Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:26:20 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./HgSBr.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 21 6 3108 1028 156 Max 44 22 7 3117 1048 163 Sum 3149 1517 435 224191 74719 11509 bravais-lattice index = 14 lattice parameter (alat) = 8.0691 a.u. unit-cell volume = 1564.9912 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069130 celldm(2)= 1.459016 celldm(3)= 2.042155 celldm(4)= 0.023211 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.459016 0.000000 ) a(3) = ( 0.000000 0.047400 2.041604 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.685393 -0.015913 ) b(3) = ( 0.000000 0.000000 0.489811 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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. # 2 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) Br 7.00 79.90400 Br( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 248 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0000000 0.0000000 0.0128898), wk = 0.0040323 k( 3) = ( 0.0000000 0.0000000 0.0257795), wk = 0.0040323 k( 4) = ( 0.0000000 0.0000000 0.0386693), wk = 0.0040323 k( 5) = ( 0.0000000 0.0000000 0.0515590), wk = 0.0040323 k( 6) = ( 0.0000000 0.0000000 0.0644488), wk = 0.0040323 k( 7) = ( 0.0000000 0.0000000 0.0773386), wk = 0.0040323 k( 8) = ( 0.0000000 0.0000000 0.0902283), wk = 0.0040323 k( 9) = ( 0.0000000 0.0000000 0.1031181), wk = 0.0040323 k( 10) = ( 0.0000000 0.0000000 0.1160078), wk = 0.0040323 k( 11) = ( 0.0000000 0.0000000 0.1288976), wk = 0.0040323 k( 12) = ( 0.0000000 0.0000000 0.1417874), wk = 0.0040323 k( 13) = ( 0.0000000 0.0000000 0.1546771), wk = 0.0040323 k( 14) = ( 0.0000000 0.0000000 0.1675669), wk = 0.0040323 k( 15) = ( 0.0000000 0.0000000 0.1804566), wk = 0.0040323 k( 16) = ( 0.0000000 0.0000000 0.1933464), wk = 0.0040323 k( 17) = ( 0.0000000 0.0000000 0.2062361), wk = 0.0040323 k( 18) = ( 0.0000000 0.0000000 0.2191259), wk = 0.0040323 k( 19) = ( 0.0000000 0.0000000 0.2320157), wk = 0.0040323 k( 20) = ( 0.0000000 0.0000000 0.2449054), wk = 0.0040323 k( 21) = ( 0.0000000 0.0000000 0.2449054), wk = 0.0040323 k( 22) = ( 0.0000000 0.0134878 0.2449054), wk = 0.0040323 k( 23) = ( 0.0000000 0.0269756 0.2449054), wk = 0.0040323 k( 24) = ( 0.0000000 0.0404634 0.2449054), wk = 0.0040323 k( 25) = ( 0.0000000 0.0539513 0.2449054), wk = 0.0040323 k( 26) = ( 0.0000000 0.0674391 0.2449054), wk = 0.0040323 k( 27) = ( 0.0000000 0.0809269 0.2449054), wk = 0.0040323 k( 28) = ( 0.0000000 0.0944147 0.2449054), wk = 0.0040323 k( 29) = ( 0.0000000 0.1079025 0.2449054), wk = 0.0040323 k( 30) = ( 0.0000000 0.1213903 0.2449054), wk = 0.0040323 k( 31) = ( 0.0000000 0.1348781 0.2449054), wk = 0.0040323 k( 32) = ( 0.0000000 0.1483660 0.2449054), wk = 0.0040323 k( 33) = ( 0.0000000 0.1618538 0.2449054), wk = 0.0040323 k( 34) = ( 0.0000000 0.1753416 0.2449054), wk = 0.0040323 k( 35) = ( 0.0000000 0.1888294 0.2449054), wk = 0.0040323 k( 36) = ( 0.0000000 0.2023172 0.2449054), wk = 0.0040323 k( 37) = ( 0.0000000 0.2158050 0.2449054), wk = 0.0040323 k( 38) = ( 0.0000000 0.2292929 0.2449054), wk = 0.0040323 k( 39) = ( 0.0000000 0.2427807 0.2449054), wk = 0.0040323 k( 40) = ( 0.0000000 0.2562685 0.2449054), wk = 0.0040323 k( 41) = ( 0.0000000 0.2697563 0.2449054), wk = 0.0040323 k( 42) = ( 0.0000000 0.2832441 0.2449054), wk = 0.0040323 k( 43) = ( 0.0000000 0.2967319 0.2449054), wk = 0.0040323 k( 44) = ( 0.0000000 0.3102197 0.2449054), wk = 0.0040323 k( 45) = ( 0.0000000 0.3237076 0.2449054), wk = 0.0040323 k( 46) = ( 0.0000000 0.3371954 0.2449054), wk = 0.0040323 k( 47) = ( 0.0000000 0.3371954 0.2449054), wk = 0.0040323 k( 48) = ( 0.0000000 0.3426966 0.2369490), wk = 0.0040323 k( 49) = ( 0.0000000 0.3426966 0.2369490), wk = 0.0040323 k( 50) = ( 0.0135135 0.3426966 0.2369490), wk = 0.0040323 k( 51) = ( 0.0270270 0.3426966 0.2369490), wk = 0.0040323 k( 52) = ( 0.0405405 0.3426966 0.2369490), wk = 0.0040323 k( 53) = ( 0.0540540 0.3426966 0.2369490), wk = 0.0040323 k( 54) = ( 0.0675676 0.3426966 0.2369490), wk = 0.0040323 k( 55) = ( 0.0810811 0.3426966 0.2369490), wk = 0.0040323 k( 56) = ( 0.0945946 0.3426966 0.2369490), wk = 0.0040323 k( 57) = ( 0.1081081 0.3426966 0.2369490), wk = 0.0040323 k( 58) = ( 0.1216216 0.3426966 0.2369490), wk = 0.0040323 k( 59) = ( 0.1351351 0.3426966 0.2369490), wk = 0.0040323 k( 60) = ( 0.1486486 0.3426966 0.2369490), wk = 0.0040323 k( 61) = ( 0.1621622 0.3426966 0.2369490), wk = 0.0040323 k( 62) = ( 0.1756757 0.3426966 0.2369490), wk = 0.0040323 k( 63) = ( 0.1891892 0.3426966 0.2369490), wk = 0.0040323 k( 64) = ( 0.2027027 0.3426966 0.2369490), wk = 0.0040323 k( 65) = ( 0.2162162 0.3426966 0.2369490), wk = 0.0040323 k( 66) = ( 0.2297297 0.3426966 0.2369490), wk = 0.0040323 k( 67) = ( 0.2432432 0.3426966 0.2369490), wk = 0.0040323 k( 68) = ( 0.2567568 0.3426966 0.2369490), wk = 0.0040323 k( 69) = ( 0.2702703 0.3426966 0.2369490), wk = 0.0040323 k( 70) = ( 0.2837838 0.3426966 0.2369490), wk = 0.0040323 k( 71) = ( 0.2972973 0.3426966 0.2369490), wk = 0.0040323 k( 72) = ( 0.3108108 0.3426966 0.2369490), wk = 0.0040323 k( 73) = ( 0.3243243 0.3426966 0.2369490), wk = 0.0040323 k( 74) = ( 0.3378378 0.3426966 0.2369490), wk = 0.0040323 k( 75) = ( 0.3513514 0.3426966 0.2369490), wk = 0.0040323 k( 76) = ( 0.3648649 0.3426966 0.2369490), wk = 0.0040323 k( 77) = ( 0.3783784 0.3426966 0.2369490), wk = 0.0040323 k( 78) = ( 0.3918919 0.3426966 0.2369490), wk = 0.0040323 k( 79) = ( 0.4054054 0.3426966 0.2369490), wk = 0.0040323 k( 80) = ( 0.4189189 0.3426966 0.2369490), wk = 0.0040323 k( 81) = ( 0.4324324 0.3426966 0.2369490), wk = 0.0040323 k( 82) = ( 0.4459459 0.3426966 0.2369490), wk = 0.0040323 k( 83) = ( 0.4594595 0.3426966 0.2369490), wk = 0.0040323 k( 84) = ( 0.4729730 0.3426966 0.2369490), wk = 0.0040323 k( 85) = ( 0.4864865 0.3426966 0.2369490), wk = 0.0040323 k( 86) = ( 0.5000000 0.3426966 0.2369490), wk = 0.0040323 k( 87) = ( 0.5000000 0.3426966 0.2369490), wk = 0.0040323 k( 88) = ( 0.5000000 0.3481979 0.2289926), wk = 0.0040323 k( 89) = ( 0.5000000 0.3481979 0.2289926), wk = 0.0040323 k( 90) = ( 0.5000000 0.3478923 0.2158288), wk = 0.0040323 k( 91) = ( 0.5000000 0.3475866 0.2026650), wk = 0.0040323 k( 92) = ( 0.5000000 0.3472810 0.1895011), wk = 0.0040323 k( 93) = ( 0.5000000 0.3469754 0.1763373), wk = 0.0040323 k( 94) = ( 0.5000000 0.3466698 0.1631734), wk = 0.0040323 k( 95) = ( 0.5000000 0.3463641 0.1500096), wk = 0.0040323 k( 96) = ( 0.5000000 0.3460585 0.1368458), wk = 0.0040323 k( 97) = ( 0.5000000 0.3457529 0.1236819), wk = 0.0040323 k( 98) = ( 0.5000000 0.3454473 0.1105181), wk = 0.0040323 k( 99) = ( 0.5000000 0.3451416 0.0973543), wk = 0.0040323 k( 100) = ( 0.5000000 0.3448360 0.0841904), wk = 0.0040323 k( 101) = ( 0.5000000 0.3445304 0.0710266), wk = 0.0040323 k( 102) = ( 0.5000000 0.3442248 0.0578628), wk = 0.0040323 k( 103) = ( 0.5000000 0.3439191 0.0446989), wk = 0.0040323 k( 104) = ( 0.5000000 0.3436135 0.0315351), wk = 0.0040323 k( 105) = ( 0.5000000 0.3433079 0.0183713), wk = 0.0040323 k( 106) = ( 0.5000000 0.3430023 0.0052074), wk = 0.0040323 k( 107) = ( 0.5000000 0.3426966 -0.0079564), wk = 0.0040323 k( 108) = ( 0.5000000 0.3426966 -0.0079564), wk = 0.0040323 k( 109) = ( 0.4864865 0.3426966 -0.0079564), wk = 0.0040323 k( 110) = ( 0.4729730 0.3426966 -0.0079564), wk = 0.0040323 k( 111) = ( 0.4594595 0.3426966 -0.0079564), wk = 0.0040323 k( 112) = ( 0.4459459 0.3426966 -0.0079564), wk = 0.0040323 k( 113) = ( 0.4324324 0.3426966 -0.0079564), wk = 0.0040323 k( 114) = ( 0.4189189 0.3426966 -0.0079564), wk = 0.0040323 k( 115) = ( 0.4054054 0.3426966 -0.0079564), wk = 0.0040323 k( 116) = ( 0.3918919 0.3426966 -0.0079564), wk = 0.0040323 k( 117) = ( 0.3783784 0.3426966 -0.0079564), wk = 0.0040323 k( 118) = ( 0.3648649 0.3426966 -0.0079564), wk = 0.0040323 k( 119) = ( 0.3513514 0.3426966 -0.0079564), wk = 0.0040323 k( 120) = ( 0.3378378 0.3426966 -0.0079564), wk = 0.0040323 k( 121) = ( 0.3243243 0.3426966 -0.0079564), wk = 0.0040323 k( 122) = ( 0.3108108 0.3426966 -0.0079564), wk = 0.0040323 k( 123) = ( 0.2972973 0.3426966 -0.0079564), wk = 0.0040323 k( 124) = ( 0.2837838 0.3426966 -0.0079564), wk = 0.0040323 k( 125) = ( 0.2702703 0.3426966 -0.0079564), wk = 0.0040323 k( 126) = ( 0.2567568 0.3426966 -0.0079564), wk = 0.0040323 k( 127) = ( 0.2432432 0.3426966 -0.0079564), wk = 0.0040323 k( 128) = ( 0.2297297 0.3426966 -0.0079564), wk = 0.0040323 k( 129) = ( 0.2162162 0.3426966 -0.0079564), wk = 0.0040323 k( 130) = ( 0.2027027 0.3426966 -0.0079564), wk = 0.0040323 k( 131) = ( 0.1891892 0.3426966 -0.0079564), wk = 0.0040323 k( 132) = ( 0.1756757 0.3426966 -0.0079564), wk = 0.0040323 k( 133) = ( 0.1621622 0.3426966 -0.0079564), wk = 0.0040323 k( 134) = ( 0.1486486 0.3426966 -0.0079564), wk = 0.0040323 k( 135) = ( 0.1351351 0.3426966 -0.0079564), wk = 0.0040323 k( 136) = ( 0.1216216 0.3426966 -0.0079564), wk = 0.0040323 k( 137) = ( 0.1081081 0.3426966 -0.0079564), wk = 0.0040323 k( 138) = ( 0.0945946 0.3426966 -0.0079564), wk = 0.0040323 k( 139) = ( 0.0810811 0.3426966 -0.0079564), wk = 0.0040323 k( 140) = ( 0.0675676 0.3426966 -0.0079564), wk = 0.0040323 k( 141) = ( 0.0540540 0.3426966 -0.0079564), wk = 0.0040323 k( 142) = ( 0.0405405 0.3426966 -0.0079564), wk = 0.0040323 k( 143) = ( 0.0270270 0.3426966 -0.0079564), wk = 0.0040323 k( 144) = ( 0.0135135 0.3426966 -0.0079564), wk = 0.0040323 k( 145) = ( 0.0000000 0.3426966 -0.0079564), wk = 0.0040323 k( 146) = ( 0.0000000 0.3426966 -0.0079564), wk = 0.0040323 k( 147) = ( 0.0000000 0.3430023 0.0052074), wk = 0.0040323 k( 148) = ( 0.0000000 0.3433079 0.0183713), wk = 0.0040323 k( 149) = ( 0.0000000 0.3436135 0.0315351), wk = 0.0040323 k( 150) = ( 0.0000000 0.3439191 0.0446989), wk = 0.0040323 k( 151) = ( 0.0000000 0.3442248 0.0578628), wk = 0.0040323 k( 152) = ( 0.0000000 0.3445304 0.0710266), wk = 0.0040323 k( 153) = ( 0.0000000 0.3448360 0.0841904), wk = 0.0040323 k( 154) = ( 0.0000000 0.3451416 0.0973543), wk = 0.0040323 k( 155) = ( 0.0000000 0.3454473 0.1105181), wk = 0.0040323 k( 156) = ( 0.0000000 0.3457529 0.1236819), wk = 0.0040323 k( 157) = ( 0.0000000 0.3460585 0.1368458), wk = 0.0040323 k( 158) = ( 0.0000000 0.3463641 0.1500096), wk = 0.0040323 k( 159) = ( 0.0000000 0.3466698 0.1631734), wk = 0.0040323 k( 160) = ( 0.0000000 0.3469754 0.1763373), wk = 0.0040323 k( 161) = ( 0.0000000 0.3472810 0.1895011), wk = 0.0040323 k( 162) = ( 0.0000000 0.3475866 0.2026650), wk = 0.0040323 k( 163) = ( 0.0000000 0.3478923 0.2158288), wk = 0.0040323 k( 164) = ( 0.0000000 0.3481979 0.2289926), wk = 0.0040323 k( 165) = ( 0.5000000 0.3371954 0.2449054), wk = 0.0040323 k( 166) = ( 0.5000000 0.3237076 0.2449054), wk = 0.0040323 k( 167) = ( 0.5000000 0.3102197 0.2449054), wk = 0.0040323 k( 168) = ( 0.5000000 0.2967319 0.2449054), wk = 0.0040323 k( 169) = ( 0.5000000 0.2832441 0.2449054), wk = 0.0040323 k( 170) = ( 0.5000000 0.2697563 0.2449054), wk = 0.0040323 k( 171) = ( 0.5000000 0.2562685 0.2449054), wk = 0.0040323 k( 172) = ( 0.5000000 0.2427807 0.2449054), wk = 0.0040323 k( 173) = ( 0.5000000 0.2292929 0.2449054), wk = 0.0040323 k( 174) = ( 0.5000000 0.2158050 0.2449054), wk = 0.0040323 k( 175) = ( 0.5000000 0.2023172 0.2449054), wk = 0.0040323 k( 176) = ( 0.5000000 0.1888294 0.2449054), wk = 0.0040323 k( 177) = ( 0.5000000 0.1753416 0.2449054), wk = 0.0040323 k( 178) = ( 0.5000000 0.1618538 0.2449054), wk = 0.0040323 k( 179) = ( 0.5000000 0.1483660 0.2449054), wk = 0.0040323 k( 180) = ( 0.5000000 0.1348781 0.2449054), wk = 0.0040323 k( 181) = ( 0.5000000 0.1213903 0.2449054), wk = 0.0040323 k( 182) = ( 0.5000000 0.1079025 0.2449054), wk = 0.0040323 k( 183) = ( 0.5000000 0.0944147 0.2449054), wk = 0.0040323 k( 184) = ( 0.5000000 0.0809269 0.2449054), wk = 0.0040323 k( 185) = ( 0.5000000 0.0674391 0.2449054), wk = 0.0040323 k( 186) = ( 0.5000000 0.0539513 0.2449054), wk = 0.0040323 k( 187) = ( 0.5000000 0.0404634 0.2449054), wk = 0.0040323 k( 188) = ( 0.5000000 0.0269756 0.2449054), wk = 0.0040323 k( 189) = ( 0.5000000 0.0134878 0.2449054), wk = 0.0040323 k( 190) = ( 0.5000000 -0.0000000 0.2449054), wk = 0.0040323 k( 191) = ( 0.5000000 -0.0000000 0.2449054), wk = 0.0040323 k( 192) = ( 0.5000000 -0.0000000 0.2320157), wk = 0.0040323 k( 193) = ( 0.5000000 -0.0000000 0.2191259), wk = 0.0040323 k( 194) = ( 0.5000000 -0.0000000 0.2062361), wk = 0.0040323 k( 195) = ( 0.5000000 -0.0000000 0.1933464), wk = 0.0040323 k( 196) = ( 0.5000000 -0.0000000 0.1804566), wk = 0.0040323 k( 197) = ( 0.5000000 -0.0000000 0.1675669), wk = 0.0040323 k( 198) = ( 0.5000000 -0.0000000 0.1546771), wk = 0.0040323 k( 199) = ( 0.5000000 -0.0000000 0.1417874), wk = 0.0040323 k( 200) = ( 0.5000000 -0.0000000 0.1288976), wk = 0.0040323 k( 201) = ( 0.5000000 -0.0000000 0.1160078), wk = 0.0040323 k( 202) = ( 0.5000000 -0.0000000 0.1031181), wk = 0.0040323 k( 203) = ( 0.5000000 -0.0000000 0.0902283), wk = 0.0040323 k( 204) = ( 0.5000000 -0.0000000 0.0773386), wk = 0.0040323 k( 205) = ( 0.5000000 -0.0000000 0.0644488), wk = 0.0040323 k( 206) = ( 0.5000000 -0.0000000 0.0515590), wk = 0.0040323 k( 207) = ( 0.5000000 -0.0000000 0.0386693), wk = 0.0040323 k( 208) = ( 0.5000000 -0.0000000 0.0257795), wk = 0.0040323 k( 209) = ( 0.5000000 -0.0000000 0.0128898), wk = 0.0040323 k( 210) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0040323 k( 211) = ( 0.0000000 0.0000000 0.2449054), wk = 0.0040323 k( 212) = ( 0.0135135 -0.0000000 0.2449054), wk = 0.0040323 k( 213) = ( 0.0270270 -0.0000000 0.2449054), wk = 0.0040323 k( 214) = ( 0.0405405 -0.0000000 0.2449054), wk = 0.0040323 k( 215) = ( 0.0540540 -0.0000000 0.2449054), wk = 0.0040323 k( 216) = ( 0.0675676 -0.0000000 0.2449054), wk = 0.0040323 k( 217) = ( 0.0810811 -0.0000000 0.2449054), wk = 0.0040323 k( 218) = ( 0.0945946 -0.0000000 0.2449054), wk = 0.0040323 k( 219) = ( 0.1081081 -0.0000000 0.2449054), wk = 0.0040323 k( 220) = ( 0.1216216 -0.0000000 0.2449054), wk = 0.0040323 k( 221) = ( 0.1351351 -0.0000000 0.2449054), wk = 0.0040323 k( 222) = ( 0.1486486 -0.0000000 0.2449054), wk = 0.0040323 k( 223) = ( 0.1621622 -0.0000000 0.2449054), wk = 0.0040323 k( 224) = ( 0.1756757 -0.0000000 0.2449054), wk = 0.0040323 k( 225) = ( 0.1891892 -0.0000000 0.2449054), wk = 0.0040323 k( 226) = ( 0.2027027 -0.0000000 0.2449054), wk = 0.0040323 k( 227) = ( 0.2162162 -0.0000000 0.2449054), wk = 0.0040323 k( 228) = ( 0.2297297 -0.0000000 0.2449054), wk = 0.0040323 k( 229) = ( 0.2432432 -0.0000000 0.2449054), wk = 0.0040323 k( 230) = ( 0.2567568 -0.0000000 0.2449054), wk = 0.0040323 k( 231) = ( 0.2702703 -0.0000000 0.2449054), wk = 0.0040323 k( 232) = ( 0.2837838 -0.0000000 0.2449054), wk = 0.0040323 k( 233) = ( 0.2972973 -0.0000000 0.2449054), wk = 0.0040323 k( 234) = ( 0.3108108 -0.0000000 0.2449054), wk = 0.0040323 k( 235) = ( 0.3243243 -0.0000000 0.2449054), wk = 0.0040323 k( 236) = ( 0.3378378 -0.0000000 0.2449054), wk = 0.0040323 k( 237) = ( 0.3513514 -0.0000000 0.2449054), wk = 0.0040323 k( 238) = ( 0.3648649 -0.0000000 0.2449054), wk = 0.0040323 k( 239) = ( 0.3783784 -0.0000000 0.2449054), wk = 0.0040323 k( 240) = ( 0.3918919 -0.0000000 0.2449054), wk = 0.0040323 k( 241) = ( 0.4054054 -0.0000000 0.2449054), wk = 0.0040323 k( 242) = ( 0.4189189 -0.0000000 0.2449054), wk = 0.0040323 k( 243) = ( 0.4324324 -0.0000000 0.2449054), wk = 0.0040323 k( 244) = ( 0.4459459 -0.0000000 0.2449054), wk = 0.0040323 k( 245) = ( 0.4594595 -0.0000000 0.2449054), wk = 0.0040323 k( 246) = ( 0.4729730 -0.0000000 0.2449054), wk = 0.0040323 k( 247) = ( 0.4864865 -0.0000000 0.2449054), wk = 0.0040323 k( 248) = ( 0.5000000 -0.0000000 0.2449054), wk = 0.0040323 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040323 k( 2) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0040323 k( 3) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0040323 k( 4) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0040323 k( 5) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0040323 k( 6) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0040323 k( 7) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0040323 k( 8) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0040323 k( 9) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0040323 k( 10) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0040323 k( 11) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0040323 k( 12) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0040323 k( 13) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0040323 k( 14) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0040323 k( 15) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0040323 k( 16) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0040323 k( 17) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0040323 k( 18) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0040323 k( 19) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0040323 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 22) = ( 0.0000000 0.0196789 0.5006393), wk = 0.0040323 k( 23) = ( 0.0000000 0.0393579 0.5012787), wk = 0.0040323 k( 24) = ( 0.0000000 0.0590368 0.5019180), wk = 0.0040323 k( 25) = ( 0.0000000 0.0787158 0.5025573), wk = 0.0040323 k( 26) = ( 0.0000000 0.0983947 0.5031966), wk = 0.0040323 k( 27) = ( 0.0000000 0.1180737 0.5038359), wk = 0.0040323 k( 28) = ( 0.0000000 0.1377526 0.5044753), wk = 0.0040323 k( 29) = ( 0.0000000 0.1574315 0.5051146), wk = 0.0040323 k( 30) = ( 0.0000000 0.1771105 0.5057539), wk = 0.0040323 k( 31) = ( 0.0000000 0.1967894 0.5063932), wk = 0.0040323 k( 32) = ( 0.0000000 0.2164684 0.5070326), wk = 0.0040323 k( 33) = ( 0.0000000 0.2361473 0.5076719), wk = 0.0040323 k( 34) = ( 0.0000000 0.2558263 0.5083112), wk = 0.0040323 k( 35) = ( 0.0000000 0.2755052 0.5089505), wk = 0.0040323 k( 36) = ( 0.0000000 0.2951841 0.5095898), wk = 0.0040323 k( 37) = ( 0.0000000 0.3148631 0.5102292), wk = 0.0040323 k( 38) = ( 0.0000000 0.3345420 0.5108685), wk = 0.0040323 k( 39) = ( 0.0000000 0.3542210 0.5115078), wk = 0.0040323 k( 40) = ( 0.0000000 0.3738999 0.5121471), wk = 0.0040323 k( 41) = ( 0.0000000 0.3935789 0.5127865), wk = 0.0040323 k( 42) = ( 0.0000000 0.4132578 0.5134258), wk = 0.0040323 k( 43) = ( 0.0000000 0.4329368 0.5140651), wk = 0.0040323 k( 44) = ( 0.0000000 0.4526157 0.5147044), wk = 0.0040323 k( 45) = ( 0.0000000 0.4722946 0.5153437), wk = 0.0040323 k( 46) = ( 0.0000000 0.4919736 0.5159831), wk = 0.0040323 k( 47) = ( 0.0000000 0.4919736 0.5159831), wk = 0.0040323 k( 48) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040323 k( 49) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040323 k( 50) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0040323 k( 51) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0040323 k( 52) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0040323 k( 53) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0040323 k( 54) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0040323 k( 55) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0040323 k( 56) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0040323 k( 57) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0040323 k( 58) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0040323 k( 59) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0040323 k( 60) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0040323 k( 61) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0040323 k( 62) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0040323 k( 63) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0040323 k( 64) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0040323 k( 65) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0040323 k( 66) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0040323 k( 67) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0040323 k( 68) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0040323 k( 69) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0040323 k( 70) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0040323 k( 71) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0040323 k( 72) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0040323 k( 73) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0040323 k( 74) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0040323 k( 75) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0040323 k( 76) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0040323 k( 77) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0040323 k( 78) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0040323 k( 79) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0040323 k( 80) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0040323 k( 81) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0040323 k( 82) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0040323 k( 83) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0040323 k( 84) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0040323 k( 85) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0040323 k( 86) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 87) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040323 k( 88) = ( 0.5000000 0.5080264 0.4840169), wk = 0.0040323 k( 89) = ( 0.5000000 0.5080264 0.4840169), wk = 0.0040323 k( 90) = ( 0.5000000 0.5075805 0.4571271), wk = 0.0040323 k( 91) = ( 0.5000000 0.5071346 0.4302373), wk = 0.0040323 k( 92) = ( 0.5000000 0.5066887 0.4033474), wk = 0.0040323 k( 93) = ( 0.5000000 0.5062428 0.3764576), wk = 0.0040323 k( 94) = ( 0.5000000 0.5057969 0.3495678), wk = 0.0040323 k( 95) = ( 0.5000000 0.5053509 0.3226779), wk = 0.0040323 k( 96) = ( 0.5000000 0.5049050 0.2957881), wk = 0.0040323 k( 97) = ( 0.5000000 0.5044591 0.2688983), wk = 0.0040323 k( 98) = ( 0.5000000 0.5040132 0.2420085), wk = 0.0040323 k( 99) = ( 0.5000000 0.5035673 0.2151186), wk = 0.0040323 k( 100) = ( 0.5000000 0.5031214 0.1882288), wk = 0.0040323 