Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:15:32 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: ./BaxAlSix2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 32 9 1975 1718 263 Max 36 33 10 1982 1734 269 Sum 1261 1159 331 71233 62091 9541 bravais-lattice index = 14 lattice parameter (alat) = 11.0413 a.u. unit-cell volume = 1573.7460 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.041271 celldm(2)= 1.000000 celldm(3)= 1.729653 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.736942 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.736942 0.675956 0.000000 ) a(3) = ( 0.000000 0.000000 1.729653 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.090222 -0.000000 ) b(2) = ( 0.000000 1.479386 -0.000000 ) b(3) = ( 0.000000 0.000000 0.578151 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Al 3.00 26.98150 Al( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8648267 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8648267 ) 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0066945 0.0172022 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0133889 0.0344043 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0200834 0.0516065 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0267779 0.0688087 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0334723 0.0860108 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0401668 0.1032130 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0468613 0.1204152 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0535558 0.1376173 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0602502 0.1548195 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0669447 0.1720217 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0736392 0.1892238 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0803336 0.2064260 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0870281 0.2236282 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0937226 0.2408303 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1004171 0.2580325 -0.0000000), wk = 0.0031646 k( 17) = ( 0.1071115 0.2752347 -0.0000000), wk = 0.0031646 k( 18) = ( 0.1138060 0.2924368 -0.0000000), wk = 0.0031646 k( 19) = ( 0.1205005 0.3096390 -0.0000000), wk = 0.0031646 k( 20) = ( 0.1271949 0.3268412 -0.0000000), wk = 0.0031646 k( 21) = ( 0.1338894 0.3440433 -0.0000000), wk = 0.0031646 k( 22) = ( 0.1405839 0.3612455 -0.0000000), wk = 0.0031646 k( 23) = ( 0.1472784 0.3784477 -0.0000000), wk = 0.0031646 k( 24) = ( 0.1539728 0.3956498 -0.0000000), wk = 0.0031646 k( 25) = ( 0.1606673 0.4128520 -0.0000000), wk = 0.0031646 k( 26) = ( 0.1673618 0.4300542 -0.0000000), wk = 0.0031646 k( 27) = ( 0.1740562 0.4472563 -0.0000000), wk = 0.0031646 k( 28) = ( 0.1807507 0.4644585 -0.0000000), wk = 0.0031646 k( 29) = ( 0.1874452 0.4816607 -0.0000000), wk = 0.0031646 k( 30) = ( 0.1941396 0.4988628 -0.0000000), wk = 0.0031646 k( 31) = ( 0.2008341 0.5160650 -0.0000000), wk = 0.0031646 k( 32) = ( 0.2075286 0.5332672 -0.0000000), wk = 0.0031646 k( 33) = ( 0.2142230 0.5504693 -0.0000000), wk = 0.0031646 k( 34) = ( 0.2209175 0.5676715 -0.0000000), wk = 0.0031646 k( 35) = ( 0.2276120 0.5848737 -0.0000000), wk = 0.0031646 k( 36) = ( 0.2343065 0.6020758 -0.0000000), wk = 0.0031646 k( 37) = ( 0.2410009 0.6192780 -0.0000000), wk = 0.0031646 k( 38) = ( 0.2476954 0.6364802 -0.0000000), wk = 0.0031646 k( 39) = ( 0.2543899 0.6536823 -0.0000000), wk = 0.0031646 k( 40) = ( 0.2610844 0.6708845 -0.0000000), wk = 0.0031646 k( 41) = ( 0.2677788 0.6880867 -0.0000000), wk = 0.0031646 k( 42) = ( 0.2744733 0.7052888 -0.0000000), wk = 0.0031646 k( 43) = ( 0.2811678 0.7224910 -0.0000000), wk = 0.0031646 k( 44) = ( 0.2878622 0.7396932 -0.0000000), wk = 0.0031646 k( 45) = ( 0.2878622 0.7396932 -0.0000000), wk = 0.0031646 k( 46) = ( 0.2698708 0.7396932 -0.0000000), wk = 0.0031646 k( 47) = ( 0.2518795 0.7396932 -0.0000000), wk = 0.0031646 k( 48) = ( 0.2338881 0.7396932 -0.0000000), wk = 0.0031646 k( 49) = ( 0.2158967 0.7396932 -0.0000000), wk = 0.0031646 k( 50) = ( 0.1979053 0.7396932 -0.0000000), wk = 0.0031646 k( 51) = ( 0.1799139 0.7396932 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1619225 0.7396932 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1439311 0.7396932 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1259397 0.7396932 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1079483 0.7396932 -0.0000000), wk = 0.0031646 k( 56) = ( 0.0899569 0.7396932 -0.0000000), wk = 0.0031646 k( 57) = ( 0.0719656 0.7396932 -0.0000000), wk = 0.0031646 k( 58) = ( 0.0539742 0.7396932 -0.0000000), wk = 0.0031646 k( 59) = ( 0.0359828 0.7396932 -0.0000000), wk = 0.0031646 k( 60) = ( 0.0179914 0.7396932 -0.0000000), wk = 0.0031646 k( 61) = ( 0.0000000 0.7396932 -0.0000000), wk = 0.0031646 k( 62) = ( 0.0000000 0.7396932 -0.0000000), wk = 0.0031646 k( 63) = ( 0.0000000 0.7396932 0.0180672), wk = 0.0031646 k( 64) = ( 0.0000000 0.7396932 0.0361344), wk = 0.0031646 k( 65) = ( 0.0000000 0.7396932 0.0542016), wk = 0.0031646 k( 66) = ( 0.0000000 0.7396932 0.0722688), wk = 0.0031646 k( 67) = ( 0.0000000 0.7396932 0.0903360), wk = 0.0031646 k( 68) = ( 0.0000000 0.7396932 0.1084032), wk = 0.0031646 k( 69) = ( 0.0000000 0.7396932 0.1264704), wk = 0.0031646 k( 70) = ( 0.0000000 0.7396932 0.1445376), wk = 0.0031646 k( 71) = ( 0.0000000 0.7396932 0.1626048), wk = 0.0031646 k( 72) = ( 0.0000000 0.7396932 0.1806720), wk = 0.0031646 k( 73) = ( 0.0000000 0.7396932 0.1987392), wk = 0.0031646 k( 74) = ( 0.0000000 0.7396932 0.2168064), wk = 0.0031646 k( 75) = ( 0.0000000 0.7396932 0.2348737), wk = 0.0031646 k( 76) = ( 0.0000000 0.7396932 0.2529409), wk = 0.0031646 k( 77) = ( 0.0000000 0.7396932 0.2710081), wk = 0.0031646 k( 78) = ( 0.0000000 0.7396932 0.2890753), wk = 0.0031646 k( 79) = ( 0.0000000 0.7396932 0.2890753), wk = 0.0031646 k( 80) = ( 0.0179914 0.7396932 0.2890753), wk = 0.0031646 k( 81) = ( 0.0359828 0.7396932 0.2890753), wk = 0.0031646 k( 82) = ( 0.0539742 0.7396932 0.2890753), wk = 0.0031646 k( 83) = ( 0.0719656 0.7396932 0.2890753), wk = 0.0031646 k( 84) = ( 0.0899569 0.7396932 0.2890753), wk = 0.0031646 k( 85) = ( 0.1079483 0.7396932 0.2890753), wk = 0.0031646 k( 86) = ( 0.1259397 0.7396932 0.2890753), wk = 0.0031646 k( 87) = ( 0.1439311 0.7396932 0.2890753), wk = 0.0031646 k( 88) = ( 0.1619225 0.7396932 0.2890753), wk = 0.0031646 k( 89) = ( 0.1799139 0.7396932 0.2890753), wk = 0.0031646 k( 90) = ( 0.1979053 0.7396932 0.2890753), wk = 0.0031646 k( 91) = ( 0.2158967 0.7396932 0.2890753), wk = 0.0031646 k( 92) = ( 0.2338881 0.7396932 0.2890753), wk = 0.0031646 k( 93) = ( 0.2518795 0.7396932 0.2890753), wk = 0.0031646 k( 94) = ( 0.2698708 0.7396932 0.2890753), wk = 0.0031646 k( 95) = ( 0.2878622 0.7396932 0.2890753), wk = 0.0031646 k( 96) = ( 0.2878622 0.7396932 0.2890753), wk = 0.0031646 k( 97) = ( 0.2811678 0.7224910 0.2890753), wk = 0.0031646 k( 98) = ( 0.2744733 0.7052888 0.2890753), wk = 0.0031646 k( 99) = ( 0.2677788 0.6880867 0.2890753), wk = 0.0031646 k( 100) = ( 0.2610844 0.6708845 0.2890753), wk = 0.0031646 k( 101) = ( 0.2543899 0.6536823 0.2890753), wk = 0.0031646 k( 102) = ( 0.2476954 0.6364802 0.2890753), wk = 0.0031646 k( 103) = ( 0.2410009 0.6192780 0.2890753), wk = 0.0031646 k( 104) = ( 0.2343065 0.6020758 0.2890753), wk = 0.0031646 k( 105) = ( 0.2276120 0.5848737 0.2890753), wk = 0.0031646 k( 106) = ( 0.2209175 0.5676715 0.2890753), wk = 0.0031646 k( 107) = ( 0.2142230 0.5504693 0.2890753), wk = 0.0031646 k( 108) = ( 0.2075286 0.5332672 0.2890753), wk = 0.0031646 k( 109) = ( 0.2008341 0.5160650 0.2890753), wk = 0.0031646 k( 110) = ( 0.1941396 0.4988628 0.2890753), wk = 0.0031646 k( 111) = ( 0.1874452 0.4816607 0.2890753), wk = 0.0031646 k( 112) = ( 0.1807507 0.4644585 0.2890753), wk = 0.0031646 k( 113) = ( 0.1740562 0.4472563 0.2890753), wk = 0.0031646 k( 114) = ( 0.1673618 0.4300542 0.2890753), wk = 0.0031646 k( 115) = ( 0.1606673 0.4128520 0.2890753), wk = 0.0031646 k( 116) = ( 0.1539728 0.3956498 0.2890753), wk = 0.0031646 k( 117) = ( 0.1472784 0.3784477 0.2890753), wk = 0.0031646 k( 118) = ( 0.1405839 0.3612455 0.2890753), wk = 0.0031646 k( 119) = ( 0.1338894 0.3440433 0.2890753), wk = 0.0031646 k( 120) = ( 0.1271949 0.3268412 0.2890753), wk = 0.0031646 k( 121) = ( 0.1205005 0.3096390 0.2890753), wk = 0.0031646 k( 122) = ( 0.1138060 0.2924368 0.2890753), wk = 0.0031646 k( 123) = ( 0.1071115 0.2752347 0.2890753), wk = 0.0031646 k( 124) = ( 0.1004171 0.2580325 0.2890753), wk = 0.0031646 k( 125) = ( 0.0937226 0.2408303 0.2890753), wk = 0.0031646 k( 126) = ( 0.0870281 0.2236282 0.2890753), wk = 0.0031646 k( 127) = ( 0.0803336 0.2064260 0.2890753), wk = 0.0031646 k( 128) = ( 0.0736392 0.1892238 0.2890753), wk = 0.0031646 k( 129) = ( 0.0669447 0.1720217 0.2890753), wk = 0.0031646 k( 130) = ( 0.0602502 0.1548195 0.2890753), wk = 0.0031646 k( 131) = ( 0.0535558 0.1376173 0.2890753), wk = 0.0031646 k( 132) = ( 0.0468613 0.1204152 0.2890753), wk = 0.0031646 k( 133) = ( 0.0401668 0.1032130 0.2890753), wk = 0.0031646 k( 134) = ( 0.0334723 0.0860108 0.2890753), wk = 0.0031646 k( 135) = ( 0.0267779 0.0688087 0.2890753), wk = 0.0031646 k( 136) = ( 0.0200834 0.0516065 0.2890753), wk = 0.0031646 k( 137) = ( 0.0133889 0.0344043 0.2890753), wk = 0.0031646 k( 138) = ( 0.0066945 0.0172022 0.2890753), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.2890753), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.2890753), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.2710081), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.2529409), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.2348737), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.2168064), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.1987392), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.1806720), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.1626048), wk = 0.0031646 k( 148) = ( 0.0000000 0.0000000 0.1445376), wk = 0.0031646 k( 149) = ( 0.0000000 0.0000000 0.1264704), wk = 0.0031646 k( 150) = ( 0.0000000 0.0000000 0.1084032), wk = 0.0031646 k( 151) = ( 0.0000000 0.0000000 0.0903360), wk = 0.0031646 k( 152) = ( 0.0000000 0.0000000 0.0722688), wk = 0.0031646 k( 153) = ( 0.0000000 0.0000000 0.0542016), wk = 0.0031646 k( 154) = ( 0.0000000 0.0000000 0.0361344), wk = 0.0031646 k( 155) = ( 0.0000000 0.0000000 0.0180672), wk = 0.0031646 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 158) = ( -0.0172414 0.0067097 0.0000000), wk = 0.0031646 k( 159) = ( -0.0344828 0.0134195 0.0000000), wk = 0.0031646 k( 160) = ( -0.0517241 0.0201292 0.0000000), wk = 0.0031646 k( 161) = ( -0.0689655 0.0268389 0.0000000), wk = 0.0031646 k( 162) = ( -0.0862069 0.0335487 0.0000000), wk = 0.0031646 k( 163) = ( -0.1034483 0.0402584 0.0000000), wk = 0.0031646 k( 164) = ( -0.1206897 0.0469681 0.0000000), wk = 0.0031646 k( 165) = ( -0.1379310 0.0536778 0.0000000), wk = 0.0031646 k( 166) = ( -0.1551724 0.0603876 0.0000000), wk = 0.0031646 k( 167) = ( -0.1724138 0.0670973 0.0000000), wk = 0.0031646 k( 168) = ( -0.1896552 0.0738070 0.0000000), wk = 0.0031646 k( 169) = ( -0.2068966 0.0805168 0.0000000), wk = 0.0031646 k( 170) = ( -0.2241379 0.0872265 0.0000000), wk = 0.0031646 k( 171) = ( -0.2413793 0.0939362 0.0000000), wk = 0.0031646 k( 172) = ( -0.2586207 0.1006460 0.0000000), wk = 0.0031646 k( 173) = ( -0.2758621 0.1073557 0.0000000), wk = 0.0031646 k( 174) = ( -0.2931034 0.1140654 0.0000000), wk = 0.0031646 k( 175) = ( -0.3103448 0.1207752 0.0000000), wk = 0.0031646 k( 176) = ( -0.3275862 0.1274849 0.0000000), wk = 0.0031646 k( 177) = ( -0.3448276 0.1341946 0.0000000), wk = 0.0031646 k( 178) = ( -0.3620690 0.1409043 0.0000000), wk = 0.0031646 k( 179) = ( -0.3793103 0.1476141 0.0000000), wk = 0.0031646 k( 180) = ( -0.3965517 0.1543238 0.0000000), wk = 0.0031646 k( 181) = ( -0.4137931 0.1610335 0.0000000), wk = 0.0031646 k( 182) = ( -0.4310345 0.1677433 0.0000000), wk = 0.0031646 k( 183) = ( -0.4482759 0.1744530 0.0000000), wk = 0.0031646 k( 184) = ( -0.4655172 0.1811627 0.0000000), wk = 0.0031646 k( 185) = ( -0.4827586 0.1878725 0.0000000), wk = 0.0031646 k( 186) = ( -0.5000000 0.1945822 0.0000000), wk = 0.0031646 k( 187) = ( -0.5000000 0.1945822 0.0000000), wk = 0.0031646 k( 188) = ( -0.4933707 0.2116169 -0.0000000), wk = 0.0031646 k( 189) = ( -0.4867414 0.2286516 -0.0000000), wk = 0.0031646 k( 190) = ( -0.4801121 0.2456863 -0.0000000), wk = 0.0031646 k( 191) = ( -0.4734828 0.2627211 -0.0000000), wk = 0.0031646 k( 192) = ( -0.4668535 0.2797558 -0.0000000), wk = 0.0031646 k( 193) = ( -0.4602242 0.2967905 -0.0000000), wk = 0.0031646 k( 194) = ( -0.4535949 0.3138252 -0.0000000), wk = 0.0031646 k( 195) = ( -0.4469656 0.3308599 -0.0000000), wk = 0.0031646 k( 196) = ( -0.4403362 0.3478947 -0.0000000), wk = 0.0031646 k( 197) = ( -0.4337069 0.3649294 -0.0000000), wk = 0.0031646 k( 198) = ( -0.4270776 0.3819641 -0.0000000), wk = 0.0031646 k( 199) = ( -0.4204483 0.3989988 -0.0000000), wk = 0.0031646 k( 200) = ( -0.4138190 0.4160335 -0.0000000), wk = 0.0031646 k( 201) = ( -0.4071897 0.4330683 -0.0000000), wk = 0.0031646 k( 202) = ( -0.4005604 0.4501030 -0.0000000), wk = 0.0031646 k( 203) = ( -0.3939311 0.4671377 -0.0000000), wk = 0.0031646 k( 204) = ( -0.3873018 0.4841724 -0.0000000), wk = 0.0031646 k( 205) = ( -0.3806725 0.5012071 -0.0000000), wk = 0.0031646 k( 206) = ( -0.3740432 0.5182418 -0.0000000), wk = 0.0031646 k( 207) = ( -0.3674139 0.5352766 -0.0000000), wk = 0.0031646 k( 208) = ( -0.3607846 0.5523113 -0.0000000), wk = 0.0031646 k( 209) = ( -0.3541553 0.5693460 -0.0000000), wk = 0.0031646 k( 210) = ( -0.3475260 0.5863807 -0.0000000), wk = 0.0031646 k( 211) = ( -0.3408967 0.6034154 -0.0000000), wk = 0.0031646 k( 212) = ( -0.3342674 0.6204502 -0.0000000), wk = 0.0031646 k( 213) = ( -0.3276381 0.6374849 -0.0000000), wk = 0.0031646 k( 214) = ( -0.3210088 0.6545196 -0.0000000), wk = 0.0031646 k( 215) = ( -0.3143795 0.6715543 -0.0000000), wk = 0.0031646 k( 216) = ( -0.3077501 0.6885890 -0.0000000), wk = 0.0031646 k( 217) = ( -0.3011208 0.7056237 -0.0000000), wk = 0.0031646 k( 218) = ( -0.2944915 0.7226585 -0.0000000), wk = 0.0031646 k( 219) = ( -0.2878622 0.7396932 -0.0000000), wk = 0.0031646 k( 220) = ( -0.2878622 0.7396932 -0.0000000), wk = 0.0031646 k( 221) = ( -0.2878622 0.7396932 0.0180672), wk = 0.0031646 k( 222) = ( -0.2878622 0.7396932 0.0361344), wk = 0.0031646 k( 223) = ( -0.2878622 0.7396932 0.0542016), wk = 0.0031646 k( 224) = ( -0.2878622 0.7396932 0.0722688), wk = 0.0031646 k( 225) = ( -0.2878622 0.7396932 0.0903360), wk = 0.0031646 k( 226) = ( -0.2878622 0.7396932 0.1084032), wk = 0.0031646 k( 227) = ( -0.2878622 0.7396932 0.1264704), wk = 0.0031646 k( 228) = ( -0.2878622 0.7396932 0.1445376), wk = 0.0031646 k( 229) = ( -0.2878622 0.7396932 0.1626048), wk = 0.0031646 k( 230) = ( -0.2878622 0.7396932 0.1806720), wk = 0.0031646 k( 231) = ( -0.2878622 0.7396932 0.1987392), wk = 0.0031646 k( 232) = ( -0.2878622 0.7396932 0.2168064), wk = 0.0031646 k( 233) = ( -0.2878622 0.7396932 0.2348737), wk = 0.0031646 k( 234) = ( -0.2878622 0.7396932 0.2529409), wk = 0.0031646 k( 235) = ( -0.2878622 0.7396932 0.2710081), wk = 0.0031646 k( 236) = ( -0.2878622 0.7396932 0.2890753), wk = 0.0031646 k( 237) = ( -0.2878622 0.7396932 0.2890753), wk = 0.0031646 k( 238) = ( -0.2944915 0.7226585 0.2890753), wk = 0.0031646 k( 239) = ( -0.3011208 0.7056237 0.2890753), wk = 0.0031646 k( 240) = ( -0.3077501 0.6885890 0.2890753), wk = 0.0031646 k( 241) = ( -0.3143795 0.6715543 0.2890753), wk = 0.0031646 k( 242) = ( -0.3210088 0.6545196 0.2890753), wk = 0.0031646 k( 243) = ( -0.3276381 0.6374849 0.2890753), wk = 0.0031646 k( 244) = ( -0.3342674 0.6204502 0.2890753), wk = 0.0031646 k( 245) = ( -0.3408967 0.6034154 0.2890753), wk = 0.0031646 k( 246) = ( -0.3475260 0.5863807 0.2890753), wk = 0.0031646 k( 247) = ( -0.3541553 0.5693460 0.2890753), wk = 0.0031646 k( 248) = ( -0.3607846 0.5523113 0.2890753), wk = 0.0031646 k( 249) = ( -0.3674139 0.5352766 0.2890753), wk = 0.0031646 k( 250) = ( -0.3740432 0.5182418 0.2890753), wk = 0.0031646 k( 251) = ( -0.3806725 0.5012071 0.2890753), wk = 0.0031646 k( 252) = ( -0.3873018 0.4841724 0.2890753), wk = 0.0031646 k( 253) = ( -0.3939311 0.4671377 0.2890753), wk = 0.0031646 k( 254) = ( -0.4005604 0.4501030 0.2890753), wk = 0.0031646 k( 255) = ( -0.4071897 0.4330683 0.2890753), wk = 0.0031646 k( 256) = ( -0.4138190 0.4160335 0.2890753), wk = 0.0031646 k( 257) = ( -0.4204483 0.3989988 0.2890753), wk = 0.0031646 k( 258) = ( -0.4270776 0.3819641 0.2890753), wk = 0.0031646 k( 259) = ( -0.4337069 0.3649294 0.2890753), wk = 0.0031646 k( 260) = ( -0.4403362 0.3478947 0.2890753), wk = 0.0031646 k( 261) = ( -0.4469656 0.3308599 0.2890753), wk = 0.0031646 k( 262) = ( -0.4535949 0.3138252 0.2890753), wk = 0.0031646 k( 263) = ( -0.4602242 0.2967905 0.2890753), wk = 0.0031646 k( 264) = ( -0.4668535 0.2797558 0.2890753), wk = 0.0031646 k( 265) = ( -0.4734828 0.2627211 0.2890753), wk = 0.0031646 k( 266) = ( -0.4801121 0.2456863 0.2890753), wk = 0.0031646 k( 267) = ( -0.4867414 0.2286516 0.2890753), wk = 0.0031646 k( 268) = ( -0.4933707 0.2116169 0.2890753), wk = 0.0031646 k( 269) = ( -0.5000000 0.1945822 0.2890753), wk = 0.0031646 k( 270) = ( -0.5000000 0.1945822 0.2890753), wk = 0.0031646 k( 271) = ( -0.5000000 0.1945822 0.2710081), wk = 0.0031646 k( 272) = ( -0.5000000 0.1945822 0.2529409), wk = 0.0031646 k( 273) = ( -0.5000000 0.1945822 0.2348737), wk = 0.0031646 k( 274) = ( -0.5000000 0.1945822 0.2168064), wk = 0.0031646 k( 275) = ( -0.5000000 0.1945822 0.1987392), wk = 0.0031646 k( 276) = ( -0.5000000 0.1945822 0.1806720), wk = 0.0031646 k( 277) = ( -0.5000000 0.1945822 0.1626048), wk = 0.0031646 k( 278) = ( -0.5000000 0.1945822 0.1445376), wk = 0.0031646 k( 279) = ( -0.5000000 0.1945822 0.1264704), wk = 0.0031646 k( 280) = ( -0.5000000 0.1945822 0.1084032), wk = 0.0031646 k( 281) = ( -0.5000000 0.1945822 0.0903360), wk = 0.0031646 k( 282) = ( -0.5000000 0.1945822 0.0722688), wk = 0.0031646 k( 283) = ( -0.5000000 0.1945822 0.0542016), wk = 0.0031646 k( 284) = ( -0.5000000 0.1945822 0.0361344), wk = 0.0031646 k( 285) = ( -0.5000000 0.1945822 0.0180672), wk = 0.0031646 k( 286) = ( -0.5000000 0.1945822 0.0000000), wk = 0.0031646 k( 287) = ( 0.0000000 0.0000000 0.2890753), wk = 0.0031646 k( 288) = ( -0.0172414 0.0067097 0.2890753), wk = 0.0031646 k( 289) = ( -0.0344828 0.0134195 0.2890753), wk = 0.0031646 k( 290) = ( -0.0517241 0.0201292 0.2890753), wk = 0.0031646 k( 291) = ( -0.0689655 0.0268389 0.2890753), wk = 0.0031646 k( 292) = ( -0.0862069 0.0335487 0.2890753), wk = 0.0031646 k( 293) = ( -0.1034483 0.0402584 0.2890753), wk = 0.0031646 k( 294) = ( -0.1206897 0.0469681 0.2890753), wk = 0.0031646 k( 295) = ( -0.1379310 0.0536778 0.2890753), wk = 0.0031646 k( 296) = ( -0.1551724 0.0603876 0.2890753), wk = 0.0031646 k( 297) = ( -0.1724138 0.0670973 0.2890753), wk = 0.0031646 k( 298) = ( -0.1896552 0.0738070 0.2890753), wk = 0.0031646 k( 299) = ( -0.2068966 0.0805168 0.2890753), wk = 0.0031646 k( 300) = ( -0.2241379 0.0872265 0.2890753), wk = 0.0031646 k( 301) = ( -0.2413793 0.0939362 0.2890753), wk = 0.0031646 k( 302) = ( -0.2586207 0.1006460 0.2890753), wk = 0.0031646 k( 303) = ( -0.2758621 0.1073557 0.2890753), wk = 0.0031646 k( 304) = ( -0.2931034 0.1140654 0.2890753), wk = 0.0031646 k( 305) = ( -0.3103448 0.1207752 0.2890753), wk = 0.0031646 k( 306) = ( -0.3275862 0.1274849 0.2890753), wk = 0.0031646 k( 307) = ( -0.3448276 0.1341946 0.2890753), wk = 0.0031646 k( 308) = ( -0.3620690 0.1409043 0.2890753), wk = 0.0031646 k( 309) = ( -0.3793103 0.1476141 0.2890753), wk = 0.0031646 k( 310) = ( -0.3965517 0.1543238 0.2890753), wk = 0.0031646 k( 311) = ( -0.4137931 0.1610335 0.2890753), wk = 0.0031646 k( 312) = ( -0.4310345 0.1677433 0.2890753), wk = 0.0031646 k( 313) = ( -0.4482759 0.1744530 0.2890753), wk = 0.0031646 k( 314) = ( -0.4655172 0.1811627 0.2890753), wk = 0.0031646 k( 315) = ( -0.4827586 0.1878725 0.2890753), wk = 0.0031646 k( 316) = ( -0.5000000 0.1945822 0.2890753), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0066945 0.0066945 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0133889 0.0133889 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0200834 0.0200834 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0267779 0.0267779 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0334723 0.0334724 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0401668 0.0401668 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0468613 0.0468613 0.0000000), wk = 0.0031646 k( 9) = ( 0.0535558 0.0535558 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0602502 0.0602502 0.0000000), wk = 0.0031646 k( 11) = ( 0.0669447 0.0669447 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0736392 0.0736392 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0803336 0.0803336 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0870281 0.0870281 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0937226 0.0937226 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1004171 0.1004171 0.0000000), wk = 0.0031646 k( 17) = ( 0.1071115 0.1071115 0.0000000), wk = 0.0031646 k( 18) = ( 0.1138060 0.1138060 0.0000000), wk = 0.0031646 k( 19) = ( 0.1205005 0.1205005 0.0000000), wk = 0.0031646 k( 20) = ( 0.1271949 0.1271949 -0.0000000), wk = 0.0031646 k( 21) = ( 0.1338894 0.1338894 -0.0000000), wk = 0.0031646 k( 22) = ( 0.1405839 0.1405839 -0.0000000), wk = 0.0031646 k( 23) = ( 0.1472784 0.1472784 0.0000000), wk = 0.0031646 k( 24) = ( 0.1539728 0.1539728 -0.0000000), wk = 0.0031646 k( 25) = ( 0.1606673 0.1606673 -0.0000000), wk = 0.0031646 k( 26) = ( 0.1673618 0.1673618 -0.0000000), wk = 0.0031646 k( 27) = ( 0.1740562 0.1740562 -0.0000000), wk = 0.0031646 k( 28) = ( 0.1807507 0.1807507 0.0000000), wk = 0.0031646 k( 29) = ( 0.1874452 0.1874452 0.0000000), wk = 0.0031646 k( 30) = ( 0.1941396 0.1941396 -0.0000000), wk = 0.0031646 k( 31) = ( 0.2008341 0.2008341 -0.0000000), wk = 0.0031646 k( 32) = ( 0.2075286 0.2075286 -0.0000000), wk = 0.0031646 k( 33) = ( 0.2142230 0.2142231 0.0000000), wk = 0.0031646 k( 34) = ( 0.2209175 0.2209175 0.0000000), wk = 0.0031646 k( 35) = ( 0.2276120 0.2276120 -0.0000000), wk = 0.0031646 k( 36) = ( 0.2343065 0.2343065 0.0000000), wk = 0.0031646 k( 37) = ( 0.2410009 0.2410009 0.0000000), wk = 0.0031646 k( 38) = ( 0.2476954 0.2476954 0.0000000), wk = 0.0031646 k( 39) = ( 0.2543899 0.2543899 -0.0000000), wk = 0.0031646 k( 40) = ( 0.2610844 0.2610844 0.0000000), wk = 0.0031646 k( 41) = ( 0.2677788 0.2677788 -0.0000000), wk = 0.0031646 k( 42) = ( 0.2744733 0.2744733 0.0000000), wk = 0.0031646 k( 43) = ( 0.2811678 0.2811678 -0.0000000), wk = 0.0031646 k( 44) = ( 0.2878622 0.2878622 -0.0000000), wk = 0.0031646 k( 45) = ( 0.2878622 0.2878622 -0.0000000), wk = 0.0031646 k( 46) = ( 0.2698708 0.3011208 0.0000000), wk = 0.0031646 k( 47) = ( 0.2518795 0.3143795 -0.0000000), wk = 0.0031646 k( 48) = ( 0.2338881 0.3276381 0.0000000), wk = 0.0031646 k( 49) = ( 0.2158967 0.3408967 -0.0000000), wk = 0.0031646 k( 50) = ( 0.1979053 0.3541553 0.0000000), wk = 0.0031646 k( 51) = ( 0.1799139 0.3674139 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1619225 0.3806725 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1439311 0.3939311 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1259397 0.4071897 0.0000000), wk = 0.0031646 k( 55) = ( 0.1079483 0.4204483 0.0000000), wk = 0.0031646 k( 56) = ( 0.0899569 0.4337070 -0.0000000), wk = 0.0031646 k( 57) = ( 0.0719656 0.4469656 0.0000000), wk = 0.0031646 k( 58) = ( 0.0539742 0.4602242 0.0000000), wk = 0.0031646 k( 59) = ( 0.0359828 0.4734828 -0.0000000), wk = 0.0031646 k( 60) = ( 0.0179914 0.4867414 0.0000000), wk = 0.0031646 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0031646 k( 64) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0031646 k( 65) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0031646 k( 66) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0031646 k( 67) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0031646 k( 68) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0031646 k( 69) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0031646 k( 70) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031646 k( 71) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0031646 k( 72) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0031646 k( 73) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0031646 k( 74) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0031646 k( 75) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0031646 k( 76) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0031646 k( 77) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0031646 k( 78) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 79) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031646 k( 80) = ( 0.0179914 0.4867414 0.5000000), wk = 0.0031646 k( 81) = ( 0.0359828 0.4734828 0.5000000), wk = 0.0031646 k( 82) = ( 0.0539742 0.4602242 0.5000000), wk = 0.0031646 k( 83) = ( 0.0719656 0.4469656 0.5000000), wk = 0.0031646 k( 84) = ( 0.0899569 0.4337070 0.5000000), wk = 0.0031646 k( 85) = ( 0.1079483 0.4204483 0.5000000), wk = 0.0031646 k( 86) = ( 0.1259397 0.4071897 0.5000000), wk = 0.0031646 k( 87) = ( 0.1439311 0.3939311 0.5000000), wk = 0.0031646 k( 88) = ( 0.1619225 0.3806725 0.5000000), wk = 0.0031646 k( 89) = ( 0.1799139 0.3674139 0.5000000), wk = 0.0031646 k( 90) = ( 0.1979053 0.3541553 0.5000000), wk = 0.0031646 k( 91) = ( 0.2158967 0.3408967 0.5000000), wk = 0.0031646 k( 92) = ( 0.2338881 0.3276381 0.5000000), wk = 0.0031646 k( 93) = ( 0.2518795 0.3143795 0.5000000), wk = 0.0031646 k( 94) = ( 0.2698708 0.3011208 0.5000000), wk = 0.0031646 k( 95) = ( 0.2878622 0.2878622 0.5000000), wk = 0.0031646 k( 96) = ( 0.2878622 0.2878622 0.5000000), wk = 0.0031646 k( 97) = ( 0.2811678 0.2811678 0.5000000), wk = 0.0031646 k( 98) = ( 0.2744733 0.2744733 0.5000000), wk = 0.0031646 k( 99) = ( 0.2677788 0.2677788 0.5000000), wk = 0.0031646 k( 100) = ( 0.2610844 0.2610844 0.5000000), wk = 0.0031646 k( 101) = ( 0.2543899 0.2543899 0.5000000), wk = 0.0031646 k( 102) = ( 0.2476954 0.2476954 0.5000000), wk = 0.0031646 k( 103) = ( 0.2410009 0.2410009 0.5000000), wk = 0.0031646 k( 104) = ( 0.2343065 0.2343065 0.5000000), wk = 0.0031646 k( 105) = ( 0.2276120 0.2276120 0.5000000), wk = 0.0031646 k( 106) = ( 0.2209175 0.2209175 0.5000000), wk = 0.0031646 k( 107) = ( 0.2142230 0.2142231 0.5000000), wk = 0.0031646 k( 108) = ( 0.2075286 0.2075286 0.5000000), wk = 0.0031646 k( 109) = ( 0.2008341 0.2008341 0.5000000), wk = 0.0031646 k( 110) = ( 