up to now is 80.3 secs Computing kpt #: 181 total cpu time spent up to now is 80.7 secs Computing kpt #: 182 total cpu time spent up to now is 81.1 secs Computing kpt #: 183 total cpu time spent up to now is 81.5 secs Computing kpt #: 184 total cpu time spent up to now is 82.0 secs Computing kpt #: 185 total cpu time spent up to now is 82.4 secs Computing kpt #: 186 total cpu time spent up to now is 82.8 secs Computing kpt #: 187 total cpu time spent up to now is 83.2 secs Computing kpt #: 188 total cpu time spent up to now is 83.6 secs Computing kpt #: 189 total cpu time spent up to now is 84.0 secs Computing kpt #: 190 total cpu time spent up to now is 84.4 secs Computing kpt #: 191 total cpu time spent up to now is 84.9 secs Computing kpt #: 192 total cpu time spent up to now is 85.3 secs Computing kpt #: 193 total cpu time spent up to now is 85.7 secs Computing kpt #: 194 total cpu time spent up to now is 86.0 secs Computing kpt #: 195 total cpu time spent up to now is 86.4 secs Computing kpt #: 196 total cpu time spent up to now is 86.8 secs Computing kpt #: 197 total cpu time spent up to now is 87.2 secs Computing kpt #: 198 total cpu time spent up to now is 87.6 secs Computing kpt #: 199 total cpu time spent up to now is 88.0 secs Computing kpt #: 200 total cpu time spent up to now is 88.4 secs Computing kpt #: 201 total cpu time spent up to now is 88.9 secs Computing kpt #: 202 total cpu time spent up to now is 89.3 secs Computing kpt #: 203 total cpu time spent up to now is 89.8 secs Computing kpt #: 204 total cpu time spent up to now is 90.2 secs Computing kpt #: 205 total cpu time spent up to now is 90.7 secs Computing kpt #: 206 total cpu time spent up to now is 91.2 secs Computing kpt #: 207 total cpu time spent up to now is 91.6 secs Computing kpt #: 208 total cpu time spent up to now is 92.0 secs Computing kpt #: 209 total cpu time spent up to now is 92.5 secs Computing kpt #: 210 total cpu time spent up to now is 92.9 secs Computing kpt #: 211 total cpu time spent up to now is 93.3 secs Computing kpt #: 212 total cpu time spent up to now is 93.7 secs Computing kpt #: 213 total cpu time spent up to now is 94.1 secs Computing kpt #: 214 total cpu time spent up to now is 94.5 secs Computing kpt #: 215 total cpu time spent up to now is 94.9 secs Computing kpt #: 216 total cpu time spent up to now is 95.3 secs Computing kpt #: 217 total cpu time spent up to now is 95.7 secs Computing kpt #: 218 total cpu time spent up to now is 96.1 secs Computing kpt #: 219 total cpu time spent up to now is 96.5 secs Computing kpt #: 220 total cpu time spent up to now is 97.0 secs Computing kpt #: 221 total cpu time spent up to now is 97.4 secs Computing kpt #: 222 total cpu time spent up to now is 97.8 secs Computing kpt #: 223 total cpu time spent up to now is 98.2 secs Computing kpt #: 224 total cpu time spent up to now is 98.7 secs Computing kpt #: 225 total cpu time spent up to now is 99.1 secs Computing kpt #: 226 total cpu time spent up to now is 99.5 secs Computing kpt #: 227 total cpu time spent up to now is 100.0 secs Computing kpt #: 228 total cpu time spent up to now is 100.5 secs Computing kpt #: 229 total cpu time spent up to now is 100.9 secs Computing kpt #: 230 total cpu time spent up to now is 101.4 secs Computing kpt #: 231 total cpu time spent up to now is 101.8 secs Computing kpt #: 232 total cpu time spent up to now is 102.2 secs Computing kpt #: 233 total cpu time spent up to now is 102.6 secs Computing kpt #: 234 total cpu time spent up to now is 103.1 secs Computing kpt #: 235 total cpu time spent up to now is 103.5 secs Computing kpt #: 236 total cpu time spent up to now is 103.9 secs Computing kpt #: 237 total cpu time spent up to now is 104.3 secs Computing kpt #: 238 total cpu time spent up to now is 104.7 secs Computing kpt #: 239 total cpu time spent up to now is 105.1 secs Computing kpt #: 240 total cpu time spent up to now is 105.6 secs Computing kpt #: 241 total cpu time spent up to now is 106.0 secs Computing kpt #: 242 total cpu time spent up to now is 107.1 secs Computing kpt #: 243 total cpu time spent up to now is 107.5 secs Computing kpt #: 244 total cpu time spent up to now is 108.0 secs Computing kpt #: 245 total cpu time spent up to now is 108.4 secs Computing kpt #: 246 total cpu time spent up to now is 108.8 secs Computing kpt #: 247 total cpu time spent up to now is 109.3 secs Computing kpt #: 248 total cpu time spent up to now is 109.7 secs Computing kpt #: 249 total cpu time spent up to now is 110.1 secs Computing kpt #: 250 total cpu time spent up to now is 110.5 secs Computing kpt #: 251 total cpu time spent up to now is 110.9 secs Computing kpt #: 252 total cpu time spent up to now is 111.4 secs Computing kpt #: 253 total cpu time spent up to now is 111.8 secs Computing kpt #: 254 total cpu time spent up to now is 112.2 secs Computing kpt #: 255 total cpu time spent up to now is 112.6 secs Computing kpt #: 256 total cpu time spent up to now is 113.1 secs Computing kpt #: 257 total cpu time spent up to now is 113.5 secs Computing kpt #: 258 total cpu time spent up to now is 113.9 secs Computing kpt #: 259 total cpu time spent up to now is 114.4 secs Computing kpt #: 260 total cpu time spent up to now is 114.9 secs Computing kpt #: 261 total cpu time spent up to now is 115.3 secs Computing kpt #: 262 total cpu time spent up to now is 115.8 secs Computing kpt #: 263 total cpu time spent up to now is 116.4 secs Computing kpt #: 264 total cpu time spent up to now is 116.9 secs Computing kpt #: 265 total cpu time spent up to now is 117.5 secs Computing kpt #: 266 total cpu time spent up to now is 118.0 secs Computing kpt #: 267 total cpu time spent up to now is 118.5 secs Computing kpt #: 268 total cpu time spent up to now is 119.0 secs Computing kpt #: 269 total cpu time spent up to now is 119.4 secs Computing kpt #: 270 total cpu time spent up to now is 119.9 secs Computing kpt #: 271 total cpu time spent up to now is 120.3 secs Computing kpt #: 272 total cpu time spent up to now is 120.8 secs Computing kpt #: 273 total cpu time spent up to now is 121.2 secs Computing kpt #: 274 total cpu time spent up to now is 121.8 secs Computing kpt #: 275 total cpu time spent up to now is 122.4 secs Computing kpt #: 276 total cpu time spent up to now is 123.0 secs Computing kpt #: 277 total cpu time spent up to now is 123.4 secs Computing kpt #: 278 total cpu time spent up to now is 123.9 secs Computing kpt #: 279 total cpu time spent up to now is 124.4 secs Computing kpt #: 280 total cpu time spent up to now is 124.9 secs Computing kpt #: 281 total cpu time spent up to now is 125.4 secs Computing kpt #: 282 total cpu time spent up to now is 125.8 secs Computing kpt #: 283 total cpu time spent up to now is 126.3 secs Computing kpt #: 284 total cpu time spent up to now is 126.7 secs Computing kpt #: 285 total cpu time spent up to now is 127.1 secs Computing kpt #: 286 total cpu time spent up to now is 127.5 secs Computing kpt #: 287 total cpu time spent up to now is 127.9 secs Computing kpt #: 288 total cpu time spent up to now is 128.3 secs Computing kpt #: 289 total cpu time spent up to now is 128.7 secs Computing kpt #: 290 total cpu time spent up to now is 129.2 secs Computing kpt #: 291 total cpu time spent up to now is 129.7 secs Computing kpt #: 292 total cpu time spent up to now is 130.1 secs Computing kpt #: 293 total cpu time spent up to now is 130.6 secs Computing kpt #: 294 total cpu time spent up to now is 131.0 secs Computing kpt #: 295 total cpu time spent up to now is 131.4 secs Computing kpt #: 296 total cpu time spent up to now is 131.9 secs Computing kpt #: 297 total cpu time spent up to now is 132.3 secs Computing kpt #: 298 total cpu time spent up to now is 132.7 secs Computing kpt #: 299 total cpu time spent up to now is 133.1 secs Computing kpt #: 300 total cpu time spent up to now is 133.5 secs Computing kpt #: 301 total cpu time spent up to now is 133.9 secs Computing kpt #: 302 total cpu time spent up to now is 134.3 secs Computing kpt #: 303 total cpu time spent up to now is 134.7 secs Computing kpt #: 304 total cpu time spent up to now is 135.1 secs Computing kpt #: 305 total cpu time spent up to now is 135.5 secs Computing kpt #: 306 total cpu time spent up to now is 135.9 secs Computing kpt #: 307 total cpu time spent up to now is 136.3 secs Computing kpt #: 308 total cpu time spent up to now is 136.7 secs Computing kpt #: 309 total cpu time spent up to now is 137.1 secs Computing kpt #: 310 total cpu time spent up to now is 137.5 secs Computing kpt #: 311 total cpu time spent up to now is 137.9 secs Computing kpt #: 312 total cpu time spent up to now is 138.3 secs Computing kpt #: 313 total cpu time spent up to now is 138.7 secs Computing kpt #: 314 total cpu time spent up to now is 139.0 secs Computing kpt #: 315 total cpu time spent up to now is 139.4 secs Computing kpt #: 316 total cpu time spent up to now is 139.8 secs Computing kpt #: 317 total cpu time spent up to now is 140.2 secs Computing kpt #: 318 total cpu time spent up to now is 140.5 secs Computing kpt #: 319 total cpu time spent up to now is 140.9 secs Computing kpt #: 320 total cpu time spent up to now is 141.3 secs Computing kpt #: 321 total cpu time spent up to now is 141.7 secs Computing kpt #: 322 total cpu time spent up to now is 142.1 secs Computing kpt #: 323 total cpu time spent up to now is 142.5 secs Computing kpt #: 324 total cpu time spent up to now is 142.9 secs Computing kpt #: 325 total cpu time spent up to now is 143.3 secs Computing kpt #: 326 total cpu time spent up to now is 143.7 secs Computing kpt #: 327 total cpu time spent up to now is 144.1 secs Computing kpt #: 328 total cpu time spent up to now is 144.5 secs Computing kpt #: 329 total cpu time spent up to now is 144.9 secs Computing kpt #: 330 total cpu time spent up to now is 145.3 secs Computing kpt #: 331 total cpu time spent up to now is 145.8 secs Computing kpt #: 332 total cpu time spent up to now is 146.2 secs Computing kpt #: 333 total cpu time spent up to now is 146.6 secs Computing kpt #: 334 total cpu time spent up to now is 147.1 secs Computing kpt #: 335 total cpu time spent up to now is 147.5 secs ethr = 3.13E-08, avg # of iterations = 15.0 total cpu time spent up to now is 147.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4758 -19.4758 -19.3253 -19.3253 -19.3157 -19.3157 -19.2980 -19.2980 -19.2965 -19.2965 -5.5447 -5.5447 -3.3545 -3.3545 0.4088 0.4088 2.8749 2.8749 2.9265 2.9265 4.4950 4.4950 4.8752 4.8752 5.4402 5.4402 5.5733 5.5733 5.8023 5.8023 6.2746 6.2746 7.9748 7.9748 k = 0.0000 0.0132-0.0000 ( 8031 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.5434 -5.5434 -3.3540 -3.3540 0.4098 0.4098 2.8642 2.8642 2.9193 2.9193 4.5008 4.5008 4.8884 4.8884 5.4267 5.4267 5.5601 5.5601 5.8061 5.8061 6.2943 6.2943 7.9838 7.9838 k = 0.0000 0.0263-0.0000 ( 8043 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4759 -19.4759 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5395 -5.5395 -3.3524 -3.3524 0.4129 0.4129 2.8194 2.8194 2.9129 2.9129 4.5152 4.5152 4.9277 4.9277 5.3771 5.3771 5.5372 5.5372 5.8182 5.8182 6.3457 6.3457 8.0106 8.0106 k = 0.0000 0.0395-0.0000 ( 8037 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4759 -19.4759 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5330 -5.5330 -3.3498 -3.3498 0.4179 0.4179 2.7389 2.7389 2.9151 2.9151 4.5326 4.5326 4.9905 4.9905 5.2873 5.2873 5.5239 5.5239 5.8408 5.8408 6.4141 6.4141 8.0544 8.0544 k = 0.0000 0.0526-0.0000 ( 8047 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4760 -19.4760 -19.3254 -19.3254 -19.3157 -19.3157 -19.2981 -19.2981 -19.2966 -19.2966 -5.5240 -5.5240 -3.3462 -3.3462 0.4249 0.4249 2.6338 2.6338 2.9221 2.9221 4.5485 4.5485 5.0693 5.0693 5.1719 5.1719 5.5186 5.5186 5.8772 5.8772 6.4880 6.4880 8.1135 8.1135 k = 0.0000 0.0658-0.0000 ( 8053 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4762 -19.4762 -19.3254 -19.3254 -19.3158 -19.3158 -19.2981 -19.2981 -19.2967 -19.2967 -5.5124 -5.5124 -3.3418 -3.3418 0.4338 0.4338 2.5124 2.5124 2.9324 2.9324 4.5613 4.5613 5.0358 5.0358 5.1614 5.1614 5.5171 5.5171 5.9322 5.9322 6.5612 6.5612 8.1858 8.1858 k = 0.0000 0.0789-0.0000 ( 8059 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4988 -19.4988 -19.4763 -19.4763 -19.3254 -19.3254 -19.3158 -19.3158 -19.2982 -19.2982 -19.2967 -19.2967 -5.4982 -5.4982 -3.3364 -3.3364 0.4446 0.4446 2.3802 2.3802 2.9453 2.9453 4.5703 4.5703 4.8978 4.8978 5.2441 5.2441 5.5173 5.5173 6.0113 6.0113 6.6307 6.6307 8.2680 8.2680 k = 0.0000 0.0921-0.0000 ( 8063 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4765 -19.4765 -19.3254 -19.3254 -19.3158 -19.3158 -19.2983 -19.2983 -19.2967 -19.2967 -5.4815 -5.4815 -3.3303 -3.3303 0.4572 0.4572 2.2413 2.2413 2.9609 2.9609 4.5732 4.5732 4.7578 4.7578 5.3157 5.3157 5.5184 5.5184 6.1183 6.1183 6.6954 6.6954 8.3564 8.3564 k = 0.0000 0.1053-0.0000 ( 8069 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4986 -19.4986 -19.4767 -19.4767 -19.3254 -19.3254 -19.3158 -19.3158 -19.2985 -19.2985 -19.2968 -19.2968 -5.4623 -5.4623 -3.3235 -3.3235 0.4715 0.4715 2.0987 2.0987 2.9789 2.9789 4.5476 4.5476 4.6415 4.6415 5.3720 5.3720 5.5199 5.5199 6.2535 6.2535 6.7555 6.7555 8.4471 8.4471 k = 0.0000 0.1184-0.0000 ( 8063 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4985 -19.4985 -19.4770 -19.4770 -19.3254 -19.3254 -19.3158 -19.3158 -19.2986 -19.2986 -19.2968 -19.2968 -5.4405 -5.4405 -3.3162 -3.3162 0.4874 0.4874 1.9544 1.9544 2.9993 2.9993 4.4332 4.4332 4.6109 4.6109 5.4139 5.4139 5.5214 5.5214 6.4132 6.4132 6.8116 6.8116 8.5065 8.5065 k = 0.0000 0.1316-0.0000 ( 8071 PWs) bands (ev): -47.4394 -47.4394 -47.4355 -47.4355 -19.4985 -19.4985 -19.4772 -19.4772 -19.3254 -19.3254 -19.3158 -19.3158 -19.2987 -19.2987 -19.2968 -19.2968 -5.4162 -5.4162 -3.3085 -3.3085 0.5047 0.5047 1.8102 1.8102 3.0222 3.0222 4.2900 4.2900 4.6069 4.6069 5.4446 5.4446 5.5230 5.5230 6.5927 6.5927 6.8646 6.8646 8.4125 8.4125 k = 0.0000 0.1447-0.0000 ( 8067 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4983 -19.4983 -19.4775 -19.4775 -19.3253 -19.3253 -19.3159 -19.3159 -19.2989 -19.2989 -19.2968 -19.2968 -5.3894 -5.3894 -3.3006 -3.3006 0.5233 0.5233 1.6670 1.6670 3.0474 3.0474 4.1441 4.1441 4.6041 4.6041 5.4671 5.4671 5.5246 5.5246 6.7875 6.7875 6.9152 6.9152 8.3229 8.3229 k = 0.0000 0.1579-0.0000 ( 8059 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4982 -19.4982 -19.4778 -19.4778 -19.3253 -19.3253 -19.3159 -19.3159 -19.2990 -19.2990 -19.2969 -19.2969 -5.3602 -5.3602 -3.2927 -3.2927 0.5430 0.5430 1.5261 1.5261 3.0750 3.0750 3.9991 3.9991 4.5990 4.5990 5.4830 5.4830 5.5271 5.5271 6.9634 6.9634 6.9946 6.9946 8.2393 8.2393 k = 0.0000 0.1711-0.0000 ( 8051 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4981 -19.4981 -19.4781 -19.4781 -19.3252 -19.3252 -19.3159 -19.3159 -19.2991 -19.2991 -19.2969 -19.2969 -5.3285 -5.3285 -3.2849 -3.2849 0.5635 0.5635 1.3881 1.3881 3.1049 3.1049 3.8563 3.8563 4.5902 4.5902 5.4923 5.4923 5.5326 5.5326 7.0117 7.0117 7.2098 7.2098 8.1629 8.1629 k = 0.0000 0.1842-0.0000 ( 8055 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4979 -19.4979 -19.4785 -19.4785 -19.3251 -19.3251 -19.3159 -19.3159 -19.2993 -19.2993 -19.2970 -19.2970 -5.2944 -5.2944 -3.2776 -3.2776 0.5846 0.5846 1.2538 1.2538 3.1371 3.1371 3.7168 3.7168 4.5768 4.5768 5.4944 5.4944 5.5430 5.5430 7.0589 7.0589 7.4320 7.4320 8.0953 8.0953 k = 0.0000 0.1974-0.0000 ( 8043 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4977 -19.4977 -19.4789 -19.4789 -19.3251 -19.3251 -19.3160 -19.3160 -19.2994 -19.2994 -19.2970 -19.2970 -5.2580 -5.2580 -3.2710 -3.2710 0.6058 0.6058 1.1238 1.1238 3.1716 3.1716 3.5812 3.5812 4.5580 4.5580 5.4908 5.4908 5.5579 5.5579 7.1059 7.1059 7.6574 7.6574 8.0394 8.0394 k = 0.0000 0.2105-0.0000 ( 8039 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4975 -19.4975 -19.4793 -19.4793 -19.3250 -19.3250 -19.3160 -19.3160 -19.2996 -19.2996 -19.2971 -19.2971 -5.2192 -5.2192 -3.2654 -3.2654 0.6268 0.6268 0.9987 0.9987 3.2081 3.2081 3.4504 3.4504 4.5331 4.5331 5.4832 5.4832 5.5764 5.5764 7.1529 7.1529 7.8636 7.8636 8.0172 8.0172 k = 0.0000 0.2237-0.0000 ( 8049 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4973 -19.4973 -19.4797 -19.4797 -19.3249 -19.3249 -19.3161 -19.3161 -19.2998 -19.2998 -19.2971 -19.2971 -5.1781 -5.1781 -3.2611 -3.2611 0.6470 0.6470 0.8791 0.8791 3.2458 3.2458 3.3260 3.3260 4.5016 4.5016 5.4722 5.4722 5.5984 5.5984 7.1998 7.1998 7.9098 7.9098 8.1687 8.1687 k = 0.0000 0.2368-0.0000 ( 8049 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4971 -19.4971 -19.4802 -19.4802 -19.3248 -19.3248 -19.3162 -19.3162 -19.2999 -19.2999 -19.2972 -19.2972 -5.1347 -5.1347 -3.2585 -3.2585 0.6651 0.6651 0.7664 0.7664 3.2024 3.2024 3.2910 3.2910 4.4633 4.4633 5.4581 5.4581 5.6242 5.6242 7.2468 7.2468 7.8859 7.8859 8.4039 8.4039 k = 0.0000 0.2500-0.0000 ( 8041 PWs) bands (ev): -47.4389 -47.4389 -47.4359 -47.4359 -19.4969 -19.4969 -19.4806 -19.4806 -19.3247 -19.3247 -19.3162 -19.3162 -19.3001 -19.3001 -19.2973 -19.2973 -5.0891 -5.0891 -3.2579 -3.2579 0.6502 0.6502 0.6911 0.6911 3.0909 3.0909 3.3332 3.3332 4.4180 4.4180 5.4406 5.4406 5.6538 5.6538 7.2935 7.2935 7.8638 7.8638 8.6498 8.6498 k = 0.0000 0.2632-0.0000 ( 8046 PWs) bands (ev): -47.4388 -47.4388 -47.4359 -47.4359 -19.4967 -19.4967 -19.4811 -19.4811 -19.3246 -19.3246 -19.3164 -19.3164 -19.3002 -19.3002 -19.2974 -19.2974 -5.0414 -5.0414 -3.2597 -3.2597 0.5543 0.5543 0.7012 0.7012 2.9862 2.9862 3.3785 3.3785 4.3660 4.3660 5.4198 5.4198 5.6875 5.6875 7.3397 7.3397 7.8490 7.8490 8.7704 8.7704 k = 0.0000 0.2763-0.0000 ( 8052 PWs) bands (ev): -47.4388 -47.4388 -47.4360 -47.4360 -19.4965 -19.4965 -19.4816 -19.4816 -19.3245 -19.3245 -19.3165 -19.3165 -19.3003 -19.3003 -19.2975 -19.2975 -4.9915 -4.9915 -3.2643 -3.2643 0.4615 0.4615 0.7121 0.7121 2.8902 2.8902 3.4260 3.4260 4.3076 4.3076 5.3954 5.3954 5.7254 5.7254 7.3848 7.3848 7.8422 7.8422 8.7263 8.7263 k = 0.0000 0.2895-0.0000 ( 8040 PWs) bands (ev): -47.4387 -47.4387 -47.4360 -47.4360 -19.4962 -19.4962 -19.4820 -19.4820 -19.3244 -19.3244 -19.3166 -19.3166 -19.3004 -19.3004 -19.2976 -19.2976 -4.9397 -4.9397 -3.2720 -3.2720 0.3761 0.3761 0.7191 0.7191 2.8039 2.8039 3.4756 3.4756 4.2434 4.2434 5.3674 5.3674 5.7674 5.7674 7.4279 7.4279 7.8435 7.8435 8.6767 8.6767 k = 0.0000 0.3026-0.0000 ( 8024 PWs) bands (ev): -47.4386 -47.4386 -47.4361 -47.4361 -19.4959 -19.4959 -19.4825 -19.4825 -19.3242 -19.3242 -19.3168 -19.3168 -19.3004 -19.3004 -19.2976 -19.2976 -4.8858 -4.8858 -3.2832 -3.2832 0.2988 0.2988 0.7211 0.7211 2.7283 2.7283 3.5272 3.5272 4.1741 4.1741 5.3355 5.3355 5.8135 5.8135 7.4678 7.4678 7.8525 7.8525 8.6247 8.6247 k = 0.0000 0.3158-0.0000 ( 8022 PWs) bands (ev): -47.4385 -47.4385 -47.4362 -47.4362 -19.4956 -19.4956 -19.4830 -19.4830 -19.3240 -19.3240 -19.3170 -19.3170 -19.3005 -19.3005 -19.2977 -19.2977 -4.8301 -4.8301 -3.2983 -3.2983 0.2299 0.2299 0.7172 0.7172 2.6644 2.6644 3.5806 3.5806 4.1002 4.1002 5.2997 5.2997 5.8635 5.8635 7.5027 7.5027 7.8690 7.8690 8.5731 8.5731 k = 0.0000 0.3289-0.0000 ( 8020 PWs) bands (ev): -47.4384 -47.4384 -47.4362 -47.4362 -19.4953 -19.4953 -19.4835 -19.4835 -19.3239 -19.3239 -19.3172 -19.3172 -19.3005 -19.3005 -19.2978 -19.2978 -4.7726 -4.7726 -3.3174 -3.3174 0.1698 0.1698 0.7067 0.7067 2.6128 2.6128 3.6359 3.6359 4.0227 4.0227 5.2601 5.2601 5.9172 5.9172 7.5304 7.5304 7.8924 7.8924 8.5255 8.5255 k = 0.0000 0.3421-0.0000 ( 8028 PWs) bands (ev): -47.4384 -47.4384 -47.4363 -47.4363 -19.4950 -19.4950 -19.4840 -19.4840 -19.3237 -19.3237 -19.3174 -19.3174 -19.3005 -19.3005 -19.2980 -19.2980 -4.7135 -4.7135 -3.3409 -3.3409 0.1187 0.1187 0.6893 0.6893 2.5742 2.5742 3.6926 3.6926 3.9423 3.9423 5.2166 5.2166 5.9745 5.9745 7.5480 7.5480 7.9222 7.9222 8.4855 8.4855 k = 0.0000 0.3553-0.0000 ( 8032 PWs) bands (ev): -47.4383 -47.4383 -47.4364 -47.4364 -19.4947 -19.4947 -19.4846 -19.4846 -19.3235 -19.3235 -19.3176 -19.3176 -19.3006 -19.3006 -19.2981 -19.2981 -4.6527 -4.6527 -3.3688 -3.3688 0.0768 0.0768 0.6649 0.6649 2.5488 2.5488 3.7497 3.7497 3.8609 3.8609 5.1695 5.1695 6.0352 6.0352 7.5526 7.5526 7.9582 7.9582 8.4571 8.4571 k = 0.0000 0.3684-0.0000 ( 8032 PWs) bands (ev): -47.4382 -47.4382 -47.4365 -47.4365 -19.4943 -19.4943 -19.4851 -19.4851 -19.3233 -19.3233 -19.3179 -19.3179 -19.3006 -19.3006 -19.2982 -19.2982 -4.5906 -4.5906 -3.4011 -3.4011 0.0440 0.0440 0.6337 0.6337 2.5362 2.5362 3.7648 3.7648 3.8212 3.8212 5.1188 5.1188 6.0990 6.0990 7.5419 7.5419 7.9997 7.9997 8.4430 8.4430 k = 0.0000 0.3816-0.0000 ( 8036 PWs) bands (ev): -47.4381 -47.4381 -47.4365 -47.4365 -19.4940 -19.4940 -19.4857 -19.4857 -19.3231 -19.3231 -19.3181 -19.3181 -19.3006 -19.3006 -19.2984 -19.2984 -4.5271 -4.5271 -3.4380 -3.4380 0.0203 0.0203 0.5963 0.5963 2.5361 2.5361 3.6841 3.6841 3.8778 3.8778 5.0648 5.0648 6.1659 6.1659 7.5148 7.5148 8.0465 8.0465 8.4444 8.4444 k = 0.0000 0.3947-0.0000 ( 8028 PWs) bands (ev): -47.4380 -47.4380 -47.4366 -47.4366 -19.4936 -19.4936 -19.4862 -19.4862 -19.3229 -19.3229 -19.3184 -19.3184 -19.3005 -19.3005 -19.2985 -19.2985 -4.4625 -4.4625 -3.4791 -3.4791 0.0055 0.0055 0.5538 0.5538 2.5476 2.5476 3.5980 3.5980 3.9405 3.9405 5.0079 5.0079 6.2356 6.2356 7.4726 7.4726 8.0979 8.0979 8.4605 8.4605 k = 0.0000 0.4079-0.0000 ( 8034 PWs) bands (ev): -47.4379 -47.4379 -47.4367 -47.4367 -19.4932 -19.4932 -19.4867 -19.4867 -19.3226 -19.3226 -19.3187 -19.3187 -19.3004 -19.3004 -19.2987 -19.2987 -4.3969 -4.3969 -3.5244 -3.5244 -0.0006 -0.0006 0.5070 0.5070 2.5698 2.5698 3.5113 3.5113 4.0051 4.0051 4.9482 4.9482 6.3079 6.3079 7.4175 7.4175 8.1536 8.1536 8.4884 8.4884 k = 0.0000 0.4211-0.0000 ( 8034 PWs) bands (ev): -47.4379 -47.4379 -47.4368 -47.4368 -19.4928 -19.4928 -19.4872 -19.4872 -19.3224 -19.3224 -19.3190 -19.3190 -19.3004 -19.3004 -19.2988 -19.2988 -4.3305 -4.3305 -3.5736 -3.5736 0.0015 0.0015 0.4573 0.4573 2.6016 2.6016 3.4249 3.4249 4.0710 4.0710 4.8862 4.8862 6.3827 6.3827 7.3523 7.3523 8.2129 8.2129 8.5243 8.5243 k = 0.0000 0.4342-0.0000 ( 8042 PWs) bands (ev): -47.4378 -47.4378 -47.4369 -47.4369 -19.4924 -19.4924 -19.4878 -19.4878 -19.3221 -19.3221 -19.3193 -19.3193 -19.3003 -19.3003 -19.2990 -19.2990 -4.2635 -4.2635 -3.6263 -3.6263 0.0115 0.0115 0.4058 0.4058 2.6420 2.6420 3.3393 3.3393 4.1380 4.1380 4.8221 4.8221 6.4597 6.4597 7.2798 7.2798 8.2752 8.2752 8.5636 8.5636 k = 0.0000 0.4474-0.0000 ( 8044 PWs) bands (ev): -47.4377 -47.4377 -47.4370 -47.4370 -19.4920 -19.4920 -19.4883 -19.4883 -19.3219 -19.3219 -19.3196 -19.3196 -19.3002 -19.3002 -19.2991 -19.2991 -4.1963 -4.1963 -3.6821 -3.6821 0.0288 0.0288 0.3537 0.3537 2.6901 2.6901 3.2551 3.2551 4.2059 4.2059 4.7564 4.7564 6.5387 6.5387 7.2022 7.2022 8.3397 8.3397 8.6004 8.6004 k = 0.0000 0.4605-0.0000 ( 8048 PWs) bands (ev): -47.4376 -47.4376 -47.4371 -47.4371 -19.4916 -19.4916 -19.4888 -19.4888 -19.3216 -19.3216 -19.3199 -19.3199 -19.3001 -19.3001 -19.2993 -19.2993 -4.1289 -4.1289 -3.7407 -3.7407 0.0529 0.0529 0.3020 0.3020 2.7448 2.7448 3.1727 3.1727 4.2746 4.2746 4.6892 4.6892 6.6195 6.6195 7.1212 7.1212 8.4050 8.4050 8.6272 8.6272 k = 0.0000 0.4737-0.0000 ( 8042 PWs) bands (ev): -47.4375 -47.4375 -47.4371 -47.4371 -19.4911 -19.4911 -19.4893 -19.4893 -19.3213 -19.3213 -19.3202 -19.3202 -19.3000 -19.3000 -19.2994 -19.2994 -4.0618 -4.0618 -3.8018 -3.8018 0.0831 0.0831 0.2518 0.2518 2.8054 2.8054 3.0926 3.0926 4.3437 4.3437 4.6210 4.6210 6.7017 6.7017 7.0381 7.0381 8.4694 8.4694 8.6353 8.6353 k = 0.0000 0.4868-0.0000 ( 8042 PWs) bands (ev): -47.4374 -47.4374 -47.4372 -47.4372 -19.4907 -19.4907 -19.4897 -19.4897 -19.3210 -19.3210 -19.3204 -19.3204 -19.2998 -19.2998 -19.2996 -19.2996 -3.9951 -3.9951 -3.8648 -3.8648 0.1188 0.1188 0.2040 0.2040 2.8711 2.8711 3.0153 3.0153 4.4132 4.4132 4.5521 4.5521 6.7852 6.7852 6.9539 6.9539 8.5300 8.5300 8.6197 8.6197 k = 0.0000 0.5000-0.0000 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9293 -3.9293 -3.9293 -3.9293 0.1594 0.1594 0.1594 0.1594 2.9413 2.9413 2.9413 2.9413 4.4827 4.4827 4.4828 4.4828 6.8694 6.8694 6.8694 6.8694 8.5823 8.5823 8.5823 8.5823 k = 0.0000 0.5000-0.0000 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9293 -3.9293 -3.9293 -3.9293 0.1594 0.1594 0.1594 0.1594 2.9413 2.9413 2.9413 2.9413 4.4827 4.4827 4.4828 4.4828 6.8694 6.8694 6.8694 6.8694 8.5823 8.5823 8.5823 8.5823 k = 0.0132 0.5000-0.0000 ( 8050 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4903 -19.4903 -19.4902 -19.4902 -19.3212 -19.3212 -19.3203 -19.3203 -19.3001 -19.3001 -19.2994 -19.2994 -3.9283 -3.9283 -3.9282 -3.9282 0.1598 0.1598 0.1600 0.1600 2.9416 2.9416 2.9423 2.9423 4.4665 4.4665 4.4689 4.4689 6.8851 6.8851 6.8903 6.8903 8.5443 8.5443 8.5660 8.5660 k = 0.0263 0.5000-0.0000 ( 8054 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4903 -19.4903 -19.4902 -19.4902 -19.3216 -19.3216 -19.3199 -19.3199 -19.3005 -19.3005 -19.2990 -19.2990 -3.9250 -3.9250 -3.9247 -3.9247 0.1612 0.1612 0.1616 0.1616 2.9431 2.9431 2.9446 2.9446 4.4217 4.4217 4.4262 4.4262 6.9361 6.9361 6.9462 6.9462 8.4672 8.4672 8.4973 8.4973 k = 0.0395 0.5000-0.0000 ( 8050 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4904 -19.4904 -19.4901 -19.4901 -19.3220 -19.3220 -19.3195 -19.3195 -19.3009 -19.3009 -19.2987 -19.2987 -3.9194 -3.9194 -3.9191 -3.9191 0.1636 0.1636 0.1643 0.1643 2.9458 2.9458 2.9481 2.9481 4.3523 4.3523 4.3583 4.3583 7.0182 7.0182 7.0332 7.0332 8.3664 8.3664 8.3951 8.3951 k = 0.0526 0.5000-0.0000 ( 8038 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4904 -19.4904 -19.4901 -19.4901 -19.3223 -19.3223 -19.3190 -19.3190 -19.3013 -19.3013 -19.2983 -19.2983 -3.9117 -3.9117 -3.9112 -3.9112 0.1670 0.1670 0.1679 0.1679 2.9494 2.9494 2.9529 2.9529 4.2632 4.2632 4.2701 4.2701 7.1256 7.1256 7.1456 7.1456 8.2530 8.2530 8.2764 8.2764 k = 0.0658 0.5000-0.0000 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4905 -19.4905 -19.4901 -19.4901 -19.3227 -19.3227 -19.3186 -19.3186 -19.3018 -19.3018 -19.2980 -19.2980 -3.9017 -3.9017 -3.9012 -3.9012 0.1712 0.1712 0.1723 0.1723 2.9539 2.9539 2.9586 2.9586 4.1597 4.1597 4.1667 4.1667 7.2507 7.2507 7.2766 7.2766 8.1352 8.1352 8.1516 8.1516 k = 0.0789 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4905 -19.4905 -19.4901 -19.4901 -19.3231 -19.3231 -19.3182 -19.3182 -19.3023 -19.3023 -19.2978 -19.2978 -3.8896 -3.8896 -3.8889 -3.8889 0.1761 0.1761 0.1775 0.1775 2.9589 2.9589 2.9653 2.9653 4.0462 4.0462 4.0527 4.0527 7.3827 7.3827 7.4164 7.4164 8.0233 8.0233 8.0306 8.0306 k = 0.0921 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4906 -19.4906 -19.4901 -19.4901 -19.3234 -19.3234 -19.3177 -19.3177 -19.3027 -19.3027 -19.2975 -19.2975 -3.8753 -3.8753 -3.8745 -3.8745 0.1817 0.1817 0.1833 0.1833 2.9640 2.9640 2.9725 2.9725 3.9269 3.9269 3.9319 3.9319 7.4954 7.4954 7.5406 7.5406 7.9367 7.9367 7.9417 7.9417 k = 0.1053 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4907 -19.4907 -19.4901 -19.4901 -19.3238 -19.3238 -19.3173 -19.3173 -19.3032 -19.3032 -19.2973 -19.2973 -3.8588 -3.8588 -3.8579 -3.8579 0.1876 0.1876 0.1895 0.1895 2.9683 2.9683 2.9798 2.9798 3.8052 3.8052 3.8078 3.8078 7.5273 7.5273 7.5749 7.5749 7.9425 7.9425 7.9500 7.9500 k = 0.1184 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4908 -19.4908 -19.4902 -19.4902 -19.3241 -19.3241 -19.3169 -19.3169 -19.3036 -19.3036 -19.2970 -19.2970 -3.8403 -3.8403 -3.8393 -3.8393 0.1937 0.1937 0.1959 0.1959 2.9709 2.9709 2.9865 2.9865 3.6832 3.6832 3.6845 3.6845 7.4590 7.4590 7.4948 7.4948 8.0646 8.0646 8.0701 8.0701 k = 0.1316 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4909 -19.4909 -19.4902 -19.4902 -19.3244 -19.3244 -19.3165 -19.3165 -19.3041 -19.3041 -19.2969 -19.2969 -3.8197 -3.8197 -3.8186 -3.8186 0.1999 0.1999 0.2024 0.2024 2.9696 2.9696 2.9912 2.9912 3.5611 3.5611 3.5683 3.5683 7.3482 7.3482 7.3750 7.3750 8.2213 8.2213 8.2396 8.2396 k = 0.1447 0.5000-0.0000 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4909 -19.4909 -19.4902 -19.4902 -19.3246 -19.3246 -19.3161 -19.3161 -19.3045 -19.3045 -19.2967 -19.2967 -3.7971 -3.7971 -3.7959 -3.7959 0.2057 0.2057 0.2085 0.2085 2.9614 2.9614 2.9917 2.9917 3.4455 3.4455 3.4614 3.4614 7.2244 7.2244 7.2454 7.2454 8.3677 8.3677 8.3992 8.3992 k = 0.1579 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4910 -19.4910 -19.4903 -19.4903 -19.3249 -19.3249 -19.3158 -19.3158 -19.3049 -19.3049 -19.2966 -19.2966 -3.7725 -3.7725 -3.7712 -3.7712 0.2108 0.2108 0.2140 0.2140 2.9409 2.9409 2.9829 2.9829 3.3422 3.3422 3.3698 3.3698 7.0971 7.0971 7.1138 7.1138 8.4339 8.4339 8.4622 8.4622 k = 0.1711 0.5000-0.0000 ( 8058 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4912 -19.4912 -19.4903 -19.4903 -19.3252 -19.3252 -19.3155 -19.3155 -19.3053 -19.3053 -19.2965 -19.2965 -3.7460 -3.7460 -3.7446 -3.7446 0.2149 0.2149 0.2185 0.2185 2.9022 2.9022 2.9563 2.9563 3.2607 3.2607 3.3007 3.3007 6.9699 6.9699 6.9830 6.9830 8.4103 8.4103 8.4278 8.4278 k = 0.1842 0.5000-0.0000 ( 8038 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4912 -19.4912 -19.4904 -19.4904 -19.3254 -19.3254 -19.3152 -19.3152 -19.3057 -19.3057 -19.2964 -19.2964 -3.7177 -3.7177 -3.7163 -3.7163 0.2176 0.2176 0.2215 0.2215 2.8430 2.8430 2.9039 2.9039 3.2099 3.2099 3.2569 3.2569 6.8446 6.8446 6.8547 6.8547 8.3505 8.3505 8.3637 8.3637 k = 0.1974 0.5000-0.0000 ( 8030 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4913 -19.4913 -19.4904 -19.4904 -19.3255 -19.3255 -19.3150 -19.3150 -19.3059 -19.3059 -19.2963 -19.2963 -3.6877 -3.6877 -3.6862 -3.6862 0.2183 0.2183 0.2226 0.2226 2.7683 2.7683 2.8293 2.8293 3.1867 3.1867 3.2342 3.2342 6.7224 6.7224 6.7297 6.7297 8.2755 8.2755 8.2872 8.2872 k = 0.2105 0.5000-0.0000 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4914 -19.4914 -19.4905 -19.4905 -19.3257 -19.3257 -19.3148 -19.3148 -19.3062 -19.3062 -19.2962 -19.2962 -3.6560 -3.6560 -3.6544 -3.6544 0.2166 0.2166 0.2213 0.2213 2.6862 2.6862 2.7445 2.7445 3.1799 3.1799 3.2251 3.2251 6.6042 6.6042 6.6090 6.6090 8.1913 8.1913 8.2028 8.2028 k = 0.2237 0.5000-0.0000 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4915 -19.4915 -19.4906 -19.4906 -19.3259 -19.3259 -19.3148 -19.3148 -19.3064 -19.3064 -19.2962 -19.2962 -3.6228 -3.6228 -3.6211 -3.6211 0.2119 0.2119 0.2170 0.2170 2.6031 2.6031 2.6585 2.6585 3.1807 3.1807 3.2236 3.2236 6.4908 6.4908 6.4931 6.4931 8.1007 8.1007 8.1125 8.1125 k = 0.2368 0.5000-0.0000 ( 8036 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4916 -19.4916 -19.4906 -19.4906 -19.3260 -19.3260 -19.3148 -19.3148 -19.3065 -19.3065 -19.2962 -19.2962 -3.5881 -3.5881 -3.5864 -3.5864 0.2038 0.2038 0.2092 0.2092 2.5234 2.5234 2.5764 2.5764 3.1847 3.1847 3.2258 3.2258 6.3829 6.3829 6.3829 6.3829 8.0051 8.0051 8.0173 8.0173 k = 0.2500 0.5000-0.0000 ( 8042 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4917 -19.4917 -19.4907 -19.4907 -19.3261 -19.3261 -19.3149 -19.3149 -19.3065 -19.3065 -19.2963 -19.2963 -3.5522 -3.5522 -3.5504 -3.5504 0.1918 0.1918 0.1974 0.1974 2.4497 2.4497 2.5007 2.5007 3.1893 3.1893 3.2292 3.2292 6.2790 6.2790 6.2812 6.2812 7.9055 7.9055 7.9182 7.9182 k = 0.2632 0.5000-0.0000 ( 8054 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4918 -19.4918 -19.4908 -19.4908 -19.3262 -19.3262 -19.3151 -19.3151 -19.3065 -19.3065 -19.2963 -19.2963 -3.5151 -3.5151 -3.5133 -3.5133 0.1754 0.1754 0.1812 0.1812 2.3838 2.3838 2.4333 2.4333 3.1930 3.1930 3.2324 3.2324 6.1821 6.1821 6.1864 6.1864 7.8028 7.8028 7.8161 7.8161 k = 0.2763 0.5000-0.0000 ( 8060 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4919 -19.4919 -19.4909 -19.4909 -19.3262 -19.3262 -19.3153 -19.3153 -19.3064 -19.3064 -19.2964 -19.2964 -3.4771 -3.4771 -3.4752 -3.4752 0.1544 0.1544 0.1603 0.1603 2.3269 2.3269 2.3752 2.3752 3.1948 3.1948 3.2340 3.2340 6.0929 6.0929 6.0993 6.0993 7.6979 7.6979 7.7117 7.7117 k = 0.2895 0.5000-0.0000 ( 8060 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4919 -19.4919 -19.4910 -19.4910 -19.3262 -19.3262 -19.3156 -19.3156 -19.3062 -19.3062 -19.2965 -19.2965 -3.4382 -3.4382 -3.4364 -3.4364 0.1287 0.1287 0.1346 0.1346 2.2798 2.2798 2.3270 2.3270 3.1938 3.1938 3.2330 3.2330 6.0120 6.0120 6.0204 6.0204 7.5913 7.5913 7.6056 7.6056 k = 0.3026 0.5000-0.0000 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4920 -19.4920 -19.4911 -19.4911 -19.3262 -19.3262 -19.3160 -19.3160 -19.3060 -19.3060 -19.2966 -19.2966 -3.3989 -3.3989 -3.3970 -3.3970 0.0985 0.0985 0.1042 0.1042 2.2427 2.2427 2.2891 2.2891 3.1892 3.1892 3.2288 3.2288 5.9401 5.9401 5.9505 5.9505 7.4838 7.4838 7.4985 7.4985 k = 0.3158 0.5000-0.0000 ( 8068 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4921 -19.4921 -19.4912 -19.4912 -19.3262 -19.3262 -19.3164 -19.3164 -19.3057 -19.3057 -19.2968 -19.2968 -3.3592 -3.3592 -3.3573 -3.3573 0.0640 0.0640 0.0695 0.0695 2.2159 2.2159 2.2614 2.2614 3.1805 3.1805 3.2205 3.2205 5.8778 5.8778 5.8901 5.8901 7.3758 7.3758 7.3910 7.3910 k = 0.3289 0.5000-0.0000 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4921 -19.4921 -19.4913 -19.4913 -19.3261 -19.3261 -19.3168 -19.3168 -19.3054 -19.3054 -19.2969 -19.2969 -3.3195 -3.3195 -3.3177 -3.3177 0.0258 0.0258 0.0310 0.0310 2.1991 2.1991 2.2438 2.2438 3.1672 3.1672 3.2076 3.2076 5.8256 5.8256 5.8396 5.8396 7.2679 7.2679 7.2836 7.2836 k = 0.3421 0.5000-0.0000 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4922 -19.4922 -19.4914 -19.4914 -19.3260 -19.3260 -19.3173 -19.3173 -19.3051 -19.3051 -19.2971 -19.2971 -3.2801 -3.2801 -3.2783 -3.2783 -0.0153 -0.0153 -0.0106 -0.0106 2.1920 2.1920 2.2359 2.2359 3.1489 3.1489 3.1898 3.1898 5.7840 5.7840 5.7995 5.7995 7.1605 7.1605 7.1766 7.1766 k = 0.3553 0.5000-0.0000 ( 8062 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4922 -19.4922 -19.4915 -19.4915 -19.3259 -19.3259 -19.3178 -19.3178 -19.3047 -19.3047 -19.2973 -19.2973 -3.2414 -3.2414 -3.2396 -3.2396 -0.0586 -0.0586 -0.0543 -0.0543 2.1938 2.1938 2.2371 2.2371 3.1255 3.1255 3.1668 3.1668 5.7531 5.7531 5.7700 5.7700 7.0541 7.0541 7.0706 7.0706 k = 0.3684 0.5000-0.0000 ( 8076 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4916 -19.4916 -19.3257 -19.3257 -19.3183 -19.3183 -19.3044 -19.3044 -19.2976 -19.2976 -3.2037 -3.2037 -3.2020 -3.2020 -0.1030 -0.1030 -0.0992 -0.0992 2.2041 2.2041 2.2468 2.2468 3.0969 3.0969 3.1386 3.1386 5.7331 5.7331 5.7511 5.7511 6.9491 6.9491 6.9659 6.9659 k = 0.3816 0.5000-0.0000 ( 8088 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4917 -19.4917 -19.3256 -19.3256 -19.3188 -19.3188 -19.3040 -19.3040 -19.2978 -19.2978 -3.1674 -3.1674 -3.1658 -3.1658 -0.1474 -0.1474 -0.1441 -0.1441 2.2219 2.2219 2.2640 2.2640 3.0633 3.0633 3.1052 3.1052 5.7238 5.7238 5.7427 5.7427 6.8458 6.8458 6.8630 6.8630 k = 0.3947 0.5000-0.0000 ( 8088 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4918 -19.4918 -19.3254 -19.3254 -19.3193 -19.3193 -19.3036 -19.3036 -19.2981 -19.2981 -3.1330 -3.1330 -3.1315 -3.1315 -0.1908 -0.1908 -0.1880 -0.1880 2.2466 2.2466 2.2882 2.2882 3.0250 3.0250 3.0670 3.0670 5.7251 5.7251 5.7447 5.7447 6.7446 6.7446 6.7621 6.7621 k = 0.4079 0.5000-0.0000 ( 8084 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4919 -19.4919 -19.3251 -19.3251 -19.3197 -19.3197 -19.3032 -19.3032 -19.2983 -19.2983 -3.1010 -3.1010 -3.0996 -3.0996 -0.2322 -0.2322 -0.2298 -0.2298 2.2774 2.2774 2.3186 2.3186 2.9825 2.9825 3.0245 3.0245 5.7364 5.7364 5.7565 5.7565 6.6458 6.6458 6.6637 6.6637 k = 0.4211 0.5000-0.0000 ( 8084 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4920 -19.4920 -19.3249 -19.3249 -19.3202 -19.3202 -19.3028 -19.3028 -19.2986 -19.2986 -3.0719 -3.0719 -3.0707 -3.0707 -0.2704 -0.2704 -0.2685 -0.2685 2.3134 2.3134 2.3542 2.3542 2.9363 2.9363 2.9781 2.9781 5.7573 5.7573 5.7778 5.7778 6.5498 6.5498 6.5681 6.5681 k = 0.4342 0.5000-0.0000 ( 8112 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4925 -19.4925 -19.4921 -19.4921 -19.3247 -19.3247 -19.3208 -19.3208 -19.3025 -19.3025 -19.2990 -19.2990 -3.0461 -3.0461 -3.0451 -3.0451 -0.3046 -0.3046 -0.3031 -0.3031 2.3540 2.3540 2.3945 2.3945 2.8871 2.8871 2.9287 2.9287 5.7873 5.7873 5.8080 5.8080 6.4569 6.4569 6.4755 6.4755 k = 0.4474 0.5000-0.0000 ( 8112 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4925 -19.4925 -19.4922 -19.4922 -19.3244 -19.3244 -19.3212 -19.3212 -19.3021 -19.3021 -19.2993 -19.2993 -3.0242 -3.0242 -3.0234 -3.0234 -0.3339 -0.3339 -0.3327 -0.3327 2.3984 2.3984 2.4384 2.4384 2.8358 2.8358 2.8769 2.8769 5.8257 5.8257 5.8464 5.8464 6.3676 6.3676 6.3865 6.3865 k = 0.4605 0.5000-0.0000 ( 8104 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4925 -19.4925 -19.4922 -19.4922 -19.3240 -19.3240 -19.3217 -19.3217 -19.3017 -19.3017 -19.2996 -19.2996 -3.0067 -3.0067 -3.0060 -3.0060 -0.3575 -0.3575 -0.3566 -0.3566 2.4457 2.4457 2.4851 2.4851 2.7834 2.7834 2.8237 2.8237 5.8719 5.8719 5.8925 5.8925 6.2821 6.2821 6.3013 6.3013 k = 0.4737 0.5000-0.0000 ( 8108 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4923 -19.4923 -19.3237 -19.3237 -19.3221 -19.3221 -19.3013 -19.3013 -19.2999 -19.2999 -2.9938 -2.9938 -2.9933 -2.9933 -0.3748 -0.3748 -0.3742 -0.3742 2.4948 2.4948 2.5326 2.5326 2.7319 2.7319 2.7703 2.7703 5.9251 5.9251 5.9457 5.9457 6.2009 6.2009 6.2204 6.2204 k = 0.4868 0.5000-0.0000 ( 8104 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4923 -19.4923 -19.3233 -19.3233 -19.3225 -19.3225 -19.3010 -19.3010 -19.3002 -19.3002 -2.9858 -2.9858 -2.9856 -2.9856 -0.3853 -0.3853 -0.3850 -0.3850 2.5433 2.5433 2.5746 2.5746 2.6874 2.6874 2.7191 2.7191 5.9848 5.9848 6.0048 6.0048 6.1248 6.1248 6.1444 6.1444 k = 0.5000 0.5000-0.0000 ( 8100 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9831 -2.9831 -2.9831 -2.9831 -0.3888 -0.3888 -0.3888 -0.3888 2.5816 2.5816 2.5816 2.5816 2.6797 2.6797 2.6797 2.6797 6.0460 6.0460 6.0460 6.0460 6.0779 6.0779 6.0779 6.0779 k = 0.5000 0.5000-0.0000 ( 8100 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9831 -2.9831 -2.9831 -2.9831 -0.3888 -0.3888 -0.3888 -0.3888 2.5816 2.5816 2.5816 2.5816 2.6797 2.6797 2.6797 2.6797 6.0460 6.0460 6.0460 6.0460 6.0779 6.0779 6.0779 6.0779 k = 0.4907 0.4907-0.0000 ( 8102 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4923 -19.4923 -19.3233 -19.3233 -19.3225 -19.3225 -19.3010 -19.3010 -19.3002 -19.3002 -2.9883 -2.9883 -2.9831 -2.9831 -0.3873 -0.3873 -0.3831 -0.3831 2.5353 2.5353 2.5899 2.5899 2.6724 2.6724 2.7268 2.7268 5.9654 5.9654 6.0586 6.0586 6.0709 6.0709 6.1639 6.1639 k = 0.4815 0.4815-0.0000 ( 8104 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4923 -19.4923 -19.3237 -19.3237 -19.3221 -19.3221 -19.3013 -19.3013 -19.2999 -19.2999 -3.0036 -3.0036 -2.9832 -2.9832 -0.3831 -0.3831 -0.3662 -0.3662 2.4672 2.4672 2.5902 2.5902 2.6755 2.6755 2.7966 2.7966 5.8780 5.8780 6.0715 6.0715 6.0746 6.0746 6.2674 6.2674 k = 0.4722 0.4722-0.0000 ( 8108 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4925 -19.4925 -19.4922 -19.4922 -19.3240 -19.3240 -19.3217 -19.3217 -19.3017 -19.3017 -19.2996 -19.2996 -3.0287 -3.0287 -2.9833 -2.9833 -0.3760 -0.3760 -0.3387 -0.3387 2.3952 2.3952 2.5895 2.5895 2.6819 2.6819 2.8713 2.8713 5.7962 5.7962 6.0811 6.0811 6.0927 6.0927 6.3764 6.3764 k = 0.4630 0.4630-0.0000 ( 8106 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4925 -19.4925 -19.4921 -19.4921 -19.3243 -19.3243 -19.3212 -19.3212 -19.3021 -19.3021 -19.2993 -19.2993 -3.0627 -3.0627 -2.9835 -2.9835 -0.3660 -0.3660 -0.3012 -0.3012 2.3231 2.3231 2.5883 2.5883 2.6911 2.6911 2.9472 2.9472 5.7209 5.7209 6.0903 6.0903 6.1222 6.1222 6.4899 6.4899 k = 0.4537 0.4537-0.0000 ( 8122 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4926 -19.4926 -19.4920 -19.4920 -19.3247 -19.3247 -19.3208 -19.3208 -19.3025 -19.3025 -19.2990 -19.2990 -3.1050 -3.1050 -2.9838 -2.9838 -0.3532 -0.3532 -0.2548 -0.2548 2.2520 2.2520 2.5866 2.5866 2.7029 2.7029 3.0233 3.0233 5.6525 5.6525 6.1021 6.1021 6.1601 6.1601 6.6075 6.6075 k = 0.4444 0.4444-0.0000 ( 8090 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4926 -19.4926 -19.4918 -19.4918 -19.3249 -19.3249 -19.3202 -19.3202 -19.3028 -19.3028 -19.2986 -19.2986 -3.1544 -3.1544 -2.9843 -2.9843 -0.3376 -0.3376 -0.2006 -0.2006 2.1825 2.1825 2.5843 2.5843 2.7173 2.7173 3.0990 3.0990 5.5918 5.5918 6.1166 6.1166 6.2061 6.2061 6.7289 6.7289 k = 0.4352 0.4352-0.0000 ( 8094 PWs) bands (ev): -47.4373 -47.4373 -47.4371 -47.4371 -19.4927 -19.4927 -19.4917 -19.4917 -19.3252 -19.3252 -19.3198 -19.3198 -19.3032 -19.3032 -19.2983 -19.2983 -3.2099 -3.2099 -2.9849 -2.9849 -0.3191 -0.3191 -0.1398 -0.1398 2.1152 2.1152 2.5814 2.5814 2.7344 2.7344 3.1739 3.1739 5.5391 5.5391 6.1337 6.1337 6.2603 6.2603 6.8539 6.8539 k = 0.4259 0.4259-0.0000 ( 8086 PWs) bands (ev): -47.4373 -47.4373 -47.4371 -47.4371 -19.4928 -19.4928 -19.4915 -19.4915 -19.3254 -19.3254 -19.3192 -19.3192 -19.3036 -19.3036 -19.2981 -19.2981 -3.2707 -3.2707 -2.9857 -2.9857 -0.2978 -0.2978 -0.0735 -0.0735 2.0502 2.0502 2.5779 2.5779 2.7540 2.7540 3.2478 3.2478 5.4948 5.4948 6.1534 6.1534 6.3223 6.3223 6.9821 6.9821 k = 0.4167 0.4167-0.0000 ( 8074 PWs) bands (ev): -47.4374 -47.4374 -47.4371 -47.4371 -19.4929 -19.4929 -19.4912 -19.4912 -19.3256 -19.3256 -19.3187 -19.3187 -19.3040 -19.3040 -19.2978 -19.2978 -3.3358 -3.3358 -2.9867 -2.9867 -0.2737 -0.2737 -0.0030 -0.0030 1.9878 1.9878 2.5738 2.5738 2.7762 2.7762 3.3205 3.3205 5.4595 5.4595 6.1757 6.1757 6.3922 6.3922 7.1133 7.1133 k = 0.4074 0.4074-0.0000 ( 8068 PWs) bands (ev): -47.4374 -47.4374 -47.4371 -47.4371 -19.4929 -19.4929 -19.4909 -19.4909 -19.3258 -19.3258 -19.3182 -19.3182 -19.3043 -19.3043 -19.2975 -19.2975 -3.4044 -3.4044 -2.9880 -2.9880 -0.2467 -0.2467 0.0707 0.0707 1.9285 1.9285 2.5693 2.5693 2.8010 2.8010 3.3920 3.3920 5.4335 5.4335 6.2007 6.2007 6.4695 6.4695 7.2472 7.2472 k = 0.3981 0.3981-0.0000 ( 8070 PWs) bands (ev): -47.4374 -47.4374 -47.4370 -47.4370 -19.4931 -19.4931 -19.4907 -19.4907 -19.3260 -19.3260 -19.3177 -19.3177 -19.3047 -19.3047 -19.2973 -19.2973 -3.4758 -3.4758 -2.9896 -2.9896 -0.2169 -0.2169 0.1465 0.1465 1.8723 1.8723 2.5644 2.5644 2.8284 2.8284 3.4621 3.4621 5.4171 5.4171 6.2282 6.2282 6.5540 6.5540 7.3838 7.3838 k = 0.3889 0.3889-0.0000 ( 8070 PWs) bands (ev): -47.4375 -47.4375 -47.4370 -47.4370 -19.4932 -19.4932 -19.4904 -19.4904 -19.3261 -19.3261 -19.3172 -19.3172 -19.3051 -19.3051 -19.2971 -19.2971 -3.5492 -3.5492 -2.9917 -2.9917 -0.1844 -0.1844 0.2232 0.2232 1.8195 1.8195 2.5594 2.5594 2.8584 2.8584 3.5307 3.5307 5.4106 5.4106 6.2584 6.2584 6.6455 6.6455 7.5227 7.5227 k = 0.3796 0.3796-0.0000 ( 8074 PWs) bands (ev): -47.4375 -47.4375 -47.4370 -47.4370 -19.4933 -19.4933 -19.4901 -19.4901 -19.3263 -19.3263 -19.3167 -19.3167 -19.3055 -19.3055 -19.2969 -19.2969 -3.6242 -3.6242 -2.9941 -2.9941 -0.1490 -0.1490 0.2998 0.2998 1.7703 1.7703 2.5548 2.5548 2.8909 2.8909 3.5979 3.5979 5.4142 5.4142 6.2912 6.2912 6.7435 6.7435 7.6637 7.6637 k = 0.3704 0.3704-0.0000 ( 8074 PWs) bands (ev): -47.4376 -47.4376 -47.4369 -47.4369 -19.4935 -19.4935 -19.4898 -19.4898 -19.3264 -19.3264 -19.3162 -19.3162 -19.3058 -19.3058 -19.2967 -19.2967 -3.7002 -3.7002 -2.9971 -2.9971 -0.1108 -0.1108 0.3754 0.3754 1.7250 1.7250 2.5510 2.5510 2.9259 2.9259 3.6636 3.6636 5.4280 5.4280 6.3265 6.3265 6.8476 6.8476 7.8067 7.8067 k = 0.3611 0.3611-0.0000 ( 8082 PWs) bands (ev): -47.4376 -47.4376 -47.4369 -47.4369 -19.4936 -19.4936 -19.4895 -19.4895 -19.3265 -19.3265 -19.3157 -19.3157 -19.3062 -19.3062 -19.2966 -19.2966 -3.7768 -3.7768 -3.0005 -3.0005 -0.0698 -0.0698 0.4488 0.4488 1.6836 1.6836 2.5487 2.5487 2.9635 2.9635 3.7278 3.7278 5.4520 5.4520 6.3645 6.3645 6.9572 6.9572 7.9513 7.9513 k = 0.3519 0.3519-0.0000 ( 8078 PWs) bands (ev): -47.4377 -47.4377 -47.4368 -47.4368 -19.4938 -19.4938 -19.4891 -19.4891 -19.3265 -19.3265 -19.3152 -19.3152 -19.3064 -19.3064 -19.2965 -19.2965 -3.8536 -3.8536 -3.0046 -3.0046 -0.0261 -0.0261 0.5190 0.5190 1.6464 1.6464 2.5486 2.5486 3.0036 3.0036 3.7907 3.7907 5.4862 5.4862 6.4051 6.4051 7.0720 7.0720 8.0974 8.0974 k = 0.3426 0.3426-0.0000 ( 8074 PWs) bands (ev): -47.4377 -47.4377 -47.4368 -47.4368 -19.4939 -19.4939 -19.4887 -19.4887 -19.3266 -19.3266 -19.3148 -19.3148 -19.3067 -19.3067 -19.2963 -19.2963 -3.9303 -3.9303 -3.0093 -3.0093 0.0204 0.0204 0.5851 0.5851 1.6135 1.6135 2.5516 2.5516 3.0463 3.0463 3.8521 3.8521 5.5304 5.5304 6.4482 6.4482 7.1912 7.1912 8.2447 8.2447 k = 0.3333 0.3333-0.0000 ( 8068 PWs) bands (ev): -47.4378 -47.4378 -47.4367 -47.4367 -19.4941 -19.4941 -19.4883 -19.4883 -19.3266 -19.3266 -19.3143 -19.3143 -19.3069 -19.3069 -19.2962 -19.2962 -4.0066 -4.0066 -3.0146 -3.0146 0.0697 0.0697 0.6461 0.6461 1.5850 1.5850 2.5586 2.5586 3.0914 3.0914 3.9123 3.9123 5.5844 5.5844 6.4939 6.4939 7.3141 7.3141 8.3928 8.3928 k = 0.3241 0.3241-0.0000 ( 8062 PWs) bands (ev): -47.4379 -47.4379 -47.4367 -47.4367 -19.4943 -19.4943 -19.4879 -19.4879 -19.3266 -19.3266 -19.3140 -19.3140 -19.3071 -19.3071 -19.2960 -19.2960 -4.0824 -4.0824 -3.0206 -3.0206 0.1217 0.1217 0.7010 0.7010 1.5610 1.5610 2.5705 2.5705 3.1390 3.1390 3.9711 3.9711 5.6479 5.6479 6.5422 6.5422 7.4399 7.4399 8.5413 8.5413 k = 0.3148 0.3148-0.0000 ( 8054 PWs) bands (ev): -47.4379 -47.4379 -47.4366 -47.4366 -19.4944 -19.4944 -19.4874 -19.4874 -19.3266 -19.3266 -19.3137 -19.3137 -19.3071 -19.3071 -19.2959 -19.2959 -4.1572 -4.1572 -3.0272 -3.0272 0.1764 0.1764 0.7491 0.7491 1.5417 1.5417 2.5881 2.5881 3.1891 3.1891 4.0286 4.0286 5.7207 5.7207 6.5930 6.5930 7.5677 7.5677 8.6895 8.6895 k = 0.3056 0.3056-0.0000 ( 8056 PWs) bands (ev): -47.4380 -47.4380 -47.4366 -47.4366 -19.4946 -19.4946 -19.4870 -19.4870 -19.3266 -19.3266 -19.3134 -19.3134 -19.3072 -19.3072 -19.2959 -19.2959 -4.2310 -4.2310 -3.0346 -3.0346 0.2338 0.2338 0.7898 0.7898 1.5271 1.5271 2.6123 2.6123 3.2415 3.2415 4.0848 4.0848 5.8022 5.8022 6.6463 6.6463 7.6963 7.6963 8.8362 8.8362 k = 0.2963 0.2963-0.0000 ( 8052 PWs) bands (ev): -47.4380 -47.4380 -47.4365 -47.4365 -19.4948 -19.4948 -19.4865 -19.4865 -19.3266 -19.3266 -19.3133 -19.3133 -19.3071 -19.3071 -19.2958 -19.2958 -4.3037 -4.3037 -3.0427 -3.0427 0.2939 0.2939 0.8227 0.8227 1.5173 1.5173 2.6435 2.6435 3.2964 3.2964 4.1397 4.1397 5.8922 5.8922 6.7022 6.7022 7.8244 7.8244 8.9790 8.9790 k = 0.2870 0.2870-0.0000 ( 8050 PWs) bands (ev): -47.4381 -47.4381 -47.4365 -47.4365 -19.4950 -19.4950 -19.4861 -19.4861 -19.3265 -19.3265 -19.3132 -19.3132 -19.3069 -19.3069 -19.2958 -19.2958 -4.3750 -4.3750 -3.0515 -3.0515 0.3567 0.3567 0.8476 0.8476 1.5123 1.5123 2.6821 2.6821 3.3537 3.3537 4.1933 4.1933 5.9900 5.9900 6.7606 6.7606 7.9503 7.9503 9.1122 9.1122 k = 0.2778 0.2778-0.0000 ( 8038 PWs) bands (ev): -47.4382 -47.4382 -47.4364 -47.4364 -19.4952 -19.4952 -19.4856 -19.4856 -19.3265 -19.3265 -19.3132 -19.3132 -19.3067 -19.3067 -19.2957 -19.2957 -4.4448 -4.4448 -3.0610 -3.0610 0.4221 0.4221 0.8647 0.8647 1.5121 1.5121 2.7282 2.7282 3.4133 3.4133 