k( 101) = ( 0.5000000 0.5026755 0.1613390), wk = 0.0040323 k( 102) = ( 0.5000000 0.5022296 0.1344491), wk = 0.0040323 k( 103) = ( 0.5000000 0.5017837 0.1075593), wk = 0.0040323 k( 104) = ( 0.5000000 0.5013377 0.0806695), wk = 0.0040323 k( 105) = ( 0.5000000 0.5008918 0.0537797), wk = 0.0040323 k( 106) = ( 0.5000000 0.5004459 0.0268898), wk = 0.0040323 k( 107) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040323 k( 108) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040323 k( 109) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0040323 k( 110) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0040323 k( 111) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0040323 k( 112) = ( 0.4459459 0.5000000 0.0000000), wk = 0.0040323 k( 113) = ( 0.4324324 0.5000000 0.0000000), wk = 0.0040323 k( 114) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0040323 k( 115) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0040323 k( 116) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0040323 k( 117) = ( 0.3783784 0.5000000 0.0000000), wk = 0.0040323 k( 118) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0040323 k( 119) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0040323 k( 120) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0040323 k( 121) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0040323 k( 122) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0040323 k( 123) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0040323 k( 124) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0040323 k( 125) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0040323 k( 126) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0040323 k( 127) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0040323 k( 128) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0040323 k( 129) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0040323 k( 130) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0040323 k( 131) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0040323 k( 132) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0040323 k( 133) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0040323 k( 134) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0040323 k( 135) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0040323 k( 136) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0040323 k( 137) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0040323 k( 138) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0040323 k( 139) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0040323 k( 140) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0040323 k( 141) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0040323 k( 142) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0040323 k( 143) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0040323 k( 144) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0040323 k( 145) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040323 k( 146) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040323 k( 147) = ( 0.0000000 0.5004459 0.0268898), wk = 0.0040323 k( 148) = ( 0.0000000 0.5008918 0.0537797), wk = 0.0040323 k( 149) = ( 0.0000000 0.5013377 0.0806695), wk = 0.0040323 k( 150) = ( 0.0000000 0.5017837 0.1075593), wk = 0.0040323 k( 151) = ( 0.0000000 0.5022296 0.1344491), wk = 0.0040323 k( 152) = ( 0.0000000 0.5026755 0.1613390), wk = 0.0040323 k( 153) = ( 0.0000000 0.5031214 0.1882288), wk = 0.0040323 k( 154) = ( 0.0000000 0.5035673 0.2151186), wk = 0.0040323 k( 155) = ( 0.0000000 0.5040132 0.2420085), wk = 0.0040323 k( 156) = ( 0.0000000 0.5044591 0.2688983), wk = 0.0040323 k( 157) = ( 0.0000000 0.5049050 0.2957881), wk = 0.0040323 k( 158) = ( 0.0000000 0.5053509 0.3226779), wk = 0.0040323 k( 159) = ( 0.0000000 0.5057969 0.3495678), wk = 0.0040323 k( 160) = ( 0.0000000 0.5062428 0.3764576), wk = 0.0040323 k( 161) = ( 0.0000000 0.5066887 0.4033474), wk = 0.0040323 k( 162) = ( 0.0000000 0.5071346 0.4302373), wk = 0.0040323 k( 163) = ( 0.0000000 0.5075805 0.4571271), wk = 0.0040323 k( 164) = ( 0.0000000 0.5080264 0.4840169), wk = 0.0040323 k( 165) = ( 0.5000000 0.4919736 0.5159831), wk = 0.0040323 k( 166) = ( 0.5000000 0.4722946 0.5153437), wk = 0.0040323 k( 167) = ( 0.5000000 0.4526157 0.5147044), wk = 0.0040323 k( 168) = ( 0.5000000 0.4329367 0.5140651), wk = 0.0040323 k( 169) = ( 0.5000000 0.4132578 0.5134258), wk = 0.0040323 k( 170) = ( 0.5000000 0.3935789 0.5127865), wk = 0.0040323 k( 171) = ( 0.5000000 0.3738999 0.5121471), wk = 0.0040323 k( 172) = ( 0.5000000 0.3542210 0.5115078), wk = 0.0040323 k( 173) = ( 0.5000000 0.3345420 0.5108685), wk = 0.0040323 k( 174) = ( 0.5000000 0.3148631 0.5102292), wk = 0.0040323 k( 175) = ( 0.5000000 0.2951841 0.5095898), wk = 0.0040323 k( 176) = ( 0.5000000 0.2755052 0.5089505), wk = 0.0040323 k( 177) = ( 0.5000000 0.2558263 0.5083112), wk = 0.0040323 k( 178) = ( 0.5000000 0.2361473 0.5076719), wk = 0.0040323 k( 179) = ( 0.5000000 0.2164684 0.5070326), wk = 0.0040323 k( 180) = ( 0.5000000 0.1967894 0.5063932), wk = 0.0040323 k( 181) = ( 0.5000000 0.1771105 0.5057539), wk = 0.0040323 k( 182) = ( 0.5000000 0.1574315 0.5051146), wk = 0.0040323 k( 183) = ( 0.5000000 0.1377526 0.5044753), wk = 0.0040323 k( 184) = ( 0.5000000 0.1180737 0.5038359), wk = 0.0040323 k( 185) = ( 0.5000000 0.0983947 0.5031966), wk = 0.0040323 k( 186) = ( 0.5000000 0.0787158 0.5025573), wk = 0.0040323 k( 187) = ( 0.5000000 0.0590368 0.5019180), wk = 0.0040323 k( 188) = ( 0.5000000 0.0393579 0.5012787), wk = 0.0040323 k( 189) = ( 0.5000000 0.0196789 0.5006393), wk = 0.0040323 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 k( 192) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0040323 k( 193) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0040323 k( 194) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0040323 k( 195) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0040323 k( 196) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0040323 k( 197) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0040323 k( 198) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0040323 k( 199) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0040323 k( 200) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0040323 k( 201) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0040323 k( 202) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0040323 k( 203) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0040323 k( 204) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0040323 k( 205) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0040323 k( 206) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0040323 k( 207) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0040323 k( 208) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0040323 k( 209) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0040323 k( 210) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0040323 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040323 k( 212) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0040323 k( 213) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0040323 k( 214) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0040323 k( 215) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0040323 k( 216) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0040323 k( 217) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0040323 k( 218) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0040323 k( 219) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0040323 k( 220) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0040323 k( 221) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0040323 k( 222) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0040323 k( 223) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0040323 k( 224) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0040323 k( 225) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0040323 k( 226) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0040323 k( 227) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0040323 k( 228) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0040323 k( 229) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0040323 k( 230) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0040323 k( 231) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0040323 k( 232) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0040323 k( 233) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0040323 k( 234) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0040323 k( 235) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0040323 k( 236) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0040323 k( 237) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0040323 k( 238) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0040323 k( 239) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0040323 k( 240) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0040323 k( 241) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0040323 k( 242) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0040323 k( 243) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0040323 k( 244) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0040323 k( 245) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0040323 k( 246) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0040323 k( 247) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0040323 k( 248) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040323 Dense grid: 224191 G-vectors FFT dimensions: ( 54, 80, 108) Smooth grid: 74719 G-vectors FFT dimensions: ( 40, 54, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 270, 60) NL pseudopotentials 0.34 Mb ( 135, 164) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 3116) G-vector shells 0.02 Mb ( 3038) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 270, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.30 Mb ( 164, 2, 60) The potential is recalculated from file : ./HgSBr.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 12.0 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 14.0 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.0 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.1 secs Computing kpt #: 17 total cpu time spent up to now is 20.1 secs Computing kpt #: 18 total cpu time spent up to now is 21.1 secs Computing kpt #: 19 total cpu time spent up to now is 22.1 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.2 secs Computing kpt #: 22 total cpu time spent up to now is 25.2 secs Computing kpt #: 23 total cpu time spent up to now is 26.2 secs Computing kpt #: 24 total cpu time spent up to now is 27.2 secs Computing kpt #: 25 total cpu time spent up to now is 28.3 secs Computing kpt #: 26 total cpu time spent up to now is 29.3 secs Computing kpt #: 27 total cpu time spent up to now is 30.3 secs Computing kpt #: 28 total cpu time spent up to now is 31.4 secs Computing kpt #: 29 total cpu time spent up to now is 32.4 secs Computing kpt #: 30 total cpu time spent up to now is 33.5 secs Computing kpt #: 31 total cpu time spent up to now is 34.5 secs Computing kpt #: 32 total cpu time spent up to now is 35.6 secs Computing kpt #: 33 total cpu time spent up to now is 36.6 secs Computing kpt #: 34 total cpu time spent up to now is 37.7 secs Computing kpt #: 35 total cpu time spent up to now is 38.8 secs Computing kpt #: 36 total cpu time spent up to now is 39.9 secs Computing kpt #: 37 total cpu time spent up to now is 41.0 secs Computing kpt #: 38 total cpu time spent up to now is 42.1 secs Computing kpt #: 39 total cpu time spent up to now is 43.2 secs Computing kpt #: 40 total cpu time spent up to now is 44.3 secs Computing kpt #: 41 total cpu time spent up to now is 45.4 secs Computing kpt #: 42 total cpu time spent up to now is 46.5 secs Computing kpt #: 43 total cpu time spent up to now is 47.6 secs Computing kpt #: 44 total cpu time spent up to now is 48.7 secs Computing kpt #: 45 total cpu time spent up to now is 49.8 secs Computing kpt #: 46 total cpu time spent up to now is 50.9 secs Computing kpt #: 47 total cpu time spent up to now is 52.0 secs Computing kpt #: 48 total cpu time spent up to now is 53.1 secs Computing kpt #: 49 total cpu time spent up to now is 54.2 secs Computing kpt #: 50 total cpu time spent up to now is 55.3 secs Computing kpt #: 51 total cpu time spent up to now is 56.5 secs Computing kpt #: 52 total cpu time spent up to now is 57.6 secs Computing kpt #: 53 total cpu time spent up to now is 58.7 secs Computing kpt #: 54 total cpu time spent up to now is 59.8 secs Computing kpt #: 55 total cpu time spent up to now is 60.9 secs Computing kpt #: 56 total cpu time spent up to now is 62.0 secs Computing kpt #: 57 total cpu time spent up to now is 63.2 secs Computing kpt #: 58 total cpu time spent up to now is 64.5 secs Computing kpt #: 59 total cpu time spent up to now is 65.7 secs Computing kpt #: 60 total cpu time spent up to now is 67.0 secs Computing kpt #: 61 total cpu time spent up to now is 68.3 secs Computing kpt #: 62 total cpu time spent up to now is 69.7 secs Computing kpt #: 63 total cpu time spent up to now is 71.0 secs Computing kpt #: 64 total cpu time spent up to now is 72.4 secs Computing kpt #: 65 total cpu time spent up to now is 73.7 secs Computing kpt #: 66 total cpu time spent up to now is 75.0 secs Computing kpt #: 67 total cpu time spent up to now is 76.2 secs Computing kpt #: 68 total cpu time spent up to now is 77.3 secs Computing kpt #: 69 total cpu time spent up to now is 78.5 secs Computing kpt #: 70 total cpu time spent up to now is 79.6 secs Computing kpt #: 71 total cpu time spent up to now is 80.7 secs Computing kpt #: 72 total cpu time spent up to now is 81.7 secs Computing kpt #: 73 total cpu time spent up to now is 82.8 secs Computing kpt #: 74 total cpu time spent up to now is 83.9 secs Computing kpt #: 75 total cpu time spent up to now is 85.0 secs Computing kpt #: 76 total cpu time spent up to now is 86.0 secs Computing kpt #: 77 total cpu time spent up to now is 87.1 secs Computing kpt #: 78 total cpu time spent up to now is 88.2 secs Computing kpt #: 79 total cpu time spent up to now is 89.3 secs Computing kpt #: 80 total cpu time spent up to now is 90.3 secs Computing kpt #: 81 total cpu time spent up to now is 91.4 secs Computing kpt #: 82 total cpu time spent up to now is 92.4 secs Computing kpt #: 83 total cpu time spent up to now is 93.5 secs Computing kpt #: 84 total cpu time spent up to now is 94.5 secs Computing kpt #: 85 total cpu time spent up to now is 95.6 secs Computing kpt #: 86 total cpu time spent up to now is 96.7 secs Computing kpt #: 87 total cpu time spent up to now is 97.7 secs Computing kpt #: 88 total cpu time spent up to now is 98.8 secs Computing kpt #: 89 total cpu time spent up to now is 99.8 secs Computing kpt #: 90 total cpu time spent up to now is 100.9 secs Computing kpt #: 91 total cpu time spent up to now is 102.0 secs Computing kpt #: 92 total cpu time spent up to now is 103.0 secs Computing kpt #: 93 total cpu time spent up to now is 104.1 secs Computing kpt #: 94 total cpu time spent up to now is 105.2 secs Computing kpt #: 95 total cpu time spent up to now is 106.2 secs Computing kpt #: 96 total cpu time spent up to now is 107.3 secs Computing kpt #: 97 total cpu time spent up to now is 108.3 secs Computing kpt #: 98 total cpu time spent up to now is 109.4 secs Computing kpt #: 99 total cpu time spent up to now is 110.5 secs Computing kpt #: 100 total cpu time spent up to now is 111.5 secs Computing kpt #: 101 total cpu time spent up to now is 112.6 secs Computing kpt #: 102 total cpu time spent up to now is 113.6 secs Computing kpt #: 103 total cpu time spent up to now is 114.7 secs Computing kpt #: 104 total cpu time spent up to now is 115.8 secs Computing kpt #: 105 total cpu time spent up to now is 116.8 secs Computing kpt #: 106 total cpu time spent up to now is 117.9 secs Computing kpt #: 107 total cpu time spent up to now is 118.9 secs Computing kpt #: 108 total cpu time spent up to now is 120.0 secs Computing kpt #: 109 total cpu 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up to now is 137.3 secs Computing kpt #: 125 total cpu time spent up to now is 138.4 secs Computing kpt #: 126 total cpu time spent up to now is 139.7 secs Computing kpt #: 127 total cpu time spent up to now is 141.0 secs Computing kpt #: 128 total cpu time spent up to now is 142.3 secs Computing kpt #: 129 total cpu time spent up to now is 143.4 secs Computing kpt #: 130 total cpu time spent up to now is 144.5 secs Computing kpt #: 131 total cpu time spent up to now is 145.7 secs Computing kpt #: 132 total cpu time spent up to now is 146.8 secs Computing kpt #: 133 total cpu time spent up to now is 148.0 secs Computing kpt #: 134 total cpu time spent up to now is 149.1 secs Computing kpt #: 135 total cpu time spent up to now is 150.2 secs Computing kpt #: 136 total cpu time spent up to now is 151.3 secs Computing kpt #: 137 total cpu time spent up to now is 152.4 secs Computing kpt #: 138 total cpu time spent up to now is 153.5 secs Computing kpt #: 139 total cpu time spent up to now is 154.6 secs Computing kpt #: 140 total cpu time spent up to now is 155.7 secs Computing kpt #: 141 total cpu time spent up to now is 156.8 secs Computing kpt #: 142 total cpu time spent up to now is 157.8 secs Computing kpt #: 143 total cpu time spent up to now is 158.9 secs Computing kpt #: 144 total cpu time spent up to now is 159.9 secs Computing kpt #: 145 total cpu time spent up to now is 161.0 secs Computing kpt #: 146 total cpu time spent up to now is 162.0 secs Computing kpt #: 147 total cpu time spent up to now is 163.1 secs Computing kpt #: 148 total cpu time spent up to now is 164.1 secs Computing kpt #: 149 total cpu time spent up to now is 165.2 secs Computing kpt #: 150 total cpu time spent up to now is 166.2 secs Computing kpt #: 151 total cpu time spent up to now is 167.2 secs Computing kpt #: 152 total cpu time spent up to now is 168.3 secs Computing kpt #: 153 total cpu time spent up to now is 169.3 secs Computing kpt #: 154 total cpu time spent up to now is 170.4 secs Computing kpt #: 155 total cpu time spent up to now is 171.5 secs Computing kpt #: 156 total cpu time spent up to now is 172.5 secs Computing kpt #: 157 total cpu time spent up to now is 173.6 secs Computing kpt #: 158 total cpu time spent up to now is 174.6 secs Computing kpt #: 159 total cpu time spent up to now is 175.7 secs Computing kpt #: 160 total cpu time spent up to now is 176.8 secs Computing kpt #: 161 total cpu time spent up to now is 177.9 secs Computing kpt #: 162 total cpu time spent up to now is 179.0 secs Computing kpt #: 163 total cpu time spent up to now is 180.1 secs Computing kpt #: 164 total cpu time spent up to now is 181.2 secs Computing kpt #: 165 total cpu time spent up to now is 182.2 secs Computing kpt #: 166 total cpu time spent up to now is 183.3 secs Computing kpt #: 167 total cpu time spent up to now is 184.3 secs Computing kpt #: 168 total cpu time spent up to now is 185.4 secs Computing kpt #: 169 total cpu time spent up to now is 186.5 secs Computing kpt #: 170 total cpu time spent up to now is 187.5 secs Computing kpt #: 171 total cpu time spent up to now is 188.6 secs Computing kpt #: 172 total cpu time spent up to now is 189.7 secs Computing kpt #: 173 total cpu time spent up to now is 190.8 secs Computing kpt #: 174 total cpu time spent up to now is 191.9 secs Computing kpt #: 175 total cpu time spent up to now is 193.0 secs Computing kpt #: 176 total cpu time spent up to now is 194.3 secs Computing kpt #: 177 total cpu time spent up to now is 195.7 secs Computing kpt #: 178 total cpu time spent up to now is 196.8 secs Computing kpt #: 179 total cpu time spent up to now is 197.9 secs Computing kpt #: 180 total cpu time spent up to now is 199.0 secs Computing kpt #: 181 total cpu time spent up to now is 200.1 secs Computing kpt #: 182 total cpu time spent up to now is 201.1 secs Computing kpt #: 183 total cpu time spent up to now is 202.2 secs Computing kpt #: 184 total cpu time spent up to now is 203.3 secs Computing kpt #: 185 total cpu time spent up to now is 204.4 secs Computing kpt #: 186 total cpu time spent up to now is 205.4 secs Computing kpt #: 187 total cpu time spent up to now is 206.5 secs Computing kpt #: 188 total cpu time spent up to now is 207.6 secs Computing kpt #: 189 total cpu time spent up to now is 208.7 secs Computing kpt #: 190 total cpu time spent up to now is 209.8 secs Computing kpt #: 191 total cpu time spent up to now is 210.9 secs Computing kpt #: 192 total cpu time spent up to now is 212.0 secs Computing kpt #: 193 total cpu time spent up to now is 213.1 secs Computing kpt #: 194 total cpu time spent up to now is 214.2 secs Computing kpt #: 195 total cpu time spent up to now is 215.2 secs Computing kpt #: 196 total cpu time spent up to now is 216.3 secs Computing kpt #: 197 total cpu time spent up to now is 217.4 secs Computing kpt #: 198 total cpu time spent up to now is 218.5 secs Computing kpt #: 199 total cpu time spent up to now is 219.5 secs Computing kpt #: 200 total cpu time spent up to now is 220.6 secs Computing kpt #: 201 total cpu time spent up to now is 221.7 secs Computing kpt #: 202 total cpu time spent up to now is 222.8 secs Computing kpt #: 203 total cpu time spent up to now is 223.9 secs Computing kpt #: 204 total cpu time spent up to now is 225.0 secs Computing kpt #: 205 total cpu time spent up to now is 226.1 secs Computing kpt #: 206 total cpu time spent up to now is 227.2 secs Computing kpt #: 207 total cpu time spent up to now is 228.3 secs Computing kpt #: 208 total cpu time spent up to now is 229.3 secs Computing kpt #: 209 total cpu time spent up to now is 230.4 secs Computing kpt #: 210 total cpu time spent up to now is 231.5 secs Computing kpt #: 211 total cpu time spent up to now is 232.5 secs Computing kpt #: 212 total cpu time spent up to now is 233.5 secs Computing kpt #: 213 total cpu time spent up to now is 234.5 secs Computing kpt #: 214 total cpu time spent up to now is 235.5 secs Computing kpt #: 215 total cpu time spent up to now is 236.6 secs Computing kpt #: 216 total cpu time spent up to now is 237.6 secs Computing kpt #: 217 total cpu time spent up to now is 238.6 secs Computing kpt #: 218 total cpu time spent up to now is 239.7 secs Computing kpt #: 219 total cpu time spent up to now is 240.8 secs Computing kpt #: 220 total cpu time spent up to now is 241.9 secs Computing kpt #: 221 total cpu time spent up to now is 243.0 secs Computing kpt #: 222 total cpu time spent up to now is 244.1 secs Computing kpt #: 223 total cpu time spent up to now is 245.2 secs Computing kpt #: 224 total cpu time spent up to now is 246.3 secs Computing kpt #: 225 total cpu time spent up to now is 247.5 secs Computing kpt #: 226 total cpu time spent up to now is 248.6 secs Computing kpt #: 227 total cpu time spent up to now is 249.7 secs Computing kpt #: 228 total cpu time spent up to now is 250.9 secs Computing kpt #: 229 total cpu time spent up to now is 252.2 secs Computing kpt #: 230 total cpu time spent up to now is 253.5 secs Computing kpt #: 231 total cpu time spent up to now is 254.8 secs Computing kpt #: 232 total cpu time spent up to now is 256.1 secs Computing kpt #: 233 total cpu time spent up to now is 257.4 secs Computing kpt #: 234 total cpu time spent up to now is 258.7 secs Computing kpt #: 235 total cpu time spent up to now is 260.0 secs Computing kpt #: 236 total cpu time spent up to now is 261.2 secs Computing kpt #: 237 total cpu time spent up to now is 262.3 secs Computing kpt #: 238 total cpu time spent up to now is 263.5 secs Computing kpt #: 239 total cpu time spent up to now is 264.6 secs Computing kpt #: 240 total cpu time spent up to now is 265.7 secs Computing kpt #: 241 total cpu time spent up to now is 266.8 secs Computing kpt #: 242 total cpu time spent up to now is 267.9 secs Computing kpt #: 243 total cpu time spent up to now is 269.1 secs Computing kpt #: 244 total cpu time spent up to now is 270.2 secs Computing kpt #: 245 total cpu time spent up to now is 271.3 secs Computing kpt #: 246 total cpu time spent up to now is 272.4 secs Computing kpt #: 247 total cpu time spent up to now is 273.4 secs Computing kpt #: 248 total cpu time spent up to now is 274.5 secs ethr = 2.00E-08, avg # of iterations = 17.0 total cpu time spent up to now is 274.