0.1941396 0.1941396 0.5000000), wk = 0.0031646 k( 111) = ( 0.1874452 0.1874452 0.5000000), wk = 0.0031646 k( 112) = ( 0.1807507 0.1807507 0.5000000), wk = 0.0031646 k( 113) = ( 0.1740562 0.1740562 0.5000000), wk = 0.0031646 k( 114) = ( 0.1673618 0.1673618 0.5000000), wk = 0.0031646 k( 115) = ( 0.1606673 0.1606673 0.5000000), wk = 0.0031646 k( 116) = ( 0.1539728 0.1539728 0.5000000), wk = 0.0031646 k( 117) = ( 0.1472784 0.1472784 0.5000000), wk = 0.0031646 k( 118) = ( 0.1405839 0.1405839 0.5000000), wk = 0.0031646 k( 119) = ( 0.1338894 0.1338894 0.5000000), wk = 0.0031646 k( 120) = ( 0.1271949 0.1271949 0.5000000), wk = 0.0031646 k( 121) = ( 0.1205005 0.1205005 0.5000000), wk = 0.0031646 k( 122) = ( 0.1138060 0.1138060 0.5000000), wk = 0.0031646 k( 123) = ( 0.1071115 0.1071115 0.5000000), wk = 0.0031646 k( 124) = ( 0.1004171 0.1004171 0.5000000), wk = 0.0031646 k( 125) = ( 0.0937226 0.0937226 0.5000000), wk = 0.0031646 k( 126) = ( 0.0870281 0.0870281 0.5000000), wk = 0.0031646 k( 127) = ( 0.0803336 0.0803336 0.5000000), wk = 0.0031646 k( 128) = ( 0.0736392 0.0736392 0.5000000), wk = 0.0031646 k( 129) = ( 0.0669447 0.0669447 0.5000000), wk = 0.0031646 k( 130) = ( 0.0602502 0.0602502 0.5000000), wk = 0.0031646 k( 131) = ( 0.0535558 0.0535558 0.5000000), wk = 0.0031646 k( 132) = ( 0.0468613 0.0468613 0.5000000), wk = 0.0031646 k( 133) = ( 0.0401668 0.0401668 0.5000000), wk = 0.0031646 k( 134) = ( 0.0334723 0.0334724 0.5000000), wk = 0.0031646 k( 135) = ( 0.0267779 0.0267779 0.5000000), wk = 0.0031646 k( 136) = ( 0.0200834 0.0200834 0.5000000), wk = 0.0031646 k( 137) = ( 0.0133889 0.0133889 0.5000000), wk = 0.0031646 k( 138) = ( 0.0066945 0.0066945 0.5000000), wk = 0.0031646 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 141) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0031646 k( 142) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031646 k( 145) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0031646 k( 146) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0031646 k( 147) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0031646 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031646 k( 149) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0031646 k( 150) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0031646 k( 151) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0031646 k( 152) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031646 k( 153) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0031646 k( 154) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0031646 k( 155) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0031646 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 158) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 159) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 160) = ( -0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 161) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 162) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0031646 k( 163) = ( -0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 164) = ( -0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 165) = ( -0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 166) = ( -0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 167) = ( -0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 168) = ( -0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 169) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 170) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 171) = ( -0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 172) = ( -0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 173) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 174) = ( -0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 175) = ( -0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 176) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 177) = ( -0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 178) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 179) = ( -0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 180) = ( -0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 181) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 182) = ( -0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 183) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 184) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0031646 k( 185) = ( -0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 186) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 187) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 188) = ( -0.4933707 0.5066293 0.0000000), wk = 0.0031646 k( 189) = ( -0.4867414 0.5132586 0.0000000), wk = 0.0031646 k( 190) = ( -0.4801121 0.5198879 0.0000000), wk = 0.0031646 k( 191) = ( -0.4734828 0.5265172 0.0000000), wk = 0.0031646 k( 192) = ( -0.4668535 0.5331465 0.0000000), wk = 0.0031646 k( 193) = ( -0.4602242 0.5397758 0.0000000), wk = 0.0031646 k( 194) = ( -0.4535949 0.5464051 0.0000000), wk = 0.0031646 k( 195) = ( -0.4469656 0.5530344 0.0000000), wk = 0.0031646 k( 196) = ( -0.4403362 0.5596638 0.0000000), wk = 0.0031646 k( 197) = ( -0.4337069 0.5662930 -0.0000000), wk = 0.0031646 k( 198) = ( -0.4270776 0.5729224 0.0000000), wk = 0.0031646 k( 199) = ( -0.4204483 0.5795517 0.0000000), wk = 0.0031646 k( 200) = ( -0.4138190 0.5861810 0.0000000), wk = 0.0031646 k( 201) = ( -0.4071897 0.5928103 -0.0000000), wk = 0.0031646 k( 202) = ( -0.4005604 0.5994396 0.0000000), wk = 0.0031646 k( 203) = ( -0.3939311 0.6060689 0.0000000), wk = 0.0031646 k( 204) = ( -0.3873018 0.6126982 0.0000000), wk = 0.0031646 k( 205) = ( -0.3806725 0.6193275 -0.0000000), wk = 0.0031646 k( 206) = ( -0.3740432 0.6259568 0.0000000), wk = 0.0031646 k( 207) = ( -0.3674139 0.6325861 0.0000000), wk = 0.0031646 k( 208) = ( -0.3607846 0.6392154 -0.0000000), wk = 0.0031646 k( 209) = ( -0.3541553 0.6458447 -0.0000000), wk = 0.0031646 k( 210) = ( -0.3475260 0.6524740 0.0000000), wk = 0.0031646 k( 211) = ( -0.3408967 0.6591033 0.0000000), wk = 0.0031646 k( 212) = ( -0.3342674 0.6657326 -0.0000000), wk = 0.0031646 k( 213) = ( -0.3276381 0.6723619 0.0000000), wk = 0.0031646 k( 214) = ( -0.3210088 0.6789913 -0.0000000), wk = 0.0031646 k( 215) = ( -0.3143795 0.6856205 -0.0000000), wk = 0.0031646 k( 216) = ( -0.3077501 0.6922499 0.0000000), wk = 0.0031646 k( 217) = ( -0.3011208 0.6988792 0.0000000), wk = 0.0031646 k( 218) = ( -0.2944915 0.7055085 -0.0000000), wk = 0.0031646 k( 219) = ( -0.2878622 0.7121378 -0.0000000), wk = 0.0031646 k( 220) = ( -0.2878622 0.7121378 -0.0000000), wk = 0.0031646 k( 221) = ( -0.2878622 0.7121378 0.0312500), wk = 0.0031646 k( 222) = ( -0.2878622 0.7121378 0.0625000), wk = 0.0031646 k( 223) = ( -0.2878622 0.7121378 0.0937500), wk = 0.0031646 k( 224) = ( -0.2878622 0.7121378 0.1250000), wk = 0.0031646 k( 225) = ( -0.2878622 0.7121378 0.1562500), wk = 0.0031646 k( 226) = ( -0.2878622 0.7121378 0.1875000), wk = 0.0031646 k( 227) = ( -0.2878622 0.7121378 0.2187500), wk = 0.0031646 k( 228) = ( -0.2878622 0.7121378 0.2500000), wk = 0.0031646 k( 229) = ( -0.2878622 0.7121378 0.2812500), wk = 0.0031646 k( 230) = ( -0.2878622 0.7121378 0.3125000), wk = 0.0031646 k( 231) = ( -0.2878622 0.7121378 0.3437500), wk = 0.0031646 k( 232) = ( -0.2878622 0.7121378 0.3750000), wk = 0.0031646 k( 233) = ( -0.2878622 0.7121378 0.4062500), wk = 0.0031646 k( 234) = ( -0.2878622 0.7121378 0.4375000), wk = 0.0031646 k( 235) = ( -0.2878622 0.7121378 0.4687500), wk = 0.0031646 k( 236) = ( -0.2878622 0.7121378 0.5000000), wk = 0.0031646 k( 237) = ( -0.2878622 0.7121378 0.5000000), wk = 0.0031646 k( 238) = ( -0.2944915 0.7055085 0.5000000), wk = 0.0031646 k( 239) = ( -0.3011208 0.6988792 0.5000000), wk = 0.0031646 k( 240) = ( -0.3077501 0.6922499 0.5000000), wk = 0.0031646 k( 241) = ( -0.3143795 0.6856205 0.5000000), wk = 0.0031646 k( 242) = ( -0.3210088 0.6789913 0.5000000), wk = 0.0031646 k( 243) = ( -0.3276381 0.6723619 0.5000000), wk = 0.0031646 k( 244) = ( -0.3342674 0.6657326 0.5000000), wk = 0.0031646 k( 245) = ( -0.3408967 0.6591033 0.5000000), wk = 0.0031646 k( 246) = ( -0.3475260 0.6524740 0.5000000), wk = 0.0031646 k( 247) = ( -0.3541553 0.6458447 0.5000000), wk = 0.0031646 k( 248) = ( -0.3607846 0.6392154 0.5000000), wk = 0.0031646 k( 249) = ( -0.3674139 0.6325861 0.5000000), wk = 0.0031646 k( 250) = ( -0.3740432 0.6259568 0.5000000), wk = 0.0031646 k( 251) = ( -0.3806725 0.6193275 0.5000000), wk = 0.0031646 k( 252) = ( -0.3873018 0.6126982 0.5000000), wk = 0.0031646 k( 253) = ( -0.3939311 0.6060689 0.5000000), wk = 0.0031646 k( 254) = ( -0.4005604 0.5994396 0.5000000), wk = 0.0031646 k( 255) = ( -0.4071897 0.5928103 0.5000000), wk = 0.0031646 k( 256) = ( -0.4138190 0.5861810 0.5000000), wk = 0.0031646 k( 257) = ( -0.4204483 0.5795517 0.5000000), wk = 0.0031646 k( 258) = ( -0.4270776 0.5729224 0.5000000), wk = 0.0031646 k( 259) = ( -0.4337069 0.5662930 0.5000000), wk = 0.0031646 k( 260) = ( -0.4403362 0.5596638 0.5000000), wk = 0.0031646 k( 261) = ( -0.4469656 0.5530344 0.5000000), wk = 0.0031646 k( 262) = ( -0.4535949 0.5464051 0.5000000), wk = 0.0031646 k( 263) = ( -0.4602242 0.5397758 0.5000000), wk = 0.0031646 k( 264) = ( -0.4668535 0.5331465 0.5000000), wk = 0.0031646 k( 265) = ( -0.4734828 0.5265172 0.5000000), wk = 0.0031646 k( 266) = ( -0.4801121 0.5198879 0.5000000), wk = 0.0031646 k( 267) = ( -0.4867414 0.5132586 0.5000000), wk = 0.0031646 k( 268) = ( -0.4933707 0.5066293 0.5000000), wk = 0.0031646 k( 269) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 270) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 271) = ( -0.5000000 0.5000000 0.4687500), wk = 0.0031646 k( 272) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0031646 k( 273) = ( -0.5000000 0.5000000 0.4062500), wk = 0.0031646 k( 274) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0031646 k( 275) = ( -0.5000000 0.5000000 0.3437500), wk = 0.0031646 k( 276) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0031646 k( 277) = ( -0.5000000 0.5000000 0.2812500), wk = 0.0031646 k( 278) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0031646 k( 279) = ( -0.5000000 0.5000000 0.2187500), wk = 0.0031646 k( 280) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0031646 k( 281) = ( -0.5000000 0.5000000 0.1562500), wk = 0.0031646 k( 282) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0031646 k( 283) = ( -0.5000000 0.5000000 0.0937500), wk = 0.0031646 k( 284) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0031646 k( 285) = ( -0.5000000 0.5000000 0.0312500), wk = 0.0031646 k( 286) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031646 k( 288) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0031646 k( 289) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0031646 k( 290) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0031646 k( 291) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0031646 k( 292) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0031646 k( 293) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0031646 k( 294) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0031646 k( 295) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0031646 k( 296) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0031646 k( 297) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0031646 k( 298) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0031646 k( 299) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0031646 k( 300) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0031646 k( 301) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0031646 k( 302) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0031646 k( 303) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0031646 k( 304) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0031646 k( 305) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0031646 k( 306) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0031646 k( 307) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0031646 k( 308) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0031646 k( 309) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0031646 k( 310) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0031646 k( 311) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0031646 k( 312) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0031646 k( 313) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0031646 k( 314) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0031646 k( 315) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0031646 k( 316) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 71233 G-vectors FFT dimensions: ( 50, 50, 90) Smooth grid: 62091 G-vectors FFT dimensions: ( 48, 48, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.41 Mb ( 464, 58) NL pseudopotentials 1.21 Mb ( 232, 342) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 1981) G-vector shells 0.01 Mb ( 972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.64 Mb ( 464, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.61 Mb ( 342, 2, 58) The potential is recalculated from file : ./BaxAlSix2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 14.2 secs Computing kpt #: 9 total cpu time spent up to now is 15.5 secs Computing kpt #: 10 total cpu time spent up to now is 17.1 secs Computing kpt #: 11 total cpu time spent up to now is 18.4 secs Computing kpt #: 12 total cpu time spent up to now is 19.7 secs Computing kpt #: 13 total cpu time spent up to now is 20.9 secs Computing kpt #: 14 total cpu time spent up to now is 22.2 secs Computing kpt #: 15 total cpu time spent up to now is 23.4 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 26.9 secs Computing kpt #: 19 total cpu time spent up to now is 28.0 secs Computing kpt #: 20 total cpu time spent up to now is 29.2 secs Computing kpt #: 21 total cpu time spent up to now is 30.7 secs Computing kpt #: 22 total cpu time spent up to now is 32.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.9 secs Computing kpt #: 24 total cpu time spent up to now is 33.8 secs Computing kpt #: 25 total cpu time spent up to now is 34.7 secs Computing kpt #: 26 total cpu time spent up to now is 35.6 secs Computing kpt #: 27 total cpu time spent up to now is 36.5 secs Computing kpt #: 28 total cpu time spent up to now is 37.4 secs Computing kpt #: 29 total cpu time spent up to now is 38.3 secs Computing kpt #: 30 total cpu time spent up to now is 39.2 secs Computing kpt #: 31 total cpu time spent up to now is 40.1 secs Computing kpt #: 32 total cpu time spent up to now is 41.0 secs Computing kpt #: 33 total cpu time spent up to now is 41.9 secs Computing kpt #: 34 total cpu time spent up to now is 42.8 secs Computing kpt #: 35 total cpu time spent up to now is 43.7 secs Computing kpt #: 36 total cpu time spent up to now is 44.6 secs Computing kpt #: 37 total cpu time spent up to now is 45.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.4 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 50.3 secs Computing kpt #: 41 total cpu time spent up to now is 51.7 secs Computing kpt #: 42 total cpu time spent up to now is 53.2 secs Computing kpt #: 43 total cpu time spent up to now is 54.7 secs Computing kpt #: 44 total cpu time spent up to now is 56.3 secs Computing kpt #: 45 total cpu time spent up to now is 57.8 secs Computing kpt #: 46 total cpu time spent up to now is 59.2 secs Computing kpt #: 47 total cpu time spent up to now is 60.4 secs Computing kpt #: 48 total cpu time spent up to now is 61.7 secs Computing kpt #: 49 total cpu time spent up to now is 62.8 secs Computing kpt #: 50 total cpu time spent up to now is 64.0 secs Computing kpt #: 51 total cpu time spent up to now is 65.1 secs Computing kpt #: 52 total cpu time spent up to now is 66.2 secs Computing kpt #: 53 total cpu time spent up to now is 67.2 secs Computing kpt #: 54 total cpu time spent up to now is 68.2 secs Computing kpt #: 55 total cpu time spent up to now is 69.1 secs Computing kpt #: 56 total cpu time spent up to now is 70.0 secs Computing kpt #: 57 total cpu time spent up to now is 71.0 secs Computing kpt #: 58 total cpu time spent up to now is 72.0 secs Computing kpt #: 59 total cpu time spent up to now is 73.2 secs Computing kpt #: 60 total cpu time spent up to now is 74.4 secs Computing kpt #: 61 total cpu time spent up to now is 75.5 secs Computing kpt #: 62 total cpu time spent up to now is 76.7 secs Computing kpt #: 63 total cpu time spent up to now is 77.9 secs Computing kpt #: 64 total cpu time spent up to now is 79.0 secs Computing kpt #: 65 total cpu time spent up to now is 80.2 secs Computing kpt #: 66 total cpu time spent up to now is 81.4 secs Computing kpt #: 67 total cpu time spent up to now is 82.6 secs Computing kpt #: 68 total cpu time spent up to now is 84.1 secs Computing kpt #: 69 total cpu time spent up to now is 85.3 secs Computing kpt #: 70 total cpu time spent up to now is 86.6 secs Computing kpt #: 71 total cpu time spent up to now is 87.9 secs Computing kpt #: 72 total cpu time spent up to now is 89.2 secs Computing kpt #: 73 total cpu time spent up to now is 90.4 secs Computing kpt #: 74 total cpu time spent up to now is 91.7 secs Computing kpt #: 75 total cpu time spent up to now is 93.0 secs Computing kpt #: 76 total cpu time spent up to now is 94.3 secs Computing kpt #: 77 total cpu time spent up to now is 95.6 secs Computing kpt #: 78 total cpu time spent up to now is 97.1 secs Computing kpt #: 79 total cpu time spent up to now is 98.5 secs Computing kpt #: 80 total cpu time spent up to now is 99.9 secs Computing kpt #: 81 total cpu time spent up to now is 101.2 secs Computing kpt #: 82 total cpu time spent up to now is 102.6 secs Computing kpt #: 83 total cpu time spent up to now is 103.9 secs Computing kpt #: 84 total cpu time spent up to now is 105.2 secs Computing kpt #: 85 total cpu time spent up to now is 106.7 secs Computing kpt #: 86 total cpu time spent up to now is 108.1 secs Computing kpt #: 87 total cpu time spent up to now is 109.6 secs Computing kpt #: 88 total cpu time spent up to now is 111.0 secs Computing kpt #: 89 total cpu time spent up to now is 112.5 secs Computing kpt #: 90 total cpu time spent up to now is 113.9 secs Computing kpt #: 91 total cpu time spent up to now is 115.4 secs Computing kpt #: 92 total cpu time spent up to now is 116.7 secs Computing kpt #: 93 total cpu time spent up to now is 118.1 secs Computing kpt #: 94 total cpu time spent up to now is 119.6 secs Computing kpt #: 95 total cpu time spent up to now is 121.0 secs Computing kpt #: 96 total cpu time spent up to now is 122.4 secs Computing kpt #: 97 total cpu time spent up to now is 123.8 secs Computing kpt #: 98 total cpu time spent up to now is 125.1 secs Computing kpt #: 99 total cpu time spent up to now is 126.5 secs Computing kpt #: 100 total cpu time spent up to now is 128.0 secs Computing kpt #: 101 total cpu time spent up to now is 129.5 secs Computing kpt #: 102 total cpu time spent up to now is 131.0 secs Computing kpt #: 103 total cpu time spent up to now is 132.5 secs Computing kpt #: 104 total cpu time spent up to now is 133.9 secs Computing kpt #: 105 total cpu time spent up to now is 135.3 secs Computing kpt #: 106 total cpu time spent up to now is 136.8 secs Computing kpt #: 107 total cpu time spent up to now is 138.3 secs Computing kpt #: 108 total cpu time spent up to now is 139.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.6 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.2 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.8 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.3 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.8 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.4 secs Computing kpt #: 116 total cpu time spent up to now is 158.9 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.6 secs Computing kpt #: 118 total cpu time spent up to now is 162.8 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.4 secs Computing kpt #: 120 total cpu time spent up to now is 167.0 secs Computing kpt #: 121 total cpu time spent up to now is 168.6 secs Computing kpt #: 122 total cpu time spent up to now is 170.2 secs Computing kpt #: 123 total cpu time spent up to now is 171.7 secs Computing kpt #: 124 total cpu time spent up to now is 173.2 secs Computing kpt #: 125 total cpu time spent up to now is 174.8 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.5 secs Computing kpt #: 127 total cpu time spent up to now is 179.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 181.8 secs Computing kpt #: 129 total cpu time spent up to now is 183.4 secs Computing kpt #: 130 total cpu time spent up to now is 185.3 secs Computing kpt #: 131 total cpu time spent up to now is 187.6 secs Computing kpt #: 132 total cpu time spent up to now is 189.8 secs Computing kpt #: 133 total cpu time spent up to now is 192.0 secs Computing kpt #: 134 total cpu time spent up to now is 194.5 secs Computing kpt #: 135 total cpu time spent up to now is 196.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.2 secs Computing kpt #: 137 total cpu time spent up to now is 201.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.6 secs Computing kpt #: 139 total cpu time spent up to now is 204.7 secs Computing kpt #: 140 total cpu time spent up to now is 205.7 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.3 secs Computing kpt #: 142 total cpu time spent up to now is 210.2 secs Computing kpt #: 143 total cpu time spent up to now is 211.9 secs Computing kpt #: 144 total cpu time spent up to now is 213.4 secs Computing kpt #: 145 total cpu time spent up to now is 215.3 secs Computing kpt #: 146 total cpu time spent up to now is 216.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.4 secs Computing kpt #: 148 total cpu time spent up to now is 221.4 secs Computing kpt #: 149 total cpu time spent up to now is 223.0 secs Computing kpt #: 150 total cpu time spent up to now is 224.4 secs Computing kpt #: 151 total cpu time spent up to now is 226.0 secs Computing kpt #: 152 total cpu time spent up to now is 227.5 secs Computing kpt #: 153 total cpu time spent up to now is 228.8 secs Computing kpt #: 154 total cpu time spent up to now is 230.1 secs Computing kpt #: 155 total cpu time spent up to now is 231.5 secs Computing kpt #: 156 total cpu time spent up to now is 232.9 secs Computing kpt #: 157 total cpu time spent up to now is 234.2 secs Computing kpt #: 158 total cpu time spent up to now is 235.6 secs Computing kpt #: 159 total cpu time spent up to now is 237.1 secs Computing kpt #: 160 total cpu time spent up to now is 238.6 secs Computing kpt #: 161 total cpu time spent up to now is 240.4 secs Computing kpt #: 162 total cpu time spent up to now is 241.7 secs Computing kpt #: 163 total cpu time spent up to now is 243.0 secs Computing kpt #: 164 total cpu time spent up to now is 244.3 secs Computing kpt #: 165 total cpu time spent up to now is 245.6 secs Computing kpt #: 166 total cpu time spent up to now is 247.1 secs Computing kpt #: 167 total cpu time spent up to now is 248.6 secs Computing kpt #: 168 total cpu time spent up to now is 250.1 secs Computing kpt #: 169 total cpu time spent up to now is 251.7 secs Computing kpt #: 170 total cpu time spent up to now is 253.7 secs Computing kpt #: 171 total cpu time spent up to now is 255.6 secs Computing kpt #: 172 total cpu time spent up to now is 257.6 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.2 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.8 secs Computing kpt #: 175 total cpu time spent up to now is 265.4 secs Computing kpt #: 176 total cpu time spent up to now is 267.2 secs Computing kpt #: 177 total cpu time spent up to now is 268.9 secs Computing kpt #: 178 total cpu time spent up to now is 270.8 secs Computing kpt #: 179 total cpu time spent up to now is 273.2 secs Computing kpt #: 180 total cpu time spent up to now is 275.7 secs Computing kpt #: 181 total cpu time spent up to now is 277.8 secs Computing kpt #: 182 total cpu time spent up to now is 280.0 secs Computing kpt #: 183 total cpu time spent up to now is 282.3 secs Computing kpt #: 184 total cpu time spent up to now is 284.7 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.2 secs Computing kpt #: 186 total cpu time spent up to now is 289.6 secs Computing kpt #: 187 total cpu time spent up to now is 291.8 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.5 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.7 secs Computing kpt #: 191 total cpu time spent up to now is 301.5 secs Computing kpt #: 192 total cpu time spent up to now is 303.2 secs Computing kpt #: 193 total cpu time spent up to now is 304.8 secs Computing kpt #: 194 total cpu time spent up to now is 306.3 secs Computing kpt #: 195 total cpu time spent up to now is 307.8 secs Computing kpt #: 196 total cpu time spent up to now is 309.3 secs Computing kpt #: 197 total cpu time spent up to now is 310.6 secs Computing kpt #: 198 total cpu time spent up to now is 311.9 secs Computing kpt #: 199 total cpu time spent up to now is 313.2 secs Computing kpt #: 200 total cpu time spent up to now is 314.5 secs Computing kpt #: 201 total cpu time spent up to now is 316.0 secs Computing kpt #: 202 total cpu time spent up to now is 317.6 secs Computing kpt #: 203 total cpu time spent up to now is 319.0 secs Computing kpt #: 204 total cpu time spent up to now is 320.5 secs Computing kpt #: 205 total cpu time spent up to now is 322.1 secs Computing kpt #: 206 total cpu time spent up to now is 323.6 secs Computing kpt #: 207 total cpu time spent up to now is 325.0 secs Computing kpt #: 208 total cpu time spent up to now is 326.4 secs Computing kpt #: 209 total cpu time spent up to now is 327.9 secs Computing kpt #: 210 total cpu time spent up to now is 329.6 secs Computing kpt #: 211 total cpu time spent up to now is 331.6 secs Computing kpt #: 212 total cpu time spent up to now is 334.0 secs Computing kpt #: 213 total cpu time spent up to now is 335.5 secs Computing kpt #: 214 total cpu time spent up to now is 337.0 secs Computing kpt #: 215 total cpu time spent up to now is 338.7 secs Computing kpt #: 216 total cpu time spent up to now is 340.7 secs Computing kpt #: 217 total cpu time spent up to now is 342.4 secs Computing kpt #: 218 total cpu time spent up to now is 344.2 secs Computing kpt #: 219 total cpu time spent up to now is 345.9 secs Computing kpt #: 220 total cpu time spent up to now is 347.5 secs Computing kpt #: 221 total cpu time spent up to now is 349.0 secs Computing kpt #: 222 total cpu time spent up to now is 350.5 