4.2456 4.2456 6.0952 6.0952 6.8214 6.8214 8.0723 8.0723 9.2204 9.2204 k = 0.2685 0.2685-0.0000 ( 8030 PWs) bands (ev): -47.4382 -47.4382 -47.4364 -47.4364 -19.4953 -19.4953 -19.4851 -19.4851 -19.3264 -19.3264 -19.3132 -19.3132 -19.3064 -19.3064 -19.2957 -19.2957 -4.5130 -4.5130 -3.0711 -3.0711 0.4900 0.4900 0.8745 0.8745 1.5168 1.5168 2.7816 2.7816 3.4753 3.4753 4.2966 4.2966 6.2071 6.2071 6.8848 6.8848 8.1881 8.1881 9.2703 9.2703 k = 0.2593 0.2593-0.0000 ( 8026 PWs) bands (ev): -47.4383 -47.4383 -47.4363 -47.4363 -19.4955 -19.4955 -19.4846 -19.4846 -19.3263 -19.3263 -19.3133 -19.3133 -19.3060 -19.3060 -19.2956 -19.2956 -4.5795 -4.5795 -3.0819 -3.0819 0.5606 0.5606 0.8775 0.8775 1.5263 1.5263 2.8419 2.8419 3.5395 3.5395 4.3460 4.3460 6.3251 6.3251 6.9505 6.9505 8.2955 8.2955 9.2330 9.2330 k = 0.2500 0.2500-0.0000 ( 8022 PWs) bands (ev): -47.4384 -47.4384 -47.4362 -47.4362 -19.4957 -19.4957 -19.4841 -19.4841 -19.3263 -19.3263 -19.3135 -19.3135 -19.3056 -19.3056 -19.2956 -19.2956 -4.6443 -4.6443 -3.0932 -3.0932 0.6336 0.6336 0.8746 0.8746 1.5405 1.5405 2.9087 2.9087 3.6059 3.6059 4.3939 4.3939 6.4483 6.4483 7.0186 7.0186 8.3922 8.3922 9.0244 9.0244 k = 0.2407 0.2407-0.0000 ( 8021 PWs) bands (ev): -47.4384 -47.4384 -47.4362 -47.4362 -19.4959 -19.4959 -19.4837 -19.4837 -19.3262 -19.3262 -19.3136 -19.3136 -19.3052 -19.3052 -19.2956 -19.2956 -4.7072 -4.7072 -3.1051 -3.1051 0.7087 0.7087 0.8666 0.8666 1.5595 1.5595 2.9814 2.9814 3.6745 3.6745 4.4402 4.4402 6.5757 6.5757 7.0891 7.0891 8.4755 8.4755 8.8144 8.8144 k = 0.2315 0.2315-0.0000 ( 8023 PWs) bands (ev): -47.4385 -47.4385 -47.4361 -47.4361 -19.4961 -19.4961 -19.4832 -19.4832 -19.3261 -19.3261 -19.3138 -19.3138 -19.3048 -19.3048 -19.2956 -19.2956 -4.7682 -4.7682 -3.1174 -3.1174 0.7847 0.7847 0.8559 0.8559 1.5832 1.5832 3.0594 3.0594 3.7452 3.7452 4.4847 4.4847 6.7061 6.7061 7.1618 7.1618 8.5361 8.5361 8.6114 8.6114 k = 0.2222 0.2222-0.0000 ( 8023 PWs) bands (ev): -47.4386 -47.4386 -47.4361 -47.4361 -19.4963 -19.4963 -19.4827 -19.4827 -19.3260 -19.3260 -19.3140 -19.3140 -19.3043 -19.3043 -19.2957 -19.2957 -4.8271 -4.8271 -3.1301 -3.1301 0.8285 0.8285 0.8761 0.8761 1.6115 1.6115 3.1421 3.1421 3.8179 3.8179 4.5273 4.5273 6.8378 6.8378 7.2366 7.2366 8.3963 8.3963 8.5214 8.5214 k = 0.2130 0.2130-0.0000 ( 8017 PWs) bands (ev): -47.4386 -47.4386 -47.4360 -47.4360 -19.4965 -19.4965 -19.4822 -19.4822 -19.3259 -19.3259 -19.3142 -19.3142 -19.3038 -19.3038 -19.2957 -19.2957 -4.8840 -4.8840 -3.1432 -3.1432 0.8134 0.8134 0.9545 0.9545 1.6442 1.6442 3.2291 3.2291 3.8926 3.8926 4.5678 4.5678 6.9688 6.9688 7.3134 7.3134 8.1950 8.1950 8.3442 8.3442 k = 0.2037 0.2037-0.0000 ( 8029 PWs) bands (ev): -47.4387 -47.4387 -47.4360 -47.4360 -19.4967 -19.4967 -19.4818 -19.4818 -19.3259 -19.3259 -19.3144 -19.3144 -19.3034 -19.3034 -19.2958 -19.2958 -4.9388 -4.9388 -3.1565 -3.1565 0.7922 0.7922 1.0392 1.0392 1.6814 1.6814 3.3199 3.3199 3.9692 3.9692 4.6061 4.6061 7.0961 7.0961 7.3914 7.3914 7.9962 7.9962 8.1555 8.1555 k = 0.1944 0.1944-0.0000 ( 8033 PWs) bands (ev): -47.4388 -47.4388 -47.4359 -47.4359 -19.4969 -19.4969 -19.4813 -19.4813 -19.3258 -19.3258 -19.3146 -19.3146 -19.3029 -19.3029 -19.2958 -19.2958 -4.9914 -4.9914 -3.1699 -3.1699 0.7688 0.7688 1.1265 1.1265 1.7228 1.7228 3.4139 3.4139 4.0475 4.0475 4.6420 4.6420 7.2158 7.2158 7.4682 7.4682 7.8032 7.8032 7.9686 7.9686 k = 0.1852 0.1852-0.0000 ( 8037 PWs) bands (ev): -47.4388 -47.4388 -47.4359 -47.4359 -19.4971 -19.4971 -19.4808 -19.4808 -19.3258 -19.3258 -19.3147 -19.3147 -19.3025 -19.3025 -19.2959 -19.2959 -5.0418 -5.0418 -3.1835 -3.1835 0.7440 0.7440 1.2163 1.2163 1.7682 1.7682 3.5110 3.5110 4.1274 4.1274 4.6752 4.6752 7.3224 7.3224 7.5171 7.5171 7.6429 7.6429 7.7855 7.7855 k = 0.1759 0.1759-0.0000 ( 8049 PWs) bands (ev): -47.4389 -47.4389 -47.4358 -47.4358 -19.4973 -19.4973 -19.4804 -19.4804 -19.3257 -19.3257 -19.3149 -19.3149 -19.3021 -19.3021 -19.2959 -19.2959 -5.0900 -5.0900 -3.1970 -3.1970 0.7184 0.7184 1.3082 1.3082 1.8177 1.8177 3.6106 3.6106 4.2088 4.2088 4.7056 4.7056 7.3891 7.3891 7.4102 7.4102 7.6038 7.6038 7.6667 7.6667 k = 0.1667 0.1667-0.0000 ( 8049 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4974 -19.4974 -19.4800 -19.4800 -19.3257 -19.3257 -19.3151 -19.3151 -19.3017 -19.3017 -19.2960 -19.2960 -5.1359 -5.1359 -3.2104 -3.2104 0.6924 0.6924 1.4021 1.4021 1.8708 1.8708 3.7126 3.7126 4.2914 4.2914 4.7329 4.7329 7.2072 7.2072 7.4309 7.4309 7.4715 7.4715 7.7463 7.7463 k = 0.1574 0.1574-0.0000 ( 8045 PWs) bands (ev): -47.4390 -47.4390 -47.4357 -47.4357 -19.4976 -19.4976 -19.4796 -19.4796 -19.3256 -19.3256 -19.3152 -19.3152 -19.3013 -19.3013 -19.2961 -19.2961 -5.1794 -5.1794 -3.2237 -3.2237 0.6664 0.6664 1.4979 1.4979 1.9275 1.9275 3.8167 3.8167 4.3750 4.3750 4.7570 4.7570 7.0233 7.0233 7.2620 7.2620 7.5033 7.5033 7.8339 7.8339 k = 0.1481 0.1481-0.0000 ( 8043 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4977 -19.4977 -19.4792 -19.4792 -19.3255 -19.3255 -19.3153 -19.3153 -19.3009 -19.3009 -19.2961 -19.2961 -5.2206 -5.2206 -3.2367 -3.2367 0.6408 0.6408 1.5954 1.5954 1.9875 1.9875 3.9227 3.9227 4.4591 4.4591 4.7777 4.7777 6.8416 6.8416 7.0989 7.0989 7.5049 7.5049 7.9245 7.9245 k = 0.1389 0.1389-0.0000 ( 8045 PWs) bands (ev): -47.4391 -47.4391 -47.4356 -47.4356 -19.4978 -19.4978 -19.4788 -19.4788 -19.3255 -19.3255 -19.3154 -19.3154 -19.3005 -19.3005 -19.2962 -19.2962 -5.2595 -5.2595 -3.2494 -3.2494 0.6156 0.6156 1.6943 1.6943 2.0506 2.0506 4.0302 4.0302 4.5432 4.5432 4.7951 4.7951 6.6630 6.6630 6.9423 6.9423 7.4800 7.4800 8.0171 8.0171 k = 0.1296 0.1296-0.0000 ( 8049 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4980 -19.4980 -19.4784 -19.4784 -19.3255 -19.3255 -19.3155 -19.3155 -19.3002 -19.3002 -19.2963 -19.2963 -5.2959 -5.2959 -3.2616 -3.2616 0.5913 0.5913 1.7946 1.7946 2.1163 2.1163 4.1391 4.1391 4.6256 4.6256 4.8099 4.8099 6.4879 6.4879 6.7929 6.7929 7.4335 7.4335 8.1113 8.1113 k = 0.1204 0.1204-0.0000 ( 8057 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4981 -19.4981 -19.4781 -19.4781 -19.3255 -19.3255 -19.3156 -19.3156 -19.2998 -19.2998 -19.2964 -19.2964 -5.3299 -5.3299 -3.2733 -3.2733 0.5680 0.5680 1.8958 1.8958 2.1845 2.1845 4.2490 4.2490 4.7021 4.7021 4.8259 4.8259 6.3169 6.3169 6.6515 6.6515 7.3706 7.3706 8.2067 8.2067 k = 0.1111 0.1111-0.0000 ( 8059 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4983 -19.4983 -19.4778 -19.4778 -19.3255 -19.3255 -19.3156 -19.3156 -19.2995 -19.2995 -19.2964 -19.2964 -5.3615 -5.3615 -3.2845 -3.2845 0.5459 0.5459 1.9977 1.9977 2.2546 2.2546 4.3594 4.3594 4.7575 4.7575 4.8576 4.8576 6.1503 6.1503 6.5190 6.5190 7.2952 7.2952 8.3029 8.3029 k = 0.1019 0.1019-0.0000 ( 8055 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4984 -19.4984 -19.4774 -19.4774 -19.3255 -19.3255 -19.3157 -19.3157 -19.2992 -19.2992 -19.2964 -19.2964 -5.3906 -5.3906 -3.2950 -3.2950 0.5250 0.5250 2.0996 2.0996 2.3261 2.3261 4.4695 4.4695 4.7767 4.7767 4.9196 4.9196 5.9885 5.9885 6.3963 6.3963 7.2106 7.2106 8.3996 8.3996 k = 0.0926 0.0926-0.0000 ( 8053 PWs) bands (ev): -47.4394 -47.4394 -47.4355 -47.4355 -19.4985 -19.4985 -19.4772 -19.4772 -19.3255 -19.3255 -19.3157 -19.3157 -19.2990 -19.2990 -19.2965 -19.2965 -5.4172 -5.4172 -3.3048 -3.3048 0.5056 0.5056 2.2011 2.2011 2.3985 2.3985 4.5769 4.5769 4.7770 4.7770 4.9959 4.9959 5.8323 5.8323 6.2844 6.2844 7.1190 7.1190 8.4961 8.4961 k = 0.0833 0.0833-0.0000 ( 8057 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4986 -19.4986 -19.4769 -19.4769 -19.3255 -19.3255 -19.3158 -19.3158 -19.2988 -19.2988 -19.2965 -19.2965 -5.4413 -5.4413 -3.3139 -3.3139 0.4878 0.4878 2.3015 2.3015 2.4711 2.4711 4.6690 4.6690 4.7814 4.7814 5.0748 5.0748 5.6823 5.6823 6.1841 6.1841 7.0222 7.0222 8.5793 8.5793 k = 0.0741 0.0741-0.0000 ( 8049 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4986 -19.4986 -19.4767 -19.4767 -19.3254 -19.3254 -19.3157 -19.3157 -19.2986 -19.2986 -19.2966 -19.2966 -5.4630 -5.4630 -3.3222 -3.3222 0.4716 0.4716 2.3996 2.3996 2.5431 2.5431 4.6982 4.6982 4.8402 4.8402 5.1525 5.1525 5.5395 5.5395 6.0960 6.0960 6.9219 6.9219 8.4681 8.4681 k = 0.0648 0.0648-0.0000 ( 8055 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4765 -19.4765 -19.3254 -19.3254 -19.3158 -19.3158 -19.2984 -19.2984 -19.2966 -19.2966 -5.4821 -5.4821 -3.3296 -3.3296 0.4572 0.4572 2.4942 2.4942 2.6134 2.6134 4.6795 4.6795 4.9395 4.9395 5.2272 5.2272 5.4050 5.4050 6.0205 6.0205 6.8194 6.8194 8.3639 8.3639 k = 0.0556 0.0556-0.0000 ( 8059 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4988 -19.4988 -19.4763 -19.4763 -19.3254 -19.3254 -19.3158 -19.3158 -19.2983 -19.2983 -19.2966 -19.2966 -5.4986 -5.4986 -3.3361 -3.3361 0.4445 0.4445 2.5837 2.5837 2.6809 2.6809 4.6482 4.6482 5.0443 5.0443 5.2804 5.2804 5.2977 5.2977 5.9575 5.9575 6.7163 6.7163 8.2688 8.2688 k = 0.0463 0.0463-0.0000 ( 8047 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4761 -19.4761 -19.3254 -19.3254 -19.3157 -19.3157 -19.2982 -19.2982 -19.2966 -19.2966 -5.5127 -5.5127 -3.3416 -3.3416 0.4337 0.4337 2.6657 2.6657 2.7442 2.7442 4.6126 4.6126 5.1467 5.1467 5.1678 5.1678 5.3628 5.3628 5.9065 5.9065 6.6143 6.6143 8.1843 8.1843 k = 0.0370 0.0370-0.0000 ( 8037 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4760 -19.4760 -19.3254 -19.3254 -19.3157 -19.3157 -19.2981 -19.2981 -19.2966 -19.2966 -5.5242 -5.5242 -3.3462 -3.3462 0.4248 0.4248 2.7377 2.7377 2.8018 2.8018 4.5768 4.5768 5.0691 5.0691 5.2427 5.2427 5.4221 5.4221 5.8667 5.8667 6.5160 6.5160 8.1120 8.1120 k = 0.0278 0.0278-0.0000 ( 8043 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4759 -19.4759 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5331 -5.5331 -3.3498 -3.3498 0.4178 0.4178 2.7966 2.7966 2.8519 2.8519 4.5441 4.5441 4.9877 4.9877 5.3260 5.3260 5.4755 5.4755 5.8373 5.8373 6.4253 6.4253 8.0534 8.0534 k = 0.0185 0.0185-0.0000 ( 8045 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5395 -5.5395 -3.3524 -3.3524 0.4128 0.4128 2.8398 2.8398 2.8916 2.8916 4.5179 4.5179 4.9264 4.9264 5.3895 5.3895 5.5228 5.5228 5.8174 5.8174 6.3483 6.3483 8.0102 8.0102 k = 0.0093 0.0093-0.0000 ( 8025 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2965 -19.2965 -5.5434 -5.5434 -3.3540 -3.3540 0.4098 0.4098 2.8661 2.8661 2.9175 2.9175 4.5009 4.5009 4.8882 4.8882 5.4278 5.4278 5.5591 5.5591 5.8060 5.8060 6.2944 6.2944 7.9837 7.9837 k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4758 -19.4758 -19.3253 -19.3253 -19.3157 -19.3157 -19.2980 -19.2980 -19.2965 -19.2965 -5.5447 -5.5447 -3.3545 -3.3545 0.4088 0.4088 2.8749 2.8749 2.9265 2.9265 4.4950 4.4950 4.8752 4.8752 5.4402 5.4402 5.5733 5.5733 5.8023 5.8023 6.2746 6.2746 7.9748 7.9748 k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4758 -19.4758 -19.3253 -19.3253 -19.3157 -19.3157 -19.2980 -19.2980 -19.2965 -19.2965 -5.5447 -5.5447 -3.3545 -3.3545 0.4088 0.4088 2.8749 2.8749 2.9265 2.9265 4.4950 4.4950 4.8752 4.8752 5.4402 5.4402 5.5733 5.5733 5.8023 5.8023 6.2746 6.2746 7.9748 7.9748 k = 0.0000 0.0000 0.0127 ( 8029 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.5444 -5.5444 -3.3556 -3.3556 0.4122 0.4122 2.8750 2.8750 2.9266 2.9266 4.4848 4.4848 4.8755 4.8755 5.4393 5.4393 5.5724 5.5724 5.7919 5.7919 6.2965 6.2965 7.9728 7.9728 k = 0.0000 0.0000 0.0255 ( 8033 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4988 -19.4988 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.5435 -5.5435 -3.3589 -3.3589 0.4222 0.4222 2.8754 2.8754 2.9270 2.9270 4.4547 4.4547 4.8761 4.8761 5.4368 5.4368 5.5698 5.5698 5.7662 5.7662 6.3562 6.3562 7.9670 7.9670 k = 0.0000 0.0000 0.0382 ( 8053 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5421 -5.5421 -3.3644 -3.3644 0.4388 0.4388 2.8761 2.8761 2.9276 2.9276 4.4061 4.4061 4.8772 4.8772 5.4325 5.4325 5.5654 5.5654 5.7353 5.7353 6.4419 6.4419 7.9576 7.9576 k = 0.0000 0.0000 0.0510 ( 8053 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.5402 -5.5402 -3.3718 -3.3718 0.4618 0.4618 2.8770 2.8770 2.9285 2.9285 4.3412 4.3412 4.8787 4.8787 5.4268 5.4268 5.5594 5.5594 5.7060 5.7060 6.5447 6.5447 7.9448 7.9448 k = 0.0000 0.0000 0.0637 ( 8041 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.5377 -5.5377 -3.3811 -3.3811 0.4910 0.4910 2.8782 2.8782 2.9296 2.9296 4.2625 4.2625 4.8806 4.8806 5.4195 5.4195 5.5520 5.5520 5.6815 5.6815 6.6587 6.6587 7.9290 7.9290 k = 0.0000 0.0000 0.0765 ( 8041 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.5348 -5.5348 -3.3920 -3.3920 0.5262 0.5262 2.8795 2.8795 2.9310 2.9310 4.1729 4.1729 4.8828 4.8828 5.4110 5.4110 5.5433 5.5433 5.6624 5.6624 6.7801 6.7801 7.9108 7.9108 k = 0.0000 0.0000 0.0892 ( 8073 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2967 -19.2967 -5.5315 -5.5315 -3.4043 -3.4043 0.5669 0.5669 2.8811 2.8811 2.9325 2.9325 4.0749 4.0749 4.8853 4.8853 5.4014 5.4014 5.5335 5.5335 5.6486 5.6486 6.9061 6.9061 7.8905 7.8905 k = 0.0000 0.0000 0.1019 ( 8089 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4759 -19.4759 -19.3255 -19.3255 -19.3159 -19.3159 -19.2979 -19.2979 -19.2967 -19.2967 -5.5279 -5.5279 -3.4177 -3.4177 0.6127 0.6127 2.8828 2.8828 2.9341 2.9341 3.9709 3.9709 4.8881 4.8881 5.3910 5.3910 5.5229 5.5229 5.6393 5.6393 7.0348 7.0348 7.8686 7.8686 k = 0.0000 0.0000 0.1147 ( 8085 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4759 -19.4759 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2967 -19.2967 -5.5240 -5.5240 -3.4318 -3.4318 0.6633 0.6633 2.8846 2.8846 2.9359 2.9359 3.8627 3.8627 4.8911 4.8911 5.3799 5.3799 5.5117 5.5117 5.6338 5.6338 7.1644 7.1644 7.8459 7.8459 k = 0.0000 0.0000 0.1274 ( 8085 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4759 -19.4759 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2967 -19.2967 -5.5199 -5.5199 -3.4465 -3.4465 0.7182 0.7182 2.8865 2.8865 2.9377 2.9377 3.7521 3.7521 4.8942 4.8942 5.3685 5.3685 5.5001 5.5001 5.6312 5.6312 7.2933 7.2933 7.8226 7.8226 k = 0.0000 0.0000 0.1402 ( 8065 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2966 -19.2966 -5.5157 -5.5157 -3.4614 -3.4614 0.7766 0.7766 2.8884 2.8884 2.9396 2.9396 3.6407 3.6407 4.8975 4.8975 5.3570 5.3570 5.4883 5.4883 5.6310 5.6310 7.4198 7.4198 7.7994 7.7994 k = 0.0000 0.0000 0.1529 ( 8073 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2967 -19.2967 -5.5114 -5.5114 -3.4762 -3.4762 0.8379 0.8379 2.8904 2.8904 2.9415 2.9415 3.5298 3.5298 4.9007 4.9007 5.3456 5.3456 5.4767 5.4767 5.6326 5.6326 7.5422 7.5422 7.7766 7.7766 k = 0.0000 0.0000 0.1656 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2966 -19.2966 -5.5072 -5.5072 -3.4907 -3.4907 0.9013 0.9013 2.8923 2.8923 2.9434 2.9434 3.4207 3.4207 4.9039 4.9039 5.3345 5.3345 5.4654 5.4654 5.6353 5.6353 7.6587 7.6587 7.7548 7.7548 k = 0.0000 0.0000 0.1784 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2966 -19.2966 -5.5031 -5.5031 -3.5044 -3.5044 0.9659 0.9659 2.8941 2.8941 2.9452 2.9452 3.3147 3.3147 4.9070 4.9070 5.3240 5.3240 5.4547 5.4547 5.6389 5.6389 7.7342 7.7342 7.7673 7.7673 k = 0.0000 0.0000 0.1911 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2966 -19.2966 -5.4992 -5.4992 -3.5173 -3.5173 1.0304 1.0304 2.8959 2.8959 2.9468 2.9468 3.2133 3.2133 4.9099 4.9099 5.3142 5.3142 5.4447 5.4447 5.6430 5.6430 7.7152 7.7152 7.8660 7.8660 k = 0.0000 0.0000 0.2039 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2966 -19.2966 -5.4957 -5.4957 -3.5289 -3.5289 1.0935 1.0935 2.8974 2.8974 2.9484 2.9484 3.1181 3.1181 4.9125 4.9125 5.3054 5.3054 5.4357 5.4357 5.6471 5.6471 7.6982 7.6982 7.9529 7.9529 k = 0.0000 0.0000 0.2166 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3158 -19.3158 -19.2979 -19.2979 -19.2967 -19.2967 -5.4925 -5.4925 -3.5392 -3.5392 1.1533 1.1533 2.8988 2.8988 2.9498 2.9498 3.0309 3.0309 4.9149 4.9149 5.2976 5.2976 5.4278 5.4278 5.6511 5.6511 7.6833 7.6833 8.0265 8.0265 k = 0.0000 0.0000 0.2294 ( 8048 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4899 -5.4899 -3.5478 -3.5478 1.2078 1.2078 2.8997 2.8997 2.9509 2.9509 2.9542 2.9542 4.9169 4.9169 5.2911 5.2911 5.4211 5.4211 5.6547 5.6547 7.6708 7.6708 8.0859 8.0859 k = 0.0000 0.0000 0.2421 ( 8060 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4990 -19.4990 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2967 -19.2967 -5.4877 -5.4877 -3.5547 -3.5547 1.2544 1.2544 2.8877 2.8877 2.9030 2.9030 2.9518 2.9518 4.9185 4.9185 5.2859 5.2859 5.4158 5.4158 5.6577 5.6577 7.6609 7.6609 8.1311 8.1311 k = 0.0000 0.0000 0.2548 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4861 -5.4861 -3.5598 -3.5598 1.2905 1.2905 2.8406 2.8406 2.9022 2.9022 2.9525 2.9525 4.9197 4.9197 5.2821 5.2821 5.4119 5.4119 5.6600 5.6600 7.6538 7.6538 8.1625 8.1625 k = 0.0000 0.0000 0.2676 ( 8056 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4852 -5.4852 -3.5628 -3.5628 1.3134 1.3134 2.8102 2.8102 2.9025 2.9025 2.9529 2.9529 4.9204 4.9204 5.2798 5.2798 5.4096 5.4096 5.6614 5.6614 7.6495 7.6495 8.1809 8.1809 k = 0.0000 0.0000 0.2803 ( 8052 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4848 -5.4848 -3.5638 -3.5638 1.3213 1.3213 2.7999 2.7999 2.9026 2.9026 2.9531 2.9531 4.9207 4.9207 5.2791 5.2791 5.4088 5.4088 5.6619 5.6619 7.6480 7.6480 8.1869 8.1869 k = 0.0000 0.0000 0.2803 ( 8052 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4848 -5.4848 -3.5638 -3.5638 1.3213 1.3213 2.7999 2.7999 2.9026 2.9026 2.9531 2.9531 4.9207 4.9207 5.2791 5.2791 5.4088 5.4088 5.6619 5.6619 7.6480 7.6480 8.1869 8.1869 k = 0.0000 0.0132 0.2803 ( 8048 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4836 -5.4836 -3.5631 -3.5631 1.3214 1.3214 2.7677 2.7677 2.9134 2.9134 2.9614 2.9614 4.9335 4.9335 5.2721 5.2721 5.4021 5.4021 5.6691 5.6691 7.6577 7.6577 8.1954 8.1954 k = 0.0000 0.0263 0.2803 ( 8040 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4797 -5.4797 -3.5611 -3.5611 1.3215 1.3215 2.6959 2.6959 2.9257 2.9257 2.9832 2.9832 4.9701 4.9701 5.2477 5.2477 5.3870 5.3870 5.6917 5.6917 7.6846 7.6846 8.2218 8.2218 k = 0.0000 0.0395 0.2803 ( 8044 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4759 -19.4759 -19.3255 -19.3255 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.4733 -5.4733 -3.5578 -3.5578 1.3217 1.3217 2.6026 2.6026 2.9351 2.9351 3.0084 3.0084 5.0247 5.0247 5.1990 5.1990 5.3732 5.3732 5.7316 5.7316 7.7224 7.7224 8.2691 8.2691 k = 0.0000 0.0526 0.2803 ( 8040 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4760 -19.4760 -19.3255 -19.3255 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.4643 -5.4643 -3.5531 -3.5531 1.3219 1.3219 2.4938 2.4938 2.9450 2.9450 3.0324 3.0324 5.0894 5.0894 5.1260 5.1260 5.3652 5.3652 5.7919 5.7919 7.7634 7.7634 8.3404 8.3404 k = 0.0000 0.0658 0.2803 ( 8044 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4988 -19.4988 -19.4761 -19.4761 -19.3255 -19.3255 -19.3157 -19.3157 -19.2981 -19.2981 -19.2967 -19.2967 -5.4528 -5.4528 -3.5472 -3.5472 1.3218 1.3218 2.3732 2.3732 2.9565 2.9565 3.0551 3.0551 5.0345 5.0345 5.1563 5.1563 5.3617 5.3617 5.8758 5.8758 7.8012 7.8012 8.4373 8.4373 k = 0.0000 0.0789 0.2803 ( 8038 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4763 -19.4763 -19.3254 -19.3254 -19.3157 -19.3157 -19.2981 -19.2981 -19.2967 -19.2967 -5.4388 -5.4388 -3.5401 -3.5401 1.3214 1.3214 2.2438 2.2438 2.9702 2.9702 3.0774 3.0774 4.9303 4.9303 5.2193 5.2193 5.3609 5.3609 5.9849 5.9849 7.8329 7.8329 8.5578 8.5578 k = 0.0000 0.0921 0.2803 ( 8052 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4765 -19.4765 -19.3254 -19.3254 -19.3157 -19.3157 -19.2983 -19.2983 -19.2967 -19.2967 -5.4222 -5.4222 -3.5318 -3.5318 1.3203 1.3203 2.1084 2.1084 2.9862 2.9862 3.0999 3.0999 4.8182 4.8182 5.2759 5.2759 5.3616 5.3616 6.1183 6.1183 7.8580 7.8580 8.6937 8.6937 k = 0.0000 0.1053 0.2803 ( 8052 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4986 -19.4986 -19.4767 -19.4767 -19.3254 -19.3254 -19.3157 -19.3157 -19.2984 -19.2984 -19.2968 -19.2968 -5.4031 -5.4031 -3.5226 -3.5226 1.3184 1.3184 1.9690 1.9690 3.0044 3.0044 3.1233 3.1233 4.7016 4.7016 5.3260 5.3260 5.3631 5.3631 6.2732 6.2732 7.8775 7.8775 8.6681 8.6681 k = 0.0000 0.1184 0.2803 ( 8056 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4985 -19.4985 -19.4770 -19.4770 -19.3254 -19.3254 -19.3158 -19.3158 -19.2985 -19.2985 -19.2968 -19.2968 -5.3816 -5.3816 -3.5124 -3.5124 1.3153 1.3153 1.8274 1.8274 3.0250 3.0250 3.1480 3.1480 4.5832 4.5832 5.3642 5.3642 5.3718 5.3718 6.4459 6.4459 7.8923 7.8923 8.5357 8.5357 k = 0.0000 0.1316 0.2803 ( 8060 PWs) bands (ev): -47.4394 -47.4394 -47.4355 -47.4355 -19.4984 -19.4984 -19.4773 -19.4773 -19.3253 -19.3253 -19.3158 -19.3158 -19.2987 -19.2987 -19.2969 -19.2969 -5.3575 -5.3575 -3.5015 -3.5015 1.3106 1.3106 1.6851 1.6851 3.0479 3.0479 3.1743 3.1743 4.4652 4.4652 5.3666 5.3666 5.4132 5.4132 6.6330 6.6330 7.9031 7.9031 8.4003 8.4003 k = 0.0000 0.1447 0.2803 ( 8060 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4983 -19.4983 -19.4776 -19.4776 -19.3253 -19.3253 -19.3158 -19.3158 -19.2988 -19.2988 -19.2969 -19.2969 -5.3310 -5.3310 -3.4899 -3.4899 1.3037 1.3037 1.5433 1.5433 3.0731 3.0731 3.2022 3.2022 4.3493 4.3493 5.3683 5.3683 5.4531 5.4531 6.8315 6.8315 7.9100 7.9100 8.2646 8.2646 k = 0.0000 0.1579 0.2803 ( 8062 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4982 -19.4982 -19.4779 -19.4779 -19.3253 -19.3253 -19.3158 -19.3158 -19.2990 -19.2990 -19.2970 -19.2970 -5.3020 -5.3020 -3.4778 -3.4778 1.2936 1.2936 1.4035 1.4035 3.1007 3.1007 3.2320 3.2320 4.2371 4.2371 5.3694 5.3694 5.4923 5.4923 7.0389 7.0389 7.9127 7.9127 8.1298 8.1298 k = 0.0000 0.1711 0.2803 ( 8070 PWs) bands (ev): -47.4393 -47.4393 -47.4356 -47.4356 -19.4981 -19.4981 -19.4782 -19.4782 -19.3252 -19.3252 -19.3159 -19.3159 -19.2992 -19.2992 -19.2970 -19.2970 -5.2706 -5.2706 -3.4655 -3.4655 1.2558 1.2558 1.2908 1.2908 3.1305 3.1305 3.2635 3.2635 4.1299 4.1299 5.3698 5.3698 5.5316 5.5316 7.2522 7.2522 7.9105 7.9105 7.9980 7.9980 k = 0.0000 0.1842 0.2803 ( 8070 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4979 -19.4979 -19.4786 -19.4786 -19.3252 -19.3252 -19.3159 -19.3159 -19.2993 -19.2993 -19.2970 -19.2970 -5.2369 -5.2369 -3.4531 -3.4531 1.1259 1.1259 1.2695 1.2695 3.1627 3.1627 3.2968 3.2968 4.0287 4.0287 5.3690 5.3690 5.5713 5.5713 7.4645 7.4645 7.8741 7.8741 7.9038 7.9038 k = 0.0000 0.1974 0.2803 ( 8062 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4977 -19.4977 -19.4789 -19.4789 -19.3251 -19.3251 -19.3160 -19.3160 -19.2995 -19.2995 -19.2971 -19.2971 -5.2008 -5.2008 -3.4410 -3.4410 0.9942 0.9942 1.2495 1.2495 3.1970 3.1970 3.3318 3.3318 3.9347 3.9347 5.3670 5.3670 5.6119 5.6119 7.6179 7.6179 7.8182 7.8182 7.8889 7.8889 k = 0.0000 0.2105 0.2803 ( 8062 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4975 -19.4975 -19.4794 -19.4794 -19.3250 -19.3250 -19.3160 -19.3160 -19.2996 -19.2996 -19.2972 -19.2972 -5.1624 -5.1624 -3.4292 -3.4292 0.8662 0.8662 1.2254 1.2254 3.2336 3.2336 3.3684 3.3684 3.8489 3.8489 5.3632 5.3632 5.6534 5.6534 7.5588 7.5588 7.8636 7.8636 7.9843 7.9843 k = 0.0000 0.2237 0.2803 ( 8064 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4974 -19.4974 -19.4798 -19.4798 -19.3249 -19.3249 -19.3161 -19.3161 -19.2998 -19.2998 -19.2973 -19.2973 -5.1217 -5.1217 -3.4183 -3.4183 0.7427 0.7427 1.1965 1.1965 3.2723 3.2723 3.4065 3.4065 3.7719 3.7719 5.3575 5.3575 5.6960 5.6960 7.4423 7.4423 7.8305 7.8305 8.2131 8.2131 k = 0.0000 0.2368 0.2803 ( 8062 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4972 -19.4972 -19.4802 -19.4802 -19.3249 -19.3249 -19.3162 -19.3162 -19.2999 -19.2999 -19.2973 -19.2973 -5.0788 -5.0788 -3.4085 -3.4085 0.6244 0.6244 1.1625 1.1625 3.3130 3.3130 3.4456 3.4456 3.7047 3.7047 5.3495 5.3495 5.7396 5.7396 7.3217 7.3217 7.7855 7.7855 8.4542 8.4542 k = 0.0000 0.2500 0.2803 ( 8048 PWs) bands (ev): -47.4389 -47.4389 -47.4359 -47.4359 -19.4969 -19.4969 -19.4806 -19.4806 -19.3247 -19.3247 -19.3162 -19.3162 -19.3000 -19.3000 -19.2973 -19.2973 -5.0337 -5.0337 -3.4001 -3.4001 0.5117 0.5117 1.1230 1.1230 3.3557 3.3557 3.4852 3.4852 3.6483 3.6483 5.3388 5.3388 5.7838 5.7838 7.2030 7.2030 7.7281 7.7281 8.6992 8.6992 k = 0.0000 0.2632 0.2803 ( 8052 PWs) bands (ev): -47.4388 -47.4388 -47.4359 -47.4359 -19.4967 -19.4967 -19.4811 -19.4811 -19.3246 -19.3246 -19.3164 -19.3164 -19.3002 -19.3002 -19.2974 -19.2974 -4.9866 -4.9866 -3.3936 -3.3936 0.4052 0.4052 1.0780 1.0780 3.4001 3.4001 3.5227 3.5227 3.6053 3.6053 5.3252 5.3252 5.8285 5.8285 7.0885 7.0885 7.6584 7.6584 8.6233 8.6233 k = 0.0000 0.2763 0.2803 ( 8056 PWs) bands (ev): -47.4388 -47.4388 -47.4360 -47.4360 -19.4965 -19.4965 -19.4816 -19.4816 -19.3245 -19.3245 -19.3165 -19.3165 -19.3003 -19.3003 -19.2975 -19.2975 -4.9374 -4.9374 -3.3893 -3.3893 0.3055 0.3055 1.0276 1.0276 3.4452 3.4452 3.5413 3.5413 3.5932 3.5932 5.3084 5.3084 5.8728 5.8728 6.9797 6.9797 7.5777 7.5777 8.5506 8.5506 k = 0.0000 0.2895 0.2803 ( 8056 PWs) bands (ev): -47.4387 -47.4387 -47.4361 -47.4361 -19.4962 -19.4962 -19.4821 -19.4821 -19.3244 -19.3244 -19.3167 -19.3167 -19.3004 -19.3004 -19.2976 -19.2976 -4.8862 -4.8862 -3.3877 -3.3877 0.2129 0.2129 0.9722 0.9722 3.4855 3.4855 3.5337 3.5337 3.6244 3.6244 5.2880 5.2880 5.9158 5.9158 6.8783 6.8783 7.4876 7.4876 8.4832 8.4832 k = 0.0000 0.3026 0.2803 ( 8064 PWs) bands (ev): -47.4386 -47.4386 -47.4361 -47.4361 -19.4959 -19.4959 -19.4826 -19.4826 -19.3243 -19.3243 -19.3168 -19.3168 -19.3005 -19.3005 -19.2977 -19.2977 -4.8332 -4.8332 -3.3892 -3.3892 0.1281 0.1281 0.9122 0.9122 3.4947 3.4947 3.5590 3.5590 3.6650 3.6650 5.2640 5.2640 5.9558 5.9558 6.7866 6.7866 7.3902 7.3902 8.4186 8.4186 k = 0.0000 0.3158 0.2803 ( 8056 PWs) bands (ev): -47.4385 -47.4385 -47.4362 -47.4362 -19.4956 -19.4956 -19.4831 -19.4831 -19.3241 -19.3241 -19.3170 -19.3170 -19.3006 -19.3006 -19.2978 -19.2978 -4.7783 -4.7783 -3.3942 -3.3942 0.0515 0.0515 0.8480 0.8480 3.4900 3.4900 3.6075 3.6075 3.7069 3.7069 5.2360 5.2360 5.9903 5.9903 6.7077 6.7077 7.2878 7.2878 8.3547 8.3547 k = 0.0000 0.3289 0.2803 ( 8056 PWs) bands (ev): -47.4384 -47.4384 -47.4363 -47.4363 -19.4954 -19.4954 -19.4836 -19.4836 -19.3239 -19.3239 -19.3172 -19.3172 -19.3006 -19.3006 -19.2979 -19.2979 -4.7218 -4.7218 -3.4030 -3.4030 -0.0166 -0.0166 0.7805 0.7805 3.4900 3.4900 3.6605 3.6605 3.7486 3.7486 5.2041 5.2041 6.0158 6.0158 6.6459 6.6459 7.1821 7.1821 8.2897 8.2897 k = 0.0000 0.3421 0.2803 ( 8048 PWs) bands (ev): -47.4384 -47.4384 -47.4363 -47.4363 -19.4950 -19.4950 -19.4841 -19.4841 -19.3238 -19.3238 -19.3174 -19.3174 -19.3006 -19.3006 -19.2980 -19.2980 -4.6637 -4.6637 -3.4160 -3.4160 -0.0758 -0.0758 0.7103 0.7103 3.4968 3.4968 3.7155 3.7155 3.7893 3.7893 5.1682 5.1682 6.0282 6.0282 6.6059 6.6059 7.0748 7.0748 8.2225 8.2225 k = 0.0000 0.3553 0.2803 ( 8038 PWs) bands (ev): -47.4383 -47.4383 -47.4364 -47.4364 -19.4947 -19.4947 -19.4846 -19.4846 -19.3235 -19.3235 -19.3176 -19.3176 -19.3006 -19.3006 -19.2981 -19.2981 -4.6041 -4.6041 -3.4334 -3.4334 -0.1257 -0.1257 0.6382 0.6382 3.5100 3.5100 3.7714 3.7714 3.8288 3.8288 5.1283 5.1283 6.0251 6.0251 6.5910 6.5910 6.9673 6.9673 8.1524 8.1524 k = 0.0000 0.3684 0.2803 ( 8042 PWs) bands (ev): -47.4382 -47.4382 -47.4365 -47.4365 -19.4943 -19.4943 -19.4852 -19.4852 -19.3233 -19.3233 -19.3179 -19.3179 -19.3006 -19.3006 -19.2983 -19.2983 -4.5432 -4.5432 -3.4555 -3.4555 -0.1662 -0.1662 0.5649 0.5649 3.5291 3.5291 3.8256 3.8256 3.8684 3.8684 5.0846 5.0846 6.0078 6.0078 6.6007 6.6007 6.8605 6.8605 8.0791 8.0791 k = 0.0000 0.3816 0.2803 ( 8038 PWs) bands (ev): -47.4381 -47.4381 -47.4366 -47.4366 -19.4940 -19.4940 -19.4857 -19.4857 -19.3231 -19.3231 -19.3181 -19.3181 -19.3005 -19.3005 -19.2984 -19.2984 -4.4812 -4.4812 -3.4823 -3.4823 -0.1973 -0.1973 0.4911 0.4911 3.5534 3.5534 3.8714 3.8714 3.9141 3.9141 5.0372 5.0372 5.9818 5.9818 6.6304 6.6304 6.7555 6.7555 8.0028 8.0028 k = 0.0000 0.3947 0.2803 ( 8036 PWs) bands (ev): -47.4380 -47.4380 -47.4366 -47.4366 -19.4936 -19.4936 -19.4862 -19.4862 -19.3229 -19.3229 -19.3184 -19.3184 -19.3005 -19.3005 -19.2985 -19.2985 -4.4182 -4.4182 -3.5138 -3.5138 -0.2188 -0.2188 0.4176 0.4176 3.5822 3.5822 3.9035 3.9035 3.9697 3.9697 4.9863 4.9863 5.9533 5.9533 6.6508 6.6508 6.6772 6.6772 7.9238 7.9238 k = 0.0000 0.4079 0.2803 ( 8028 PWs) bands (ev): -47.4379 -47.4379 -47.4367 -47.4367 -19.4932 -19.4932 -19.4867 -19.4867 -19.3227 -19.3227 -19.3187 -19.3187 -19.3004 -19.3004 -19.2987 -19.2987 -4.3545 -4.3545 -3.5500 -3.5500 -0.2310 -0.2310 0.3451 0.3451 3.6146 3.6146 3.9256 3.9256 4.0308 4.0308 4.9323 4.9323 5.9275 5.9275 6.5530 6.5530 6.7308 6.7308 7.8425 7.8425 k = 0.0000 0.4211 0.2803 ( 8028 PWs) bands (ev): -47.4378 -47.4378 -47.4368 -47.4368 -19.4928 -19.4928 -19.4872 -19.4872 -19.3224 -19.3224 -19.3190 -19.3190 -19.3003 -19.3003 -19.2988 -19.2988 -4.2902 -4.2902 -3.5906 -3.5906 -0.2341 -0.2341 0.2742 0.2742 3.6498 3.6498 3.9395 3.9395 4.0944 4.0944 4.8754 4.8754 5.9082 5.9082 6.4578 6.4578 6.7934 6.7934 7.7594 7.7594 k = 0.0000 0.4342 0.2803 ( 8036 PWs) bands (ev): -47.4378 -47.4378 -47.4369 -47.4369 -19.4925 -19.4925 -19.4877 -19.4877 -19.3222 -19.3222 -19.3193 -19.3193 -19.3002 -19.3002 -19.2989 -19.2989 -4.2256 -4.2256 -3.6353 -3.6353 -0.2284 -0.2284 0.2055 0.2055 3.6870 3.6870 3.9457 3.9457 4.1595 4.1595 4.8161 4.8161 5.8980 5.8980 6.3672 6.3672 6.8615 6.8615 7.6751 7.6751 k = 0.0000 0.4474 0.2803 ( 8034 PWs) bands (ev): -47.4377 -47.4377 -47.4370 -47.4370 -19.4920 -19.4920 -19.4882 -19.4882 -19.3219 -19.3219 -19.3196 -19.3196 -19.3001 -19.3001 -19.2991 -19.2991 -4.1609 -4.1609 -3.6839 -3.6839 -0.2142 -0.2142 0.1396 0.1396 3.7252 3.7252 3.9442 3.9442 4.2256 4.2256 4.7546 4.7546 5.8984 5.8984 6.2821 6.2821 6.9339 6.9339 7.5900 7.5900 k = 0.0000 0.4605 0.2803 ( 8034 PWs) bands (ev): -47.4376 -47.4376 -47.4371 -47.4371 -19.4916 -19.4916 -19.4887 -19.4887 -19.3216 -19.3216 -19.3199 -19.3199 -19.3000 -19.3000 -19.2992 -19.2992 -4.0965 -4.0965 -3.7359 -3.7359 -0.1921 -0.1921 0.0772 0.0772 3.7635 3.7635 3.9351 3.9351 4.2924 4.2924 4.6912 4.6912 5.9101 5.9101 6.2032 6.2032 7.0096 7.0096 7.5046 7.5046 k = 0.0000 0.4737 0.2803 ( 8042 PWs) bands (ev): -47.4375 -47.4375 -47.4371 -47.4371 -19.4912 -19.4912 -19.4892 -19.4892 -19.3214 -19.3214 -19.3202 -19.3202 -19.2999 -19.2999 -19.2994 -19.2994 -4.0327 -4.0327 -3.7910 -3.7910 -0.1626 -0.1626 0.0188 0.0188 3.8009 3.8009 3.9189 3.9189 4.3595 4.3595 4.6265 4.6265 5.9333 5.9333 6.1314 6.1314 7.0881 7.0881 7.4194 7.4194 k = 0.0000 0.4868 0.2803 ( 8032 PWs) bands (ev): -47.4374 -47.4374 -47.4372 -47.4372 -19.4907 -19.4907 -19.4897 -19.4897 -19.3211 -19.3211 -19.3205 -19.3205 -19.2998 -19.2998 -19.2995 -19.2995 -3.9699 -3.9699 -3.8486 -3.8486 -0.1262 -0.1262 -0.0349 -0.0349 3.8362 3.8362 3.8963 3.8963 4.4268 4.4268 4.5606 4.5606 5.9677 5.9677 6.0676 6.0676 7.1687 7.1687 7.3348 7.3348 k = 0.0000 0.5000 0.2803 ( 8028 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9084 -3.9084 -3.9084 -3.9084 -0.0834 -0.0834 -0.0834 -0.0834 3.8684 3.8684 3.8684 3.8684 4.4939 4.4939 4.4939 4.4939 6.0128 6.0128 6.0128 6.0128 7.2510 7.2510 7.2511 7.2511 k = 0.0000 0.5000 0.2803 ( 8028 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9084 -3.9084 -3.9084 -3.9084 -0.0834 -0.0834 -0.0834 -0.0834 3.8684 3.8684 3.8684 3.8684 4.4939 4.4939 4.4939 4.4939 6.0128 6.0128 6.0128 6.0128 7.2510 7.2510 7.2511 7.2511 k = 0.0132 0.5000 0.2803 ( 8024 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3212 -19.3212 -19.3203 -19.3203 -19.3000 -19.3000 -19.2992 -19.2992 -3.9073 -3.9073 -3.9072 -3.9072 -0.0828 -0.0828 -0.0826 -0.0826 3.8650 3.8650 3.8697 3.8697 4.4764 4.4764 4.4787 4.4787 6.0211 6.0211 6.0248 6.0248 7.2623 7.2623 7.2624 7.2624 k = 0.0263 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4903 -19.4903 -19.4901 -19.4901 -19.3216 -19.3216 -19.3199 -19.3199 -19.3004 -19.3004 -19.2989 -19.2989 -3.9040 -3.9040 -3.9038 -3.9038 -0.0807 -0.0807 -0.0803 -0.0803 3.8588 3.8588 3.8689 3.8689 4.4279 4.4279 4.4334 4.4334 6.0480 6.0480 6.0550 6.0550 7.2959 7.2959 7.2962 7.2962 k = 0.0395 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4903 -19.4903 -19.4901 -19.4901 -19.3220 -19.3220 -19.3195 -19.3195 -19.3008 -19.3008 -19.2986 -19.2986 -3.8986 -3.8986 -3.8982 -3.8982 -0.0771 -0.0771 -0.0765 -0.0765 3.8487 3.8487 3.8657 3.8657 4.3537 4.3537 4.3644 4.3644 6.0886 6.0886 6.0981 6.0981 7.3517 7.3517 7.3524 7.3524 k = 0.0526 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4904 -19.4904 -19.4901 -19.4901 -19.3224 -19.3224 -19.3190 -19.3190 -19.3013 -19.3013 -19.2983 -19.2983 -3.8908 -3.8908 -3.8904 -3.8904 -0.0722 -0.0722 -0.0713 -0.0713 3.8325 3.8325 3.8591 3.8591 4.2610 4.2610 4.2801 4.2801 6.1368 6.1368 6.1482 6.1482 7.4285 7.4285 7.4300 7.4300 k = 0.0658 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4905 -19.4905 -19.4901 -19.4901 -19.3228 -19.3228 -19.3186 -19.3186 -19.3017 -19.3017 -19.2979 -19.2979 -3.8810 -3.8810 -3.8804 -3.8804 -0.0659 -0.0659 -0.0648 -0.0648 3.8059 3.8059 3.8463 3.8463 4.1581 4.1581 4.1904 4.1904 6.1877 6.1877 6.2002 6.2002 7.5241 7.5241 7.5266 7.5266 k = 0.0789 0.5000 0.2803 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4906 -19.4906 -19.4901 -19.4901 -19.3231 -19.3231 -19.3182 -19.3182 -19.3022 -19.3022 -19.2977 -19.2977 -3.8689 -3.8689 -3.8682 -3.8682 -0.0584 -0.0584 -0.0570 -0.0570 3.7619 3.7619 3.8202 3.8202 4.0571 4.0571 4.1069 4.1069 6.2381 6.2381 6.2512 6.2512 7.6334 7.6334 7.6371 7.6371 k = 0.0921 0.5000 0.2803 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4906 -19.4906 -19.4901 -19.4901 -19.3235 -19.3235 -19.3178 -19.3178 -19.3026 -19.3026 -19.2974 -19.2974 -3.8547 -3.8547 -3.8539 -3.8539 -0.0497 -0.0497 -0.0481 -0.0481 3.6931 3.6931 3.7650 3.7650 3.9771 3.9771 4.0404 4.0404 6.2863 6.2863 6.2995 6.2995 7.7449 7.7449 7.7496 7.7496 k = 0.1053 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4907 -19.4907 -19.4901 -19.4901 -19.3238 -19.3238 -19.3174 -19.3174 -19.3031 -19.3031 -19.2972 -19.2972 -3.8383 -3.8383 -3.8374 -3.8374 -0.0400 -0.0400 -0.0381 -0.0381 3.5991 3.5991 3.6710 3.6710 3.9305 3.9305 3.9940 3.9940 6.3317 6.3317 6.3448 6.3448 7.8289 7.8289 7.8318 7.8318 k = 0.1184 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4908 -19.4908 -19.4902 -19.4902 -19.3241 -19.3241 -19.3170 -19.3170 -19.3036 -19.3036 -19.2970 -19.2970 -3.8199 -3.8199 -3.8189 -3.8189 -0.0295 -0.0295 -0.0273 -0.0273 3.4871 3.4871 3.5528 3.5528 3.9048 3.9048 3.9623 3.9623 6.3743 6.3743 6.3872 6.3872 7.8351 7.8351 7.8392 7.8392 k = 0.1316 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4909 -19.4909 -19.4902 -19.4902 -19.3244 -19.3244 -19.3166 -19.3166 -19.3040 -19.3040 -19.2968 -19.2968 -3.7995 -3.7995 -3.7984 -3.7984 -0.0182 -0.0182 -0.0157 -0.0157 3.3653 3.3653 3.4248 3.4248 3.8868 3.8868 3.9386 3.9386 6.4145 6.4145 6.4271 6.4271 7.7734 7.7734 7.7835 7.7835 k = 0.1447 0.5000 0.2803 ( 8036 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4909 -19.4909 -19.4902 -19.4902 -19.3247 -19.3247 -19.3162 -19.3162 -19.3045 -19.3045 -19.2967 -19.2967 -3.7770 -3.7770 -3.7758 -3.7758 -0.0066 -0.0066 -0.0038 -0.0038 3.2390 3.2390 3.2939 3.2939 3.8707 3.8707 3.9183 3.9183 6.4527 6.4527 6.4649 6.4649 7.6884 7.6884 7.7022 7.7022 k = 0.1579 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4911 -19.4911 -19.4903 -19.4903 -19.3250 -19.3250 -19.3158 -19.3158 -19.3049 -19.3049 -19.2965 -19.2965 -3.7526 -3.7526 -3.7513 -3.7513 0.0052 0.0052 0.0084 0.0084 3.1117 3.1117 3.1632 3.1632 3.8543 3.8543 3.8990 3.8990 6.4889 6.4889 6.5007 6.5007 7.5987 7.5987 7.6149 7.6149 k = 0.1711 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4911 -19.4911 -19.4903 -19.4903 -19.3252 -19.3252 -19.3155 -19.3155 -19.3053 -19.3053 -19.2964 -19.2964 -3.7264 -3.7264 -3.7250 -3.7250 0.0168 0.0168 0.0205 0.0205 2.9856 2.9856 3.0347 3.0347 3.8363 3.8363 3.8790 3.8790 6.5233 6.5233 6.5344 6.5344 7.5117 7.5117 7.5296 7.5296 k = 0.1842 0.5000 0.2803 ( 8048 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4912 -19.4912 -19.4904 -19.4904 -19.3254 -19.3254 -19.3153 -19.3153 -19.3056 -19.3056 -19.2963 -19.2963 -3.6983 -3.6983 -3.6968 -3.6968 0.0280 0.0280 0.0320 0.0320 2.8623 2.8623 2.9097 2.9097 3.8158 3.8158 3.8572 3.8572 6.5556 6.5556 6.5658 6.5658 7.4313 7.4313 7.4503 7.4503 k = 0.1974 0.5000 0.2803 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4913 -19.4913 -19.4904 -19.4904 -19.3256 -19.3256 -19.3151 -19.3151 -19.3059 -19.3059 -19.2962 -19.2962 -3.6685 -3.6685 -3.6670 -3.6670 0.0382 0.0382 0.0427 0.0427 2.7432 2.7432 2.7893 2.7893 3.7924 3.7924 3.8330 3.8330 6.5851 6.5851 6.5941 6.5941 7.3601 7.3601 7.3797 7.3797 k = 0.2105 0.5000 0.2803 ( 8036 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4914 -19.4914 -19.4905 -19.4905 -19.3258 -19.3258 -19.3149 -19.3149 -19.3062 -19.3062 -19.2962 -19.2962 -3.6371 -3.6371 -3.6355 -3.6355 0.0470 0.0470 0.0520 0.0520 2.6294 2.6294 2.6745 2.6745 3.7655 3.7655 3.8056 3.8056 6.6109 6.6109 6.6183 6.6183 7.3007 7.3007 7.3201 7.3201 k = 0.2237 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4915 -19.4915 -19.4906 -19.4906 -19.3259 -19.3259 -19.3148 -19.3148 -19.3064 -19.3064 -19.2962 -19.2962 -3.6041 -3.6041 -3.6025 -3.6025 0.0540 0.0540 0.0594 0.0594 2.5218 2.5218 2.5663 2.5663 3.7349 3.7349 3.7747 3.7747 6.6321 6.6321 6.6371 6.6371 7.2551 7.2551 7.2735 7.2735 k = 0.2368 0.5000 0.2803 ( 8028 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4916 -19.4916 -19.4906 -19.4906 -19.3260 -19.3260 -19.3148 -19.3148 -19.3065 -19.3065 -19.2962 -19.2962 -3.5698 -3.5698 -3.5680 -3.5680 0.0585 0.0585 0.0644 0.0644 2.4214 2.4214 2.4655 2.4655 3.7002 3.7002 3.7399 3.7399 6.6477 6.6477 6.6496 6.6496 7.2252 7.2252 7.2417 7.2417 k = 0.2500 0.5000 0.2803 ( 8020 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4916 -19.4916 -19.4907 -19.4907 -19.3261 -19.3261 -19.3149 -19.3149 -19.3065 -19.3065 -19.2962 -19.2962 -3.5342 -3.5342 -3.5324 -3.5324 0.0600 0.0600 0.0663 0.0663 2.3292 2.3292 2.3730 2.3730 3.6613 3.6613 3.7010 3.7010 6.6555 6.6555 6.6574 6.6574 7.2117 7.2117 7.2254 7.2254 k = 0.2632 0.5000 0.2803 ( 8028 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4917 -19.4917 -19.4908 -19.4908 -19.3262 -19.3262 -19.3151 -19.3151 -19.3064 -19.3064 -19.2962 -19.2962 -3.4974 -3.4974 -3.4956 -3.4956 0.0579 0.0579 0.0646 0.0646 2.2461 2.2461 2.2896 2.2896 3.6180 3.6180 3.6577 3.6577 6.6558 6.6558 6.6617 6.6617 7.2137 7.2137 7.2243 7.2243 k = 0.2763 0.5000 0.2803 ( 8024 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4918 -19.4918 -19.4909 -19.4909 -19.3262 -19.3262 -19.3153 -19.3153 -19.3063 -19.3063 -19.2963 -19.2963 -3.4598 -3.4598 -3.4579 -3.4579 0.0518 0.0518 0.0587 0.0587 2.1729 2.1729 2.2162 2.2162 3.5704 3.5704 3.6101 3.6101 6.6526 6.6526 6.6623 6.6623 7.2294 7.2294 7.2367 7.2367 k = 0.2895 0.5000 0.2803 ( 8036 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4919 -19.4919 -19.4910 -19.4910 -19.3262 -19.3262 -19.3156 -19.3156 -19.3062 -19.3062 -19.2964 -19.2964 -3.4213 -3.4213 -3.4195 -3.4195 0.0412 0.0412 0.0483 0.0483 2.1103 2.1103 2.1533 2.1533 3.5185 3.5185 3.5582 3.5582 6.6485 6.6485 6.6616 6.6616 7.2560 7.2560 7.2604 7.2604 k = 0.3026 0.5000 0.2803 ( 8036 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4920 -19.4920 -19.4911 -19.4911 -19.3262 -19.3262 -19.3160 -19.3160 -19.3059 -19.3059 -19.2966 -19.2966 -3.3824 -3.3824 -3.3806 -3.3806 0.0259 0.0259 0.0331 0.0331 2.0587 2.0587 2.1015 2.1015 3.4626 3.4626 3.5022 3.5022 6.6457 6.6457 6.6615 6.6615 7.2910 7.2910 7.2928 7.2928 k = 0.3158 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4920 -19.4920 -19.4912 -19.4912 -19.3261 -19.3261 -19.3163 -19.3163 -19.3057 -19.3057 -19.2967 -19.2967 -3.3432 -3.3432 -3.3413 -3.3413 0.0059 0.0059 0.0130 0.0130 2.0186 2.0186 2.0610 2.0610 3.4029 3.4029 3.4424 3.4424 6.6459 6.6459 6.6638 6.6638 7.3319 7.3319 7.3322 7.3322 k = 0.3289 0.5000 0.2803 ( 8040 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4921 -19.4921 -19.4913 -19.4913 -19.3261 -19.3261 -19.3168 -19.3168 -19.3054 -19.3054 -19.2969 -19.2969 -3.3040 -3.3040 -3.3022 -3.3022 -0.0186 -0.0186 -0.0118 -0.0118 1.9899 1.9899 2.0319 2.0319 3.3397 3.3397 3.3790 3.3790 6.6502 6.6502 6.6697 6.6697 7.3757 7.3757 7.3779 7.3779 k = 0.3421 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4921 -19.4921 -19.4914 -19.4914 -19.3259 -19.3259 -19.3172 -19.3172 -19.3050 -19.3050 -19.2971 -19.2971 -3.2651 -3.2651 -3.2633 -3.2633 -0.0472 -0.0472 -0.0406 -0.0406 1.9725 1.9725 2.0140 2.0140 3.2734 3.2734 3.3125 3.3125 6.6592 6.6592 6.6798 6.6798 7.4228 7.4228 7.4266 7.4266 k = 0.3553 0.5000 0.2803 ( 8032 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4922 -19.4922 -19.4915 -19.4915 -19.3258 -19.3258 -19.3177 -19.3177 -19.3046 -19.3046 -19.2973 -19.2973 -3.2269 -3.2269 -3.2251 -3.2251 -0.0790 -0.0790 -0.0730 -0.0730 1.9660 1.9660 2.0070 2.0070 3.2045 3.2045 3.2434 3.2434 6.6730 6.6730 6.6944 6.6944 7.4718 7.4718 7.4772 7.4772 k = 0.3684 0.5000 0.2803 ( 8036 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4922 -19.4922 -19.4916 -19.4916 -19.3257 -19.3257 -19.3182 -19.3182 -19.3043 -19.3043 -19.2975 -19.2975 -3.1897 -3.1897 -3.1880 -3.1880 -0.1133 -0.1133 -0.1077 -0.1077 1.9697 1.9697 2.0101 2.0101 3.1334 3.1334 3.1720 3.1720 6.6915 6.6915 6.7133 6.7133 7.5214 7.5214 7.5284 7.5284 k = 0.3816 0.5000 0.2803 ( 8040 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4917 -19.4917 -19.3255 -19.3255 -19.3187 -19.3187 -19.3039 -19.3039 -19.2977 -19.2977 -3.1539 -3.1539 -3.1524 -3.1524 -0.1489 -0.1489 -0.1440 -0.1440 1.9829 1.9829 2.0227 2.0227 3.0605 3.0605 3.0989 3.0989 6.7144 6.7144 6.7362 6.7362 7.5703 7.5703 7.5788 7.5788 k = 0.3947 0.5000 0.2803 ( 8044 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4918 -19.4918 -19.3253 -19.3253 -19.3192 -19.3192 -19.3035 -19.3035 -19.2980 -19.2980 -3.1201 -3.1201 -3.1187 -3.1187 -0.1848 -0.1848 -0.1805 -0.1805 2.0048 2.0048 2.0440 2.0440 2.9865 2.9865 3.0245 3.0245 6.7410 6.7410 6.7625 6.7625 7.6169 7.6169 7.6270 7.6270 k = 0.4079 0.5000 0.2803 ( 8052 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4918 -19.4918 -19.3251 -19.3251 -19.3197 -19.3197 -19.3032 -19.3032 -19.2983 -19.2983 -3.0886 -3.0886 -3.0873 -3.0873 -0.2198 -0.2198 -0.2161 -0.2161 2.0345 2.0345 2.0732 2.0732 2.9116 2.9116 2.9493 2.9493 6.7707 6.7707 6.7915 6.7915 7.6593 7.6593 7.6711 7.6711 k = 0.4211 0.5000 0.2803 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4919 -19.4919 -19.3248 -19.3248 -19.3202 -19.3202 -19.3028 -19.3028 -19.2985 -19.2985 -3.0600 -3.0600 -3.0589 -3.0589 -0.2528 -0.2528 -0.2497 -0.2497 2.0713 2.0713 2.1095 2.1095 2.8365 2.8365 2.8739 2.8739 6.8023 6.8023 6.8221 6.8221 7.6954 7.6954 7.7089 7.7089 k = 0.4342 0.5000 0.2803 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4920 -19.4920 -19.3246 -19.3246 -19.3206 -19.3206 -19.3024 -19.3024 -19.2988 -19.2988 -3.0348 -3.0348 -3.0337 -3.0337 -0.2827 -0.2827 -0.2801 -0.2801 2.1144 2.1144 2.1521 2.1521 2.7615 2.7615 2.7987 2.7987 6.8347 6.8347 6.8529 6.8529 7.7229 7.7229 7.7376 7.7376 k = 0.4474 0.5000 0.2803 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4921 -19.4921 -19.3243 -19.3243 -19.3211 -19.3211 -19.3020 -19.3020 -19.2992 -19.2992 -3.0133 -3.0133 -3.0124 -3.0124 -0.3086 -0.3086 -0.3066 -0.3066 2.1630 2.1630 2.2003 2.2003 2.6872 2.6872 2.7241 2.7241 6.8662 6.8662 6.8821 6.8821 7.7402 7.7402 7.7553 7.7553 k = 0.4605 0.5000 0.2803 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4921 -19.4921 -19.3239 -19.3239 -19.3216 -19.3216 -19.3016 -19.3016 -19.2995 -19.2995 -2.9960 -2.9960 -2.9954 -2.9954 -0.3296 -0.3296 -0.3281 -0.3281 2.2164 2.2164 2.2533 2.2533 2.6141 2.6141 2.6507 2.6507 6.8948 6.8948 6.9079 6.9079 7.7477 7.7477 7.7616 7.7616 k = 0.4737 0.5000 0.2803 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4922 -19.4922 -19.3236 -19.3236 -19.3220 -19.3220 -19.3012 -19.3012 -19.2998 -19.2998 -2.9834 -2.9834 -2.9830 -2.9830 -0.3450 -0.3450 -0.3440 -0.3440 2.2739 2.2739 2.3103 2.3103 2.5428 2.5428 2.5791 2.5791 6.9185 6.9185 6.9278 6.9278 7.7487 7.7487 7.7593 7.7593 k = 0.4868 0.5000 0.2803 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4923 -19.4923 -19.3232 -19.3232 -19.3224 -19.3224 -19.3009 -19.3009 -19.3002 -19.3002 -2.9757 -2.9757 -2.9754 -2.9754 -0.3544 -0.3544 -0.3539 -0.3539 2.3344 2.3344 2.3690 2.3690 2.4755 2.4755 2.5101 2.5101 6.9349 6.9349 6.9398 6.9398 7.7478 7.7478 7.7535 7.7535 k = 0.5000 0.5000 0.2803 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9730 -2.9730 -2.9730 -2.9730 -0.3574 -0.3574 -0.3574 -0.3574 2.3915 2.3915 2.3915 2.3915 2.4502 2.4502 2.4502 2.4502 6.9423 6.9423 6.9423 6.9423 7.7490 7.7490 7.7490 7.7490 k = 0.5000 0.5000 0.2803 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9730 -2.9730 -2.9730 -2.9730 -0.3574 -0.3574 -0.3574 -0.3574 2.3915 2.3915 2.3915 2.3915 2.4502 2.4502 2.4502 2.4502 6.9423 6.9423 6.9423 6.9423 7.7490 7.7490 7.7490 7.7490 k = 0.4907 0.4907 0.2803 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3232 -19.3232 -19.3224 -19.3224 -19.3009 -19.3009 -19.3002 -19.3002 -2.9779 -2.9779 -2.9732 -2.9732 -0.3560 -0.3560 -0.3524 -0.3524 2.3206 2.3206 2.4077 2.4077 2.4375 2.4375 2.5232 2.5232 6.9349 6.9349 6.9398 6.9398 7.7478 7.7478 7.7538 7.7538 k = 0.4815 0.4815 0.2803 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4922 -19.4922 -19.3236 -19.3236 -19.3220 -19.3220 -19.3012 -19.3012 -19.2998 -19.2998 -2.9924 -2.9924 -2.9738 -2.9738 -0.3517 -0.3517 -0.3375 -0.3375 2.2338 2.2338 2.4155 2.4155 2.4403 2.4403 2.6160 2.6160 6.9180 6.9180 6.9276 6.9276 7.7499 7.7499 7.7623 7.7623 k = 0.4722 0.4722 0.2803 ( 8060 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4921 -19.4921 -19.3239 -19.3239 -19.3216 -19.3216 -19.3016 -19.3016 -19.2995 -19.2995 -3.0162 -3.0162 -2.9747 -2.9747 -0.3446 -0.3446 -0.3132 -0.3132 2.1473 2.1473 2.4269 2.4269 2.4468 2.4468 2.7125 2.7125 6.8923 6.8923 6.9065 6.9065 7.7551 7.7551 7.7745 7.7745 k = 0.4630 0.4630 0.2803 ( 8060 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4925 -19.4925 -19.4920 -19.4920 -19.3243 -19.3243 -19.3211 -19.3211 -19.3020 -19.3020 -19.2992 -19.2992 -3.0486 -3.0486 -2.9761 -2.9761 -0.3346 -0.3346 -0.2802 -0.2802 2.0628 2.0628 2.4424 2.4424 2.4563 2.4563 2.8108 2.8108 6.8588 6.8588 6.8776 6.8776 7.7630 7.7630 7.7901 7.7901 k = 0.4537 0.4537 0.2803 ( 8072 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4925 -19.4925 -19.4919 -19.4919 -19.3246 -19.3246 -19.3207 -19.3207 -19.3024 -19.3024 -19.2989 -19.2989 -3.0888 -3.0888 -2.9780 -2.9780 -0.3218 -0.3218 -0.2393 -0.2393 1.9811 1.9811 2.4612 2.4612 2.4694 2.4694 2.9101 2.9101 6.8185 6.8185 6.8427 6.8427 7.7737 7.7737 7.8088 7.8088 k = 0.4444 0.4444 0.2803 ( 8068 PWs) bands (ev): -47.4373 -47.4373 -47.4372 -47.4372 -19.4926 -19.4926 -19.4918 -19.4918 -19.3249 -19.3249 -19.3202 -19.3202 -19.3028 -19.3028 -19.2986 -19.2986 -3.1360 -3.1360 -2.9803 -2.9803 -0.3062 -0.3062 -0.1914 -0.1914 1.9024 1.9024 2.4796 2.4796 2.4900 2.4900 3.0100 3.0100 6.7725 6.7725 6.8034 6.8034 7.7869 7.7869 7.8304 7.8304 k = 0.4352 0.4352 0.2803 ( 8064 PWs) bands (ev): -47.4373 -47.4373 -47.4371 -47.4371 -19.4927 -19.4927 -19.4916 -19.4916 -19.3251 -19.3251 -19.3197 -19.3197 -19.3032 -19.3032 -19.2983 -19.2983 -3.1893 -3.1893 -2.9831 -2.9831 -0.2877 -0.2877 -0.1377 -0.1377 1.8270 1.8270 2.4975 2.4975 2.5181 2.5181 3.1099 3.1099 6.7220 6.7220 6.7614 6.7614 7.8026 7.8026 7.8545 7.8545 k = 0.4259 0.4259 0.2803 ( 8052 PWs) bands (ev): -47.4373 -47.4373 -47.4371 -47.4371 -19.4927 -19.4927 -19.4914 -19.4914 -19.3254 -19.3254 -19.3192 -19.3192 -19.3035 -19.3035 -19.2980 -19.2980 -3.2478 -3.2478 -2.9864 -2.9864 -0.2663 -0.2663 -0.0791 -0.0791 1.7551 1.7551 2.5174 2.5174 2.5512 2.5512 3.2093 3.2093 6.6685 6.6685 6.7182 6.7182 7.8208 7.8208 7.8809 7.8809 k = 0.4167 0.4167 0.2803 ( 8058 PWs) bands (ev): -47.4374 -47.4374 -47.4371 -47.4371 -19.4928 -19.4928 -19.4912 -19.4912 -19.3256 -19.3256 -19.3187 -19.3187 -19.3039 -19.3039 -19.2977 -19.2977 -3.3106 -3.3106 -2.9903 -2.9903 -0.2422 -0.2422 -0.0166 -0.0166 1.6870 1.6870 2.5398 2.5398 2.5885 2.5885 3.3077 3.3077 6.6132 6.6132 6.6752 6.6752 7.8414 7.8414 7.9096 7.9096 k = 0.4074 0.4074 0.2803 ( 8064 PWs) bands (ev): -47.4374 -47.4374 -47.4370 -47.4370 -19.4929 -19.4929 -19.4910 -19.4910 -19.3258 -19.3258 -19.3182 -19.3182 -19.3043 -19.3043 -19.2975 -19.2975 -3.3769 -3.3769 -2.9949 -2.9949 -0.2152 -0.2152 0.0489 0.0489 1.6228 1.6228 2.5646 2.5646 2.6301 2.6301 3.4045 3.4045 6.5576 6.5576 6.6335 6.6335 7.8644 7.8644 7.9405 7.9405 k = 0.3981 0.3981 0.2803 ( 8052 PWs) bands (ev): -47.4374 -47.4374 -47.4370 -47.4370 -19.4930 -19.4930 -19.4907 -19.4907 -19.3260 -19.3260 -19.3176 -19.3176 -19.3047 -19.3047 -19.2973 -19.2973 -3.4460 -3.4460 -3.0002 -3.0002 -0.1854 -0.1854 0.1164 0.1164 1.5626 1.5626 2.5921 2.5921 2.6755 2.6755 3.4991 3.4991 6.5029 6.5029 6.5941 6.5941 7.8898 7.8898 7.9735 7.9735 k = 0.3889 0.3889 0.2803 ( 8054 PWs) bands (ev): -47.4375 -47.4375 -47.4370 -47.4370 -19.4931 -19.4931 -19.4904 -19.4904 -19.3261 -19.3261 -19.3171 -19.3171 -19.3051 -19.3051 -19.2971 -19.2971 -3.5174 -3.5174 -3.0061 -3.0061 -0.1528 -0.1528 0.1852 0.1852 1.5067 1.5067 2.6221 2.6221 2.7247 2.7247 3.5906 3.5906 6.4506 6.4506 6.5582 6.5582 7.9176 7.9176 8.0087 8.0087 k = 0.3796 0.3796 0.2803 ( 8050 PWs) bands (ev): -47.4375 -47.4375 -47.4369 -47.4369 -19.4933 -19.4933 -19.4901 -19.4901 -19.3262 -19.3262 -19.3166 -19.3166 -19.3054 -19.3054 -19.2969 -19.2969 -3.5904 -3.5904 -3.0129 -3.0129 -0.1174 -0.1174 0.2547 0.2547 1.4552 1.4552 2.6546 2.6546 2.7773 2.7773 3.6784 3.6784 6.4020 6.4020 6.5264 6.5264 7.9477 7.9477 8.0460 8.0460 k = 0.3704 0.3704 0.2803 ( 8054 PWs) bands (ev): -47.4376 -47.4376 -47.4369 -47.4369 -19.4934 -19.4934 -19.4898 -19.4898 -19.3264 -19.3264 -19.3161 -19.3161 -19.3058 -19.3058 -19.2967 -19.2967 -3.6645 -3.6645 -3.0204 -3.0204 -0.0791 -0.0791 0.3242 0.3242 1.4082 1.4082 2.6898 2.6898 2.8332 2.8332 3.7613 3.7613 6.3583 6.3583 6.4998 6.4998 7.9801 7.9801 8.0856 8.0856 k = 0.3611 0.3611 0.2803 ( 8060 PWs) bands (ev): -47.4376 -47.4376 -47.4369 -47.4369 -19.4936 -19.4936 -19.4894 -19.4894 -19.3265 -19.3265 -19.3156 -19.3156 -19.3061 -19.3061 -19.2966 -19.2966 -3.7393 -3.7393 -3.0288 -3.0288 -0.0381 -0.0381 0.3930 0.3930 1.3658 1.3658 2.7275 2.7275 2.8919 2.8919 3.8385 3.8385 6.3208 6.3208 6.4792 6.4792 8.0147 8.0147 8.1273 8.1273 k = 0.3519 0.3519 0.2803 ( 8064 PWs) bands (ev): -47.4377 -47.4377 -47.4368 -47.4368 -19.4937 -19.4937 -19.4891 -19.4891 -19.3265 -19.3265 -19.3152 -19.3152 -19.3064 -19.3064 -19.2964 -19.2964 -3.8145 -3.8145 -3.0381 -3.0381 0.0056 0.0056 0.4609 0.4609 1.3281 1.3281 2.7677 2.7677 2.9531 2.9531 3.9089 3.9089 6.2908 6.2908 6.4652 6.4652 8.0516 8.0516 8.1712 8.1712 k = 0.3426 0.3426 0.2803 ( 8056 PWs) bands (ev): -47.4377 -47.4377 -47.4368 -47.4368 -19.4939 -19.4939 -19.4887 -19.4887 -19.3266 -19.3266 -19.3147 -19.3147 -19.3067 -19.3067 -19.2962 -19.2962 -3.8897 -3.8897 -3.0482 -3.0482 0.0522 0.0522 0.5273 0.5273 1.2953 1.2953 2.8104 2.8104 3.0164 3.0164 3.9716 3.9716 6.2695 6.2695 6.4587 6.4587 8.0907 8.0907 8.2174 8.2174 k = 0.3333 0.3333 0.2803 ( 8056 PWs) bands (ev): -47.4378 -47.4378 -47.4367 -47.4367 -19.4941 -19.4941 -19.4883 -19.4883 -19.3266 -19.3266 -19.3143 -19.3143 -19.3069 -19.3069 -19.2961 -19.2961 -3.9646 -3.9646 -3.0593 -3.0593 0.1015 0.1015 0.5919 0.5919 1.2674 1.2674 2.8557 2.8557 3.0814 3.0814 4.0255 4.0255 6.2581 6.2581 6.4604 6.4604 8.1319 8.1319 8.2657 8.2657 k = 0.3241 0.3241 0.2803 ( 8052 PWs) bands (ev): -47.4379 -47.4379 -47.4367 -47.4367 -19.4942 -19.4942 -19.4878 -19.4878 -19.3266 -19.3266 -19.3140 -19.3140 -19.3070 -19.3070 -19.2960 -19.2960 -4.0390 -4.0390 -3.0713 -3.0713 0.1535 0.1535 0.6544 0.6544 1.2445 1.2445 2.9034 2.9034 3.1477 3.1477 4.0699 4.0699 6.2573 6.2573 6.4709 6.4709 8.1752 8.1752 8.3162 8.3162 k = 0.3148 0.3148 0.2803 ( 8052 PWs) bands (ev): -47.4379 -47.4379 -47.4366 -47.4366 -19.4944 -19.4944 -19.4874 -19.4874 -19.3266 -19.3266 -19.3137 -19.3137 -19.3071 -19.3071 -19.2959 -19.2959 -4.1126 -4.1126 -3.0842 -3.0842 0.2083 0.2083 0.7145 0.7145 1.2266 1.2266 2.9536 2.9536 3.2148 3.2148 4.1043 4.1043 6.2679 6.2679 6.4908 6.4908 8.2204 8.2204 8.3689 8.3689 k = 0.3056 0.3056 0.2803 ( 8048 PWs) bands (ev): -47.4380 -47.4380 -47.4366 -47.4366 -19.4946 -19.4946 -19.4870 -19.4870 -19.3266 -19.3266 -19.3134 -19.3134 -19.3071 -19.3071 -19.2959 -19.2959 -4.1853 -4.1853 -3.0980 -3.0980 0.2658 0.2658 0.7720 0.7720 1.2137 1.2137 3.0063 3.0063 3.2824 3.2824 4.1285 4.1285 6.2900 6.2900 6.5206 6.5206 8.2676 8.2676 8.4237 8.4237 k = 0.2963 0.2963 0.2803 ( 8052 PWs) bands (ev): -47.4380 -47.4380 -47.4365 -47.4365 -19.4948 -19.4948 -19.4866 -19.4866 -19.3266 -19.3266 -19.3133 -19.3133 -19.3071 -19.3071 -19.2958 -19.2958 -4.2568 -4.2568 -3.1126 -3.1126 0.3259 0.3259 0.8268 0.8268 1.2058 1.2058 3.0614 3.0614 3.3502 3.3502 4.1426 4.1426 6.3235 6.3235 6.5607 6.5607 8.3164 8.3164 8.4805 8.4805 k = 0.2870 0.2870 0.2803 ( 8046 PWs) bands (ev): -47.4381 -47.4381 -47.4365 -47.4365 -19.4949 -19.4949 -19.4861 -19.4861 -19.3265 -19.3265 -19.3132 -19.3132 -19.3069 -19.3069 -19.2958 -19.2958 -4.3271 -4.3271 -3.1281 -3.1281 0.3888 0.3888 0.8787 0.8787 1.2030 1.2030 3.1189 3.1189 3.4178 3.4178 4.1473 4.1473 6.3680 6.3680 6.6115 6.6115 8.3668 8.3668 8.5393 8.5393 k = 0.2778 0.2778 0.2803 ( 8054 PWs) bands (ev): -47.4382 -47.4382 -47.4364 -47.4364 -19.4951 -19.4951 -19.4856 -19.4856 -19.3265 -19.3265 -19.3132 -19.3132 -19.3067 -19.3067 -19.2958 -19.2958 -4.3960 -4.3960 -3.1444 -3.1444 0.4542 0.4542 0.9275 0.9275 1.2052 1.2052 3.1787 3.1787 3.4851 3.4851 4.1433 4.1433 6.4226 6.4226 6.6731 6.6731 8.4182 8.4182 8.6000 8.6000 k = 0.2685 0.2685 0.2803 ( 8046 PWs) bands (ev): -47.4382 -47.4382 -47.4364 -47.4364 -19.4953 -19.4953 -19.4852 -19.4852 -19.3264 -19.3264 -19.3133 -19.3133 -19.3064 -19.3064 -19.2957 -19.2957 -4.4633 -4.4633 -3.1614 -3.1614 0.5223 0.5223 0.9733 0.9733 1.2123 1.2123 3.2409 3.2409 3.5519 3.5519 4.1316 4.1316 6.4865 6.4865 6.7456 6.7456 8.4701 8.4701 8.6624 8.6624 k = 0.2593 0.2593 0.2803 ( 8046 PWs) bands (ev): -47.4383 -47.4383 -47.4363 -47.4363 -19.4955 -19.4955 -19.4847 -19.4847 -19.3263 -19.3263 -19.3134 -19.3134 -19.3060 -19.3060 -19.2957 -19.2957 -4.5291 -4.5291 -3.1790 -3.1790 0.5930 0.5930 1.0159 1.0159 1.2243 1.2243 3.3053 3.3053 3.6183 3.6183 4.1132 4.1132 6.5586 6.5586 6.8290 6.8290 8.5209 8.5209 8.7264 8.7264 k = 0.2500 0.2500 0.2803 ( 8046 PWs) bands (ev): -47.4384 -47.4384 -47.4363 -47.4363 -19.4957 -19.4957 -19.4842 -19.4842 -19.3263 -19.3263 -19.3135 -19.3135 -19.3057 -19.3057 -19.2957 -19.2957 -4.5931 -4.5931 -3.1972 -3.1972 0.6662 0.6662 1.0554 1.0554 1.2412 1.2412 3.3720 3.3720 3.6844 3.6844 4.0893 4.0893 6.6379 6.6379 6.9231 6.9231 8.5663 8.5663 8.7916 8.7916 k = 0.2407 0.2407 0.2803 ( 8056 PWs) bands (ev): -47.4385 -47.4385 -47.4362 -47.4362 -19.4959 -19.4959 -19.4838 -19.4838 -19.3262 -19.3262 -19.3137 -19.3137 -19.3053 -19.3053 -19.2958 -19.2958 -4.6552 -4.6552 -3.2159 -3.2159 0.7419 0.7419 1.0917 1.0917 1.2627 1.2627 3.4408 3.4408 3.7502 3.7502 4.0609 4.0609 6.7233 6.7233 7.0276 7.0276 8.5900 8.5900 8.8570 8.8570 k = 0.2315 0.2315 0.2803 ( 8060 PWs) bands (ev): -47.4385 -47.4385 -47.4361 -47.4361 -19.4961 -19.4961 -19.4833 -19.4833 -19.3261 -19.3261 -19.3139 -19.3139 -19.3049 -19.3049 -19.2958 -19.2958 -4.7155 -4.7155 -3.2349 -3.2349 0.8200 0.8200 1.1248 1.1248 1.2889 1.2889 3.5117 3.5117 3.8159 3.8159 4.0290 4.0290 6.8139 6.8139 7.1421 7.1421 8.5362 8.5362 8.8043 8.8043 k = 0.2222 0.2222 0.2803 ( 8048 PWs) bands (ev): -47.4386 -47.4386 -47.4361 -47.4361 -19.4963 -19.4963 -19.4828 -19.4828 -19.3260 -19.3260 -19.3140 -19.3140 -19.3044 -19.3044 -19.2958 -19.2958 -4.7739 -4.7739 -3.2543 -3.2543 0.9006 0.9006 1.1549 1.1549 1.3196 1.3196 3.5844 3.5844 3.8812 3.8812 3.9950 3.9950 6.9089 6.9089 7.2661 7.2661 8.3850 8.3850 8.6164 8.6164 k = 0.2130 0.2130 0.2803 ( 8048 PWs) bands (ev): -47.4387 -47.4387 -47.4360 -47.4360 -19.4965 -19.4965 -19.4823 -19.4823 -19.3259 -19.3259 -19.3142 -19.3142 -19.3039 -19.3039 -19.2958 -19.2958 -4.8302 -4.8302 -3.2738 -3.2738 0.9833 0.9833 1.1821 1.1821 1.3547 1.3547 3.6586 3.6586 3.9392 3.9392 3.9671 3.9671 7.0074 7.0074 7.3992 7.3992 8.2005 8.2005 8.4249 8.4249 k = 0.2037 0.2037 0.2803 ( 8048 PWs) bands (ev): -47.4387 -47.4387 -47.4360 -47.4360 -19.4967 -19.4967 -19.4819 -19.4819 -19.3259 -19.3259 -19.3144 -19.3144 -19.3035 -19.3035 -19.2959 -19.2959 -4.8844 -4.8844 -3.2934 -3.2934 1.0681 1.0681 1.2066 1.2066 1.3939 1.3939 3.7332 3.7332 3.9183 3.9183 4.0187 4.0187 7.1087 7.1087 7.5408 7.5408 8.0085 8.0085 8.2365 8.2365 k = 0.1944 0.1944 0.2803 ( 8052 PWs) bands (ev): -47.4388 -47.4388 -47.4359 -47.4359 -19.4969 -19.4969 -19.4814 -19.4814 -19.3258 -19.3258 -19.3146 -19.3146 -19.3030 -19.3030 -19.2959 -19.2959 -4.9365 -4.9365 -3.3130 -3.3130 1.1539 1.1539 1.2296 1.2296 1.4373 1.4373 3.8015 3.8015 3.8896 3.8896 4.0860 4.0860 7.2116 7.2116 7.6902 7.6902 7.8156 7.8156 8.0524 8.0524 k = 0.1852 0.1852 0.2803 ( 8050 PWs) bands (ev): -47.4389 -47.4389 -47.4359 -47.4359 -19.4970 -19.4970 -19.4809 -19.4809 -19.3257 -19.3257 -19.3147 -19.3147 -19.3026 -19.3026 -19.2960 -19.2960 -4.9864 -4.9864 -3.3325 -3.3325 1.2288 1.2288 1.2629 1.2629 1.4845 1.4845 3.8156 3.8156 3.9153 3.9153 4.1551 4.1551 7.3138 7.3138 7.6240 7.6240 7.8464 7.8464 7.8757 7.8757 k = 0.1759 0.1759 0.2803 ( 8056 PWs) bands (ev): -47.4389 -47.4389 -47.4358 -47.4358 -19.4972 -19.4972 -19.4805 -19.4805 -19.3257 -19.3257 -19.3149 -19.3149 -19.3022 -19.3022 -19.2960 -19.2960 -5.0341 -5.0341 -3.3517 -3.3517 1.2565 1.2565 1.3430 1.3430 1.5356 1.5356 3.7823 3.7823 3.9893 3.9893 4.2255 4.2255 7.3983 7.3983 7.4435 7.4435 7.7124 7.7124 8.0106 8.0106 k = 0.1667 0.1667 0.2803 ( 8056 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4974 -19.4974 -19.4801 -19.4801 -19.3256 -19.3256 -19.3150 -19.3150 -19.3017 -19.3017 -19.2961 -19.2961 -5.0796 -5.0796 -3.3706 -3.3706 1.2718 1.2718 1.4350 1.4350 1.5902 1.5902 3.7425 3.7425 4.0709 4.0709 4.2974 4.2974 7.2435 7.2435 7.4338 7.4338 7.6271 7.6271 8.1800 8.1800 k = 0.1574 0.1574 0.2803 ( 8068 PWs) bands (ev): -47.4390 -47.4390 -47.4358 -47.4358 -19.4976 -19.4976 -19.4797 -19.4797 -19.3256 -19.3256 -19.3152 -19.3152 -19.3013 -19.3013 -19.2962 -19.2962 -5.1227 -5.1227 -3.3891 -3.3891 1.2838 1.2838 1.5298 1.5298 1.6483 1.6483 3.7012 3.7012 4.1551 4.1551 4.3705 4.3705 7.0595 7.0595 7.3114 7.3114 7.6930 7.6930 8.3547 8.3547 k = 0.1481 0.1481 0.2803 ( 8070 PWs) bands (ev): -47.4391 -47.4391 -47.4357 -47.4357 -19.4977 -19.4977 -19.4793 -19.4793 -19.3256 -19.3256 -19.3153 -19.3153 -19.3009 -19.3009 -19.2963 -19.2963 -5.1636 -5.1636 -3.4070 -3.4070 1.2936 1.2936 1.6263 1.6263 1.7098 1.7098 3.6593 3.6593 4.2408 4.2408 4.4450 4.4450 6.8781 6.8781 7.1575 7.1575 7.7974 7.7974 8.5338 8.5338 k = 0.1389 0.1389 0.2803 ( 8070 PWs) bands (ev): -47.4392 -47.4392 -47.4357 -47.4357 -19.4979 -19.4979 -19.4789 -19.4789 -19.3255 -19.3255 -19.3154 -19.3154 -19.3006 -19.3006 -19.2963 -19.2963 -5.2021 -5.2021 -3.4243 -3.4243 1.3014 1.3014 1.7233 1.7233 1.7753 1.7753 3.6172 3.6172 4.3276 4.3276 4.5206 4.5206 6.7000 6.7000 7.0028 7.0028 7.9094 7.9094 8.7162 8.7162 k = 0.1296 0.1296 0.2803 ( 8058 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4980 -19.4980 -19.4785 -19.4785 -19.3255 -19.3255 -19.3155 -19.3155 -19.3002 -19.3002 -19.2963 -19.2963 -5.2382 -5.2382 -3.4410 -3.4410 1.3077 1.3077 1.8173 1.8173 1.8477 1.8477 3.5749 3.5749 4.4149 4.4149 4.5971 4.5971 6.5255 6.5255 6.8521 6.8521 8.0244 8.0244 8.8991 8.8991 k = 0.1204 0.1204 0.2803 ( 8048 PWs) bands (ev): -47.4392 -47.4392 -47.4356 -47.4356 -19.4981 -19.4981 -19.4781 -19.4781 -19.3254 -19.3254 -19.3155 -19.3155 -19.2998 -19.2998 -19.2964 -19.2964 -5.2719 -5.2719 -3.4568 -3.4568 1.3125 1.3125 1.8988 1.8988 1.9360 1.9360 3.5324 3.5324 4.5024 4.5024 4.6743 4.6743 6.3551 6.3551 6.7069 6.7069 8.1410 8.1410 8.8307 8.8307 k = 0.1111 0.1111 0.2803 ( 8052 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4982 -19.4982 -19.4778 -19.4778 -19.3255 -19.3255 -19.3156 -19.3156 -19.2995 -19.2995 -19.2964 -19.2964 -5.3032 -5.3032 -3.4718 -3.4718 1.3162 1.3162 1.9729 1.9729 2.0344 2.0344 3.4897 3.4897 4.5896 4.5896 4.7519 4.7519 6.1890 6.1890 6.5681 6.5681 8.2584 8.2584 8.6912 8.6912 k = 0.1019 0.1019 0.2803 ( 8044 PWs) bands (ev): -47.4393 -47.4393 -47.4355 -47.4355 -19.4983 -19.4983 -19.4774 -19.4774 -19.3254 -19.3254 -19.3156 -19.3156 -19.2992 -19.2992 -19.2965 -19.2965 -5.3320 -5.3320 -3.4858 -3.4858 1.3188 1.3188 2.0465 2.0465 2.1352 2.1352 3.4465 3.4465 4.6759 4.6759 4.8293 4.8293 6.0279 6.0279 6.4364 6.4364 8.3754 8.3754 8.5566 8.5566 k = 0.0926 0.0926 0.2803 ( 8050 PWs) bands (ev): -47.4394 -47.4394 -47.4355 -47.4355 -19.4984 -19.4984 -19.4772 -19.4772 -19.3254 -19.3254 -19.3157 -19.3157 -19.2990 -19.2990 -19.2965 -19.2965 -5.3584 -5.3584 -3.4989 -3.4989 1.3207 1.3207 2.1210 2.1210 2.2361 2.2361 3.4028 3.4028 4.7606 4.7606 4.9060 4.9060 5.8723 5.8723 6.3125 6.3125 8.4178 8.4178 8.5014 8.5014 k = 0.0833 0.0833 0.2803 ( 8048 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4985 -19.4985 -19.4769 -19.4769 -19.3254 -19.3254 -19.3157 -19.3157 -19.2988 -19.2988 -19.2966 -19.2966 -5.3824 -5.3824 -3.5108 -3.5108 1.3218 1.3218 2.1963 2.1963 2.3362 2.3362 3.3582 3.3582 4.8429 4.8429 4.9814 4.9814 5.7229 5.7229 6.1972 6.1972 8.2964 8.2964 8.6129 8.6129 k = 0.0741 0.0741 0.2803 ( 8056 PWs) bands (ev): -47.4394 -47.4394 -47.4354 -47.4354 -19.4986 -19.4986 -19.4767 -19.4767 -19.3255 -19.3255 -19.3157 -19.3157 -19.2986 -19.2986 -19.2966 -19.2966 -5.4038 -5.4038 -3.5217 -3.5217 1.3224 1.3224 2.2721 2.2721 2.4343 2.4343 3.3126 3.3126 4.9217 4.9217 5.0547 5.0547 5.5807 5.5807 6.0911 6.0911 8.1782 8.1782 8.6388 8.6388 k = 0.0648 0.0648 0.2803 ( 8054 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4765 -19.4765 -19.3255 -19.3255 -19.3157 -19.3157 -19.2984 -19.2984 -19.2966 -19.2966 -5.4228 -5.4228 -3.5314 -3.5314 1.3226 1.3226 2.3482 2.3482 2.5293 2.5293 3.2656 3.2656 4.9961 4.9961 5.1249 5.1249 5.4468 5.4468 5.9950 5.9950 8.0675 8.0675 8.5479 8.5479 k = 0.0556 0.0556 0.2803 ( 8046 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4987 -19.4987 -19.4763 -19.4763 -19.3254 -19.3254 -19.3157 -19.3157 -19.2982 -19.2982 -19.2966 -19.2966 -5.4392 -5.4392 -3.5399 -3.5399 1.3226 1.3226 2.4239 2.4239 2.6194 2.6194 3.2171 3.2171 5.0647 5.0647 5.1908 5.1908 5.3229 5.3229 5.9096 5.9096 7.9660 7.9660 8.4602 8.4602 k = 0.0463 0.0463 0.2803 ( 8038 PWs) bands (ev): -47.4395 -47.4395 -47.4354 -47.4354 -19.4988 -19.4988 -19.4761 -19.4761 -19.3254 -19.3254 -19.3157 -19.3157 -19.2981 -19.2981 -19.2966 -19.2966 -5.4531 -5.4531 -3.5471 -3.5471 1.3224 1.3224 2.4989 2.4989 2.7028 2.7028 