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9313 PWs) bands (ev): -13.0914 -13.0914 -12.7025 -12.7025 -9.9629 -9.9629 -9.8201 -9.8201 -5.9621 -5.9621 -5.7317 -5.7317 -5.4896 -5.4896 -5.4608 -5.4608 -4.5635 -4.5635 -4.2728 -4.2728 -3.9746 -3.9746 -3.8937 -3.8937 -3.5511 -3.5511 -3.5360 -3.5360 -2.5067 -2.5067 -2.4222 -2.4222 -1.3357 -1.3357 -0.4250 -0.4250 -0.0955 -0.0955 -0.0448 -0.0448 0.3978 0.3978 0.6883 0.6883 1.0820 1.0820 1.2015 1.2015 1.3776 1.3776 1.6611 1.6611 3.8825 3.8825 4.6302 4.6302 5.9193 5.9193 6.2902 6.2902 k = 0.0000 0.0000 0.0129 ( 9314 PWs) bands (ev): -13.0913 -13.0913 -12.7025 -12.7025 -9.9633 -9.9633 -9.8197 -9.8197 -5.9618 -5.9618 -5.7321 -5.7321 -5.4896 -5.4896 -5.4608 -5.4608 -4.5632 -4.5632 -4.2734 -4.2734 -3.9746 -3.9746 -3.8938 -3.8938 -3.5511 -3.5511 -3.5361 -3.5361 -2.5066 -2.5066 -2.4225 -2.4225 -1.3337 -1.3337 -0.4249 -0.4249 -0.1001 -0.1001 -0.0414 -0.0414 0.3977 0.3977 0.6881 0.6881 1.0812 1.0812 1.2010 1.2010 1.3766 1.3766 1.6621 1.6621 3.8852 3.8852 4.6305 4.6305 5.9183 5.9183 6.2908 6.2908 k = 0.0000 0.0000 0.0258 ( 9319 PWs) bands (ev): -13.0913 -13.0913 -12.7025 -12.7025 -9.9644 -9.9644 -9.8186 -9.8186 -5.9610 -5.9610 -5.7330 -5.7330 -5.4895 -5.4895 -5.4609 -5.4609 -4.5624 -4.5624 -4.2750 -4.2750 -3.9744 -3.9744 -3.8938 -3.8938 -3.5511 -3.5511 -3.5361 -3.5361 -2.5065 -2.5065 -2.4233 -2.4233 -1.3276 -1.3276 -0.4248 -0.4248 -0.1116 -0.1116 -0.0335 -0.0335 0.3973 0.3973 0.6877 0.6877 1.0788 1.0788 1.1994 1.1994 1.3738 1.3738 1.6650 1.6650 3.8933 3.8933 4.6314 4.6314 5.9156 5.9156 6.2926 6.2926 k = 0.0000 0.0000 0.0387 ( 9323 PWs) bands (ev): -13.0913 -13.0913 -12.7025 -12.7025 -9.9661 -9.9661 -9.8168 -9.8168 -5.9596 -5.9596 -5.7345 -5.7345 -5.4895 -5.4895 -5.4609 -5.4609 -4.5611 -4.5611 -4.2776 -4.2776 -3.9742 -3.9742 -3.8938 -3.8938 -3.5511 -3.5511 -3.5362 -3.5362 -2.5063 -2.5063 -2.4248 -2.4248 -1.3177 -1.3177 -0.4246 -0.4246 -0.1270 -0.1270 -0.0240 -0.0240 0.3967 0.3967 0.6869 0.6869 1.0749 1.0749 1.1970 1.1970 1.3693 1.3693 1.6695 1.6695 3.9066 3.9066 4.6327 4.6327 5.9111 5.9111 6.2955 6.2955 k = 0.0000 0.0000 0.0516 ( 9324 PWs) bands (ev): -13.0913 -13.0913 -12.7025 -12.7025 -9.9684 -9.9684 -9.8144 -9.8144 -5.9577 -5.9577 -5.7366 -5.7366 -5.4894 -5.4894 -5.4610 -5.4610 -4.5592 -4.5592 -4.2812 -4.2812 -3.9739 -3.9739 -3.8938 -3.8938 -3.5510 -3.5510 -3.5363 -3.5363 -2.5060 -2.5060 -2.4267 -2.4267 -1.3039 -1.3039 -0.4244 -0.4244 -0.1450 -0.1450 -0.0142 -0.0142 0.3959 0.3959 0.6859 0.6859 1.0695 1.0695 1.1939 1.1939 1.3635 1.3635 1.6756 1.6756 3.9249 3.9249 4.6344 4.6344 5.9051 5.9051 6.2995 6.2995 k = 0.0000 0.0000 0.0644 ( 9328 PWs) bands (ev): -13.0912 -13.0912 -12.7025 -12.7025 -9.9711 -9.9711 -9.8115 -9.8115 -5.9553 -5.9553 -5.7393 -5.7393 -5.4893 -5.4893 -5.4610 -5.4610 -4.5569 -4.5569 -4.2857 -4.2857 -3.9736 -3.9736 -3.8938 -3.8938 -3.5509 -3.5509 -3.5364 -3.5364 -2.5056 -2.5056 -2.4291 -2.4291 -1.2865 -1.2865 -0.4242 -0.4242 -0.1651 -0.1651 -0.0047 -0.0047 0.3948 0.3948 0.6847 0.6847 1.0627 1.0627 1.1903 1.1903 1.3564 1.3564 1.6827 1.6827 3.9477 3.9477 4.6361 4.6361 5.8978 5.8978 6.3044 6.3044 k = 0.0000 0.0000 0.0773 ( 9326 PWs) bands (ev): -13.0912 -13.0912 -12.7025 -12.7025 -9.9742 -9.9742 -9.8082 -9.8082 -5.9524 -5.9524 -5.7424 -5.7424 -5.4893 -5.4893 -5.4611 -5.4611 -4.5540 -4.5540 -4.2911 -4.2911 -3.9732 -3.9732 -3.8938 -3.8938 -3.5508 -3.5508 -3.5365 -3.5365 -2.5051 -2.5051 -2.4319 -2.4319 -1.2655 -1.2655 -0.4243 -0.4243 -0.1870 -0.1870 0.0044 0.0044 0.3935 0.3935 0.6833 0.6833 1.0547 1.0547 1.1864 1.1864 1.3486 1.3486 1.6907 1.6907 3.9746 3.9746 4.6377 4.6377 5.8895 5.8895 6.3103 6.3103 k = 0.0000 0.0000 0.0902 ( 9325 PWs) bands (ev): -13.0911 -13.0911 -12.7026 -12.7026 -9.9775 -9.9775 -9.8048 -9.8048 -5.9491 -5.9491 -5.7461 -5.7461 -5.4892 -5.4892 -5.4612 -5.4612 -4.5508 -4.5508 -4.2971 -4.2971 -3.9728 -3.9728 -3.8938 -3.8938 -3.5508 -3.5508 -3.5367 -3.5367 -2.5045 -2.5045 -2.4350 -2.4350 -1.2414 -1.2414 -0.4248 -0.4248 -0.2105 -0.2105 0.0131 0.0131 0.3921 0.3921 0.6818 0.6818 1.0458 1.0458 1.1825 1.1825 1.3403 1.3403 1.6992 1.6992 4.0051 4.0051 4.6388 4.6388 5.8804 5.8804 6.3170 6.3170 k = 0.0000 0.0000 0.1031 ( 9320 PWs) bands (ev): -13.0911 -13.0911 -12.7026 -12.7026 -9.9809 -9.9809 -9.8012 -9.8012 -5.9453 -5.9453 -5.7502 -5.7502 -5.4891 -5.4891 -5.4613 -5.4613 -4.5471 -4.5471 -4.3038 -4.3038 -3.9723 -3.9723 -3.8939 -3.8939 -3.5507 -3.5507 -3.5368 -3.5368 -2.5039 -2.5039 -2.4383 -2.4383 -1.2143 -1.2143 -0.4259 -0.4259 -0.2352 -0.2352 0.0213 0.0213 0.3904 0.3904 0.6802 0.6802 1.0361 1.0361 1.1786 1.1786 1.3318 1.3318 1.7080 1.7080 4.0386 4.0386 4.6392 4.6392 5.8707 5.8707 6.3243 6.3243 k = 0.0000 0.0000 0.1160 ( 9320 PWs) bands (ev): -13.0910 -13.0910 -12.7026 -12.7026 -9.9843 -9.9843 -9.7976 -9.7976 -5.9413 -5.9413 -5.7546 -5.7546 -5.4889 -5.4889 -5.4614 -5.4614 -4.5430 -4.5430 -4.3109 -4.3109 -3.9718 -3.9718 -3.8939 -3.8939 -3.5506 -3.5506 -3.5370 -3.5370 -2.5031 -2.5031 -2.4417 -2.4417 -1.1845 -1.1845 -0.4282 -0.4282 -0.2608 -0.2608 0.0290 0.0290 0.3887 0.3887 0.6785 0.6785 1.0260 1.0260 1.1749 1.1749 1.3232 1.3232 1.7167 1.7167 4.0746 4.0746 4.6385 4.6385 5.8609 5.8609 6.3322 6.3322 k = 0.0000 0.0000 0.1289 ( 9322 PWs) bands (ev): -13.0910 -13.0910 -12.7027 -12.7027 -9.9876 -9.9876 -9.7940 -9.7940 -5.9369 -5.9369 -5.7593 -5.7593 -5.4888 -5.4888 -5.4615 -5.4615 -4.5387 -4.5387 -4.3184 -4.3184 -3.9713 -3.9713 -3.8939 -3.8939 -3.5505 -3.5505 -3.5372 -3.5372 -2.5023 -2.5023 -2.4452 -2.4452 -1.1524 -1.1524 -0.4325 -0.4325 -0.2862 -0.2862 0.0362 0.0362 0.3868 0.3868 0.6768 0.6768 1.0158 1.0158 1.1714 1.1714 1.3149 1.3149 1.7251 1.7251 4.1123 4.1123 4.6363 4.6363 5.8511 5.8511 6.3406 6.3406 k = 0.0000 0.0000 0.1418 ( 9309 PWs) bands (ev): -13.0909 -13.0909 -12.7027 -12.7027 -9.9908 -9.9908 -9.7907 -9.7907 -5.9324 -5.9324 -5.7642 -5.7642 -5.4887 -5.4887 -5.4617 -5.4617 -4.5341 -4.5341 -4.3260 -4.3260 -3.9708 -3.9708 -3.8939 -3.8939 -3.5504 -3.5504 -3.5374 -3.5374 -2.5015 -2.5015 -2.4488 -2.4488 -1.1185 -1.1185 -0.4399 -0.4399 -0.3100 -0.3100 0.0428 0.0428 0.3849 0.3849 0.6752 0.6752 1.0059 1.0059 1.1682 1.1682 1.3070 1.3070 1.7332 1.7332 4.1510 4.1510 4.6325 4.6325 5.8416 5.8416 6.3494 6.3494 k = 0.0000 0.0000 0.1547 ( 9325 PWs) bands (ev): -13.0908 -13.0908 -12.7027 -12.7027 -9.9937 -9.9937 -9.7875 -9.7875 -5.9278 -5.9278 -5.7691 -5.7691 -5.4886 -5.4886 -5.4618 -5.4618 -4.5294 -4.5294 -4.3335 -4.3335 -3.9704 -3.9704 -3.8940 -3.8940 -3.5503 -3.5503 -3.5375 -3.5375 -2.5005 -2.5005 -2.4522 -2.4522 -1.0831 -1.0831 -0.4520 -0.4520 -0.3306 -0.3306 0.0489 0.0489 0.3830 0.3830 0.6736 0.6736 0.9965 0.9965 1.1654 1.1654 1.2997 1.2997 1.7406 1.7406 4.1902 4.1902 4.6267 4.6267 5.8327 5.8327 6.3582 6.3582 k = 0.0000 0.0000 0.1676 ( 9321 PWs) bands (ev): -13.0908 -13.0908 -12.7028 -12.7028 -9.9964 -9.9964 -9.7847 -9.7847 -5.9233 -5.9233 -5.7740 -5.7740 -5.4885 -5.4885 -5.4619 -5.4619 -4.5247 -4.5247 -4.3409 -4.3409 -3.9700 -3.9700 -3.8940 -3.8940 -3.5502 -3.5502 -3.5377 -3.5377 -2.4995 -2.4995 -2.4555 -2.4555 -1.0468 -1.0468 -0.4699 -0.4699 -0.3462 -0.3462 0.0544 0.0544 0.3811 0.3811 0.6722 0.6722 0.9879 0.9879 1.1629 1.1629 1.2931 1.2931 1.7473 1.7473 4.2289 4.2289 4.6189 4.6189 5.8244 5.8244 6.3668 6.3668 k = 0.0000 0.0000 0.1805 ( 9315 PWs) bands (ev): -13.0907 -13.0907 -12.7028 -12.7028 -9.9987 -9.9987 -9.7822 -9.7822 -5.9189 -5.9189 -5.7787 -5.7787 -5.4884 -5.4884 -5.4620 -5.4620 -4.5202 -4.5202 -4.3477 -4.3477 -3.9696 -3.9696 -3.8940 -3.8940 -3.5501 -3.5501 -3.5378 -3.5378 -2.4986 -2.4986 -2.4585 -2.4585 -1.0106 -1.0106 -0.4932 -0.4932 -0.3567 -0.3567 0.0592 0.0592 0.3793 0.3793 0.6709 0.6709 0.9803 0.9803 1.1607 1.1607 1.2874 1.2874 1.7532 1.7532 4.2664 4.2664 4.6090 4.6090 5.8171 5.8171 6.3750 6.3750 k = 0.0000 0.0000 0.1933 ( 9316 PWs) bands (ev): -13.0907 -13.0907 -12.7028 -12.7028 -10.0007 -10.0007 -9.7801 -9.7801 -5.9149 -5.9149 -5.7829 -5.7829 -5.4883 -5.4883 -5.4620 -5.4620 -4.5161 -4.5161 -4.3539 -4.3539 -3.9693 -3.9693 -3.8940 -3.8940 -3.5500 -3.5500 -3.5379 -3.5379 -2.4976 -2.4976 -2.4612 -2.4612 -0.9753 -0.9753 -0.5197 -0.5197 -0.3633 -0.3633 0.0632 0.0632 0.3778 0.3778 0.6698 0.6698 0.9739 0.9739 1.1589 1.1589 1.2826 1.2826 1.7581 1.7581 4.3016 4.3016 4.5974 4.5974 5.8109 5.8109 6.3824 6.3824 k = 0.0000 0.0000 0.2062 ( 9314 PWs) bands (ev): -13.0907 -13.0907 -12.7028 -12.7028 -10.0022 -10.0022 -9.7784 -9.7784 -5.9115 -5.9115 -5.7865 -5.7865 -5.4883 -5.4883 -5.4621 -5.4621 -4.5125 -4.5125 -4.3591 -4.3591 -3.9690 -3.9690 -3.8940 -3.8940 -3.5500 -3.5500 -3.5380 -3.5380 -2.4967 -2.4967 -2.4634 -2.4634 -0.9427 -0.9427 -0.5467 -0.5467 -0.3672 -0.3672 0.0665 0.0665 0.3764 0.3764 0.6689 0.6689 0.9688 0.9688 1.1575 1.1575 1.2787 1.2787 1.7620 1.7620 4.3333 4.3333 4.5848 4.5848 5.8058 5.8058 6.3887 6.3887 k = 0.0000 0.0000 0.2191 ( 9312 PWs) bands (ev): -13.0906 -13.0906 -12.7028 -12.7028 -10.0033 -10.0033 -9.7772 -9.7772 -5.9088 -5.9088 -5.7893 -5.7893 -5.4882 -5.4882 -5.4621 -5.4621 -4.5097 -4.5097 -4.3631 -4.3631 -3.9688 -3.9688 -3.8941 -3.8941 -3.5499 -3.5499 -3.5381 -3.5381 -2.4960 -2.4960 -2.4651 -2.4651 -0.9151 -0.9151 -0.5708 -0.5708 -0.3694 -0.3694 0.0688 0.0688 0.3754 0.3754 0.6683 0.6683 0.9651 0.9651 1.1565 1.1565 1.2759 1.2759 1.7649 1.7649 4.3596 4.3596 4.5725 4.5725 5.8022 5.8022 6.3934 6.3934 k = 0.0000 0.0000 0.2320 ( 9314 PWs) bands (ev): -13.0906 -13.0906 -12.7028 -12.7028 -10.0040 -10.0040 -9.7765 -9.7765 -5.9072 -5.9072 -5.7911 -5.7911 -5.4882 -5.4882 -5.4622 -5.4622 -4.5079 -4.5079 -4.3656 -4.3656 -3.9687 -3.9687 -3.8941 -3.8941 -3.5499 -3.5499 -3.5381 -3.5381 -2.4955 -2.4955 -2.4662 -2.4662 -0.8960 -0.8960 -0.5880 -0.5880 -0.3705 -0.3705 0.0703 0.0703 0.3748 0.3748 0.6679 0.6679 0.9629 0.9629 1.1559 1.1559 1.2743 1.2743 1.7666 1.7666 4.3776 4.3776 4.5631 4.5631 5.7999 5.7999 6.3964 6.3964 k = 0.0000 0.0000 0.2449 ( 9314 PWs) bands (ev): -13.0906 -13.0906 -12.7028 -12.7028 -10.0043 -10.0043 -9.7763 -9.7763 -5.9066 -5.9066 -5.7917 -5.7917 -5.4882 -5.4882 -5.4622 -5.4622 -4.5073 -4.5073 -4.3665 -4.3665 -3.9687 -3.9687 -3.8941 -3.8941 -3.5499 -3.5499 -3.5382 -3.5382 -2.4953 -2.4953 -2.4666 -2.4666 -0.8891 -0.8891 -0.5944 -0.5944 -0.3708 -0.3708 0.0708 0.0708 0.3746 0.3746 0.6677 0.6677 0.9621 0.9621 1.1557 1.1557 1.2737 1.2737 1.7671 1.7671 4.3841 4.3841 4.5594 4.5594 5.7992 5.7992 6.3974 6.3974 k = 0.0000 0.0000 0.2449 ( 9314 PWs) bands (ev): -13.0906 -13.0906 -12.7028 -12.7028 -10.0043 -10.0043 -9.7763 -9.7763 -5.9066 -5.9066 -5.7917 -5.7917 -5.4882 -5.4882 -5.4622 -5.4622 -4.5073 -4.5073 -4.3665 -4.3665 -3.9687 -3.9687 -3.8941 -3.8941 -3.5499 -3.5499 -3.5382 -3.5382 -2.4953 -2.4953 -2.4666 -2.4666 -0.8891 -0.8891 -0.5944 -0.5944 -0.3708 -0.3708 0.0708 0.0708 0.3746 0.3746 0.6677 0.6677 0.9621 0.9621 1.1557 1.1557 1.2737 1.2737 1.7671 1.7671 4.3841 4.3841 4.5594 4.5594 5.7992 5.7992 6.3974 6.3974 k = 0.0000 0.0135 0.2449 ( 9308 PWs) bands (ev): -13.0903 -13.0903 -12.7032 -12.7032 -10.0043 -10.0043 -9.7764 -9.7764 -5.9069 -5.9069 -5.7913 -5.7913 -5.4882 -5.4882 -5.4622 -5.4622 -4.5076 -4.5076 -4.3658 -4.3658 -3.9686 -3.9686 -3.8940 -3.8940 -3.5499 -3.5499 -3.5382 -3.5382 -2.4978 -2.4978 -2.4633 -2.4633 -0.8939 -0.8939 -0.5931 -0.5931 -0.3691 -0.3691 0.0709 0.0709 0.3741 0.3741 0.6672 0.6672 0.9580 0.9580 1.1600 1.1600 1.2741 1.2741 1.7670 1.7670 4.3779 4.3779 4.5669 4.5669 5.8011 5.8011 6.4009 6.4009 k = 0.0000 0.0270 0.2449 ( 9312 PWs) bands (ev): -13.0892 -13.0892 -12.7043 -12.7043 -10.0042 -10.0042 -9.7768 -9.7768 -5.9078 -5.9078 -5.7902 -5.7902 -5.4881 -5.4881 -5.4621 -5.4621 -4.5086 -4.5086 -4.3639 -4.3639 -3.9685 -3.9685 -3.8938 -3.8938 -3.5498 -3.5498 -3.5381 -3.5381 -2.5031 -2.5031 -2.4554 -2.4554 -0.9077 -0.9077 -0.5899 -0.5899 -0.3639 -0.3639 0.0713 0.0713 0.3726 0.3726 0.6657 0.6657 0.9470 0.9470 1.1715 1.1715 1.2755 1.2755 1.7664 1.7664 4.3622 4.3622 4.5868 4.5868 5.8068 5.8068 6.4111 6.4111 k = 0.0000 0.0405 0.2449 ( 9315 PWs) bands (ev): -13.0874 -13.0874 -12.7061 -12.7061 -10.0042 -10.0042 -9.7775 -9.7775 -5.9091 -5.9091 -5.7885 -5.7885 -5.4880 -5.4880 -5.4621 -5.4621 -4.5100 -4.5100 -4.3609 -4.3609 -3.9683 -3.9683 -3.8935 -3.8935 -3.5496 -3.5496 -3.5381 -3.5381 -2.5089 -2.5089 -2.4453 -2.4453 -0.9288 -0.9288 -0.5862 -0.5862 -0.3556 -0.3556 0.0721 0.0721 0.3697 0.3697 0.6629 0.6629 0.9322 0.9322 1.1872 1.1872 1.2782 1.2782 1.7656 1.7656 4.3420 4.3420 4.6139 4.6139 5.8163 5.8163 6.4280 6.4280 k = 0.0000 0.0540 0.2449 ( 9317 PWs) bands (ev): -13.0848 -13.0848 -12.7086 -12.7086 -10.0041 -10.0041 -9.7785 -9.7785 -5.9109 -5.9109 -5.7863 -5.7863 -5.4879 -5.4879 -5.4620 -5.4620 -4.5118 -4.5118 -4.3570 -4.3570 -3.9680 -3.9680 -3.8931 -3.8931 -3.5494 -3.5494 -3.5381 -3.5381 -2.5144 -2.5144 -2.4340 -2.4340 -0.9551 -0.9551 -0.5832 -0.5832 -0.3447 -0.3447 0.0734 0.0734 0.3654 0.3654 0.6583 0.6583 0.9164 0.9164 1.2041 1.2041 1.2829 1.2829 1.7643 1.7643 4.3211 4.3211 4.6445 4.6445 5.8295 5.8295 6.4513 6.4513 k = 0.0000 0.0674 0.2449 ( 9312 PWs) bands (ev): -13.0816 -13.0816 -12.7119 -12.7119 -10.0039 -10.0039 -9.7798 -9.7798 -5.9129 -5.9129 -5.7837 -5.7837 -5.4878 -5.4878 -5.4619 -5.4619 -4.5137 -4.5137 -4.3524 -4.3524 -3.9676 -3.9676 -3.8926 -3.8926 -3.5492 -3.5492 -3.5381 -3.5381 -2.5191 -2.5191 -2.4218 -2.4218 -0.9846 -0.9846 -0.5820 -0.5820 -0.3319 -0.3319 0.0749 0.0749 0.3593 0.3593 0.6515 0.6515 0.9020 0.9020 1.2197 1.2197 1.2907 1.2907 1.7625 1.7625 4.3017 4.3017 4.6765 4.6765 5.8464 5.8464 6.4805 6.4805 k = 0.0000 0.0809 0.2449 ( 9315 PWs) bands (ev): -13.0776 -13.0776 -12.7158 -12.7158 -10.0037 -10.0037 -9.7814 -9.7814 -5.9150 -5.9150 -5.7808 -5.7808 -5.4876 -5.4876 -5.4618 -5.4618 -4.5155 -4.5155 -4.3476 -4.3476 -3.9671 -3.9671 -3.8920 -3.8920 -3.5489 -3.5489 -3.5380 -3.5380 -2.5230 -2.5230 -2.4092 -2.4092 -1.0158 -1.0158 -0.5830 -0.5830 -0.3179 -0.3179 0.0762 0.0762 0.3515 0.3515 0.6420 0.6420 0.8905 0.8905 1.2322 1.2322 1.3024 1.3024 1.7603 1.7603 4.2851 4.2851 4.7085 4.7085 5.8670 5.8670 6.5150 6.5150 k = 0.0000 0.0944 0.2449 ( 9317 PWs) bands (ev): -13.0730 -13.0730 -12.7205 -12.7205 -10.0033 -10.0033 -9.7833 -9.7833 -5.9171 -5.9171 -5.7778 -5.7778 -5.4874 -5.4874 -5.4616 -5.4616 -4.5171 -4.5171 -4.3427 -4.3427 -3.9665 -3.9665 -3.8913 -3.8913 -3.5485 -3.5485 -3.5380 -3.5380 -2.5261 -2.5261 -2.3963 -2.3963 -1.0473 -1.0473 -0.5863 -0.5863 -0.3032 -0.3032 0.0765 0.0765 0.3425 0.3425 0.6297 0.6297 0.8827 0.8827 1.2412 1.2412 1.3179 1.3179 1.7576 1.7576 4.2721 4.2721 4.7395 4.7395 5.8910 5.8910 6.5544 6.5544 k = 0.0000 0.1079 0.2449 ( 9310 PWs) bands (ev): -13.0677 -13.0677 -12.7258 -12.7258 -10.0028 -10.0028 -9.7856 -9.7856 -5.9190 -5.9190 -5.7748 -5.7748 -5.4871 -5.4871 -5.4615 -5.4615 -4.5183 -4.5183 -4.3380 -4.3380 -3.9658 -3.9658 -3.8905 -3.8905 -3.5481 -3.5481 -3.5380 -3.5380 -2.5281 -2.5281 -2.3834 -2.3834 -1.0781 -1.0781 -0.5919 -0.5919 -0.2882 -0.2882 0.0745 0.0745 0.3332 0.3332 0.6150 0.6150 0.8787 0.8787 1.2478 1.2478 1.3358 1.3358 1.7544 1.7544 4.2634 4.2634 4.7691 4.7691 5.9183 5.9183 6.5979 6.5979 k = 0.0000 0.1214 0.2449 ( 9312 PWs) bands (ev): -13.0618 -13.0618 -12.7317 -12.7317 -10.0022 -10.0022 -9.7881 -9.7881 -5.9208 -5.9208 -5.7719 -5.7719 -5.4869 -5.4869 -5.4613 -5.4613 -4.5191 -4.5191 -4.3336 -4.3336 -3.9650 -3.9650 -3.8896 -3.8896 -3.5477 -3.5477 -3.5379 -3.5379 -2.5293 -2.5293 -2.3707 -2.3707 -1.1072 -1.1072 -0.5994 -0.5994 -0.2731 -0.2731 0.0686 0.0686 0.3248 0.3248 0.5983 0.5983 0.8777 0.8777 1.2531 1.2531 1.3549 1.3549 1.7506 1.7506 4.2592 4.2592 4.7966 4.7966 5.9487 5.9487 6.6447 6.6447 k = 0.0000 0.1349 0.2449 ( 9307 PWs) bands (ev): -13.0552 -13.0552 -12.7383 -12.7383 -10.0013 -10.0013 -9.7910 -9.7910 -5.9222 -5.9222 -5.7692 -5.7692 -5.4866 -5.4866 -5.4611 -5.4611 -4.5192 -4.5192 -4.3299 -4.3299 -3.9641 -3.9641 -3.8887 -3.8887 -3.5472 -3.5472 -3.5379 -3.5379 -2.5296 -2.5296 -2.3585 -2.3585 -1.1339 -1.1339 -0.6085 -0.6085 -0.2580 -0.2580 0.0572 0.0572 0.3184 0.3184 0.5804 0.5804 0.8792 0.8792 1.2580 1.2580 1.3742 1.3742 1.7462 1.7462 4.2600 4.2600 4.8218 4.8218 5.9817 5.9817 6.6939 6.6939 k = 0.0000 0.1484 0.2449 ( 9312 PWs) bands (ev): -13.0480 -13.0480 -12.7455 -12.7455 -10.0003 -10.0003 -9.7942 -9.7942 -5.9233 -5.9233 -5.7667 -5.7667 -5.4863 -5.4863 -5.4609 -5.4609 -4.5187 -4.5187 -4.3269 -4.3269 -3.9631 -3.9631 -3.8877 -3.8877 -3.5467 -3.5467 -3.5379 -3.5379 -2.5291 -2.5291 -2.3470 -2.3470 -1.1574 -1.1574 -0.6190 -0.6190 -0.2430 -0.2430 0.0396 0.0396 0.3149 0.3149 0.5620 0.5620 0.8822 0.8822 1.2629 1.2629 1.3933 1.3933 1.7411 1.7411 4.2658 4.2658 4.8442 4.8442 6.0171 6.0171 6.7446 6.7446 k = 0.0000 0.1619 0.2449 ( 9304 PWs) bands (ev): -13.0403 -13.0403 -12.7532 -12.7532 -9.9990 -9.9990 -9.7977 -9.7977 -5.9240 -5.9240 -5.7645 -5.7645 -5.4860 -5.4860 -5.4607 -5.4607 -4.5175 -4.5175 -4.3248 -4.3248 -3.9621 -3.9621 -3.8867 -3.8867 -3.5462 -3.5462 -3.5379 -3.5379 -2.5277 -2.5277 -2.3366 -2.3366 -1.1772 -1.1772 -0.6304 -0.6304 -0.2285 -0.2285 0.0161 0.0161 0.3139 0.3139 0.5440 0.5440 0.8861 0.8861 1.2681 1.2681 1.4118 1.4118 1.7355 1.7355 4.2765 4.2765 4.8636 4.8636 6.0543 6.0543 6.7958 6.7958 k = 0.0000 0.1753 0.2449 ( 9301 PWs) bands (ev): -13.0320 -13.0320 -12.7615 -12.7615 -9.9974 -9.9974 -9.8015 -9.8015 -5.9243 -5.9243 -5.7626 -5.7626 -5.4857 -5.4857 -5.4605 -5.4605 -4.5156 -4.5156 -4.3236 -4.3236 -3.9609 -3.9609 -3.8856 -3.8856 -3.5457 -3.5457 -3.5378 -3.5378 -2.5256 -2.5256 -2.3275 -2.3275 -1.1927 -1.1927 -0.6425 -0.6425 -0.2150 -0.2150 -0.0119 -0.0119 0.3142 0.3142 0.5271 0.5271 0.8901 0.8901 1.2737 1.2737 1.4297 1.4297 1.7293 1.7293 4.2920 4.2920 4.8796 4.8796 6.0929 6.0929 6.8464 6.8464 k = 0.0000 0.1888 0.2449 ( 9317 PWs) bands (ev): -13.0232 -13.0232 -12.7704 -12.7704 -9.9957 -9.9957 -9.8055 -9.8055 -5.9243 -5.9243 -5.7610 -5.7610 -5.4853 -5.4853 -5.4603 -5.4603 -4.5131 -4.5131 -4.3234 -4.3234 -3.9598 -3.9598 -3.8846 -3.8846 -3.5451 -3.5451 -3.5379 -3.5379 -2.5228 -2.5228 -2.3199 -2.3199 -1.2037 -1.2037 -0.6548 -0.6548 -0.2043 -0.2043 -0.0413 -0.0413 0.3142 0.3142 0.5122 0.5122 0.8939 0.8939 1.2798 1.2798 1.4467 1.4467 1.7225 1.7225 4.3120 4.3120 4.8922 4.8922 6.1322 6.1322 6.8955 6.8955 k = 0.0000 0.2023 0.2449 ( 9331 PWs) bands (ev): -13.0139 -13.0139 -12.7797 -12.7797 -9.9937 -9.9937 -9.8097 -9.8097 -5.9238 -5.9238 -5.7597 -5.7597 -5.4850 -5.4850 -5.4601 -5.4601 -4.5099 -4.5099 -4.3241 -4.3241 -3.9585 -3.9585 -3.8835 -3.8835 -3.5446 -3.5446 -3.5379 -3.5379 -2.5195 -2.5195 -2.3140 -2.3140 -1.2099 -1.2099 -0.6672 -0.6672 -0.2005 -0.2005 -0.0669 -0.0669 0.3119 0.3119 0.5004 0.5004 0.8972 0.8972 1.2863 1.2863 1.4629 1.4629 1.7153 1.7153 4.3364 4.3364 4.9010 4.9010 6.1718 6.1718 6.9419 6.9419 k = 0.0000 0.2158 0.2449 ( 9329 PWs) bands (ev): -13.0042 -13.0042 -12.7894 -12.7894 -9.9915 -9.9915 -9.8140 -9.8140 -5.9231 -5.9231 -5.7588 -5.7588 -5.4847 -5.4847 -5.4599 -5.4599 -4.5061 -4.5061 -4.3258 -4.3258 -3.9573 -3.9573 -3.8825 -3.8825 -3.5440 -3.5440 -3.5379 -3.5379 -2.5156 -2.5156 -2.3100 -2.3100 -1.2112 -1.2112 -0.6792 -0.6792 -0.2100 -0.2100 -0.0806 -0.0806 0.3059 0.3059 0.4922 0.4922 0.8999 0.8999 1.2933 1.2933 1.4781 1.4781 1.7076 1.7076 4.3645 4.3645 4.9058 4.9058 6.2108 6.2108 6.9849 6.9849 k = 0.0000 0.2293 0.2449 ( 9333 PWs) bands (ev): -12.9941 -12.9941 -12.7996 -12.7996 -9.9891 -9.9891 -9.8184 -9.8184 -5.9221 -5.9221 -5.7581 -5.7581 -5.4844 -5.4844 -5.4597 -5.4597 -4.5018 -4.5018 -4.3283 -4.3283 -3.9561 -3.9561 -3.8815 -3.8815 -3.5435 -3.5435 -3.5379 -3.5379 -2.5113 -2.5113 -2.3077 -2.3077 -1.2079 -1.2079 -0.6907 -0.6907 -0.2353 -0.2353 -0.0791 -0.0791 0.2955 0.2955 0.4881 0.4881 0.9019 0.9019 1.3005 1.3005 1.4923 1.4923 1.6997 1.6997 4.3959 4.3959 4.9066 4.9066 6.2488 6.2488 7.0237 7.0237 k = 0.0000 0.2428 0.2449 ( 9335 PWs) bands (ev): -12.9836 -12.9836 -12.8101 -12.8101 -9.9866 -9.9866 -9.8228 -9.8228 -5.9210 -5.9210 -5.7577 -5.7577 -5.4842 -5.4842 -5.4595 -5.4595 -4.4970 -4.4970 -4.3316 -4.3316 -3.9550 -3.9550 -3.8806 -3.8806 -3.5430 -3.5430 -3.5380 -3.5380 -2.5067 -2.5067 -2.3070 -2.3070 -1.2004 -1.2004 -0.7014 -0.7014 -0.2705 -0.2705 -0.0672 -0.0672 0.2808 0.2808 0.4875 0.4875 0.9033 0.9033 1.3079 1.3079 1.5053 1.5053 1.6915 1.6915 4.4301 4.4301 4.9030 4.9030 6.2848 6.2848 7.0577 7.0577 k = 0.0000 0.2563 0.2449 ( 9332 PWs) bands (ev): -12.9728 -12.9728 -12.8210 -12.8210 -9.9840 -9.9840 -9.8272 -9.8272 -5.9197 -5.9197 -5.7575 -5.7575 -5.4839 -5.4839 -5.4593 -5.4593 -4.4920 -4.4920 -4.3354 -4.3354 -3.9539 -3.9539 -3.8798 -3.8798 -3.5425 -3.5425 -3.5381 -3.5381 -2.5020 -2.5020 -2.3079 -2.3079 -1.1893 -1.1893 -0.7111 -0.7111 -0.3097 -0.3097 -0.0498 -0.0498 0.2623 0.2623 0.4894 0.4894 0.9041 0.9041 1.3152 1.3152 1.5173 1.5173 1.6834 1.6834 4.4664 4.4664 4.8951 4.8951 6.3183 6.3183 7.0868 7.0868 k = 0.0000 0.2698 0.2449 ( 9326 PWs) bands (ev): -12.9617 -12.9617 -12.8320 -12.8320 -9.9814 -9.9814 -9.8313 -9.8313 -5.9184 -5.9184 -5.7575 -5.7575 -5.4837 -5.4837 -5.4592 -5.4592 -4.4869 -4.4869 -4.3396 -4.3396 -3.9530 -3.9530 -3.8791 -3.8791 -3.5420 -3.5420 -3.5382 -3.5382 -2.4972 -2.4972 -2.3099 -2.3099 -1.1754 -1.1754 -0.7197 -0.7197 -0.3493 -0.3493 -0.0293 -0.0293 0.2412 0.2412 0.4928 0.4928 0.9044 0.9044 1.3222 1.3222 1.5279 1.5279 1.6754 1.6754 4.5042 4.5042 4.8829 4.8829 6.3486 6.3486 7.1109 7.1109 k = 0.0000 0.2832 0.2449 ( 9331 PWs) bands (ev): -12.9505 -12.9505 -12.8433 -12.8433 -9.9790 -9.9790 -9.8351 -9.8351 -5.9172 -5.9172 -5.7575 -5.7575 -5.4835 -5.4835 -5.4590 -5.4590 -4.4818 -4.4818 -4.3439 -4.3439 -3.9521 -3.9521 -3.8784 -3.8784 -3.5416 -3.5416 -3.5383 -3.5383 -2.4927 -2.4927 -2.3126 -2.3126 -1.1599 -1.1599 -0.7270 -0.7270 -0.3869 -0.3869 -0.0069 -0.0069 0.2180 0.2180 0.4968 0.4968 0.9045 0.9045 1.3287 1.3287 1.5373 1.5373 1.6678 1.6678 4.5427 4.5427 4.8664 4.8664 6.3748 6.3748 7.1302 7.1302 k = 0.0000 0.2967 0.2449 ( 9312 PWs) bands (ev): -12.9392 -12.9392 -12.8547 -12.8547 -9.9768 -9.9768 -9.8384 -9.8384 -5.9161 -5.9161 -5.7576 -5.7576 -5.4833 -5.4833 -5.4589 -5.4589 -4.4771 -4.4771 -4.3480 -4.3480 -3.9514 -3.9514 -3.8779 -3.8779 -3.5412 -3.5412 -3.5384 -3.5384 -2.4885 -2.4885 -2.3158 -2.3158 -1.1444 -1.1444 -0.7330 -0.7330 -0.4205 -0.4205 0.0168 0.0168 0.1936 0.1936 0.5009 0.5009 0.9043 0.9043 1.3346 1.3346 1.5452 1.5452 1.6608 1.6608 4.5812 4.5812 4.8458 4.8458 6.3964 6.3964 7.1449 7.1449 k = 0.0000 0.3102 0.2449 ( 9317 PWs) bands (ev): -12.9279 -12.9279 -12.8659 -12.8659 -9.9748 -9.9748 -9.8411 -9.8411 -5.9152 -5.9152 -5.7576 -5.7576 -5.4832 -5.4832 -5.4588 -5.4588 -4.4732 -4.4732 -4.3516 -4.3516 -3.9509 -3.9509 -3.8775 -3.8775 -3.5409 -3.5409 -3.5386 -3.5386 -2.4850 -2.4850 -2.3189 -2.3189 -1.1304 -1.1304 -0.7374 -0.7374 -0.4483 -0.4483 0.0412 0.0412 0.1684 0.1684 0.5045 0.5045 0.9041 0.9041 1.3394 1.3394 1.5516 1.5516 1.6548 1.6548 4.6188 4.6188 4.8216 4.8216 6.4129 6.4129 7.1554 7.1554 k = 0.0000 0.3237 0.2449 ( 9323 PWs) bands (ev): -12.9172 -12.9172 -12.8766 -12.8766 -9.9733 -9.9733 -9.8432 -9.8432 -5.9147 -5.9147 -5.7576 -5.7576 -5.4831 -5.4831 -5.4588 -5.4588 -4.4702 -4.4702 -4.3543 -4.3543 -3.9506 -3.9506 -3.8773 -3.8773 -3.5407 -3.5407 -3.5387 -3.5387 -2.4823 -2.4823 -2.3215 -2.3215 -1.1197 -1.1197 -0.7403 -0.7403 -0.4684 -0.4684 0.0659 0.0659 0.1432 0.1432 0.5075 0.5075 0.9039 0.9039 1.3430 1.3430 1.5562 1.5562 1.6500 1.6500 4.6542 4.6542 4.7949 4.7949 6.4236 6.4236 7.1621 7.1621 k = 0.0000 0.3372 0.2449 ( 9316 PWs) bands (ev): -12.9092 -12.9092 -12.8847 -12.8847 -9.9724 -9.9724 -9.8445 -9.8445 -5.9144 -5.9144 -5.7575 -5.7575 -5.4831 -5.4831 -5.4587 -5.4587 -4.4687 -4.4687 -4.3557 -4.3557 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4808 -2.4808 -2.3234 -2.3234 -1.1138 -1.1138 -0.7415 -0.7415 -0.4792 -0.4792 0.0885 0.0885 0.1204 0.1204 0.5095 0.5095 0.9038 0.9038 1.3453 1.3453 1.5588 1.5588 1.6469 1.6469 4.6837 4.6837 4.7688 4.7688 6.4284 6.4284 7.1651 7.1651 k = 0.0000 0.3372 0.2449 ( 9316 PWs) bands (ev): -12.9092 -12.9092 -12.8847 -12.8847 -9.9724 -9.9724 -9.8445 -9.8445 -5.9144 -5.9144 -5.7575 -5.7575 -5.4831 -5.4831 -5.4587 -5.4587 -4.4687 -4.4687 -4.3557 -4.3557 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4808 -2.4808 -2.3234 -2.3234 -1.1138 -1.1138 -0.7415 -0.7415 -0.4792 -0.4792 0.0885 0.0885 0.1204 0.1204 0.5095 0.5095 0.9038 0.9038 1.3453 1.3453 1.5588 1.5588 1.6469 1.6469 4.6837 4.6837 4.7688 4.7688 6.4284 6.4284 7.1651 7.1651 k = 0.0000 0.3427 0.2369 ( 9322 PWs) bands (ev): -12.9082 -12.9082 -12.8857 -12.8857 -9.9720 -9.9720 -9.8449 -9.8449 -5.9145 -5.9145 -5.7573 -5.7573 -5.4831 -5.4831 -5.4587 -5.4587 -4.4685 -4.4685 -4.3557 -4.3557 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4804 -2.4804 -2.3242 -2.3242 -1.1131 -1.1131 -0.7416 -0.7416 -0.4805 -0.4805 0.0927 0.0927 0.1163 0.1163 0.5107 0.5107 0.9029 0.9029 1.3461 1.3461 1.5594 1.5594 1.6458 1.6458 4.6946 4.6946 4.7577 4.7577 6.4290 6.4290 7.1672 7.1672 k = 0.0000 0.3427 0.2369 ( 9322 PWs) bands (ev): -12.9082 -12.9082 -12.8857 -12.8857 -9.9720 -9.9720 -9.8449 -9.8449 -5.9145 -5.9145 -5.7573 -5.7573 -5.4831 -5.4831 -5.4587 -5.4587 -4.4685 -4.4685 -4.3557 -4.3557 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4804 -2.4804 -2.3242 -2.3242 -1.1131 -1.1131 -0.7416 -0.7416 -0.4805 -0.4805 0.0927 0.0927 0.1163 0.1163 0.5107 0.5107 0.9029 0.9029 1.3461 1.3461 1.5594 1.5594 1.6458 1.6458 4.6946 4.6946 4.7577 4.7577 6.4290 6.4290 7.1672 7.1672 k = 0.0135 0.3427 0.2369 ( 9326 PWs) bands (ev): -12.9080 -12.9080 -12.8856 -12.8856 -9.9718 -9.9718 -9.8448 -9.8448 -5.9145 -5.9145 -5.7574 -5.7574 -5.4831 -5.4831 -5.4587 -5.4587 -4.4685 -4.4685 -4.3558 -4.3558 -3.9504 -3.9504 -3.8772 -3.8772 -3.5419 -3.5419 -3.5372 -3.5372 -2.4799 -2.4799 -2.3243 -2.3243 -1.1128 -1.1128 -0.7423 -0.7423 -0.4805 -0.4805 0.0871 0.0871 0.1199 0.1199 0.5114 0.5114 0.9033 0.9033 1.3451 1.3451 1.5578 1.5578 1.6455 1.6455 4.6951 4.6951 4.7580 4.7580 6.4305 6.4305 7.1674 7.1674 k = 0.0270 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.9076 -12.9076 -12.8853 -12.8853 -9.9713 -9.9713 -9.8446 -9.8446 -5.9142 -5.9142 -5.7576 -5.7576 -5.4830 -5.4830 -5.4585 -5.4585 -4.4685 -4.4685 -4.3561 -4.3561 -3.9504 -3.9504 -3.8773 -3.8773 -3.5437 -3.5437 -3.5349 -3.5349 -2.4786 -2.4786 -2.3249 -2.3249 -1.1116 -1.1116 -0.7445 -0.7445 -0.4805 -0.4805 0.0748 0.0748 0.1264 0.1264 0.5135 0.5135 0.9042 0.9042 1.3422 1.3422 1.5527 1.5527 1.6448 1.6448 4.6969 4.6969 4.7587 4.7587 6.4351 6.4351 7.1679 7.1679 k = 0.0405 0.3427 0.2369 ( 9330 PWs) bands (ev): -12.9070 -12.9070 -12.8847 -12.8847 -9.9704 -9.9704 -9.8443 -9.8443 -5.9139 -5.9139 -5.7579 -5.7579 -5.4829 -5.4829 -5.4582 -5.4582 -4.4684 -4.4684 -4.3565 -4.3565 -3.9503 -3.9503 -3.8776 -3.8776 -3.5454 -3.5454 -3.5323 -3.5323 -2.4763 -2.4763 -2.3257 -2.3257 -1.1098 -1.1098 -0.7483 -0.7483 -0.4804 -0.4804 0.0592 0.0592 0.1325 0.1325 0.5168 0.5168 0.9058 0.9058 1.3375 1.3375 1.5443 1.5443 1.6437 1.6437 4.6999 4.6999 4.7598 4.7598 6.4426 6.4426 7.1684 7.1684 k = 0.0541 0.3427 0.2369 ( 9324 PWs) bands (ev): -12.9061 -12.9061 -12.8840 -12.8840 -9.9691 -9.9691 -9.8438 -9.8438 -5.9134 -5.9134 -5.7583 -5.7583 -5.4828 -5.4828 -5.4577 -5.4577 -4.4684 -4.4684 -4.3571 -4.3571 -3.9503 -3.9503 -3.8780 -3.8780 -3.5469 -3.5469 -3.5296 -3.5296 -2.4730 -2.4730 -2.3269 -2.3269 -1.1072 -1.1072 -0.7535 -0.7535 -0.4804 -0.4804 0.0415 0.0415 0.1378 0.1378 0.5211 0.5211 0.9079 0.9079 1.3310 1.3310 1.5326 1.5326 1.6423 1.6423 4.7040 4.7040 4.7614 4.7614 6.4526 6.4526 7.1684 7.1684 k = 0.0676 0.3427 0.2369 ( 9318 PWs) bands (ev): -12.9049 -12.9049 -12.8830 -12.8830 -9.9676 -9.9676 -9.8432 -9.8432 -5.9127 -5.9127 -5.7589 -5.7589 -5.4827 -5.4827 -5.4572 -5.4572 -4.4683 -4.4683 -4.3580 -4.3580 -3.9503 -3.9503 -3.8784 -3.8784 -3.5482 -3.5482 -3.5268 -3.5268 -2.4690 -2.4690 -2.3285 -2.3285 -1.1039 -1.1039 -0.7603 -0.7603 -0.4804 -0.4804 0.0219 0.0219 0.1423 0.1423 0.5259 0.5259 0.9105 0.9105 1.3228 1.3228 1.5176 1.5176 1.6407 1.6407 4.7091 4.7091 4.7634 4.7634 6.4648 6.4648 7.1674 7.1674 k = 0.0811 0.3427 0.2369 ( 9316 PWs) bands (ev): -12.9036 -12.9036 -12.8818 -12.8818 -9.9656 -9.9656 -9.8425 -9.8425 -5.9120 -5.9120 -5.7595 -5.7595 -5.4825 -5.4825 -5.4566 -5.4566 -4.4682 -4.4682 -4.3589 -4.3589 -3.9502 -3.9502 -3.8790 -3.8790 -3.5493 -3.5493 -3.5238 -3.5238 -2.4641 -2.4641 -2.3303 -2.3303 -1.0998 -1.0998 -0.7687 -0.7687 -0.4805 -0.4805 0.0011 0.0011 0.1461 0.1461 0.5309 0.5309 0.9136 0.9136 1.3130 1.3130 1.4995 1.4995 1.6389 1.6389 4.7151 4.7151 4.7658 4.7658 6.4784 6.4784 7.1644 7.1644 k = 0.0946 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.9019 -12.9019 -12.8805 -12.8805 -9.9634 -9.9634 -9.8417 -9.8417 -5.9110 -5.9110 -5.7603 -5.7603 -5.4822 -5.4822 -5.4559 -5.4559 -4.4681 -4.4681 -4.3601 -4.3601 -3.9501 -3.9501 -3.8797 -3.8797 -3.5502 -3.5502 -3.5207 -3.5207 -2.4584 -2.4584 -2.3323 -2.3323 -1.0950 -1.0950 -0.7786 -0.7786 -0.4807 -0.4807 -0.0208 -0.0208 0.1495 0.1495 0.5359 0.5359 0.9170 0.9170 1.3019 1.3019 1.4786 1.4786 1.6371 1.6371 4.7220 4.7220 4.7685 4.7685 6.4928 6.4928 7.1583 7.1583 k = 0.1081 0.3427 0.2369 ( 9330 PWs) bands (ev): -12.9001 -12.9001 -12.8789 -12.8789 -9.9608 -9.9608 -9.8407 -9.8407 -5.9100 -5.9100 -5.7613 -5.7613 -5.4819 -5.4819 -5.4551 -5.4551 -4.4680 -4.4680 -4.3614 -4.3614 -3.9501 -3.9501 -3.8804 -3.8804 -3.5509 -3.5509 -3.5176 -3.5176 -2.4520 -2.4520 -2.3346 -2.3346 -1.0895 -1.0895 -0.7902 -0.7902 -0.4811 -0.4811 -0.0432 -0.0432 0.1526 0.1526 0.5405 0.5405 0.9206 0.9206 1.2896 1.2896 1.4551 1.4551 1.6351 1.6351 4.7296 4.7296 4.7715 4.7715 6.5068 6.5068 7.1483 7.1483 k = 0.1216 0.3427 0.2369 ( 9332 PWs) bands (ev): -12.8981 -12.8981 -12.8772 -12.8772 -9.9579 -9.9579 -9.8397 -9.8397 -5.9088 -5.9088 -5.7623 -5.7623 -5.4815 -5.4815 -5.4542 -5.4542 -4.4679 -4.4679 -4.3630 -4.3630 -3.9499 -3.9499 -3.8813 -3.8813 -3.5515 -3.5515 -3.5143 -3.5143 -2.4449 -2.4449 -2.3370 -2.3370 -1.0832 -1.0832 -0.8033 -0.8033 -0.4816 -0.4816 -0.0658 -0.0658 0.1557 0.1557 0.5445 0.5445 0.9244 0.9244 1.2762 1.2762 1.4295 1.4295 1.6331 1.6331 4.7378 4.7378 4.7748 4.7748 6.5188 6.5188 7.1333 7.1333 k = 0.1351 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.8958 -12.8958 -12.8754 -12.8754 -9.9548 -9.9548 -9.8386 -9.8386 -5.9075 -5.9075 -5.7635 -5.7635 -5.4811 -5.4811 -5.4534 -5.4534 -4.4677 -4.4677 -4.3647 -4.3647 -3.9498 -3.9498 -3.8823 -3.8823 -3.5519 -3.5519 -3.5111 -3.5111 -2.4374 -2.4374 -2.3394 -2.3394 -1.0762 -1.0762 -0.8179 -0.8179 -0.4825 -0.4825 -0.0883 -0.0883 0.1589 0.1589 0.5478 0.5478 0.9281 0.9281 1.2620 1.2620 1.4021 1.4021 1.6308 1.6308 4.7463 4.7463 4.7784 4.7784 6.5268 6.5268 7.1132 7.1132 k = 0.1486 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.8934 -12.8934 -12.8734 -12.8734 -9.9514 -9.9514 -9.8375 -9.8375 -5.9060 -5.9060 -5.7648 -5.7648 -5.4806 -5.4806 -5.4525 -5.4525 -4.4675 -4.4675 -4.3665 -4.3665 -3.9496 -3.9496 -3.8834 -3.8834 -3.5520 -3.5520 -3.5078 -3.5078 -2.4296 -2.4296 -2.3417 -2.3417 -1.0685 -1.0685 -0.8339 -0.8339 -0.4837 -0.4837 -0.1105 -0.1105 0.1623 0.1623 0.5502 0.5502 0.9316 0.9316 1.2469 1.2469 1.3736 1.3736 1.6284 1.6284 4.7551 4.7551 4.7824 4.7824 6.5279 6.5279 7.0890 7.0890 k = 0.1622 0.3427 0.2369 ( 9336 PWs) bands (ev): -12.8908 -12.8908 -12.8712 -12.8712 -9.9477 -9.9477 -9.8363 -9.8363 -5.9045 -5.9045 -5.7663 -5.7663 -5.4801 -5.4801 -5.4515 -5.4515 -4.4673 -4.4673 -4.3685 -4.3685 -3.9494 -3.9494 -3.8845 -3.8845 -3.5520 -3.5520 -3.5046 -3.5046 -2.4216 -2.4216 -2.3437 -2.3437 -1.0601 -1.0601 -0.8511 -0.8511 -0.4853 -0.4853 -0.1321 -0.1321 0.1660 0.1660 0.5515 0.5515 0.9346 0.9346 1.2311 1.2311 1.3446 1.3446 1.6258 1.6258 4.7636 4.7636 4.7869 4.7869 6.5189 6.5189 7.0634 7.0634 k = 0.1757 0.3427 0.2369 ( 9356 PWs) bands (ev): -12.8881 -12.8881 -12.8690 -12.8690 -9.9438 -9.9438 -9.8350 -9.8350 -5.9028 -5.9028 -5.7678 -5.7678 -5.4795 -5.4795 -5.4506 -5.4506 -4.4671 -4.4671 -4.3707 -4.3707 -3.9492 -3.9492 -3.8857 -3.8857 -3.5519 -3.5519 -3.5015 -3.5015 -2.4140 -2.4140 -2.3451 -2.3451 -1.0512 -1.0512 -0.8692 -0.8692 -0.4874 -0.4874 -0.1530 -0.1530 0.1702 0.1702 0.5519 0.5519 0.9371 0.9371 1.2143 1.2143 1.3161 1.3161 1.6229 1.6229 4.7715 4.7715 4.7924 4.7924 6.4963 6.4963 7.0403 7.0403 k = 0.1892 0.3427 0.2369 ( 9348 PWs) bands (ev): -12.8852 -12.8852 -12.8666 -12.8666 -9.9396 -9.9396 -9.8338 -9.8338 -5.9010 -5.9010 -5.7695 -5.7695 -5.4788 -5.4788 -5.4497 -5.4497 -4.4668 -4.4668 -4.3731 -4.3731 -3.9489 -3.9489 -3.8871 -3.8871 -3.5515 -3.5515 -3.4984 -3.4984 -2.4071 -2.4071 -2.3454 -2.3454 -1.0420 -1.0420 -0.8877 -0.8877 -0.4901 -0.4901 -0.1731 -0.1731 0.1749 0.1749 0.5512 0.5512 0.9386 0.9386 1.1959 1.1959 1.2892 1.2892 1.6197 1.6197 4.7783 4.7783 4.7991 4.7991 6.4582 6.4582 7.0216 7.0216 k = 0.2027 0.3427 0.2369 ( 9348 PWs) bands (ev): -12.8822 -12.8822 -12.8642 -12.8642 -9.9353 -9.9353 -9.8325 -9.8325 -5.8991 -5.8991 -5.7714 -5.7714 -5.4780 -5.4780 -5.4489 -5.4489 -4.4664 -4.4664 -4.3755 -4.3755 -3.9486 -3.9486 -3.8884 -3.8884 -3.5510 -3.5510 -3.4955 -3.4955 -2.4015 -2.4015 -2.3441 -2.3441 -1.0327 -1.0327 -0.9061 -0.9061 -0.4935 -0.4935 -0.1925 -0.1925 0.1802 0.1802 0.5495 0.5495 0.9389 0.9389 1.1751 1.1751 1.2657 1.2657 1.6162 1.6162 4.7837 4.7837 4.8072 4.8072 6.4053 6.4053 6.9941 6.9941 k = 0.2162 0.3427 0.2369 ( 9352 PWs) bands (ev): -12.8791 -12.8791 -12.8617 -12.8617 -9.9308 -9.9308 -9.8312 -9.8312 -5.8970 -5.8970 -5.7733 -5.7733 -5.4772 -5.4772 -5.4480 -5.4480 -4.4661 -4.4661 -4.3782 -4.3782 -3.9482 -3.9482 -3.8899 -3.8899 -3.5503 -3.5503 -3.4927 -3.4927 -2.3978 -2.3978 -2.3409 -2.3409 -1.0240 -1.0240 -0.9234 -0.9234 -0.4977 -0.4977 -0.2110 -0.2110 0.1862 0.1862 0.5468 0.5468 0.9378 0.9378 1.1512 1.1512 1.2469 1.2469 1.6123 1.6123 4.7881 4.7881 4.8162 4.8162 6.3404 6.3404 6.9231 6.9231 k = 0.2297 0.3427 0.2369 ( 9352 PWs) bands (ev): -12.8760 -12.8760 -12.8592 -12.8592 -9.9262 -9.9262 -9.8300 -9.8300 -5.8949 -5.8949 -5.7754 -5.7754 -5.4764 -5.4764 -5.4473 -5.4473 -4.4657 -4.4657 -4.3809 -4.3809 -3.9477 -3.9477 -3.8914 -3.8914 -3.5494 -3.5494 -3.4902 -3.4902 -2.3958 -2.3958 -2.3357 -2.3357 -1.0175 -1.0175 -0.9377 -0.9377 -0.5028 -0.5028 -0.2287 -0.2287 0.1928 0.1928 0.5434 0.5434 0.9349 0.9349 1.1242 1.1242 1.2333 1.2333 1.6080 1.6080 4.7917 4.7917 4.8258 4.8258 6.2671 6.2671 6.8356 6.8356 k = 0.2432 0.3427 0.2369 ( 9346 PWs) bands (ev): -12.8728 -12.8728 -12.8567 -12.8567 -9.9214 -9.9214 -9.8289 -9.8289 -5.8927 -5.8927 -5.7776 -5.7776 -5.4754 -5.4754 -5.4466 -5.4466 -4.4652 -4.4652 -4.3838 -4.3838 -3.9472 -3.9472 -3.8930 -3.8930 -3.5484 -3.5484 -3.4878 -3.4878 -2.3954 -2.3954 -2.3291 -2.3291 -1.0158 -1.0158 -0.9460 -0.9460 -0.5089 -0.5089 -0.2458 -0.2458 0.2002 0.2002 0.5392 0.5392 0.9300 0.9300 1.0950 1.0950 1.2247 1.2247 1.6033 1.6033 4.7949 4.7949 4.8355 4.8355 6.1890 6.1890 6.7450 6.7450 k = 0.2568 0.3427 0.2369 ( 9356 PWs) bands (ev): -12.8696 -12.8696 -12.8541 -12.8541 -9.9165 -9.9165 -9.8278 -9.8278 -5.8903 -5.8903 -5.7799 -5.7799 -5.4744 -5.4744 -5.4459 -5.4459 -4.4647 -4.4647 -4.3867 -4.3867 -3.9467 -3.9467 -3.8946 -3.8946 -3.5472 -3.5472 -3.4858 -3.4858 -2.3960 -2.3960 -2.3216 -2.3216 -1.0211 -1.0211 -0.9458 -0.9458 -0.5160 -0.5160 -0.2623 -0.2623 0.2083 0.2083 0.5344 0.5344 0.9231 0.9231 1.0647 1.0647 1.2202 1.2202 1.5982 1.5982 4.7977 4.7977 4.8453 4.8453 6.1087 6.1087 6.6536 6.6536 k = 0.2703 0.3427 0.2369 ( 9352 PWs) bands (ev): -12.8664 -12.8664 -12.8516 -12.8516 -9.9116 -9.9116 -9.8268 -9.8268 -5.8879 -5.8879 -5.7824 -5.7824 -5.4734 -5.4734 -5.4454 -5.4454 -4.4642 -4.4642 -4.3898 -4.3898 -3.9461 -3.9461 -3.8963 -3.8963 -3.5459 -3.5459 -3.4840 -3.4840 -2.3970 -2.3970 -2.3138 -2.3138 -1.0316 -1.0316 -0.9385 -0.9385 -0.5242 -0.5242 -0.2784 -0.2784 0.2172 0.2172 0.5292 0.5292 0.9141 0.9141 1.0341 1.0341 1.2193 1.2193 1.5925 1.5925 4.8002 4.8002 4.8550 4.8550 6.0285 6.0285 6.5624 6.5624 k = 0.2838 0.3427 0.2369 ( 9356 PWs) bands (ev): -12.8632 -12.8632 -12.8491 -12.8491 -9.9066 -9.9066 -9.8259 -9.8259 -5.8854 -5.8854 -5.7849 -5.7849 -5.4723 -5.4723 -5.4449 -5.4449 -4.4635 -4.4635 -4.3929 -4.3929 -3.9454 -3.9454 -3.8980 -3.8980 -3.5444 -3.5444 -3.4826 -3.4826 -2.3981 -2.3981 -2.3063 -2.3063 -1.0439 -1.0439 -0.9274 -0.9274 -0.5336 -0.5336 -0.2941 -0.2941 0.2268 0.2268 0.5237 0.5237 0.9032 0.9032 1.0039 1.0039 1.2214 1.2214 1.5863 1.5863 4.8025 4.8025 4.8644 4.8644 5.9498 5.9498 6.4723 6.4723 k = 0.2973 0.3427 0.2369 ( 9354 PWs) bands (ev): -12.8600 -12.8600 -12.8467 -12.8467 -9.9015 -9.9015 -9.8251 -9.8251 -5.8828 -5.8828 -5.7876 -5.7876 -5.4711 -5.4711 -5.4446 -5.4446 -4.4628 -4.4628 -4.3961 -4.3961 -3.9446 -3.9446 -3.8997 -3.8997 -3.5427 -3.5427 -3.4815 -3.4815 -2.3991 -2.3991 -2.2993 -2.2993 -1.0558 -1.0558 -0.9141 -0.9141 -0.5441 -0.5441 -0.3096 -0.3096 0.2372 0.2372 0.5181 0.5181 0.8906 0.8906 0.9745 0.9745 1.2260 1.2260 1.5796 1.5796 4.8046 4.8046 4.8735 4.8735 5.8739 5.8739 6.3837 6.3837 k = 0.3108 0.3427 0.2369 ( 9352 PWs) bands (ev): -12.8569 -12.8569 -12.8444 -12.8444 -9.8965 -9.8965 -9.8245 -9.8245 -5.8801 -5.8801 -5.7903 -5.7903 -5.4699 -5.4699 -5.4443 -5.4443 -4.4621 -4.4621 -4.3993 -4.3993 -3.9438 -3.9438 -3.9014 -3.9014 -3.5409 -3.5409 -3.4808 -3.4808 -2.3997 -2.3997 -2.2933 -2.2933 -1.0662 -1.0662 -0.8999 -0.8999 -0.5557 -0.5557 -0.3249 -0.3249 0.2483 0.2483 0.5126 0.5126 0.8764 0.8764 0.9463 0.9463 1.2328 1.2328 1.5723 1.5723 4.8067 4.8067 4.8821 4.8821 5.8017 5.8017 6.2973 6.2973 k = 0.3243 0.3427 0.2369 ( 9342 PWs) bands (ev): -12.8538 -12.8538 -12.8421 -12.8421 -9.8915 -9.8915 -9.8240 -9.8240 -5.8773 -5.8773 -5.7932 -5.7932 -5.4687 -5.4687 -5.4441 -5.4441 -4.4612 -4.4612 -4.4026 -4.4026 -3.9429 -3.9429 -3.9032 -3.9032 -3.5390 -3.5390 -3.4804 -3.4804 -2.3999 -2.3999 -2.2884 -2.2884 -1.0745 -1.0745 -0.8852 -0.8852 -0.5682 -0.5682 -0.3401 -0.3401 0.2601 0.2601 0.5072 0.5072 0.8610 0.8610 0.9196 0.9196 1.2413 1.2413 1.5645 1.5645 4.8087 4.8087 4.8900 4.8900 5.7339 5.7339 6.2133 6.2133 k = 0.3378 0.3427 0.2369 ( 9346 PWs) bands (ev): -12.8509 -12.8509 -12.8400 -12.8400 -9.8865 -9.8865 -9.8237 -9.8237 -5.8745 -5.8745 -5.7962 -5.7962 -5.4674 -5.4674 -5.4441 -5.4441 -4.4603 -4.4603 -4.4058 -4.4058 -3.9419 -3.9419 -3.9050 -3.9050 -3.5369 -3.5369 -3.4804 -3.4804 -2.3994 -2.3994 -2.2848 -2.2848 -1.0801 -1.0801 -0.8707 -0.8707 -0.5814 -0.5814 -0.3555 -0.3555 0.2725 0.2725 0.5020 0.5020 0.8445 0.8445 0.8945 0.8945 1.2513 1.2513 1.5561 1.5561 4.8108 4.8108 4.8972 4.8972 5.6714 5.6714 6.1323 6.1323 k = 0.3514 0.3427 0.2369 ( 9360 PWs) bands (ev): -12.8480 -12.8480 -12.8380 -12.8380 -9.8816 -9.8816 -9.8236 -9.8236 -5.8715 -5.8715 -5.7992 -5.7992 -5.4662 -5.4662 -5.4442 -5.4442 -4.4593 -4.4593 -4.4091 -4.4091 -3.9409 -3.9409 -3.9068 -3.9068 -3.5347 -3.5347 -3.4808 -3.4808 -2.3983 -2.3983 -2.2827 -2.2827 -1.0829 -1.0829 -0.8569 -0.8569 -0.5947 -0.5947 -0.3709 -0.3709 0.2856 0.2856 0.4971 0.4971 0.8274 0.8274 0.8711 0.8711 1.2624 1.2624 1.5471 1.5471 4.8129 4.8129 4.9034 4.9034 5.6146 5.6146 6.0545 6.0545 k = 0.3649 0.3427 0.2369 ( 9354 PWs) bands (ev): -12.8453 -12.8453 -12.8362 -12.8362 -9.8768 -9.8768 -9.8237 -9.8237 -5.8685 -5.8685 -5.8023 -5.8023 -5.4648 -5.4648 -5.4443 -5.4443 -4.4582 -4.4582 -4.4124 -4.4124 -3.9398 -3.9398 -3.9085 -3.9085 -3.5324 -3.5324 -3.4815 -3.4815 -2.3965 -2.3965 -2.2820 -2.2820 -1.0826 -1.0826 -0.8445 -0.8445 -0.6075 -0.6075 -0.3865 -0.3865 0.2991 0.2991 0.4925 0.4925 0.8100 0.8100 0.8492 0.8492 1.2745 1.2745 1.5376 1.5376 4.8153 4.8153 4.9084 4.9084 5.5642 5.5642 5.9802 5.9802 k = 0.3784 0.3427 0.2369 ( 9358 PWs) bands (ev): -12.8428 -12.8428 -12.8345 -12.8345 -9.8721 -9.8721 -9.8240 -9.8240 -5.8655 -5.8655 -5.8055 -5.8055 -5.4635 -5.4635 -5.4446 -5.4446 -4.4570 -4.4570 -4.4156 -4.4156 -3.9387 -3.9387 -3.9103 -3.9103 -3.5299 -3.5299 -3.4826 -3.4826 -2.3938 -2.3938 -2.2829 -2.2829 -1.0792 -1.0792 -0.8346 -0.8346 -0.6189 -0.6189 -0.4024 -0.4024 0.3132 0.3132 0.4883 0.4883 0.7929 0.7929 0.8289 0.8289 1.2873 1.2873 1.5274 1.5274 4.8180 4.8180 4.9120 4.9120 5.5206 5.5206 5.9096 5.9096 k = 0.3919 0.3427 0.2369 ( 9356 PWs) bands (ev): -12.8404 -12.8404 -12.8330 -12.8330 -9.8676 -9.8676 -9.8246 -9.8246 -5.8624 -5.8624 -5.8087 -5.8087 -5.4621 -5.4621 -5.4450 -5.4450 -4.4557 -4.4557 -4.4188 -4.4188 -3.9375 -3.9375 -3.9121 -3.9121 -3.5273 -3.5273 -3.4840 -3.4840 -2.3904 -2.3904 -2.2852 -2.2852 -1.0728 -1.0728 -0.8284 -0.8284 -0.6275 -0.6275 -0.4186 -0.4186 0.3275 0.3275 0.4842 0.4842 0.7766 0.7766 0.8100 0.8100 1.3007 1.3007 1.5168 1.5168 4.8211 4.8211 4.9138 4.9138 5.4845 5.4845 5.8430 5.8430 k = 0.4054 0.3427 0.2369 ( 9360 PWs) bands (ev): -12.8382 -12.8382 -12.8317 -12.8317 -9.8632 -9.8632 -9.8254 -9.8254 -5.8592 -5.8592 -5.8120 -5.8120 -5.4608 -5.4608 -5.4456 -5.4456 -4.4543 -4.4543 -4.4219 -4.4219 -3.9362 -3.9362 -3.9139 -3.9139 -3.5246 -3.5246 -3.4858 -3.4858 -2.3862 -2.3862 -2.2888 -2.2888 -1.0635 -1.0635 -0.8271 -0.8271 -0.6320 -0.6320 -0.4350 -0.4350 0.3421 0.3421 0.4801 0.4801 0.7614 0.7614 0.7923 0.7923 1.3146 1.3146 1.5056 1.5056 4.8246 4.8246 4.9137 4.9137 5.4561 5.4561 5.7805 5.7805 k = 0.4189 0.3427 0.2369 ( 9360 PWs) bands (ev): -12.8363 -12.8363 -12.8306 -12.8306 -9.8590 -9.8590 -9.8264 -9.8264 -5.8560 -5.8560 -5.8153 -5.8153 -5.4594 -5.4594 -5.4462 -5.4462 -4.4527 -4.4527 -4.4249 -4.4249 -3.9348 -3.9348 -3.9157 -3.9157 -3.5218 -3.5218 -3.4878 -3.4878 -2.3812 -2.3812 -2.2937 -2.2937 -1.0514 -1.0514 -0.8316 -0.8316 -0.6316 -0.6316 -0.4518 -0.4518 0.3567 0.3567 0.4760 0.4760 0.7479 0.7479 