secs Computing kpt #: 223 total cpu time spent up to now is 351.9 secs Computing kpt #: 224 total cpu time spent up to now is 353.4 secs Computing kpt #: 225 total cpu time spent up to now is 354.9 secs Computing kpt #: 226 total cpu time spent up to now is 356.3 secs Computing kpt #: 227 total cpu time spent up to now is 357.8 secs Computing kpt #: 228 total cpu time spent up to now is 359.3 secs Computing kpt #: 229 total cpu time spent up to now is 360.8 secs Computing kpt #: 230 total cpu time spent up to now is 362.3 secs Computing kpt #: 231 total cpu time spent up to now is 363.8 secs Computing kpt #: 232 total cpu time spent up to now is 365.1 secs Computing kpt #: 233 total cpu time spent up to now is 366.4 secs Computing kpt #: 234 total cpu time spent up to now is 367.9 secs Computing kpt #: 235 total cpu time spent up to now is 369.2 secs Computing kpt #: 236 total cpu time spent up to now is 371.1 secs Computing kpt #: 237 total cpu time spent up to now is 372.7 secs Computing kpt #: 238 total cpu time spent up to now is 374.2 secs Computing kpt #: 239 total cpu time spent up to now is 375.7 secs Computing kpt #: 240 total cpu time spent up to now is 377.3 secs Computing kpt #: 241 total cpu time spent up to now is 378.4 secs Computing kpt #: 242 total cpu time spent up to now is 379.6 secs Computing kpt #: 243 total cpu time spent up to now is 380.7 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.2 secs Computing kpt #: 245 total cpu time spent up to now is 384.7 secs Computing kpt #: 246 total cpu time spent up to now is 386.0 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.5 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.1 secs Computing kpt #: 249 total cpu time spent up to now is 392.8 secs Computing kpt #: 250 total cpu time spent up to now is 394.5 secs Computing kpt #: 251 total cpu time spent up to now is 396.1 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.7 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.1 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.9 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.5 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.2 secs Computing kpt #: 258 total cpu time spent up to now is 414.1 secs Computing kpt #: 259 total cpu time spent up to now is 415.6 secs Computing kpt #: 260 total cpu time spent up to now is 417.1 secs Computing kpt #: 261 total cpu time spent up to now is 419.2 secs Computing kpt #: 262 total cpu time spent up to now is 420.8 secs Computing kpt #: 263 total cpu time spent up to now is 422.3 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.9 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.5 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.9 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 435.5 secs Computing kpt #: 269 total cpu time spent up to now is 436.8 secs Computing kpt #: 270 total cpu time spent up to now is 438.1 secs Computing kpt #: 271 total cpu time spent up to now is 439.4 secs Computing kpt #: 272 total cpu time spent up to now is 440.6 secs Computing kpt #: 273 total cpu time spent up to now is 441.7 secs Computing kpt #: 274 total cpu time spent up to now is 442.8 secs Computing kpt #: 275 total cpu time spent up to now is 443.9 secs Computing kpt #: 276 total cpu time spent up to now is 445.0 secs Computing kpt #: 277 total cpu time spent up to now is 446.2 secs Computing kpt #: 278 total cpu time spent up to now is 447.3 secs Computing kpt #: 279 total cpu time spent up to now is 448.6 secs Computing kpt #: 280 total cpu time spent up to now is 450.0 secs Computing kpt #: 281 total cpu time spent up to now is 451.6 secs Computing kpt #: 282 total cpu time spent up to now is 453.6 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.2 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.8 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.4 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 464.0 secs Computing kpt #: 287 total cpu time spent up to now is 465.0 secs Computing kpt #: 288 total cpu time spent up to now is 466.1 secs Computing kpt #: 289 total cpu time spent up to now is 467.2 secs Computing kpt #: 290 total cpu time spent up to now is 468.3 secs Computing kpt #: 291 total cpu time spent up to now is 469.5 secs Computing kpt #: 292 total cpu time spent up to now is 470.6 secs Computing kpt #: 293 total cpu time spent up to now is 471.8 secs Computing kpt #: 294 total cpu time spent up to now is 472.9 secs Computing kpt #: 295 total cpu time spent up to now is 474.0 secs Computing kpt #: 296 total cpu time spent up to now is 475.3 secs Computing kpt #: 297 total cpu time spent up to now is 476.7 secs Computing kpt #: 298 total cpu time spent up to now is 478.2 secs Computing kpt #: 299 total cpu time spent up to now is 480.0 secs Computing kpt #: 300 total cpu time spent up to now is 482.1 secs Computing kpt #: 301 total cpu time spent up to now is 483.8 secs Computing kpt #: 302 total cpu time spent up to now is 485.3 secs Computing kpt #: 303 total cpu time spent up to now is 486.5 secs Computing kpt #: 304 total cpu time spent up to now is 487.8 secs Computing kpt #: 305 total cpu time spent up to now is 488.9 secs Computing kpt #: 306 total cpu time spent up to now is 490.1 secs Computing kpt #: 307 total cpu time spent up to now is 491.3 secs Computing kpt #: 308 total cpu time spent up to now is 492.5 secs Computing kpt #: 309 total cpu time spent up to now is 493.8 secs Computing kpt #: 310 total cpu time spent up to now is 495.0 secs Computing kpt #: 311 total cpu time spent up to now is 496.3 secs Computing kpt #: 312 total cpu time spent up to now is 497.6 secs Computing kpt #: 313 total cpu time spent up to now is 498.9 secs Computing kpt #: 314 total cpu time spent up to now is 500.2 secs Computing kpt #: 315 total cpu time spent up to now is 501.5 secs Computing kpt #: 316 total cpu time spent up to now is 502.9 secs ethr = 2.08E-08, avg # of iterations = 53.5 total cpu time spent up to now is 502.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7773 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0249 -7.0249 -6.9874 -6.9874 -5.2063 -5.2063 -5.0830 -5.0830 -4.9157 -4.9157 -4.8948 -4.8948 -2.5650 -2.5650 -1.2671 -1.2671 -0.9661 -0.9661 1.7270 1.7270 2.5271 2.5271 3.6383 3.6383 3.8141 3.8141 4.1133 4.1133 4.4354 4.4354 5.2199 5.2199 5.7599 5.7599 6.0787 6.0787 6.3445 6.3445 6.6560 6.6560 6.7941 6.7941 7.1775 7.1775 7.5221 7.5221 8.3844 8.3844 8.7668 8.7668 9.1194 9.1194 9.1401 9.1401 k = 0.0067 0.0172-0.0000 ( 7777 PWs) bands (ev): -20.3178 -20.3178 -20.3155 -20.3155 -7.0250 -7.0250 -6.9876 -6.9876 -5.2061 -5.2061 -5.0829 -5.0829 -4.9165 -4.9165 -4.8956 -4.8956 -2.5634 -2.5634 -1.2661 -1.2661 -0.9651 -0.9651 1.7275 1.7275 2.5270 2.5270 3.6368 3.6368 3.8145 3.8145 4.1142 4.1142 4.4319 4.4319 5.2109 5.2109 5.7595 5.7595 6.0723 6.0723 6.3367 6.3367 6.6448 6.6448 6.7961 6.7961 7.1877 7.1877 7.5289 7.5289 8.3974 8.3974 8.7772 8.7772 9.1160 9.1160 9.1416 9.1416 k = 0.0134 0.0344-0.0000 ( 7781 PWs) bands (ev): -20.3176 -20.3176 -20.3153 -20.3153 -7.0253 -7.0253 -6.9880 -6.9880 -5.2055 -5.2055 -5.0825 -5.0825 -4.9188 -4.9188 -4.8979 -4.8979 -2.5587 -2.5587 -1.2633 -1.2633 -0.9621 -0.9621 1.7292 1.7292 2.5267 2.5267 3.6321 3.6321 3.8156 3.8156 4.1169 4.1169 4.4212 4.4212 5.1850 5.1850 5.7585 5.7585 6.0538 6.0538 6.3139 6.3139 6.6126 6.6126 6.8014 6.8014 7.2182 7.2182 7.5479 7.5479 8.4357 8.4357 8.8077 8.8077 9.1058 9.1058 9.1460 9.1460 k = 0.0201 0.0516-0.0000 ( 7769 PWs) bands (ev): -20.3173 -20.3173 -20.3151 -20.3151 -7.0258 -7.0258 -6.9887 -6.9887 -5.2044 -5.2044 -5.0818 -5.0818 -4.9227 -4.9227 -4.9017 -4.9017 -2.5507 -2.5507 -1.2585 -1.2585 -0.9572 -0.9572 1.7319 1.7319 2.5261 2.5261 3.6240 3.6240 3.8174 3.8174 4.1214 4.1214 4.4033 4.4033 5.1450 5.1450 5.7566 5.7566 6.0249 6.0249 6.2775 6.2775 6.5626 6.5626 6.8075 6.8075 7.2686 7.2686 7.5762 7.5762 8.4976 8.4976 8.8568 8.8568 9.0892 9.0892 9.1530 9.1530 k = 0.0268 0.0688-0.0000 ( 7781 PWs) bands (ev): -20.3170 -20.3170 -20.3147 -20.3147 -7.0265 -7.0265 -6.9897 -6.9897 -5.2029 -5.2029 -5.0808 -5.0808 -4.9281 -4.9281 -4.9070 -4.9070 -2.5397 -2.5397 -1.2517 -1.2517 -0.9503 -0.9503 1.7356 1.7356 2.5252 2.5252 3.6119 3.6119 3.8199 3.8199 4.1276 4.1276 4.3782 4.3782 5.0947 5.0947 5.7536 5.7536 5.9881 5.9881 6.2296 6.2296 6.4987 6.4987 6.8121 6.8121 7.3372 7.3372 7.6098 7.6098 8.5805 8.5805 8.9223 8.9223 9.0667 9.0667 9.1621 9.1621 k = 0.0335 0.0860-0.0000 ( 7773 PWs) bands (ev): -20.3165 -20.3165 -20.3143 -20.3143 -7.0274 -7.0274 -6.9909 -6.9909 -5.2010 -5.2010 -5.0795 -5.0795 -4.9349 -4.9349 -4.9136 -4.9136 -2.5255 -2.5255 -1.2431 -1.2431 -0.9416 -0.9416 1.7402 1.7402 2.5239 2.5239 3.5952 3.5952 3.8228 3.8228 4.1356 4.1356 4.3460 4.3460 5.0384 5.0384 5.7490 5.7490 5.9463 5.9463 6.1725 6.1725 6.4245 6.4245 6.8141 6.8141 7.4211 7.4211 7.6453 7.6453 8.6808 8.6808 9.0015 9.0015 9.0397 9.0397 9.1722 9.1722 k = 0.0402 0.1032-0.0000 ( 7781 PWs) bands (ev): -20.3159 -20.3159 -20.3137 -20.3137 -7.0285 -7.0285 -6.9925 -6.9925 -5.1988 -5.1988 -5.0780 -5.0780 -4.9430 -4.9430 -4.9216 -4.9216 -2.5084 -2.5084 -1.2324 -1.2324 -0.9310 -0.9310 1.7455 1.7455 2.5221 2.5221 3.5731 3.5731 3.8260 3.8260 4.1452 4.1452 4.3067 4.3067 4.9800 4.9800 5.7425 5.7425 5.9020 5.9020 6.1090 6.1090 6.3429 6.3429 6.8130 6.8130 7.5165 7.5165 7.6798 7.6798 8.7933 8.7933 9.0116 9.0116 9.0915 9.0915 9.1786 9.1786 k = 0.0469 0.1204-0.0000 ( 7775 PWs) bands (ev): -20.3153 -20.3153 -20.3131 -20.3131 -7.0298 -7.0298 -6.9943 -6.9943 -5.1962 -5.1962 -5.0763 -5.0763 -4.9524 -4.9524 -4.9307 -4.9307 -2.4882 -2.4882 -1.2199 -1.2199 -0.9188 -0.9188 1.7513 1.7513 2.5196 2.5196 3.5447 3.5447 3.8294 3.8294 4.1564 4.1564 4.2606 4.2606 4.9229 4.9229 5.7332 5.7332 5.8576 5.8576 6.0415 6.0415 6.2564 6.2564 6.8087 6.8087 7.6196 7.6196 7.7107 7.7107 8.8945 8.8945 9.0042 9.0042 9.1243 9.1243 9.1891 9.1891 k = 0.0536 0.1376-0.0000 ( 7775 PWs) bands (ev): -20.3145 -20.3145 -20.3123 -20.3123 -7.0313 -7.0313 -6.9964 -6.9964 -5.1932 -5.1932 -5.0743 -5.0743 -4.9629 -4.9629 -4.9409 -4.9409 -2.4653 -2.4653 -1.2053 -1.2053 -0.9050 -0.9050 1.7574 1.7574 2.5162 2.5162 3.5095 3.5095 3.8326 3.8326 4.1688 4.1688 4.2085 4.2085 4.8700 4.8700 5.7200 5.7200 5.8149 5.8149 5.9728 5.9728 6.1670 6.1670 6.8013 6.8013 7.7231 7.7231 7.7395 7.7395 8.9023 8.9023 9.0355 9.0355 9.0986 9.0986 9.2140 9.2140 k = 0.0603 0.1548-0.0000 ( 7767 PWs) bands (ev): -20.3137 -20.3137 -20.3115 -20.3115 -7.0330 -7.0330 -6.9988 -6.9988 -5.1900 -5.1900 -5.0722 -5.0722 -4.9744 -4.9744 -4.9521 -4.9521 -2.4395 -2.4395 -1.1889 -1.1889 -0.8897 -0.8897 1.7635 1.7635 2.5118 2.5118 3.4668 3.4668 3.8354 3.8354 4.1491 4.1491 4.1845 4.1845 4.8236 4.8236 5.7013 5.7013 5.7752 5.7752 5.9057 5.9057 6.0761 6.0761 6.7907 6.7907 7.7506 7.7506 7.8373 7.8373 8.8676 8.8676 8.9527 8.9527 9.2175 9.2175 9.2501 9.2501 k = 0.0669 0.1720-0.0000 ( 7761 PWs) bands (ev): -20.3128 -20.3128 -20.3106 -20.3106 -7.0349 -7.0349 -7.0014 -7.0014 -5.1865 -5.1865 -5.0699 -5.0699 -4.9867 -4.9867 -4.9641 -4.9641 -2.4110 -2.4110 -1.1704 -1.1704 -0.8731 -0.8731 1.7692 1.7692 2.5061 2.5061 3.4165 3.4165 3.8374 3.8374 4.0869 4.0869 4.1998 4.1998 4.7850 4.7850 5.6755 5.6755 5.7387 5.7387 5.8436 5.8436 5.9853 5.9853 6.7770 6.7770 7.7570 7.7570 7.9439 7.9439 8.8265 8.8265 8.8793 8.8793 9.2348 9.2348 9.3530 9.3530 k = 0.0736 0.1892-0.0000 ( 7763 PWs) bands (ev): -20.3118 -20.3118 -20.3097 -20.3097 -7.0370 -7.0370 -7.0043 -7.0043 -5.1829 -5.1829 -5.0675 -5.0675 -4.9997 -4.9997 -4.9768 -4.9768 -2.3798 -2.3798 -1.1499 -1.1499 -0.8553 -0.8553 1.7742 1.7742 2.4989 2.4989 3.3591 3.3591 3.8382 3.8382 4.0208 4.0208 4.2168 4.2168 4.7549 4.7549 5.6406 5.6406 5.7050 5.7050 5.7897 5.7897 5.8957 5.8957 6.7602 6.7602 7.7507 7.7507 8.0462 8.0462 8.7836 8.7836 8.8184 8.8184 9.2486 9.2486 9.3076 9.3076 k = 0.0803 0.2064-0.0000 ( 7771 PWs) bands (ev): -20.3108 -20.3108 -20.3086 -20.3086 -7.0393 -7.0393 -7.0075 -7.0075 -5.1791 -5.1791 -5.0651 -5.0651 -5.0131 -5.0131 -4.9900 -4.9900 -2.3462 -2.3462 -1.1274 -1.1274 -0.8364 -0.8364 1.7778 1.7778 2.4900 2.4900 3.2950 3.2950 3.8372 3.8372 3.9525 3.9525 4.2352 4.2352 4.7334 4.7334 5.5965 5.5965 5.6741 5.6741 5.7449 5.7449 5.8090 5.8090 6.7402 6.7402 7.7305 7.7305 8.1418 8.1418 8.7411 8.7411 8.7717 8.7717 9.2613 9.2613 9.2642 9.2642 k = 0.0870 0.2236-0.0000 ( 7775 PWs) bands (ev): -20.3097 -20.3097 -20.3076 -20.3076 -7.0418 -7.0418 -7.0109 -7.0109 -5.1752 -5.1752 -5.0629 -5.0629 -5.0266 -5.0266 -5.0035 -5.0035 -2.3100 -2.3100 -1.1030 -1.1030 -0.8168 -0.8168 1.7796 1.7796 2.4791 2.4791 3.2255 3.2255 3.8338 3.8338 3.8834 3.8834 4.2549 4.2549 4.7202 4.7202 5.5461 5.5461 5.6464 5.6464 5.7035 5.7035 5.7290 5.7290 6.7170 6.7170 7.6959 7.6959 8.2287 8.2287 8.7005 8.7005 8.7399 8.7399 9.2186 9.2186 9.2825 9.2825 k = 0.0937 0.2408-0.0000 ( 7783 PWs) bands (ev): -20.3085 -20.3085 -20.3064 -20.3064 -7.0444 -7.0444 -7.0145 -7.0145 -5.1715 -5.1715 -5.0619 -5.0619 -5.0392 -5.0392 -5.0172 -5.0172 -2.2715 -2.2715 -1.0764 -1.0764 -0.7965 -0.7965 1.7788 1.7788 2.4661 2.4661 3.1517 3.1517 3.8150 3.8150 3.8275 3.8275 4.2758 4.2758 4.7145 4.7145 5.4936 5.4936 5.6212 5.6212 5.6407 5.6407 5.6782 5.6782 6.6906 6.6906 7.6478 7.6478 8.3057 8.3057 8.6618 8.6618 8.7233 8.7233 9.1801 9.1801 9.3040 9.3040 k = 0.1004 0.2580-0.0000 ( 7771 PWs) bands (ev): -20.3074 -20.3074 -20.3053 -20.3053 -7.0472 -7.0472 -7.0184 -7.0184 -5.1679 -5.1679 -5.0654 -5.0654 -5.0474 -5.0474 -5.0308 -5.0308 -2.2308 -2.2308 -1.0479 -1.0479 -0.7757 -0.7757 1.7746 1.7746 2.4506 2.4506 3.0749 3.0749 3.7490 3.7490 3.8174 3.8174 4.2978 4.2978 4.7155 4.7155 5.4425 5.4425 5.5680 5.5680 5.5974 5.5974 5.6442 5.6442 6.6610 6.6610 7.5881 7.5881 8.3721 8.3721 8.6254 8.6254 8.7208 8.7208 9.1460 9.1460 9.3289 9.3289 k = 0.1071 0.2752-0.0000 ( 7771 PWs) bands (ev): -20.3061 -20.3061 -20.3040 -20.3040 -7.0501 -7.0501 -7.0225 -7.0225 -5.1648 -5.1648 -5.0761 -5.0761 -5.0485 -5.0485 -5.0439 -5.0439 -2.1879 -2.1879 -1.0173 -1.0173 -0.7549 -0.7549 1.7664 1.7664 2.4325 2.4325 2.9964 2.9964 3.6868 3.6868 3.8028 3.8028 4.3210 4.3210 4.7221 4.7221 5.3947 5.3947 5.5016 5.5016 5.5689 5.5689 5.6161 5.6161 6.6282 6.6282 7.5194 7.5194 8.4278 8.4278 8.5920 8.5920 8.7303 8.7303 9.1162 9.1162 9.3567 9.3567 k = 0.1138 0.2924-0.0000 ( 7777 PWs) bands (ev): -20.3049 -20.3049 -20.3028 -20.3028 -7.0531 -7.0531 -7.0267 -7.0267 -5.1624 -5.1624 -5.0896 -5.0896 -5.0568 -5.0568 -5.0462 -5.0462 -2.1428 -2.1428 -0.9847 -0.9847 -0.7341 -0.7341 1.7532 1.7532 2.4117 2.4117 2.9174 2.9174 3.6300 3.6300 3.7831 3.7831 4.3453 4.3453 4.7334 4.7334 5.3513 5.3513 5.4425 5.4425 5.5328 5.5328 5.5955 5.5955 6.5924 6.5924 7.4441 7.4441 8.4730 8.4730 8.5626 8.5626 8.7494 8.7494 9.0903 9.0903 9.3864 9.3864 k = 0.1205 0.3096-0.0000 ( 7795 PWs) bands (ev): -20.3036 -20.3036 -20.3016 -20.3016 -7.0563 -7.0563 -7.0312 -7.0312 -5.1612 -5.1612 -5.1036 -5.1036 -5.0680 -5.0680 -5.0436 -5.0436 -2.0958 -2.0958 -0.9500 -0.9500 -0.7136 -0.7136 1.7342 1.7342 2.3881 2.3881 2.8391 2.8391 3.5800 3.5800 3.7576 3.7576 4.3706 4.3706 4.7486 4.7486 5.3127 5.3127 5.3919 5.3919 5.4902 5.4902 5.5808 5.5808 6.5537 6.5537 7.3644 7.3644 8.5057 8.5057 8.5407 8.5407 8.7764 8.7764 9.0680 9.0680 9.4165 9.4165 k = 0.1272 0.3268-0.0000 ( 7771 PWs) bands (ev): -20.3023 -20.3023 -20.3003 -20.3003 -7.0596 -7.0596 -7.0357 -7.0357 -5.1615 -5.1615 -5.1176 -5.1176 -5.0774 -5.0774 -5.0409 -5.0409 -2.0468 -2.0468 -0.9133 -0.9133 -0.6939 -0.6939 1.7089 1.7089 2.3615 2.3615 2.7624 2.7624 3.5380 3.5380 3.7258 3.7258 4.3971 4.3971 4.7669 4.7669 5.2789 5.2789 5.3505 5.3505 5.4435 5.4435 5.5696 5.5696 6.5124 6.5124 7.2822 7.2822 8.5058 8.5058 8.5482 8.5482 8.8097 8.8097 9.0488 9.0488 9.4451 9.4451 k = 0.1339 0.3440-0.0000 ( 7765 PWs) bands (ev): -20.3011 -20.3011 -20.2991 -20.2991 -7.0629 -7.0629 -7.0404 -7.0404 -5.1640 -5.1640 -5.1315 -5.1315 -5.0844 -5.0844 -5.0380 -5.0380 -1.9960 -1.9960 -0.8745 -0.8745 -0.6750 -0.6750 1.6766 1.6766 2.3322 2.3322 2.6882 2.6882 3.5049 3.5049 3.6875 3.6875 4.4246 4.4246 4.7877 4.7877 5.2492 5.2492 5.3185 5.3185 5.3948 5.3948 5.5608 5.5608 6.4687 6.4687 7.1988 7.1988 8.4904 8.4904 8.5696 8.5696 8.8480 8.8480 9.0323 9.0323 9.4698 9.4698 k = 0.1406 0.3612-0.0000 ( 7759 PWs) bands (ev): -20.2998 -20.2998 -20.2978 -20.2978 -7.0662 -7.0662 -7.0452 -7.0452 -5.1688 -5.1688 -5.1452 -5.1452 -5.0886 -5.0886 -5.0352 -5.0352 -1.9435 -1.9435 -0.8337 -0.8337 -0.6574 -0.6574 1.6371 1.6371 2.3000 2.3000 2.6175 2.6175 3.4814 3.4814 3.6427 3.6427 4.4530 4.4530 4.8102 4.8102 5.2220 5.2220 5.2956 5.2956 5.3473 5.3473 5.5537 5.5537 6.4228 6.4228 7.1154 7.1154 8.4777 8.4777 8.5886 8.5886 8.8905 8.8905 9.0182 9.0182 9.4884 9.4884 k = 0.1473 0.3784-0.0000 ( 7763 PWs) bands (ev): -20.2986 -20.2986 -20.2966 -20.2966 -7.0696 -7.0696 -7.0500 -7.0500 -5.1754 -5.1754 -5.1587 -5.1587 -5.0904 -5.0904 -5.0325 -5.0325 -1.8893 -1.8893 -0.7910 -0.7910 -0.6413 -0.6413 1.5904 1.5904 2.2653 2.2653 2.5509 2.5509 3.4679 3.4679 3.5916 3.5916 4.4822 4.4822 4.8338 4.8338 5.1932 5.1932 5.2806 5.2806 5.3067 5.3067 5.5479 5.5479 6.3750 6.3750 7.0329 7.0329 8.4693 8.4693 8.6047 8.6047 8.9359 8.9359 9.0065 9.0065 9.4987 9.4987 k = 0.1540 0.3956-0.0000 ( 7759 PWs) bands (ev): -20.2973 -20.2973 -20.2954 -20.2954 -7.0730 -7.0730 -7.0548 -7.0548 -5.1834 -5.1834 -5.1718 -5.1718 -5.0903 -5.0903 -5.0300 -5.0300 -1.8336 -1.8336 -0.7467 -0.7467 -0.6268 -0.6268 1.5368 1.5368 2.2282 2.2282 2.4891 2.4891 3.4643 3.4643 3.5348 3.5348 4.5117 4.5117 4.8580 4.8580 5.1566 5.1566 5.2689 5.2689 5.2841 5.2841 5.5432 5.5432 6.3256 6.3256 6.9519 6.9519 8.4658 8.4658 8.6188 8.6188 8.9777 8.9777 9.0032 9.0032 9.4991 9.4991 k = 0.1607 0.4129-0.0000 ( 7753 PWs) bands (ev): -20.2962 -20.2962 -20.2942 -20.2942 -7.0763 -7.0763 -7.0595 -7.0595 -5.1920 -5.1920 -5.1846 -5.1846 -5.0889 -5.0889 -5.0276 -5.0276 -1.7764 -1.7764 -0.7013 -0.7013 -0.6135 -0.6135 1.4769 1.4769 2.1891 2.1891 2.4327 2.4327 3.4702 3.4702 3.4730 3.4730 4.5407 4.5407 4.8820 4.8820 5.1113 5.1113 5.2597 5.2597 5.2821 5.2821 5.5395 5.5395 6.2749 6.2749 6.8730 6.8730 8.4672 8.4672 8.6320 8.6320 8.9805 8.9805 9.0428 9.0428 9.4886 9.4886 k = 0.1674 0.4301-0.0000 ( 7749 PWs) bands (ev): -20.2950 -20.2950 -20.2931 -20.2931 -7.0796 -7.0796 -7.0642 -7.0642 -5.2007 -5.2007 -5.1969 -5.1969 -5.0867 -5.0867 -5.0255 -5.0255 -1.7180 -1.7180 -0.6575 -0.6575 -0.5993 -0.5993 1.4112 1.4112 2.1481 2.1481 2.3824 2.3824 3.4062 3.4062 3.4858 3.4858 4.5676 4.5676 4.9047 4.9047 5.0633 5.0633 5.2596 5.2596 5.2900 5.2900 5.5366 5.5366 6.2232 6.2232 6.7967 6.7967 8.4737 8.4737 8.6448 8.6448 8.9732 8.9732 9.0962 9.0962 9.4673 9.4673 k = 0.1741 0.4473-0.0000 ( 7765 PWs) bands (ev): -20.2939 -20.2939 -20.2921 -20.2921 -7.0828 -7.0828 -7.0688 -7.0688 -5.2096 -5.2096 -5.2083 -5.2083 -5.0842 -5.0842 -5.0236 -5.0236 -1.6583 -1.6583 -0.6257 -0.6257 -0.5739 -0.5739 1.3405 1.3405 2.1057 2.1057 2.3385 2.3385 3.3360 3.3360 3.5099 3.5099 4.5895 4.5895 4.9234 4.9234 5.0215 5.0215 5.2674 5.2674 5.3045 5.3045 5.5345 5.5345 6.1709 6.1709 6.7235 6.7235 8.4853 8.4853 8.6581 8.6581 8.9662 8.9662 9.1525 9.1525 9.4361 9.4361 k = 0.1808 0.4645-0.0000 ( 7757 PWs) bands (ev): -20.2929 -20.2929 -20.2911 -20.2911 -7.0859 -7.0859 -7.0732 -7.0732 -5.2204 -5.2204 -5.2168 -5.2168 -5.0815 -5.0815 -5.0219 -5.0219 -1.5976 -1.5976 -0.6139 -0.6139 -0.5298 -0.5298 1.2658 1.2658 2.0622 2.0622 2.3014 2.3014 3.2628 3.2628 3.5419 3.5419 4.6011 4.6011 4.9313 4.9313 4.9997 4.9997 5.2813 5.2813 5.3246 5.3246 5.5332 5.5332 6.1182 6.1182 6.6536 6.6536 8.5020 8.5020 8.6723 8.6723 8.9602 8.9602 9.2104 9.2104 9.3966 9.3966 k = 0.1874 0.4817-0.0000 ( 7745 PWs) bands (ev): -20.2920 -20.2920 -20.2901 -20.2901 -7.0890 -7.0890 -7.0773 -7.0773 -5.2311 -5.2311 -5.2241 -5.2241 -5.0789 -5.0789 -5.0206 -5.0206 -1.5359 -1.5359 -0.6123 -0.6123 -0.4767 -0.4767 1.1876 1.1876 2.0181 2.0181 2.2715 2.2715 3.1872 3.1872 3.5814 3.5814 4.5957 4.5957 4.9293 4.9293 5.0046 5.0046 5.3001 5.3001 5.3494 5.3494 5.5328 5.5328 6.0655 6.0655 6.5876 6.5876 8.5237 8.5237 8.6879 8.6879 8.9554 8.9554 9.2670 9.2670 9.3530 9.3530 k = 0.1941 0.4989-0.0000 ( 7741 PWs) bands (ev): -20.2911 -20.2911 -20.2893 -20.2893 -7.0919 -7.0919 -7.0811 -7.0811 -5.2411 -5.2411 -5.2307 -5.2307 -5.0764 -5.0764 -5.0196 -5.0196 -1.4736 -1.4736 -0.6162 -0.6162 -0.4196 -0.4196 1.1069 1.1069 1.9737 1.9737 2.2491 2.2491 3.1099 3.1099 3.6276 3.6276 4.5695 4.5695 4.9369 4.9369 5.0208 5.0208 5.3230 5.3230 5.3781 5.3781 5.5332 5.5332 6.0130 6.0130 6.5260 6.5260 8.5504 8.5504 8.7054 8.7054 8.9521 8.9521 9.2811 9.2811 9.3478 9.3478 k = 0.2008 0.5161-0.0000 ( 7745 PWs) bands (ev): -20.2903 -20.2903 -20.2885 -20.2885 -7.0947 -7.0947 -7.0845 -7.0845 -5.2505 -5.2505 -5.2364 -5.2364 -5.0741 -5.0741 -5.0190 -5.0190 -1.4106 -1.4106 -0.6246 -0.6246 -0.3597 -0.3597 1.0241 1.0241 1.9294 1.9294 2.2341 2.2341 3.0314 3.0314 3.6800 3.6800 4.5253 4.5253 4.9608 4.9608 5.0394 5.0394 5.3496 5.3496 5.4096 5.4096 5.5345 5.5345 5.9611 5.9611 6.4692 6.4692 8.5820 8.5820 8.7250 8.7250 8.9502 8.9502 9.2303 9.2303 9.4048 9.4048 k = 0.2075 0.5333-0.0000 ( 7735 PWs) bands (ev): -20.2895 -20.2895 -20.2878 -20.2878 -7.0975 -7.0975 -7.0875 -7.0875 -5.2591 -5.2591 -5.2414 -5.2414 -5.0722 -5.0722 -5.0187 -5.0187 -1.3473 -1.3473 -0.6370 -0.6370 -0.2972 -0.2972 0.9400 0.9400 1.8857 1.8857 2.2266 2.2266 2.9521 2.9521 3.7380 3.7380 4.4693 4.4693 4.9972 4.9972 5.0579 5.0579 5.3794 5.3794 5.4429 5.4429 5.5368 5.5368 5.9100 5.9100 6.4179 6.4179 8.6183 8.6183 8.7467 8.7467 8.9499 8.9499 9.1711 9.1711 9.4687 9.4687 k = 0.2142 0.5505-0.0000 ( 7741 PWs) bands (ev): -20.2889 -20.2889 -20.2871 -20.2871 -7.1001 -7.1001 -7.0900 -7.0900 -5.2669 -5.2669 -5.2454 -5.2454 -5.0706 -5.0706 -5.0188 -5.0188 -1.2839 -1.2839 -0.6533 -0.6533 -0.2323 -0.2323 0.8551 0.8551 1.8428 1.8428 2.2266 2.2266 2.8724 2.8724 3.8013 3.8013 4.4066 4.4066 5.0413 5.0413 5.0762 5.0762 5.4122 5.4122 5.4768 5.4768 5.5402 5.5402 5.8601 5.8601 6.3731 6.3731 8.6592 8.6592 8.7707 8.7707 8.9514 8.9514 9.1095 9.1095 9.5345 9.5345 k = 0.2209 0.5677-0.0000 ( 7743 PWs) bands (ev): -20.2884 -20.2884 -20.2866 -20.2866 -7.1027 -7.1027 -7.0920 -7.0920 -5.2740 -5.2740 -5.2486 -5.2486 -5.0694 -5.0694 -5.0193 -5.0193 -1.2206 -1.2206 -0.6733 -0.6733 -0.1652 -0.1652 0.7697 0.7697 1.8012 1.8012 2.2338 2.2338 2.7927 2.7927 3.8694 3.8694 4.3403 4.3403 5.0805 5.0805 5.1037 5.1037 5.4475 5.4475 5.5099 5.5099 5.5447 5.5447 5.8118 5.8118 6.3357 6.3357 8.7044 8.7044 8.7964 8.7964 8.9545 8.9545 9.0479 9.0479 9.6015 9.6015 k = 0.2276 0.5849-0.0000 ( 7736 PWs) bands (ev): -20.2879 -20.2879 -20.2862 -20.2862 -7.1050 -7.1050 -7.0934 -7.0934 -5.2802 -5.2802 -5.2508 -5.2508 -5.0687 -5.0687 -5.0202 -5.0202 -1.1577 -1.1577 -0.6965 -0.6965 -0.0958 -0.0958 0.6843 0.6843 1.7611 1.7611 2.2480 2.2480 2.7133 2.7133 3.9420 3.9420 4.2724 4.2724 5.0977 5.0977 5.1553 5.1553 5.4854 5.4854 5.5405 5.5405 5.5504 5.5504 5.7653 5.7653 6.3071 6.3071 8.7538 8.7538 8.8223 8.8223 8.9593 8.9593 8.9889 8.9889 9.6692 9.6692 k = 0.2343 0.6021-0.0000 ( 7740 PWs) bands (ev): -20.2876 -20.2876 -20.2859 -20.2859 -7.1071 -7.1071 -7.0945 -7.0945 -5.2857 -5.2857 -5.2522 -5.2522 -5.0684 -5.0684 -5.0216 -5.0216 -1.0957 -1.0957 -0.7227 -0.7227 -0.0243 -0.0243 0.5993 0.5993 1.7231 1.7231 2.2688 2.2688 2.6345 2.6345 4.0187 4.0187 4.2042 4.2042 5.1086 5.1086 5.2144 5.2144 5.5254 5.5254 5.5574 5.5574 5.5669 5.5669 5.7214 5.7214 6.2887 6.2887 8.8067 8.8067 8.8411 8.8411 8.9405 8.9405 8.9659 8.9659 9.7374 9.7374 k = 0.2410 0.6193-0.0000 ( 7740 PWs) bands (ev): -20.2874 -20.2874 -20.2857 -20.2857 -7.1090 -7.1090 -7.0950 -7.0950 -5.2902 -5.2902 -5.2526 -5.2526 -5.0686 -5.0686 -5.0233 -5.0233 -1.0350 -1.0350 -0.7512 -0.7512 0.0495 0.0495 0.5148 0.5148 1.6873 1.6873 2.2958 2.2958 2.5563 2.5563 4.0978 4.0978 4.1381 4.1381 5.1161 5.1161 5.2766 5.2766 5.5651 5.5651 5.5673 5.5673 5.5873 5.5873 5.6813 5.6813 6.2818 6.2818 8.8247 8.8247 8.8645 8.8645 8.9302 8.9302 8.9738 8.9738 9.8057 9.8057 k = 0.2477 0.6365-0.0000 ( 7750 PWs) bands (ev): -20.2873 -20.2873 -20.2856 -20.2856 -7.1105 -7.1105 -7.0951 -7.0951 -5.2940 -5.2940 -5.2522 -5.2522 -5.0693 -5.0693 -5.0254 -5.0254 -0.9766 -0.9766 -0.7811 -0.7811 0.1254 0.1254 0.4312 0.4312 1.6542 1.6542 2.3285 2.3285 2.4792 2.4792 4.0685 4.0685 4.1853 4.1853 5.1205 5.1205 5.3410 5.3410 5.5752 5.5752 5.5966 5.5966 5.6065 5.6065 5.6523 5.6523 6.2875 6.2875 8.7787 8.7787 8.9233 8.9233 8.9556 8.9556 8.9835 8.9835 9.8737 9.8737 k = 0.2544 0.6537-0.0000 ( 7754 PWs) bands (ev): -20.2872 -20.2872 -20.2855 -20.2855 -7.1117 -7.1117 -7.0949 -7.0949 -5.2969 -5.2969 -5.2508 -5.2508 -5.0706 -5.0706 -5.0279 -5.0279 -0.9237 -0.9237 -0.8093 -0.8093 0.2034 0.2034 0.3487 0.3487 1.6239 1.6239 2.3658 2.3658 2.4037 2.4037 4.0038 4.0038 4.2730 4.2730 5.1218 5.1218 5.4065 5.4065 5.5832 5.5832 5.5910 5.5910 5.6130 5.6130 5.6729 5.6729 6.3059 6.3059 8.7263 8.7263 8.9791 8.9791 8.9880 8.9880 9.0034 9.0034 9.9393 9.9396 k = 0.2611 0.6709-0.0000 ( 7746 PWs) bands (ev): -20.2873 -20.2873 -20.2856 -20.2856 -7.1126 -7.1126 -7.0942 -7.0942 -5.2989 -5.2989 -5.2485 -5.2485 -5.0723 -5.0723 -5.0308 -5.0308 -0.8928 -0.8928 -0.8192 -0.8192 0.2674 0.2674 0.2834 0.2834 1.5967 1.5967 2.3274 2.3274 2.4099 2.4099 3.9411 3.9411 4.3644 4.3644 5.1201 5.1201 5.4714 5.4714 5.5604 5.5604 5.6000 5.6000 5.6101 5.6101 5.7208 5.7208 6.3364 6.3364 8.6748 8.6748 8.9978 8.9978 9.0278 9.0278 9.0591 9.0591 9.8857 9.8857 k = 0.2678 0.6881-0.0000 ( 7746 PWs) bands (ev): -20.2875 -20.2875 -20.2858 -20.2858 -7.1131 -7.1131 -7.0932 -7.0932 -5.3000 -5.3000 -5.2454 -5.2454 -5.0745 -5.0745 -5.0341 -5.0341 -0.9086 -0.9086 -0.7862 -0.7862 0.1875 0.1875 0.3655 0.3655 1.5729 1.5729 2.2540 2.2540 2.4564 2.4564 3.8810 3.8810 4.4591 4.4591 5.1155 5.1155 5.5146 5.5146 5.5547 5.5547 5.6030 5.6030 5.6139 5.6139 5.7747 5.7747 6.3774 6.3774 8.6260 8.6260 9.0066 9.0066 9.0699 9.0699 9.1245 9.1245 9.8359 9.8359 k = 0.2745 0.7053-0.0000 ( 7752 PWs) bands (ev): -20.2878 -20.2878 -20.2861 -20.2861 -7.1132 -7.1132 -7.0918 -7.0918 -5.3003 -5.3003 -5.2414 -5.2414 -5.0773 -5.0773 -5.0376 -5.0376 -0.9421 -0.9421 -0.7393 -0.7393 0.1091 0.1091 0.4495 0.4495 1.5525 1.5525 2.1819 2.1819 2.5068 2.5068 3.8241 3.8241 4.5569 4.5569 5.1082 5.1082 5.4962 5.4962 5.5916 5.5916 5.6122 5.6122 5.6297 5.6297 5.8328 5.8328 6.4274 6.4274 8.5808 8.5808 9.0128 9.0128 9.1119 9.1119 9.1911 9.1911 9.7919 9.7919 k = 0.2812 0.7225-0.0000 ( 7758 PWs) bands (ev): -20.2882 -20.2882 -20.2865 -20.2865 -7.1129 -7.1129 -7.0901 -7.0901 -5.2998 -5.2998 -5.2365 -5.2365 -5.0805 -5.0805 -5.0415 -5.0415 -0.9796 -0.9796 -0.6923 -0.6923 0.0324 0.0324 0.5354 0.5354 1.5358 1.5358 2.1113 