3.1668 3.1668 5.1260 5.1260 5.2108 5.2108 5.2512 5.2512 5.8358 5.8358 7.8753 7.8753 8.3816 8.3816 k = 0.0370 0.0370 0.2803 ( 8042 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4760 -19.4760 -19.3254 -19.3254 -19.3157 -19.3157 -19.2980 -19.2980 -19.2966 -19.2966 -5.4645 -5.4645 -3.5531 -3.5531 1.3221 1.3221 2.5724 2.5724 2.7770 2.7770 3.1148 3.1148 5.1130 5.1130 5.1789 5.1789 5.3042 5.3042 5.7742 5.7742 7.7973 7.7973 8.3142 8.3142 k = 0.0278 0.0278 0.2803 ( 8026 PWs) bands (ev): -47.4395 -47.4395 -47.4353 -47.4353 -19.4988 -19.4988 -19.4759 -19.4759 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4734 -5.4734 -3.5578 -3.5578 1.3218 1.3218 2.6436 2.6436 2.8390 2.8390 3.0615 3.0615 5.0322 5.0322 5.2216 5.2216 5.3481 5.3481 5.7255 5.7255 7.7338 7.7338 8.2598 8.2598 k = 0.0185 0.0185 0.2803 ( 8040 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3254 -19.3254 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4798 -5.4798 -3.5611 -3.5611 1.3215 1.3215 2.7110 2.7110 2.8849 2.8849 3.0089 3.0089 4.9714 4.9714 5.2532 5.2532 5.3812 5.3812 5.6903 5.6903 7.6868 7.6868 8.2197 8.2197 k = 0.0093 0.0093 0.2803 ( 8052 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4836 -5.4836 -3.5632 -3.5632 1.3214 1.3214 2.7699 2.7699 2.9071 2.9071 2.9657 2.9657 4.9335 4.9335 5.2725 5.2725 5.4018 5.4018 5.6690 5.6690 7.6578 7.6578 8.1952 8.1952 k = 0.0000 0.0000 0.2803 ( 8052 PWs) bands (ev): -47.4396 -47.4396 -47.4353 -47.4353 -19.4989 -19.4989 -19.4758 -19.4758 -19.3255 -19.3255 -19.3157 -19.3157 -19.2979 -19.2979 -19.2966 -19.2966 -5.4848 -5.4848 -3.5638 -3.5638 1.3213 1.3213 2.7999 2.7999 2.9026 2.9026 2.9531 2.9531 4.9207 4.9207 5.2791 5.2791 5.4088 5.4088 5.6619 5.6619 7.6480 7.6480 8.1869 8.1869 k = 0.0000 0.5000-0.0000 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9293 -3.9293 -3.9293 -3.9293 0.1594 0.1594 0.1594 0.1594 2.9413 2.9413 2.9413 2.9413 4.4827 4.4827 4.4828 4.4828 6.8694 6.8694 6.8694 6.8694 8.5823 8.5823 8.5823 8.5823 k = 0.0000 0.5000 0.0127 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9292 -3.9292 -3.9292 -3.9292 0.1580 0.1580 0.1580 0.1580 2.9452 2.9452 2.9452 2.9452 4.4828 4.4828 4.4828 4.4828 6.8683 6.8683 6.8683 6.8683 8.5495 8.5495 8.5495 8.5495 k = 0.0000 0.5000 0.0255 ( 8036 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9289 -3.9289 -3.9289 -3.9289 0.1537 0.1537 0.1537 0.1537 2.9567 2.9567 2.9567 2.9567 4.4829 4.4829 4.4829 4.4829 6.8651 6.8651 6.8651 6.8651 8.4661 8.4661 8.4661 8.4661 k = 0.0000 0.5000 0.0382 ( 8036 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9284 -3.9284 -3.9284 -3.9284 0.1469 0.1469 0.1469 0.1469 2.9757 2.9757 2.9757 2.9757 4.4831 4.4832 4.4832 4.4832 6.8596 6.8596 6.8596 6.8596 8.3561 8.3561 8.3561 8.3561 k = 0.0000 0.5000 0.0510 ( 8034 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9277 -3.9277 -3.9277 -3.9277 0.1375 0.1375 0.1375 0.1375 3.0019 3.0019 3.0019 3.0019 4.4835 4.4835 4.4835 4.4835 6.8512 6.8512 6.8512 6.8512 8.2349 8.2349 8.2349 8.2349 k = 0.0000 0.5000 0.0637 ( 8034 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9268 -3.9268 -3.9268 -3.9268 0.1260 0.1260 0.1260 0.1260 3.0350 3.0350 3.0350 3.0350 4.4838 4.4838 4.4839 4.4839 6.8394 6.8394 6.8394 6.8394 8.1105 8.1105 8.1105 8.1105 k = 0.0000 0.5000 0.0765 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9258 -3.9258 -3.9258 -3.9258 0.1126 0.1126 0.1126 0.1126 3.0745 3.0745 3.0745 3.0745 4.4843 4.4843 4.4843 4.4843 6.8233 6.8233 6.8233 6.8233 7.9875 7.9875 7.9875 7.9875 k = 0.0000 0.5000 0.0892 ( 8022 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2996 -19.2996 -19.2996 -19.2996 -3.9246 -3.9246 -3.9246 -3.9246 0.0976 0.0976 0.0976 0.0976 3.1198 3.1198 3.1198 3.1198 4.4848 4.4848 4.4848 4.4848 6.8019 6.8019 6.8019 6.8019 7.8694 7.8694 7.8694 7.8694 k = 0.0000 0.5000 0.1019 ( 8018 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2996 -19.2996 -19.2996 -19.2996 -3.9233 -3.9233 -3.9233 -3.9233 0.0815 0.0815 0.0815 0.0815 3.1704 3.1704 3.1704 3.1704 4.4854 4.4854 4.4854 4.4854 6.7738 6.7738 6.7738 6.7738 7.7588 7.7588 7.7588 7.7588 k = 0.0000 0.5000 0.1147 ( 8040 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9219 -3.9219 -3.9219 -3.9219 0.0647 0.0647 0.0647 0.0647 3.2255 3.2255 3.2255 3.2255 4.4860 4.4860 4.4861 4.4861 6.7377 6.7377 6.7377 6.7377 7.6583 7.6583 7.6583 7.6583 k = 0.0000 0.5000 0.1274 ( 8030 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9204 -3.9204 -3.9204 -3.9204 0.0474 0.0474 0.0474 0.0474 3.2845 3.2845 3.2845 3.2845 4.4867 4.4867 4.4867 4.4867 6.6923 6.6923 6.6923 6.6923 7.5698 7.5698 7.5699 7.5699 k = 0.0000 0.5000 0.1402 ( 8022 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2996 -19.2996 -19.2996 -19.2996 -3.9189 -3.9189 -3.9189 -3.9189 0.0301 0.0301 0.0301 0.0301 3.3464 3.3464 3.3465 3.3465 4.4874 4.4874 4.4874 4.4874 6.6372 6.6372 6.6372 6.6372 7.4948 7.4948 7.4948 7.4948 k = 0.0000 0.5000 0.1529 ( 8026 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9174 -3.9174 -3.9174 -3.9174 0.0131 0.0131 0.0131 0.0131 3.4105 3.4105 3.4105 3.4105 4.4882 4.4882 4.4882 4.4882 6.5730 6.5730 6.5730 6.5730 7.4333 7.4333 7.4333 7.4333 k = 0.0000 0.5000 0.1656 ( 8034 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9160 -3.9160 -3.9160 -3.9160 -0.0033 -0.0033 -0.0033 -0.0033 3.4756 3.4756 3.4756 3.4756 4.4889 4.4889 4.4889 4.4889 6.5015 6.5015 6.5015 6.5015 7.3845 7.3845 7.3845 7.3845 k = 0.0000 0.5000 0.1784 ( 8030 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2997 -19.2997 -19.2997 -19.2997 -3.9146 -3.9146 -3.9146 -3.9146 -0.0187 -0.0187 -0.0187 -0.0187 3.5405 3.5405 3.5405 3.5405 4.4897 4.4897 4.4897 4.4897 6.4254 6.4254 6.4254 6.4254 7.3467 7.3467 7.3467 7.3467 k = 0.0000 0.5000 0.1911 ( 8014 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2996 -19.2996 -19.2996 -19.2996 -3.9133 -3.9133 -3.9132 -3.9132 -0.0329 -0.0329 -0.0329 -0.0329 3.6040 3.6040 3.6040 3.6040 4.4904 4.4904 4.4904 4.4904 6.3478 6.3478 6.3478 6.3478 7.3180 7.3180 7.3180 7.3180 k = 0.0000 0.5000 0.2039 ( 8018 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3207 -19.3207 -19.3207 -19.3207 -19.2996 -19.2996 -19.2996 -19.2996 -3.9120 -3.9120 -3.9120 -3.9120 -0.0457 -0.0457 -0.0457 -0.0457 3.6646 3.6646 3.6646 3.6646 4.4912 4.4912 4.4912 4.4912 6.2720 6.2720 6.2720 6.2720 7.2964 7.2964 7.2964 7.2964 k = 0.0000 0.5000 0.2166 ( 8030 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9110 -3.9110 -3.9110 -3.9110 -0.0569 -0.0569 -0.0569 -0.0569 3.7206 3.7206 3.7206 3.7206 4.4919 4.4919 4.4919 4.4919 6.2010 6.2010 6.2010 6.2010 7.2805 7.2805 7.2805 7.2805 k = 0.0000 0.5000 0.2294 ( 8030 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9101 -3.9101 -3.9101 -3.9101 -0.0663 -0.0663 -0.0663 -0.0663 3.7702 3.7702 3.7702 3.7702 4.4925 4.4925 4.4925 4.4925 6.1379 6.1379 6.1379 6.1379 7.2688 7.2688 7.2688 7.2688 k = 0.0000 0.5000 0.2421 ( 8038 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2997 -19.2997 -19.2997 -19.2997 -3.9093 -3.9093 -3.9093 -3.9093 -0.0737 -0.0737 -0.0737 -0.0737 3.8114 3.8114 3.8114 3.8114 4.4931 4.4931 4.4931 4.4931 6.0853 6.0853 6.0853 6.0853 7.2606 7.2606 7.2606 7.2606 k = 0.0000 0.5000 0.2548 ( 8034 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9088 -3.9088 -3.9088 -3.9088 -0.0791 -0.0791 -0.0791 -0.0791 3.8425 3.8425 3.8425 3.8425 4.4935 4.4935 4.4935 4.4935 6.0457 6.0457 6.0457 6.0457 7.2552 7.2552 7.2552 7.2552 k = 0.0000 0.5000 0.2676 ( 8032 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9085 -3.9085 -3.9085 -3.9085 -0.0823 -0.0823 -0.0823 -0.0823 3.8618 3.8618 3.8618 3.8618 4.4938 4.4938 4.4938 4.4938 6.0211 6.0211 6.0211 6.0211 7.2521 7.2521 7.2521 7.2521 k = 0.0000 0.5000 0.2803 ( 8028 PWs) bands (ev): -47.4373 -47.4373 -47.4373 -47.4373 -19.4902 -19.4902 -19.4902 -19.4902 -19.3208 -19.3208 -19.3208 -19.3208 -19.2996 -19.2996 -19.2996 -19.2996 -3.9084 -3.9084 -3.9084 -3.9084 -0.0834 -0.0834 -0.0834 -0.0834 3.8684 3.8684 3.8684 3.8684 4.4939 4.4939 4.4939 4.4939 6.0128 6.0128 6.0128 6.0128 7.2510 7.2510 7.2511 7.2511 k = 0.5000 0.5000-0.0000 ( 8100 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9831 -2.9831 -2.9831 -2.9831 -0.3888 -0.3888 -0.3888 -0.3888 2.5816 2.5816 2.5816 2.5816 2.6797 2.6797 2.6797 2.6797 6.0460 6.0460 6.0460 6.0460 6.0779 6.0779 6.0779 6.0779 k = 0.5000 0.5000 0.0127 ( 8096 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9831 -2.9831 -2.9831 -2.9831 -0.3886 -0.3886 -0.3886 -0.3886 2.5806 2.5806 2.5806 2.5806 2.6784 2.6784 2.6784 2.6784 6.0499 6.0499 6.0499 6.0499 6.0823 6.0823 6.0824 6.0824 k = 0.5000 0.5000 0.0255 ( 8104 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9829 -2.9829 -2.9829 -2.9829 -0.3881 -0.3881 -0.3881 -0.3881 2.5774 2.5774 2.5774 2.5774 2.6745 2.6745 2.6745 2.6745 6.0614 6.0614 6.0614 6.0614 6.0957 6.0957 6.0958 6.0958 k = 0.5000 0.5000 0.0382 ( 8096 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9827 -2.9827 -2.9827 -2.9827 -0.3874 -0.3874 -0.3874 -0.3874 2.5723 2.5723 2.5723 2.5723 2.6681 2.6681 2.6681 2.6681 6.0802 6.0802 6.0802 6.0802 6.1182 6.1182 6.1182 6.1182 k = 0.5000 0.5000 0.0510 ( 8100 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9823 -2.9823 -2.9823 -2.9823 -0.3863 -0.3863 -0.3863 -0.3863 2.5653 2.5653 2.5653 2.5653 2.6594 2.6594 2.6594 2.6594 6.1059 6.1059 6.1059 6.1059 6.1496 6.1496 6.1496 6.1496 k = 0.5000 0.5000 0.0637 ( 8076 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9819 -2.9819 -2.9819 -2.9819 -0.3850 -0.3850 -0.3850 -0.3850 2.5567 2.5567 2.5567 2.5567 2.6486 2.6486 2.6486 2.6486 6.1382 6.1382 6.1382 6.1382 6.1899 6.1899 6.1899 6.1899 k = 0.5000 0.5000 0.0765 ( 8108 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9814 -2.9814 -2.9814 -2.9814 -0.3835 -0.3835 -0.3835 -0.3835 2.5466 2.5466 2.5466 2.5466 2.6360 2.6360 2.6360 2.6360 6.1764 6.1764 6.1764 6.1764 6.2389 6.2389 6.2389 6.2389 k = 0.5000 0.5000 0.0892 ( 8108 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4924 -19.4924 -19.4924 -19.4924 -19.3229 -19.3229 -19.3229 -19.3229 -19.3006 -19.3006 -19.3006 -19.3006 -2.9808 -2.9808 -2.9808 -2.9808 -0.3817 -0.3817 -0.3817 -0.3817 2.5352 2.5352 2.5352 2.5352 2.6219 2.6219 2.6219 2.6219 6.2202 6.2202 6.2202 6.2202 6.2963 6.2963 6.2964 6.2964 k = 0.5000 0.5000 0.1019 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9802 -2.9802 -2.9802 -2.9802 -0.3798 -0.3798 -0.3798 -0.3798 2.5229 2.5229 2.5229 2.5229 2.6067 2.6067 2.6068 2.6068 6.2690 6.2690 6.2690 6.2690 6.3618 6.3618 6.3618 6.3618 k = 0.5000 0.5000 0.1147 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9795 -2.9795 -2.9795 -2.9795 -0.3777 -0.3777 -0.3777 -0.3777 2.5099 2.5099 2.5099 2.5099 2.5908 2.5908 2.5908 2.5908 6.3223 6.3223 6.3223 6.3223 6.4348 6.4348 6.4348 6.4348 k = 0.5000 0.5000 0.1274 ( 8048 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9788 -2.9788 -2.9788 -2.9788 -0.3755 -0.3755 -0.3755 -0.3755 2.4965 2.4965 2.4965 2.4965 2.5745 2.5745 2.5745 2.5745 6.3793 6.3793 6.3793 6.3793 6.5150 6.5150 6.5150 6.5150 k = 0.5000 0.5000 0.1402 ( 8052 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9781 -2.9781 -2.9781 -2.9781 -0.3733 -0.3733 -0.3733 -0.3733 2.4830 2.4830 2.4830 2.4830 2.5581 2.5581 2.5581 2.5581 6.4393 6.4393 6.4393 6.4393 6.6021 6.6021 6.6021 6.6021 k = 0.5000 0.5000 0.1529 ( 8052 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9773 -2.9773 -2.9773 -2.9773 -0.3711 -0.3711 -0.3711 -0.3711 2.4696 2.4696 2.4696 2.4696 2.5419 2.5419 2.5419 2.5419 6.5013 6.5013 6.5013 6.5013 6.6955 6.6955 6.6955 6.6955 k = 0.5000 0.5000 0.1656 ( 8060 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9766 -2.9766 -2.9766 -2.9766 -0.3689 -0.3689 -0.3689 -0.3689 2.4566 2.4566 2.4566 2.4566 2.5264 2.5264 2.5264 2.5264 6.5643 6.5643 6.5643 6.5643 6.7950 6.7950 6.7950 6.7950 k = 0.5000 0.5000 0.1784 ( 8076 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9760 -2.9760 -2.9760 -2.9760 -0.3668 -0.3668 -0.3668 -0.3668 2.4443 2.4443 2.4443 2.4443 2.5117 2.5117 2.5117 2.5117 6.6272 6.6272 6.6272 6.6272 6.9001 6.9001 6.9001 6.9001 k = 0.5000 0.5000 0.1911 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9753 -2.9753 -2.9753 -2.9753 -0.3648 -0.3648 -0.3648 -0.3648 2.4328 2.4328 2.4328 2.4328 2.4982 2.4982 2.4982 2.4982 6.6887 6.6887 6.6887 6.6887 7.0103 7.0103 7.0103 7.0103 k = 0.5000 0.5000 0.2039 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9747 -2.9747 -2.9747 -2.9747 -0.3629 -0.3629 -0.3629 -0.3629 2.4224 2.4224 2.4224 2.4224 2.4860 2.4860 2.4860 2.4860 6.7472 6.7472 6.7472 6.7472 7.1251 7.1251 7.1251 7.1251 k = 0.5000 0.5000 0.2166 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9742 -2.9742 -2.9742 -2.9742 -0.3613 -0.3613 -0.3613 -0.3613 2.4133 2.4133 2.4133 2.4133 2.4754 2.4754 2.4754 2.4754 6.8011 6.8011 6.8011 6.8011 7.2437 7.2437 7.2437 7.2437 k = 0.5000 0.5000 0.2294 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9738 -2.9738 -2.9738 -2.9738 -0.3600 -0.3600 -0.3600 -0.3600 2.4057 2.4057 2.4057 2.4057 2.4665 2.4665 2.4665 2.4665 6.8486 6.8486 6.8486 6.8486 7.3651 7.3651 7.3651 7.3651 k = 0.5000 0.5000 0.2421 ( 8064 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9734 -2.9734 -2.9734 -2.9734 -0.3589 -0.3589 -0.3589 -0.3589 2.3996 2.3996 2.3996 2.3996 2.4594 2.4594 2.4594 2.4594 6.8880 6.8880 6.8880 6.8880 7.4871 7.4871 7.4871 7.4871 k = 0.5000 0.5000 0.2548 ( 8056 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3228 -19.3228 -19.3228 -19.3228 -19.3005 -19.3005 -19.3005 -19.3005 -2.9732 -2.9732 -2.9732 -2.9732 -0.3580 -0.3580 -0.3580 -0.3580 2.3951 2.3951 2.3951 2.3951 2.4543 2.4543 2.4543 2.4543 6.9176 6.9176 6.9176 6.9176 7.6048 7.6048 7.6048 7.6048 k = 0.5000 0.5000 0.2676 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9730 -2.9730 -2.9730 -2.9730 -0.3576 -0.3576 -0.3576 -0.3576 2.3924 2.3924 2.3924 2.3924 2.4512 2.4512 2.4512 2.4512 6.9360 6.9360 6.9360 6.9360 7.7043 7.7043 7.7043 7.7043 k = 0.5000 0.5000 0.2803 ( 8072 PWs) bands (ev): -47.4372 -47.4372 -47.4372 -47.4372 -19.4923 -19.4923 -19.4923 -19.4923 -19.3229 -19.3229 -19.3229 -19.3229 -19.3005 -19.3005 -19.3005 -19.3005 -2.9730 -2.9730 -2.9730 -2.9730 -0.3574 -0.3574 -0.3574 -0.3574 2.3915 2.3915 2.3915 2.3915 2.4502 2.4502 2.4502 2.4502 6.9423 6.9423 6.9423 6.9423 7.7490 7.7490 7.7490 7.7490 Writing output data file NaAlGe.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 143.84s CPU 145.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 143.83s CPU 145.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 335 calls) cegterg : 126.36s CPU 127.68s WALL ( 356 calls) Called by sum_band: Called by *egterg: h_psi : 94.60s CPU 95.69s WALL ( 5700 calls) s_psi : 3.49s CPU 3.51s WALL ( 5700 calls) g_psi : 0.28s CPU 0.30s WALL ( 5009 calls) cdiaghg : 26.15s CPU 26.58s WALL ( 5344 calls) cegterg:over : 5.28s CPU 5.21s WALL ( 5009 calls) cegterg:upda : 4.80s CPU 4.93s WALL ( 5009 calls) cegterg:last : 2.69s CPU 2.78s WALL ( 1026 calls) cdiaghg:chol : 1.44s CPU 1.57s WALL ( 5344 calls) cdiaghg:inve : 0.82s CPU 0.81s WALL ( 5344 calls) cdiaghg:para : 1.65s CPU 1.53s WALL ( 10688 calls) Called by h_psi: h_psi:vloc : 86.22s CPU 87.07s WALL ( 5700 calls) h_psi:vnl : 8.10s CPU 8.35s WALL ( 5700 calls) add_vuspsi : 3.90s CPU 4.05s WALL ( 5700 calls) General routines calbec : 4.19s CPU 4.28s WALL ( 5700 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 81.86s CPU 82.72s WALL ( 536712 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.30s WALL ( 670 calls) Parallel routines fft_scatter : 26.32s CPU 26.24s WALL ( 536735 calls) PWSCF : 2m42.91s CPU 2m59.96s WALL This run was terminated on: 19:29:27 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=