0.7760 0.7760 1.3287 1.3287 1.4939 1.4939 4.8288 4.8288 4.9115 4.9115 5.4357 5.4357 5.7223 5.7223 k = 0.4324 0.3427 0.2369 ( 9364 PWs) bands (ev): -12.8345 -12.8345 -12.8298 -12.8298 -9.8549 -9.8549 -9.8277 -9.8277 -5.8527 -5.8527 -5.8187 -5.8187 -5.4581 -5.4581 -5.4469 -5.4469 -4.4511 -4.4511 -4.4278 -4.4278 -3.9334 -3.9334 -3.9174 -3.9174 -3.5189 -3.5189 -3.4900 -3.4900 -2.3754 -2.3754 -2.2997 -2.2997 -1.0368 -1.0368 -0.8416 -0.8416 -0.6262 -0.6262 -0.4689 -0.4689 0.3713 0.3713 0.4715 0.4715 0.7363 0.7363 0.7611 0.7611 1.3431 1.3431 1.4817 1.4817 4.8336 4.8336 4.9074 4.9074 5.4234 5.4234 5.6686 5.6686 k = 0.4459 0.3427 0.2369 ( 9360 PWs) bands (ev): -12.8329 -12.8329 -12.8292 -12.8292 -9.8511 -9.8511 -9.8293 -9.8293 -5.8494 -5.8494 -5.8221 -5.8221 -5.4568 -5.4568 -5.4477 -5.4477 -4.4493 -4.4493 -4.4307 -4.4307 -3.9320 -3.9320 -3.9191 -3.9191 -3.5160 -3.5160 -3.4925 -3.4925 -2.3690 -2.3690 -2.3065 -2.3065 -1.0200 -1.0200 -0.8562 -0.8562 -0.6167 -0.6167 -0.4862 -0.4862 0.3855 0.3855 0.4663 0.4663 0.7269 0.7269 0.7478 0.7478 1.3575 1.3575 1.4691 1.4691 4.8392 4.8392 4.9015 4.9015 5.4190 5.4190 5.6194 5.6194 k = 0.4595 0.3427 0.2369 ( 9348 PWs) bands (ev): -12.8316 -12.8316 -12.8288 -12.8288 -9.8475 -9.8475 -9.8311 -9.8311 -5.8460 -5.8460 -5.8255 -5.8255 -5.4555 -5.4555 -5.4486 -5.4486 -4.4474 -4.4474 -4.4334 -4.4334 -3.9305 -3.9305 -3.9208 -3.9208 -3.5129 -3.5129 -3.4951 -3.4951 -2.3620 -2.3620 -2.3139 -2.3139 -1.0013 -1.0013 -0.8742 -0.8742 -0.6041 -0.6041 -0.5037 -0.5037 0.3993 0.3993 0.4604 0.4604 0.7201 0.7201 0.7364 0.7364 1.3720 1.3720 1.4561 1.4561 4.8455 4.8455 4.8942 4.8942 5.4221 5.4221 5.5751 5.5751 k = 0.4730 0.3427 0.2369 ( 9340 PWs) bands (ev): -12.8305 -12.8305 -12.8286 -12.8286 -9.8441 -9.8441 -9.8332 -9.8332 -5.8427 -5.8427 -5.8290 -5.8290 -5.4542 -5.4542 -5.4496 -5.4496 -4.4454 -4.4454 -4.4361 -4.4361 -3.9290 -3.9290 -3.9225 -3.9225 -3.5099 -3.5099 -3.4979 -3.4979 -2.3544 -2.3544 -2.3218 -2.3218 -0.9811 -0.9811 -0.8945 -0.8945 -0.5894 -0.5894 -0.5214 -0.5214 0.4123 0.4123 0.4533 0.4533 0.7159 0.7159 0.7272 0.7272 1.3865 1.3865 1.4427 1.4427 4.8526 4.8526 4.8860 4.8860 5.4324 5.4324 5.5356 5.5356 k = 0.4865 0.3427 0.2369 ( 9330 PWs) bands (ev): -12.8297 -12.8297 -12.8287 -12.8287 -9.8410 -9.8410 -9.8355 -9.8355 -5.8392 -5.8392 -5.8324 -5.8324 -5.4529 -5.4529 -5.4506 -5.4506 -4.4432 -4.4432 -4.4386 -4.4386 -3.9274 -3.9274 -3.9242 -3.9242 -3.5068 -3.5068 -3.5008 -3.5008 -2.3465 -2.3465 -2.3300 -2.3300 -0.9599 -0.9599 -0.9160 -0.9160 -0.5733 -0.5733 -0.5390 -0.5390 0.4244 0.4244 0.4449 0.4449 0.7146 0.7146 0.7203 0.7203 1.4009 1.4009 1.4290 1.4290 4.8604 4.8604 4.8774 4.8774 5.4494 5.4494 5.5013 5.5013 k = 0.5000 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8358 -5.8358 -5.8358 -5.8358 -5.4518 -5.4518 -5.4518 -5.4518 -4.4410 -4.4410 -4.4410 -4.4410 -3.9258 -3.9258 -3.9258 -3.9258 -3.5038 -3.5038 -3.5038 -3.5038 -2.3383 -2.3383 -2.3383 -2.3383 -0.9380 -0.9380 -0.9380 -0.9380 -0.5564 -0.5564 -0.5564 -0.5564 0.4353 0.4353 0.4353 0.4353 0.7161 0.7161 0.7161 0.7161 1.4150 1.4150 1.4150 1.4150 4.8687 4.8687 4.8687 4.8687 5.4725 5.4725 5.4725 5.4725 k = 0.5000 0.3427 0.2369 ( 9328 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8358 -5.8358 -5.8358 -5.8358 -5.4518 -5.4518 -5.4518 -5.4518 -4.4410 -4.4410 -4.4410 -4.4410 -3.9258 -3.9258 -3.9258 -3.9258 -3.5038 -3.5038 -3.5038 -3.5038 -2.3383 -2.3383 -2.3383 -2.3383 -0.9380 -0.9380 -0.9380 -0.9380 -0.5564 -0.5564 -0.5564 -0.5564 0.4353 0.4353 0.4353 0.4353 0.7161 0.7161 0.7161 0.7161 1.4150 1.4150 1.4150 1.4150 4.8687 4.8687 4.8687 4.8687 5.4725 5.4725 5.4725 5.4725 k = 0.5000 0.3482 0.2290 ( 9322 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8360 -5.8360 -5.8357 -5.8357 -5.4518 -5.4518 -5.4518 -5.4518 -4.4411 -4.4411 -4.4408 -4.4408 -3.9260 -3.9260 -3.9257 -3.9257 -3.5039 -3.5039 -3.5038 -3.5038 -2.3383 -2.3383 -2.3381 -2.3381 -0.9389 -0.9389 -0.9366 -0.9366 -0.5575 -0.5575 -0.5563 -0.5563 0.4347 0.4347 0.4356 0.4356 0.7149 0.7149 0.7187 0.7187 1.4142 1.4142 1.4149 1.4149 4.8655 4.8655 4.8702 4.8702 5.4702 5.4702 5.4769 5.4769 k = 0.5000 0.3482 0.2290 ( 9322 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8360 -5.8360 -5.8357 -5.8357 -5.4518 -5.4518 -5.4518 -5.4518 -4.4411 -4.4411 -4.4408 -4.4408 -3.9260 -3.9260 -3.9257 -3.9257 -3.5039 -3.5039 -3.5038 -3.5038 -2.3383 -2.3383 -2.3381 -2.3381 -0.9389 -0.9389 -0.9366 -0.9366 -0.5575 -0.5575 -0.5563 -0.5563 0.4347 0.4347 0.4356 0.4356 0.7149 0.7149 0.7187 0.7187 1.4142 1.4142 1.4149 1.4149 4.8655 4.8655 4.8702 4.8702 5.4702 5.4702 5.4769 5.4769 k = 0.5000 0.3479 0.2158 ( 9332 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8358 -5.8358 -5.8357 -5.8357 -5.4519 -5.4519 -5.4517 -5.4517 -4.4409 -4.4409 -4.4408 -4.4408 -3.9264 -3.9264 -3.9254 -3.9254 -3.5039 -3.5039 -3.5038 -3.5038 -2.3386 -2.3386 -2.3383 -2.3383 -0.9395 -0.9395 -0.9351 -0.9351 -0.5602 -0.5602 -0.5559 -0.5559 0.4324 0.4324 0.4386 0.4386 0.7148 0.7148 0.7236 0.7236 1.4117 1.4117 1.4134 1.4134 4.8615 4.8615 4.8707 4.8707 5.4702 5.4702 5.4826 5.4826 k = 0.5000 0.3476 0.2027 ( 9334 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8382 -9.8382 -9.8381 -9.8381 -5.8357 -5.8357 -5.8357 -5.8357 -5.4520 -5.4520 -5.4516 -5.4516 -4.4409 -4.4409 -4.4404 -4.4404 -3.9268 -3.9268 -3.9252 -3.9252 -3.5041 -3.5041 -3.5039 -3.5039 -2.3390 -2.3390 -2.3387 -2.3387 -0.9396 -0.9396 -0.9332 -0.9332 -0.5636 -0.5636 -0.5561 -0.5561 0.4300 0.4300 0.4412 0.4412 0.7168 0.7168 0.7303 0.7303 1.4076 1.4076 1.4103 1.4103 4.8569 4.8569 4.8702 4.8702 5.4725 5.4725 5.4902 5.4902 k = 0.5000 0.3473 0.1895 ( 9344 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8382 -9.8382 -9.8382 -9.8382 -5.8357 -5.8357 -5.8355 -5.8355 -5.4521 -5.4521 -5.4515 -5.4515 -4.4408 -4.4408 -4.4399 -4.4399 -3.9272 -3.9272 -3.9251 -3.9251 -3.5042 -3.5042 -3.5040 -3.5040 -2.3395 -2.3395 -2.3392 -2.3392 -0.9393 -0.9393 -0.9309 -0.9309 -0.5674 -0.5674 -0.5571 -0.5571 0.4278 0.4278 0.4433 0.4433 0.7209 0.7209 0.7386 0.7386 1.4020 1.4020 1.4057 1.4057 4.8518 4.8518 4.8687 4.8687 5.4771 5.4771 5.4994 5.4994 k = 0.5000 0.3470 0.1763 ( 9344 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8382 -9.8382 -9.8382 -9.8382 -5.8356 -5.8356 -5.8352 -5.8352 -5.4523 -5.4523 -5.4515 -5.4515 -4.4406 -4.4406 -4.4394 -4.4394 -3.9277 -3.9277 -3.9250 -3.9250 -3.5045 -3.5045 -3.5042 -3.5042 -2.3402 -2.3402 -2.3399 -2.3399 -0.9386 -0.9386 -0.9285 -0.9285 -0.5717 -0.5717 -0.5588 -0.5588 0.4258 0.4258 0.4449 0.4449 0.7270 0.7270 0.7482 0.7482 1.3950 1.3950 1.3997 1.3997 4.8464 4.8464 4.8662 4.8662 5.4839 5.4839 5.5101 5.5101 k = 0.5000 0.3467 0.1632 ( 9338 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8382 -9.8382 -9.8382 -9.8382 -5.8355 -5.8355 -5.8350 -5.8350 -5.4524 -5.4524 -5.4515 -5.4515 -4.4404 -4.4404 -4.4388 -4.4388 -3.9281 -3.9281 -3.9250 -3.9250 -3.5047 -3.5047 -3.5044 -3.5044 -2.3410 -2.3410 -2.3406 -2.3406 -0.9375 -0.9375 -0.9258 -0.9258 -0.5761 -0.5761 -0.5611 -0.5611 0.4240 0.4240 0.4459 0.4459 0.7350 0.7350 0.7589 0.7589 1.3867 1.3867 1.3923 1.3923 4.8408 4.8408 4.8629 4.8629 5.4927 5.4927 5.5219 5.5219 k = 0.5000 0.3464 0.1500 ( 9340 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8382 -9.8382 -9.8382 -9.8382 -5.8354 -5.8354 -5.8348 -5.8348 -5.4525 -5.4525 -5.4515 -5.4515 -4.4400 -4.4400 -4.4382 -4.4382 -3.9286 -3.9286 -3.9251 -3.9251 -3.5050 -3.5050 -3.5046 -3.5046 -2.3419 -2.3419 -2.3415 -2.3415 -0.9360 -0.9360 -0.9231 -0.9231 -0.5807 -0.5807 -0.5639 -0.5639 0.4226 0.4226 0.4463 0.4463 0.7445 0.7445 0.7705 0.7705 1.3774 1.3774 1.3839 1.3839 4.8352 4.8352 4.8587 4.8587 5.5032 5.5032 5.5345 5.5345 k = 0.5000 0.3461 0.1368 ( 9346 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8383 -9.8383 -9.8383 -9.8383 -5.8352 -5.8352 -5.8345 -5.8345 -5.4526 -5.4526 -5.4515 -5.4515 -4.4396 -4.4396 -4.4376 -4.4376 -3.9290 -3.9290 -3.9252 -3.9252 -3.5053 -3.5053 -3.5049 -3.5049 -2.3428 -2.3428 -2.3424 -2.3424 -0.9343 -0.9343 -0.9204 -0.9204 -0.5852 -0.5852 -0.5672 -0.5672 0.4215 0.4215 0.4463 0.4463 0.7554 0.7554 0.7827 0.7827 1.3673 1.3673 1.3745 1.3745 4.8296 4.8296 4.8539 4.8539 5.5152 5.5152 5.5477 5.5477 k = 0.5000 0.3458 0.1237 ( 9346 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8383 -9.8383 -9.8383 -9.8383 -5.8350 -5.8350 -5.8343 -5.8343 -5.4527 -5.4527 -5.4516 -5.4516 -4.4391 -4.4391 -4.4370 -4.4370 -3.9293 -3.9293 -3.9254 -3.9254 -3.5056 -3.5056 -3.5052 -3.5052 -2.3438 -2.3438 -2.3433 -2.3433 -0.9322 -0.9322 -0.9178 -0.9178 -0.5896 -0.5896 -0.5707 -0.5707 0.4208 0.4208 0.4459 0.4459 0.7672 0.7672 0.7951 0.7951 1.3565 1.3565 1.3644 1.3644 4.8242 4.8242 4.8486 4.8486 5.5283 5.5283 5.5610 5.5610 k = 0.5000 0.3454 0.1105 ( 9346 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8383 -9.8383 -9.8383 -9.8383 -5.8348 -5.8348 -5.8340 -5.8340 -5.4527 -5.4527 -5.4516 -5.4516 -4.4386 -4.4386 -4.4364 -4.4364 -3.9296 -3.9296 -3.9257 -3.9257 -3.5059 -3.5059 -3.5055 -3.5055 -2.3447 -2.3447 -2.3443 -2.3443 -0.9300 -0.9300 -0.9154 -0.9154 -0.5936 -0.5936 -0.5745 -0.5745 0.4205 0.4205 0.4451 0.4451 0.7797 0.7797 0.8076 0.8076 1.3454 1.3454 1.3538 1.3538 4.8191 4.8191 4.8429 4.8429 5.5421 5.5421 5.5742 5.5742 k = 0.5000 0.3451 0.0974 ( 9344 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8383 -9.8383 -9.8383 -9.8383 -5.8346 -5.8346 -5.8338 -5.8338 -5.4528 -5.4528 -5.4517 -5.4517 -4.4381 -4.4381 -4.4359 -4.4359 -3.9299 -3.9299 -3.9260 -3.9260 -3.5062 -3.5062 -3.5058 -3.5058 -2.3457 -2.3457 -2.3453 -2.3453 -0.9276 -0.9276 -0.9132 -0.9132 -0.5972 -0.5972 -0.5784 -0.5784 0.4205 0.4205 0.4440 0.4440 0.7926 0.7926 0.8197 0.8197 1.3344 1.3344 1.3430 1.3430 4.8145 4.8145 4.8370 4.8370 5.5562 5.5562 5.5869 5.5869 k = 0.5000 0.3448 0.0842 ( 9350 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8384 -9.8384 -9.8384 -9.8384 -5.8343 -5.8343 -5.8336 -5.8336 -5.4528 -5.4528 -5.4518 -5.4518 -4.4375 -4.4375 -4.4354 -4.4354 -3.9300 -3.9300 -3.9264 -3.9264 -3.5064 -3.5064 -3.5061 -3.5061 -2.3466 -2.3466 -2.3462 -2.3462 -0.9252 -0.9252 -0.9113 -0.9113 -0.6003 -0.6003 -0.5823 -0.5823 0.4209 0.4209 0.4427 0.4427 0.8055 0.8055 0.8311 0.8311 1.3236 1.3236 1.3323 1.3323 4.8103 4.8103 4.8310 4.8310 5.5702 5.5702 5.5987 5.5987 k = 0.5000 0.3445 0.0710 ( 9346 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8384 -9.8384 -9.8384 -9.8384 -5.8341 -5.8341 -5.8334 -5.8334 -5.4529 -5.4529 -5.4519 -5.4519 -4.4369 -4.4369 -4.4350 -4.4350 -3.9301 -3.9301 -3.9268 -3.9268 -3.5067 -3.5067 -3.5064 -3.5064 -2.3475 -2.3475 -2.3471 -2.3471 -0.9227 -0.9227 -0.9099 -0.9099 -0.6028 -0.6028 -0.5862 -0.5862 0.4216 0.4216 0.4412 0.4412 0.8180 0.8180 0.8416 0.8416 1.3134 1.3134 1.3219 1.3219 4.8067 4.8067 4.8253 4.8253 5.5837 5.5837 5.6094 5.6094 k = 0.5000 0.3442 0.0579 ( 9344 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8384 -9.8384 -9.8384 -9.8384 -5.8339 -5.8339 -5.8333 -5.8333 -5.4529 -5.4529 -5.4520 -5.4520 -4.4364 -4.4364 -4.4347 -4.4347 -3.9302 -3.9302 -3.9272 -3.9272 -3.5069 -3.5069 -3.5066 -3.5066 -2.3482 -2.3482 -2.3479 -2.3479 -0.9202 -0.9202 -0.9089 -0.9089 -0.6046 -0.6046 -0.5899 -0.5899 0.4226 0.4226 0.4396 0.4396 0.8299 0.8299 0.8508 0.8508 1.3042 1.3042 1.3121 1.3121 4.8038 4.8038 4.8198 4.8198 5.5964 5.5964 5.6186 5.6186 k = 0.5000 0.3439 0.0447 ( 9350 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8384 -9.8384 -9.8384 -9.8384 -5.8337 -5.8337 -5.8332 -5.8332 -5.4528 -5.4528 -5.4521 -5.4521 -4.4359 -4.4359 -4.4345 -4.4345 -3.9301 -3.9301 -3.9276 -3.9276 -3.5071 -3.5071 -3.5069 -3.5069 -2.3488 -2.3488 -2.3486 -2.3486 -0.9179 -0.9179 -0.9083 -0.9083 -0.6058 -0.6058 -0.5935 -0.5935 0.4238 0.4238 0.4379 0.4379 0.8407 0.8407 0.8583 0.8583 1.2964 1.2964 1.3033 1.3033 4.8016 4.8016 4.8148 4.8148 5.6077 5.6077 5.6261 5.6261 k = 0.5000 0.3436 0.0315 ( 9348 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8384 -9.8384 -9.8384 -9.8384 -5.8335 -5.8335 -5.8331 -5.8331 -5.4528 -5.4528 -5.4523 -5.4523 -4.4354 -4.4354 -4.4343 -4.4343 -3.9300 -3.9300 -3.9281 -3.9281 -3.5072 -3.5072 -3.5071 -3.5071 -2.3493 -2.3493 -2.3491 -2.3491 -0.9157 -0.9157 -0.9082 -0.9082 -0.6063 -0.6063 -0.5967 -0.5967 0.4253 0.4253 0.4360 0.4360 0.8501 0.8501 0.8639 0.8639 1.2902 1.2902 1.2958 1.2958 4.8003 4.8003 4.8103 4.8103 5.6175 5.6175 5.6316 5.6316 k = 0.5000 0.3433 0.0184 ( 9350 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8385 -9.8385 -9.8385 -9.8385 -5.8334 -5.8334 -5.8331 -5.8331 -5.4527 -5.4527 -5.4524 -5.4524 -4.4350 -4.4350 -4.4343 -4.4343 -3.9298 -3.9298 -3.9285 -3.9285 -3.5073 -3.5073 -3.5072 -3.5072 -2.3497 -2.3497 -2.3496 -2.3496 -0.9136 -0.9136 -0.9085 -0.9085 -0.6061 -0.6061 -0.5995 -0.5995 0.4269 0.4269 0.4342 0.4342 0.8579 0.8579 0.8674 0.8674 1.2858 1.2858 1.2898 1.2898 4.7998 4.7998 4.8066 4.8066 5.6254 5.6254 5.6349 5.6349 k = 0.5000 0.3430 0.0052 ( 9350 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8385 -9.8385 -9.8385 -9.8385 -5.8332 -5.8332 -5.8331 -5.8331 -5.4527 -5.4527 -5.4525 -5.4525 -4.4347 -4.4347 -4.4343 -4.4343 -3.9296 -3.9296 -3.9289 -3.9289 -3.5074 -3.5074 -3.5073 -3.5073 -2.3499 -2.3499 -2.3498 -2.3498 -0.9119 -0.9119 -0.9092 -0.9092 -0.6053 -0.6053 -0.6020 -0.6020 0.4286 0.4286 0.4323 0.4323 0.8637 0.8637 0.8685 0.8685 1.2836 1.2836 1.2857 1.2857 4.8001 4.8001 4.8036 4.8036 5.6312 5.6312 5.6360 5.6360 k = 0.5000 0.3427-0.0080 ( 9364 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8385 -9.8385 -9.8385 -9.8385 -5.8331 -5.8331 -5.8331 -5.8331 -5.4526 -5.4526 -5.4526 -5.4526 -4.4345 -4.4345 -4.4345 -4.4345 -3.9293 -3.9293 -3.9293 -3.9293 -3.5074 -3.5074 -3.5074 -3.5074 -2.3500 -2.3500 -2.3500 -2.3500 -0.9104 -0.9104 -0.9104 -0.9104 -0.6039 -0.6039 -0.6039 -0.6039 0.4304 0.4304 0.4304 0.4304 0.8673 0.8673 0.8673 0.8673 1.2836 1.2836 1.2836 1.2836 4.8014 4.8014 4.8014 4.8014 5.6347 5.6347 5.6347 5.6347 k = 0.5000 0.3427-0.0080 ( 9364 PWs) bands (ev): -12.8290 -12.8290 -12.8290 -12.8290 -9.8385 -9.8385 -9.8385 -9.8385 -5.8331 -5.8331 -5.8331 -5.8331 -5.4526 -5.4526 -5.4526 -5.4526 -4.4345 -4.4345 -4.4345 -4.4345 -3.9293 -3.9293 -3.9293 -3.9293 -3.5074 -3.5074 -3.5074 -3.5074 -2.3500 -2.3500 -2.3500 -2.3500 -0.9104 -0.9104 -0.9104 -0.9104 -0.6039 -0.6039 -0.6039 -0.6039 0.4304 0.4304 0.4304 0.4304 0.8673 0.8673 0.8673 0.8673 1.2836 1.2836 1.2836 1.2836 4.8014 4.8014 4.8014 4.8014 5.6347 5.6347 5.6347 5.6347 k = 0.4865 0.3427-0.0080 ( 9364 PWs) bands (ev): -12.8296 -12.8296 -12.8287 -12.8287 -9.8433 -9.8433 -9.8339 -9.8339 -5.8344 -5.8344 -5.8319 -5.8319 -5.4538 -5.4538 -5.4514 -5.4514 -4.4355 -4.4355 -4.4333 -4.4333 -3.9312 -3.9312 -3.9273 -3.9273 -3.5106 -3.5106 -3.5042 -3.5042 -2.3576 -2.3576 -2.3421 -2.3421 -0.9206 -0.9206 -0.9008 -0.9008 -0.6185 -0.6185 -0.5884 -0.5884 0.4171 0.4171 0.4434 0.4434 0.8598 0.8598 0.8762 0.8762 1.2815 1.2815 1.2862 1.2862 4.7922 4.7922 4.8095 4.8095 5.6258 5.6258 5.6512 5.6512 k = 0.4730 0.3427-0.0080 ( 9372 PWs) bands (ev): -12.8305 -12.8305 -12.8286 -12.8286 -9.8483 -9.8483 -9.8296 -9.8296 -5.8357 -5.8357 -5.8307 -5.8307 -5.4551 -5.4551 -5.4503 -5.4503 -4.4366 -4.4366 -4.4322 -4.4322 -3.9330 -3.9330 -3.9254 -3.9254 -3.5138 -3.5138 -3.5010 -3.5010 -2.3647 -2.3647 -2.3341 -2.3341 -0.9313 -0.9313 -0.8920 -0.8920 -0.6319 -0.6319 -0.5723 -0.5723 0.4035 0.4035 0.4560 0.4560 0.8539 0.8539 0.8867 0.8867 1.2801 1.2801 1.2893 1.2893 4.7820 4.7820 4.8164 4.8164 5.6242 5.6242 5.6749 5.6749 k = 0.4595 0.3427-0.0080 ( 9360 PWs) bands (ev): -12.8316 -12.8316 -12.8287 -12.8287 -9.8536 -9.8536 -9.8255 -9.8255 -5.8370 -5.8370 -5.8294 -5.8294 -5.4564 -5.4564 -5.4493 -5.4493 -4.4375 -4.4375 -4.4310 -4.4310 -3.9348 -3.9348 -3.9234 -3.9234 -3.5170 -3.5170 -3.4980 -3.4980 -2.3714 -2.3714 -2.3263 -2.3263 -0.9424 -0.9424 -0.8839 -0.8839 -0.6440 -0.6440 -0.5558 -0.5558 0.3898 0.3898 0.4681 0.4681 0.8496 0.8496 0.8986 0.8986 1.2794 1.2794 1.2927 1.2927 4.7709 4.7709 4.8223 4.8223 5.6299 5.6299 5.7058 5.7058 k = 0.4459 0.3427-0.0080 ( 9358 PWs) bands (ev): -12.8329 -12.8329 -12.8291 -12.8291 -9.8591 -9.8591 -9.8218 -9.8218 -5.8383 -5.8383 -5.8283 -5.8283 -5.4578 -5.4578 -5.4483 -5.4483 -4.4384 -4.4384 -4.4297 -4.4297 -3.9366 -3.9366 -3.9214 -3.9214 -3.5201 -3.5201 -3.4951 -3.4951 -2.3773 -2.3773 -2.3188 -2.3188 -0.9535 -0.9535 -0.8767 -0.8767 -0.6546 -0.6546 -0.5392 -0.5392 0.3759 0.3759 0.4795 0.4795 0.8469 0.8469 0.9120 0.9120 1.2795 1.2795 1.2965 1.2965 4.7590 4.7590 4.8274 4.8274 5.6427 5.6427 5.7435 5.7435 k = 0.4324 0.3427-0.0080 ( 9346 PWs) bands (ev): -12.8344 -12.8344 -12.8297 -12.8297 -9.8648 -9.8648 -9.8183 -9.8183 -5.8397 -5.8397 -5.8271 -5.8271 -5.4591 -5.4591 -5.4474 -5.4474 -4.4392 -4.4392 -4.4285 -4.4285 -3.9382 -3.9382 -3.9193 -3.9193 -3.5231 -3.5231 -3.4923 -3.4923 -2.3824 -2.3824 -2.3117 -2.3117 -0.9643 -0.9643 -0.8703 -0.8703 -0.6636 -0.6636 -0.5228 -0.5228 0.3620 0.3620 0.4903 0.4903 0.8458 0.8458 0.9269 0.9269 1.2804 1.2804 1.3004 1.3004 4.7466 4.7466 4.8320 4.8320 5.6623 5.6623 5.7877 5.7877 k = 0.4189 0.3427-0.0080 ( 9344 PWs) bands (ev): -12.8362 -12.8362 -12.8306 -12.8306 -9.8706 -9.8706 -9.8150 -9.8150 -5.8410 -5.8410 -5.8260 -5.8260 -5.4605 -5.4605 -5.4467 -5.4467 -4.4400 -4.4400 -4.4273 -4.4273 -3.9398 -3.9398 -3.9173 -3.9173 -3.5260 -3.5260 -3.4898 -3.4898 -2.3866 -2.3866 -2.3054 -2.3054 -0.9746 -0.9746 -0.8647 -0.8647 -0.6710 -0.6710 -0.5069 -0.5069 0.3482 0.3482 0.5003 0.5003 0.8465 0.8465 0.9432 0.9432 1.2822 1.2822 1.3045 1.3045 4.7338 4.7338 4.8362 4.8362 5.6882 5.6882 5.8382 5.8382 k = 0.4054 0.3427-0.0080 ( 9338 PWs) bands (ev): -12.8382 -12.8382 -12.8317 -12.8317 -9.8766 -9.8766 -9.8121 -9.8121 -5.8423 -5.8423 -5.8249 -5.8249 -5.4619 -5.4619 -5.4460 -5.4460 -4.4406 -4.4406 -4.4260 -4.4260 -3.9413 -3.9413 -3.9153 -3.9153 -3.5289 -3.5289 -3.4875 -3.4875 -2.3899 -2.3899 -2.3000 -2.3000 -0.9841 -0.9841 -0.8599 -0.8599 -0.6766 -0.6766 -0.4917 -0.4917 0.3344 0.3344 0.5093 0.5093 0.8488 0.8488 0.9609 0.9609 1.2848 1.2848 1.3087 1.3087 4.7208 4.7208 4.8405 4.8405 5.7200 5.7200 5.8946 5.8946 k = 0.3919 0.3427-0.0080 ( 9342 PWs) bands (ev): -12.8404 -12.8404 -12.8330 -12.8330 -9.8828 -9.8828 -9.8094 -9.8094 -5.8436 -5.8436 -5.8239 -5.8239 -5.4633 -5.4633 -5.4454 -5.4454 -4.4412 -4.4412 -4.4248 -4.4248 -3.9427 -3.9427 -3.9132 -3.9132 -3.5315 -3.5315 -3.4856 -3.4856 -2.3922 -2.3922 -2.2957 -2.2957 -0.9923 -0.9923 -0.8559 -0.8559 -0.6806 -0.6806 -0.4772 -0.4772 0.3208 0.3208 0.5173 0.5173 0.8528 0.8528 0.9801 0.9801 1.2882 1.2882 1.3129 1.3129 4.7078 4.7078 4.8451 4.8451 5.7572 5.7572 5.9565 5.9565 k = 0.3784 0.3427-0.0080 ( 9346 PWs) bands (ev): -12.8428 -12.8428 -12.8345 -12.8345 -9.8890 -9.8890 -9.8070 -9.8070 -5.8450 -5.8450 -5.8229 -5.8229 -5.4647 -5.4647 -5.4450 -5.4450 -4.4417 -4.4417 -4.4236 -4.4236 -3.9441 -3.9441 -3.9112 -3.9112 -3.5341 -3.5341 -3.4839 -3.4839 -2.3935 -2.3935 -2.2925 -2.2925 -0.9992 -0.9992 -0.8527 -0.8527 -0.6827 -0.6827 -0.4637 -0.4637 0.3074 0.3074 0.5242 0.5242 0.8584 0.8584 1.0008 1.0008 1.2924 1.2924 1.3172 1.3172 4.6948 4.6948 4.8502 4.8502 5.7995 5.7995 6.0236 6.0236 k = 0.3649 0.3427-0.0080 ( 9346 PWs) bands (ev): -12.8453 -12.8453 -12.8361 -12.8361 -9.8954 -9.8954 -9.8049 -9.8049 -5.8463 -5.8463 -5.8220 -5.8220 -5.4661 -5.4661 -5.4446 -5.4446 -4.4422 -4.4422 -4.4225 -4.4225 -3.9453 -3.9453 -3.9092 -3.9092 -3.5365 -3.5365 -3.4826 -3.4826 -2.3939 -2.3939 -2.2906 -2.2906 -1.0044 -1.0044 -0.8504 -0.8504 -0.6829 -0.6829 -0.4512 -0.4512 0.2943 0.2943 0.5299 0.5299 0.8657 0.8657 1.0228 1.0228 1.2973 1.2973 1.3215 1.3215 4.6820 4.6820 4.8561 4.8561 5.8463 5.8463 6.0956 6.0956 k = 0.3514 0.3427-0.0080 ( 9344 PWs) bands (ev): -12.8480 -12.8480 -12.8380 -12.8380 -9.9018 -9.9018 -9.8030 -9.8030 -5.8476 -5.8476 -5.8211 -5.8211 -5.4674 -5.4674 -5.4444 -5.4444 -4.4425 -4.4425 -4.4214 -4.4214 -3.9464 -3.9464 -3.9072 -3.9072 -3.5387 -3.5387 -3.4817 -3.4817 -2.3932 -2.3932 -2.2901 -2.2901 -1.0080 -1.0080 -0.8490 -0.8490 -0.6812 -0.6812 -0.4398 -0.4398 0.2816 0.2816 0.5343 0.5343 0.8745 0.8745 1.0462 1.0462 1.3027 1.3027 1.3260 1.3260 4.6693 4.6693 4.8627 4.8627 5.8972 5.8972 6.1719 6.1719 k = 0.3378 0.3427-0.0080 ( 9340 PWs) bands (ev): -12.8508 -12.8508 -12.8399 -12.8399 -9.9082 -9.9082 -9.8013 -9.8013 -5.8489 -5.8489 -5.8203 -5.8203 -5.4687 -5.4687 -5.4443 -5.4443 -4.4428 -4.4428 -4.4203 -4.4203 -3.9475 -3.9475 -3.9053 -3.9053 -3.5408 -3.5408 -3.4811 -3.4811 -2.3917 -2.3917 -2.2910 -2.2910 -1.0099 -1.0099 -0.8484 -0.8484 -0.6774 -0.6774 -0.4294 -0.4294 0.2693 0.2693 0.5373 0.5373 0.8849 0.8849 1.0708 1.0708 1.3083 1.3083 1.3310 1.3310 4.6570 4.6570 4.8703 4.8703 5.9518 5.9518 6.2522 6.2522 k = 0.3243 0.3427-0.0080 ( 9348 PWs) bands (ev): -12.8538 -12.8538 -12.8421 -12.8421 -9.9147 -9.9147 -9.7999 -9.7999 -5.8502 -5.8502 -5.8196 -5.8196 -5.4700 -5.4700 -5.4443 -5.4443 -4.4430 -4.4430 -4.4193 -4.4193 -3.9484 -3.9484 -3.9033 -3.9033 -3.5427 -3.5427 -3.4810 -3.4810 -2.3895 -2.3895 -2.2930 -2.2930 -1.0103 -1.0103 -0.8487 -0.8487 -0.6713 -0.6713 -0.4200 -0.4200 0.2575 0.2575 0.5388 0.5388 0.8968 0.8968 1.0965 1.0965 1.3138 1.3138 1.3367 1.3367 4.6449 4.6449 4.8788 4.8788 6.0095 6.0095 6.3359 6.3359 k = 0.3108 0.3427-0.0080 ( 9346 PWs) bands (ev): -12.8568 -12.8568 -12.8443 -12.8443 -9.9212 -9.9212 -9.7987 -9.7987 -5.8515 -5.8515 -5.8188 -5.8188 -5.4712 -5.4712 -5.4444 -5.4444 -4.4431 -4.4431 -4.4183 -4.4183 -3.9492 -3.9492 -3.9014 -3.9014 -3.5445 -3.5445 -3.4812 -3.4812 -2.3867 -2.3867 -2.2961 -2.2961 -1.0092 -1.0092 -0.8498 -0.8498 -0.6628 -0.6628 -0.4116 -0.4116 0.2462 0.2462 0.5390 0.5390 0.9100 0.9100 1.1231 1.1231 1.3187 1.3187 1.3435 1.3435 4.6332 4.6332 4.8880 4.8880 6.0698 6.0698 6.4225 6.4225 k = 0.2973 0.3427-0.0080 ( 9342 PWs) bands (ev): -12.8599 -12.8599 -12.8467 -12.8467 -9.9276 -9.9276 -9.7977 -9.7977 -5.8527 -5.8527 -5.8182 -5.8182 -5.4724 -5.4724 -5.4446 -5.4446 -4.4432 -4.4432 -4.4174 -4.4174 -3.9500 -3.9500 -3.8996 -3.8996 -3.5461 -3.5461 -3.4818 -3.4818 -2.3835 -2.3835 -2.3000 -2.3000 -1.0069 -1.0069 -0.8518 -0.8518 -0.6519 -0.6519 -0.4040 -0.4040 0.2356 0.2356 