2.1113 2.5601 2.5601 3.7707 3.7707 4.6577 4.6577 5.0987 5.0987 5.4724 5.4724 5.5774 5.5774 5.6461 5.6461 5.6769 5.6769 5.8950 5.8950 6.4848 6.4848 8.5398 8.5398 9.0157 9.0157 9.1530 9.1530 9.2557 9.2557 9.7558 9.7558 k = 0.2879 0.7397-0.0000 ( 7762 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0881 -7.0881 -5.2985 -5.2985 -5.2308 -5.2308 -5.0841 -5.0841 -5.0456 -5.0456 -1.0186 -1.0186 -0.6476 -0.6476 -0.0425 -0.0425 0.6232 0.6232 1.5226 1.5226 2.0423 2.0423 2.6157 2.6157 3.7215 3.7215 4.7613 4.7613 5.0873 5.0873 5.4503 5.4503 5.5614 5.5614 5.6646 5.6646 5.7404 5.7404 5.9614 5.9614 6.5480 6.5480 8.5034 8.5034 9.0140 9.0140 9.1921 9.1921 9.3145 9.3145 9.7314 9.7314 k = 0.2879 0.7397-0.0000 ( 7762 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0881 -7.0881 -5.2985 -5.2985 -5.2308 -5.2308 -5.0841 -5.0841 -5.0456 -5.0456 -1.0186 -1.0186 -0.6476 -0.6476 -0.0425 -0.0425 0.6232 0.6232 1.5226 1.5226 2.0423 2.0423 2.6157 2.6157 3.7215 3.7215 4.7613 4.7613 5.0873 5.0873 5.4503 5.4503 5.5614 5.5614 5.6646 5.6646 5.7404 5.7404 5.9614 5.9614 6.5480 6.5480 8.5034 8.5034 9.0140 9.0140 9.1921 9.1921 9.3145 9.3145 9.7314 9.7314 k = 0.2699 0.7397-0.0000 ( 7762 PWs) bands (ev): -20.2885 -20.2885 -20.2868 -20.2868 -7.1125 -7.1125 -7.0889 -7.0889 -5.2989 -5.2989 -5.2330 -5.2330 -5.0827 -5.0827 -5.0440 -5.0440 -1.0056 -1.0056 -0.6629 -0.6629 -0.0172 -0.0172 0.5931 0.5931 1.5264 1.5264 2.0680 2.0680 2.5974 2.5974 3.7397 3.7397 4.7190 4.7190 5.0890 5.0890 5.4570 5.4570 5.5699 5.5699 5.6565 5.6565 5.7166 5.7166 5.9386 5.9386 6.5298 6.5298 8.5143 8.5143 9.0074 9.0074 9.1897 9.1897 9.2882 9.2882 9.7211 9.7211 k = 0.2519 0.7397-0.0000 ( 7758 PWs) bands (ev): -20.2883 -20.2883 -20.2867 -20.2867 -7.1126 -7.1126 -7.0897 -7.0897 -5.2991 -5.2991 -5.2353 -5.2353 -5.0813 -5.0813 -5.0423 -5.0423 -0.9945 -0.9945 -0.6780 -0.6780 0.0062 0.0062 0.5657 0.5657 1.5295 1.5295 2.0970 2.0970 2.5828 2.5828 3.7610 3.7610 4.6670 4.6670 5.0853 5.0853 5.4617 5.4617 5.5831 5.5831 5.6459 5.6459 5.6904 5.6904 5.9190 5.9190 6.5216 6.5216 8.5222 8.5222 8.9908 8.9908 9.2023 9.2023 9.2503 9.2503 9.6832 9.6832 k = 0.2339 0.7397-0.0000 ( 7754 PWs) bands (ev): -20.2882 -20.2882 -20.2865 -20.2865 -7.1126 -7.1126 -7.0904 -7.0904 -5.2989 -5.2989 -5.2378 -5.2378 -5.0799 -5.0799 -5.0405 -5.0405 -0.9852 -0.9852 -0.6927 -0.6927 0.0275 0.0275 0.5411 0.5411 1.5317 1.5317 2.1290 2.1290 2.5720 2.5720 3.7856 3.7856 4.6069 4.6069 5.0756 5.0756 5.4637 5.4637 5.6000 5.6000 5.6334 5.6334 5.6627 5.6627 5.9033 5.9033 6.5230 6.5230 8.5238 8.5238 8.9774 8.9774 9.1888 9.1888 9.2347 9.2347 9.6263 9.6263 k = 0.2159 0.7397-0.0000 ( 7746 PWs) bands (ev): -20.2880 -20.2880 -20.2864 -20.2864 -7.1124 -7.1124 -7.0912 -7.0912 -5.2984 -5.2984 -5.2403 -5.2403 -5.0784 -5.0784 -5.0386 -5.0386 -0.9777 -0.9777 -0.7069 -0.7069 0.0465 0.0465 0.5195 0.5195 1.5327 1.5327 2.1638 2.1638 2.5650 2.5650 3.8133 3.8133 4.5401 4.5401 5.0595 5.0595 5.4618 5.4618 5.6149 5.6149 5.6235 5.6235 5.6361 5.6361 5.8920 5.8920 6.5327 6.5327 8.5151 8.5151 8.9773 8.9773 9.1342 9.1342 9.2544 9.2544 9.5576 9.5576 k = 0.1979 0.7397-0.0000 ( 7745 PWs) bands (ev): -20.2879 -20.2879 -20.2862 -20.2862 -7.1121 -7.1121 -7.0921 -7.0921 -5.2977 -5.2977 -5.2429 -5.2429 -5.0770 -5.0770 -5.0366 -5.0366 -0.9718 -0.9718 -0.7202 -0.7202 0.0629 0.0629 0.5009 0.5009 1.5324 1.5324 2.2010 2.2010 2.5618 2.5618 3.8442 3.8442 4.4686 4.4686 5.0369 5.0369 5.4551 5.4551 5.6022 5.6022 5.6089 5.6089 5.6451 5.6451 5.8854 5.8854 6.5495 6.5495 8.4942 8.4942 8.9938 8.9938 9.0742 9.0742 9.2765 9.2765 9.4820 9.4820 k = 0.1799 0.7397-0.0000 ( 7733 PWs) bands (ev): -20.2878 -20.2878 -20.2861 -20.2861 -7.1117 -7.1117 -7.0929 -7.0929 -5.2967 -5.2967 -5.2456 -5.2456 -5.0756 -5.0756 -5.0347 -5.0347 -0.9675 -0.9675 -0.7325 -0.7325 0.0766 0.0766 0.4855 0.4855 1.5309 1.5309 2.2404 2.2404 2.5619 2.5619 3.8781 3.8781 4.3940 4.3940 5.0075 5.0075 5.4425 5.4425 5.5824 5.5824 5.5922 5.5922 5.6682 5.6682 5.8835 5.8835 6.5720 6.5720 8.4628 8.4628 9.0002 9.0002 9.0387 9.0387 9.2998 9.2998 9.4033 9.4033 k = 0.1619 0.7397-0.0000 ( 7738 PWs) bands (ev): -20.2877 -20.2877 -20.2860 -20.2860 -7.1113 -7.1113 -7.0938 -7.0938 -5.2956 -5.2956 -5.2483 -5.2483 -5.0742 -5.0742 -5.0328 -5.0328 -0.9645 -0.9645 -0.7438 -0.7438 0.0876 0.0876 0.4731 0.4731 1.5283 1.5283 2.2814 2.2814 2.5649 2.5649 3.9152 3.9152 4.3180 4.3180 4.9713 4.9713 5.4246 5.4246 5.5646 5.5646 5.5788 5.5788 5.6920 5.6920 5.8856 5.8856 6.5987 6.5987 8.4245 8.4245 8.9441 8.9441 9.0768 9.0768 9.3216 9.3216 9.3301 9.3301 k = 0.1439 0.7397-0.0000 ( 7738 PWs) bands (ev): -20.2876 -20.2876 -20.2859 -20.2859 -7.1107 -7.1107 -7.0947 -7.0947 -5.2942 -5.2942 -5.2510 -5.2510 -5.0729 -5.0729 -5.0310 -5.0310 -0.9627 -0.9627 -0.7537 -0.7537 0.0961 0.0961 0.4635 0.4635 1.5249 1.5249 2.3234 2.3234 2.5702 2.5702 3.9552 3.9552 4.2423 4.2423 4.9289 4.9289 5.4031 5.4031 5.5509 5.5509 5.5669 5.5669 5.7154 5.7154 5.8910 5.8910 6.6282 6.6282 8.3830 8.3830 8.8856 8.8856 9.1213 9.1213 9.2471 9.2471 9.3650 9.3650 k = 0.1259 0.7397-0.0000 ( 7732 PWs) bands (ev): -20.2875 -20.2875 -20.2858 -20.2858 -7.1101 -7.1101 -7.0956 -7.0956 -5.2927 -5.2927 -5.2537 -5.2537 -5.0717 -5.0717 -5.0292 -5.0292 -0.9620 -0.9620 -0.7624 -0.7624 0.1023 0.1023 0.4565 0.4565 1.5208 1.5208 2.3655 2.3655 2.5771 2.5771 3.9980 3.9980 4.1686 4.1686 4.8807 4.8807 5.3805 5.3805 5.5405 5.5405 5.5565 5.5565 5.7377 5.7377 5.8985 5.8985 6.6590 6.6590 8.3412 8.3412 8.8306 8.8306 9.1536 9.1536 9.1807 9.1807 9.4172 9.4172 k = 0.1079 0.7397-0.0000 ( 7742 PWs) bands (ev): -20.2874 -20.2874 -20.2857 -20.2857 -7.1094 -7.1094 -7.0965 -7.0965 -5.2910 -5.2910 -5.2564 -5.2564 -5.0707 -5.0707 -5.0277 -5.0277 -0.9620 -0.9620 -0.7698 -0.7698 0.1065 0.1065 0.4517 0.4517 1.5165 1.5165 2.4069 2.4069 2.5849 2.5849 4.0434 4.0434 4.0987 4.0987 4.8280 4.8280 5.3591 5.3591 5.5322 5.5322 5.5475 5.5475 5.7583 5.7583 5.9075 5.9075 6.6898 6.6898 8.3014 8.3014 8.7807 8.7807 9.1025 9.1025 9.1928 9.1928 9.4864 9.4864 k = 0.0900 0.7397-0.0000 ( 7735 PWs) bands (ev): -20.2874 -20.2874 -20.2857 -20.2857 -7.1087 -7.1087 -7.0974 -7.0974 -5.2893 -5.2893 -5.2591 -5.2591 -5.0697 -5.0697 -5.0263 -5.0263 -0.9626 -0.9626 -0.7758 -0.7758 0.1092 0.1092 0.4486 0.4486 1.5123 1.5123 2.4461 2.4461 2.5929 2.5929 4.0342 4.0342 4.0909 4.0909 4.7721 4.7721 5.3401 5.3401 5.5256 5.5256 5.5399 5.5399 5.7766 5.7766 5.9168 5.9168 6.7190 6.7190 8.2654 8.2654 8.7367 8.7367 9.0425 9.0425 9.2116 9.2116 9.5698 9.5698 k = 0.0720 0.7397-0.0000 ( 7737 PWs) bands (ev): -20.2873 -20.2873 -20.2856 -20.2856 -7.1080 -7.1080 -7.0983 -7.0983 -5.2875 -5.2875 -5.2616 -5.2616 -5.0689 -5.0689 -5.0251 -5.0251 -0.9635 -0.9635 -0.7807 -0.7807 0.1106 0.1106 0.4468 0.4468 1.5084 1.5084 2.4819 2.4819 2.6003 2.6003 3.9774 3.9774 4.1394 4.1394 4.7148 4.7148 5.3242 5.3242 5.5205 5.5205 5.5334 5.5334 5.7923 5.7923 5.9256 5.9256 6.7454 6.7454 8.2342 8.2342 8.6995 8.6995 8.9906 8.9906 9.2241 9.2241 9.6626 9.6626 k = 0.0540 0.7397-0.0000 ( 7737 PWs) bands (ev): -20.2873 -20.2873 -20.2856 -20.2856 -7.1072 -7.1072 -7.0991 -7.0991 -5.2857 -5.2857 -5.2639 -5.2639 -5.0683 -5.0683 -5.0242 -5.0242 -0.9644 -0.9644 -0.7844 -0.7844 0.1113 0.1113 0.4459 0.4459 1.5051 1.5051 2.5124 2.5124 2.6067 2.6067 3.9301 3.9301 4.1877 4.1877 4.6587 4.6587 5.3117 5.3117 5.5168 5.5168 5.5282 5.5282 5.8049 5.8049 5.9333 5.9333 6.7677 6.7677 8.2090 8.2090 8.6698 8.6698 8.9486 8.9486 9.2324 9.2324 9.7604 9.7604 k = 0.0360 0.7397-0.0000 ( 7741 PWs) bands (ev): -20.2873 -20.2873 -20.2856 -20.2856 -7.1066 -7.1066 -7.0998 -7.0998 -5.2842 -5.2842 -5.2658 -5.2658 -5.0678 -5.0678 -5.0235 -5.0235 -0.9652 -0.9652 -0.7869 -0.7869 0.1116 0.1116 0.4455 0.4455 1.5025 1.5025 2.5360 2.5360 2.6116 2.6116 3.8945 3.8945 4.2326 4.2326 4.6077 4.6077 5.3028 5.3028 5.5143 5.5143 5.5242 5.5242 5.8141 5.8141 5.9393 5.9393 6.7845 6.7845 8.1905 8.1905 8.6482 8.6482 8.9176 8.9176 9.2376 9.2376 9.8583 9.8583 k = 0.0180 0.7397-0.0000 ( 7743 PWs) bands (ev): -20.2872 -20.2872 -20.2855 -20.2855 -7.1061 -7.1061 -7.1003 -7.1003 -5.2831 -5.2831 -5.2672 -5.2672 -5.0675 -5.0675 -5.0231 -5.0231 -0.9658 -0.9658 -0.7884 -0.7884 0.1117 0.1117 0.4453 0.4453 1.5010 1.5010 2.5510 2.5510 2.6145 2.6145 3.8723 3.8723 4.2675 4.2675 4.5688 4.5688 5.2975 5.2975 5.5130 5.5130 5.5217 5.5217 5.8197 5.8197 5.9430 5.9430 6.7950 6.7950 8.1792 8.1792 8.6350 8.6350 8.8987 8.8987 9.2405 9.2405 9.9472 9.9472 k = 0.0000 0.7397-0.0000 ( 7742 PWs) bands (ev): -20.2872 -20.2872 -20.2855 -20.2855 -7.1060 -7.1060 -7.1005 -7.1005 -5.2827 -5.2827 -5.2677 -5.2677 -5.0674 -5.0674 -5.0229 -5.0229 -0.9659 -0.9659 -0.7890 -0.7890 0.1117 0.1117 0.4453 0.4453 1.5004 1.5004 2.5562 2.5562 2.6155 2.6155 3.8648 3.8648 4.2815 4.2815 4.5535 4.5535 5.2957 5.2957 5.5126 5.5126 5.5208 5.5208 5.8216 5.8216 5.9443 5.9443 6.7986 6.7986 8.1754 8.1754 8.6306 8.6306 8.8923 8.8923 9.2415 9.2415 9.9929 9.9930 k = 0.0000 0.7397-0.0000 ( 7742 PWs) bands (ev): -20.2872 -20.2872 -20.2855 -20.2855 -7.1060 -7.1060 -7.1005 -7.1005 -5.2827 -5.2827 -5.2677 -5.2677 -5.0674 -5.0674 -5.0229 -5.0229 -0.9659 -0.9659 -0.7890 -0.7890 0.1117 0.1117 0.4453 0.4453 1.5004 1.5004 2.5562 2.5562 2.6155 2.6155 3.8648 3.8648 4.2815 4.2815 4.5535 4.5535 5.2957 5.2957 5.5126 5.5126 5.5208 5.5208 5.8216 5.8216 5.9443 5.9443 6.7986 6.7986 8.1754 8.1754 8.6306 8.6306 8.8923 8.8923 9.2415 9.2415 9.9929 9.9930 k = 0.0000 0.7397 0.0181 ( 7746 PWs) bands (ev): -20.2872 -20.2872 -20.2855 -20.2855 -7.1059 -7.1059 -7.1005 -7.1005 -5.2826 -5.2826 -5.2677 -5.2677 -5.0673 -5.0673 -5.0230 -5.0230 -0.9653 -0.9653 -0.7891 -0.7891 0.1116 0.1116 0.4428 0.4428 1.5043 1.5043 2.5496 2.5496 2.6226 2.6226 3.8599 3.8599 4.2840 4.2840 4.5539 4.5539 5.2820 5.2820 5.4969 5.4969 5.5264 5.5264 5.8374 5.8374 5.9606 5.9606 6.7932 6.7932 8.1824 8.1824 8.6248 8.6248 8.8930 8.8930 9.2401 9.2401 9.9884 9.9884 k = 0.0000 0.7397 0.0361 ( 7748 PWs) bands (ev): -20.2872 -20.2872 -20.2856 -20.2856 -7.1059 -7.1059 -7.1006 -7.1006 -5.2825 -5.2825 -5.2678 -5.2678 -5.0670 -5.0670 -5.0234 -5.0234 -0.9634 -0.9634 -0.7896 -0.7896 0.1114 0.1114 0.4354 0.4354 1.5157 1.5157 2.5345 2.5345 2.6390 2.6390 3.8455 3.8455 4.2914 4.2914 4.5550 4.5550 5.2450 5.2450 5.4619 5.4619 5.5361 5.5361 5.8804 5.8804 6.0048 6.0048 6.7775 6.7775 8.2028 8.2028 8.6079 8.6079 8.8952 8.8952 9.2361 9.2361 9.9749 9.9749 k = 0.0000 0.7397 0.0542 ( 7738 PWs) bands (ev): -20.2872 -20.2872 -20.2856 -20.2856 -7.1058 -7.1058 -7.1006 -7.1006 -5.2824 -5.2824 -5.2680 -5.2680 -5.0665 -5.0665 -5.0239 -5.0239 -0.9602 -0.9602 -0.7904 -0.7904 0.1111 0.1111 0.4235 0.4235 1.5343 1.5343 2.5159 2.5159 2.6599 2.6599 3.8223 3.8223 4.3036 4.3036 4.5562 4.5562 5.1934 5.1934 5.4157 5.4157 5.5504 5.5504 5.9416 5.9416 6.0677 6.0677 6.7525 6.7525 8.2357 8.2357 8.5815 8.5815 8.8988 8.8988 9.2289 9.2289 9.9532 9.9532 k = 0.0000 0.7397 0.0723 ( 7730 PWs) bands (ev): -20.2872 -20.2872 -20.2856 -20.2856 -7.1057 -7.1057 -7.1007 -7.1007 -5.2822 -5.2822 -5.2682 -5.2682 -5.0658 -5.0658 -5.0247 -5.0247 -0.9559 -0.9559 -0.7916 -0.7916 0.1108 0.1108 0.4078 0.4078 1.5594 1.5594 2.4951 2.4951 2.6838 2.6838 3.7913 3.7913 4.3204 4.3204 4.5571 4.5571 5.1344 5.1344 5.3647 5.3647 5.5698 5.5698 6.0139 6.0139 6.1420 6.1420 6.7193 6.7193 8.2794 8.2794 8.5477 8.5477 8.9039 8.9039 9.2179 9.2179 9.9231 9.9231 k = 0.0000 0.7397 0.0903 ( 7730 PWs) bands (ev): -20.2871 -20.2871 -20.2856 -20.2856 -7.1056 -7.1056 -7.1008 -7.1008 -5.2819 -5.2819 -5.2686 -5.2686 -5.0649 -5.0649 -5.0256 -5.0256 -0.9504 -0.9504 -0.7933 -0.7933 0.1106 0.1106 0.3891 0.3891 1.5901 1.5901 2.4725 2.4725 2.7104 2.7104 3.7538 3.7538 4.3416 4.3416 4.5571 4.5571 5.0725 5.0725 5.3122 5.3122 5.5941 5.5941 6.0925 6.0925 6.2231 6.2231 6.6797 6.6797 8.3319 8.3319 8.5091 8.5091 8.9106 8.9106 9.2020 9.2020 9.8820 9.8820 k = 0.0000 0.7397 0.1084 ( 7732 PWs) bands (ev): -20.2871 -20.2871 -20.2857 -20.2857 -7.1055 -7.1055 -7.1010 -7.1010 -5.2816 -5.2816 -5.2689 -5.2689 -5.0638 -5.0638 -5.0267 -5.0267 -0.9439 -0.9439 -0.7954 -0.7954 0.1107 0.1107 0.3680 0.3680 1.6257 1.6257 2.4481 2.4481 2.7396 2.7396 3.7110 3.7110 4.3667 4.3667 4.5559 4.5559 5.0106 5.0106 5.2601 5.2601 5.6232 5.6232 6.1742 6.1742 6.3079 6.3079 6.6351 6.6351 8.3904 8.3904 8.4690 8.4690 8.9188 8.9188 9.1800 9.1800 9.8240 9.8240 k = 0.0000 0.7397 0.1265 ( 7730 PWs) bands (ev): -20.2870 -20.2870 -20.2857 -20.2857 -7.1053 -7.1053 -7.1011 -7.1011 -5.2812 -5.2812 -5.2694 -5.2694 -5.0626 -5.0626 -5.0281 -5.0281 -0.9365 -0.9365 -0.7980 -0.7980 0.1112 0.1112 0.3455 0.3455 1.6652 1.6652 2.4217 2.4217 2.7715 2.7715 3.6638 3.6638 4.3954 4.3954 4.5535 4.5535 4.9506 4.9506 5.2092 5.2092 5.6568 5.6568 6.2569 6.2569 6.3940 6.3940 6.5871 6.5871 8.4195 8.4195 8.4634 8.4634 8.9285 8.9285 9.1499 9.1499 9.7452 9.7452 k = 0.0000 0.7397 0.1445 ( 7732 PWs) bands (ev): -20.2870 -20.2870 -20.2858 -20.2858 -7.1051 -7.1051 -7.1013 -7.1013 -5.2807 -5.2807 -5.2699 -5.2699 -5.0612 -5.0612 -5.0296 -5.0296 -0.9282 -0.9282 -0.8011 -0.8011 0.1123 0.1123 0.3221 0.3221 1.7079 1.7079 2.3933 2.3933 2.8060 2.8060 3.6133 3.6133 4.4272 4.4272 4.5503 4.5503 4.8937 4.8937 5.1596 5.1596 5.6943 5.6943 6.3379 6.3379 6.4791 6.4791 6.5378 6.5378 8.3839 8.3839 8.5280 8.5280 8.9398 8.9398 9.1100 9.1100 9.6532 9.6532 k = 0.0000 0.7397 0.1626 ( 7734 PWs) bands (ev): -20.2869 -20.2869 -20.2858 -20.2858 -7.1049 -7.1049 -7.1015 -7.1015 -5.2802 -5.2802 -5.2704 -5.2704 -5.0596 -5.0596 -5.0312 -5.0312 -0.9193 -0.9193 -0.8049 -0.8049 0.1141 0.1141 0.2986 0.2986 1.7530 1.7530 2.3626 2.3626 2.8433 2.8433 3.5603 3.5603 4.4613 4.4613 4.5468 4.5468 4.8410 4.8410 5.1112 5.1112 5.7353 5.7353 6.4094 6.4094 6.4936 6.4936 6.5619 6.5619 8.3498 8.3498 8.5968 8.5968 8.9523 8.9523 9.0593 9.0593 9.5606 9.5606 k = 0.0000 0.7397 0.1807 ( 7724 PWs) bands (ev): -20.2869 -20.2869 -20.2859 -20.2859 -7.1047 -7.1047 -7.1017 -7.1017 -5.2797 -5.2797 -5.2710 -5.2710 -5.0579 -5.0579 -5.0330 -5.0330 -0.9099 -0.9099 -0.8094 -0.8094 0.1169 0.1169 0.2755 0.2755 1.8000 1.8000 2.3298 2.3298 2.8832 2.8832 3.5056 3.5056 4.4967 4.4967 4.5440 4.5440 4.7937 4.7937 5.0639 5.0639 5.7794 5.7794 6.4109 6.4109 6.5159 6.5159 6.6381 6.6381 8.3227 8.3227 8.6630 8.6630 8.9641 8.9641 9.0013 9.0013 9.4764 9.4764 k = 0.0000 0.7397 0.1987 ( 7724 PWs) bands (ev): -20.2868 -20.2868 -20.2860 -20.2860 -7.1045 -7.1045 -7.1019 -7.1019 -5.2790 -5.2790 -5.2717 -5.2717 -5.0560 -5.0560 -5.0349 -5.0349 -0.9001 -0.9001 -0.8146 -0.8146 0.1209 0.1209 0.2532 0.2532 1.8480 1.8480 2.2947 2.2947 2.9257 2.9257 3.4498 3.4498 4.5297 4.5297 4.5448 4.5448 4.7531 4.7531 5.0173 5.0173 5.8261 5.8261 6.3616 6.3616 6.5838 6.5838 6.7060 6.7060 8.3054 8.3054 8.7166 8.7166 8.9344 8.9344 8.9868 8.9868 9.4046 9.4046 k = 0.0000 0.7397 0.2168 ( 7730 PWs) bands (ev): -20.2867 -20.2867 -20.2861 -20.2861 -7.1042 -7.1042 -7.1022 -7.1022 -5.2784 -5.2784 -5.2724 -5.2724 -5.0540 -5.0540 -5.0369 -5.0369 -0.8901 -0.8901 -0.8205 -0.8205 0.1262 0.1262 0.2321 0.2321 1.8966 1.8966 2.2574 2.2574 2.9706 2.9706 3.3935 3.3935 4.5390 4.5390 4.5679 4.5679 4.7226 4.7226 4.9713 4.9713 5.8749 5.8749 6.3071 6.3071 6.6508 6.6508 6.7623 6.7623 8.3006 8.3006 8.7254 8.7254 8.9100 8.9100 9.0027 9.0027 9.3462 9.3462 k = 0.0000 0.7397 0.2349 ( 7730 PWs) bands (ev): -20.2866 -20.2866 -20.2861 -20.2861 -7.1040 -7.1040 -7.1024 -7.1024 -5.2777 -5.2777 -5.2731 -5.2731 -5.0520 -5.0520 -5.0390 -5.0390 -0.8801 -0.8801 -0.8272 -0.8272 0.1331 0.1331 0.2125 0.2125 1.9454 1.9454 2.2179 2.2179 3.0179 3.0179 3.3370 3.3370 4.5419 4.5419 4.5889 4.5889 4.7095 4.7095 4.9257 4.9257 5.9255 5.9255 6.2515 6.2515 6.7111 6.7111 6.8043 6.8043 8.3108 8.3108 8.6706 8.6706 8.9411 8.9411 9.0207 9.0207 9.3012 9.3012 k = 0.0000 0.7397 0.2529 ( 7742 PWs) bands (ev): -20.2866 -20.2866 -20.2862 -20.2862 -7.1037 -7.1037 -7.1027 -7.1027 -5.2770 -5.2770 -5.2739 -5.2739 -5.0499 -5.0499 -5.0411 -5.0411 -0.8702 -0.8702 -0.8346 -0.8346 0.1417 0.1417 0.1946 0.1946 1.9937 1.9937 2.1764 2.1764 3.0672 3.0672 3.2810 3.2810 4.5472 4.5472 4.5911 4.5911 4.7222 4.7222 4.8806 4.8806 5.9776 5.9776 6.1958 6.1958 6.7623 6.7623 6.8296 6.8296 8.3376 8.3376 8.5918 8.5918 8.9898 8.9898 9.0383 9.0383 9.2719 9.2719 k = 0.0000 0.7397 0.2710 ( 7744 PWs) bands (ev): -20.2865 -20.2865 -20.2863 -20.2863 -7.1034 -7.1034 -7.1029 -7.1029 -5.2762 -5.2762 -5.2747 -5.2747 -5.0477 -5.0477 -5.0433 -5.0433 -0.8606 -0.8606 -0.8427 -0.8427 0.1520 0.1520 0.1785 0.1785 2.0414 2.0414 2.1329 2.1329 3.1185 3.1185 3.2256 3.2256 4.5557 4.5557 4.5804 4.5804 4.7537 4.7537 4.8362 4.8362 6.0310 6.0310 6.1402 6.1402 6.8020 6.8020 6.8374 6.8374 8.3812 8.3812 8.5122 8.5122 9.0306 9.0306 9.0515 9.0515 9.2653 9.2653 k = 0.0000 0.7397 0.2891 ( 7748 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1032 -7.1032 -7.1032 -7.1032 -5.2754 -5.2754 -5.2754 -5.2754 -5.0455 -5.0455 -5.0455 -5.0455 -0.8514 -0.8514 -0.8514 -0.8514 0.1643 0.1643 0.1643 0.1643 2.0879 2.0879 2.0879 2.0879 3.1714 3.1714 3.1714 3.1714 4.5672 4.5672 4.5672 4.5672 4.7933 4.7933 4.7933 4.7933 6.0852 6.0852 6.0852 6.0852 6.8277 6.8277 6.8277 6.8277 8.4404 8.4404 8.4404 8.4404 9.0515 9.0515 9.0515 9.0515 9.2900 9.2900 k = 0.0000 0.7397 0.2891 ( 7748 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1032 -7.1032 -7.1032 -7.1032 -5.2754 -5.2754 -5.2754 -5.2754 -5.0455 -5.0455 -5.0455 -5.0455 -0.8514 -0.8514 -0.8514 -0.8514 0.1643 0.1643 0.1643 0.1643 2.0879 2.0879 2.0879 2.0879 3.1714 3.1714 3.1714 3.1714 4.5672 4.5672 4.5672 4.5672 4.7933 4.7933 4.7933 4.7933 6.0852 6.0852 6.0852 6.0852 6.8277 6.8277 6.8277 6.8277 8.4404 8.4404 8.4404 8.4404 9.0515 9.0515 9.0515 9.0515 9.2900 9.2900 k = 0.0180 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1042 -7.1042 -7.1021 -7.1021 -5.2781 -5.2781 -5.2727 -5.2727 -5.0459 -5.0459 -5.0454 -5.0454 -0.8551 -0.8551 -0.8472 -0.8472 0.1645 0.1645 0.1654 0.1654 2.0829 2.0829 2.0860 2.0860 3.1738 3.1738 3.1739 3.1739 4.5551 4.5551 4.5619 4.5619 4.8008 4.8008 4.8096 4.8096 6.0825 6.0825 6.0861 6.0861 6.8263 6.8263 6.8290 6.8290 8.4352 8.4352 8.4359 8.4359 9.0368 9.0368 9.0458 9.0458 9.3016 9.3016 k = 0.0360 0.7397 0.2891 ( 7738 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1052 -7.1052 -7.1011 -7.1011 -5.2807 -5.2807 -5.2699 -5.2699 -5.0465 -5.0465 -5.0455 -5.0455 -0.8585 -0.8585 -0.8428 -0.8428 0.1659 0.1659 0.1679 0.1679 2.0713 2.0713 2.0775 2.0775 3.1813 3.1813 3.1814 3.1814 4.5311 4.5311 4.5420 4.5420 4.8292 4.8292 4.8442 4.8442 6.0781 6.0781 6.0850 6.0850 6.8251 6.8251 6.8302 6.8302 8.4209 8.4209 8.4221 8.4221 9.0123 9.0123 9.0255 9.0255 9.3450 9.3450 k = 0.0540 0.7397 0.2891 ( 7740 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1062 -7.1062 -7.1000 -7.1000 -5.2831 -5.2831 -5.2671 -5.2671 -5.0473 -5.0473 -5.0458 -5.0458 -0.8615 -0.8615 -0.8382 -0.8382 0.1686 0.1686 0.1715 0.1715 2.0537 2.0537 2.0628 2.0628 3.1933 3.1933 3.1934 3.1934 4.5018 4.5018 4.5146 4.5146 4.8711 4.8711 4.8903 4.8903 6.0724 6.0724 6.0821 6.0821 6.8235 6.8235 6.8307 6.8307 8.3991 8.3991 8.4002 8.4002 8.9889 8.9889 9.0030 9.0030 9.4059 9.4059 k = 0.0720 0.7397 0.2891 ( 7740 PWs) bands (ev): -20.2865 -20.2865 -20.2865 -20.2865 -7.1071 -7.1071 -7.0990 -7.0990 -5.2854 -5.2854 -5.2642 -5.2642 -5.0484 -5.0484 -5.0462 -5.0462 -0.8641 -0.8641 -0.8334 -0.8334 0.1726 0.1726 0.1764 0.1764 2.0307 2.0307 2.0426 2.0426 3.2095 3.2095 3.2095 3.2095 4.4711 4.4711 4.4847 4.4847 4.9211 4.9211 4.9435 4.9435 6.0661 6.0661 6.0779 6.0779 6.8212 6.8212 6.8299 6.8299 8.3720 8.3720 8.3726 8.3726 8.9714 8.9714 8.9854 8.9854 9.4745 9.4745 k = 0.0900 0.7397 0.2891 ( 7740 PWs) bands (ev): -20.2865 -20.2865 -20.2865 -20.2865 -7.1080 -7.1080 -7.0980 -7.0980 -5.2876 -5.2876 -5.2613 -5.2613 -5.0496 -5.0496 -5.0469 -5.0469 -0.8664 -0.8664 -0.8286 -0.8286 0.1778 0.1778 0.1825 0.1825 2.0033 2.0033 2.0177 2.0177 3.2288 3.2288 3.2292 3.2292 4.4408 4.4408 4.4547 4.4547 4.9760 4.9760 5.0015 5.0015 6.0597 6.0597 6.0728 6.0728 6.8173 6.8173 6.8270 6.8270 8.3417 8.3417 8.3423 8.3423 8.9615 8.9615 8.9750 8.9750 9.5443 9.5443 k = 0.1079 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2866 -20.2866 -20.2866 -20.2866 -7.1088 -7.1088 -7.0970 -7.0970 -5.2897 -5.2897 -5.2584 -5.2584 -5.0511 -5.0511 -5.0477 -5.0477 -0.8685 -0.8685 -0.8239 -0.8239 0.1842 0.1842 0.1896 0.1896 1.9725 1.9725 1.9892 1.9892 3.2510 3.2510 3.2518 3.2518 4.4119 4.4119 4.4257 4.4257 5.0338 5.0338 5.0626 5.0626 6.0542 6.0542 6.0676 6.0676 6.8112 6.8112 6.8212 6.8212 8.3103 8.3103 8.3125 8.3125 8.9594 8.9594 8.9723 8.9723 9.6097 9.6097 k = 0.1259 0.7397 0.2891 ( 7742 PWs) bands (ev): -20.2867 -20.2867 -20.2867 -20.2867 -7.1096 -7.1096 -7.0960 -7.0960 -5.2915 -5.2915 -5.2555 -5.2555 -5.0527 -5.0527 -5.0487 -5.0487 -0.8705 -0.8705 -0.8194 -0.8194 0.1917 0.1917 0.1977 0.1977 1.9393 1.9393 1.9580 1.9580 3.2753 3.2753 3.2766 3.2766 4.3846 4.3846 4.3983 4.3983 5.0929 5.0929 5.1253 5.1253 6.0505 6.0505 6.0630 6.0630 6.8023 6.8023 6.8121 6.8121 8.2806 8.2806 8.2847 8.2847 8.9649 8.9649 8.9771 8.9771 9.6643 9.6643 k = 0.1439 0.7397 0.2891 ( 7742 PWs) bands (ev): -20.2867 -20.2867 -20.2867 -20.2867 -7.1103 -7.1103 -7.0950 -7.0950 -5.2932 -5.2932 -5.2527 -5.2527 -5.0545 -5.0545 -5.0497 -5.0497 -0.8724 -0.8724 -0.8155 -0.8155 0.2003 0.2003 0.2067 0.2067 1.9045 1.9045 1.9251 1.9251 3.3012 3.3012 3.3031 3.3031 4.3593 4.3593 4.3728 4.3728 5.1516 5.1516 5.1881 5.1881 6.0497 6.0497 6.0602 6.0602 6.7902 6.7902 6.7994 6.7994 8.2546 8.2546 8.2606 8.2606 8.9776 8.9776 8.9891 8.9891 9.7014 9.7014 k = 0.1619 0.7397 0.2891 ( 7736 PWs) bands (ev): -20.2868 -20.2868 -20.2868 -20.2868 -7.1109 -7.1109 -7.0941 -7.0941 -5.2947 -5.2947 -5.2498 -5.2498 -5.0564 -5.0564 -5.0508 -5.0508 -0.8744 -0.8744 -0.8121 -0.8121 0.2098 0.2098 0.2165 0.2165 1.8691 1.8691 1.8914 1.8914 3.3285 3.3285 3.3309 3.3309 4.3359 4.3359 4.3491 4.3491 5.2082 5.2082 5.2494 5.2494 6.0527 6.0527 6.0600 6.0600 6.7748 6.7748 6.7831 6.7831 8.2335 8.2335 8.2413 8.2413 8.9974 8.9974 9.0080 9.0080 9.7148 9.7148 k = 0.1799 0.7397 0.2891 ( 7730 PWs) bands (ev): -20.2869 -20.2869 -20.2869 -20.2869 -7.1114 -7.1114 -7.0932 -7.0932 -5.2960 -5.2960 -5.2471 -5.2471 -5.0584 -5.0584 -5.0520 -5.0520 -0.8766 -0.8766 -0.8096 -0.8096 0.2201 0.2201 0.2270 0.2270 1.8340 1.8340 1.8577 1.8577 3.3566 3.3566 3.3596 3.3596 4.3145 4.3145 4.3275 4.3275 5.2607 5.2607 5.3072 5.3072 6.0608 6.0608 6.0639 6.0639 6.7566 6.7566 6.7638 6.7638 8.2179 8.2179 8.2272 8.2272 9.0239 9.0239 9.0334 9.0334 9.7020 9.7020 k = 0.1979 0.7397 0.2891 ( 7728 PWs) bands (ev): -20.2871 -20.2871 -20.2871 -20.2871 -7.1118 -7.1118 -7.0923 -7.0923 -5.2970 -5.2970 -5.2444 -5.2444 -5.0604 -5.0604 -5.0533 -5.0533 -0.8792 -0.8792 -0.8081 -0.8081 0.2311 0.2311 0.2380 0.2380 1.7999 1.7999 1.8249 1.8249 3.3853 3.3853 3.3888 3.3888 4.2951 4.2951 4.3078 4.3078 5.3072 5.3072 5.3594 5.3594 6.0727 6.0727 6.0746 6.0746 6.7364 6.7364 6.7424 6.7424 8.2081 8.2081 8.2186 8.2186 9.0568 9.0568 9.0649 9.0649 9.6657 9.6657 k = 0.2159 0.7397 0.2891 ( 7730 PWs) bands (ev): -20.2872 -20.2872 -20.2872 -20.2872 -7.1121 -7.1121 -7.0914 -7.0914 -5.2978 -5.2978 -5.2418 -5.2418 -5.0624 -5.0624 -5.0545 -5.0545 -0.8824 -0.8824 -0.8078 -0.8078 0.2427 0.2427 0.2494 0.2494 1.7674 1.7674 1.7937 1.7937 3.4143 3.4143 3.4182 3.4182 4.2777 4.2777 4.2901 4.2901 5.3462 5.3462 5.4037 5.4037 6.0873 6.0873 6.0945 6.0945 6.7156 6.7156 6.7205 6.7205 8.2041 8.2041 8.2154 8.2154 9.0954 9.0954 9.1019 9.1019 9.6121 9.6121 k = 0.2339 0.7397 0.2891 ( 7736 PWs) bands (ev): -20.2873 -20.2873 -20.2873 -20.2873 -7.1123 -7.1123 -7.0906 -7.0906 -5.2983 -5.2983 -5.2393 -5.2393 -5.0644 -5.0644 -5.0558 -5.0558 -0.8862 -0.8862 -0.8090 -0.8090 0.2547 0.2547 0.2610 0.2610 1.7373 1.7373 1.7646 1.7646 3.4435 3.4435 3.4476 3.4476 4.2622 4.2622 4.2744 4.2744 5.3764 5.3764 5.4386 5.4386 6.1076 6.1076 6.1197 6.1197 6.6961 6.6961 6.6999 6.6999 8.2056 8.2056 8.2174 8.2174 9.1386 9.1386 9.1432 9.1432 9.5487 9.5487 k = 0.2519 0.7397 0.2891 ( 7738 PWs) bands (ev): -20.2875 -20.2875 -20.2875 -20.2875 -7.1124 -7.1124 -7.0898 -7.0898 -5.2985 -5.2985 -5.2369 -5.2369 -5.0664 -5.0664 -5.0570 -5.0570 -0.8910 -0.8910 -0.8117 -0.8117 0.2671 0.2671 0.2728 0.2728 1.7100 1.7100 1.7383 1.7383 3.4725 3.4725 3.4767 3.4767 4.2488 4.2488 4.2606 4.2606 5.3974 5.3974 5.4632 5.4632 6.1321 6.1321 6.1482 6.1482 6.6800 6.6800 6.6830 6.6830 8.2123 8.2123 8.2242 8.2242 9.1837 9.1837 9.1860 9.1860 9.4830 9.4830 k = 0.2699 0.7397 0.2891 ( 7740 PWs) bands (ev): -20.2877 -20.2877 -20.2877 -20.2877 -7.1123 -7.1123 -7.0890 -7.0890 -5.2984 -5.2984 -5.2346 -5.2346 -5.0682 -5.0682 -5.0582 -5.0582 -0.8968 -0.8968 -0.8162 -0.8162 0.2796 0.2796 0.2845 0.2845 1.6861 1.6861 1.7152 1.7152 3.5012 3.5012 3.5054 3.5054 4.2374 4.2374 4.2489 4.2489 5.4097 5.4097 5.4773 5.4773 6.1582 6.1582 6.1767 6.1767 6.6700 6.6700 6.6724 6.6724 8.2240 8.2240 8.2358 8.2358 9.2233 9.2233 9.2237 9.2237 9.4256 9.4256 k = 0.2879 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2879 -20.2879 -20.2879 -20.2879 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2325 -5.2325 -5.0699 -5.0699 -5.0594 -5.0594 -0.9038 -0.9038 -0.8227 -0.8227 0.2921 0.2921 0.2961 0.2961 1.6661 1.6661 1.6959 1.6959 3.5294 3.5294 3.5333 3.5333 4.2280 4.2280 4.2393 4.2393 5.4142 5.4142 5.4820 5.4820 6.1823 6.1823 6.2015 6.2015 6.6684 6.6684 6.6708 6.6708 8.2405 8.2405 8.2521 8.2521 9.2346 9.2346 9.2362 9.2362 9.3974 9.3974 k = 0.2879 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2879 -20.2879 -20.2879 -20.2879 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2325 -5.2325 -5.0699 -5.0699 -5.0594 -5.0594 -0.9038 -0.9038 -0.8227 -0.8227 0.2921 0.2921 0.2961 0.2961 1.6661 1.6661 1.6959 1.6959 3.5294 3.5294 3.5333 3.5333 4.2280 4.2280 4.2393 4.2393 5.4142 5.4142 5.4820 5.4820 6.1823 6.1823 6.2015 6.2015 6.6684 6.6684 6.6708 6.6708 8.2405 8.2405 8.2521 8.2521 9.2346 9.2346 9.2362 9.2362 9.3974 9.3974 k = 0.2812 0.7225 0.2891 ( 7740 PWs) bands (ev): -20.2874 -20.2874 -20.2874 -20.2874 -7.1127 -7.1127 -7.0903 -7.0903 -5.2993 -5.2993 -5.2379 -5.2379 -5.0655 -5.0655 -5.0563 -5.0563 -0.8847 -0.8847 -0.8044 -0.8044 0.2586 0.2586 0.2652 0.2652 1.7196 1.7196 1.7475 1.7475 3.4514 3.4514 3.4561 3.4561 4.2540 4.2540 4.2658 4.2658 5.4103 5.4103 5.4796 5.4796 6.1175 6.1175 6.1373 6.1373 6.6633 6.6633 6.6647 6.6647 8.1893 8.1893 8.2019 8.2019 9.2603 9.2603 9.2654 9.2654 9.4081 9.4081 k = 0.2745 0.7053 0.2891 ( 7744 PWs) bands (ev): -20.2870 -20.2870 -20.2870 -20.2870 -7.1129 -7.1129 -7.0920 -7.0920 -5.2998 -5.2998 -5.2426 -5.2426 -5.0616 -5.0616 -5.0534 -5.0534 -0.8713 -0.8713 -0.7926 -0.7926 0.2298 0.2298 0.2383 0.2383 1.7779 1.7779 1.8038 1.8038 3.3753 3.3753 3.3806 3.3806 4.2843 4.2843 4.2962 4.2962 5.4041 5.4041 5.4744 5.4744 6.0487 6.0487 6.0685 6.0685 6.6636 6.6636 6.6644 6.6644 8.1438 8.1438 8.1575 8.1575 9.2739 9.2739 9.2818 9.2818 9.4376 9.4376 k = 0.2678 0.6881 0.2891 ( 7742 PWs) bands (ev): -20.2867 -20.2867 -20.2867 -20.2867 -7.1127 -7.1127 -7.0934 -7.0934 -5.2995 -5.2995 -5.2465 -5.2465 -5.0580 -5.0580 -5.0509 -5.0509 -0.8645 -0.8645 -0.7884 -0.7884 0.2072 0.2072 0.2167 0.2167 1.8402 1.8402 1.8642 1.8642 3.3019 3.3019 3.3075 3.3075 4.3183 4.3183 4.3300 4.3300 5.3958 5.3958 5.4671 5.4671 5.9772 5.9772 5.9968 5.9968 6.6671 6.6671 6.6671 6.6671 8.1051 8.1051 8.1202 8.1202 9.2788 9.2788 9.2886 9.2886 9.4818 9.4818 k = 0.2611 0.6709 0.2891 ( 7746 PWs) bands (ev): -20.2865 -20.2865 -20.2865 -20.2865 -7.1122 -7.1122 -7.0945 -7.0945 -5.2984 -5.2984 -5.2495 -5.2495 -5.0550 -5.0550 -5.0487 -5.0487 -0.8652 -0.8652 -0.7926 -0.7926 0.1921 0.1921 0.2016 0.2016 1.9062 1.9062 1.9283 1.9283 3.2317 3.2317 3.2375 3.2375 4.3556 4.3556 4.3668 4.3668 5.3861 5.3861 5.4580 5.4580 5.9041 5.9041 5.9233 5.9233 6.6707 6.6707 6.6716 6.6716 8.0743 8.0743 8.0910 8.0910 9.2799 9.2799 9.2912 9.2912 9.5343 9.5343 k = 0.2544 0.6537 0.2891 ( 7734 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1113 -7.1113 -7.0952 -7.0952 -5.2964 -5.2964 -5.2517 -5.2517 -5.0524 -5.0524 -5.0468 -5.0468 -0.8736 -0.8736 -0.8055 -0.8055 0.1852 0.1852 0.1936 0.1936 1.9754 1.9754 1.9956 1.9956 3.1652 3.1652 3.1711 3.1711 4.3957 4.3957 4.4062 4.4062 5.3752 5.3752 5.4476 5.4476 5.8303 5.8303 5.8490 5.8490 6.6733 6.6733 6.6750 6.6750 8.0523 8.0523 8.0710 8.0710 9.2800 9.2800 9.2928 9.2928 9.5911 9.5911 k = 0.2477 0.6365 0.2891 ( 7726 PWs) bands (ev): -20.2864 -20.2864 -20.2864 -20.2864 -7.1100 -7.1100 -7.0956 -7.0956 -5.2935 -5.2935 -5.2529 -5.2529 -5.0503 -5.0503 -5.0454 -5.0454 -0.8899 -0.8899 -0.8269 -0.8269 0.1862 0.1862 0.1928 0.1928 2.0472 2.0472 2.0657 2.0657 3.1029 3.1029 3.1089 3.1089 4.4383 4.4383 4.4480 4.4480 5.3638 5.3638 5.4364 5.4364 5.7565 5.7565 5.7745 5.7745 6.6732 6.6732 6.6759 6.6759 8.0400 8.0400 8.0608 8.0608 9.2801 9.2801 9.2945 9.2945 9.6497 9.6497 k = 0.2410 0.6193 0.2891 ( 7714 PWs) bands (ev): -20.2865 -20.2865 -20.2865 -20.2865 -7.1083 -7.1083 -7.0956 -7.0956 -5.2898 -5.2898 -5.2533 -5.2533 -5.0486 -5.0486 -5.0443 -5.0443 -0.9136 -0.9136 -0.8561 -0.8561 0.1946 0.1946 0.1990 0.1990 2.1215 2.1215 2.1381 2.1381 3.0453 3.0453 3.0513 3.0513 4.4831 4.4831 4.4918 4.4918 5.3520 5.3520 5.4247 5.4247 5.6834 5.6834 5.7007 5.7007 6.6693 6.6693 6.6731 6.6731 8.0378 8.0378 8.0610 8.0610 9.2804 9.2804 9.2962 9.2962 9.7080 9.7080 k = 0.2343 0.6021 0.2891 ( 7718 PWs) bands (ev): -20.2868 -20.2868 -20.2867 -20.2867 -7.1062 -7.1062 -7.0953 -7.0953 -5.2852 -5.2852 -5.2527 -5.2527 -5.0475 -5.0475 -5.0437 -5.0437 -0.9439 -0.9439 -0.8922 -0.8922 0.2093 0.2093 0.2113 0.2113 2.1976 2.1976 2.2125 2.2125 2.9929 2.9929 2.9989 2.9989 4.5298 4.5298 4.5374 4.5374 5.3404 5.3404 5.4129 5.4129 5.6114 5.6114 5.6280 5.6280 6.6610 6.6610 6.6658 6.6658 8.0458 8.0458 8.0716 8.0716 9.2806 9.2806 9.2978 9.2978 9.7654 9.7654 k = 0.2276 0.5849 0.2891 ( 7726 PWs) bands (ev): -20.2871 -20.2871 -20.2871 -20.2871 -7.1038 -7.1038 -7.0946 -7.0946 -5.2798 -5.2798 -5.2513 -5.2513 -5.0469 -5.0469 -5.0434 -5.0434 -0.9799 -0.9799 -0.9339 -0.9339 0.2286 0.2286 0.2289 0.2289 2.2752 2.2752 2.2883 2.2883 2.9463 2.9463 2.9523 2.9523 4.5781 4.5781 4.5843 4.5843 5.3292 5.3292 5.4013 5.4013 5.5414 5.5414 5.5571 5.5571 6.6480 6.6480 6.6539 6.6539 8.0637 8.0637 8.0922 8.0922 9.2803 9.2803 9.2987 9.2987 9.8208 9.8208 k = 0.2209 0.5677 0.2891 ( 7736 PWs) bands (ev): -20.2875 -20.2875 -20.2875 -20.2875 -7.1010 -7.1010 -7.0935 -7.0935 -5.2736 -5.2736 -5.2489 -5.2489 -5.0468 -5.0468 -5.0436 -5.0436 -1.0206 -1.0206 -0.9800 -0.9800 0.2497 0.2497 0.2522 0.2522 2.3538 2.3538 2.3650 2.3650 2.9061 2.9061 2.9122 2.9122 4.6273 4.6273 4.6320 4.6320 5.3187 5.3187 5.3900 5.3900 5.4740 5.4740 5.4887 5.4887 6.6306 6.6306 6.6374 6.6374 8.0906 8.0906 8.1220 8.1220 9.2789 9.2789 9.2982 9.2982 9.8730 9.8730 k = 0.2142 0.5505 0.2891 ( 7742 PWs) bands (ev): -20.2880 -20.2880 -20.2880 -20.2880 -7.0979 -7.0979 -7.0921 -7.0921 -5.2666 -5.2666 -5.2456 -5.2456 -5.0471 -5.0471 -5.0442 -5.0442 -1.0649 -1.0649 -1.0294 -1.0294 0.2734 0.2734 0.2777 0.2777 2.4323 2.4323 2.4417 2.4417 2.8735 2.8735 2.8796 2.8796 4.6766 4.6766 4.6797 4.6797 5.3090 5.3090 5.3784 5.3784 5.4112 5.4112 5.4238 5.4238 6.6094 6.6094 6.6169 6.6169 8.1254 8.1254 8.1600 8.1600 9.2760 9.2760 9.2957 9.2957 9.9209 9.9210 k = 0.2075 0.5333 0.2891 ( 7746 PWs) bands (ev): -20.2887 -20.2887 -20.2887 -20.2887 -7.0945 -7.0945 -7.0903 -7.0903 -5.2588 -5.2588 -5.2413 -5.2413 -5.0479 -5.0479 -5.0451 -5.0451 -1.1120 -1.1120 -1.0811 -1.0811 0.2986 0.2986 0.3043 0.3043 2.5096 2.5096 2.5169 2.5169 2.8497 2.8497 2.8561 2.8561 4.7250 4.7250 4.7263 4.7263 5.3001 5.3001 5.3464 5.3464 5.3643 5.3643 5.3744 5.3744 6.5849 6.5849 6.5931 6.5931 8.1667 8.1667 8.2047 8.2047 9.2711 9.2711 9.2906 9.2906 9.9625 9.9632 k = 0.2008 0.5161 0.2891 ( 7742 PWs) bands (ev): -20.2894 -20.2894 -20.2894 -20.2894 -7.0908 -7.0908 -7.0883 -7.0883 -5.2502 -5.2502 -5.2362 -5.2362 -5.0491 -5.0491 -5.0464 -5.0464 -1.1611 -1.1611 -1.1345 -1.1345 0.3240 0.3240 0.3308 0.3308 2.5828 2.5828 2.5879 2.5879 2.8376 2.8376 2.8443 2.8443 4.7697 4.7697 4.7702 4.7702 5.2882 5.2882 5.2956 5.2956 5.3161 5.3161 5.3649 5.3649 6.5580 6.5580 6.5667 6.5667 8.2128 8.2128 8.2546 8.2546 9.2642 9.2642 9.2825 9.2825 9.9969 9.9979 k = 0.1941 0.4989 0.2891 ( 7760 PWs) bands (ev): -20.2902 -20.2902 -20.2902 -20.2902 -7.0869 -7.0869 -7.0859 -7.0859 -5.2410 -5.2410 -5.2301 -5.2301 -5.0508 -5.0508 -5.0479 -5.0479 -1.2115 -1.2115 -1.1888 -1.1888 0.3490 0.3490 0.3564 0.3564 2.6465 2.6465 2.6493 2.6493 2.8426 2.8426 2.8497 2.8497 4.8066 4.8066 4.8087 4.8087 5.2538 5.2538 5.2578 5.2578 5.2985 5.2985 5.3584 5.3584 6.5296 6.5296 6.5386 6.5386 8.2616 8.2616 8.3076 8.3076 9.2556 9.2556 9.2718 9.2718 10.0218 10.0224 k = 0.1874 0.4817 0.2891 ( 7752 PWs) bands (ev): -20.2910 -20.2910 -20.2910 -20.2910 -7.0833 -7.0833 -7.0828 -7.0828 -5.2310 -5.2310 -5.2231 -5.2231 -5.0529 -5.0529 -5.0498 -5.0498 -1.2627 -1.2627 -1.2435 -1.2435 0.3725 0.3725 0.3804 0.3804 2.6931 2.6931 2.6944 2.6944 2.8722 2.8722 2.8791 2.8791 4.8321 4.8321 4.8353 4.8353 5.2275 5.2275 5.2287 5.2287 5.2966 5.2966 5.3543 5.3543 6.5005 6.5005 6.5096 6.5096 8.3110 8.3110 8.3616 8.3616 9.2461 9.2461 9.2590 9.2590 10.0398 10.0413 k = 0.1808 0.4645 0.2891 ( 7752 PWs) bands (ev): -20.2920 -20.2920 -20.2920 -20.2920 -7.0804 -7.0804 -7.0786 -7.0786 -5.2205 -5.2205 -5.2153 -5.2153 -5.0553 -5.0553 -5.0519 -5.0519 -1.3141 -1.3141 -1.2982 -1.2982 0.3939 0.3939 0.4019 0.4019 2.7225 2.7225 2.7234 2.7234 2.9262 2.9262 2.9317 2.9317 4.8411 4.8411 4.8442 4.8442 5.2156 5.2156 5.2221 5.2221 5.3016 5.3016 5.3528 5.3528 6.4714 6.4714 6.4805 6.4805 8.3584 8.3584 8.4139 8.4139 9.2374 9.2374 9.2459 9.2459 10.0513 10.0514 k = 0.1741 0.4473 0.2891 ( 7752 PWs) bands (ev): -20.2930 -20.2930 -20.2930 -20.2930 -7.0773 -7.0773 -7.0742 -7.0742 -5.2094 -5.2094 -5.2066 -5.2066 -5.0581 -5.0581 -5.0542 -5.0542 -1.3655 -1.3655 -1.3525 -1.3525 0.4127 0.4127 0.4207 0.4207 2.7447 2.7447 2.7458 2.7458 2.9943 2.9943 2.9979 2.9979 4.8319 4.8319 4.8341 4.8341 5.2184 5.2184 5.2382 5.2382 5.3153 5.3153 5.3553 5.3553 6.4432 6.4432 6.4520 6.4520 8.4006 8.4006 8.4613 8.4613 9.2316 9.2316 9.2348 9.2348 10.0576 10.0577 k = 0.1674 0.4301 0.2891 ( 7752 PWs) bands (ev): -20.2941 -20.2941 -20.2941 -20.2941 -7.0740 -7.0740 -7.0697 -7.0697 -5.1978 -5.1978 -5.1971 -5.1971 -5.0611 -5.0611 -5.0565 -5.0565 -1.4165 -1.4165 -1.4062 -1.4062 0.4286 0.4286 0.4363 0.4363 2.7674 2.7674 2.7688 2.7688 3.0681 3.0681 3.0698 3.0698 4.8081 4.8081 4.8094 4.8094 5.2300 5.2300 5.2687 5.2687 5.3414 5.3414 5.3646 5.3646 6.4164 6.4164 6.4248 6.4248 8.4345 8.4345 8.5001 8.5001 9.2291 9.2291 9.2315 9.2315 10.0600 10.0603 k = 0.1607 0.4129 0.2891 ( 7744 PWs) bands (ev): -20.2952 -20.2952 -20.2952 -20.2952 -7.0706 -7.0706 -7.0651 -7.0651 -5.1869 -5.1869 -5.1860 -5.1860 -5.0644 -5.0644 -5.0588 -5.0588 -1.4669 -1.4669 -1.4589 -1.4589 0.4413 0.4413 0.4486 0.4486 2.7943 2.7943 2.7959 2.7959 3.1432 3.1432 3.1433 3.1433 4.7755 4.7755 4.7764 4.7764 5.2433 5.2433 5.3006 5.3006 5.3817 5.3817 5.3876 5.3876 6.3919 6.3919 6.3996 6.3996 8.4571 8.4571 8.5264 8.5264 9.2322 9.2322 9.2396 9.2396 10.0592 10.0593 k = 0.1540 0.3956 0.2891 ( 7736 PWs) bands (ev): -20.2964 -20.2964 -20.2964 -20.2964 -7.0670 -7.0670 -7.0606 -7.0606 -5.1759 -5.1759 -5.1740 -5.1740 -5.0678 -5.0678 -5.0610 -5.0610 -1.5163 -1.5163 -1.5106 -1.5106 0.4506 0.4506 0.4576 0.4576 2.8265 2.8265 2.8284 2.8284 3.2160 3.2160 3.2178 3.2178 4.7390 4.7390 4.7399 4.7399 5.2560 5.2560 5.3229 5.3229 5.4308 5.4308 5.4336 5.4336 6.3704 6.3704 6.3772 6.3772 8.4663 8.4663 8.5375 8.5375 9.2466 9.2466 9.2576 9.2576 10.0560 10.0560 k = 0.1473 0.3784 0.2891 ( 7748 PWs) bands (ev): -20.2976 -20.2976 -20.2976 -20.2976 -7.0634 -7.0634 -7.0561 -7.0561 -5.1644 -5.1644 -5.1621 -5.1621 -5.0714 -5.0714 -5.0627 -5.0627 -1.5647 -1.5647 -1.5610 -1.5610 0.4568 0.4568 0.4632 0.4632 2.8642 2.8642 2.8665 2.8665 3.2868 3.2868 3.2902 3.2902 4.7018 4.7018 4.7030 4.7030 5.2685 5.2685 5.3379 5.3379 5.4890 5.4890 5.4937 5.4937 6.3526 6.3526 6.3583 6.3583 8.4616 8.4616 8.5326 8.5326 9.2727 9.2727 9.2856 9.2856 10.0506 10.0518 k = 0.1406 0.3612 0.2891 ( 7752 PWs) bands (ev): -20.2988 -20.2988 -20.2988 -20.2988 -7.0597 -7.0597 -7.0516 -7.0516 -5.1523 -5.1523 -5.1508 -5.1508 -5.0749 -5.0749 -5.0636 -5.0636 -1.6119 -1.6119 -1.6099 -1.6099 0.4599 0.4599 0.4657 0.4657 2.9073 2.9073 2.9101 2.9101 3.3545 3.3545 3.3595 3.3595 4.6660 4.6660 4.6676 4.6676 5.2817 5.2817 5.3506 5.3506 5.5551 5.5551 5.5593 5.5593 6.3393 6.3393 6.3437 6.3437 8.4442 8.4442 8.5129 8.5129 9.3086 9.3086 9.3219 9.3219 10.0429 10.0430 k = 0.1339 0.3440 0.2891 ( 7750 PWs) bands (ev): -20.3001 -20.3001 -20.3001 -20.3001 -7.0559 -7.0559 -7.0472 -7.0472 -5.1405 -5.1405 -5.1401 -5.1401 -5.0782 -5.0782 -5.0632 -5.0632 -1.6577 -1.6577 -1.6573 -1.6573 0.4601 0.4601 0.4654 0.4654 2.9552 2.9552 2.9586 2.9586 3.4183 3.4183 3.4248 3.4248 4.6331 4.6331 4.6352 4.6352 5.2959 5.2959 5.3631 5.3631 5.6257 5.6257 5.6284 5.6284 6.3314 6.3314 6.3344 6.3344 8.4162 8.4162 8.4814 8.4814 9.3507 9.3507 9.3634 9.3634 10.0301 10.0304 k = 0.1272 0.3268 0.2891 ( 7746 PWs) bands (ev): -20.3013 -20.3013 -20.3013 -20.3013 -7.0522 -7.0522 -7.0429 -7.0429 -5.1320 -5.1320 -5.1281 -5.1281 -5.0809 -5.0809 -5.0608 -5.0608 -1.7031 -1.7031 -1.7021 -1.7021 0.4577 0.4577 0.4625 0.4625 3.0071 3.0071 3.0112 3.0112 3.4775 3.4775 3.4853 3.4853 4.6043 4.6043 4.6069 4.6069 5.3111 5.3111 5.3760 5.3760 5.6988 5.6988 5.7000 5.7000 6.3298 6.3298 6.3312 6.3312 8.3802 8.3802 8.4411 8.4411 9.3947 9.3947 9.4066 9.4066 10.0131 10.0131 k = 0.1205 0.3096 0.2891 ( 7744 PWs) bands (ev): -20.3026 -20.3026 -20.3026 -20.3026 -7.0485 -7.0485 -7.0388 -7.0388 -5.1260 -5.1260 -5.1175 -5.1175 -5.0818 -5.0818 -5.0559 -5.0559 -1.7470 -1.7470 -1.7448 -1.7448 0.4532 0.4532 0.4575 0.4575 3.0621 3.0621 3.0669 3.0669 3.5316 3.5316 3.5403 3.5403 4.5807 4.5807 4.5837 4.5837 5.3267 5.3267 5.3889 5.3889 5.7731 5.7731 5.7737 5.7737 6.3352 6.3352 6.3353 6.3353 8.3386 8.3386 8.3949 8.3949 9.4367 9.4367 9.4477 9.4477 9.9934 9.9934 k = 0.1138 0.2924 0.2891 ( 7740 PWs) bands (ev): -20.3039 -20.3039 -20.3038 -20.3038 -7.0448 -7.0448 -7.0349 -7.0349 -5.1226 -5.1226 -5.1106 -5.1106 -5.0787 -5.0787 -5.0483 -5.0483 -1.7892 -1.7892 -1.7859 -1.7859 0.4468 0.4468 0.4506 0.4506 3.1192 3.1192 3.1248 3.1248 3.5798 3.5798 3.5892 3.5892 4.5634 4.5634 4.5666 4.5666 5.3424 5.3424 5.4014 5.4014 5.8473 5.8473 5.8495 5.8495 6.3471 6.3471 6.3489 6.3489 8.2932 8.2932 8.3448 8.3448 9.4728 9.4728 9.4832 9.4832 9.9704 9.9704 k = 0.1071 0.2752 0.2891 ( 7744 PWs) bands (ev): -20.3051 -20.3051 -20.3051 -20.3051 -7.0412 -7.0412 -7.0312 -7.0312 -5.1215 -5.1215 -5.1088 -5.1088 -5.0702 -5.0702 -5.0384 -5.0384 -1.8293 -1.8293 -1.8252 -1.8252 0.4388 0.4388 0.4422 0.4422 3.1772 3.1772 3.1835 3.1835 3.6220 3.6220 3.6316 3.6316 4.5533 4.5533 4.5565 4.5565 5.3575 5.3575 5.4128 5.4128 5.9219 5.9219 5.9259 5.9259 6.3678 6.3678 6.3711 6.3711 8.2457 8.2457 8.2927 8.2927 9.4996 9.4996 9.5093 9.5093 9.9434 9.9434 k = 0.1004 0.2580 0.2891 ( 7760 PWs) bands (ev): -20.3063 -20.3063 -20.3063 -20.3063 -7.0377 -7.0377 -7.0277 -7.0277 -5.1220 -5.1220 -5.1103 -5.1103 -5.0582 -5.0582 -5.0270 -5.0270 -1.8675 -1.8675 -1.8626 -1.8626 0.4298 0.4298 0.4328 0.4328 3.2350 3.2350 3.2418 3.2418 3.6580 3.6580 3.6672 3.6672 4.5513 4.5513 4.5543 4.5543 5.3714 5.3714 5.4224 5.4224 5.9967 5.9967 6.0023 6.0023 6.3974 6.3974 6.4021 6.4021 8.1975 8.1975 8.2399 8.2399 9.5133 9.5133 9.5222 9.5222 9.9113 9.9113 k = 0.0937 0.2408 0.2891 ( 7778 PWs) bands (ev): -20.3075 -20.3075 -20.3075 -20.3075 -7.0344 -7.0344 -7.0244 -7.0244 -5.1235 -5.1235 -5.1132 -5.1132 -5.0447 -5.0447 -5.0147 -5.0147 -1.9036 -1.9036 -1.8981 -1.8981 0.4199 0.4199 0.4225 0.4225 3.2912 3.2912 3.2985 3.2985 3.6878 3.6878 3.6960 3.6960 4.5581 4.5581 4.5607 4.5607 5.3836 5.3836 5.4299 5.4299 6.0713 6.0713 6.0786 6.0786 6.4360 6.4360 6.4418 6.4418 8.1496 8.1496 8.1875 8.1875 9.5087 9.5087 9.5165 9.5165 9.8721 9.8721 k = 0.0870 0.2236 0.2891 ( 7774 PWs) bands (ev): -20.3086 -20.3086 -20.3086 -20.3086 -7.0311 -7.0311 -7.0213 -7.0213 -5.1256 -5.1256 -5.1166 -5.1166 -5.0308 -5.0308 -5.0021 -5.0021 -1.9375 -1.9375 -1.9316 -1.9316 0.4095 0.4095 0.4118 0.4118 3.3448 3.3448 3.3520 3.3520 3.7118 3.7118 3.7184 3.7184 4.5741 4.5741 4.5761 4.5761 5.3939 5.3939 5.4349 5.4349 6.1453 6.1453 6.1542 6.1542 6.4829 6.4829 6.4897 6.4897 8.1028 8.1028 8.1364 8.1364 9.4781 9.4781 9.4847 9.4847 9.8235 9.8251 k = 0.0803 0.2064 0.2891 ( 7770 PWs) bands (ev): -20.3097 -20.3097 -20.3097 -20.3097 -7.0280 -7.0280 -7.0186 -7.0186 -5.1281 -5.1281 -5.1201 -5.1201 -5.0168 -5.0168 -4.9895 -4.9895 -1.9692 -1.9692 -1.9630 -1.9630 0.3988 0.3988 0.4008 0.4008 3.3945 3.3945 3.4013 3.4013 3.7307 3.7307 3.7351 3.7351 4.5991 4.5991 4.6007 4.6007 5.4023 5.4023 5.4376 5.4376 6.2183 6.2183 6.2286 6.2286 6.5371 6.5371 6.5448 6.5448 8.0579 8.0579 8.0872 8.0872 9.4140 9.4140 9.4205 9.4205 9.7626 9.7626 k = 0.0736 0.1892 0.2891 ( 7774 PWs) bands (ev): -20.3108 -20.3108 -20.3107 -20.3107 -7.0251 -7.0251 -7.0160 -7.0160 -5.1306 -5.1306 -5.1237 -5.1237 -5.0030 -5.0030 -4.9772 -4.9772 -1.9986 -1.9986 -1.9923 -1.9923 0.3882 0.3882 0.3899 0.3899 3.4394 3.4394 3.4452 3.4452 3.7453 3.7453 3.7472 3.7472 4.6325 4.6325 4.6339 4.6339 5.4090 5.4090 5.4383 5.4383 6.2894 6.2894 6.3010 6.3010 6.5977 6.5977 6.6060 6.6060 8.0154 8.0154 8.0406 8.0406 9.3203 9.3203 9.3283 9.3283 9.7139 9.7142 k = 0.0669 0.1720 0.2891 ( 7768 PWs) bands (ev): -20.3117 -20.3117 -20.3117 -20.3117 -7.0224 -7.0224 -7.0138 -7.0138 -5.1332 -5.1332 -5.1271 -5.1271 -4.9896 -4.9896 -4.9655 -4.9655 -2.0256 -2.0256 -2.0193 -2.0193 0.3778 0.3778 0.3793 0.3793 3.4786 3.4786 3.4830 3.4830 3.7558 3.7558 3.7567 3.7567 4.6734 4.6734 4.6751 4.6751 5.4144 5.4144 5.4374 5.4374 6.3573 6.3573 6.3699 6.3699 6.6636 6.6636 6.6723 6.6723 7.9760 7.9760 7.9972 7.9972 9.2114 9.2114 9.2213 9.2213 9.6679 9.6679 k = 0.0603 0.1548 0.2891 ( 7774 PWs) bands (ev): -20.3126 -20.3126 -20.3126 -20.3126 -7.0198 -7.0198 -7.0118 -7.0118 -5.1357 -5.1357 -5.1303 -5.1303 -4.9767 -4.9767 -4.9545 -4.9545 -2.0502 -2.0502 -2.0441 -2.0441 0.3679 0.3679 0.3691 0.3691 3.5118 3.5118 3.5144 3.5144 3.7621 3.7621 3.7659 3.7659 4.7202 4.7202 4.7227 4.7227 5.4189 5.4189 5.4356 5.4356 6.4203 6.4203 6.4335 6.4335 6.7337 6.7337 6.7426 6.7426 7.9398 7.9398 7.9574 7.9574 9.0997 9.0997 9.1115 9.1115 9.6085 9.6085 k = 0.0536 0.1376 0.2891 ( 7770 PWs) bands (ev): -20.3134 -20.3134 -20.3134 -20.3134 -7.0174 -7.0174 -7.0101 -7.0101 -5.1380 -5.1380 -5.1334 -5.1334 -4.9646 -4.9646 -4.9443 -4.9443 -2.0723 -2.0723 -2.0665 -2.0665 0.3586 0.3586 0.3596 0.3596 3.5387 3.5387 3.5394 3.5394 3.7672 3.7672 3.7735 3.7735 4.7711 4.7711 4.7749 4.7749 5.4232 5.4232 5.4335 5.4335 6.4766 6.4766 6.4900 6.4900 6.8071 6.8071 6.8157 6.8157 7.9074 7.9074 7.9216 7.9216 8.9928 8.9928 9.0060 9.0060 9.5430 9.5431 k = 0.0469 0.1204 0.2891 ( 7774 PWs) bands (ev): -20.3142 -20.3142 -20.3142 -20.3142 -7.0152 -7.0152 -7.0087 -7.0087 -5.1401 -5.1401 -5.1362 -5.1362 -4.9534 -4.9534 -4.9352 -4.9352 -2.0919 -2.0919 -2.0865 -2.0865 0.3500 0.3500 0.3509 0.3509 3.5584 3.5584 3.5595 3.5595 3.7720 3.7720 3.7801 3.7801 4.8238 4.8238 4.8294 4.8294 5.4278 5.4278 5.4319 5.4319 6.5244 6.5244 6.5375 6.5375 6.8824 6.8824 6.8905 6.8905 7.8788 7.8788 7.8901 7.8901 8.8951 8.8951 8.9095 8.9095 9.4750 9.4750 k = 0.0402 0.1032 0.2891 ( 7770 PWs) bands (ev): -20.3148 -20.3148 -20.3148 -20.3148 -7.0133 -7.0133 -7.0075 -7.0075 -5.1420 -5.1420 -5.1387 -5.1387 -4.9432 -4.9432 -4.9273 -4.9273 -2.1089 -2.1089 -2.1041 -2.1041 0.3424 0.3424 0.3431 0.3431 3.5723 3.5723 3.5746 3.5746 3.7768 3.7768 3.7859 3.7859 4.8761 4.8761 4.8837 4.8837 5.4314 5.4314 5.4329 5.4329 6.5625 6.5625 6.5750 6.5750 6.9578 6.9578 6.9652 6.9652 7.8539 7.8539 7.8628 7.8628 8.8095 8.8095 8.8247 8.8247 9.4074 9.4074 k = 0.0335 0.0860 0.2891 ( 7782 PWs) bands (ev): -20.3154 -20.3154 -20.3154 -20.3154 -7.0115 -7.0115 -7.0066 -7.0066 -5.1436 -5.1436 -5.1409 -5.1409 -4.9341 -4.9341 -4.9206 -4.9206 -2.1233 -2.1233 -2.1191 -2.1191 0.3357 0.3357 0.3363 0.3363 3.5820 3.5820 3.5850 3.5850 3.7818 3.7818 3.7910 3.7910 4.9255 4.9255 4.9348 4.9348 5.4327 5.4327 5.4388 5.4388 6.5908 6.5908 6.6022 6.6022 7.0310 7.0310 7.0374 7.0374 7.8326 7.8326 7.8396 7.8396 8.7380 8.7380 8.7534 8.7534 9.3427 9.3427 k = 0.0268 0.0688 0.2891 ( 7790 PWs) bands (ev): -20.3158 -20.3158 -20.3158 -20.3158 -7.0100 -7.0100 -7.0060 -7.0060 -5.1449 -5.1449 -5.1427 -5.1427 -4.9262 -4.9262 -4.9153 -4.9153 -2.1351 -2.1351 -2.1316 -2.1316 0.3302 0.3302 0.3307 0.3307 3.5885 3.5885 3.5916 3.5916 3.7868 3.7868 3.7951 3.7951 4.9696 4.9696 4.9799 4.9799 5.4361 5.4361 5.4452 5.4452 6.6098 6.6098 6.6198 6.6198 7.0990 7.0990 7.1043 7.1043 7.8145 7.8145 7.8199 7.8199 8.6817 8.6817 8.6963 8.6963 9.2839 9.2839 k = 0.0201 0.0516 0.2891 ( 7794 PWs) bands (ev): -20.3162 -20.3162 -20.3162 -20.3162 -7.0086 -7.0086 -7.0057 -7.0057 -5.1459 -5.1459 -5.1443 -5.1443 -4.9197 -4.9197 -4.9114 -4.9114 -2.1441 -2.1441 -2.1414 -2.1414 0.3258 0.3258 0.3262 0.3262 3.5928 3.5928 3.5956 3.5956 3.7914 3.7914 3.7982 3.7982 5.0064 5.0064 5.0164 5.0164 5.4415 5.4415 5.4515 5.4515 6.6213 6.6213 6.6294 6.6294 7.1585 7.1585 7.1626 7.1626 7.7993 7.7993 7.8034 7.8034 8.6406 8.6406 8.6533 8.6533 9.2341 9.2341 k = 0.0134 0.0344 0.2891 ( 7786 PWs) bands (ev): -20.3165 -20.3165 -20.3165 -20.3165 -7.0075 -7.0075 -7.0055 -7.0055 -5.1465 -5.1465 -5.1454 -5.1454 -4.9145 -4.9145 -4.9089 -4.9089 -2.1505 -2.1505 -2.1486 -2.1486 0.3227 0.3227 0.3229 0.3229 3.5956 3.5956 3.5976 3.5976 3.7953 3.7953 3.8001 3.8001 5.0345 5.0345 5.0424 5.0424 5.4480 5.4480 5.4565 5.4565 6.6276 6.6276 6.6333 6.6333 7.2056 7.2056 7.2083 7.2083 7.7875 7.7875 7.7903 7.7903 8.6138 8.6138 8.6234 8.6234 9.1964 9.1964 k = 0.0067 0.0172 0.2891 ( 7782 PWs) bands (ev): -20.3166 -20.3166 -20.3166 -20.3166 -7.0067 -7.0067 -7.0057 -7.0057 -5.1468 -5.1468 -5.1463 -5.1463 -4.9108 -4.9108 -4.9080 -4.9080 -2.1541 -2.1541 -2.1532 -2.1532 0.3208 0.3208 0.3209 0.3209 3.5972 3.5972 3.5983 3.5983 3.7982 3.7982 3.8007 3.8007 5.0527 5.0527 5.0571 5.0571 5.4541 5.4541 5.4590 5.4590 6.6308 6.6308 6.6338 6.6338 7.2363 7.2363 7.2376 7.2376 7.7799 7.7799 7.7813 7.7813 8.6000 8.6000 8.6052 8.6052 9.1739 9.1747 k = 0.0000 0.0000 0.2891 ( 7784 PWs) bands (ev): -20.3167 -20.3167 -20.3167 -20.3167 -7.0061 -7.0061 -7.0061 -7.0061 -5.1467 -5.1467 -5.1467 -5.1467 -4.9087 -4.9087 -4.9087 -4.9087 -2.1550 -2.1550 -2.1550 -2.1550 0.3202 0.3202 0.3202 0.3202 3.5981 3.5981 3.5981 3.5981 3.8001 3.8001 3.8001 3.8001 5.0604 5.0604 5.0604 5.0604 5.4582 5.4582 5.4582 5.4582 6.6327 6.6327 6.6327 6.6327 7.2474 7.2474 7.2474 7.2474 7.7777 7.7777 7.7777 7.7777 8.5974 8.5974 8.5974 8.5974 9.1686 9.1686 k = 0.0000 0.0000 0.2891 ( 7784 PWs) bands (ev): -20.3167 -20.3167 -20.3167 -20.3167 -7.0061 -7.0061 -7.0061 -7.0061 -5.1467 -5.1467 -5.1467 -5.1467 -4.9087 -4.9087 -4.9087 -4.9087 -2.1550 -2.1550 -2.1550 -2.1550 0.3202 0.3202 0.3202 0.3202 3.5981 3.5981 3.5981 3.5981 3.8001 3.8001 3.8001 3.8001 5.0604 5.0604 5.0604 5.0604 5.4582 5.4582 5.4582 5.4582 6.6327 6.6327 6.6327 6.6327 7.2474 7.2474 7.2474 7.2474 7.7777 7.7777 7.7777 7.7777 8.5974 8.5974 8.5974 8.5974 9.1686 9.1686 k = 0.0000 0.0000 0.2710 ( 7790 PWs) bands (ev): -20.3168 -20.3168 -20.3166 -20.3166 -7.0079 -7.0079 -7.0042 -7.0042 -5.1528 -5.1528 -5.1406 -5.1406 -4.9096 -4.9096 -4.9077 -4.9077 -2.2017 -2.2017 -2.1060 -2.1060 0.2221 0.2221 0.4194 0.4194 3.5580 3.5580 3.6312 3.6312 3.7837 3.7837 3.8186 3.8186 4.9736 4.9736 5.1531 5.1531 5.4290 5.4290 5.4893 5.4893 6.5458 6.5458 6.7203 6.7203 7.1948 7.1948 7.2955 7.2955 7.7013 7.7013 7.8558 7.8558 8.5863 8.5863 8.6066 8.6066 9.1605 9.1608 k = 0.0000 0.0000 0.2529 ( 7790 PWs) bands (ev): -20.3169 -20.3169 -20.3165 -20.3165 -7.0097 -7.0097 -7.0024 -7.0024 -5.1587 -5.1587 -5.1345 -5.1345 -4.9104 -4.9104 -4.9067 -4.9067 -2.2461 -2.2461 -2.0548 -2.0548 0.1251 0.1251 0.5196 0.5196 3.5108 3.5108 3.6572 3.6572 3.7704 3.7704 3.8390 3.8390 4.8936 4.8936 5.2509 5.2509 5.4018 5.4018 5.5223 5.5223 6.4604 6.4604 6.8073 6.8073 7.1385 7.1385 7.3388 7.3388 7.6271 7.6271 7.9349 7.9349 8.5737 8.5737 8.6135 8.6135 9.1614 9.1614 k = 0.0000 0.0000 0.2349 ( 7782 PWs) bands (ev): -20.3170 -20.3170 -20.3164 -20.3164 -7.0115 -7.0115 -7.0006 -7.0006 -5.1645 -5.1645 -5.1285 -5.1285 -4.9111 -4.9111 -4.9057 -4.9057 -2.2879 -2.2879 -2.0015 -2.0015 0.0295 0.0295 0.6206 0.6206 3.4561 3.4561 3.6753 3.6753 3.7615 3.7615 3.8608 3.8608 4.8209 4.8209 5.3528 5.3528 5.3766 5.3766 5.5573 5.5573 6.3773 6.3773 6.8920 6.8920 7.0791 7.0791 7.3768 7.3768 7.5557 7.5557 8.0142 8.0142 8.5602 8.5602 8.6185 8.6185 9.1715 9.1715 k = 0.0000 0.0000 0.2168 ( 7792 PWs) bands (ev): -20.3171 -20.3171 -20.3163 -20.3163 -7.0132 -7.0132 -6.9989 -6.9989 -5.1701 -5.1701 -5.1226 -5.1226 -4.9118 -4.9118 -4.9046 -4.9046 -2.3272 -2.3272 -1.9463 -1.9463 -0.0649 -0.0649 0.7224 0.7224 3.3941 3.3941 3.6844 3.6844 3.7589 3.7589 3.8839 3.8839 4.7557 4.7557 5.3531 5.3531 5.4582 5.4582 5.5941 5.5941 6.2973 6.2973 6.9717 6.9717 7.0180 7.0180 7.4089 7.4089 7.4880 7.4880 8.0928 8.0928 8.5468 8.5468 8.6224 8.6224 9.1906 9.1906 k = 0.0000 0.0000 0.1987 ( 7790 PWs) bands (ev): -20.3172 -20.3172 -20.3162 -20.3162 -7.0149 -7.0149 -6.9972 -6.9972 -5.1755 -5.1755 -5.1170 -5.1170 -4.9125 -4.9125 -4.9035 -4.9035 -2.3639 -2.3639 -1.8891 -1.8891 -0.1579 -0.1579 0.8247 0.8247 3.3251 3.3251 3.6851 3.6851 3.7627 3.7627 3.9080 3.9080 4.6983 4.6983 5.3317 5.3317 5.5658 5.5658 5.6329 5.6329 6.2208 6.2208 6.9523 6.9523 7.0471 7.0471 7.4175 7.4175 7.4422 7.4422 8.1694 8.1694 8.5344 8.5344 8.6269 8.6269 9.2183 9.2183 k = 0.0000 0.0000 0.1807 ( 7786 PWs) bands (ev): -20.3173 -20.3173 -20.3161 -20.3161 -7.0165 -7.0165 -6.9957 -6.9957 -5.1805 -5.1805 -5.1116 -5.1116 -4.9130 -4.9130 -4.9023 -4.9023 -2.3977 -2.3977 -1.8302 -1.8302 -0.2494 -0.2494 0.9273 0.9273 3.2495 3.2495 3.6806 3.6806 3.7700 3.7700 3.9327 3.9327 4.6482 4.6482 5.3122 5.3122 5.6707 5.6707 5.6779 5.6779 6.1484 6.1484 6.8875 6.8875 7.1100 7.1100 7.3612 7.3612 7.4610 7.4610 8.2418 8.2418 8.5248 8.5248 8.6349 8.6349 9.2540 9.2540 k = 0.0000 0.0000 0.1626 ( 7780 PWs) bands (ev): -20.3174 -20.3174 -20.3160 -20.3160 -7.0180 -7.0180 -6.9942 -6.9942 -5.1851 -5.1851 -5.1065 -5.1065 -4.9136 -4.9136 -4.9012 -4.9012 -2.4287 -2.4287 -1.7697 -1.7697 -0.3394 -0.3394 1.0298 1.0298 3.1685 3.1685 3.6741 3.6741 3.7782 3.7782 3.9578 3.9578 4.6049 4.6049 5.2946 5.2946 5.7154 5.7154 5.7860 5.7860 6.0805 6.0805 6.8217 6.8217 7.1573 7.1573 7.3086 7.3086 7.4783 7.4783 8.3065 8.3065 8.5212 8.5212 8.6499 8.6499 9.2978 9.3083 k = 0.0000 0.0000 0.1445 ( 7794 PWs) bands (ev): -20.3175 -20.3175 -20.3159 -20.3159 -7.0194 -7.0194 -6.9929 -6.9929 -5.1894 -5.1894 -5.1019 -5.1019 -4.9140 -4.9140 -4.9001 -4.9001 -2.4568 -2.4568 -1.7077 -1.7077 -0.4276 -0.4276 1.1319 1.1319 3.0830 3.0830 3.6673 3.6673 3.7859 3.7859 3.9829 3.9829 4.5679 4.5679 5.2788 5.2788 5.7593 5.7593 5.8965 5.8965 6.0179 6.0179 6.7556 6.7556 7.1774 7.1774 7.2712 7.2712 7.4919 7.4919 8.3569 8.3569 8.5294 8.5294 8.6755 8.6755 9.2715 9.2715 k = 0.0000 0.0000 0.1265 ( 7800 PWs) bands (ev): -20.3176 -20.3176 -20.3158 -20.3158 -7.0206 -7.0206 -6.9916 -6.9916 -5.1933 -5.1933 -5.0976 -5.0976 -4.9144 -4.9144 -4.8990 -4.8990 -2.4817 -2.4817 -1.6444 -1.6444 -0.5140 -0.5140 1.2329 1.2329 2.9946 2.9946 3.6607 3.6607 3.7928 3.7928 4.0075 4.0075 4.5364 4.5364 5.2650 5.2650 5.8047 5.8047 5.9603 5.9603 6.0073 6.0073 6.6900 6.6900 7.1571 7.1571 7.2604 7.2604 7.5020 7.5020 8.3860 8.3860 8.5559 8.5559 8.7146 8.7146 9.2371 9.2371 k = 0.0000 0.0000 0.1084 ( 7800 PWs) bands (ev): -20.3176 -20.3176 -20.3157 -20.3157 -7.0217 -7.0217 -6.9905 -6.9905 -5.1967 -5.1967 -5.0939 -5.0939 -4.9148 -4.9148 -4.8980 -4.8980 -2.5036 -2.5036 -1.5801 -1.5801 -0.5982 -0.5982 1.3318 1.3318 2.9048 2.9048 3.6549 3.6549 3.7986 3.7986 4.0312 4.0312 4.5098 4.5098 5.2530 5.2530 5.8512 5.8512 5.9097 5.9097 6.1164 6.1164 6.6252 6.6252 7.1152 7.1152 7.2572 7.2572 7.5093 7.5093 8.3962 8.3962 8.5968 8.5968 8.7685 8.7685 9.2063 9.2063 k = 0.0000 0.0000 0.0903 ( 7783 PWs) bands (ev): -20.3177 -20.3177 -20.3157 -20.3157 -7.0227 -7.0227 -6.9896 -6.9896 -5.1996 -5.1996 -5.0906 -5.0906 -4.9150 -4.9150 -4.8971 -4.8971 -2.5222 -2.5222 -1.5153 -1.5153 -0.6798 -0.6798 1.4274 1.4274 2.8159 2.8159 3.6498 3.6498 3.8035 3.8035 4.0533 4.0533 4.4875 4.4875 5.2429 5.2429 5.8650 5.8650 5.8989 5.8989 6.2240 6.2240 6.5620 6.5620 7.0670 7.0670 7.2470 7.2470 7.5143 7.5143 8.3969 8.3969 8.6420 8.6420 8.8361 8.8361 9.1799 9.1799 k = 0.0000 0.0000 0.0723 ( 7781 PWs) bands (ev): -20.3177 -20.3177 -20.3156 -20.3156 -7.0234 -7.0234 -6.9888 -6.9888 -5.2020 -5.2020 -5.0879 -5.0879 -4.9153 -4.9153 -4.8963 -4.8963 -2.5375 -2.5375 -1.4507 -1.4507 -0.7581 -0.7581 1.5174 1.5174 2.7304 2.7304 3.6457 3.6457 3.8074 3.8074 4.0731 4.0731 4.4692 4.4692 5.2346 5.2346 5.8280 5.8280 5.9461 5.9461 6.3292 6.3292 6.5015 6.5015 7.0149 7.0149 7.2300 7.2300 7.5177 7.5177 8.3940 8.3940 8.6840 8.6840 8.9139 8.9139 9.1581 9.1581 k = 0.0000 0.0000 0.0542 ( 7779 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0241 -7.0241 -6.9882 -6.9882 -5.2039 -5.2039 -5.0858 -5.0858 -4.9155 -4.9155 -4.8957 -4.8957 -2.5495 -2.5495 -1.3880 -1.3880 -0.8315 -0.8315 1.5984 1.5984 2.6524 2.6524 3.6424 3.6424 3.8103 3.8103 4.0897 4.0897 4.4547 4.4547 5.2282 5.2282 5.7986 5.7986 5.9922 5.9922 6.4294 6.4294 6.4462 6.4462 6.9579 6.9579 7.2105 7.2105 7.5199 7.5199 8.3903 8.3903 8.7191 8.7191 8.9949 8.9949 9.1411 9.1411 k = 0.0000 0.0000 0.0361 ( 7781 