0.5376 0.5376 0.9246 0.9246 1.1503 1.1503 1.3230 1.3230 1.3517 1.3517 4.6219 4.6219 4.8981 4.8981 6.1319 6.1319 6.5111 6.5111 k = 0.2838 0.3427-0.0080 ( 9344 PWs) bands (ev): -12.8631 -12.8631 -12.8491 -12.8491 -9.9340 -9.9340 -9.7970 -9.7970 -5.8540 -5.8540 -5.8176 -5.8176 -5.4736 -5.4736 -5.4449 -5.4449 -4.4432 -4.4432 -4.4166 -4.4166 -3.9507 -3.9507 -3.8977 -3.8977 -3.5476 -3.5476 -3.4828 -3.4828 -2.3805 -2.3805 -2.3043 -2.3043 -1.0038 -1.0038 -0.8545 -0.8545 -0.6383 -0.6383 -0.3972 -0.3972 0.2256 0.2256 0.5348 0.5348 0.9403 0.9403 1.1776 1.1776 1.3265 1.3265 1.3615 1.3615 4.6109 4.6109 4.9088 4.9088 6.1948 6.1948 6.6006 6.6006 k = 0.2703 0.3427-0.0080 ( 9344 PWs) bands (ev): -12.8663 -12.8663 -12.8516 -12.8516 -9.9402 -9.9402 -9.7964 -9.7964 -5.8552 -5.8552 -5.8170 -5.8170 -5.4747 -5.4747 -5.4453 -5.4453 -4.4432 -4.4432 -4.4158 -4.4158 -3.9512 -3.9512 -3.8960 -3.8960 -3.5489 -3.5489 -3.4842 -3.4842 -2.3781 -2.3781 -2.3082 -2.3082 -1.0001 -1.0001 -0.8579 -0.8579 -0.6221 -0.6221 -0.3910 -0.3910 0.2163 0.2163 0.5305 0.5305 0.9571 0.9571 1.2046 1.2046 1.3296 1.3296 1.3729 1.3729 4.6004 4.6004 4.9201 4.9201 6.2573 6.2573 6.6894 6.6894 k = 0.2568 0.3427-0.0080 ( 9338 PWs) bands (ev): -12.8696 -12.8696 -12.8541 -12.8541 -9.9464 -9.9464 -9.7959 -9.7959 -5.8564 -5.8564 -5.8166 -5.8166 -5.4757 -5.4757 -5.4458 -5.4458 -4.4431 -4.4431 -4.4151 -4.4151 -3.9517 -3.9517 -3.8942 -3.8942 -3.5500 -3.5500 -3.4859 -3.4859 -2.3770 -2.3770 -2.3111 -2.3111 -0.9960 -0.9960 -0.8620 -0.8620 -0.6031 -0.6031 -0.3852 -0.3852 0.2076 0.2076 0.5247 0.5247 0.9748 0.9748 1.2306 1.2306 1.3324 1.3324 1.3861 1.3861 4.5902 4.5902 4.9317 4.9317 6.3177 6.3177 6.7740 6.7740 k = 0.2432 0.3427-0.0080 ( 9346 PWs) bands (ev): -12.8728 -12.8728 -12.8566 -12.8566 -9.9524 -9.9524 -9.7957 -9.7957 -5.8575 -5.8575 -5.8161 -5.8161 -5.4767 -5.4767 -5.4464 -5.4464 -4.4430 -4.4430 -4.4144 -4.4144 -3.9521 -3.9521 -3.8925 -3.8925 -3.5510 -3.5510 -3.4879 -3.4879 -2.3781 -2.3781 -2.3120 -2.3120 -0.9920 -0.9920 -0.8667 -0.8667 -0.5817 -0.5817 -0.3798 -0.3798 0.1997 0.1997 0.5176 0.5176 0.9933 0.9933 1.2546 1.2546 1.3353 1.3353 1.4016 1.4016 4.5804 4.5804 4.9436 4.9436 6.3735 6.3735 6.8468 6.8468 k = 0.2297 0.3427-0.0080 ( 9348 PWs) bands (ev): -12.8760 -12.8760 -12.8592 -12.8592 -9.9583 -9.9583 -9.7955 -9.7955 -5.8587 -5.8587 -5.8157 -5.8157 -5.4776 -5.4776 -5.4470 -5.4470 -4.4429 -4.4429 -4.4139 -4.4139 -3.9525 -3.9525 -3.8909 -3.8909 -3.5519 -3.5519 -3.4902 -3.4902 -2.3816 -2.3816 -2.3106 -2.3106 -0.9880 -0.9880 -0.8718 -0.8718 -0.5578 -0.5578 -0.3745 -0.3745 0.1924 0.1924 0.5090 0.5090 1.0123 1.0123 1.2756 1.2756 1.3385 1.3385 1.4196 1.4196 4.5710 4.5710 4.9556 4.9556 6.4216 6.4216 6.8903 6.8903 k = 0.2162 0.3427-0.0080 ( 9350 PWs) bands (ev): -12.8791 -12.8791 -12.8617 -12.8617 -9.9640 -9.9640 -9.7955 -9.7955 -5.8597 -5.8597 -5.8154 -5.8154 -5.4785 -5.4785 -5.4478 -5.4478 -4.4427 -4.4427 -4.4134 -4.4134 -3.9528 -3.9528 -3.8894 -3.8894 -3.5525 -3.5525 -3.4927 -3.4927 -2.3873 -2.3873 -2.3071 -2.3071 -0.9844 -0.9844 -0.8773 -0.8773 -0.5320 -0.5320 -0.3690 -0.3690 0.1859 0.1859 0.4990 0.4990 1.0318 1.0318 1.2926 1.2926 1.3427 1.3427 1.4405 1.4405 4.5620 4.5620 4.9675 4.9675 6.4584 6.4584 6.8969 6.8969 k = 0.2027 0.3427-0.0080 ( 9352 PWs) bands (ev): -12.8822 -12.8822 -12.8642 -12.8642 -9.9694 -9.9694 -9.7956 -9.7956 -5.8608 -5.8608 -5.8151 -5.8151 -5.4793 -5.4793 -5.4485 -5.4485 -4.4426 -4.4426 -4.4129 -4.4129 -3.9530 -3.9530 -3.8879 -3.8879 -3.5530 -3.5530 -3.4954 -3.4954 -2.3946 -2.3946 -2.3020 -2.3020 -0.9811 -0.9811 -0.8832 -0.8832 -0.5048 -0.5048 -0.3629 -0.3629 0.1799 0.1799 0.4878 0.4878 1.0515 1.0515 1.3051 1.3051 1.3482 1.3482 1.4640 1.4640 4.5534 4.5534 4.9792 4.9792 6.4804 6.4804 6.8884 6.8884 k = 0.1892 0.3427-0.0080 ( 9356 PWs) bands (ev): -12.8852 -12.8852 -12.8666 -12.8666 -9.9747 -9.9747 -9.7957 -9.7957 -5.8618 -5.8618 -5.8149 -5.8149 -5.4800 -5.4800 -5.4493 -5.4493 -4.4424 -4.4424 -4.4125 -4.4125 -3.9532 -3.9532 -3.8865 -3.8865 -3.5533 -3.5533 -3.4984 -3.4984 -2.4028 -2.4028 -2.2958 -2.2958 -0.9782 -0.9782 -0.8892 -0.8892 -0.4772 -0.4772 -0.3554 -0.3554 0.1746 0.1746 0.4752 0.4752 1.0711 1.0711 1.3134 1.3134 1.3550 1.3550 1.4898 1.4898 4.5453 4.5453 4.9906 4.9906 6.4860 6.4860 6.8794 6.8794 k = 0.1757 0.3427-0.0080 ( 9368 PWs) bands (ev): -12.8880 -12.8880 -12.8689 -12.8689 -9.9796 -9.9796 -9.7960 -9.7960 -5.8628 -5.8628 -5.8146 -5.8146 -5.4806 -5.4806 -5.4502 -5.4502 -4.4422 -4.4422 -4.4122 -4.4122 -3.9533 -3.9533 -3.8852 -3.8852 -3.5535 -3.5535 -3.5014 -3.5014 -2.4116 -2.4116 -2.2890 -2.2890 -0.9757 -0.9757 -0.8954 -0.8954 -0.4508 -0.4508 -0.3452 -0.3452 0.1699 0.1699 0.4615 0.4615 1.0906 1.0906 1.3186 1.3186 1.3623 1.3623 1.5169 1.5169 4.5376 4.5376 5.0015 5.0015 6.4765 6.4765 6.8727 6.8727 k = 0.1622 0.3427-0.0080 ( 9356 PWs) bands (ev): -12.8908 -12.8908 -12.8712 -12.8712 -9.9843 -9.9843 -9.7962 -9.7962 -5.8637 -5.8637 -5.8145 -5.8145 -5.4812 -5.4812 -5.4510 -5.4510 -4.4420 -4.4420 -4.4119 -4.4119 -3.9534 -3.9534 -3.8839 -3.8839 -3.5535 -3.5535 -3.5045 -3.5045 -2.4205 -2.4205 -2.2820 -2.2820 -0.9736 -0.9736 -0.9016 -0.9016 -0.4277 -0.4277 -0.3304 -0.3304 0.1656 0.1656 0.4466 0.4466 1.1095 1.1095 1.3220 1.3220 1.3696 1.3696 1.5448 1.5448 4.5304 4.5304 5.0119 5.0119 6.4554 6.4554 6.8672 6.8672 k = 0.1486 0.3427-0.0080 ( 9352 PWs) bands (ev): -12.8933 -12.8933 -12.8733 -12.8733 -9.9887 -9.9887 -9.7966 -9.7966 -5.8645 -5.8645 -5.8143 -5.8143 -5.4818 -5.4818 -5.4519 -5.4519 -4.4418 -4.4418 -4.4116 -4.4116 -3.9535 -3.9535 -3.8828 -3.8828 -3.5533 -3.5533 -3.5077 -3.5077 -2.4292 -2.4292 -2.2749 -2.2749 -0.9719 -0.9719 -0.9078 -0.9078 -0.4100 -0.4100 -0.3094 -0.3094 0.1616 0.1616 0.4306 0.4306 1.1277 1.1277 1.3245 1.3245 1.3762 1.3762 1.5726 1.5726 4.5237 4.5237 5.0217 5.0217 6.4270 6.4270 6.8609 6.8609 k = 0.1351 0.3427-0.0080 ( 9342 PWs) bands (ev): -12.8958 -12.8958 -12.8753 -12.8753 -9.9928 -9.9928 -9.7969 -9.7969 -5.8653 -5.8653 -5.8142 -5.8142 -5.4822 -5.4822 -5.4527 -5.4527 -4.4416 -4.4416 -4.4115 -4.4115 -3.9535 -3.9535 -3.8817 -3.8817 -3.5529 -3.5529 -3.5110 -3.5110 -2.4376 -2.4376 -2.2680 -2.2680 -0.9704 -0.9704 -0.9138 -0.9138 -0.3978 -0.3978 -0.2821 -0.2821 0.1579 0.1579 0.4137 0.4137 1.1449 1.1449 1.3266 1.3266 1.3821 1.3821 1.5998 1.5998 4.5174 4.5174 5.0308 5.0308 6.3945 6.3945 6.8532 6.8532 k = 0.1216 0.3427-0.0080 ( 9344 PWs) bands (ev): -12.8980 -12.8980 -12.8772 -12.8772 -9.9965 -9.9965 -9.7973 -9.7973 -5.8661 -5.8661 -5.8141 -5.8141 -5.4827 -5.4827 -5.4535 -5.4535 -4.4415 -4.4415 -4.4113 -4.4113 -3.9535 -3.9535 -3.8808 -3.8808 -3.5524 -3.5524 -3.5142 -3.5142 -2.4455 -2.4455 -2.2615 -2.2615 -0.9691 -0.9691 -0.9197 -0.9197 -0.3897 -0.3897 -0.2505 -0.2505 0.1543 0.1543 0.3960 0.3960 1.1608 1.1608 1.3286 1.3286 1.3873 1.3873 1.6259 1.6259 4.5117 4.5117 5.0391 5.0391 6.3606 6.3606 6.8439 6.8439 k = 0.1081 0.3427-0.0080 ( 9348 PWs) bands (ev): -12.9001 -12.9001 -12.8789 -12.8789 -9.9999 -9.9999 -9.7976 -9.7976 -5.8667 -5.8667 -5.8140 -5.8140 -5.4830 -5.4830 -5.4543 -5.4543 -4.4413 -4.4413 -4.4112 -4.4112 -3.9535 -3.9535 -3.8799 -3.8799 -3.5516 -3.5516 -3.5174 -3.5174 -2.4528 -2.4528 -2.2553 -2.2553 -0.9680 -0.9680 -0.9253 -0.9253 -0.3843 -0.3843 -0.2163 -0.2163 0.1505 0.1505 0.3776 0.3776 1.1753 1.1753 1.3306 1.3306 1.3918 1.3918 1.6505 1.6505 4.5065 4.5065 5.0467 5.0467 6.3269 6.3269 6.8335 6.8335 k = 0.0946 0.3427-0.0080 ( 9338 PWs) bands (ev): -12.9019 -12.9019 -12.8804 -12.8804 -10.0030 -10.0030 -9.7980 -9.7980 -5.8673 -5.8673 -5.8140 -5.8140 -5.4833 -5.4833 -5.4551 -5.4551 -4.4411 -4.4411 -4.4111 -4.4111 -3.9535 -3.9535 -3.8792 -3.8792 -3.5507 -3.5507 -3.5205 -3.5205 -2.4595 -2.4595 -2.2497 -2.2497 -0.9670 -0.9670 -0.9305 -0.9305 -0.3804 -0.3804 -0.1810 -0.1810 0.1464 0.1464 0.3590 0.3590 1.1882 1.1882 1.3328 1.3328 1.3955 1.3955 1.6731 1.6731 4.5018 4.5018 5.0534 5.0534 6.2950 6.2950 6.8226 6.8226 k = 0.0811 0.3427-0.0080 ( 9330 PWs) bands (ev): -12.9035 -12.9035 -12.8818 -12.8818 -10.0056 -10.0056 -9.7983 -9.7983 -5.8678 -5.8678 -5.8139 -5.8139 -5.4835 -5.4835 -5.4557 -5.4557 -4.4410 -4.4410 -4.4110 -4.4110 -3.9535 -3.9535 -3.8785 -3.8785 -3.5497 -3.5497 -3.5236 -3.5236 -2.4653 -2.4653 -2.2447 -2.2447 -0.9661 -0.9661 -0.9354 -0.9354 -0.3776 -0.3776 -0.1454 -0.1454 0.1414 0.1414 0.3405 0.3405 1.1993 1.1993 1.3351 1.3351 1.3986 1.3986 1.6934 1.6934 4.4977 4.4977 5.0592 5.0592 6.2656 6.2656 6.8118 6.8118 k = 0.0676 0.3427-0.0080 ( 9332 PWs) bands (ev): -12.9049 -12.9049 -12.8829 -12.8829 -10.0079 -10.0079 -9.7986 -9.7986 -5.8683 -5.8683 -5.8139 -5.8139 -5.4838 -5.4838 -5.4563 -5.4563 -4.4409 -4.4409 -4.4109 -4.4109 -3.9535 -3.9535 -3.8780 -3.8780 -3.5484 -3.5484 -3.5266 -3.5266 -2.4704 -2.4704 -2.2403 -2.2403 -0.9651 -0.9651 -0.9399 -0.9399 -0.3754 -0.3754 -0.1104 -0.1104 0.1351 0.1351 0.3227 0.3227 1.2085 1.2085 1.3375 1.3375 1.4012 1.4012 1.7111 1.7111 4.4942 4.4942 5.0641 5.0641 6.2397 6.2397 6.8016 6.8016 k = 0.0541 0.3427-0.0080 ( 9326 PWs) bands (ev): -12.9060 -12.9060 -12.8839 -12.8839 -10.0097 -10.0097 -9.7988 -9.7988 -5.8687 -5.8687 -5.8139 -5.8139 -5.4839 -5.4839 -5.4568 -5.4568 -4.4408 -4.4408 -4.4109 -4.4109 -3.9535 -3.9535 -3.8775 -3.8775 -3.5470 -3.5470 -3.5294 -3.5294 -2.4746 -2.4746 -2.2367 -2.2367 -0.9640 -0.9640 -0.9439 -0.9439 -0.3738 -0.3738 -0.0765 -0.0765 0.1272 0.1272 0.3064 0.3064 1.2159 1.2159 1.3399 1.3399 1.4032 1.4032 1.7259 1.7259 4.4914 4.4914 5.0682 5.0682 6.2178 6.2178 6.7926 6.7926 k = 0.0405 0.3427-0.0080 ( 9322 PWs) bands (ev): -12.9069 -12.9069 -12.8847 -12.8847 -10.0112 -10.0112 -9.7990 -9.7990 -5.8689 -5.8689 -5.8139 -5.8139 -5.4840 -5.4840 -5.4572 -5.4572 -4.4407 -4.4407 -4.4109 -4.4109 -3.9534 -3.9534 -3.8771 -3.8771 -3.5454 -3.5454 -3.5321 -3.5321 -2.4778 -2.4778 -2.2338 -2.2338 -0.9629 -0.9629 -0.9474 -0.9474 -0.3727 -0.3727 -0.0446 -0.0446 0.1170 0.1170 0.2924 0.2924 1.2216 1.2216 1.3420 1.3420 1.4047 1.4047 1.7377 1.7377 4.4891 4.4891 5.0714 5.0714 6.2002 6.2002 6.7852 6.7852 k = 0.0270 0.3427-0.0080 ( 9316 PWs) bands (ev): -12.9076 -12.9076 -12.8852 -12.8852 -10.0122 -10.0122 -9.7992 -9.7992 -5.8692 -5.8692 -5.8139 -5.8139 -5.4841 -5.4841 -5.4575 -5.4575 -4.4406 -4.4406 -4.4108 -4.4108 -3.9534 -3.9534 -3.8769 -3.8769 -3.5437 -3.5437 -3.5347 -3.5347 -2.4802 -2.4802 -2.2318 -2.2318 -0.9616 -0.9616 -0.9504 -0.9504 -0.3719 -0.3719 -0.0159 -0.0159 0.1047 0.1047 0.2817 0.2817 1.2255 1.2255 1.3437 1.3437 1.4057 1.4057 1.7463 1.7463 4.4875 4.4875 5.0736 5.0736 6.1875 6.1875 6.7797 6.7797 k = 0.0135 0.3427-0.0080 ( 9324 PWs) bands (ev): -12.9080 -12.9080 -12.8855 -12.8855 -10.0129 -10.0129 -9.7992 -9.7992 -5.8693 -5.8693 -5.8139 -5.8139 -5.4842 -5.4842 -5.4577 -5.4577 -4.4406 -4.4406 -4.4108 -4.4108 -3.9534 -3.9534 -3.8767 -3.8767 -3.5419 -3.5419 -3.5370 -3.5370 -2.4816 -2.4816 -2.2305 -2.2305 -0.9605 -0.9605 -0.9526 -0.9526 -0.3714 -0.3714 0.0066 0.0066 0.0923 0.0923 0.2750 0.2750 1.2278 1.2278 1.3448 1.3448 1.4063 1.4063 1.7514 1.7514 4.4865 4.4865 5.0750 5.0750 6.1797 6.1797 6.7763 6.7763 k = 0.0000 0.3427-0.0080 ( 9324 PWs) bands (ev): -12.9081 -12.9081 -12.8857 -12.8857 -10.0131 -10.0131 -9.7993 -9.7993 -5.8693 -5.8693 -5.8139 -5.8139 -5.4842 -5.4842 -5.4577 -5.4577 -4.4406 -4.4406 -4.4108 -4.4108 -3.9534 -3.9534 -3.8767 -3.8767 -3.5406 -3.5406 -3.5384 -3.5384 -2.4821 -2.4821 -2.2301 -2.2301 -0.9599 -0.9599 -0.9535 -0.9535 -0.3713 -0.3713 0.0163 0.0163 0.0861 0.0861 0.2728 0.2728 1.2285 1.2285 1.3452 1.3452 1.4065 1.4065 1.7532 1.7532 4.4862 4.4862 5.0754 5.0754 6.1771 6.1771 6.7752 6.7752 k = 0.0000 0.3427-0.0080 ( 9324 PWs) bands (ev): -12.9081 -12.9081 -12.8857 -12.8857 -10.0131 -10.0131 -9.7993 -9.7993 -5.8693 -5.8693 -5.8139 -5.8139 -5.4842 -5.4842 -5.4577 -5.4577 -4.4406 -4.4406 -4.4108 -4.4108 -3.9534 -3.9534 -3.8767 -3.8767 -3.5406 -3.5406 -3.5384 -3.5384 -2.4821 -2.4821 -2.2301 -2.2301 -0.9599 -0.9599 -0.9535 -0.9535 -0.3713 -0.3713 0.0163 0.0163 0.0861 0.0861 0.2728 0.2728 1.2285 1.2285 1.3452 1.3452 1.4065 1.4065 1.7532 1.7532 4.4862 4.4862 5.0754 5.0754 6.1771 6.1771 6.7752 6.7752 k = 0.0000 0.3430 0.0052 ( 9321 PWs) bands (ev): -12.9081 -12.9081 -12.8857 -12.8857 -10.0129 -10.0129 -9.7995 -9.7995 -5.8700 -5.8700 -5.8132 -5.8132 -5.4842 -5.4842 -5.4577 -5.4577 -4.4412 -4.4412 -4.4101 -4.4101 -3.9534 -3.9534 -3.8767 -3.8767 -3.5406 -3.5406 -3.5384 -3.5384 -2.4822 -2.4822 -2.2306 -2.2306 -0.9745 -0.9745 -0.9381 -0.9381 -0.3736 -0.3736 0.0183 0.0183 0.0862 0.0862 0.2741 0.2741 1.2277 1.2277 1.3380 1.3380 1.4133 1.4133 1.7526 1.7526 4.4868 4.4868 5.0739 5.0739 6.1795 6.1795 6.7765 6.7765 k = 0.0000 0.3433 0.0184 ( 9330 PWs) bands (ev): -12.9081 -12.9081 -12.8856 -12.8856 -10.0122 -10.0122 -9.8003 -9.8003 -5.8717 -5.8717 -5.8111 -5.8111 -5.4841 -5.4841 -5.4578 -5.4578 -4.4427 -4.4427 -4.4080 -4.4080 -3.9533 -3.9533 -3.8767 -3.8767 -3.5406 -3.5406 -3.5384 -3.5384 -2.4824 -2.4824 -2.2323 -2.2323 -0.9910 -0.9910 -0.9192 -0.9192 -0.3801 -0.3801 0.0238 0.0238 0.0865 0.0865 0.2780 0.2780 1.2246 1.2246 1.3227 1.3227 1.4279 1.4279 1.7510 1.7510 4.4888 4.4888 5.0695 5.0695 6.1865 6.1865 6.7804 6.7804 k = 0.0000 0.3436 0.0315 ( 9330 PWs) bands (ev): -12.9081 -12.9081 -12.8856 -12.8856 -10.0111 -10.0111 -9.8015 -9.8015 -5.8744 -5.8744 -5.8081 -5.8081 -5.4841 -5.4841 -5.4578 -5.4578 -4.4448 -4.4448 -4.4050 -4.4050 -3.9532 -3.9532 -3.8767 -3.8767 -3.5406 -3.5406 -3.5384 -3.5384 -2.4827 -2.4827 -2.2351 -2.2351 -1.0066 -1.0066 -0.8998 -0.8998 -0.3902 -0.3902 0.0320 0.0320 0.0870 0.0870 0.2847 0.2847 1.2176 1.2176 1.3070 1.3070 1.4444 1.4444 1.7483 1.7483 4.4920 4.4920 5.0622 5.0622 6.1978 6.1978 6.7872 6.7872 k = 0.0000 0.3439 0.0447 ( 9342 PWs) bands (ev): -12.9082 -12.9082 -12.8856 -12.8856 -10.0096 -10.0096 -9.8032 -9.8032 -5.8777 -5.8777 -5.8043 -5.8043 -5.4841 -5.4841 -5.4578 -5.4578 -4.4473 -4.4473 -4.4013 -4.4013 -3.9531 -3.9531 -3.8767 -3.8767 -3.5407 -3.5407 -3.5384 -3.5384 -2.4832 -2.4832 -2.2388 -2.2388 -1.0211 -1.0211 -0.8801 -0.8801 -0.4028 -0.4028 0.0417 0.0417 0.0878 0.0878 0.2942 0.2942 1.2049 1.2049 1.2952 1.2952 1.4604 1.4604 1.7445 1.7445 4.4966 4.4966 5.0522 5.0522 6.2129 6.2129 6.7969 6.7969 k = 0.0000 0.3442 0.0579 ( 9343 PWs) bands (ev): -12.9082 -12.9082 -12.8856 -12.8856 -10.0077 -10.0077 -9.8054 -9.8054 -5.8814 -5.8814 -5.8000 -5.8000 -5.4840 -5.4840 -5.4579 -5.4579 -4.4499 -4.4499 -4.3972 -4.3972 -3.9529 -3.9529 -3.8768 -3.8768 -3.5407 -3.5407 -3.5384 -3.5384 -2.4836 -2.4836 -2.2435 -2.2435 -1.0345 -1.0345 -0.8604 -0.8604 -0.4169 -0.4169 0.0517 0.0517 0.0891 0.0891 0.3065 0.3065 1.1855 1.1855 1.2892 1.2892 1.4753 1.4753 1.7398 1.7398 4.5024 4.5024 5.0397 5.0397 6.2311 6.2311 6.8097 6.8097 k = 0.0000 0.3445 0.0710 ( 9337 PWs) bands (ev): -12.9082 -12.9082 -12.8856 -12.8856 -10.0054 -10.0054 -9.8079 -9.8079 -5.8852 -5.8852 -5.7954 -5.7954 -5.4839 -5.4839 -5.4580 -5.4580 -4.4525 -4.4525 -4.3928 -4.3928 -3.9527 -3.9527 -3.8768 -3.8768 -3.5407 -3.5407 -3.5384 -3.5384 -2.4841 -2.4841 -2.2491 -2.2491 -1.0469 -1.0469 -0.8411 -0.8411 -0.4313 -0.4313 0.0606 0.0606 0.0912 0.0912 0.3215 0.3215 1.1611 1.1611 1.2880 1.2880 1.4887 1.4887 1.7342 1.7342 4.5096 4.5096 5.0249 5.0249 6.2517 6.2517 6.8260 6.8260 k = 0.0000 0.3448 0.0842 ( 9328 PWs) bands (ev): -12.9083 -12.9083 -12.8855 -12.8855 -10.0028 -10.0028 -9.8109 -9.8109 -5.8890 -5.8890 -5.7908 -5.7908 -5.4838 -5.4838 -5.4580 -5.4580 -4.4549 -4.4549 -4.3884 -4.3884 -3.9525 -3.9525 -3.8768 -3.8768 -3.5407 -3.5407 -3.5384 -3.5384 -2.4846 -2.4846 -2.2554 -2.2554 -1.0581 -1.0581 -0.8225 -0.8225 -0.4451 -0.4451 0.0679 0.0679 0.0941 0.0941 0.3388 0.3388 1.1337 1.1337 1.2899 1.2899 1.5006 1.5006 1.7277 1.7277 4.5181 4.5181 5.0082 5.0082 6.2737 6.2737 6.8460 6.8460 k = 0.0000 0.3451 0.0974 ( 9328 PWs) bands (ev): -12.9083 -12.9083 -12.8855 -12.8855 -10.0000 -10.0000 -9.8141 -9.8141 -5.8927 -5.8927 -5.7861 -5.7861 -5.4838 -5.4838 -5.4581 -5.4581 -4.4572 -4.4572 -4.3839 -4.3839 -3.9522 -3.9522 -3.8768 -3.8768 -3.5407 -3.5407 -3.5384 -3.5384 -2.4849 -2.4849 -2.2623 -2.2623 -1.0682 -1.0682 -0.8052 -0.8052 -0.4577 -0.4577 0.0731 0.0731 0.0978 0.0978 0.3580 0.3580 1.1048 1.1048 1.2938 1.2938 1.5110 1.5110 1.7205 1.7205 4.5279 4.5279 4.9897 4.9897 6.2963 6.2963 6.8698 6.8698 k = 0.0000 0.3454 0.1105 ( 9330 PWs) bands (ev): -12.9084 -12.9084 -12.8854 -12.8854 -9.9969 -9.9969 -9.8176 -9.8176 -5.8963 -5.8963 -5.7816 -5.7816 -5.4837 -5.4837 -5.4582 -5.4582 -4.4593 -4.4593 -4.3796 -4.3796 -3.9520 -3.9520 -3.8769 -3.8769 -3.5407 -3.5407 -3.5385 -3.5385 -2.4852 -2.4852 -2.2697 -2.2697 -1.0772 -1.0772 -0.7895 -0.7895 -0.4684 -0.4684 0.0767 0.0767 0.1019 0.1019 0.3783 0.3783 1.0755 1.0755 1.2990 1.2990 1.5200 1.5200 1.7126 1.7126 4.5389 4.5389 4.9698 4.9698 6.3186 6.3186 6.8973 6.8973 k = 0.0000 0.3458 0.1237 ( 9326 PWs) bands (ev): -12.9085 -12.9085 -12.8854 -12.8854 -9.9936 -9.9936 -9.8212 -9.8212 -5.8997 -5.8997 -5.7774 -5.7774 -5.4836 -5.4836 -5.4583 -5.4583 -4.4613 -4.4613 -4.3754 -4.3754 -3.9517 -3.9517 -3.8769 -3.8769 -3.5407 -3.5407 -3.5385 -3.5385 -2.4852 -2.4852 -2.2773 -2.2773 -1.0852 -1.0852 -0.7759 -0.7759 -0.4766 -0.4766 0.0793 0.0793 0.1059 0.1059 0.3991 0.3991 1.0467 1.0467 1.3049 1.3049 1.5276 1.5276 1.7043 1.7043 4.5513 4.5513 4.9486 4.9486 6.3399 6.3399 6.9284 6.9284 k = 0.0000 0.3461 0.1368 ( 9327 PWs) bands (ev): -12.9085 -12.9085 -12.8853 -12.8853 -9.9902 -9.9902 -9.8250 -9.8250 -5.9027 -5.9027 -5.7734 -5.7734 -5.4835 -5.4835 -5.4584 -5.4584 -4.4630 -4.4630 -4.3714 -4.3714 -3.9515 -3.9515 -3.8770 -3.8770 -3.5407 -3.5407 -3.5385 -3.5385 -2.4851 -2.4851 -2.2850 -2.2850 -1.0921 -1.0921 -0.7648 -0.7648 -0.4823 -0.4823 0.0813 0.0813 0.1094 0.1094 0.4197 0.4197 1.0190 1.0190 1.3113 1.3113 1.5341 1.5341 1.6957 1.6957 4.5649 4.5649 4.9264 4.9264 6.3595 6.3595 6.9626 6.9626 k = 0.0000 0.3464 0.1500 ( 9324 PWs) bands (ev): -12.9086 -12.9086 -12.8852 -12.8852 -9.9868 -9.9868 -9.8287 -9.8287 -5.9055 -5.9055 -5.7697 -5.7697 -5.4834 -5.4834 -5.4585 -5.4585 -4.4645 -4.4645 -4.3678 -4.3678 -3.9512 -3.9512 -3.8770 -3.8770 -3.5407 -3.5407 -3.5385 -3.5385 -2.4847 -2.4847 -2.2926 -2.2926 -1.0980 -1.0980 -0.7562 -0.7562 -0.4853 -0.4853 0.0830 0.0830 0.1123 0.1123 0.4393 0.4393 0.9930 0.9930 1.3178 1.3178 1.5396 1.5396 1.6869 1.6869 4.5797 4.5797 4.9034 4.9034 6.3770 6.3770 6.9988 6.9988 k = 0.0000 0.3467 0.1632 ( 9323 PWs) bands (ev): -12.9087 -12.9087 -12.8852 -12.8852 -9.9835 -9.9835 -9.8324 -9.8324 -5.9079 -5.9079 -5.7665 -5.7665 -5.4833 -5.4833 -5.4585 -5.4585 -4.4657 -4.4657 -4.3645 -4.3645 -3.9510 -3.9510 -3.8770 -3.8770 -3.5407 -3.5407 -3.5386 -3.5386 -2.4842 -2.4842 -2.2999 -2.2999 -1.1029 -1.1029 -0.7500 -0.7500 -0.4860 -0.4860 0.0845 0.0845 0.1147 0.1147 0.4574 0.4574 0.9694 0.9694 1.3242 1.3242 1.5444 1.5444 1.6782 1.6782 4.5956 4.5956 4.8800 4.8800 6.3920 6.3920 7.0358 7.0358 k = 0.0000 0.3470 0.1763 ( 9315 PWs) bands (ev): -12.9088 -12.9088 -12.8851 -12.8851 -9.9804 -9.9804 -9.8358 -9.8358 -5.9100 -5.9100 -5.7637 -5.7637 -5.4832 -5.4832 -5.4586 -5.4586 -4.4668 -4.4668 -4.3617 -4.3617 -3.9508 -3.9508 -3.8771 -3.8771 -3.5406 -3.5406 -3.5386 -3.5386 -2.4835 -2.4835 -2.3066 -2.3066 -1.1068 -1.1068 -0.7460 -0.7460 -0.4851 -0.4851 0.0858 0.0858 0.1165 0.1165 0.4734 0.4734 0.9488 0.9488 1.3301 1.3301 1.5485 1.5485 1.6698 1.6698 4.6126 4.6126 4.8563 4.8563 6.4045 6.4045 7.0719 7.0719 k = 0.0000 0.3473 0.1895 ( 9311 PWs) bands (ev): -12.9089 -12.9089 -12.8850 -12.8850 -9.9776 -9.9776 -9.8388 -9.8388 -5.9117 -5.9117 -5.7614 -5.7614 -5.4832 -5.4832 -5.4587 -5.4587 -4.4676 -4.4676 -4.3593 -4.3593 -3.9507 -3.9507 -3.8771 -3.8771 -3.5406 -3.5406 -3.5386 -3.5386 -2.4828 -2.4828 -2.3125 -2.3125 -1.1098 -1.1098 -0.7436 -0.7436 -0.4832 -0.4832 0.0870 0.0870 0.1179 0.1179 0.4868 0.4868 0.9315 0.9315 1.3354 1.3354 1.5520 1.5520 1.6621 1.6621 4.6304 4.6304 4.8327 4.8327 6.4144 6.4144 7.1051 7.1051 k = 0.0000 0.3476 0.2027 ( 9311 PWs) bands (ev): -12.9090 -12.9090 -12.8849 -12.8849 -9.9753 -9.9753 -9.8413 -9.8413 -5.9130 -5.9130 -5.7596 -5.7596 -5.4831 -5.4831 -5.4587 -5.4587 -4.4682 -4.4682 -4.3575 -4.3575 -3.9505 -3.9505 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4820 -2.4820 -2.3174 -2.3174 -1.1120 -1.1120 -0.7424 -0.7424 -0.4812 -0.4812 0.0878 0.0878 0.1190 0.1190 0.4975 0.4975 0.9180 0.9180 1.3399 1.3399 1.5549 1.5549 1.6555 1.6555 4.6488 4.6488 4.8096 4.8096 6.4216 6.4216 7.1331 7.1331 k = 0.0000 0.3479 0.2158 ( 9326 PWs) bands (ev): -12.9091 -12.9091 -12.8848 -12.8848 -9.9735 -9.9735 -9.8433 -9.8433 -5.9139 -5.9139 -5.7583 -5.7583 -5.4831 -5.4831 -5.4587 -5.4587 -4.4685 -4.4685 -4.3563 -4.3563 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4813 -2.4813 -2.3211 -2.3211 -1.1133 -1.1133 -0.7418 -0.7418 -0.4797 -0.4797 0.0884 0.0884 0.1198 0.1198 0.5051 0.5051 0.9087 0.9087 1.3432 1.3432 1.5573 1.5573 1.6503 1.6503 4.6672 4.6672 4.7877 4.7877 6.4263 6.4263 7.1537 7.1537 k = 0.0000 0.3482 0.2290 ( 9316 PWs) bands (ev): -12.9092 -12.9092 -12.8847 -12.8847 -9.9724 -9.9724 -9.8445 -9.8445 -5.9144 -5.9144 -5.7575 -5.7575 -5.4831 -5.4831 -5.4587 -5.4587 -4.4687 -4.4687 -4.3557 -4.3557 -3.9504 -3.9504 -3.8771 -3.8771 -3.5406 -3.5406 -3.5387 -3.5387 -2.4808 -2.4808 -2.3234 -2.3234 -1.1138 -1.1138 -0.7415 -0.7415 -0.4792 -0.4792 0.0885 0.0885 0.1204 0.1204 0.5095 0.5095 0.9038 0.9038 1.3453 1.3453 1.5588 1.5588 1.6469 1.6469 4.6837 4.6837 4.7688 4.7688 6.4284 6.4284 7.1651 7.1651 k = 0.5000 0.3372 0.2449 ( 9322 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8381 -9.8381 -5.8360 -5.8360 -5.8357 -5.8357 -5.4518 -5.4518 -5.4518 -5.4518 -4.4411 -4.4411 -4.4408 -4.4408 -3.9260 -3.9260 -3.9257 -3.9257 -3.5039 -3.5039 -3.5038 -3.5038 -2.3383 -2.3383 -2.3381 -2.3381 -0.9389 -0.9389 -0.9366 -0.9366 -0.5575 -0.5575 -0.5563 -0.5563 0.4347 0.4347 0.4356 0.4356 0.7149 0.7149 0.7187 0.7187 1.4142 1.4142 1.4149 1.4149 4.8655 4.8655 4.8702 4.8702 5.4702 5.4702 5.4769 5.4769 k = 0.5000 0.3237 0.2449 ( 9328 PWs) bands (ev): -12.8291 -12.8291 -12.8291 -12.8291 -9.8381 -9.8381 -9.8380 -9.8380 -5.8366 -5.8366 -5.8352 -5.8352 -5.4519 -5.4519 -5.4517 -5.4517 -4.4419 -4.4419 -4.4400 -4.4400 -3.9260 -3.9260 -3.9259 -3.9259 -3.5039 -3.5039 -3.5036 -3.5036 -2.3368 -2.3368 -2.3363 -2.3363 -0.9389 -0.9389 -0.9345 -0.9345 -0.5595 -0.5595 -0.5586 -0.5586 0.4291 0.4291 0.4342 0.4342 0.7171 0.7171 0.7221 0.7221 1.4132 1.4132 1.4139 1.4139 4.8605 4.8605 4.8694 4.8694 5.4715 5.4715 5.4852 5.4852 k = 0.5000 0.3102 0.2449 ( 9332 PWs) bands (ev): -12.8293 -12.8293 -12.8292 -12.8292 -9.8378 -9.8378 -9.8377 -9.8377 -5.8372 -5.8372 -5.8349 -5.8349 -5.4520 -5.4520 -5.4517 -5.4517 -4.4426 -4.4426 -4.4392 -4.4392 -3.9265 -3.9265 -3.9259 -3.9259 -3.5039 -3.5039 -3.5035 -3.5035 -2.3334 -2.3334 -2.3325 -2.3325 -0.9377 -0.9377 -0.9313 -0.9313 -0.5646 -0.5646 -0.5614 -0.5614 0.4183 0.4183 0.4295 0.4295 0.7218 0.7218 0.7279 0.7279 1.4113 1.4113 1.4120 1.4120 4.8540 4.8540 4.8667 4.8667 5.4772 5.4772 5.4976 5.4976 k = 0.5000 0.2967 0.2449 ( 9330 PWs) bands (ev): -12.8295 -12.8295 -12.8294 -12.8294 -9.8375 -9.8375 -9.8373 -9.8373 -5.8380 -5.8380 -5.8347 -5.8347 -5.4522 -5.4522 -5.4516 -5.4516 -4.4434 -4.4434 -4.4384 -4.4384 -3.9270 -3.9270 -3.9260 -3.9260 -3.5039 -3.5039 -3.5033 -3.5033 -2.3281 -2.3281 -2.3269 -2.3269 -0.9355 -0.9355 -0.9275 -0.9275 -0.5713 -0.5713 -0.5656 -0.5656 0.4039 0.4039 0.4212 0.4212 0.7284 0.7284 0.7354 0.7354 1.4086 1.4086 1.4093 1.4093 4.8467 4.8467 4.8626 4.8626 5.4869 5.4869 5.5133 5.5133 k = 0.5000 0.2832 0.2449 ( 9346 PWs) bands (ev): -12.8297 -12.8297 -12.8297 -12.8297 -9.8370 -9.8370 -9.8367 -9.8367 -5.8388 -5.8388 -5.8347 -5.8347 -5.4524 -5.4524 -5.4517 -5.4517 -4.4441 -4.4441 -4.4377 -4.4377 -3.9277 -3.9277 -3.9263 -3.9263 -3.5038 -3.5038 -3.5031 -3.5031 -2.3210 -2.3210 -2.3194 -2.3194 -0.9324 -0.9324 -0.9232 -0.9232 -0.5794 -0.5794 -0.5708 -0.5708 0.3867 0.3867 0.4102 0.4102 0.7361 0.7361 0.7437 0.7437 1.4051 1.4051 1.4058 1.4058 4.8391 4.8391 4.8575 4.8575 5.4998 5.4998 5.5317 5.5317 k = 0.5000 0.2698 0.2449 ( 9350 PWs) bands (ev): -12.8301 -12.8301 -12.8300 -12.8300 -9.8364 -9.8364 -9.8361 -9.8361 -5.8397 -5.8397 -5.8347 -5.8347 -5.4526 -5.4526 -5.4517 -5.4517 -4.4448 -4.4448 -4.4371 -4.4371 -3.9284 -3.9284 -3.9266 -3.9266 -3.5037 -3.5037 -3.5028 -3.5028 -2.3122 -2.3122 -2.3101 -2.3101 -0.9289 -0.9289 -0.9191 -0.9191 -0.5888 -0.5888 -0.5767 -0.5767 0.3674 0.3674 0.3970 0.3970 0.7443 0.7443 0.7523 0.7523 1.4009 1.4009 1.4015 1.4015 4.8316 4.8316 4.8521 4.8521 5.5152 5.5152 5.5518 5.5518 k = 0.5000 0.2563 0.2449 ( 9346 PWs) bands (ev): -12.8305 -12.8305 -12.8304 -12.8304 -9.8357 -9.8357 -9.8353 -9.8353 -5.8407 -5.8407 -5.8349 -5.8349 -5.4529 -5.4529 -5.4518 -5.4518 -4.4454 -4.4454 -4.4365 -4.4365 -3.9292 -3.9292 -3.9270 -3.9270 -3.5035 -3.5035 -3.5025 -3.5025 -2.3016 -2.3016 -2.2990 -2.2990 -0.9252 -0.9252 -0.9157 -0.9157 -0.5987 -0.5987 -0.5825 -0.5825 0.3468 0.3468 0.3824 0.3824 0.7525 0.7525 0.7607 0.7607 1.3960 1.3960 1.3964 1.3964 4.8248 4.8248 4.8467 4.8467 5.5323 5.5323 5.5730 5.5730 k = 0.5000 0.2428 0.2449 ( 9346 PWs) bands (ev): -12.8309 -12.8309 -12.8308 -12.8308 -9.8349 -9.8349 -9.8345 -9.8345 -5.8417 -5.8417 -5.8352 -5.8352 -5.4531 -5.4531 -5.4519 -5.4519 -4.4460 -4.4460 -4.4359 -4.4359 -3.9301 -3.9301 -3.9274 -3.9274 -3.5033 -3.5033 -3.5022 -3.5022 -2.2894 -2.2894 -2.2863 -2.2863 -0.9222 -0.9222 -0.9138 -0.9138 -0.6087 -0.6087 -0.5876 -0.5876 0.3252 0.3252 0.3668 0.3668 0.7604 0.7604 0.7683 0.7683 1.3904 1.3904 1.3906 1.3906 4.8190 4.8190 4.8418 4.8418 5.5502 5.5502 5.5945 5.5945 k = 0.5000 0.2293 0.2449 ( 9340 PWs) bands (ev): -12.8314 -12.8314 -12.8313 -12.8313 -9.8340 -9.8340 -9.8336 -9.8336 -5.8427 -5.8427 -5.8356 -5.8356 -5.4534 -5.4534 -5.4520 -5.4520 -4.4466 -4.4466 -4.4355 -4.4355 -3.9310 -3.9310 -3.9279 -3.9279 -3.5030 -3.5030 -3.5019 -3.5019 -2.2756 -2.2756 -2.2720 -2.2720 -0.9205 -0.9205 -0.9141 -0.9141 -0.6178 -0.6178 -0.5910 -0.5910 0.3031 0.3031 0.3505 0.3505 0.7677 0.7677 0.7750 0.7750 1.3842 1.3842 1.3842 1.3842 4.8144 4.8144 4.8377 4.8377 5.5684 5.5684 5.6157 5.6157 k = 0.5000 0.2158 0.2449 ( 9344 PWs) bands (ev): -12.8319 -12.8319 -12.8318 -12.8318 -9.8330 -9.8330 -9.8326 -9.8326 -5.8437 -5.8437 -5.8361 -5.8361 -5.4537 -5.4537 -5.4521 -5.4521 -4.4470 -4.4470 -4.4351 -4.4351 -3.9319 -3.9319 -3.9285 -3.9285 -3.5027 -3.5027 -3.5015 -3.5015 -2.2604 -2.2604 -2.2563 -2.2563 -0.9211 -0.9211 -0.9177 -0.9177 -0.6249 -0.6249 -0.5919 -0.5919 0.2806 0.2806 0.3337 0.3337 0.7743 0.7743 0.7807 0.7807 1.3771 1.3771 1.3774 1.3774 4.8110 4.8110 4.8346 4.8346 5.5864 5.5864 5.6362 5.6362 k = 0.5000 0.2023 0.2449 ( 9350 PWs) bands (ev): -12.8324 -12.8324 -12.8323 -12.8323 -9.8320 -9.8320 -9.8315 -9.8315 -5.8447 -5.8447 -5.8367 -5.8367 -5.4539 -5.4539 -5.4523 -5.4523 -4.4474 -4.4474 -4.4348 -4.4348 -3.9328 -3.9328 -3.9290 -3.9290 -3.5024 -3.5024 -3.5011 -3.5011 -2.2438 -2.2438 -2.2392 -2.2392 -0.9250 -0.9250 -0.9249 -0.9249 -0.6291 -0.6291 -0.5894 -0.5894 0.2580 0.2580 0.3164 0.3164 0.7801 0.7801 0.7854 0.7854 1.3695 1.3695 1.3701 1.3701 4.8090 4.8090 4.8324 4.8324 5.6037 5.6037 5.6556 5.6556 k = 0.5000 0.1888 0.2449 ( 9342 PWs) bands (ev): -12.8330 -12.8330 -12.8329 -12.8329 -9.8309 -9.8309 -9.8304 -9.8304 -5.8457 -5.8457 -5.8375 -5.8375 -5.4542 -5.4542 -5.4524 -5.4524 -4.4477 -4.4477 -4.4346 -4.4346 -3.9336 -3.9336 -3.9296 -3.9296 -3.5020 -3.5020 -3.5007 -3.5007 -2.2261 -2.2261 -2.2208 -2.2208 -0.9365 -0.9365 -0.9329 -0.9329 -0.6293 -0.6293 -0.5832 -0.5832 0.2353 0.2353 0.2987 0.2987 0.7853 0.7853 0.7892 0.7892 1.3614 1.3614 1.3624 1.3624 4.8082 4.8082 4.8313 4.8313 5.6204 5.6204 5.6736 5.6736 k = 0.5000 0.1753 0.2449 ( 9344 PWs) bands (ev): -12.8335 -12.8335 -12.8334 -12.8334 -9.8299 -9.8299 -9.8294 -9.8294 -5.8467 -5.8467 -5.8383 -5.8383 -5.4544 -5.4544 -5.4526 -5.4526 -4.4479 -4.4479 -4.4344 -4.4344 -3.9344 -3.9344 -3.9302 -3.9302 -3.5016 -3.5016 -3.5003 -3.5003 -2.2073 -2.2073 -2.2015 -2.2015 -0.9520 -0.9520 -0.9452 -0.9452 -0.6251 -0.6251 -0.5732 -0.5732 0.2127 0.2127 0.2804 0.2804 0.7899 0.7899 0.7923 0.7923 1.3529 1.3529 1.3543 1.3543 4.8086 4.8086 4.8310 4.8310 5.6361 5.6361 5.6903 5.6903 k = 0.5000 0.1619 0.2449 ( 9340 PWs) bands (ev): -12.8341 -12.8341 -12.8340 -12.8340 -9.8288 -9.8288 -9.8283 -9.8283 -5.8476 -5.8476 -5.8392 -5.8392 -5.4547 -5.4547 -5.4528 -5.4528 -4.4479 -4.4479 -4.4344 -4.4344 -3.9351 -3.9351 -3.9308 -3.9308 -3.5011 -3.5011 -3.4999 -3.4999 -2.1876 -2.1876 -2.1812 -2.1812 -0.9711 -0.9711 -0.9618 -0.9618 -0.6164 -0.6164 -0.5597 -0.5597 0.1900 0.1900 0.2616 0.2616 0.7939 0.7939 0.7948 0.7948 1.3441 1.3441 1.3459 1.3459 4.8098 4.8098 4.8314 4.8314 5.6510 5.6510 5.7054 5.7054 k = 0.5000 0.1484 0.2449 ( 9350 PWs) bands (ev): -12.8347 -12.8347 -12.8346 -12.8346 -9.8277 -9.8277 -9.8272 -9.8272 -5.8484 -5.8484 -5.8402 -5.8402 -5.4549 -5.4549 -5.4531 -5.4531 -4.4479 -4.4479 -4.4345 -4.4345 -3.9358 -3.9358 -3.9314 -3.9314 -3.5007 -3.5007 -3.4995 -3.4995 -2.1672 -2.1672 -2.1604 -2.1604 -0.9931 -0.9931 -0.9819 -0.9819 -0.6036 -0.6036 -0.5432 -0.5432 0.1674 0.1674 0.2421 0.2421 0.7969 0.7969 0.7976 0.7976 1.3352 1.3352 1.3373 1.3373 4.8117 4.8117 4.8323 4.8323 5.6652 5.6652 5.7191 5.7191 k = 0.5000 0.1349 0.2449 ( 9372 PWs) bands (ev): -12.8352 -12.8352 -12.8351 -12.8351 -9.8266 -9.8266 -9.8261 -9.8261 -5.8492 -5.8492 -5.8412 -5.8412 -5.4551 -5.4551 -5.4533 -5.4533 -4.4478 -4.4478 -4.4348 -4.4348 -3.9363 -3.9363 -3.9320 -3.9320 -3.5002 -3.5002 -3.4991 -3.4991 -2.1464 -2.1464 -2.1392 -2.1392 -1.0172 -1.0172 -1.0049 -1.0049 -0.5874 -0.5874 -0.5243 -0.5243 0.1449 0.1449 0.2219 0.2219 0.7989 0.7989 0.8009 0.8009 1.3262 1.3262 1.3286 1.3286 4.8141 4.8141 4.8335 4.8335 5.6789 5.6789 5.7315 5.7315 k = 0.5000 0.1214 0.2449 ( 9374 PWs) bands (ev): -12.8357 -12.8357 -12.8357 -12.8357 -9.8256 -9.8256 -9.8251 -9.8251 -5.8499 -5.8499 -5.8423 -5.8423 -5.4552 -5.4552 -5.4535 -5.4535 -4.4475 -4.4475 -4.4351 -4.4351 -3.9368 -3.9368 -3.9325 -3.9325 -3.4998 -3.4998 -3.4987 -3.4987 -2.1254 -2.1254 -2.1179 -2.1179 -1.0426 -1.0426 -1.0297 -1.0297 -0.5685 -0.5685 -0.5038 -0.5038 0.1228 0.1228 0.2009 0.2009 0.8008 0.8008 0.8040 0.8040 1.3173 1.3173 1.3200 1.3200 4.8168 4.8168 4.8347 4.8347 5.6921 5.6921 5.7426 5.7426 k = 0.5000 0.1079 0.2449 ( 9380 PWs) bands (ev): -12.8362 -12.8362 -12.8361 -12.8361 -9.8246 -9.8246 -9.8242 -9.8242 -5.8504 -5.8504 -5.8433 -5.8433 -5.4554 -5.4554 -5.4537 -5.4537 -4.4472 -4.4472 -4.4355 -4.4355 -3.9372 -3.9372 -3.9331 -3.9331 -3.4993 -3.4993 -3.4983 -3.4983 -2.1046 -2.1046 -2.0970 -2.0970 -1.0683 -1.0683 -1.0554 -1.0554 -0.5475 -0.5475 -0.4824 -0.4824 0.1012 0.1012 0.1792 0.1792 0.8028 0.8028 0.8069 0.8069 1.3087 1.3087 1.3115 1.3115 4.8196 4.8196 4.8359 4.8359 5.7049 5.7049 5.7525 5.7525 k = 0.5000 0.0944 0.2449 ( 9376 PWs) bands (ev): -12.8367 -12.8367 -12.8366 -12.8366 -9.8237 -9.8237 -9.8233 -9.8233 -5.8509 -5.8509 -5.8444 -5.8444 -5.4555 -5.4555 -5.4540 -5.4540 -4.4467 -4.4467 -4.4360 -4.4360 -3.9374 -3.9374 -3.9336 -3.9336 -3.4989 -3.4989 -3.4980 -3.4980 -2.0843 -2.0843 -2.0767 -2.0767 -1.0937 -1.0937 -1.0811 -1.0811 -0.5251 -0.5251 -0.4609 -0.4609 0.0805 0.0805 0.1569 0.1569 0.8050 0.8050 0.8095 0.8095 1.3006 1.3006 1.3034 1.3034 4.8223 4.8223 4.8368 4.8368 5.7173 5.7173 5.7611 5.7611 k = 0.5000 0.0809 0.2449 ( 9374 PWs) bands (ev): -12.8371 -12.8371 -12.8370 -12.8370 -9.8229 -9.8229 -9.8226 -9.8226 -5.8512 -5.8512 -5.8454 -5.8454 -5.4555 -5.4555 -5.4542 -5.4542 -4.4462 -4.4462 -4.4366 -4.4366 -3.9376 -3.9376 -3.9341 -3.9341 -3.4985 -3.4985 -3.4977 -3.4977 -2.0649 -2.0649 -2.0576 -2.0576 -1.1178 -1.1178 -1.1059 -1.1059 -0.5020 -0.5020 -0.4401 -0.4401 0.0613 0.0613 0.1342 0.1342 0.8072 0.8072 0.8120 0.8120 1.2930 1.2930 1.2957 1.2957 4.8248 4.8248 4.8374 4.8374 5.7292 5.7292 5.7685 5.7685 k = 0.5000 0.0674 0.2449 ( 9378 PWs) bands (ev): -12.8374 -12.8374 -12.8374 -12.8374 -9.8222 -9.8222 -9.8219 -9.8219 -5.8514 -5.8514 -5.8465 -5.8465 -5.4556 -5.4556 -5.4544 -5.4544 -4.4456 -4.4456 -4.4373 -4.4373 -3.9376 -3.9376 -3.9346 -3.9346 -3.4981 -3.4981 -3.4975 -3.4975 -2.0469 -2.0469 -2.0403 -2.0403 -1.1398 -1.1398 -1.1291 -1.1291 -0.4788 -0.4788 -0.4212 -0.4212 0.0442 0.0442 0.1116 0.1116 0.8095 0.8095 0.8141 0.8141 1.2863 1.2863 1.2888 1.2888 4.8271 4.8271 4.8377 4.8377 5.7406 5.7406 5.7746 5.7746 k = 0.5000 0.0540 0.2449 ( 9372 PWs) bands (ev): -12.8377 -12.8377 -12.8377 -12.8377 -9.8216 -9.8216 -9.8214 -9.8214 -5.8515 -5.8515 -5.8474 -5.8474 -5.4556 -5.4556 -5.4546 -5.4546 -4.4448 -4.4448 -4.4380 -4.4380 -3.9376 -3.9376 -3.9351 -3.9351 -3.4978 -3.4978 -3.4973 -3.4973 -2.0310 -2.0310 -2.0251 -2.0251 -1.1589 -1.1589 -1.1498 -1.1498 -0.4562 -0.4562 -0.4052 -0.4052 0.0302 0.0302 0.0895 0.0895 0.8117 0.8117 0.8159 0.8159 1.2806 1.2806 1.2827 1.2827 4.8292 4.8292 4.8377 4.8377 5.7511 5.7511 5.7792 5.7792 k = 0.5000 0.0405 0.2449 ( 9374 PWs) bands (ev): -12.8379 -12.8379 -12.8379 -12.8379 -9.8211 -9.8211 -9.8209 -9.8209 -5.8514 -5.8514 -5.8483 -5.8483 -5.4555 -5.4555 -5.4548 -5.4548 -4.4441 -4.4441 -4.4389 -4.4389 -3.9375 -3.9375 -3.9356 -3.9356 -3.4975 -3.4975 -3.4971 -3.4971 -2.0175 -2.0175 -2.0128 -2.0128 -1.1744 -1.1744 -1.1672 -1.1672 -0.4352 -0.4352 -0.3932 -0.3932 0.0203 0.0203 0.0686 0.0686 0.8138 0.8138 0.8172 0.8172 1.2760 1.2760 1.2777 1.2777 4.8310 4.8310 4.8374 4.8374 5.7605 5.7605 5.7821 5.7821 k = 0.5000 0.0270 0.2449 ( 9384 PWs) bands (ev): -12.8381 -12.8381 -12.8381 -12.8381 -9.8207 -9.8207 -9.8206 -9.8206 -5.8512 -5.8512 -5.8491 -5.8491 -5.4555 -5.4555 -5.4550 -5.4550 -4.4432 -4.4432 -4.4397 -4.4397 -3.9373 -3.9373 -3.9360 -3.9360 -3.4973 -3.4973 -3.4970 -3.4970 -2.0072 -2.0072 -2.0039 -2.0039 -1.1857 -1.1857 -1.1807 -1.1807 -0.4165 -0.4165 -0.3865 -0.3865 0.0155 0.0155 0.0499 0.0499 0.8156 0.8156 0.8181 0.8181 1.2727 1.2727 1.2739 1.2739 4.8325 4.8325 4.8368 4.8368 5.7686 5.7686 5.7832 5.7832 k = 0.5000 0.0135 0.2449 ( 9380 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8205 -9.8205 -9.8204 -9.8204 -5.8509 -5.8509 -5.8498 -5.8498 -5.4554 -5.4554 -5.4551 -5.4551 -4.4424 -4.4424 -4.4406 -4.4406 -3.9371 -3.9371 -3.9364 -3.9364 -3.4971 -3.4971 -3.4970 -3.4970 -2.0004 -2.0004 -1.9987 -1.9987 -1.1921 -1.1921 -1.1895 -1.1895 -0.4013 -0.4013 -0.3856 -0.3856 0.0162 0.0162 0.0342 0.0342 0.8170 0.8170 0.8183 0.8183 1.2708 1.2708 1.2714 1.2714 4.8339 4.8339 4.8360 4.8360 5.7750 5.7750 5.7824 5.7824 k = 0.5000-0.0000 0.2449 ( 9376 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8504 -5.8504 -5.8504 -5.8504 -5.4553 -5.4553 -5.4553 -5.4553 -4.4415 -4.4415 -4.4415 -4.4415 -3.9368 -3.9368 -3.9368 -3.9368 -3.4970 -3.4970 -3.4970 -3.4970 -1.9975 -1.9975 -1.9975 -1.9975 -1.1934 -1.1934 -1.1934 -1.1934 -0.3907 -0.3907 -0.3907 -0.3907 0.0226 0.0226 0.0226 0.0226 0.8180 0.8180 0.8180 0.8180 1.2704 1.2704 1.2704 1.2704 4.8351 4.8351 4.8351 4.8351 5.7797 5.7797 5.7797 5.7797 k = 0.5000-0.0000 0.2449 ( 9376 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8504 -5.8504 -5.8504 -5.8504 -5.4553 -5.4553 -5.4553 -5.4553 -4.4415 -4.4415 -4.4415 -4.4415 -3.9368 -3.9368 -3.9368 -3.9368 -3.4970 -3.4970 -3.4970 -3.4970 -1.9975 -1.9975 -1.9975 -1.9975 -1.1934 -1.1934 -1.1934 -1.1934 -0.3907 -0.3907 -0.3907 -0.3907 0.0226 0.0226 0.0226 0.0226 0.8180 0.8180 0.8180 0.8180 1.2704 1.2704 1.2704 1.2704 4.8351 4.8351 4.8351 4.8351 5.7797 5.7797 5.7797 5.7797 k = 0.5000-0.0000 0.2320 ( 9376 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8505 -5.8505 -5.8503 -5.8503 -5.4554 -5.4554 -5.4552 -5.4552 -4.4417 -4.4417 -4.4413 -4.4413 -3.9371 -3.9371 -3.9365 -3.9365 -3.4971 -3.4971 -3.4970 -3.4970 -1.9975 -1.9975 -1.9974 -1.9974 -1.1929 -1.1929 -1.1925 -1.1925 -0.3922 -0.3922 -0.3905 -0.3905 0.0214 0.0214 0.0229 0.0229 0.8174 0.8174 0.8182 0.8182 1.2702 1.2702 1.2713 1.2713 4.8347 4.8347 4.8367 4.8367 5.7768 5.7768 5.7810 5.7810 k = 0.5000-0.0000 0.2191 ( 9368 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8506 -5.8506 -5.8502 -5.8502 -5.4555 -5.4555 -5.4551 -5.4551 -4.4420 -4.4420 -4.4411 -4.4411 -3.9374 -3.9374 -3.9362 -3.9362 -3.4971 -3.4971 -3.4971 -3.4971 -1.9974 -1.9974 -1.9971 -1.9971 -1.1912 -1.1912 -1.1903 -1.1903 -0.3948 -0.3948 -0.3914 -0.3914 0.0194 0.0194 0.0223 0.0223 0.8167 0.8167 0.8182 0.8182 1.2706 1.2706 1.2728 1.2728 4.8355 4.8355 4.8394 4.8394 5.7725 5.7725 5.7807 5.7807 k = 0.5000-0.0000 0.2062 ( 9376 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8507 -5.8507 -5.8502 -5.8502 -5.4556 -5.4556 -5.4551 -5.4551 -4.4423 -4.4423 -4.4410 -4.4410 -3.9377 -3.9377 -3.9360 -3.9360 -3.4972 -3.4972 -3.4971 -3.4971 -1.9971 -1.9971 -1.9967 -1.9967 -1.1881 -1.1881 -1.1869 -1.1869 -0.3985 -0.3985 -0.3936 -0.3936 0.0166 0.0166 0.0209 0.0209 0.8157 0.8157 0.8180 0.8180 1.2717 1.2717 1.2749 1.2749 4.8375 4.8375 4.8433 4.8433 5.7668 5.7668 5.7790 5.7790 k = 0.5000-0.0000 0.1933 ( 9380 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8508 -5.8508 -5.8501 -5.8501 -5.4557 -5.4557 -5.4550 -5.4550 -4.4426 -4.4426 -4.4410 -4.4410 -3.9380 -3.9380 -3.9359 -3.9359 -3.4973 -3.4973 -3.4972 -3.4972 -1.9968 -1.9968 -1.9962 -1.9962 -1.1837 -1.1837 -1.1821 -1.1821 -0.4034 -0.4034 -0.3970 -0.3970 0.0132 0.0132 0.0187 0.0187 0.8146 0.8146 0.8175 0.8175 1.2734 1.2734 1.2774 1.2774 4.8406 4.8406 4.8481 4.8481 5.7600 5.7600 5.7757 5.7757 k = 0.5000-0.0000 0.1805 ( 9380 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8509 -5.8509 -5.8501 -5.8501 -5.4558 -5.4558 -5.4550 -5.4550 -4.4429 -4.4429 -4.4410 -4.4410 -3.9383 -3.9383 -3.9357 -3.9357 -3.4975 -3.4975 -3.4973 -3.4973 -1.9963 -1.9963 -1.9957 -1.9957 -1.1782 -1.1782 -1.1763 -1.1763 -0.4093 -0.4093 -0.4016 -0.4016 0.0092 0.0092 0.0158 0.0158 0.8134 0.8134 0.8168 0.8168 1.2756 1.2756 1.2804 1.2804 4.8446 4.8446 4.8539 4.8539 5.7524 5.7524 5.7713 5.7713 k = 0.5000-0.0000 0.1676 ( 9386 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8203 -9.8203 -5.8510 -5.8510 -5.8501 -5.8501 -5.4559 -5.4559 -5.4549 -5.4549 -4.4433 -4.4433 -4.4410 -4.4410 -3.9386 -3.9386 -3.9357 -3.9357 -3.4976 -3.4976 -3.4975 -3.4975 -1.9957 -1.9957 -1.9950 -1.9950 -1.1715 -1.1715 -1.1693 -1.1693 -0.4162 -0.4162 -0.4074 -0.4074 0.0048 0.0048 0.0123 0.0123 0.8121 0.8121 0.8160 0.8160 1.2783 1.2783 1.2836 1.2836 4.8496 4.8496 4.8603 4.8603 5.7442 5.7442 5.7657 5.7657 k = 0.5000-0.0000 0.1547 ( 9382 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8203 -9.8203 -9.8203 -9.8203 -5.8510 -5.8510 -5.8501 -5.8501 -5.4560 -5.4560 -5.4549 -5.4549 -4.4436 -4.4436 -4.4411 -4.4411 -3.9389 -3.9389 -3.9357 -3.9357 -3.4978 -3.4978 -3.4976 -3.4976 -1.9951 -1.9951 -1.9943 -1.9943 -1.1639 -1.1639 -1.1614 -1.1614 -0.4239 -0.4239 -0.4144 -0.4144 0.0001 0.0001 0.0083 0.0083 0.8109 0.8109 0.8150 0.8150 1.2813 1.2813 1.2871 1.2871 4.8552 4.8552 4.8671 4.8671 5.7356 5.7356 5.7593 5.7593 k = 0.5000-0.0000 0.1418 ( 9378 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8203 -9.8203 -9.8203 -9.8203 -5.8511 -5.8511 -5.8501 -5.8501 -5.4560 -5.4560 -5.4550 -5.4550 -4.4439 -4.4439 -4.4413 -4.4413 -3.9391 -3.9391 -3.9357 -3.9357 -3.4980 -3.4980 -3.4978 -3.4978 -1.9944 -1.9944 -1.9936 -1.9936 -1.1554 -1.1554 -1.1526 -1.1526 -0.4325 -0.4325 -0.4223 -0.4223 -0.0046 -0.0046 0.0040 0.0040 0.8097 0.8097 0.8139 0.8139 1.2846 1.2846 1.2906 1.2906 4.8615 4.8615 4.8743 4.8743 5.7271 5.7271 5.7523 5.7523 k = 0.5000-0.0000 0.1289 ( 9378 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8203 -9.8203 -9.8203 -9.8203 -5.8512 -5.8512 -5.8501 -5.8501 -5.4561 -5.4561 -5.4550 -5.4550 -4.4441 -4.4441 -4.4415 -4.4415 -3.9393 -3.9393 -3.9358 -3.9358 -3.4982 -3.4982 -3.4980 -3.4980 -1.9937 -1.9937 -1.9928 -1.9928 -1.1463 -1.1463 -1.1433 -1.1433 -0.4417 -0.4417 -0.4312 -0.4312 -0.0093 -0.0093 -0.0004 -0.0004 0.8086 0.8086 0.8128 0.8128 1.2881 1.2881 1.2942 1.2942 4.8681 4.8681 4.8816 4.8816 5.7188 5.7188 5.7448 5.7448 k = 0.5000-0.0000 0.1160 ( 9384 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8203 -9.8203 -9.8203 -9.8203 -5.8512 -5.8512 -5.8502 -5.8502 -5.4562 -5.4562 -5.4550 -5.4550 -4.4444 -4.4444 -4.4417 -4.4417 -3.9395 -3.9395 -3.9360 -3.9360 -3.4984 -3.4984 -3.4982 -3.4982 -1.9929 -1.9929 -1.9921 -1.9921 -1.1366 -1.1366 -1.1335 -1.1335 -0.4513 -0.4513 -0.4407 -0.4407 -0.0137 -0.0137 -0.0049 -0.0049 0.8076 0.8076 0.8117 0.8117 1.2916 1.2916 1.2976 1.2976 4.8749 4.8749 4.8887 4.8887 5.7110 5.7110 5.7372 5.7372 k = 0.5000-0.0000 0.1031 ( 9390 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8202 -9.8202 -9.8202 -9.8202 -5.8512 -5.8512 -5.8502 -5.8502 -5.4562 -5.4562 -5.4551 -5.4551 -4.4446 -4.4446 -4.4420 -4.4420 -3.9395 -3.9395 -3.9361 -3.9361 -3.4986 -3.4986 -3.4984 -3.4984 -1.9922 -1.9922 -1.9914 -1.9914 -1.1267 -1.1267 -1.1236 -1.1236 -0.4612 -0.4612 -0.4508 -0.4508 -0.0179 -0.0179 -0.0094 -0.0094 0.8067 0.8067 0.8106 0.8106 1.2951 1.2951 1.3008 1.3008 4.8817 4.8817 4.8954 4.8954 5.7040 5.7040 5.7296 5.7296 k = 0.5000-0.0000 0.0902 ( 9380 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8202 -9.8202 -9.8202 -9.8202 -5.8512 -5.8512 -5.8503 -5.8503 -5.4562 -5.4562 -5.4552 -5.4552 -4.4447 -4.4447 -4.4423 -4.4423 -3.9396 -3.9396 -3.9364 -3.9364 -3.4987 -3.4987 -3.4986 -3.4986 -1.9915 -1.9915 -1.9907 -1.9907 -1.1168 -1.1168 -1.1137 -1.1137 -0.4709 -0.4709 -0.4610 -0.4610 -0.0216 -0.0216 -0.0136 -0.0136 0.8059 0.8059 0.8096 0.8096 1.2984 1.2984 1.3037 1.3037 4.8884 4.8884 4.9016 4.9016 5.6979 5.6979 5.7223 5.7223 k = 0.5000-0.0000 0.0773 ( 9372 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8202 -9.8202 -9.8202 -9.8202 -5.8512 -5.8512 -5.8504 -5.8504 -5.4562 -5.4562 -5.4553 -5.4553 -4.4448 -4.4448 -4.4426 -4.4426 -3.9396 -3.9396 -3.9366 -3.9366 -3.4989 -3.4989 -3.4987 -3.4987 -1.9908 -1.9908 -1.9901 -1.9901 -1.1072 -1.1072 -1.1042 -1.1042 -0.4802 -0.4802 -0.4712 -0.4712 -0.0248 -0.0248 -0.0175 -0.0175 0.8054 0.8054 0.8086 0.8086 1.3016 1.3016 1.3064 1.3064 4.8948 4.8948 4.9071 4.9071 5.6928 5.6928 5.7152 5.7152 k = 0.5000-0.0000 0.0644 ( 9372 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8202 -9.8202 -9.8202 -9.8202 -5.8512 -5.8512 -5.8505 -5.8505 -5.4562 -5.4562 -5.4554 -5.4554 -4.4449 -4.4449 -4.4429 -4.4429 -3.9395 -3.9395 -3.9369 -3.9369 -3.4990 -3.4990 -3.4989 -3.4989 -1.9902 -1.9902 -1.9896 -1.9896 -1.0982 -1.0982 -1.0955 -1.0955 -0.4889 -0.4889 -0.4808 -0.4808 -0.0274 -0.0274 -0.0211 -0.0211 0.8049 0.8049 0.8077 0.8077 1.3044 1.3044 1.3086 1.3086 4.9007 4.9007 4.9116 4.9116 5.6888 5.6888 5.7087 5.7087 k = 0.5000-0.0000 0.0516 ( 9374 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8202 -9.8202 -9.8201 -9.8201 -5.8512 -5.8512 -5.8506 -5.8506 -5.4561 -5.4561 -5.4555 -5.4555 -4.4449 -4.4449 -4.4433 -4.4433 -3.9394 -3.9394 -3.9372 -3.9372 -3.4991 -3.4991 -3.4990 -3.4990 -1.9897 -1.9897 -1.9892 -1.9892 -1.0901 -1.0901 -1.0878 -1.0878 -0.4964 -0.4964 -0.4896 -0.4896 -0.0295 -0.0295 -0.0243 -0.0243 0.8046 0.8046 0.8069 0.8069 1.3069 1.3069 1.3104 1.3104 4.9060 4.9060 4.9153 4.9153 5.6861 5.6861 5.7027 5.7027 k = 0.5000-0.0000 0.0387 ( 9378 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8201 -9.8201 -9.8201 -9.8201 -5.8511 -5.8511 -5.8506 -5.8506 -5.4561 -5.4561 -5.4556 -5.4556 -4.4448 -4.4448 -4.4436 -4.4436 -3.9392 -3.9392 -3.9376 -3.9376 -3.4992 -3.4992 -3.4991 -3.4991 -1.9892 -1.9892 -1.9888 -1.9888 -1.0834 -1.0834 -1.0815 -1.0815 -0.5024 -0.5024 -0.4972 -0.4972 -0.0309 -0.0309 -0.0269 -0.0269 0.8045 0.8045 0.8063 0.8063 1.3090 1.3090 1.3117 1.3117 4.9105 4.9105 4.9178 4.9178 5.6845 5.6845 5.6974 5.6974 k = 0.5000-0.0000 0.0258 ( 9366 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8201 -9.8201 -9.8201 -9.8201 -5.8511 -5.8511 -5.8507 -5.8507 -5.4560 -5.4560 -5.4557 -5.4557 -4.4447 -4.4447 -4.4439 -4.4439 -3.9390 -3.9390 -3.9379 -3.9379 -3.4993 -3.4993 -3.4992 -3.4992 -1.9889 -1.9889 -1.9886 -1.9886 -1.0782 -1.0782 -1.0769 -1.0769 -0.5067 -0.5067 -0.5031 -0.5031 -0.0318 -0.0318 -0.0290 -0.0290 0.8045 0.8045 0.8057 0.8057 1.3107 1.3107 1.3125 1.3125 4.9143 4.9143 4.9193 4.9193 5.6840 5.6840 5.6929 5.6929 k = 0.5000-0.0000 0.0129 ( 9370 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8201 -9.8201 -9.8201 -9.8201 -5.8510 -5.8510 -5.8508 -5.8508 -5.4559 -5.4559 -5.4558 -5.4558 -4.4446 -4.4446 -4.4441 -4.4441 -3.9388 -3.9388 -3.9382 -3.9382 -3.4993 -3.4993 -3.4993 -3.4993 -1.9887 -1.9887 -1.9885 -1.9885 -1.0748 -1.0748 -1.0741 -1.0741 -0.5091 -0.5091 -0.5072 -0.5072 -0.0320 -0.0320 -0.0306 -0.0306 0.8046 0.8046 0.8052 0.8052 1.3119 1.3119 1.3128 1.3128 4.9171 4.9171 4.9196 4.9196 5.6847 5.6847 5.6892 5.6892 k = 0.5000-0.0000-0.0000 ( 9378 PWs) bands (ev): -12.8383 -12.8383 -12.8383 -12.8383 -9.8201 -9.8201 -9.8201 -9.8201 -5.8509 -5.8509 -5.8509 -5.8509 -5.4559 -5.4559 -5.4559 -5.4559 -4.4444 -4.4444 -4.4444 -4.4444 -3.9385 -3.9385 -3.9385 -3.9385 -3.4993 -3.4993 -3.4993 -3.4993 -1.9885 -1.9885 -1.9885 -1.9885 -1.0734 -1.0734 -1.0734 -1.0734 -0.5092 -0.5092 -0.5092 -0.5092 -0.0316 -0.0316 -0.0316 -0.0316 0.8048 0.8048 0.8048 0.8048 1.3126 1.3126 1.3126 1.3126 4.9189 4.9189 4.9189 4.9189 5.6865 5.6865 5.6865 5.6865 k = 0.0000 0.0000 0.2449 ( 9314 PWs) bands (ev): -13.0906 -13.0906 -12.7028 -12.7028 -10.0043 -10.0043 -9.7763 -9.7763 -5.9066 -5.9066 -5.7917 -5.7917 -5.4882 -5.4882 -5.4622 -5.4622 -4.5073 -4.5073 -4.3665 -4.3665 -3.9687 -3.9687 -3.8941 -3.8941 -3.5499 -3.5499 -3.5382 -3.5382 -2.4953 -2.4953 -2.4666 -2.4666 -0.8891 -0.8891 -0.5944 -0.5944 -0.3708 -0.3708 0.0708 0.0708 0.3746 0.3746 0.6677 0.6677 0.9621 0.9621 1.1557 1.1557 1.2737 1.2737 1.7671 1.7671 4.3841 4.3841 4.5594 4.5594 5.7992 5.7992 6.3974 6.3974 k = 0.0135-0.0000 0.2449 ( 9312 PWs) bands (ev): -13.0904 -13.0904 -12.7029 -12.7029 -10.0040 -10.0040 -9.7762 -9.7762 -5.9065 -5.9065 -5.7917 -5.7917 -5.4882 -5.4882 -5.4621 -5.4621 -4.5072 -4.5072 -4.3665 -4.3665 -3.9687 -3.9687 -3.8941 -3.8941 -3.5503 -3.5503 -3.5376 -3.5376 -2.4949 -2.4949 -2.4658 -2.4658 -0.8893 -0.8893 -0.5958 -0.5958 -0.3709 -0.3709 0.0701 0.0701 0.3739 0.3739 0.6660 0.6660 0.9633 0.9633 1.1555 1.1555 1.2726 1.2726 1.7655 1.7655 4.3846 4.3846 4.5597 4.5597 5.8016 5.8016 6.3991 6.3991 k = 0.0270-0.0000 0.2449 ( 9308 PWs) bands (ev): -13.0895 -13.0895 -12.7031 -12.7031 -10.0034 -10.0034 -9.7762 -9.7762 -5.9064 -5.9064 -5.7919 -5.7919 -5.4881 -5.4881 -5.4619 -5.4619 -4.5071 -4.5071 -4.3667 -4.3667 -3.9686 -3.9686 -3.8942 -3.8942 -3.5512 -3.5512 -3.5361 -3.5361 -2.4934 -2.4934 -2.4633 -2.4633 -0.8900 -0.8900 -0.6003 -0.6003 -0.3711 -0.3711 0.0682 0.0682 0.3718 0.3718 0.6610 0.6610 0.9666 0.9666 1.1548 1.1548 1.2692 1.2692 1.7606 1.7606 4.3861 4.3861 4.5606 4.5606 5.8089 5.8089 6.4039 6.4039 k = 0.0405-0.0000 0.2449 ( 9314 PWs) bands (ev): -13.0882 -13.0882 -12.7034 -12.7034 -10.0023 -10.0023 -9.7760 -9.7760 -5.9061 -5.9061 -5.7922 -5.7922 -5.4879 -5.4879 -5.4617 -5.4617 -4.5068 -4.5068 -4.3670 -4.3670 -3.9685 -3.9685 -3.8945 -3.8945 -3.5523 -3.5523 -3.5339 -3.5339 -2.4910 -2.4910 -2.4593 -2.4593 -0.8912 -0.8912 -0.6076 -0.6076 -0.3713 -0.3713 0.0650 0.0650 0.3683 0.3683 0.6531 0.6531 0.9718 0.9718 1.1535 1.1535 1.2637 1.2637 1.7524 1.7524 4.3886 4.3886 4.5621 4.5621 5.8209 5.8209 6.4119 6.4119 k = 0.0541-0.0000 0.2449 ( 9308 PWs) bands (ev): -13.0863 -13.0863 -12.7039 -12.7039 -10.0007 -10.0007 -9.7759 -9.7759 -5.9057 -5.9057 -5.7925 -5.7925 -5.4877 -5.4877 -5.4613 -5.4613 -4.5064 -4.5064 -4.3674 -4.3674 -3.9683 -3.9683 -3.8948 -3.8948 -3.5535 -3.5535 -3.5313 -3.5313 -2.4875 -2.4875 -2.4537 -2.4537 -0.8929 -0.8929 -0.6178 -0.6178 -0.3716 -0.3716 0.0606 0.0606 0.3634 0.3634 0.6426 0.6426 0.9785 0.9785 1.1515 1.1515 1.2564 1.2564 1.7412 1.7412 4.3921 4.3921 4.5642 4.5642 5.8374 5.8374 6.4228 6.4228 k = 0.0676-0.0000 0.2449 ( 9306 PWs) bands (ev): -13.0839 -13.0839 -12.7044 -12.7044 -9.9988 -9.9988 -9.7756 -9.7756 -5.9052 -5.9052 -5.7930 -5.7930 -5.4874 -5.4874 -5.4608 -5.4608 -4.5060 -4.5060 -4.3679 -4.3679 -3.9680 -3.9680 -3.8951 -3.8951 -3.5546 -3.5546 -3.5284 -3.5284 -2.4829 -2.4829 -2.4467 -2.4467 -0.8951 -0.8951 -0.6308 -0.6308 -0.3720 -0.3720 0.0550 0.0550 0.3572 0.3572 0.6299 0.6299 0.9865 0.9865 1.1486 1.1486 1.2475 1.2475 1.7270 1.7270 4.3965 4.3965 4.5668 4.5668 5.8583 5.8583 6.4363 6.4363 k = 0.0811-0.0000 0.2449 ( 9302 PWs) bands (ev): -13.0810 -13.0810 -12.7052 -12.7052 -9.9964 -9.9964 -9.7754 -9.7754 -5.9047 -5.9047 -5.7936 -5.7936 -5.4871 -5.4871 -5.4602 -5.4602 -4.5054 -4.5054 -4.3685 -4.3685 -3.9677 -3.9677 -3.8956 -3.8956 -3.5555 -3.5555 -3.5253 -3.5253 -2.4771 -2.4771 -2.4382 -2.4382 -0.8979 -0.8979 -0.6465 -0.6465 -0.3723 -0.3723 0.0481 0.0481 0.3496 0.3496 0.6157 0.6157 0.9952 0.9952 1.1446 1.1446 1.2375 1.2375 1.7101 1.7101 4.4018 4.4018 4.5697 4.5697 5.8832 5.8832 6.4521 6.4521 k = 0.0946-0.0000 0.2449 ( 9306 PWs) bands (ev): -13.0775 -13.0775 -12.7060 -12.7060 -9.9936 -9.9936 -9.7751 -9.7751 -5.9040 -5.9040 -5.7943 -5.7943 -5.4867 -5.4867 -5.4596 -5.4596 -4.5047 -4.5047 -4.3692 -4.3692 -3.9674 -3.9674 -3.8962 -3.8962 -3.5562 -3.5562 -3.5221 -3.5221 -2.4702 -2.4702 -2.4283 -2.4283 -0.9014 -0.9014 -0.6647 -0.6647 -0.3726 -0.3726 0.0400 0.0400 0.3408 0.3408 0.6001 0.6001 1.0044 1.0044 1.1390 1.1390 1.2270 1.2270 1.6907 1.6907 4.4081 4.4081 4.5731 4.5731 5.9118 5.9118 6.4696 6.4696 k = 0.1081-0.0000 0.2449 ( 9304 PWs) bands (ev): -13.0736 -13.0736 -12.7071 -12.7071 -9.9904 -9.9904 -9.7748 -9.7748 -5.9032 -5.9032 -5.7951 -5.7951 -5.4862 -5.4862 -5.4589 -5.4589 -4.5039 -4.5039 -4.3701 -4.3701 -3.9670 -3.9670 -3.8968 -3.8968 -3.5567 -3.5567 -3.5187 -3.5187 -2.4621 -2.4621 -2.4172 -2.4172 -0.9056 -0.9056 -0.6852 -0.6852 -0.3730 -0.3730 0.0307 0.0307 0.3307 0.3307 0.5836 0.5836 1.0137 1.0137 1.1313 1.1313 1.2169 1.2169 1.6692 1.6692 4.4151 4.4151 4.5767 4.5767 5.9435 5.9435 6.4883 6.4883 k = 0.1216-0.0000 0.2449 ( 9308 PWs) bands (ev): -13.0691 -13.0691 -12.7082 -12.7082 -9.9869 -9.9869 -9.7745 -9.7745 -5.9023 -5.9023 -5.7960 -5.7960 -5.4856 -5.4856 -5.4581 -5.4581 -4.5030 -4.5030 -4.3711 -4.3711 -3.9666 -3.9666 -3.8976 -3.8976 -3.5570 -3.5570 -3.5153 -3.5153 -2.4528 -2.4528 -2.4047 -2.4047 -0.9105 -0.9105 -0.7079 -0.7079 -0.3733 -0.3733 0.0204 0.0204 0.3196 0.3196 0.5664 0.5664 1.0227 1.0227 1.1214 1.1214 1.2076 1.2076 1.6457 1.6457 4.4230 4.4230 4.5806 4.5806 5.9780 5.9780 6.5076 6.5076 k = 0.1351-0.0000 0.2449 ( 9310 PWs) bands (ev): -13.0642 -13.0642 -12.7096 -12.7096 -9.9829 -9.9829 -9.7743 -9.7743 -5.9013 -5.9013 -5.7970 -5.7970 -5.4850 -5.4850 -5.4574 -5.4574 -4.5020 -4.5020 -4.3722 -4.3722 -3.9660 -3.9660 -3.8984 -3.8984 -3.5571 -3.5571 -3.5119 -3.5119 -2.4422 -2.4422 -2.3910 -2.3910 -0.9162 -0.9162 -0.7323 -0.7323 -0.3737 -0.3737 0.0089 0.0089 0.3075 0.3075 0.5486 0.5486 1.0311 1.0311 1.1092 1.1092 1.1997 1.1997 1.6207 1.6207 4.4317 4.4317 4.5847 4.5847 6.0145 6.0145 6.5269 6.5269 k = 0.1486-0.0000 0.2449 ( 9314 PWs) bands (ev): -13.0589 -13.0589 -12.7111 -12.7111 -9.9786 -9.9786 -9.7740 -9.7740 -5.9003 -5.9003 -5.7981 -5.7981 -5.4844 -5.4844 -5.4565 -5.4565 -4.5009 -4.5009 -4.3734 -4.3734 -3.9655 -3.9655 -3.8993 -3.8993 -3.5570 -3.5570 -3.5084 -3.5084 -2.4305 -2.4305 -2.3762 -2.3762 -0.9228 -0.9228 -0.7583 -0.7583 -0.3741 -0.3741 -0.0035 -0.0035 0.2945 0.2945 0.5303 0.5303 1.0378 1.0378 1.0958 1.0958 1.1931 1.1931 1.5945 1.5945 4.4412 4.4412 4.5890 4.5890 6.0525 6.0525 6.5452 6.5452 k = 0.1622-0.0000 0.2449 ( 9322 PWs) bands (ev): -13.0531 -13.0531 -12.7128 -12.7128 -9.9740 -9.9740 -9.7737 -9.7737 -5.8991 -5.8991 -5.7993 -5.7993 -5.4836 -5.4836 -5.4557 -5.4557 -4.4997 -4.4997 -4.3748 -4.3748 -3.9649 -3.9649 -3.9003 -3.9003 -3.5566 -3.5566 -3.5051 -3.5051 -2.4176 -2.4176 -2.3602 -2.3602 -0.9303 -0.9303 -0.7856 -0.7856 -0.3746 -0.3746 -0.0167 -0.0167 0.2808 0.2808 0.5116 0.5116 1.0404 1.0404 1.0839 1.0839 1.1878 1.1878 1.5675 1.5675 4.4513 4.4513 4.5936 4.5936 6.0909 6.0909 6.5620 6.5620 k = 0.1757-0.0000 0.2449 ( 9320 PWs) bands (ev): -13.0469 -13.0469 -12.7147 -12.7147 -9.9691 -9.9691 -9.7735 -9.7735 -5.8979 -5.8979 -5.8005 -5.8005 -5.4828 -5.4828 -5.4549 -5.4549 -4.4984 -4.4984 -4.3763 -4.3763 -3.9642 -3.9642 -3.9013 -3.9013 -3.5560 -3.5560 -3.5018 -3.5018 -2.4036 -2.4036 -2.3431 -2.3431 -0.9388 -0.9388 -0.8138 -0.8138 -0.3753 -0.3753 -0.0307 -0.0307 0.2665 0.2665 0.4924 0.4924 1.0343 1.0343 1.0785 1.0785 1.1834 1.1834 1.5401 1.5401 4.4622 4.4622 4.5985 4.5985 6.1289 6.1289 6.5767 6.5767 k = 0.1892-0.0000 0.2449 ( 9322 PWs) bands (ev): -13.0403 -13.0403 -12.7168 -12.7168 -9.9639 -9.9639 -9.7734 -9.7734 -5.8965 -5.8965 -5.8019 -5.8019 -5.4820 -5.4820 -5.4540 -5.4540 -4.4970 -4.4970 -4.3779 -4.3779 -3.9635 -3.9635 -3.9025 -3.9025 -3.5552 -3.5552 -3.4986 -3.4986 -2.3884 -2.3884 -2.3251 -2.3251 -0.9483 -0.9483 -0.8425 -0.8425 -0.3761 -0.3761 -0.0452 -0.0452 0.2515 0.2515 0.4729 0.4729 1.0196 1.0196 1.0799 1.0799 1.1797 1.1797 1.5127 1.5127 4.4737 4.4737 4.6037 4.6037 6.1651 6.1651 6.5889 6.5889 k = 0.2027-0.0000 0.2449 ( 9338 PWs) bands (ev): -13.0333 -13.0333 -12.7191 -12.7191 -9.9584 -9.9584 -9.7734 -9.7734 -5.8951 -5.8951 -5.8034 -5.8034 -5.4811 -5.4811 -5.4533 -5.4533 -4.4955 -4.4955 -4.3797 -4.3797 -3.9627 -3.9627 -3.9037 -3.9037 -3.5542 -3.5542 -3.4955 -3.4955 -2.3723 -2.3723 -2.3061 -2.3061 -0.9590 -0.9590 -0.8715 -0.8715 -0.3772 -0.3772 -0.0600 -0.0600 0.2360 0.2360 0.4529 0.4529 1.0008 1.0008 1.0835 1.0835 1.1766 1.1766 1.4857 1.4857 4.4858 4.4858 4.6094 4.6094 6.1977 6.1977 6.5989 6.5989 k = 0.2162-0.0000 0.2449 ( 9330 PWs) bands (ev): -13.0260 -13.0260 -12.7217 -12.7217 -9.9526 -9.9526 -9.7734 -9.7734 -5.8936 -5.8936 -5.8049 -5.8049 -5.4801 -5.4801 -5.4525 -5.4525 -4.4940 -4.4940 -4.3816 -4.3816 -3.9619 -3.9619 -3.9049 -3.9049 -3.5529 -3.5529 -3.4927 -3.4927 -2.3551 -2.3551 -2.2863 -2.2863 -0.9709 -0.9709 -0.9002 -0.9002 -0.3786 -0.3786 -0.0751 -0.0751 0.2200 0.2200 0.4325 0.4325 0.9805 0.9805 1.0868 1.0868 1.1743 1.1743 1.4597 1.4597 4.4985 4.4985 4.6156 4.6156 6.2246 6.2246 6.6074 6.6074 k = 0.2297-0.0000 0.2449 ( 9338 PWs) bands (ev): -13.0183 -13.0183 -12.7244 -12.7244 -9.9467 -9.9467 -9.7735 -9.7735 -5.8921 -5.8921 -5.8066 -5.8066 -5.4791 -5.4791 -5.4518 -5.4518 -4.4923 -4.4923 -4.3836 -4.3836 -3.9610 -3.9610 -3.9063 -3.9063 -3.5515 -3.5515 -3.4900 -3.4900 -2.3370 -2.3370 -2.2658 -2.2658 -0.9841 -0.9841 -0.9282 -0.9282 -0.3803 -0.3803 -0.0901 -0.0901 0.2034 0.2034 0.4116 0.4116 0.9599 0.9599 1.0884 1.0884 1.1730 1.1730 1.4351 1.4351 4.5118 4.5118 4.6225 4.6225 6.2434 6.2434 6.6158 6.6158 k = 0.2432-0.0000 0.2449 ( 9338 PWs) bands (ev): -13.0104 -13.0104 -12.7275 -12.7275 -9.9405 -9.9405 -9.7738 -9.7738 -5.8905 -5.8905 -5.8083 -5.8083 -5.4780 -5.4780 -5.4511 -5.4511 -4.4905 -4.4905 -4.3858 -4.3858 -3.9601 -3.9601 -3.9077 -3.9077 -3.5499 -3.5499 -3.4876 -3.4876 -2.3181 -2.3181 -2.2447 -2.2447 -0.9991 -0.9991 -0.9548 -0.9548 -0.3824 -0.3824 -0.1050 -0.1050 0.1863 0.1863 0.3903 0.3903 0.9395 0.9395 1.0874 1.0874 1.1730 1.1730 1.4122 1.4122 4.5256 4.5256 4.6302 4.6302 6.2517 6.2517 6.6257 6.6257 k = 0.2568-0.0000 0.2449 ( 9340 PWs) bands (ev): -13.0021 -13.0021 -12.7307 -12.7307 -9.9342 -9.9342 -9.7742 -9.7742 -5.8888 -5.8888 -5.8101 -5.8101 -5.4769 -5.4769 -5.4506 -5.4506 -4.4886 -4.4886 -4.3880 -4.3880 -3.9591 -3.9591 -3.9091 -3.9091 -3.5481 -3.5481 -3.4854 -3.4854 -2.2985 -2.2985 -2.2232 -2.2232 -1.0163 -1.0163 -0.9790 -0.9790 -0.3848 -0.3848 -0.1196 -0.1196 0.1687 0.1687 0.3687 0.3687 0.9196 0.9196 1.0833 1.0833 1.1745 1.1745 1.3915 1.3915 4.5399 4.5399 4.6389 4.6389 6.2481 6.2481 6.6371 6.6371 k = 0.2703-0.0000 0.2449 ( 9328 PWs) bands (ev): -12.9936 -12.9936 -12.7343 -12.7343 -9.9277 -9.9277 -9.7748 -9.7748 -5.8870 -5.8870 -5.8120 -5.8120 -5.4758 -5.4758 -5.4500 -5.4500 -4.4867 -4.4867 -4.3904 -4.3904 -3.9581 -3.9581 -3.9106 -3.9106 -3.5461 -3.5461 -3.4835 -3.4835 -2.2783 -2.2783 -2.2014 -2.2014 -1.0359 -1.0359 -1.0002 -1.0002 -0.3877 -0.3877 -0.1339 -0.1339 0.1506 0.1506 0.3468 0.3468 0.9007 0.9007 1.0758 1.0758 1.1775 1.1775 1.3732 1.3732 4.5547 4.5547 4.6486 4.6486 6.2330 6.2330 6.6464 6.6464 k = 0.2838-0.0000 0.2449 ( 9326 PWs) bands (ev): -12.9849 -12.9849 -12.7381 -12.7381 -9.9211 -9.9211 -9.7755 -9.7755 -5.8852 -5.8852 -5.8139 -5.8139 -5.4746 -5.4746 -5.4496 -5.4496 -4.4846 -4.4846 -4.3929 -4.3929 -3.9570 -3.9570 -3.9121 -3.9121 -3.5439 -3.5439 -3.4818 -3.4818 -2.2577 -2.2577 -2.1795 -2.1795 -1.0574 -1.0574 -1.0188 -1.0188 -0.3909 -0.3909 -0.1479 -0.1479 0.1323 0.1323 0.3246 0.3246 0.8829 0.8829 1.0652 1.0652 1.1818 1.1818 1.3573 1.3573 4.5700 4.5700 4.6595 4.6595 6.2079 6.2079 6.6415 6.6415 k = 0.2973-0.0000 0.2449 ( 9336 PWs) bands (ev): -12.9760 -12.9760 -12.7422 -12.7422 -9.9144 -9.9144 -9.7764 -9.7764 -5.8834 -5.8834 -5.8159 -5.8159 -5.4734 -5.4734 -5.4493 -5.4493 -4.4825 -4.4825 -4.3955 -4.3955 -3.9560 -3.9560 -3.9136 -3.9136 -3.5416 -3.5416 -3.4805 -3.4805 -2.2367 -2.2367 -2.1577 -2.1577 -1.0793 -1.0793 -1.0355 -1.0355 -0.3944 -0.3944 -0.1617 -0.1617 0.1138 0.1138 0.3023 0.3023 0.8664 0.8664 1.0520 1.0520 1.1870 1.1870 1.3440 1.3440 4.5857 4.5857 4.6715 4.6715 6.1751 6.1751 6.6060 6.6060 k = 0.3108-0.0000 0.2449 ( 9346 PWs) bands (ev): -12.9669 -12.9669 -12.7465 -12.7465 -9.9076 -9.9076 -9.7776 -9.7776 -5.8814 -5.8814 -5.8180 -5.8180 -5.4722 -5.4722 -5.4490 -5.4490 -4.4803 -4.4803 -4.3982 -4.3982 -3.9548 -3.9548 -3.9152 -3.9152 -3.5391 -3.5391 -3.4795 -3.4795 -2.2156 -2.2156 -2.1363 -2.1363 -1.1006 -1.1006 -1.0513 -1.0513 -0.3982 -0.3982 -0.1753 -0.1753 0.0955 0.0955 0.2799 0.2799 0.8513 0.8513 1.0366 1.0366 1.1928 1.1928 1.3328 1.3328 4.6020 4.6020 4.6846 4.6846 6.1370 6.1370 6.5456 6.5456 k = 0.3243-0.0000 0.2449 ( 9346 PWs) bands (ev): -12.9577 -12.9577 -12.7512 -12.7512 -9.9008 -9.9008 -9.7789 -9.7789 -5.8795 -5.8795 -5.8201 -5.8201 -5.4710 -5.4710 -5.4488 -5.4488 -4.4780 -4.4780 -4.4010 -4.4010 -3.9537 -3.9537 -3.9168 -3.9168 -3.5365 -3.5365 -3.4789 -3.4789 -2.1945 -2.1945 -2.1155 -2.1155 -1.1206 -1.1206 -1.0662 -1.0662 -0.4022 -0.4022 -0.1890 -0.1890 0.0777 0.0777 0.2576 0.2576 0.8378 0.8378 1.0198 1.0198 1.1990 1.1990 1.3237 1.3237 4.6187 4.6187 4.6988 4.6988 6.0957 6.0957 6.4753 6.4753 k = 0.3378-0.0000 0.2449 ( 9348 PWs) bands (ev): -12.9484 -12.9484 -12.7561 -12.7561 -9.8940 -9.8940 -9.7805 -9.7805 -5.8774 -5.8774 -5.8222 -5.8222 -5.4697 -5.4697 -5.4488 -5.4488 -4.4756 -4.4756 -4.4039 -4.4039 -3.9525 -3.9525 -3.9184 -3.9184 -3.5338 -3.5338 -3.4785 -3.4785 -2.1735 -2.1735 -2.0955 -2.0955 -1.1388 -1.1388 -1.0805 -1.0805 -0.4063 -0.4063 -0.2029 -0.2029 0.0607 0.0607 0.2354 0.2354 0.8259 0.8259 1.0019 1.0019 1.2053 1.2053 1.3162 1.3162 4.6361 4.6361 4.7140 4.7140 6.0527 6.0527 6.4023 6.4023 k = 0.3514-0.0000 0.2449 ( 9364 PWs) bands (ev): -12.9390 -12.9390 -12.7614 -12.7614 -9.8872 -9.8872 -9.7824 -9.7824 -5.8754 -5.8754 -5.8244 -5.8244 -5.4685 -5.4685 -5.4488 -5.4488 -4.4731 -4.4731 -4.4068 -4.4068 -3.9513 -3.9513 -3.9200 -3.9200 -3.5309 -3.5309 -3.4785 -3.4785 -2.1529 -2.1529 -2.0767 -2.0767 -1.1550 -1.1550 -1.0941 -1.0941 -0.4102 -0.4102 -0.2173 -0.2173 0.0450 0.0450 0.2135 0.2135 0.8158 0.8158 0.9835 0.9835 1.2117 1.2117 1.3101 1.3101 4.6540 4.6540 4.7298 4.7298 6.0094 6.0094 6.3294 6.3294 k = 0.3649-0.0000 0.2449 ( 9368 PWs) bands (ev): -12.9296 -12.9296 -12.7669 -12.7669 -9.8805 -9.8805 -9.7844 -9.7844 -5.8733 -5.8733 -5.8267 -5.8267 -5.4672 -5.4672 -5.4490 -5.4490 -4.4706 -4.4706 -4.4098 -4.4098 -3.9501 -3.9501 -3.9215 -3.9215 -3.5280 -3.5280 -3.4788 -3.4788 -2.1328 -2.1328 -2.0592 -2.0592 -1.1690 -1.1690 -1.1070 -1.1070 -0.4140 -0.4140 -0.2323 -0.2323 0.0311 0.0311 0.1919 0.1919 0.8074 0.8074 0.9650 0.9650 1.2180 1.2180 1.3050 1.3050 4.6725 4.6725 4.7461 4.7461 5.9669 5.9669 6.2580 6.2580 k = 0.3784-0.0000 0.2449 ( 9376 PWs) bands (ev): -12.9201 -12.9201 -12.7728 -12.7728 -9.8738 -9.8738 -9.7868 -9.7868 -5.8711 -5.8711 -5.8290 -5.8290 -5.4659 -5.4659 -5.4492 -5.4492 -4.4680 -4.4680 -4.4129 -4.4129 -3.9489 -3.9489 -3.9231 -3.9231 -3.5250 -3.5250 -3.4794 -3.4794 -2.1135 -2.1135 -2.0433 -2.0433 -1.1806 -1.1806 -1.1190 -1.1190 -0.4173 -0.4173 -0.2481 -0.2481 0.0193 0.0193 0.1707 0.1707 0.8008 0.8008 0.9465 0.9465 1.2243 1.2243 1.3007 1.3007 4.6915 4.6915 4.7625 4.7625 5.9264 5.9264 6.1889 6.1889 k = 0.3919-0.0000 0.2449 ( 9366 PWs) bands (ev): -12.9107 -12.9107 -12.7789 -12.7789 -9.8672 -9.8672 -9.7894 -9.7894 -5.8689 -5.8689 -5.8313 -5.8313 -5.4646 -5.4646 -5.4495 -5.4495 -4.4653 -4.4653 -4.4160 -4.4160 -3.9476 -3.9476 -3.9247 -3.9247 -3.5219 -3.5219 -3.4804 -3.4804 -2.0950 -2.0950 -2.0293 -2.0293 -1.1900 -1.1900 -1.1303 -1.1303 -0.4199 -0.4199 -0.2646 -0.2646 0.0098 0.0098 0.1501 0.1501 0.7960 0.7960 0.9285 0.9285 1.2304 1.2304 1.2969 1.2969 4.7108 4.7108 4.7785 4.7785 5.8885 5.8885 6.1230 6.1230 k = 0.4054-0.0000 0.2449 ( 9372 PWs) bands (ev): -12.9012 -12.9012 -12.7854 -12.7854 -9.8607 -9.8607 -9.7923 -9.7923 -5.8667 -5.8667 -5.8336 -5.8336 -5.4634 -5.4634 -5.4499 -5.4499 -4.4625 -4.4625 -4.4191 -4.4191 -3.9463 -3.9463 -3.9263 -3.9263 -3.5187 -3.5187 -3.4816 -3.4816 -2.0776 -2.0776 -2.0174 -2.0174 -1.1969 -1.1969 -1.1408 -1.1408 -0.4216 -0.4216 -0.2817 -0.2817 0.0029 0.0029 0.1303 0.1303 0.7929 0.7929 0.9112 0.9112 1.2363 1.2363 1.2935 1.2935 4.7303 4.7303 4.7938 4.7938 5.8542 5.8542 6.0608 6.0608 k = 0.4189-0.0000 0.2449 ( 9368 PWs) bands (ev): -12.8919 -12.8919 -12.7921 -12.7921 -9.8544 -9.8544 -9.7955 -9.7955 -5.8644 -5.8644 -5.8360 -5.8360 -5.4621 -5.4621 -5.4505 -5.4505 -4.4597 -4.4597 -4.4223 -4.4223 -3.9450 -3.9450 -3.9278 -3.9278 -3.5156 -3.5156 -3.4831 -3.4831 -2.0614 -2.0614 -2.0076 -2.0076 -1.2017 -1.2017 -1.1504 -1.1504 -0.4222 -0.4222 -0.2992 -0.2992 -0.0014 -0.0014 0.1113 0.1113 0.7916 0.7916 0.8946 0.8946 1.2420 1.2420 1.2904 1.2904 4.7496 4.7496 4.8079 4.8079 5.8243 5.8243 6.0029 6.0029 k = 0.4324-0.0000 0.2449 ( 9370 PWs) bands (ev): -12.8826 -12.8826 -12.7992 -12.7992 -9.8482 -9.8482 -9.7989 -9.7989 -5.8622 -5.8622 -5.8384 -5.8384 -5.4609 -5.4609 -5.4511 -5.4511 -4.4568 -4.4568 -4.4255 -4.4255 -3.9437 -3.9437 -3.9294 -3.9294 -3.5124 -3.5124 -3.4849 -3.4849 -2.0465 -2.0465 -2.0001 -2.0001 -1.2043 -1.2043 -1.1593 -1.1593 -0.4214 -0.4214 -0.3167 -0.3167 -0.0031 -0.0031 0.0933 0.0933 0.7920 0.7920 0.8790 0.8790 1.2474 1.2474 1.2873 1.2873 4.7683 4.7683 4.8200 4.8200 5.7996 5.7996 5.9499 5.9499 k = 0.4459-0.0000 0.2449 ( 9374 PWs) bands (ev): -12.8734 -12.8734 -12.8065 -12.8065 -9.8422 -9.8422 -9.8027 -9.8027 -5.8599 -5.8599 -5.8408 -5.8408 -5.4597 -5.4597 -5.4518 -5.4518 -4.4538 -4.4538 -4.4287 -4.4287 -3.9423 -3.9423 -3.9309 -3.9309 -3.5092 -3.5092 -3.4869 -3.4869 -2.0332 -2.0332 -1.9950 -1.9950 -1.2050 -1.2050 -1.1675 -1.1675 -0.4190 -0.4190 -0.3337 -0.3337 -0.0024 -0.0024 0.0763 0.0763 0.7940 0.7940 0.8643 0.8643 1.2526 1.2526 1.2842 1.2842 4.7860 4.7860 4.8297 4.8297 5.7810 5.7810 5.9024 5.9024 k = 0.4595-0.0000 0.2449 ( 9380 PWs) bands (ev): -12.8644 -12.8644 -12.8140 -12.8140 -9.8364 -9.8364 -9.8067 -9.8067 -5.8575 -5.8575 -5.8432 -5.8432 -5.4585 -5.4585 -5.4525 -5.4525 -4.4508 -4.4508 -4.4319 -4.4319 -3.9410 -3.9410 -3.9324 -3.9324 -3.5060 -3.5060 -3.4892 -3.4892 -2.0215 -2.0215 -1.9922 -1.9922 -1.2040 -1.2040 -1.1750 -1.1750 -0.4148 -0.4148 -0.3500 -0.3500 0.0007 0.0007 0.0607 0.0607 0.7977 0.7977 0.8509 0.8509 1.2574 1.2574 1.2810 1.2810 4.8021 4.8021 4.8365 4.8365 5.7692 5.7692 5.8611 5.8611 k = 0.4730-0.0000 0.2449 ( 9380 PWs) bands (ev): -12.8555 -12.8555 -12.8219 -12.8219 -9.8309 -9.8309 -9.8110 -9.8110 -5.8552 -5.8552 -5.8456 -5.8456 -5.4574 -5.4574 -5.4534 -5.4534 -4.4477 -4.4477 -4.4351 -4.4351 -3.9396 -3.9396 -3.9339 -3.9339 -3.5030 -3.5030 -3.4916 -3.4916 -2.0116 -2.0116 -1.9917 -1.9917 -1.2016 -1.2016 -1.1818 -1.1818 -0.4088 -0.4088 -0.3651 -0.3651 0.0060 0.0060 0.0464 0.0464 0.8029 0.8029 0.8386 0.8386 1.2620 1.2620 1.2777 1.2777 4.8160 4.8160 4.8397 4.8397 5.7647 5.7647 5.8265 5.8265 k = 0.4865-0.0000 0.2449 ( 9376 PWs) bands (ev): -12.8468 -12.8468 -12.8299 -12.8299 -9.8255 -9.8255 -9.8156 -9.8156 -5.8528 -5.8528 -5.8480 -5.8480 -5.4563 -5.4563 -5.4543 -5.4543 -4.4446 -4.4446 -4.4383 -4.4383 -3.9382 -3.9382 -3.9353 -3.9353 -3.4999 -3.4999 -3.4942 -3.4942 -2.0036 -2.0036 -1.9935 -1.9935 -1.1980 -1.1980 -1.1880 -1.1880 -0.4007 -0.4007 -0.3788 -0.3788 0.0133 0.0133 0.0337 0.0337 0.8097 0.8097 0.8276 0.8276 1.2664 1.2664 1.2742 1.2742 4.8272 4.8272 4.8393 4.8393 5.7682 5.7682 5.7992 5.7992 k = 0.5000-0.0000 0.2449 ( 9376 PWs) bands (ev): -12.8382 -12.8382 -12.8382 -12.8382 -9.8204 -9.8204 -9.8204 -9.8204 -5.8504 -5.8504 -5.8504 -5.8504 -5.4553 -5.4553 -5.4553 -5.4553 -4.4415 -4.4415 -4.4415 -4.4415 -3.9368 -3.9368 -3.9368 -3.9368 -3.4970 -3.4970 -3.4970 -3.4970 -1.9975 -1.9975 -1.9975 -1.9975 -1.1934 -1.1934 -1.1934 -1.1934 -0.3907 -0.3907 -0.3907 -0.3907 0.0226 0.0226 0.0226 0.0226 0.8180 0.8180 0.8180 0.8180 1.2704 1.2704 1.2704 1.2704 4.8351 4.8351 4.8351 4.8351 5.7797 5.7797 5.7797 5.7797 Writing output data file HgSBr.save init_run : 0.68s CPU 0.86s WALL ( 1 calls) electrons : 268.13s CPU 271.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 268.12s CPU 271.70s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 248 calls) cegterg : 249.50s CPU 252.48s WALL ( 267 calls) Called by sum_band: Called by *egterg: h_psi : 167.01s CPU 170.10s WALL ( 4724 calls) s_psi : 6.38s CPU 6.31s WALL ( 4724 calls) g_psi : 0.26s CPU 0.30s WALL ( 4209 calls) cdiaghg : 65.61s CPU 65.74s WALL ( 4457 calls) cegterg:over : 11.14s CPU 11.28s WALL ( 4209 calls) cegterg:upda : 7.13s CPU 7.27s WALL ( 4209 calls) cegterg:last : 4.89s CPU 4.93s WALL ( 1046 calls) cdiaghg:chol : 2.85s CPU 2.86s WALL ( 4457 calls) cdiaghg:inve : 1.68s CPU 1.75s WALL ( 4457 calls) cdiaghg:para : 3.83s CPU 3.79s WALL ( 8914 calls) Called by h_psi: h_psi:vloc : 152.14s CPU 155.06s WALL ( 4724 calls) h_psi:vnl : 14.58s CPU 14.77s WALL ( 4724 calls) add_vuspsi : 7.24s CPU 7.46s WALL ( 4724 calls) General routines calbec : 7.33s CPU 7.29s WALL ( 4724 calls) fft : 0.05s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 145.39s CPU 148.29s WALL ( 834912 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.22s WALL ( 496 calls) Parallel routines fft_scatter : 89.25s CPU 91.83s WALL ( 834935 calls) PWSCF : 5m 1.30s CPU 5m31.98s WALL This run was terminated on: 4:31:52 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=