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0245 -7.0245 -6.9878 -6.9878 -5.2052 -5.2052 -5.0843 -5.0843 -4.9156 -4.9156 -4.8952 -4.8952 -2.5581 -2.5581 -1.3304 -1.3304 -0.8968 -0.8968 1.6653 1.6653 2.5874 2.5874 3.6401 3.6401 3.8124 3.8124 4.1025 4.1025 4.4441 4.4441 5.2236 5.2236 5.7772 5.7772 6.0341 6.0341 6.3952 6.3952 6.5268 6.5268 6.8956 6.8956 7.1932 7.1932 7.5212 7.5212 8.3872 8.3872 8.7453 8.7453 9.0686 9.0686 9.1290 9.1290 k = 0.0000 0.0000 0.0181 ( 7777 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0248 -7.0248 -6.9875 -6.9875 -5.2061 -5.2061 -5.0834 -5.0834 -4.9157 -4.9157 -4.8949 -4.8949 -2.5633 -2.5633 -1.2854 -1.2854 -0.9463 -0.9463 1.7107 1.7107 2.5431 2.5431 3.6388 3.6388 3.8137 3.8137 4.1105 4.1105 4.4376 4.4376 5.2208 5.2208 5.7642 5.7642 6.0661 6.0661 6.3587 6.3587 6.6112 6.6112 6.8319 6.8319 7.1816 7.1816 7.5219 7.5219 8.3851 8.3851 8.7614 8.7614 9.1209 9.1209 9.1220 9.1220 k = 0.0000 0.0000 0.0000 ( 7773 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0249 -7.0249 -6.9874 -6.9874 -5.2063 -5.2063 -5.0830 -5.0830 -4.9157 -4.9157 -4.8948 -4.8948 -2.5650 -2.5650 -1.2671 -1.2671 -0.9661 -0.9661 1.7270 1.7270 2.5271 2.5271 3.6383 3.6383 3.8141 3.8141 4.1133 4.1133 4.4354 4.4354 5.2199 5.2199 5.7599 5.7599 6.0787 6.0787 6.3445 6.3445 6.6560 6.6560 6.7941 6.7941 7.1775 7.1775 7.5221 7.5221 8.3844 8.3844 8.7668 8.7668 9.1194 9.1194 9.1401 9.1401 k = 0.0000 0.0000 0.0000 ( 7773 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0249 -7.0249 -6.9874 -6.9874 -5.2063 -5.2063 -5.0830 -5.0830 -4.9157 -4.9157 -4.8948 -4.8948 -2.5650 -2.5650 -1.2671 -1.2671 -0.9661 -0.9661 1.7270 1.7270 2.5271 2.5271 3.6383 3.6383 3.8141 3.8141 4.1133 4.1133 4.4354 4.4354 5.2199 5.2199 5.7599 5.7599 6.0787 6.0787 6.3445 6.3445 6.6560 6.6560 6.7941 6.7941 7.1775 7.1775 7.5221 7.5221 8.3844 8.3844 8.7668 8.7668 9.1194 9.1194 9.1401 9.1401 k =-0.0172 0.0067 0.0000 ( 7781 PWs) bands (ev): -20.3178 -20.3178 -20.3156 -20.3156 -7.0249 -7.0249 -6.9875 -6.9875 -5.2065 -5.2065 -5.0835 -5.0835 -4.9159 -4.9159 -4.8950 -4.8950 -2.5631 -2.5631 -1.2671 -1.2671 -0.9644 -0.9644 1.7239 1.7239 2.5244 2.5244 3.6188 3.6188 3.8048 3.8048 4.1373 4.1373 4.4495 4.4495 5.2201 5.2201 5.7535 5.7535 6.0764 6.0764 6.3460 6.3460 6.6567 6.6567 6.7999 6.7999 7.1795 7.1795 7.5259 7.5259 8.3849 8.3849 8.7567 8.7567 9.1211 9.1211 9.1542 9.1542 k =-0.0345 0.0134 0.0000 ( 7783 PWs) bands (ev): -20.3178 -20.3178 -20.3155 -20.3155 -7.0251 -7.0251 -6.9879 -6.9879 -5.2068 -5.2068 -5.0850 -5.0850 -4.9165 -4.9165 -4.8954 -4.8954 -2.5572 -2.5572 -1.2673 -1.2673 -0.9594 -0.9594 1.7146 1.7146 2.5161 2.5161 3.5702 3.5702 3.7794 3.7794 4.1998 4.1998 4.4894 4.4894 5.2208 5.2208 5.7350 5.7350 6.0695 6.0695 6.3506 6.3506 6.6590 6.6590 6.8163 6.8163 7.1862 7.1862 7.5373 7.5373 8.3864 8.3864 8.7303 8.7303 9.1257 9.1257 9.1928 9.1928 k =-0.0517 0.0201 0.0000 ( 7791 PWs) bands (ev): -20.3178 -20.3178 -20.3155 -20.3155 -7.0254 -7.0254 -6.9886 -6.9886 -5.2074 -5.2074 -5.0875 -5.0875 -4.9175 -4.9175 -4.8961 -4.8961 -2.5474 -2.5474 -1.2674 -1.2674 -0.9512 -0.9512 1.6994 1.6994 2.5018 2.5018 3.5086 3.5086 3.7428 3.7428 4.2846 4.2846 4.5497 4.5497 5.2219 5.2219 5.7064 5.7064 6.0584 6.0584 6.3582 6.3582 6.6629 6.6629 6.8401 6.8401 7.1988 7.1988 7.5559 7.5559 8.3888 8.3888 8.6949 8.6949 9.1329 9.1329 9.2475 9.2475 k =-0.0690 0.0268 0.0000 ( 7791 PWs) bands (ev): -20.3177 -20.3177 -20.3155 -20.3155 -7.0258 -7.0258 -6.9895 -6.9895 -5.2083 -5.2083 -5.0909 -5.0909 -4.9188 -4.9188 -4.8971 -4.8971 -2.5339 -2.5339 -1.2676 -1.2676 -0.9398 -0.9398 1.6785 1.6785 2.4808 2.4808 3.4450 3.4450 3.6999 3.6999 4.3810 4.3810 4.6252 4.6252 5.2234 5.2234 5.6705 5.6705 6.0434 6.0434 6.3687 6.3687 6.6685 6.6685 6.8669 6.8669 7.2195 7.2195 7.5812 7.5812 8.3921 8.3921 8.6563 8.6563 9.1417 9.1417 9.3026 9.3026 k =-0.0862 0.0335 0.0000 ( 7787 PWs) bands (ev): -20.3177 -20.3177 -20.3155 -20.3155 -7.0264 -7.0264 -6.9906 -6.9906 -5.2093 -5.2093 -5.0952 -5.0952 -4.9204 -4.9204 -4.8983 -4.8983 -2.5167 -2.5167 -1.2678 -1.2678 -0.9254 -0.9254 1.6526 1.6526 2.4522 2.4522 3.3856 3.3856 3.6543 3.6543 4.4826 4.4826 4.7118 4.7118 5.2253 5.2253 5.6305 5.6305 6.0250 6.0250 6.3821 6.3821 6.6759 6.6759 6.8919 6.8919 7.2508 7.2508 7.6126 7.6126 8.3959 8.3959 8.6176 8.6176 9.1492 9.1492 9.2930 9.2930 k =-0.1034 0.0403 0.0000 ( 7791 PWs) bands (ev): -20.3176 -20.3176 -20.3154 -20.3154 -7.0270 -7.0270 -6.9920 -6.9920 -5.2107 -5.2107 -5.1003 -5.1003 -4.9222 -4.9222 -4.8997 -4.8997 -2.4961 -2.4961 -1.2680 -1.2680 -0.9083 -0.9083 1.6220 1.6220 2.4156 2.4156 3.3336 3.3336 3.6082 3.6082 4.5849 4.5849 4.8065 4.8065 5.2277 5.2277 5.5899 5.5899 6.0039 6.0039 6.3984 6.3984 6.6853 6.6853 6.9116 6.9116 7.2942 7.2942 7.6492 7.6492 8.4003 8.4003 8.5807 8.5807 9.1458 9.1458 9.2667 9.2667 k =-0.1207 0.0470 0.0000 ( 7795 PWs) bands (ev): -20.3176 -20.3176 -20.3154 -20.3154 -7.0277 -7.0277 -6.9936 -6.9936 -5.2122 -5.2122 -5.1063 -5.1063 -4.9242 -4.9242 -4.9012 -4.9012 -2.4722 -2.4722 -1.2682 -1.2682 -0.8886 -0.8886 1.5875 1.5875 2.3708 2.3708 3.2908 3.2908 3.5629 3.5629 4.6838 4.6838 4.9073 4.9073 5.2303 5.2303 5.5530 5.5530 5.9805 5.9805 6.4173 6.4173 6.6969 6.6969 6.9245 6.9245 7.3495 7.3495 7.6904 7.6904 8.4048 8.4048 8.5464 8.5464 9.1165 9.1165 9.2625 9.2625 k =-0.1379 0.0537 0.0000 ( 7780 PWs) bands (ev): -20.3175 -20.3175 -20.3153 -20.3153 -7.0285 -7.0285 -6.9954 -6.9954 -5.2140 -5.2140 -5.1129 -5.1129 -4.9264 -4.9264 -4.9028 -4.9028 -2.4452 -2.4452 -1.2683 -1.2683 -0.8667 -0.8667 1.5497 1.5497 2.3181 2.3181 3.2578 3.2578 3.5190 3.5190 4.7737 4.7737 5.0125 5.0125 5.2334 5.2334 5.5253 5.5253 5.9555 5.9555 6.4389 6.4389 6.7112 6.7112 6.9310 6.9310 7.4148 7.4148 7.7351 7.7351 8.4095 8.4095 8.5154 8.5154 9.0644 9.0644 9.2805 9.2805 k =-0.1552 0.0604 0.0000 ( 7790 PWs) bands (ev): -20.3174 -20.3174 -20.3153 -20.3153 -7.0294 -7.0294 -6.9974 -6.9974 -5.2161 -5.2161 -5.1202 -5.1202 -4.9285 -4.9285 -4.9044 -4.9044 -2.4154 -2.4154 -1.2683 -1.2683 -0.8427 -0.8427 1.5093 1.5093 2.2586 2.2586 3.2343 3.2343 3.4771 3.4771 4.8477 4.8477 5.1206 5.1206 5.2367 5.2367 5.5140 5.5140 5.9293 5.9293 6.4630 6.4630 6.7286 6.7286 6.9326 6.9326 7.4876 7.4876 7.7825 7.7825 8.4140 8.4140 8.4877 8.4877 9.0012 9.0012 9.3109 9.3109 k =-0.1724 0.0671 0.0000 ( 7788 PWs) bands (ev): -20.3173 -20.3173 -20.3152 -20.3152 -7.0304 -7.0304 -6.9995 -6.9995 -5.2183 -5.2183 -5.1281 -5.1281 -4.9307 -4.9307 -4.9061 -4.9061 -2.3831 -2.3831 -1.2682 -1.2682 -0.8171 -0.8171 1.4668 1.4668 2.1936 2.1936 3.2192 3.2192 3.4372 3.4372 4.8976 4.8976 5.2299 5.2299 5.2406 5.2406 5.5272 5.5272 5.9025 5.9025 6.4895 6.4895 6.7497 6.7497 6.9306 6.9306 7.5653 7.5653 7.8319 7.8319 8.4183 8.4183 8.4635 8.4635 8.9328 8.9328 9.3492 9.3492 k =-0.1897 0.0738 0.0000 ( 7780 PWs) bands (ev): -20.3173 -20.3173 -20.3151 -20.3151 -7.0314 -7.0314 -7.0018 -7.0018 -5.2208 -5.2208 -5.1363 -5.1363 -4.9328 -4.9328 -4.9078 -4.9078 -2.3485 -2.3485 -1.2680 -1.2680 -0.7902 -0.7902 1.4230 1.4230 2.1246 2.1246 3.2114 3.2114 3.3996 3.3996 4.9190 4.9190 5.2441 5.2441 5.3398 5.3398 5.5694 5.5694 5.8754 5.8754 6.5180 6.5180 6.7754 6.7754 6.9263 6.9263 7.6458 7.6458 7.8822 7.8822 8.4222 8.4222 8.4430 8.4430 8.8621 8.8621 9.3937 9.3937 k =-0.2069 0.0805 0.0000 ( 7778 PWs) bands (ev): -20.3172 -20.3172 -20.3151 -20.3151 -7.0325 -7.0325 -7.0042 -7.0042 -5.2234 -5.2234 -5.1449 -5.1449 -4.9348 -4.9348 -4.9095 -4.9095 -2.3120 -2.3120 -1.2678 -1.2678 -0.7623 -0.7623 1.3785 1.3785 2.0531 2.0531 3.2096 3.2096 3.3641 3.3641 4.9147 4.9147 5.2482 5.2482 5.4478 5.4478 5.6376 5.6376 5.8483 5.8483 6.5485 6.5485 6.8065 6.8065 6.9208 6.9208 7.7271 7.7271 7.9326 7.9326 8.4235 8.4235 8.4282 8.4282 8.7907 8.7907 9.4438 9.4438 k =-0.2241 0.0872 0.0000 ( 7782 PWs) bands (ev): -20.3171 -20.3171 -20.3150 -20.3150 -7.0336 -7.0336 -7.0067 -7.0067 -5.2262 -5.2262 -5.1536 -5.1536 -4.9367 -4.9367 -4.9112 -4.9112 -2.2739 -2.2739 -1.2674 -1.2674 -0.7338 -0.7338 1.3338 1.3338 1.9805 1.9805 3.2124 3.2124 3.3309 3.3309 4.8923 4.8923 5.2523 5.2523 5.5526 5.5526 5.7241 5.7241 5.8218 5.8218 6.5808 6.5808 6.8442 6.8442 6.9148 6.9148 7.8071 7.8071 7.9822 7.9822 8.4116 8.4116 8.4297 8.4297 8.7201 8.7201 9.4988 9.4988 k =-0.2414 0.0939 0.0000 ( 7786 PWs) bands (ev): -20.3170 -20.3170 -20.3149 -20.3149 -7.0347 -7.0347 -7.0092 -7.0092 -5.2291 -5.2291 -5.1625 -5.1625 -4.9384 -4.9384 -4.9128 -4.9128 -2.2345 -2.2345 -1.2669 -1.2669 -0.7052 -0.7052 1.2894 1.2894 1.9080 1.9080 3.2187 3.2187 3.3000 3.3000 4.8588 4.8588 5.2566 5.2566 5.6521 5.6521 5.7956 5.7956 5.8213 5.8213 6.6145 6.6145 6.8894 6.8894 6.9096 6.9096 7.8839 7.8839 8.0303 8.0303 8.4017 8.4017 8.4325 8.4325 8.6514 8.6514 9.5579 9.5579 k =-0.2586 0.1006 0.0000 ( 7774 PWs) bands (ev): -20.3169 -20.3169 -20.3149 -20.3149 -7.0358 -7.0358 -7.0118 -7.0118 -5.2321 -5.2321 -5.1713 -5.1713 -4.9398 -4.9398 -4.9144 -4.9144 -2.1942 -2.1942 -1.2664 -1.2664 -0.6768 -0.6768 1.2459 1.2459 1.8366 1.8366 3.2268 3.2268 3.2723 3.2723 4.8196 4.8196 5.2608 5.2608 5.7446 5.7446 5.7709 5.7709 5.9232 5.9232 6.6493 6.6493 6.9033 6.9033 6.9456 6.9456 7.9553 7.9553 8.0761 8.0761 8.3955 8.3955 8.4348 8.4348 8.5860 8.5860 9.6202 9.6202 k =-0.2759 0.1074 0.0000 ( 7774 PWs) bands (ev): -20.3168 -20.3168 -20.3148 -20.3148 -7.0369 -7.0369 -7.0144 -7.0144 -5.2352 -5.2352 -5.1800 -5.1800 -4.9410 -4.9410 -4.9160 -4.9160 -2.1535 -2.1535 -1.2658 -1.2658 -0.6491 -0.6491 1.2037 1.2037 1.7672 1.7672 3.2294 3.2294 3.2541 3.2541 4.7777 4.7777 5.2651 5.2651 5.7466 5.7466 5.8291 5.8291 6.0260 6.0260 6.6849 6.6849 6.8998 6.8998 7.0106 7.0106 8.0187 8.0187 8.1189 8.1189 8.3931 8.3931 8.4364 8.4364 8.5255 8.5255 9.6796 9.6817 k =-0.2931 0.1141 0.0000 ( 7766 PWs) bands (ev): -20.3167 -20.3167 -20.3147 -20.3147 -7.0379 -7.0379 -7.0170 -7.0170 -5.2382 -5.2382 -5.1884 -5.1884 -4.9420 -4.9420 -4.9175 -4.9175 -2.1127 -2.1127 -1.2651 -1.2651 -0.6224 -0.6224 1.1632 1.1632 1.7005 1.7005 3.2124 3.2124 3.2587 3.2587 4.7353 4.7353 5.2693 5.2693 5.7240 5.7240 5.9035 5.9035 6.1266 6.1266 6.7209 6.7209 6.8982 6.8982 7.0864 7.0864 8.0712 8.0712 8.1581 8.1581 8.3927 8.3927 8.4359 8.4359 8.4752 8.4752 9.7172 9.7182 k =-0.3103 0.1208 0.0000 ( 7764 PWs) bands (ev): -20.3166 -20.3166 -20.3147 -20.3147 -7.0389 -7.0389 -7.0196 -7.0196 -5.2412 -5.2412 -5.1965 -5.1965 -4.9427 -4.9427 -4.9190 -4.9190 -2.0723 -2.0723 -1.2643 -1.2643 -0.5971 -0.5971 1.1247 1.1247 1.6373 1.6373 3.1906 3.1906 3.2708 3.2708 4.6938 4.6938 5.2734 5.2734 5.7027 5.7027 5.9678 5.9678 6.2225 6.2225 6.7569 6.7569 6.8991 6.8991 7.1727 7.1727 8.1098 8.1098 8.1934 8.1934 8.3807 8.3807 8.4321 8.4321 8.4525 8.4525 9.7316 9.7316 k =-0.3276 0.1275 0.0000 ( 7756 PWs) bands (ev): -20.3165 -20.3165 -20.3146 -20.3146 -7.0398 -7.0398 -7.0221 -7.0221 -5.2441 -5.2441 -5.2042 -5.2042 -4.9432 -4.9432 -4.9204 -4.9204 -2.0328 -2.0328 -1.2635 -1.2635 -0.5736 -0.5736 1.0886 1.0886 1.5781 1.5781 3.1698 3.1698 3.2840 3.2840 4.6542 4.6542 5.2773 5.2773 5.6830 5.6830 6.0221 6.0221 6.3114 6.3114 6.7923 6.7923 6.9032 6.9032 7.2684 7.2684 8.1317 8.1317 8.2245 8.2245 8.3478 8.3478 8.4411 8.4411 8.4535 8.4535 9.7347 9.7347 k =-0.3448 0.1342 0.0000 ( 7746 PWs) bands (ev): -20.3164 -20.3164 -20.3146 -20.3146 -7.0406 -7.0406 -7.0245 -7.0245 -5.2468 -5.2468 -5.2115 -5.2115 -4.9435 -4.9435 -4.9218 -4.9218 -1.9946 -1.9946 -1.2627 -1.2627 -0.5522 -0.5522 1.0551 1.0551 1.5235 1.5235 3.1507 3.1507 3.2971 3.2971 4.6172 4.6172 5.2811 5.2811 5.6648 5.6648 6.0671 6.0671 6.3911 6.3911 6.8265 6.8265 6.9113 6.9113 7.3717 7.3717 8.1352 8.1352 8.2512 8.2512 8.3160 8.3160 8.4471 8.4471 8.4748 8.4748 9.7516 9.7516 k =-0.3621 0.1409 0.0000 ( 7762 PWs) bands (ev): -20.3164 -20.3164 -20.3145 -20.3145 -7.0414 -7.0414 -7.0267 -7.0267 -5.2494 -5.2494 -5.2182 -5.2182 -4.9435 -4.9435 -4.9232 -4.9232 -1.9584 -1.9584 -1.2618 -1.2618 -0.5332 -0.5332 1.0245 1.0245 1.4738 1.4738 3.1335 3.1335 3.3097 3.3097 4.5832 4.5832 5.2845 5.2845 5.6484 5.6484 6.1038 6.1038 6.4600 6.4600 6.8590 6.8590 6.9238 6.9238 7.4801 7.4801 8.1213 8.1213 8.2726 8.2726 8.2948 8.2948 8.4492 8.4492 8.5093 8.5093 9.7819 9.7819 k =-0.3793 0.1476 0.0000 ( 7760 PWs) bands (ev): -20.3163 -20.3163 -20.3145 -20.3145 -7.0420 -7.0420 -7.0289 -7.0289 -5.2517 -5.2517 -5.2242 -5.2242 -4.9434 -4.9434 -4.9246 -4.9246 -1.9246 -1.9246 -1.2610 -1.2610 -0.5165 -0.5165 0.9970 0.9970 1.4294 1.4294 3.1182 3.1182 3.3213 3.3213 4.5528 4.5528 5.2877 5.2877 5.6338 5.6338 6.1333 6.1333 6.5168 6.5168 6.8890 6.8890 6.9409 6.9409 7.5909 7.5909 8.0948 8.0948 8.2763 8.2763 8.2967 8.2967 8.4509 8.4509 8.5508 8.5508 9.8212 9.8212 k =-0.3966 0.1543 0.0000 ( 7754 PWs) bands (ev): -20.3162 -20.3162 -20.3144 -20.3144 -7.0425 -7.0425 -7.0308 -7.0308 -5.2537 -5.2537 -5.2297 -5.2297 -4.9431 -4.9431 -4.9259 -4.9259 -1.8938 -1.8938 -1.2602 -1.2602 -0.5025 -0.5025 0.9727 0.9727 1.3906 1.3906 3.1049 3.1049 3.3316 3.3316 4.5261 4.5261 5.2905 5.2905 5.6210 5.6210 6.1568 6.1568 6.5616 6.5616 6.9164 6.9164 6.9614 6.9614 7.7006 7.7006 8.0623 8.0623 8.2694 8.2694 8.3111 8.3111 8.4526 8.4526 8.5973 8.5973 9.8560 9.8560 k =-0.4138 0.1610 0.0000 ( 7748 PWs) bands (ev): -20.3162 -20.3162 -20.3144 -20.3144 -7.0428 -7.0428 -7.0326 -7.0326 -5.2555 -5.2555 -5.2344 -5.2344 -4.9427 -4.9427 -4.9271 -4.9271 -1.8665 -1.8665 -1.2594 -1.2594 -0.4909 -0.4909 0.9520 0.9520 1.3576 1.3576 3.0936 3.0936 3.3405 3.3405 4.5034 4.5034 5.2930 5.2930 5.6100 5.6100 6.1752 6.1752 6.5951 6.5951 6.9410 6.9410 6.9834 6.9834 7.8055 7.8055 8.0289 8.0289 8.2645 8.2645 8.3234 8.3234 8.4541 8.4541 8.6471 8.6471 9.8757 9.8757 k =-0.4310 0.1677 0.0000 ( 7746 PWs) bands (ev): -20.3161 -20.3161 -20.3143 -20.3143 -7.0431 -7.0431 -7.0342 -7.0342 -5.2569 -5.2569 -5.2383 -5.2383 -4.9422 -4.9422 -4.9282 -4.9282 -1.8434 -1.8434 -1.2588 -1.2588 -0.4817 -0.4817 0.9348 0.9348 1.3306 1.3306 3.0844 3.0844 3.3478 3.3478 4.4847 4.4847 5.2951 5.2951 5.6011 5.6011 6.1892 6.1892 6.6192 6.6192 6.9625 6.9625 7.0046 7.0046 7.9013 7.9013 7.9978 7.9978 8.2611 8.2611 8.3332 8.3332 8.4557 8.4557 8.6975 8.6975 9.8885 9.8885 k =-0.4483 0.1745 0.0000 ( 7746 PWs) bands (ev): -20.3161 -20.3161 -20.3143 -20.3143 -7.0432 -7.0432 -7.0355 -7.0355 -5.2579 -5.2579 -5.2415 -5.2415 -4.9416 -4.9416 -4.9292 -4.9292 -1.8248 -1.8248 -1.2582 -1.2582 -0.4749 -0.4749 0.9214 0.9214 1.3095 1.3095 3.0772 3.0772 3.3536 3.3536 4.4702 4.4702 5.2967 5.2967 5.5941 5.5941 6.1996 6.1996 6.6358 6.6358 6.9801 6.9801 7.0230 7.0230 7.9707 7.9707 7.9837 7.9837 8.2588 8.2588 8.3405 8.3405 8.4573 8.4573 8.7450 8.7450 9.8981 9.8981 k =-0.4655 0.1812 0.0000 ( 7754 PWs) bands (ev): -20.3161 -20.3161 -20.3143 -20.3143 -7.0432 -7.0432 -7.0364 -7.0364 -5.2587 -5.2587 -5.2438 -5.2438 -4.9412 -4.9412 -4.9300 -4.9300 -1.8112 -1.8112 -1.2578 -1.2578 -0.4701 -0.4701 0.9117 0.9117 1.2944 1.2944 3.0720 3.0720 3.3576 3.3576 4.4599 4.4599 5.2979 5.2979 5.5890 5.5890 6.2067 6.2067 6.6464 6.6464 6.9933 6.9933 7.0372 7.0372 7.9509 7.9509 8.0464 8.0464 8.2573 8.2573 8.3456 8.3456 8.4587 8.4587 8.7848 8.7848 9.9049 9.9049 k =-0.4828 0.1879 0.0000 ( 7756 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0371 -7.0371 -5.2591 -5.2591 -5.2452 -5.2452 -4.9408 -4.9408 -4.9306 -4.9306 -1.8029 -1.8029 -1.2575 -1.2575 -0.4674 -0.4674 0.9058 0.9058 1.2854 1.2854 3.0689 3.0689 3.3601 3.3601 4.4537 4.4537 5.2986 5.2986 5.5860 5.5860 6.2108 6.2108 6.6523 6.6523 7.0014 7.0014 7.0462 7.0462 7.9383 7.9383 8.0864 8.0864 8.2565 8.2565 8.3486 8.3486 8.4598 8.4598 8.8116 8.8116 9.9087 9.9087 k =-0.5000 0.1946 0.0000 ( 7766 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0373 -7.0373 -5.2592 -5.2592 -5.2457 -5.2457 -4.9407 -4.9407 -4.9308 -4.9308 -1.8001 -1.8001 -1.2574 -1.2574 -0.4665 -0.4665 0.9039 0.9039 1.2824 1.2824 3.0679 3.0679 3.3609 3.3609 4.4516 4.4516 5.2988 5.2988 5.5850 5.5850 6.2122 6.2122 6.6543 6.6543 7.0042 7.0042 7.0492 7.0492 7.9340 7.9340 8.1000 8.1000 8.2562 8.2562 8.3496 8.3496 8.4602 8.4602 8.8211 8.8211 9.9098 9.9098 k =-0.5000 0.1946 0.0000 ( 7766 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0373 -7.0373 -5.2592 -5.2592 -5.2457 -5.2457 -4.9407 -4.9407 -4.9308 -4.9308 -1.8001 -1.8001 -1.2574 -1.2574 -0.4665 -0.4665 0.9039 0.9039 1.2824 1.2824 3.0679 3.0679 3.3609 3.3609 4.4516 4.4516 5.2988 5.2988 5.5850 5.5850 6.2122 6.2122 6.6543 6.6543 7.0042 7.0042 7.0492 7.0492 7.9340 7.9340 8.1000 8.1000 8.2562 8.2562 8.3496 8.3496 8.4602 8.4602 8.8211 8.8211 9.9098 9.9098 k =-0.4934 0.2116-0.0000 ( 7776 PWs) bands (ev): -20.3160 -20.3160 -20.3142 -20.3142 -7.0435 -7.0435 -7.0372 -7.0372 -5.2591 -5.2591 -5.2454 -5.2454 -4.9416 -4.9416 -4.9312 -4.9312 -1.7993 -1.7993 -1.2562 -1.2562 -0.4661 -0.4661 0.9050 0.9050 1.2835 1.2835 3.0636 3.0636 3.3611 3.3611 4.4532 4.4532 5.2854 5.2854 5.5828 5.5828 6.2115 6.2115 6.6603 6.6603 6.9942 6.9942 7.0519 7.0519 7.9419 7.9419 8.0996 8.0996 8.2562 8.2562 8.3374 8.3374 8.4677 8.4677 8.8202 8.8202 9.9110 9.9111 k =-0.4867 0.2287-0.0000 ( 7768 PWs) bands (ev): -20.3158 -20.3158 -20.3141 -20.3141 -7.0443 -7.0443 -7.0369 -7.0369 -5.2586 -5.2586 -5.2445 -5.2445 -4.9442 -4.9442 -4.9324 -4.9324 -1.7966 -1.7966 -1.2526 -1.2526 -0.4650 -0.4650 0.9085 0.9085 1.2866 1.2866 3.0509 3.0509 3.3616 3.3616 4.4579 4.4579 5.2466 5.2466 5.5763 5.5763 6.2096 6.2096 6.6764 6.6764 6.9619 6.9619 7.0641 7.0641 7.9645 7.9645 8.0982 8.0982 8.2561 8.2561 8.3018 8.3018 8.4901 8.4901 8.8178 8.8178 9.9139 9.9141 k =-0.4801 0.2457-0.0000 ( 7776 PWs) bands (ev): -20.3156 -20.3156 -20.3138 -20.3138 -7.0454 -7.0454 -7.0365 -7.0365 -5.2578 -5.2578 -5.2431 -5.2431 -4.9484 -4.9484 -4.9347 -4.9347 -1.7923 -1.7923 -1.2465 -1.2465 -0.4633 -0.4633 0.9142 0.9142 1.2919 1.2919 3.0299 3.0299 3.3624 3.3624 4.4657 4.4657 5.1862 5.1862 5.5660 5.5660 6.2063 6.2063 6.6980 6.6980 6.9091 6.9091 7.0874 7.0874 7.9989 7.9989 8.0951 8.0951 8.2428 8.2428 8.2588 8.2588 8.5271 8.5271 8.8145 8.8145 9.8659 9.8670 k =-0.4735 0.2627-0.0000 ( 7774 PWs) bands (ev): -20.3152 -20.3152 -20.3135 -20.3135 -7.0468 -7.0468 -7.0361 -7.0361 -5.2567 -5.2567 -5.2410 -5.2410 -4.9540 -4.9540 -4.9380 -4.9380 -1.7862 -1.7862 -1.2381 -1.2381 -0.4608 -0.4608 0.9223 0.9223 1.2992 1.2992 3.0006 3.0006 3.3634 3.3634 4.4764 4.4764 5.1087 5.1087 5.5526 5.5526 6.2018 6.2018 6.7198 6.7198 6.8405 6.8405 7.1207 7.1207 8.0414 8.0414 8.0895 8.0895 8.1695 8.1695 8.2594 8.2594 8.5780 8.5780 8.8115 8.8115 9.7785 9.7785 k =-0.4669 0.2798-0.0000 ( 7758 PWs) bands (ev): -20.3148 -20.3148 -20.3131 -20.3131 -7.0483 -7.0483 -7.0359 -7.0359 -5.2554 -5.2554 -5.2385 -5.2385 -4.9607 -4.9607 -4.9425 -4.9425 -1.7783 -1.7783 -1.2272 -1.2272 -0.4578 -0.4578 0.9326 0.9326 1.3083 1.3083 2.9635 2.9635 3.3646 3.3646 4.4901 4.4901 5.0187 5.0187 5.5367 5.5367 6.1960 6.1960 6.7374 6.7374 6.7609 6.7609 7.1610 7.1610 8.0683 8.0683 8.0889 8.0889 8.0936 8.0936 8.2633 8.2633 8.6414 8.6414 8.8104 8.8104 9.6887 9.6887 k =-0.4602 0.2968-0.0000 ( 7748 PWs) bands (ev): -20.3143 -20.3143 -20.3125 -20.3125 -7.0501 -7.0501 -7.0358 -7.0358 -5.2537 -5.2537 -5.2354 -5.2354 -4.9684 -4.9684 -4.9482 -4.9482 -1.7688 -1.7688 -1.2139 -1.2139 -0.4541 -0.4541 0.9452 0.9452 1.3192 1.3192 2.9188 2.9188 3.3657 3.3657 4.5066 4.5066 4.9200 4.9200 5.5194 5.5194 6.1888 6.1888 6.6717 6.6717 6.7508 6.7508 7.2041 7.2041 7.9740 7.9740 8.0750 8.0750 8.1404 8.1404 8.2704 8.2704 8.7157 8.7157 8.8130 8.8130 9.5990 9.5990 k =-0.4536 0.3138-0.0000 ( 7758 PWs) bands (ev): -20.3136 -20.3136 -20.3119 -20.3119 -7.0520 -7.0520 -7.0359 -7.0359 -5.2518 -5.2518 -5.2318 -5.2318 -4.9770 -4.9770 -4.9550 -4.9550 -1.7575 -1.7575 -1.1981 -1.1981 -0.4499 -0.4499 0.9601 0.9601 1.3317 1.3317 2.8669 2.8669 3.3666 3.3666 4.5257 4.5257 4.8158 4.8158 5.5013 5.5013 6.1803 6.1803 6.5778 6.5778 6.7573 6.7573 7.2449 7.2449 7.8636 7.8636 8.0606 8.0606 8.1930 8.1930 8.2815 8.2815 8.7984 8.7984 8.8218 8.8218 9.5106 9.5106 k =-0.4470 0.3309-0.0000 ( 7764 PWs) bands (ev): -20.3129 -20.3129 -20.3112 -20.3112 -7.0540 -7.0540 -7.0361 -7.0361 -5.2497 -5.2497 -5.2277 -5.2277 -4.9864 -4.9864 -4.9628 -4.9628 -1.7446 -1.7446 -1.1800 -1.1800 -0.4452 -0.4452 0.9772 0.9772 1.3455 1.3455 2.8082 2.8082 3.3670 3.3670 4.5470 4.5470 4.7087 4.7087 5.4833 5.4833 6.1704 6.1704 6.4804 6.4804 6.7581 6.7581 7.2788 7.2788 7.7458 7.7458 8.0429 8.0429 8.2460 8.2460 8.2972 8.2972 8.8378 8.8378 8.8884 8.8884 9.4244 9.4244 k =-0.4403 0.3479-0.0000 ( 7758 PWs) bands (ev): -20.3121 -20.3121 -20.3104 -20.3104 -7.0562 -7.0562 -7.0365 -7.0365 -5.2475 -5.2475 -5.2232 -5.2232 -4.9964 -4.9964 -4.9716 -4.9716 -1.7299 -1.7299 -1.1594 -1.1594 -0.4401 -0.4401 0.9966 0.9966 1.3605 1.3605 2.7434 2.7434 3.3669 3.3669 4.5689 4.5689 4.6020 4.6020 5.4660 5.4660 6.1591 6.1591 6.3813 6.3813 6.7536 6.7536 7.3021 7.3021 7.6227 7.6227 8.0210 8.0210 8.2970 8.2970 8.3187 8.3187 8.8652 8.8652 8.9811 8.9811 9.3415 9.3415 k =-0.4337 0.3649-0.0000 ( 7750 PWs) bands (ev): -20.3113 -20.3113 -20.3096 -20.3096 -7.0585 -7.0585 -7.0371 -7.0371 -5.2452 -5.2452 -5.2183 -5.2183 -5.0067 -5.0067 -4.9813 -4.9813 -1.7136 -1.7136 -1.1365 -1.1365 -0.4348 -0.4348 1.0183 1.0183 1.3763 1.3763 2.6728 2.6728 3.3657 3.3657 4.4908 4.4908 4.5977 4.5977 5.4498 5.4498 6.1463 6.1463 6.2817 6.2817 6.7439 6.7439 7.3130 7.3130 7.4959 7.4959 7.9947 7.9947 8.3333 8.3333 8.3571 8.3571 8.9049 8.9049 9.0739 9.0739 9.2632 9.2632 k =-0.4271 0.3820-0.0000 ( 7748 PWs) bands (ev): -20.3104 -20.3104 -20.3086 -20.3086 -7.0609 -7.0609 -7.0380 -7.0380 -5.2429 -5.2429 -5.2131 -5.2131 -5.0173 -5.0173 -4.9918 -4.9918 -1.6957 -1.6957 -1.1111 -1.1111 -0.4292 -0.4292 1.0422 1.0422 1.3927 1.3927 2.5971 2.5971 3.3634 3.3634 4.3846 4.3846 4.6248 4.6248 5.4352 5.4352 6.1317 6.1317 6.1835 6.1835 6.7293 6.7293 7.3100 7.3100 7.3673 7.3673 7.9635 7.9635 8.3588 8.3588 8.4063 8.4063 8.9577 8.9577 9.1609 9.1609 9.1933 9.1933 k =-0.4204 0.3990-0.0000 ( 7760 PWs) bands (ev): -20.3094 -20.3094 -20.3077 -20.3077 -7.0634 -7.0634 -7.0390 -7.0390 -5.2408 -5.2408 -5.2075 -5.2075 -5.0280 -5.0280 -5.0029 -5.0029 -1.6762 -1.6762 -1.0833 -1.0833 -0.4236 -0.4236 1.0683 1.0683 1.4093 1.4093 2.5168 2.5168 3.3595 3.3595 4.2809 4.2809 4.6536 4.6536 5.4225 5.4225 6.0847 6.0847 6.1182 6.1182 6.7098 6.7098 7.2325 7.2325 7.2991 7.2991 7.9272 7.9272 8.3837 8.3837 8.4538 8.4538 9.0225 9.0225 9.1247 9.1247 9.2487 9.2487 k =-0.4138 0.4160-0.0000 ( 7752 PWs) bands (ev): -20.3083 -20.3083 -20.3066 -20.3066 -7.0661 -7.0661 -7.0403 -7.0403 -5.2388 -5.2388 -5.2015 -5.2015 -5.0385 -5.0385 -5.0146 -5.0146 -1.6551 -1.6551 -1.0532 -1.0532 -0.4181 -0.4181 1.0967 1.0967 1.4258 1.4258 2.4325 2.4325 3.3536 3.3536 4.1810 4.1810 4.6836 4.6836 5.4119 5.4119 5.9918 5.9918 6.1004 6.1004 6.6857 6.6857 7.1006 7.1006 7.2729 7.2729 7.8857 7.8857 8.4090 8.4090 8.4965 8.4965 9.0596 9.0596 9.1099 9.1099 9.3226 9.3226 k =-0.4072 0.4331-0.0000 ( 7744 PWs) bands (ev): -20.3072 -20.3072 -20.3055 -20.3055 -7.0688 -7.0688 -7.0417 -7.0417 -5.2373 -5.2373 -5.1953 -5.1953 -5.0486 -5.0486 -5.0266 -5.0266 -1.6324 -1.6324 -1.0206 -1.0206 -0.4128 -0.4128 1.1272 1.1272 1.4418 1.4418 2.3448 2.3448 3.3453 3.3453 4.0857 4.0857 4.7142 4.7142 5.4034 5.4034 5.9022 5.9022 6.0819 6.0819 6.6570 6.6570 6.9674 6.9674 7.2377 7.2377 7.8388 7.8388 8.4350 8.4350 8.5310 8.5310 9.0212 9.0212 9.1935 9.1935 9.3863 9.3863 k =-0.4006 0.4501-0.0000 ( 7736 PWs) bands (ev): -20.3061 -20.3061 -20.3044 -20.3044 -7.0716 -7.0716 -7.0434 -7.0434 -5.2363 -5.2363 -5.1889 -5.1889 -5.0582 -5.0582 -5.0388 -5.0388 -1.6082 -1.6082 -0.9857 -0.9857 -0.4080 -0.4080 1.1598 1.1598 1.4569 1.4569 2.2543 2.2543 3.3343 3.3343 3.9960 3.9960 4.7453 4.7453 5.3970 5.3970 5.8173 5.8173 6.0623 6.0623 6.6242 6.6242 6.8339 6.8339 7.1941 7.1941 7.7868 7.7868 8.4621 8.4621 8.5534 8.5534 8.9959 8.9959 9.2890 9.2890 9.4373 9.4373 k =-0.3939 0.4671-0.0000 ( 7734 PWs) bands (ev): -20.3049 -20.3049 -20.3032 -20.3032 -7.0744 -7.0744 -7.0453 -7.0453 -5.2360 -5.2360 -5.1822 -5.1822 -5.0675 -5.0675 -5.0507 -5.0507 -1.5826 -1.5826 -0.9484 -0.9484 -0.4038 -0.4038 1.1946 1.1946 1.4708 1.4708 2.1613 2.1613 3.3202 3.3202 3.9127 3.9127 4.7763 4.7763 5.3929 5.3929 5.7382 5.7382 6.0414 6.0414 6.5874 6.5874 6.7006 6.7006 7.1433 7.1433 7.7298 7.7298 8.4907 8.4907 8.5608 8.5608 8.9903 8.9903 9.3902 9.3902 9.4232 9.4232 k =-0.3873 0.4842-0.0000 ( 7726 PWs) bands (ev): -20.3037 -20.3037 -20.3021 -20.3021 -7.0773 -7.0773 -7.0474 -7.0474 -5.2366 -5.2366 -5.1755 -5.1755 -5.0767 -5.0767 -5.0615 -5.0615 -1.5554 -1.5554 -0.9087 -0.9087 -0.4005 -0.4005 1.2315 1.2315 1.4831 1.4831 2.0666 2.0666 3.3025 3.3025 3.8365 3.8365 4.8069 4.8069 5.3910 5.3910 5.6657 5.6657 6.0195 6.0195 6.5468 6.5468 6.5681 6.5681 7.0863 7.0863 7.6682 7.6682 8.5194 8.5194 8.5554 8.5554 9.0041 9.0041 9.3962 9.3962 9.4933 9.4933 k =-0.3807 0.5012-0.0000 ( 7728 PWs) bands (ev): -20.3025 -20.3025 -20.3009 -20.3009 -7.0803 -7.0803 -7.0496 -7.0496 -5.2382 -5.2382 -5.1686 -5.1686 -5.0868 -5.0868 -5.0702 -5.0702 -1.5269 -1.5269 -0.8667 -0.8667 -0.3983 -0.3983 1.2703 1.2703 1.4936 1.4936 1.9705 1.9705 3.2809 3.2809 3.7681 3.7681 4.8365 4.8365 5.3911 5.3911 5.6005 5.6005 5.9966 5.9966 6.4356 6.4356 6.5041 6.5041 7.0240 7.0240 7.6025 7.6025 8.5269 8.5269 8.5630 8.5630 9.0328 9.0328 9.3743 9.3743 9.5592 9.5592 k =-0.3740 0.5182-0.0000 ( 7732 PWs) bands (ev): -20.3013 -20.3013 -20.2997 -20.2997 -7.0832 -7.0832 -7.0521 -7.0521 -5.2407 -5.2407 -5.1616 -5.1616 -5.0981 -5.0981 -5.0760 -5.0760 -1.4970 -1.4970 -0.8223 -0.8223 -0.3976 -0.3976 1.3109 1.3109 1.5018 1.5018 1.8736 1.8736 3.2551 3.2551 3.7080 3.7080 4.8649 4.8649 5.3931 5.3931 5.5434 5.5434 5.9728 5.9728 6.3047 6.3047 6.4580 6.4580 6.9571 6.9571 7.5331 7.5331 8.5059 8.5059 8.5959 8.5959 9.0707 9.0707 9.3575 9.3575 9.5964 9.5964 k =-0.3674 0.5353-0.0000 ( 7740 PWs) bands (ev): -20.3001 -20.3001 -20.2985 -20.2985 -7.0862 -7.0862 -7.0547 -7.0547 -5.2442 -5.2442 -5.1547 -5.1547 -5.1102 -5.1102 -5.0795 -5.0795 -1.4657 -1.4657 -0.7756 -0.7756 -0.3985 -0.3985 1.3530 1.3530 1.5079 1.5079 1.7766 1.7766 3.2250 3.2250 3.6569 3.6569 4.8915 4.8915 5.3969 5.3969 5.4950 5.4950 5.9483 5.9483 6.1750 6.1750 6.4098 6.4098 6.8864 6.8864 7.4607 7.4607 8.4810 8.4810 8.6334 8.6334 9.1131 9.1131 9.3459 9.3459 9.6324 9.6324 k =-0.3608 0.5523-0.0000 ( 7746 PWs) bands (ev): -20.2989 -20.2989 -20.2973 -20.2973 -7.0891 -7.0891 -7.0574 -7.0574 -5.2485 -5.2485 -5.1479 -5.1479 -5.1224 -5.1224 -5.0810 -5.0810 -1.4332 -1.4332 -0.7266 -0.7266 -0.4014 -0.4014 1.3955 1.3955 1.5117 1.5117 1.6808 1.6808 3.1905 3.1905 3.6151 3.6151 4.9160 4.9160 5.4017 5.4017 5.4562 5.4562 5.9234 5.9234 6.0466 6.0466 6.3598 6.3598 6.8125 6.8125 7.3857 7.3857 8.4570 8.4570 8.6731 8.6731 9.1563 9.1563 9.3394 9.3394 9.6696 9.6696 k =-0.3542 0.5693-0.0000 ( 7762 PWs) bands (ev): -20.2977 -20.2977 -20.2961 -20.2961 -7.0920 -7.0920 -7.0603 -7.0603 -5.2536 -5.2536 -5.1419 -5.1419 -5.1338 -5.1338 -5.0810 -5.0810 -1.3995 -1.3995 -0.6754 -0.6754 -0.4068 -0.4068 1.4338 1.4338 1.5134 1.5134 1.5912 1.5912 3.1517 3.1517 3.5827 3.5827 4.9382 4.9382 5.4040 5.4040 5.4306 5.4306 5.8980 5.8980 5.9198 5.9198 6.3082 6.3082 6.7362 6.7362 7.3088 7.3088 8.4358 8.4358 8.7142 8.7142 9.1975 9.1975 9.3378 9.3378 9.7089 9.7089 k =-0.3475 0.5864-0.0000 ( 7758 PWs) bands (ev): -20.2966 -20.2966 -20.2949 -20.2949 -7.0948 -7.0948 -7.0632 -7.0632 -5.2590 -5.2590 -5.1477 -5.1477 -5.1332 -5.1332 -5.0798 -5.0798 -1.3647 -1.3647 -0.6218 -0.6218 -0.4147 -0.4147 1.4353 1.4353 1.5105 1.5105 1.5433 1.5433 3.1087 3.1087 3.5598 3.5598 4.9581 4.9581 5.3936 5.3936 5.4280 5.4280 5.7946 5.7946 5.8726 5.8726 6.2554 6.2554 6.6579 6.6579 7.2305 7.2305 8.4187 8.4187 8.7562 8.7562 9.2343 9.2343 9.3406 9.3406 9.7506 9.7507 k =-0.3409 0.6034-0.0000 ( 7766 PWs) bands (ev): -20.2955 -20.2955 -20.2938 -20.2938 -7.0976 -7.0976 -7.0662 -7.0662 -5.2647 -5.2647 -5.1591 -5.1591 -5.1269 -5.1269 -5.0776 -5.0776 -1.3288 -1.3288 -0.5661 -0.5661 -0.4256 -0.4256 1.3619 1.3619 1.5089 1.5089 1.5702 1.5702 3.0618 3.0618 3.5462 3.5462 4.9759 4.9759 5.3815 5.3815 5.4368 5.4368 5.6712 5.6712 5.8472 5.8472 6.2016 6.2016 6.5783 6.5783 7.1513 7.1513 8.4063 8.4063 8.7982 8.7982 9.2648 9.2648 9.3476 9.3476 9.7952 9.7952 k =-0.3343 0.6205-0.0000 ( 7766 PWs) bands (ev): -20.2944 -20.2944 -20.2928 -20.2928 -7.1001 -7.1001 -7.0693 -7.0693 -5.2704 -5.2704 -5.1702 -5.1702 -5.1206 -5.1206 -5.0746 -5.0746 -1.2920 -1.2920 -0.5085 -0.5085 -0.4396 -0.4396 1.2698 1.2698 1.5070 1.5070 1.6179 1.6179 3.0116 3.0116 3.5418 3.5418 4.9919 4.9919 5.3749 5.3749 5.4487 5.4487 5.5499 5.5499 5.8219 5.8219 6.1470 6.1470 6.4978 6.4978 7.0717 7.0717 8.3990 8.3990 8.8393 8.8393 9.2872 9.2872 9.3580 9.3580 9.8423 9.8423 k =-0.3276 0.6375-0.0000 ( 7760 PWs) bands (ev): -20.2934 -20.2934 -20.2917 -20.2917 -7.1026 -7.1026 -7.0723 -7.0723 -5.2759 -5.2759 -5.1808 -5.1808 -5.1144 -5.1144 -5.0711 -5.0711 -1.2543 -1.2543 -0.4618 -0.4618 -0.4440 -0.4440 1.1752 1.1752 1.5047 1.5047 1.6713 1.6713 2.9586 2.9586 3.5460 3.5460 5.0067 5.0067 5.3741 5.3741 5.4303 5.4303 5.4627 5.4627 5.7971 5.7971 6.0916 6.0916 6.4171 6.4171 6.9923 6.9923 8.3972 8.3972 8.8784 8.8784 9.3004 9.3004 9.3706 9.3706 9.8712 9.8712 k =-0.3210 0.6545-0.0000 ( 7760 PWs) bands (ev): -20.2924 -20.2924 -20.2908 -20.2908 -7.1048 -7.1048 -7.0752 -7.0752 -5.2810 -5.2810 -5.1909 -5.1909 -5.1085 -5.1085 -5.0671 -5.0671 -1.2159 -1.2159 -0.4805 -0.4805 -0.3846 -0.3846 1.0805 1.0805 1.5027 1.5027 1.7278 1.7278 2.9033 2.9033 3.5584 3.5584 5.0208 5.0208 5.3126 5.3126 5.3789 5.3789 5.4774 5.4774 5.7728 5.7728 6.0356 6.0356 6.3368 6.3368 6.9135 6.9135 8.4010 8.4010 8.9146 8.9146 9.3038 9.3038 9.3838 9.3838 9.8536 9.8536 k =-0.3144 0.6716-0.0000 ( 7756 PWs) bands (ev): -20.2915 -20.2915 -20.2899 -20.2899 -7.1068 -7.1068 -7.0781 -7.0781 -5.2858 -5.2858 -5.2003 -5.2003 -5.1029 -5.1029 -5.0629 -5.0629 -1.1769 -1.1769 -0.5059 -0.5059 -0.3204 -0.3204 0.9865 0.9865 1.5019 1.5019 1.7867 1.7867 2.8464 2.8464 3.5783 3.5783 5.0345 5.0345 5.1977 5.1977 5.3872 5.3872 5.4933 5.4933 5.7492 5.7492 5.9787 5.9787 6.2574 6.2574 6.8359 6.8359 8.4105 8.4105 8.9464 8.9464 9.2973 9.2973 9.3948 9.3948 9.8375 9.8375 k =-0.3078 0.6886-0.0000 ( 7758 PWs) bands (ev): -20.2907 -20.2907 -20.2890 -20.2890 -7.1086 -7.1086 -7.0809 -7.0809 -5.2900 -5.2900 -5.2090 -5.2090 -5.0976 -5.0976 -5.0586 -5.0586 -1.1374 -1.1374 -0.5355 -0.5355 -0.2539 -0.2539 0.8936 0.8936 1.5030 1.5030 1.8477 1.8477 2.7885 2.7885 3.6052 3.6052 5.0481 5.0481 5.0850 5.0850 5.3990 5.3990 5.5100 5.5100 5.7264 5.7264 5.9210 5.9210 6.1795 6.1795 6.7599 6.7599 8.4256 8.4256 8.9728 8.9728 9.2815 9.2815 9.3989 9.3989 9.7803 9.7803 k =-0.3011 0.7056-0.0000 ( 7758 PWs) bands (ev): -20.2899 -20.2899 -20.2883 -20.2883 -7.1102 -7.1102 -7.0835 -7.0835 -5.2935 -5.2935 -5.2170 -5.2170 -5.0927 -5.0927 -5.0542 -5.0542 -1.0977 -1.0977 -0.5691 -0.5691 -0.1854 -0.1854 0.8019 0.8019 1.5066 1.5066 1.9108 1.9108 2.7303 2.7303 3.6384 3.6384 4.9745 4.9745 5.0618 5.0618 5.4136 5.4136 5.5272 5.5272 5.7047 5.7047 5.8621 5.8621 6.1038 6.1038 6.6861 6.6861 8.4462 8.4462 8.9931 8.9931 9.2577 9.2577 9.3895 9.3895 9.7405 9.7405 k =-0.2945 0.7227-0.0000 ( 7754 PWs) bands (ev): -20.2893 -20.2893 -20.2876 -20.2876 -7.1114 -7.1114 -7.0859 -7.0859 -5.2964 -5.2964 -5.2243 -5.2243 -5.0882 -5.0882 -5.0498 -5.0498 -1.0580 -1.0580 -0.6066 -0.6066 -0.1149 -0.1149 0.7118 0.7118 1.5130 1.5130 1.9756 1.9756 2.6725 2.6725 3.6774 3.6774 4.8666 4.8666 5.0749 5.0749 5.4308 5.4308 5.5444 5.5444 5.6840 5.6840 5.8020 5.8020 6.0309 6.0309 6.6152 6.6152 8.4722 8.4722 9.0067 9.0067 9.2274 9.2274 9.3609 9.3609 9.7245 9.7245 k =-0.2879 0.7397-0.0000 ( 7762 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0881 -7.0881 -5.2985 -5.2985 -5.2308 -5.2308 -5.0841 -5.0841 -5.0456 -5.0456 -1.0186 -1.0186 -0.6476 -0.6476 -0.0425 -0.0425 0.6232 0.6232 1.5226 1.5226 2.0423 2.0423 2.6157 2.6157 3.7215 3.7215 4.7613 4.7613 5.0873 5.0873 5.4503 5.4503 5.5614 5.5614 5.6646 5.6646 5.7404 5.7404 5.9614 5.9614 6.5480 6.5480 8.5034 8.5034 9.0140 9.0140 9.1921 9.1921 9.3145 9.3145 9.7314 9.7314 k =-0.2879 0.7397-0.0000 ( 7762 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0881 -7.0881 -5.2985 -5.2985 -5.2308 -5.2308 -5.0841 -5.0841 -5.0456 -5.0456 -1.0186 -1.0186 -0.6476 -0.6476 -0.0425 -0.0425 0.6232 0.6232 1.5226 1.5226 2.0423 2.0423 2.6157 2.6157 3.7215 3.7215 4.7613 4.7613 5.0873 5.0873 5.4503 5.4503 5.5614 5.5614 5.6646 5.6646 5.7404 5.7404 5.9614 5.9614 6.5480 6.5480 8.5034 8.5034 9.0140 9.0140 9.1921 9.1921 9.3145 9.3145 9.7314 9.7314 k =-0.2879 0.7397 0.0181 ( 7758 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0881 -7.0881 -5.2985 -5.2985 -5.2308 -5.2308 -5.0841 -5.0841 -5.0457 -5.0457 -1.0180 -1.0180 -0.6489 -0.6489 -0.0408 -0.0408 0.6216 0.6216 1.5233 1.5233 2.0380 2.0380 2.6223 2.6223 3.7236 3.7236 4.7496 4.7496 5.0763 5.0763 5.4513 5.4513 5.5722 5.5722 5.6599 5.6599 5.7473 5.7473 5.9723 5.9723 6.5467 6.5467 8.5061 8.5061 9.0000 9.0000 9.1898 9.1898 9.3093 9.3093 9.7245 9.7245 k =-0.2879 0.7397 0.0361 ( 7755 PWs) bands (ev): -20.2887 -20.2887 -20.2870 -20.2870 -7.1123 -7.1123 -7.0882 -7.0882 -5.2985 -5.2985 -5.2308 -5.2308 -5.0838 -5.0838 -5.0459 -5.0459 -1.0161 -1.0161 -0.6528 -0.6528 -0.0354 -0.0354 0.6168 0.6168 1.5253 1.5253 2.0258 2.0258 2.6413 2.6413 3.7298 3.7298 4.7162 4.7162 5.0462 5.0462 5.4527 5.4527 5.6028 5.6028 5.6477 5.6477 5.7665 5.7665 6.0037 6.0037 6.5428 6.5428 8.5140 8.5140 8.9597 8.9597 9.1826 9.1826 9.2965 9.2965 9.7145 9.7145 k =-0.2879 0.7397 0.0542 ( 7745 PWs) bands (ev): -20.2887 -20.2887 -20.2871 -20.2871 -7.1123 -7.1123 -7.0882 -7.0882 -5.2984 -5.2984 -5.2309 -5.2309 -5.0834 -5.0834 -5.0463 -5.0463 -1.0130 -1.0130 -0.6591 -0.6591 -0.0266 -0.0266 0.6088 0.6088 1.5287 1.5287 2.0071 2.0071 2.6714 2.6714 3.7402 3.7402 4.6646 4.6646 5.0029 5.0029 5.4530 5.4530 5.6290 5.6290 5.6509 5.6509 5.7946 5.7946 6.0519 6.0519 6.5367 6.5367 8.5269 8.5269 8.8976 8.8976 9.1700 9.1700 9.2812 9.2812 9.7098 9.7098 k =-0.2879 0.7397 0.0723 ( 7744 PWs) bands (ev): -20.2886 -20.2886 -20.2871 -20.2871 -7.1123 -7.1123 -7.0882 -7.0882 -5.2984 -5.2984 -5.2310 -5.2310 -5.0828 -5.0828 -5.0469 -5.0469 -1.0087 -1.0087 -0.6677 -0.6677 -0.0146 -0.0146 0.5978 0.5978 1.5334 1.5334 1.9838 1.9838 2.7106 2.7106 3.7545 3.7545 4.5994 4.5994 4.9515 4.9515 5.4519 5.4519 5.6106 5.6106 5.7073 5.7073 5.8276 5.8276 6.1133 6.1133 6.5287 6.5287 8.5439 8.5439 8.8202 8.8202 9.1510 9.1510 9.2669 9.2669 9.7092 9.7092 k =-0.2879 0.7397 0.0903 ( 7741 PWs) bands (ev): -20.2886 -20.2886 -20.2871 -20.2871 -7.1123 -7.1123 -7.0882 -7.0882 -5.2984 -5.2984 -5.2311 -5.2311 -5.0820 -5.0820 -5.0476 -5.0476 -1.0032 -1.0032 -0.6782 -0.6782 0.0004 0.0004 0.5838 0.5838 1.5394 1.5394 1.9575 1.9575 2.7573 2.7573 3.7728 3.7728 4.5246 4.5246 4.8952 4.8952 5.4497 5.4497 5.5912 5.5912 5.7711 5.7711 5.8630 5.8630 6.1842 6.1842 6.5193 6.5193 8.5638 8.5638 8.7339 8.7339 9.1249 9.1249 9.2550 9.2550 9.7088 9.7088 k =-0.2879 0.7397 0.1084 ( 7737 PWs) bands (ev): -20.2885 -20.2885 -20.2872 -20.2872 -7.1123 -7.1123 -7.0882 -7.0882 -5.2983 -5.2983 -5.2312 -5.2312 -5.0811 -5.0811 -5.0484 -5.0484 -0.9966 -0.9966 -0.6904 -0.6904 0.0183 0.0183 0.5670 0.5670 1.5466 1.5466 1.9296 1.9296 2.8101 2.8101 3.7947 3.7947 4.4433 4.4433 4.8361 4.8361 5.4467 5.4467 5.5725 5.5725 5.8388 5.8388 5.8992 5.8992 6.2611 6.2611 6.5092 6.5092 8.5844 8.5844 8.6444 8.6444 9.0920 9.0920 9.2463 9.2463 9.7049 9.7049 k =-0.2879 0.7397 0.1265 ( 7740 PWs) bands (ev): -20.2885 -20.2885 -20.2872 -20.2872 -7.1122 -7.1122 -7.0882 -7.0882 -5.2983 -5.2983 -5.2314 -5.2314 -5.0801 -5.0801 -5.0494 -5.0494 -0.9888 -0.9888 -0.7040 -0.7040 0.0386 0.0386 0.5476 0.5476 1.5550 1.5550 1.9011 1.9011 2.8680 2.8680 3.8200 3.8200 4.3583 4.3583 4.7753 4.7753 5.4430 5.4430 5.5551 5.5551 5.9077 5.9077 5.9359 5.9359 6.3407 6.3407 6.4993 6.4993 8.5513 8.5513 8.6069 8.6069 9.0544 9.0544 9.2412 9.2412 9.6939 9.6939 k =-0.2879 0.7397 0.1445 ( 7736 PWs) bands (ev): -20.2884 -20.2884 -20.2873 -20.2873 -7.1122 -7.1122 -7.0882 -7.0882 -5.2982 -5.2982 -5.2316 -5.2316 -5.0790 -5.0790 -5.0505 -5.0505 -0.9800 -0.9800 -0.7187 -0.7187 0.0612 0.0612 0.5258 0.5258 1.5645 1.5645 1.8727 1.8727 2.9301 2.9301 3.8480 3.8480 4.2717 4.2717 4.7136 4.7136 5.4389 5.4389 5.5394 5.5394 5.9654 5.9654 5.9831 5.9831 6.4196 6.4196 6.4910 6.4910 8.4653 8.4653 8.6194 8.6194 9.0173 9.0173 9.2400 9.2400 9.6733 9.6733 k =-0.2879 0.7397 0.1626 ( 7738 PWs) bands (ev): -20.2884 -20.2884 -20.2873 -20.2873 -7.1122 -7.1122 -7.0882 -7.0882 -5.2982 -5.2982 -5.2317 -5.2317 -5.0777 -5.0777 -5.0518 -5.0518 -0.9703 -0.9703 -0.7342 -0.7342 0.0858 0.0858 0.5017 0.5017 1.5751 1.5751 1.8449 1.8449 2.9958 2.9958 3.8771 3.8771 4.1860 4.1860 4.6515 4.6515 5.4345 5.4345 5.5256 5.5256 6.0019 6.0019 6.0478 6.0478 6.4813 6.4813 6.4994 6.4994 8.3849 8.3849 8.6186 8.6186 8.9895 8.9895 9.2431 9.2431 9.6418 9.6418 k =-0.2879 0.7397 0.1807 ( 7748 PWs) bands (ev): -20.2883 -20.2883 -20.2874 -20.2874 -7.1122 -7.1122 -7.0882 -7.0882 -5.2981 -5.2981 -5.2319 -5.2319 -5.0764 -5.0764 -5.0531 -5.0531 -0.9597 -0.9597 -0.7501 -0.7501 0.1122 0.1122 0.4757 0.4757 1.5867 1.5867 1.8181 1.8181 3.0648 3.0648 3.9024 3.9024 4.1070 4.1070 4.5893 4.5893 5.4301 5.4301 5.5137 5.5137 6.0352 6.0352 6.1082 6.1082 6.4842 6.4842 6.5653 6.5653 8.3141 8.3141 8.5967 8.5967 8.9803 8.9803 9.2508 9.2508 9.5999 9.5999 k =-0.2879 0.7397 0.1987 ( 7743 PWs) bands (ev): -20.2882 -20.2882 -20.2875 -20.2875 -7.1122 -7.1122 -7.0883 -7.0883 -5.2981 -5.2981 -5.2321 -5.2321 -5.0750 -5.0750 -5.0544 -5.0544 -0.9485 -0.9485 -0.7661 -0.7661 0.1401 0.1401 0.4480 0.4480 1.5994 1.5994 1.7924 1.7924 3.1368 3.1368 3.9055 3.9055 4.0536 4.0536 4.5274 4.5274 5.4259 5.4259 5.5038 5.5038 6.0667 6.0667 6.1582 6.1582 6.4938 6.4938 6.6232 6.6232 8.2563 8.2563 8.5528 8.5528 8.9931 8.9931 9.2632 9.2632 9.5491 9.5491 k =-0.2879 0.7397 0.2168 ( 7746 PWs) bands (ev): -20.2882 -20.2882 -20.2875 -20.2875 -7.1121 -7.1121 -7.0883 -7.0883 -5.2980 -5.2980 -5.2322 -5.2322 -5.0736 -5.0736 -5.0558 -5.0558 -0.9369 -0.9369 -0.7819 -0.7819 0.1693 0.1693 0.4189 0.4189 1.6130 1.6130 1.7681 1.7681 3.2113 3.2113 3.8585 3.8585 4.0540 4.0540 4.4662 4.4662 5.4220 5.4220 5.4958 5.4958 6.0964 6.0964 6.1930 6.1930 6.5156 6.5156 6.6674 6.6674 8.2147 8.2147 8.4934 8.4934 9.0237 9.0237 9.2804 9.2804 9.4916 9.4916 k =-0.2879 0.7397 0.2349 ( 7738 PWs) bands (ev): -20.2881 -20.2881 -20.2876 -20.2876 -7.1121 -7.1121 -7.0883 -7.0883 -5.2980 -5.2980 -5.2323 -5.2323 -5.0722 -5.0722 -5.0571 -5.0571 -0.9254 -0.9254 -0.7967 -0.7967 0.1996 0.1996 0.3887 0.3887 1.6275 1.6275 1.7452 1.7452 3.2883 3.2883 3.7828 3.7828 4.0870 4.0870 4.4059 4.4059 5.4187 5.4187 5.4897 5.4897 6.1239 6.1239 6.2108 6.2108 6.5497 6.5497 6.6947 6.6947 8.1923 8.1923 8.4267 8.4267 9.0667 9.0667 9.3021 9.3021 9.4300 9.4300 k =-0.2879 0.7397 0.2529 ( 7737 PWs) bands (ev): -20.2880 -20.2880 -20.2877 -20.2877 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2324 -5.2324 -5.0710 -5.0710 -5.0583 -5.0583 -0.9148 -0.9148 -0.8096 -0.8096 0.2306 0.2306 0.3576 0.3576 1.6426 1.6426 1.7241 1.7241 3.3675 3.3675 3.6998 3.6998 4.1311 4.1311 4.3468 4.3468 5.4163 5.4163 5.4854 5.4854 6.1490 6.1490 6.2145 6.2145 6.5912 6.5912 6.7036 6.7036 8.1905 8.1905 8.3598 8.3598 9.1179 9.1179 9.3264 9.3264 9.3684 9.3684 k =-0.2879 0.7397 0.2710 ( 7740 PWs) bands (ev): -20.2879 -20.2879 -20.2878 -20.2878 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2324 -5.2324 -5.0702 -5.0702 -5.0591 -5.0591 -0.9069 -0.9069 -0.8191 -0.8191 0.2621 0.2621 0.3260 0.3260 1.6575 1.6575 1.7057 1.7057 3.4486 3.4486 3.6154 3.6154 4.1804 4.1804 4.2895 4.2895 5.4147 5.4147 5.4829 5.4829 6.1704 6.1704 6.2086 6.2086 6.6334 6.6334 6.6944 6.6944 8.2090 8.2090 8.2983 8.2983 9.1748 9.1748 9.2975 9.2975 9.3641 9.3641 k =-0.2879 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2879 -20.2879 -20.2879 -20.2879 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2325 -5.2325 -5.0699 -5.0699 -5.0594 -5.0594 -0.9038 -0.9038 -0.8227 -0.8227 0.2921 0.2921 0.2961 0.2961 1.6661 1.6661 1.6959 1.6959 3.5294 3.5294 3.5333 3.5333 4.2280 4.2280 4.2393 4.2393 5.4142 5.4142 5.4820 5.4820 6.1823 6.1823 6.2015 6.2015 6.6684 6.6684 6.6708 6.6708 8.2405 8.2405 8.2521 8.2521 9.2346 9.2346 9.2362 9.2362 9.3974 9.3974 k =-0.2879 0.7397 0.2891 ( 7744 PWs) bands (ev): -20.2879 -20.2879 -20.2879 -20.2879 -7.1121 -7.1121 -7.0883 -7.0883 -5.2979 -5.2979 -5.2325 -5.2325 -5.0699 -5.0699 -5.0594 -5.0594 -0.9038 -0.9038 -0.8227 -0.8227 0.2921 0.2921 0.2961 0.2961 1.6661 1.6661 1.6959 1.6959 3.5294 3.5294 3.5333 3.5333 4.2280 4.2280 4.2393 4.2393 5.4142 5.4142 5.4820 5.4820 6.1823 6.1823 6.2015 6.2015 6.6684 6.6684 6.6708 6.6708 8.2405 8.2405 8.2521 8.2521 9.2346 9.2346 9.2362 9.2362 9.3974 9.3974 k =-0.2945 0.7227 0.2891 ( 7744 PWs) bands (ev): -20.2884 -20.2884 -20.2884 -20.2884 -7.1112 -7.1112 -7.0861 -7.0861 -5.2958 -5.2958 -5.2263 -5.2263 -5.0745 -5.0745 -5.0627 -5.0627 -0.9273 -0.9273 -0.8460 -0.8460 0.3280 0.3280 0.3289 0.3289 1.6184 1.6184 1.6500 1.6500 3.6076 3.6076 3.6104 3.6104 4.2075 4.2075 4.2179 4.2179 5.4152 5.4152 5.4815 5.4815 6.2411 6.2411 6.2592 6.2592 6.6811 6.6811 6.6849 6.6849 8.2957 8.2957 8.3065 8.3065 9.1993 9.1993 9.2006 9.2006 9.4016 9.4016 k =-0.3011 0.7056 0.2891 ( 7746 PWs) bands (ev): -20.2891 -20.2891 -20.2891 -20.2891 -7.1100 -7.1100 -7.0836 -7.0836 -5.2929 -5.2929 -5.2194 -5.2194 -5.0795 -5.0795 -5.0662 -5.0662 -0.9545 -0.9545 -0.8733 -0.8733 0.3622 0.3622 0.3649 0.3649 1.5767 1.5767 1.6100 1.6100 3.6853 3.6853 3.6866 3.6866 4.1937 4.1937 4.2025 4.2025 5.4131 5.4131 5.4777 5.4777 6.2935 6.2935 6.3097 6.3097 6.7034 6.7034 6.7089 6.7089 8.3540 8.3540 8.3643 8.3643 9.1605 9.1605 9.1641 9.1641 9.4149 9.4149 k =-0.3078 0.6886 0.2891 ( 7746 PWs) bands (ev): -20.2899 -20.2899 -20.2899 -20.2899 -7.1085 -7.1085 -7.0810 -7.0810 -5.2894 -5.2894 -5.2119 -5.2119 -5.0847 -5.0847 -5.0697 -5.0697 -0.9844 -0.9844 -0.9038 -0.9038 0.3945 0.3945 0.4006 0.4006 1.5419 1.5419 1.5766 1.5766 3.7595 3.7595 3.7604 3.7604 4.1887 4.1887 4.1952 4.1952 5.4078 5.4078 5.4704 5.4704 6.3390 6.3390 6.3527 6.3527 6.7359 6.7359 6.7435 6.7435 8.4142 8.4142 8.4241 8.4241 9.1240 9.1240 9.1293 9.1293 9.4340 9.4340 k =-0.3144 0.6716 0.2891 ( 7750 PWs) bands (ev): -20.2907 -20.2907 -20.2907 -20.2907 -7.1067 -7.1067 -7.0783 -7.0783 -5.2852 -5.2852 -5.2038 -5.2038 -5.0900 -5.0900 -5.0732 -5.0732 -1.0164 -1.0164 -0.9366 -0.9366 0.4240 0.4240 0.4334 0.4334 1.5149 1.5149 1.5505 1.5505 3.8257 3.8257 3.8296 3.8296 4.1961 4.1961 4.1993 4.1993 5.3992 5.3992 5.4599 5.4599 6.3785 6.3785 6.3896 6.3896 6.7780 6.7780 6.7879 6.7879 8.4747 8.4747 8.4843 8.4843 9.0923 9.0923 9.0992 9.0992 9.4575 9.4582 k =-0.3210 0.6545 0.2891 ( 7758 PWs) bands (ev): -20.2916 -20.2916 -20.2916 -20.2916 -7.1047 -7.1047 -7.0754 -7.0754 -5.2804 -5.2804 -5.1953 -5.1953 -5.0954 -5.0954 -5.0767 -5.0767 -1.0498 -1.0498 -0.9709 -0.9709 0.4494 0.4494 0.4616 0.4616 1.4964 1.4964 1.5323 1.5323 3.8809 3.8809 3.8884 3.8884 4.2191 4.2191 4.2200 4.2200 5.3876 5.3876 5.4462 5.4462 6.4138 6.4138 6.4222 6.4222 6.8278 6.8278 6.8398 6.8398 8.5336 8.5336 8.5429 8.5429 9.0681 9.0681 9.0764 9.0764 9.4822 9.4835 k =-0.3276 0.6375 0.2891 ( 7766 PWs) bands (ev): -20.2926 -20.2926 -20.2926 -20.2926 -7.1024 -7.1024 -7.0724 -7.0724 -5.2753 -5.2753 -5.1865 -5.1865 -5.1006 -5.1006 -5.0799 -5.0799 -1.0840 -1.0840 -1.0062 -1.0062 0.4695 0.4695 0.4839 0.4839 1.4869 1.4869 1.5224 1.5224 3.9227 3.9227 3.9332 3.9332 4.2581 4.2581 4.2627 4.2627 5.3733 5.3733 5.4299 5.4299 6.4467 6.4467 6.4528 6.4528 6.8830 6.8830 6.8968 6.8968 8.5882 8.5882 8.5972 8.5972 9.0543 9.0543 9.0635 9.0635 9.5087 9.5089 k =-0.3343 0.6205 0.2891 ( 7754 PWs) bands (ev): -20.2936 -20.2936 -20.2936 -20.2936 -7.1000 -7.1000 -7.0694 -7.0694 -5.2697 -5.2697 -5.1779 -5.1779 -5.1054 -5.1054 -5.0828 -5.0828 -1.1186 -1.1186 -1.0421 -1.0421 0.4834 0.4834 0.4992 0.4992 1.4867 1.4867 1.5208 1.5208 3.9525 3.9525 3.9645 3.9645 4.3156 4.3156 4.3225 4.3225 5.3571 5.3571 5.4116 5.4116 6.4790 6.4790 6.4832 6.4832 6.9415 6.9415 6.9566 6.9566 8.6355 8.6355 8.6436 8.6436 9.0544 9.0544 9.0638 9.0638 9.5308 9.5315 k =-0.3409 0.6034 0.2891 ( 7750 PWs) bands (ev): -20.2947 -20.2947 -20.2946 -20.2946 -7.0974 -7.0974 -7.0664 -7.0664 -5.2641 -5.2641 -5.1700 -5.1700 -5.1090 -5.1090 -5.0852 -5.0852 -1.1533 -1.1533 -1.0781 -1.0781 0.4910 0.4910 0.5073 0.5073 1.4954 1.4954 1.5271 1.5271 3.9752 3.9752 3.9871 3.9871 4.3866 4.3866 4.3944 4.3944 5.3396 5.3396 5.3922 5.3922 6.5117 6.5117 6.5144 6.5144 7.0014 7.0014 7.0175 7.0175 8.6727 8.6727 8.6792 8.6792 9.0714 9.0714 9.0798 9.0798 9.5473 9.5482 k =-0.3475 0.5864 0.2891 ( 7762 PWs) bands (ev): -20.2958 -20.2958 -20.2958 -20.2958 -7.0947 -7.0947 -7.0634 -7.0634 -5.2584 -5.2584 -5.1638 -5.1638 -5.1105 -5.1105 -5.0869 -5.0869 -1.1877 -1.1877 -1.1140 -1.1140 0.4924 0.4924 0.5084 0.5084 1.5119 1.5119 1.5404 1.5404 3.9954 3.9954 4.0063 4.0063 4.4652 4.4652 4.4730 4.4730 5.3219 5.3219 5.3728 5.3728 6.5455 6.5455 6.5471 6.5471 7.0614 7.0614 7.0782 7.0782 8.6991 8.6991 8.7032 8.7032 9.1056 9.1056 9.1117 9.1117 9.5534 9.5543 k =-0.3542 0.5693 0.2891 ( 7778 PWs) bands (ev): -20.2969 -20.2969 -20.2969 -20.2969 -7.0919 -7.0919 -7.0605 -7.0605 -5.2530 -5.2530 -5.1606 -5.1606 -5.1088 -5.1088 -5.0877 -5.0877 -1.2217 -1.2217 -1.1495 -1.1495 0.4882 0.4882 0.5034 0.5034 1.5349 1.5349 1.5597 1.5597 4.0166 4.0166 4.0257 4.0257 4.5468 4.5468 4.5543 4.5543 5.3056 5.3056 5.3548 5.3548 6.5805 6.5805 6.5813 6.5813 7.1205 7.1205 7.1378 7.1378 8.7167 8.7167 8.7182 8.7182 9.1538 9.1538 9.1561 9.1561 9.5453 9.5462 k =-0.3608 0.5523 0.2891 ( 7766 PWs) bands (ev): -20.2981 -20.2981 -20.2981 -20.2981 -7.0890 -7.0890 -7.0577 -7.0577 -5.2481 -5.2481 -5.1609 -5.1609 -5.1032 -5.1032 -5.0874 -5.0874 -1.2548 -1.2548 -1.1844 -1.1844 0.4792 0.4792 0.4931 0.4931 1.5628 1.5628 1.5834 1.5834 4.0408 4.0408 4.0478 4.0478 4.6277 4.6277 4.6345 4.6345 5.2926 5.2926 5.3401 5.3401 6.6169 6.6169 6.6171 6.6171 7.1781 7.1781 7.1956 7.1956 8.7282 8.7282 8.7291 8.7291 9.2060 9.2060 9.2097 9.2097 9.5188 9.5196 k =-0.3674 0.5353 0.2891 ( 7766 PWs) bands (ev): -20.2993 -20.2993 -20.2993 -20.2993 -7.0860 -7.0860 -7.0550 -7.0550 -5.2438 -5.2438 -5.1639 -5.1639 -5.0946 -5.0946 -5.0858 -5.0858 -1.2871 -1.2871 -1.2185 -1.2185 0.4663 0.4663 0.4786 0.4786 1.5940 1.5940 1.6102 1.6102 4.0694 4.0694 4.0741 4.0741 4.7039 4.7039 4.7103 4.7103 5.2855 5.2855 5.3311 5.3311 6.6543 6.6543 6.6544 6.6544 7.2336 7.2336 7.2512 7.2512 8.7367 8.7367 8.7398 8.7398 9.2481 9.2481 9.2619 9.2619 9.4821 9.4821 k =-0.3740 0.5182 0.2891 ( 7770 PWs) bands (ev): -20.3005 -20.3005 -20.3005 -20.3005 -7.0831 -7.0831 -7.0524 -7.0524 -5.2403 -5.2403 -5.1686 -5.1686 -5.0842 -5.0842 -5.0829 -5.0829 -1.3184 -1.3184 -1.2517 -1.2517 0.4505 0.4505 0.4612 0.4612 1.6269 1.6269 1.6386 1.6386 4.1034 4.1034 4.1056 4.1056 4.7711 4.7711 4.7774 4.7774 5.2881 5.2881 5.3313 5.3313 6.6926 6.6926 6.6929 6.6929 7.2868 7.2868 7.3044 7.3044 8.7463 8.7463 8.7512 8.7512 9.2562 9.2562 9.2816 9.2816 9.4629 9.4629 k =-0.3807 0.5012 0.2891 ( 7770 PWs) bands (ev): -20.3017 -20.3017 -20.3017 -20.3017 -7.0801 -7.0801 -7.0500 -7.0500 -5.2378 -5.2378 -5.1742 -5.1742 -5.0784 -5.0784 -5.0726 -5.0726 -1.3484 -1.3484 -1.2838 -1.2838 0.4325 0.4325 0.4416 0.4416 1.6600 1.6600 1.6676 1.6676 4.1431 4.1431 4.1434 4.1434 4.8243 4.8243 4.8315 4.8315 5.3046 5.3046 5.3444 5.3444 6.7317 6.7317 6.7322 6.7322 7.3375 7.3375 7.3550 7.3550 8.7585 8.7585 8.7650 8.7650 9.2132 9.2132 9.2384 9.2384 9.4929 9.4929 k =-0.3873 0.4842 0.2891 ( 7766 PWs) bands (ev): -20.3029 -20.3029 -20.3029 -20.3029 -7.0771 -7.0771 -7.0477 -7.0477 -5.2363 -5.2363 -5.1802 -5.1802 -5.0725 -5.0725 -5.0605 -5.0605 -1.3772 -1.3772 -1.3148 -1.3148 0.4132 0.4132 0.4208 0.4208 1.6924 1.6924 1.6960 1.6960 4.1868 4.1868 4.1897 4.1897 4.8603 4.8603 4.8693 4.8693 5.3379 5.3379 5.3732 5.3732 6.7716 6.7716 6.7723 6.7723 7.3856 7.3856 7.4029 7.4029 8.7741 8.7741 8.7818 8.7818 9.1374 9.1374 9.1577 9.1577 9.5453 9.5453 k =-0.3939 0.4671 0.2891 ( 7764 PWs) bands (ev): -20.3041 -20.3041 -20.3041 -20.3041 -7.0742 -7.0742 -7.0456 -7.0456 -5.2358 -5.2358 -5.1865 -5.1865 -5.0652 -5.0652 -5.0481 -5.0481 -1.4045 -1.4045 -1.3446 -1.3446 0.3931 0.3931 0.3993 0.3993 1.7231 1.7231 1.7231 1.7231 4.2370 4.2370 4.2424 4.2424 4.8792 4.8792 4.8903 4.8903 5.3873 5.3873 5.4175 5.4175 6.8121 6.8121 6.8131 6.8131 7.4311 7.4311 7.4483 7.4483 8.7933 8.7933 8.8018 8.8018 9.0464 9.0464 9.0622 9.0622 9.5933 9.5938 k =-0.4006 0.4501 0.2891 ( 7768 PWs) bands (ev): -20.3052 -20.3052 -20.3052 -20.3052 -7.0713 -7.0713 -7.0438 -7.0438 -5.2361 -5.2361 -5.1928 -5.1928 -5.0567 -5.0567 -5.0357 -5.0357 -1.4304 -1.4304 -1.3730 -1.3730 0.3727 0.3727 0.3776 0.3776 1.7484 1.7484 1.7515 1.7515 4.2937 4.2937 4.3016 4.3016 4.8844 4.8844 4.8974 4.8974 5.4485 5.4485 5.4739 5.4739 6.8533 6.8533 6.8546 6.8546 7.4740 7.4740 7.4911 7.4911 8.8153 8.8153 8.8229 8.8229 8.9494 8.9494 8.9601 8.9601 9.6224 9.6235 k =-0.4072 0.4331 0.2891 ( 7760 PWs) bands (ev): -20.3064 -20.3064 -20.3064 -20.3064 -7.0685 -7.0685 -7.0421 -7.0421 -5.2370 -5.2370 -5.1990 -5.1990 -5.0473 -5.0473 -5.0234 -5.0234 -1.4547 -1.4547 -1.4001 -1.4001 0.3524 0.3524 0.3563 0.3563 1.7714 1.7714 1.7772 1.7772 4.3568 4.3568 4.3671 4.3671 4.8806 4.8806 4.8947 4.8947 5.5164 5.5164 5.5374 5.5374 6.8952 6.8952 6.8972 6.8972 7.5144 7.5144 7.5315 7.5315 8.8151 8.8151 8.8232 8.8232 8.8709 8.8709 8.8794 8.8794 9.6250 9.6253 k =-0.4138 0.4160 0.2891 ( 7756 PWs) bands (ev): -20.3075 -20.3075 -20.3075 -20.3075 -7.0658 -7.0658 -7.0407 -7.0407 -5.2385 -5.2385 -5.2051 -5.2051 -5.0373 -5.0373 -5.0114 -5.0114 -1.4774 -1.4774 -1.4257 -1.4257 0.3327 0.3327 0.3355 0.3355 1.7919 1.7919 1.7999 1.7999 4.4259 4.4259 4.4383 4.4383 4.8714 4.8714 4.8858 4.8858 5.5864 5.5864 5.6035 5.6035 6.9382 6.9382 6.9411 6.9411 7.5521 7.5521 7.5693 7.5693 8.7204 8.7204 8.7317 8.7317 8.8811 8.8811 8.8956 8.8956 9.6009 9.6013 k =-0.4204 0.3990 0.2891 ( 7752 PWs) bands (ev): -20.3085 -20.3085 -20.3085 -20.3085 -7.0632 -7.0632 -7.0395 -7.0395 -5.2403 -5.2403 -5.2110 -5.2110 -5.0267 -5.0267 -4.9998 -4.9998 -1.4985 -1.4985 -1.4499 -1.4499 0.3136 0.3136 0.3157 0.3157 1.8099 1.8099 1.8196 1.8196 4.5003 4.5003 4.5148 4.5148 4.8596 4.8596 4.8735 4.8735 5.6550 5.6550 5.6686 5.6686 6.9828 6.9828 6.9868 6.9868 7.5870 7.5870 7.6045 7.6045 8.6107 8.6107 8.6200 8.6200 8.9113 8.9113 8.9262 8.9262 9.5647 9.5648 k =-0.4271 0.3820 0.2891 ( 7760 PWs) bands (ev): -20.3095 -20.3095 -20.3095 -20.3095 -7.0606 -7.0606 -7.0385 -7.0385 -5.2423 -5.2423 -5.2166 -5.2166 -5.0159 -5.0159 -4.9888 -4.9888 -1.5178 -1.5178 -1.4725 -1.4725 0.2955 0.2955 0.2969 0.2969 1.8254 1.8254 1.8363 1.8363 4.5788 4.5788 4.5955 4.5955 4.8473 4.8473 4.8601 4.8601 5.7196 5.7196 5.7298 5.7298 7.0292 7.0292 7.0347 7.0347 7.6191 7.6191 7.6369 7.6369 8.4982 8.4982 8.5062 8.5062 8.9425 8.9425 8.9578 8.9578 9.5234 9.5234 k =-0.4337 0.3649 0.2891 ( 7762 PWs) bands (ev): -20.3104 -20.3104 -20.3104 -20.3104 -7.0582 -7.0582 -7.0377 -7.0377 -5.2444 -5.2444 -5.2220 -5.2220 -5.0052 -5.0052 -4.9785 -4.9785 -1.5353 -1.5353 -1.4935 -1.4935 0.2786 0.2786 0.2794 0.2794 1.8386 1.8386 1.8502 1.8502 4.6590 4.6590 4.6783 4.6783 4.8374 4.8374 4.8481 4.8481 5.7779 5.7779 5.7850 5.7850 7.0779 7.0779 7.0851 7.0851 7.6479 7.6479 7.6663 7.6663 8.3854 8.3854 8.3924 8.3924 8.9707 8.9707 8.9860 8.9860 9.4847 9.4847 k =-0.4403 0.3479 0.2891 ( 7762 PWs) bands (ev): -20.3113 -20.3113 -20.3113 -20.3113 -7.0559 -7.0559 -7.0371 -7.0371 -5.2465 -5.2465 -5.2270 -5.2270 -4.9946 -4.9946 -4.9690 -4.9690 -1.5511 -1.5511 -1.5128 -1.5128 0.2629 0.2629 0.2633 0.2633 1.8497 1.8497 1.8615 1.8615 4.7319 4.7319 4.7547 4.7547 4.8386 4.8386 4.8459 4.8459 5.8284 5.8284 5.8324 5.8324 7.1291 7.1291 7.1382 7.1382 7.6733 7.6733 7.6924 7.6924 8.2740 8.2740 8.2801 8.2801 8.9911 8.9911 9.0060 9.0060 9.4564 9.4564 k =-0.4470 0.3309 0.2891 ( 7782 PWs) bands (ev): -20.3121 -20.3121 -20.3121 -20.3121 -7.0537 -7.0537 -7.0368 -7.0368 -5.2484 -5.2484 -5.2316 -5.2316 -4.9844 -4.9844 -4.9605 -4.9605 -1.5650 -1.5650 -1.5305 -1.5305 0.2486 0.2486 0.2487 0.2487 1.8589 1.8589 1.8704 1.8704 4.7680 4.7680 4.7881 4.7881 4.8800 4.8800 4.8893 4.8893 5.8697 5.8697 5.8708 5.8708 7.1826 7.1826 7.1938 7.1938 7.6949 7.6949 7.7147 7.7147 8.1656 8.1656 8.1711 8.1711 8.9989 8.9989 9.0124 9.0124 9.4456 9.4457 k =-0.4536 0.3138 0.2891 ( 7778 PWs) bands (ev): -20.3128 -20.3128 -20.3128 -20.3128 -7.0516 -7.0516 -7.0366 -7.0366 -5.2502 -5.2502 -5.2359 -5.2359 -4.9748 -4.9748 -4.9529 -4.9529 -1.5771 -1.5771 -1.5465 -1.5465 0.2357 0.2357 0.2358 0.2358 1.8664 1.8664 1.8774 1.8774 4.7693 4.7693 4.7845 4.7845 4.9585 4.9585 4.9716 4.9716 5.8993 5.8993 5.9009 5.9009 7.2381 7.2381 7.2514 7.2514 7.7121 7.7121 7.7329 7.7329 8.0622 8.0622 8.0671 8.0671 8.9918 8.9918 9.0032 9.0032 9.4554 9.4554 k =-0.4602 0.2968 0.2891 ( 7778 PWs) bands (ev): -20.3134 -20.3134 -20.3134 -20.3134 -7.0496 -7.0496 -7.0366 -7.0366 -5.2518 -5.2518 -5.2398 -5.2398 -4.9659 -4.9659 -4.9464 -4.9464 -1.5872 -1.5872 -1.5608 -1.5608 0.2243 0.2243 0.2246 0.2246 1.8725 1.8725 1.8825 1.8825 4.7627 4.7627 4.7750 4.7750 5.0458 5.0458 5.0604 5.0604 5.9176 5.9176 5.9215 5.9215 7.2946 7.2946 7.3101 7.3101 7.7245 7.7245 7.7465 7.7465 7.9663 7.9663 7.9703 7.9703 8.9721 8.9721 8.9813 8.9813 9.4826 9.4827 k =-0.4669 0.2798 0.2891 ( 7782 PWs) bands (ev): -20.3139 -20.3139 -20.3139 -20.3139 -7.0477 -7.0477 -7.0368 -7.0368 -5.2530 -5.2530 -5.2432 -5.2432 -4.9578 -4.9578 -4.9410 -4.9410 -1.5955 -1.5955 -1.5732 -1.5732 0.2146 0.2146 0.2149 0.2149 1.8774 1.8774 1.8862 1.8862 4.7553 4.7553 4.7653 4.7653 5.1331 5.1331 5.1480 5.1480 5.9258 5.9258 5.9316 5.9316 7.3511 7.3511 7.3684 7.3684 7.7309 7.7309 7.7546 7.7546 7.8807 7.8807 7.8832 7.8832 8.9451 8.9451 8.9525 8.9525 9.5203 9.5203 k =-0.4735 0.2627 0.2891 ( 7772 PWs) bands (ev): -20.3144 -20.3144 -20.3144 -20.3144 -7.0460 -7.0460 -7.0372 -7.0372 -5.2540 -5.2540 -5.2462 -5.2462 -4.9507 -4.9507 -4.9369 -4.9369 -1.6018 -1.6018 -1.5839 -1.5839 0.2066 0.2066 0.2070 0.2070 1.8813 1.8813 1.8886 1.8886 4.7486 4.7486 4.7565 4.7565 5.2164 5.2164 5.2307 5.2307 5.9249 5.9249 5.9318 5.9318 7.4057 7.4057 7.4248 7.4248 7.7275 7.7275 7.7547 7.7547 7.8102 7.8102 7.8111 7.8111 8.9164 8.9164 8.9221 8.9221 9.5607 9.5622 k =-0.4801 0.2457 0.2891 ( 7788 PWs) bands (ev): -20.3147 -20.3147 -20.3147 -20.3147 -7.0444 -7.0444 -7.0378 -7.0378 -5.2545 -5.2545 -5.2487 -5.2487 -4.9446 -4.9446 -4.9341 -4.9341 -1.6063 -1.6063 -1.5927 -1.5927 0.2004 0.2004 0.2007 0.2007 1.8844 1.8844 1.8901 1.8901 4.7434 4.7434 4.7493 4.7493 5.2917 5.2917 5.3044 5.3044 5.9167 5.9167 5.9240 5.9240 7.4569 7.4569 7.4773 7.4773 7.7031 7.7031 7.7277 7.7277 7.7709 7.7709 7.7721 7.7721 8.8900 8.8900 8.8944 8.8944 9.5953 9.5999 k =-0.4867 0.2287 0.2891 ( 7780 PWs) bands (ev): -20.3150 -20.3150 -20.3150 -20.3150 -7.0429 -7.0429 -7.0385 -7.0385 -5.2546 -5.2546 -5.2508 -5.2508 -4.9397 -4.9397 -4.9326 -4.9326 -1.6088 -1.6088 -1.5997 -1.5997 0.1960 0.1960 0.1962 0.1962 1.8868 1.8868 1.8907 1.8907 4.7397 4.7397 4.7437 4.7437 5.3541 5.3541 5.3640 5.3640 5.9050 5.9050 5.9113 5.9113 7.5029 7.5029 7.5237 7.5237 7.6622 7.6622 7.6812 7.6812 7.7573 7.7573 7.7627 7.7627 8.8693 8.8693 8.8723 8.8723 9.6173 9.6190 k =-0.4934 0.2116 0.2891 ( 7788 PWs) bands (ev): -20.3151 -20.3151 -20.3151 -20.3151 -7.0416 -7.0416 -7.0394 -7.0394 -5.2543 -5.2543 -5.2524 -5.2524 -4.9360 -4.9360 -4.9324 -4.9324 -1.6094 -1.6094 -1.6048 -1.6048 0.1934 0.1934 0.1935 0.1935 1.8886 1.8886 1.8906 1.8906 4.7379 4.7379 4.7399 4.7399 5.3972 5.3972 5.4028 5.4028 5.8950 5.8950 5.8988 5.8988 7.5424 7.5424 7.5611 7.5611 7.6255 7.6255 7.6422 7.6422 7.7523 7.7523 7.7563 7.7563 8.8563 8.8563 8.8578 8.8578 9.6297 9.6321 k =-0.5000 0.1946 0.2891 ( 7788 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0404 -7.0404 -7.0404 -7.0404 -5.2536 -5.2536 -5.2536 -5.2536 -4.9335 -4.9335 -4.9335 -4.9335 -1.6081 -1.6081 -1.6081 -1.6081 0.1925 0.1925 0.1925 0.1925 1.8899 1.8899 1.8899 1.8899 4.7380 4.7380 4.7380 4.7380 5.4147 5.4147 5.4147 5.4147 5.8923 5.8923 5.8923 5.8923 7.5717 7.5717 7.5717 7.5717 7.6144 7.6144 7.6144 7.6144 7.7521 7.7521 7.7521 7.7521 8.8523 8.8523 8.8523 8.8523 9.6342 9.6342 k =-0.5000 0.1946 0.2891 ( 7788 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0404 -7.0404 -7.0404 -7.0404 -5.2536 -5.2536 -5.2536 -5.2536 -4.9335 -4.9335 -4.9335 -4.9335 -1.6081 -1.6081 -1.6081 -1.6081 0.1925 0.1925 0.1925 0.1925 1.8899 1.8899 1.8899 1.8899 4.7380 4.7380 4.7380 4.7380 5.4147 5.4147 5.4147 5.4147 5.8923 5.8923 5.8923 5.8923 7.5717 7.5717 7.5717 7.5717 7.6144 7.6144 7.6144 7.6144 7.7521 7.7521 7.7521 7.7521 8.8523 8.8523 8.8523 8.8523 9.6342 9.6342 k =-0.5000 0.1946 0.2710 ( 7796 PWs) bands (ev): -20.3152 -20.3152 -20.3151 -20.3151 -7.0407 -7.0407 -7.0401 -7.0401 -5.2543 -5.2543 -5.2529 -5.2529 -4.9343 -4.9343 -4.9328 -4.9328 -1.6308 -1.6308 -1.5842 -1.5842 0.1318 0.1318 0.2539 0.2539 1.8223 1.8223 1.9602 1.9602 4.6332 4.6332 4.8433 4.8433 5.4018 5.4018 5.4280 5.4280 5.7570 5.7570 6.0284 6.0284 7.5390 7.5390 7.5570 7.5570 7.6048 7.6048 7.6734 7.6734 7.7027 7.7027 7.8018 7.8018 8.7929 8.7929 8.9117 8.9117 9.5545 9.5545 k =-0.5000 0.1946 0.2529 ( 7790 PWs) bands (ev): -20.3153 -20.3153 -20.3150 -20.3150 -7.0410 -7.0410 -7.0398 -7.0398 -5.2550 -5.2550 -5.2521 -5.2521 -4.9351 -4.9351 -4.9321 -4.9321 -1.6522 -1.6522 -1.5592 -1.5592 0.0720 0.0720 0.3156 0.3156 1.7577 1.7577 2.0331 2.0331 4.5293 4.5293 4.9489 4.9489 5.3895 5.3895 5.4415 5.4415 5.6239 5.6239 6.1638 6.1638 7.4851 7.4851 7.5288 7.5288 7.6306 7.6306 7.6546 7.6546 7.7358 7.7358 7.8512 7.8512 8.7349 8.7349 8.9686 8.9686 9.4829 9.4829 k =-0.5000 0.1946 0.2349 ( 7792 PWs) bands (ev): -20.3154 -20.3154 -20.3149 -20.3149 -7.0413 -7.0413 -7.0395 -7.0395 -5.2557 -5.2557 -5.2514 -5.2514 -4.9359 -4.9359 -4.9315 -4.9315 -1.6723 -1.6723 -1.5333 -1.5333 0.0134 0.0134 0.3771 0.3771 1.6964 1.6964 2.1082 2.1082 4.4265 4.4265 5.0546 5.0546 5.3779 5.3779 5.4532 5.4532 5.4956 5.4956 6.2968 6.2968 7.4285 7.4285 7.5034 7.5034 7.6103 7.6103 7.6576 7.6576 7.7990 7.7990 7.9003 7.9003 8.6791 8.6791 9.0181 9.0181 9.4252 9.4252 k =-0.5000 0.1946 0.2168 ( 7780 PWs) bands (ev): -20.3155 -20.3155 -20.3148 -20.3148 -7.0416 -7.0416 -7.0393 -7.0393 -5.2563 -5.2563 -5.2506 -5.2506 -4.9367 -4.9367 -4.9310 -4.9310 -1.6910 -1.6910 -1.5065 -1.5065 -0.0437 -0.0437 0.4382 0.4382 1.6385 1.6385 2.1855 2.1855 4.3249 4.3249 5.1600 5.1600 5.3606 5.3606 5.3712 5.3712 5.4717 5.4717 6.4245 6.4245 7.3736 7.3736 7.4732 7.4732 7.5770 7.5770 7.6844 7.6844 7.8620 7.8620 7.9485 7.9485 8.6262 8.6262 9.0509 9.0509 9.3914 9.3914 k =-0.5000 0.1946 0.1987 ( 7778 PWs) bands (ev): -20.3156 -20.3156 -20.3148 -20.3148 -7.0418 -7.0418 -7.0390 -7.0390 -5.2568 -5.2568 -5.2499 -5.2499 -4.9374 -4.9374 -4.9306 -4.9306 -1.7084 -1.7084 -1.4792 -1.4792 -0.0990 -0.0990 0.4984 0.4984 1.5843 1.5843 2.2645 2.2645 4.2249 4.2249 5.2409 5.2409 5.2646 5.2646 5.3596 5.3596 5.4853 5.4853 6.5435 6.5435 7.3211 7.3211 7.4320 7.4320 7.5636 7.5636 7.7109 7.7109 7.9242 7.9242 7.9954 7.9954 8.5767 8.5767 9.0565 9.0565 9.3924 9.3924 k =-0.5000 0.1946 0.1807 ( 7766 PWs) bands (ev): -20.3157 -20.3157 -20.3147 -20.3147 -7.0420 -7.0420 -7.0387 -7.0387 -5.2573 -5.2573 -5.2492 -5.2492 -4.9381 -4.9381 -4.9303 -4.9303 -1.7242 -1.7242 -1.4515 -1.4515 -0.1522 -0.1522 0.5570 0.5570 1.5340 1.5340 2.3451 2.3451 4.1266 4.1266 5.1242 5.1242 5.3367 5.3367 5.3825 5.3825 5.4992 5.4992 6.6493 6.6493 7.2715 7.2715 7.3806 7.3806 7.5731 7.5731 7.7370 7.7370 7.9850 7.9850 8.0401 8.0401 8.5314 8.5314 9.0360 9.0360 9.4275 9.4275 k =-0.5000 0.1946 0.1626 ( 7772 PWs) bands (ev): -20.3157 -20.3157 -20.3146 -20.3146 -7.0423 -7.0423 -7.0385 -7.0385 -5.2577 -5.2577 -5.2486 -5.2486 -4.9387 -4.9387 -4.9302 -4.9302 -1.7386 -1.7386 -1.4237 -1.4237 -0.2031 -0.2031 0.6134 0.6134 1.4877 1.4877 2.4268 2.4268 4.0305 4.0305 5.0125 5.0125 5.3350 5.3350 5.4801 5.4801 5.5129 5.5129 6.7366 6.7366 7.2251 7.2251 7.3235 7.3235 7.6054 7.6054 7.7625 7.7625 8.0433 8.0433 8.0812 8.0812 8.4915 8.4915 9.0016 9.0016 9.4845 9.4845 k =-0.5000 0.1946 0.1445 ( 7758 PWs) bands (ev): -20.3158 -20.3158 -20.3145 -20.3145 -7.0425 -7.0425 -7.0382 -7.0382 -5.2581 -5.2581 -5.2480 -5.2480 -4.9392 -4.9392 -4.9301 -4.9301 -1.7515 -1.7515 -1.3962 -1.3962 -0.2512 -0.2512 0.6671 0.6671 1.4457 1.4457 2.5095 2.5095 3.9366 3.9366 4.9075 4.9075 5.3281 5.3281 5.5260 5.5260 5.5828 5.5828 6.8012 6.8012 7.1823 7.1823 7.2643 7.2643 7.6605 7.6605 7.7874 7.7874 8.0969 8.0969 8.1182 8.1182 8.4585 8.4585 8.9635 8.9635 9.5532 9.5532 k =-0.5000 0.1946 0.1265 ( 7756 PWs) bands (ev): -20.3158 -20.3158 -20.3145 -20.3145 -7.0426 -7.0426 -7.0380 -7.0380 -5.2584 -5.2584 -5.2475 -5.2475 -4.9397 -4.9397 -4.9300 -4.9300 -1.7629 -1.7629 -1.3695 -1.3695 -0.2960 -0.2960 0.7173 0.7173 1.4082 1.4082 2.5927 2.5927 3.8452 3.8452 4.8103 4.8103 5.3215 5.3215 5.5384 5.5384 5.6847 5.6847 6.8409 6.8409 7.1429 7.1429 7.2063 7.2063 7.7364 7.7364 7.8117 7.8117 8.1349 8.1349 8.1582 8.1582 8.4348 8.4348 8.9269 8.9269 9.6279 9.6279 k =-0.5000 0.1946 0.1084 ( 7756 PWs) bands (ev): -20.3159 -20.3159 -20.3144 -20.3144 -7.0428 -7.0428 -7.0378 -7.0378 -5.2586 -5.2586 -5.2470 -5.2470 -4.9400 -4.9400 -4.9301 -4.9301 -1.7728 -1.7728 -1.3440 -1.3440 -0.3371 -0.3371 0.7631 0.7631 1.3753 1.3753 2.6759 2.6759 3.7565 3.7565 4.7220 4.7220 5.3156 5.3156 5.5498 5.5498 5.7848 5.7848 6.8553 6.8553 7.1071 7.1071 7.1542 7.1542 7.8277 7.8277 7.8355 7.8355 8.1512 8.1512 8.2036 8.2036 8.4224 8.4224 8.8945 8.8945 9.7050 9.7050 k =-0.5000 0.1946 0.0903 ( 7754 PWs) bands (ev): -20.3159 -20.3159 -20.3144 -20.3144 -7.0429 -7.0429 -7.0377 -7.0377 -5.2588 -5.2588 -5.2466 -5.2466 -4.9403 -4.9403 -4.9302 -4.9302 -1.7811 -1.7811 -1.3203 -1.3203 -0.3739 -0.3739 0.8038 0.8038 1.3472 1.3472 2.7585 2.7585 3.6707 3.6707 4.6438 4.6438 5.3105 5.3105 5.5599 5.5599 5.8822 5.8822 6.8449 6.8449 7.0750 7.0750 7.1133 7.1133 7.8584 7.8584 7.9272 7.9272 8.1532 8.1532 8.2454 8.2454 8.4215 8.4215 8.8677 8.8677 9.7817 9.7817 k =-0.5000 0.1946 0.0723 ( 7768 PWs) bands (ev): -20.3160 -20.3160 -20.3144 -20.3144 -7.0430 -7.0430 -7.0375 -7.0375 -5.2590 -5.2590 -5.2463 -5.2463 -4.9405 -4.9405 -4.9304 -4.9304 -1.7880 -1.7880 -1.2994 -1.2994 -0.4056 -0.4056 0.8386 0.8386 1.3240 1.3240 2.8395 2.8395 3.5882 3.5882 4.5772 4.5772 5.3063 5.3063 5.5686 5.5686 5.9754 5.9754 6.8122 6.8122 7.0484 7.0484 7.0851 7.0851 7.8803 7.8803 8.0264 8.0264 8.1452 8.1452 8.2815 8.2815 8.4289 8.4289 8.8471 8.8471 9.8535 9.8535 k =-0.5000 0.1946 0.0542 ( 7760 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0431 -7.0431 -7.0374 -7.0374 -5.2591 -5.2591 -5.2460 -5.2460 -4.9406 -4.9406 -4.9305 -4.9305 -1.7933 -1.7933 -1.2819 -1.2819 -0.4314 -0.4314 0.8666 0.8666 1.3059 1.3059 2.9173 2.9173 3.5103 3.5103 4.5234 4.5234 5.3031 5.3031 5.5756 5.5756 6.0618 6.0618 6.7645 6.7645 7.0286 7.0286 7.0672 7.0672 7.9004 7.9004 8.1134 8.1134 8.1351 8.1351 8.3106 8.3106 8.4399 8.4399 8.8330 8.8330 9.8944 9.8961 k =-0.5000 0.1946 0.0361 ( 7754 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0374 -7.0374 -5.2592 -5.2592 -5.2459 -5.2459 -4.9406 -4.9406 -4.9306 -4.9306 -1.7971 -1.7971 -1.2686 -1.2686 -0.4506 -0.4506 0.8871 0.8871 1.2929 1.2929 2.9885 2.9885 3.4396 3.4396 4.4839 4.4839 5.3007 5.3007 5.5808 5.5808 6.1368 6.1368 6.7130 6.7130 7.0150 7.0150 7.0566 7.0566 7.9175 7.9175 8.1151 8.1151 8.1922 8.1922 8.3320 8.3320 8.4504 8.4504 8.8251 8.8251 9.9030 9.9031 k =-0.5000 0.1946 0.0181 ( 7764 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0373 -7.0373 -5.2592 -5.2592 -5.2458 -5.2458 -4.9407 -4.9407 -4.9307 -4.9307 -1.7994 -1.7994 -1.2603 -1.2603 -0.4625 -0.4625 0.8997 0.8997 1.2850 1.2850 3.0446 3.0446 3.3840 3.3840 4.4597 4.4597 5.2993 5.2993 5.5839 5.5839 6.1914 6.1914 6.6711 6.6711 7.0069 7.0069 7.0510 7.0510 7.9295 7.9295 8.1042 8.1042 8.2396 8.2396 8.3451 8.3451 8.4576 8.4576 8.8218 8.8218 9.9089 9.9089 k =-0.5000 0.1946 0.0000 ( 7766 PWs) bands (ev): -20.3160 -20.3160 -20.3143 -20.3143 -7.0432 -7.0432 -7.0373 -7.0373 -5.2592 -5.2592 -5.2457 -5.2457 -4.9407 -4.9407 -4.9308 -4.9308 -1.8001 -1.8001 -1.2574 -1.2574 -0.4665 -0.4665 0.9039 0.9039 1.2824 1.2824 3.0679 3.0679 3.3609 3.3609 4.4516 4.4516 5.2988 5.2988 5.5850 5.5850 6.2122 6.2122 6.6543 6.6543 7.0042 7.0042 7.0492 7.0492 7.9340 7.9340 8.1000 8.1000 8.2562 8.2562 8.3496 8.3496 8.4602 8.4602 8.8211 8.8211 9.9098 9.9098 k = 0.0000 0.0000 0.2891 ( 7784 PWs) bands (ev): -20.3167 -20.3167 -20.3167 -20.3167 -7.0061 -7.0061 -7.0061 -7.0061 -5.1467 -5.1467 -5.1467 -5.1467 -4.9087 -4.9087 -4.9087 -4.9087 -2.1550 -2.1550 -2.1550 -2.1550 0.3202 0.3202 0.3202 0.3202 3.5981 3.5981 3.5981 3.5981 3.8001 3.8001 3.8001 3.8001 5.0604 5.0604 5.0604 5.0604 5.4582 5.4582 5.4582 5.4582 6.6327 6.6327 6.6327 6.6327 7.2474 7.2474 7.2474 7.2474 7.7777 7.7777 7.7777 7.7777 8.5974 8.5974 8.5974 8.5974 9.1686 9.1686 k =-0.0172 0.0067 0.2891 ( 7784 PWs) bands (ev): -20.3167 -20.3167 -20.3167 -20.3167 -7.0062 -7.0062 -7.0062 -7.0062 -5.1470 -5.1470 -5.1470 -5.1470 -4.9088 -4.9088 -4.9088 -4.9088 -2.1535 -2.1535 -2.1535 -2.1535 0.3202 0.3202 0.3202 0.3202 3.5436 3.5436 3.5436 3.5436 3.8572 3.8572 3.8572 3.8572 5.0595 5.0595 5.0595 5.0595 5.4581 5.4581 5.4581 5.4581 6.6306 6.6306 6.6306 6.6306 7.2478 7.2478 7.2478 7.2478 7.7829 7.7829 7.7829 7.7829 8.5930 8.5930 8.5930 8.5930 9.1715 9.1715 k =-0.0345 0.0134 0.2891 ( 7788 PWs) bands (ev): -20.3167 -20.3167 -20.3167 -20.3167 -7.0065 -7.0065 -7.0065 -7.0065 -5.1479 -5.1479 -5.1479 -5.1479 -4.9093 -4.9093 -4.9093 -4.9093 -2.1490 -2.1490 -2.1490 -2.1490 0.3201 0.3201 0.3201 0.3201 3.4441 3.4441 3.4441 3.4441 3.9643 3.9643 3.9643 3.9643 5.0569 5.0569 5.0569 5.0569 5.4579 5.4579 5.4579 5.4579 6.6246 6.6246 6.6246 6.6246 7.2491 7.2491 7.2491 7.2491 7.7983 7.7983 7.7983 7.7983 8.5801 8.5801 8.5801 8.5801 9.1800 9.1800 k =-0.0517 0.0201 0.2891 ( 7792 PWs) bands (ev): -20.3166 -20.3166 -20.3166 -20.3166 -7.0069 -7.0069 -7.0069 -7.0069 -5.1493 -5.1493 -5.1493 -5.1493 -4.9101 -4.9101 -4.9101 -4.9101 -2.1417 -2.1417 -2.1417 -2.1417 0.3199 0.3199 0.3199 0.3199 3.3376 3.3376 3.3376 3.3376 4.0833 4.0833 4.0833 4.0833 5.0525 5.0525 5.0525 5.0525 5.4576 5.4576 5.4576 5.4576 6.6152 6.6152 6.6152 6.6152 7.2513 7.2513 7.2513 7.2513 7.8232 7.8232 7.8232 7.8232 8.5593 8.5593 8.5593 8.5593 9.1942 9.1942 k =-0.0690 0.0268 0.2891 ( 7792 PWs) bands (ev): -20.3166 -20.3166 -20.3166 -20.3166 -7.0076 -7.0076 -7.0076 -7.0076 -5.1513 -5.1513 -5.1513 -5.1513 -4.9112 -4.9112 -4.9112 -4.9112 -2.1315 -2.1315 -2.1315 -2.1315 0.3196 0.3196 0.3196 0.3196 3.2313 3.2313 3.2313 3.2313 4.2071 4.2071 4.2071 4.2071 5.0465 5.0465 5.0465 5.0465 5.4571 5.4571 5.4571 5.4571 6.6032 6.6032 6.6032 6.6032 7.2546 7.2546 7.2546 7.2546 7.8566 7.8566 7.8566 7.8566 8.5318 8.5318 8.5318 8.5318 9.2138 9.2138 k =-0.0862 0.0335 0.2891 ( 7800 PWs) bands (ev): -20.3166 -20.3166 -20.3166 -20.3166 -7.0084 -7.0084 -7.0084 -7.0084 -5.1539 -5.1539 -5.1539 -5.1539 -4.9124 -4.9124 -4.9124 -4.9124 -2.1185 -2.1185 -2.1185 -2.1185 0.3191 0.3191 0.3191 0.3191 3.1269 3.1269 3.1269 3.1269 4.3334 4.3334 4.3334 4.3334 5.0390 5.0390 5.0390 5.0390 5.4565 5.4565 5.4565 5.4565 6.5896 6.5896 6.5896 6.5896 7.2589 7.2589 7.2589 7.2589 7.8971 7.8971 7.8971 7.8971 8.4990 8.4990 8.4990 8.4990 9.2387 9.2387 k =-0.1034 0.0403 0.2891 ( 7784 PWs) bands (ev): -20.3165 -20.3165 -20.3165 -20.3165 -7.0094 -7.0094 -7.0094 -7.0094 -5.1570 -5.1570 -5.1570 -5.1570 -4.9139 -4.9139 -4.9139 -4.9139 -2.1030 -2.1030 -2.1030 -2.1030 0.3184 0.3184 0.3184 0.3184 3.0255 3.0255 3.0255 3.0255 4.4610 4.4610 4.4610 4.4610 5.0303 5.0303 5.0303 5.0303 5.4558 5.4558 5.4558 5.4558 6.5755 6.5755 6.5755 6.5755 7.2644 7.2644 7.2644 7.2644 7.9430 7.9430 7.9430 7.9430 8.4630 8.4630 8.4630 8.4630 9.2685 9.2685 k =-0.1207 0.0470 0.2891 ( 7784 PWs) bands (ev): -20.3165 -20.3165 -20.3165 -20.3165 -7.0106 -7.0106 -7.0106 -7.0106 -5.1606 -5.1606 -5.1606 -5.1606 -4.9155 -4.9155 -4.9155 -4.9155 -2.0850 -2.0850 -2.0850 -2.0850 0.3174 0.3174 0.3174 0.3174 2.9274 2.9274 2.9274 2.9274 4.5889 4.5889 4.5889 4.5889 5.0206 5.0206 5.0206 5.0206 5.4548 5.4548 5.4548 5.4548 6.5621 6.5621 6.5621 6.5621 7.2711 7.2711 7.2711 7.2711 7.9917 7.9917 7.9917 7.9917 8.4263 8.4263 8.4263 8.4263 9.3029 9.3029 k =-0.1379 0.0537 0.2891 ( 7776 PWs) bands (ev): -20.3164 -20.3164 -20.3164 -20.3164 -7.0119 -7.0119 -7.0119 -7.0119 -5.1646 -5.1646 -5.1646 -5.1646 -4.9172 -4.9172 -4.9172 -4.9172 -2.0648 -2.0648 -2.0648 -2.0648 0.3160 0.3160 0.3160 0.3160 2.8330 2.8330 2.8330 2.8330 4.7153 4.7153 4.7153 4.7153 5.0111 5.0111 5.0111 5.0111 5.4537 5.4537 5.4537 5.4537 6.5505 6.5505 6.5505 6.5505 7.2793 7.2793 7.2793 7.2793 8.0393 8.0393 8.0393 8.0393 8.3932 8.3932 8.3932 8.3932 9.3414 9.3414 k =-0.1552 0.0604 0.2891 ( 7772 PWs) bands (ev): -20.3163 -20.3163 -20.3163 -20.3163 -7.0134 -7.0134 -7.0134 -7.0134 -5.1692 -5.1692 -5.1692 -5.1692 -4.9189 -4.9189 -4.9189 -4.9189 -2.0426 -2.0426 -2.0426 -2.0426 0.3142 0.3142 0.3142 0.3142 2.7425 2.7425 2.7425 2.7425 4.8359 4.8359 4.8359 4.8359 5.0053 5.0053 5.0053 5.0053 5.4524 5.4524 5.4524 5.4524 6.5418 6.5418 6.5418 6.5418 7.2889 7.2889 7.2889 7.2889 8.0783 8.0783 8.0783 8.0783 8.3710 8.3710 8.3710 8.3710 9.3834 9.3834 k =-0.1724 0.0671 0.2891 ( 7770 PWs) bands (ev): -20.3163 -20.3163 -20.3163 -20.3163 -7.0149 -7.0149 -7.0149 -7.0149 -5.1741 -5.1741 -5.1741 -5.1741 -4.9206 -4.9206 -4.9206 -4.9206 -2.0185 -2.0185 -2.0185 -2.0185 0.3118 0.3118 0.3118 0.3118 2.6562 2.6562 2.6562 2.6562 4.9258 4.9258 4.9258 4.9258 5.0273 5.0273 5.0273 5.0273 5.4509 5.4509 5.4509 5.4509 6.5374 6.5374 6.5374 6.5374 7.3001 7.3001 7.3001 7.3001 8.0979 8.0979 8.0979 8.0979 8.3707 8.3707 8.3707 8.3707 9.4282 9.4282 k =-0.1897 0.0738 0.2891 ( 7774 PWs) bands (ev): -20.3162 -20.3162 -20.3162 -20.3162 -7.0166 -7.0166 -7.0166 -7.0166 -5.1793 -5.1793 -5.1793 -5.1793 -4.9223 -4.9223 -4.9223 -4.9223 -1.9929 -1.9929 -1.9929 -1.9929 0.3088 0.3088 0.3088 0.3088 2.5741 2.5741 2.5741 2.5741 4.9422 4.9422 4.9422 4.9422 5.1187 5.1187 5.1187 5.1187 5.4493 5.4493 5.4493 5.4493 6.5387 6.5387 6.5387 6.5387 7.3129 7.3129 7.3129 7.3129 8.0916 8.0916 8.0916 8.0916 8.3984 8.3984 8.3984 8.3984 9.4742 9.4742 k =-0.2069 0.0805 0.2891 ( 7782 PWs) bands (ev): -20.3161 -20.3161 -20.3161 -20.3161 -7.0183 -7.0183 -7.0183 -7.0183 -5.1848 -5.1848 -5.1848 -5.1848 -4.9238 -4.9238 -4.9238 -4.9238 -1.9659 -1.9659 -1.9659 -1.9659 0.3051 0.3051 0.3051 0.3051 2.4965 2.4965 2.4965 2.4965 4.9330 4.9330 4.9330 4.9330 5.2300 5.2300 5.2300 5.2300 5.4475 5.4475 5.4475 5.4475 6.5472 6.5472 6.5472 6.5472 7.3273 7.3273 7.3273 7.3273 8.0657 8.0657 8.0657 8.0657 8.4472 8.4472 8.4472 8.4472 9.5158 9.5159 k =-0.2241 0.0872 0.2891 ( 7772 PWs) bands (ev): -20.3160 -20.3160 -20.3160 -20.3160 -7.0201 -7.0201 -7.0201 -7.0201 -5.1905 -5.1905 -5.1905 -5.1905 -4.9253 -4.9253 -4.9253 -4.9253 -1.9379 -1.9379 -1.9379 -1.9379 0.3007 0.3007 0.3007 0.3007 2.4235 2.4235 2.4235 2.4235 4.9190 4.9190 4.9190 4.9190 5.3387 5.3387 5.3387 5.3387 5.4459 5.4459 5.4459 5.4459 6.5647 6.5647 6.5647 6.5647 7.3432 7.3432 7.3432 7.3432 8.0299 8.0299 8.0299 8.0299 8.5069 8.5069 8.5069 8.5069 9.5314 9.5314 k =-0.2414 0.0939 0.2891 ( 7774 PWs) bands (ev): -20.3160 -20.3160 -20.3160 -20.3160 -7.0220 -7.0220 -7.0220 -7.0220 -5.1964 -5.1964 -5.1964 -5.1964 -4.9266 -4.9266 -4.9266 -4.9266 -1.9092 -1.9092 -1.9092 -1.9092 0.2954 0.2954 0.2954 0.2954 2.3552 2.3552 2.3552 2.3552 4.9033 4.9033 4.9033 4.9033 5.4313 5.4313 5.4313 5.4313 5.4528 5.4528 5.4528 5.4528 6.5932 6.5932 6.5932 6.5932 7.3607 7.3607 7.3607 7.3607 7.9900 7.9900 7.9900 7.9900 8.5705 8.5705 8.5705 8.5705 9.5254 9.5254 k =-0.2586 0.1006 0.2891 ( 7768 PWs) bands (ev): -20.3159 -20.3159 -20.3159 -20.3159 -7.0238 -7.0238 -7.0238 -7.0238 -5.2022 -5.2022 -5.2022 -5.2022 -4.9278 -4.9278 -4.9278 -4.9278 -1.8800 -1.8800 -1.8800 -1.8800 0.2894 0.2894 0.2894 0.2894 2.2918 2.2918 2.2918 2.2918 4.8869 4.8869 4.8869 4.8869 5.4390 5.4390 5.4390 5.4390 5.5342 5.5342 5.5342 5.5342 6.6343 6.6343 6.6343 6.6343 7.3795 7.3795 7.3795 7.3795 7.9491 7.9491 7.9491 7.9491 8.6333 8.6333 8.6333 8.6333 9.5158 9.5158 k =-0.2759 0.1074 0.2891 ( 7746 PWs) bands (ev): -20.3158 -20.3158 -20.3158 -20.3158 -7.0257 -7.0257 -7.0257 -7.0257 -5.2081 -5.2081 -5.2081 -5.2081 -4.9289 -4.9289 -4.9289 -4.9289 -1.8507 -1.8507 -1.8507 -1.8507 0.2825 0.2825 0.2825 0.2825 2.2332 2.2332 2.2332 2.2332 4.8704 4.8704 4.8704 4.8704 5.4370 5.4370 5.4370 5.4370 5.6129 5.6129 5.6129 5.6129 6.6892 6.6892 6.6892 6.6892 7.3995 7.3995 7.3995 7.3995 7.9088 7.9088 7.9088 7.9088 8.6919 8.6919 8.6919 8.6919 9.5079 9.5079 k =-0.2931 0.1141 0.2891 ( 7736 PWs) bands (ev): -20.3157 -20.3157 -20.3157 -20.3157 -7.0275 -7.0275 -7.0275 -7.0275 -5.2139 -5.2139 -5.2139 -5.2139 -4.9298 -4.9298 -4.9298 -4.9298 -1.8216 -1.8216 -1.8216 -1.8216 0.2749 0.2749 0.2749 0.2749 2.1795 2.1795 2.1795 2.1795 4.8539 4.8539 4.8539 4.8539 5.4347 5.4347 5.4347 5.4347 5.6789 5.6789 5.6789 5.6789 6.7581 6.7581 6.7581 6.7581 7.4204 7.4204 7.4204 7.4204 7.8701 7.8701 7.8701 7.8701 8.7429 8.7429 8.7429 8.7429 9.5052 9.5052 k =-0.3103 0.1208 0.2891 ( 7742 PWs) bands (ev): -20.3156 -20.3156 -20.3156 -20.3156 -7.0293 -7.0293 -7.0293 -7.0293 -5.2195 -5.2195 -5.2195 -5.2195 -4.9306 -4.9306 -4.9306 -4.9306 -1.7930 -1.7930 -1.7930 -1.7930 0.2666 0.2666 0.2666 0.2666 2.1308 2.1308 2.1308 2.1308 4.8379 4.8379 4.8379 4.8379 5.4322 5.4322 5.4322 5.4322 5.7322 5.7322 5.7322 5.7322 6.8399 6.8399 6.8399 6.8399 7.4421 7.4421 7.4421 7.4421 7.8337 7.8337 7.8337 7.8337 8.7837 8.7837 8.7837 8.7837 9.5108 9.5108 k =-0.3276 0.1275 0.2891 ( 7752 PWs) bands (ev): -20.3156 -20.3156 -20.3156 -20.3156 -7.0310 -7.0310 -7.0310 -7.0310 -5.2249 -5.2249 -5.2249 -5.2249 -4.9312 -4.9312 -4.9312 -4.9312 -1.7653 -1.7653 -1.7653 -1.7653 0.2577 0.2577 0.2577 0.2577 2.0869 2.0869 2.0869 2.0869 4.8224 4.8224 4.8224 4.8224 5.4297 5.4297 5.4297 5.4297 5.7740 5.7740 5.7740 5.7740 6.9321 6.9321 6.9321 6.9321 7.4641 7.4641 7.4641 7.4641 7.8000 7.8000 7.8000 7.8000 8.8127 8.8127 8.8127 8.8127 9.5262 9.5262 k =-0.3448 0.1342 0.2891 ( 7748 PWs) bands (ev): -20.3155 -20.3155 -20.3155 -20.3155 -7.0327 -7.0327 -7.0327 -7.0327 -5.2299 -5.2299 -5.2299 -5.2299 -4.9318 -4.9318 -4.9318 -4.9318 -1.7388 -1.7388 -1.7388 -1.7388 0.2485 0.2485 0.2485 0.2485 2.0478 2.0478 2.0478 2.0478 4.8078 4.8078 4.8078 4.8078 5.4272 5.4272 5.4272 5.4272 5.8062 5.8062 5.8062 5.8062 7.0317 7.0317 7.0317 7.0317 7.4862 7.4862 7.4862 7.4862 7.7695 7.7695 7.7695 7.7695 8.8302 8.8302 8.8302 8.8302 9.5508 9.5508 k =-0.3621 0.1409 0.2891 ( 7764 PWs) bands (ev): -20.3154 -20.3154 -20.3154 -20.3154 -7.0342 -7.0342 -7.0342 -7.0342 -5.2346 -5.2346 -5.2346 -5.2346 -4.9322 -4.9322 -4.9322 -4.9322 -1.7138 -1.7138 -1.7138 -1.7138 0.2392 0.2392 0.2392 0.2392 2.0133 2.0133 2.0133 2.0133 4.7941 4.7941 4.7941 4.7941 5.4249 5.4249 5.4249 5.4249 5.8307 5.8307 5.8307 5.8307 7.1350 7.1350 7.1350 7.1350 7.5078 7.5078 7.5078 7.5078 7.7425 7.7425 7.7425 7.7425 8.8383 8.8383 8.8383 8.8383 9.5816 9.5816 k =-0.3793 0.1476 0.2891 ( 7772 PWs) bands (ev): -20.3154 -20.3154 -20.3154 -20.3154 -7.0356 -7.0356 -7.0356 -7.0356 -5.2389 -5.2389 -5.2389 -5.2389 -4.9326 -4.9326 -4.9326 -4.9326 -1.6908 -1.6908 -1.6908 -1.6908 0.2301 0.2301 0.2301 0.2301 1.9834 1.9834 1.9834 1.9834 4.7816 4.7816 4.7816 4.7816 5.4227 5.4227 5.4227 5.4227 5.8491 5.8491 5.8491 5.8491 7.2382 7.2382 7.2382 7.2382 7.5285 7.5285 7.5285 7.5285 7.7197 7.7197 7.7197 7.7197 8.8402 8.8402 8.8402 8.8402 9.6137 9.6137 k =-0.3966 0.1543 0.2891 ( 7766 PWs) bands (ev): -20.3153 -20.3153 -20.3153 -20.3153 -7.0368 -7.0368 -7.0368 -7.0368 -5.2426 -5.2426 -5.2426 -5.2426 -4.9329 -4.9329 -4.9329 -4.9329 -1.6700 -1.6700 -1.6700 -1.6700 0.2213 0.2213 0.2213 0.2213 1.9580 1.9580 1.9580 1.9580 4.7705 4.7705 4.7705 4.7705 5.4207 5.4207 5.4207 5.4207 5.8629 5.8629 5.8629 5.8629 7.3366 7.3366 7.3366 7.3366 7.5479 7.5479 7.5479 7.5479 7.7018 7.7018 7.7018 7.7018 8.8392 8.8392 8.8392 8.8392 9.6416 9.6416 k =-0.4138 0.1610 0.2891 ( 7768 PWs) bands (ev): -20.3153 -20.3153 -20.3153 -20.3153 -7.0379 -7.0379 -7.0379 -7.0379 -5.2459 -5.2459 -5.2459 -5.2459 -4.9331 -4.9331 -4.9331 -4.9331 -1.6518 -1.6518 -1.6518 -1.6518 0.2133 0.2133 0.2133 0.2133 1.9368 1.9368 1.9368 1.9368 4.7608 4.7608 4.7608 4.7608 5.4189 5.4189 5.4189 5.4189 5.8731 5.8731 5.8731 5.8731 7.4250 7.4250 7.4250 7.4250 7.5658 7.5658 7.5658 7.5658 7.6904 7.6904 7.6904 7.6904 8.8381 8.8381 8.8381 8.8381 9.6602 9.6602 k =-0.4310 0.1677 0.2891 ( 7762 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0388 -7.0388 -7.0388 -7.0388 -5.2487 -5.2487 -5.2487 -5.2487 -4.9333 -4.9333 -4.9333 -4.9333 -1.6364 -1.6364 -1.6364 -1.6364 0.2062 0.2062 0.2062 0.2062 1.9197 1.9197 1.9197 1.9197 4.7527 4.7527 4.7527 4.7527 5.4174 5.4174 5.4174 5.4174 5.8807 5.8807 5.8807 5.8807 7.4959 7.4959 7.4959 7.4959 7.5818 7.5818 7.5818 7.5818 7.6888 7.6888 7.6888 7.6888 8.8388 8.8388 8.8388 8.8388 9.6665 9.6665 k =-0.4483 0.1745 0.2891 ( 7766 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0395 -7.0395 -7.0395 -7.0395 -5.2508 -5.2508 -5.2508 -5.2508 -4.9334 -4.9334 -4.9334 -4.9334 -1.6242 -1.6242 -1.6242 -1.6242 0.2004 0.2004 0.2004 0.2004 1.9065 1.9065 1.9065 1.9065 4.7463 4.7463 4.7463 4.7463 5.4162 5.4162 5.4162 5.4162 5.8860 5.8860 5.8860 5.8860 7.5412 7.5412 7.5412 7.5412 7.5960 7.5960 7.5960 7.5960 7.7011 7.7011 7.7011 7.7011 8.8418 8.8418 8.8418 8.8418 9.6614 9.6614 k =-0.4655 0.1812 0.2891 ( 7782 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0400 -7.0400 -7.0400 -7.0400 -5.2524 -5.2524 -5.2524 -5.2524 -4.9335 -4.9335 -4.9335 -4.9335 -1.6153 -1.6153 -1.6153 -1.6153 0.1961 0.1961 0.1961 0.1961 1.8972 1.8972 1.8972 1.8972 4.7417 4.7417 4.7417 4.7417 5.4154 5.4154 5.4154 5.4154 5.8896 5.8896 5.8896 5.8896 7.5622 7.5622 7.5622 7.5622 7.6066 7.6066 7.6066 7.6066 7.7239 7.7239 7.7239 7.7239 8.8464 8.8464 8.8464 8.8464 9.6498 9.6498 k =-0.4828 0.1879 0.2891 ( 7788 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0403 -7.0403 -7.0403 -7.0403 -5.2533 -5.2533 -5.2533 -5.2533 -4.9335 -4.9335 -4.9335 -4.9335 -1.6099 -1.6099 -1.6099 -1.6099 0.1934 0.1934 0.1934 0.1934 1.8917 1.8917 1.8917 1.8917 4.7389 4.7389 4.7389 4.7389 5.4148 5.4148 5.4148 5.4148 5.8916 5.8916 5.8916 5.8916 7.5698 7.5698 7.5698 7.5698 7.6125 7.6125 7.6125 7.6125 7.7443 7.7443 7.7443 7.7443 8.8506 8.8506 8.8506 8.8506 9.6387 9.6387 k =-0.5000 0.1946 0.2891 ( 7788 PWs) bands (ev): -20.3152 -20.3152 -20.3152 -20.3152 -7.0404 -7.0404 -7.0404 -7.0404 -5.2536 -5.2536 -5.2536 -5.2536 -4.9335 -4.9335 -4.9335 -4.9335 -1.6081 -1.6081 -1.6081 -1.6081 0.1925 0.1925 0.1925 0.1925 1.8899 1.8899 1.8899 1.8899 4.7380 4.7380 4.7380 4.7380 5.4147 5.4147 5.4147 5.4147 5.8923 5.8923 5.8923 5.8923 7.5717 7.5717 7.5717 7.5717 7.6144 7.6144 7.6144 7.6144 7.7521 7.7521 7.7521 7.7521 8.8523 8.8523 8.8523 8.8523 9.6342 9.6342 Writing output data file BaxAlSix2.save init_run : 0.40s CPU 0.53s WALL ( 1 calls) electrons : 495.03s CPU 500.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 495.02s CPU 499.99s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.21s WALL ( 316 calls) cegterg : 460.46s CPU 464.43s WALL ( 973 calls) Called by sum_band: Called by *egterg: h_psi : 272.15s CPU 274.33s WALL ( 18190 calls) s_psi : 31.68s CPU 31.80s WALL ( 18190 calls) g_psi : 0.73s CPU 0.72s WALL ( 16901 calls) cdiaghg : 127.46s CPU 128.77s WALL ( 17217 calls) cegterg:over : 18.72s CPU 18.80s WALL ( 16901 calls) cegterg:upda : 19.33s CPU 19.92s WALL ( 16901 calls) cegterg:last : 7.90s CPU 7.84s WALL ( 1921 calls) cdiaghg:chol : 7.64s CPU 7.52s WALL ( 17217 calls) cdiaghg:inve : 4.96s CPU 4.97s WALL ( 17217 calls) cdiaghg:para : 7.38s CPU 7.68s WALL ( 34434 calls) Called by h_psi: h_psi:vloc : 206.84s CPU 208.52s WALL ( 18190 calls) h_psi:vnl : 64.61s CPU 65.04s WALL ( 18190 calls) add_vuspsi : 36.55s CPU 36.61s WALL ( 18190 calls) General routines calbec : 27.98s CPU 28.38s WALL ( 18190 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 194.56s CPU 196.01s WALL ( 1316536 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.49s WALL ( 632 calls) Parallel routines fft_scatter : 58.05s CPU 58.79s WALL ( 1316559 calls) PWSCF : 8m40.30s CPU 9m 1.67s WALL This run was terminated on: 19:24:33 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=